NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
627579 | 6cgx | 30412 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -6.558 1.879 -3.925 2 HA2 GLY 1 HA1 GLY 1 -6.880 2.548 -1.149 3 HA3 GLY 1 HA2 GLY 1 -7.933 1.501 -2.120 4 H CYS 2 H CYS 2 -4.370 1.856 -1.931 5 HA CYS 2 HA CYS 2 -4.026 -1.020 -2.034 6 HB3 CYS 2 HB2 CYS 2 -1.593 -0.133 -1.239 7 H CYS 3 H CYS 3 -3.737 1.468 0.511 8 HA CYS 3 HA CYS 3 -2.794 -0.248 2.563 9 HB3 CYS 3 HB2 CYS 3 -4.198 1.542 4.001 10 H SER 4 H SER 4 -6.039 0.360 1.314 11 HA SER 4 HA SER 4 -7.381 -1.009 3.493 12 HB3 SER 4 HB2 SER 4 -8.740 -0.856 0.851 13 HG SER 4 HG SER 4 -10.338 0.118 2.210 14 H ASP 5 H ASP 5 -6.082 -1.909 0.337 15 HA ASP 5 HA ASP 5 -7.262 -4.603 0.520 16 HB3 ASP 5 HB2 ASP 5 -5.171 -3.889 -1.512 17 HA PRO 6 HA PRO 6 -3.839 -6.390 2.665 18 HB3 PRO 6 HB2 PRO 6 -5.282 -8.109 3.188 19 HG3 PRO 6 HG2 PRO 6 -6.939 -8.791 1.693 20 HD3 PRO 6 HD2 PRO 6 -7.320 -6.510 1.706 21 H ARG 7 H ARG 7 -4.424 -6.936 -0.770 22 HA ARG 7 HA ARG 7 -2.071 -8.378 -1.400 23 HB3 ARG 7 HB2 ARG 7 -3.707 -6.386 -3.001 24 HG3 ARG 7 HG2 ARG 7 -1.509 -6.459 -4.031 25 HD3 ARG 7 HD2 ARG 7 -0.546 -8.468 -3.217 26 HE ARG 7 HE ARG 7 -2.031 -10.201 -2.863 27 HH11 ARG 7 HH11 ARG 7 -2.285 -9.046 -6.190 28 HH12 ARG 7 HH12 ARG 7 -3.365 -10.352 -6.688 29 HH21 ARG 7 HH21 ARG 7 -3.425 -11.882 -3.514 30 HH22 ARG 7 HH22 ARG 7 -4.010 -11.951 -5.179 31 H CYS 8 H CYS 8 -2.659 -4.838 -1.563 32 HA CYS 8 HA CYS 8 0.074 -4.222 -2.200 33 HB3 CYS 8 HB2 CYS 8 -0.708 -1.885 -1.266 34 H ASN 9 H ASN 9 -1.687 -4.705 0.804 35 HA ASN 9 HA ASN 9 0.265 -3.470 2.521 36 HB3 ASN 9 HB2 ASN 9 -1.444 -5.768 3.451 37 HD21 ASN 9 HD21 ASN 9 -0.954 -2.247 3.859 38 HD22 ASN 9 HD22 ASN 9 -0.655 -2.337 5.630 39 H TYR 10 H TYR 10 -0.348 -6.869 1.570 40 HA TYR 10 HA TYR 10 1.955 -7.837 3.050 41 HB3 TYR 10 HB2 TYR 10 0.415 -9.216 0.820 42 HD1 TYR 10 HD1 TYR 10 1.551 -10.195 4.235 43 HD2 TYR 10 HD2 TYR 10 1.899 -10.846 0.046 44 HE1 TYR 10 HE1 TYR 10 2.945 -12.174 4.666 45 HE2 TYR 10 HE2 TYR 10 3.294 -12.829 0.464 46 HH TYR 10 HH TYR 10 4.045 -14.266 2.010 47 H ALA 11 H ALA 11 1.314 -6.750 -0.233 48 HA ALA 11 HA ALA 11 3.809 -7.791 -1.309 49 HB1 ALA 11 HB1 ALA 11 1.698 -7.310 -2.624 50 HB2 ALA 11 HB2 ALA 11 2.107 -5.583 -2.484 51 HB3 ALA 11 HB3 ALA 11 3.211 -6.694 -3.329 52 H HIS 12 H HIS 12 2.652 -4.666 -0.063 53 HA HIS 12 HA HIS 12 5.491 -3.719 -0.176 54 HB3 HIS 12 HB2 HIS 12 4.857 -1.581 -0.751 55 HD2 HIS 12 HD2 HIS 12 1.567 -1.139 -1.936 56 HE1 HIS 12 HE1 HIS 12 3.066 -3.917 -4.768 57 HE2 HIS 12 HE2 HIS 12 1.228 -2.225 -4.281 58 HA PRO 13 HA PRO 13 3.952 -3.945 4.252 59 HB3 PRO 13 HB2 PRO 13 4.582 -6.149 4.499 60 HG3 PRO 13 HG2 PRO 13 6.195 -7.105 3.108 61 HD3 PRO 13 HD2 PRO 13 4.810 -6.149 1.521 62 H ALA 14 H ALA 14 7.165 -3.427 2.808 63 HA ALA 14 HA ALA 14 8.411 -2.129 4.976 64 HB1 ALA 14 HB1 ALA 14 9.708 -0.910 3.122 65 HB2 ALA 14 HB2 ALA 14 9.771 -2.689 3.148 66 HB3 ALA 14 HB3 ALA 14 8.713 -1.853 1.986 67 H ILE 15 H ILE 15 6.405 -0.748 2.352 68 HA ILE 15 HA ILE 15 5.598 1.424 4.149 69 HB ILE 15 HB ILE 15 6.200 3.159 2.331 70 HG13 ILE 15 HG12 ILE 15 6.955 1.164 0.793 71 HG21 ILE 15 HG21 ILE 15 7.299 2.585 4.682 72 HG22 ILE 15 HG22 ILE 15 8.687 2.160 3.650 73 HG23 ILE 15 HG23 ILE 15 8.000 3.802 3.588 74 HD11 ILE 15 HD11 ILE 15 8.938 3.421 0.925 75 HD12 ILE 15 HD12 ILE 15 8.311 2.549 -0.496 76 HD13 ILE 15 HD13 ILE 15 7.264 3.685 0.385 77 H CYS 16 H CYS 16 3.539 1.914 3.795 78 HA CYS 16 HA CYS 16 2.164 0.680 1.541 79 HB3 CYS 16 HB2 CYS 16 1.077 2.658 3.579 80 H GLY 17 H GLY 17 3.820 2.079 0.167 81 HA2 GLY 17 HA1 GLY 17 3.074 4.848 -0.243 82 HA3 GLY 17 HA2 GLY 17 4.109 3.863 -1.295 83 H GLY 18 H GLY 18 2.143 1.766 -1.735 84 HA2 GLY 18 HA1 GLY 18 0.941 2.732 -4.084 85 HA3 GLY 18 HA2 GLY 18 0.401 1.300 -3.189 86 H ALA 19 H ALA 19 -0.138 3.021 -0.771 87 HA ALA 19 HA ALA 19 -2.905 3.388 -1.175 88 HB1 ALA 19 HB1 ALA 19 -2.758 3.577 1.036 89 HB2 ALA 19 HB2 ALA 19 -0.996 3.818 0.927 90 HB3 ALA 19 HB3 ALA 19 -2.093 5.216 0.831 91 H ALA 20 H ALA 20 -0.189 5.569 -1.727 92 HA ALA 20 HA ALA 20 -1.564 8.022 -1.885 93 HB1 ALA 20 HB1 ALA 20 0.934 7.608 -2.008 94 HB2 ALA 20 HB2 ALA 20 0.697 7.222 -3.729 95 HB3 ALA 20 HB3 ALA 20 0.292 8.844 -3.115 96 H GLY 21 H GLY 21 -1.041 5.539 -4.409 97 HA2 GLY 21 HA1 GLY 21 -2.409 7.056 -6.456 98 HA3 GLY 21 HA2 GLY 21 -2.003 5.330 -6.513 99 H GLY 22 H GLY 22 -3.393 4.366 -4.307 100 HA2 GLY 22 HA1 GLY 22 -6.156 5.285 -4.413 101 HA3 GLY 22 HA2 GLY 22 -5.898 3.795 -5.341 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -6.441 1.940 -3.946 2 HA2 GLY 1 HA1 GLY 1 -6.887 2.525 -1.168 3 HA3 GLY 1 HA2 GLY 1 -7.892 1.503 -2.213 4 H CYS 2 H CYS 2 -4.337 1.845 -1.957 5 HA CYS 2 HA CYS 2 -4.006 -1.032 -2.059 6 HB3 CYS 2 HB2 CYS 2 -1.574 -0.158 -1.250 7 H CYS 3 H CYS 3 -3.723 1.454 0.489 8 HA CYS 3 HA CYS 3 -2.795 -0.264 2.546 9 HB3 CYS 3 HB2 CYS 3 -4.204 1.528 3.976 10 H SER 4 H SER 4 -6.031 0.349 1.276 11 HA SER 4 HA SER 4 -7.392 -1.013 3.447 12 HB3 SER 4 HB2 SER 4 -8.772 -0.908 0.833 13 HG SER 4 HG SER 4 -10.309 0.190 2.167 14 H ASP 5 H ASP 5 -6.070 -1.926 0.305 15 HA ASP 5 HA ASP 5 -7.251 -4.619 0.494 16 HB3 ASP 5 HB2 ASP 5 -5.154 -3.912 -1.534 17 HA PRO 6 HA PRO 6 -3.835 -6.393 2.660 18 HB3 PRO 6 HB2 PRO 6 -5.279 -8.111 3.187 19 HG3 PRO 6 HG2 PRO 6 -6.930 -8.801 1.691 20 HD3 PRO 6 HD2 PRO 6 -7.311 -6.520 1.690 21 H ARG 7 H ARG 7 -4.409 -6.958 -0.774 22 HA ARG 7 HA ARG 7 -2.054 -8.403 -1.390 23 HB3 ARG 7 HB2 ARG 7 -3.683 -6.418 -3.005 24 HG3 ARG 7 HG2 ARG 7 -1.481 -6.496 -4.026 25 HD3 ARG 7 HD2 ARG 7 -0.525 -8.505 -3.200 26 HE ARG 7 HE ARG 7 -1.982 -10.256 -2.859 27 HH11 ARG 7 HH11 ARG 7 -2.327 -9.034 -6.154 28 HH12 ARG 7 HH12 ARG 7 -3.432 -10.323 -6.645 29 HH21 ARG 7 HH21 ARG 7 -3.409 -11.915 -3.500 30 HH22 ARG 7 HH22 ARG 7 -4.043 -11.945 -5.149 31 H CYS 8 H CYS 8 -2.640 -4.864 -1.572 32 HA CYS 8 HA CYS 8 0.092 -4.248 -2.206 33 HB3 CYS 8 HB2 CYS 8 -0.695 -1.909 -1.268 34 H ASN 9 H ASN 9 -1.668 -4.725 0.798 35 HA ASN 9 HA ASN 9 0.283 -3.488 2.513 36 HB3 ASN 9 HB2 ASN 9 -0.965 -5.459 4.041 37 HD21 ASN 9 HD21 ASN 9 0.168 -3.396 4.920 38 HD22 ASN 9 HD22 ASN 9 -0.967 -2.083 5.393 39 H TYR 10 H TYR 10 -0.333 -6.889 1.571 40 HA TYR 10 HA TYR 10 1.969 -7.855 3.054 41 HB3 TYR 10 HB2 TYR 10 0.441 -9.245 0.823 42 HD1 TYR 10 HD1 TYR 10 1.297 -10.354 4.251 43 HD2 TYR 10 HD2 TYR 10 2.156 -10.726 0.100 44 HE1 TYR 10 HE1 TYR 10 2.677 -12.335 4.720 45 HE2 TYR 10 HE2 TYR 10 3.539 -12.710 0.558 46 HH TYR 10 HH TYR 10 4.136 -14.231 2.091 47 H ALA 11 H ALA 11 1.328 -6.777 -0.233 48 HA ALA 11 HA ALA 11 3.822 -7.825 -1.306 49 HB1 ALA 11 HB1 ALA 11 2.125 -5.618 -2.488 50 HB2 ALA 11 HB2 ALA 11 3.223 -6.737 -3.330 51 HB3 ALA 11 HB3 ALA 11 1.708 -7.343 -2.620 52 H HIS 12 H HIS 12 2.667 -4.691 -0.077 53 HA HIS 12 HA HIS 12 5.506 -3.750 -0.187 54 HB3 HIS 12 HB2 HIS 12 4.878 -1.615 -0.777 55 HD2 HIS 12 HD2 HIS 12 1.591 -1.170 -1.971 56 HE1 HIS 12 HE1 HIS 12 3.087 -3.973 -4.783 57 HE2 HIS 12 HE2 HIS 12 1.254 -2.270 -4.309 58 HA PRO 13 HA PRO 13 3.954 -3.947 4.238 59 HB3 PRO 13 HB2 PRO 13 4.576 -6.151 4.497 60 HG3 PRO 13 HG2 PRO 13 6.191 -7.119 3.119 61 HD3 PRO 13 HD2 PRO 13 4.814 -6.169 1.523 62 H ALA 14 H ALA 14 7.163 -3.434 2.789 63 HA ALA 14 HA ALA 14 8.416 -2.134 4.953 64 HB1 ALA 14 HB1 ALA 14 9.512 -0.814 2.882 65 HB2 ALA 14 HB2 ALA 14 9.924 -2.497 3.295 66 HB3 ALA 14 HB3 ALA 14 8.749 -2.159 2.001 67 H ILE 15 H ILE 15 6.405 -0.753 2.334 68 HA ILE 15 HA ILE 15 5.599 1.416 4.133 69 HB ILE 15 HB ILE 15 6.201 3.152 2.314 70 HG13 ILE 15 HG12 ILE 15 6.947 1.195 0.756 71 HG21 ILE 15 HG21 ILE 15 7.247 2.719 4.657 72 HG22 ILE 15 HG22 ILE 15 8.621 2.065 3.732 73 HG23 ILE 15 HG23 ILE 15 8.111 3.754 3.494 74 HD11 ILE 15 HD11 ILE 15 7.710 3.892 0.860 75 HD12 ILE 15 HD12 ILE 15 9.205 2.973 0.559 76 HD13 ILE 15 HD13 ILE 15 7.806 2.783 -0.526 77 H CYS 16 H CYS 16 3.539 1.906 3.781 78 HA CYS 16 HA CYS 16 2.167 0.675 1.524 79 HB3 CYS 16 HB2 CYS 16 1.075 2.646 3.568 80 H GLY 17 H GLY 17 3.821 2.085 0.156 81 HA2 GLY 17 HA1 GLY 17 3.069 4.854 -0.245 82 HA3 GLY 17 HA2 GLY 17 4.108 3.875 -1.297 83 H GLY 18 H GLY 18 2.151 1.776 -1.752 84 HA2 GLY 18 HA1 GLY 18 0.948 2.748 -4.098 85 HA3 GLY 18 HA2 GLY 18 0.410 1.310 -3.208 86 H ALA 19 H ALA 19 -0.139 3.015 -0.784 87 HA ALA 19 HA ALA 19 -2.906 3.382 -1.193 88 HB1 ALA 19 HB1 ALA 19 -1.002 3.805 0.915 89 HB2 ALA 19 HB2 ALA 19 -2.109 5.196 0.829 90 HB3 ALA 19 HB3 ALA 19 -2.760 3.550 1.019 91 H ALA 20 H ALA 20 -0.191 5.570 -1.721 92 HA ALA 20 HA ALA 20 -1.568 8.023 -1.866 93 HB1 ALA 20 HB1 ALA 20 0.969 7.448 -2.064 94 HB2 ALA 20 HB2 ALA 20 0.633 7.379 -3.810 95 HB3 ALA 20 HB3 ALA 20 0.321 8.879 -2.903 96 H GLY 21 H GLY 21 -1.137 5.487 -4.338 97 HA2 GLY 21 HA1 GLY 21 -2.407 7.018 -6.439 98 HA3 GLY 21 HA2 GLY 21 -2.101 5.270 -6.441 99 H GLY 22 H GLY 22 -3.553 4.419 -4.252 100 HA2 GLY 22 HA1 GLY 22 -6.260 5.505 -4.389 101 HA3 GLY 22 HA2 GLY 22 -6.083 3.976 -5.268 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -6.459 2.061 -3.888 2 HA2 GLY 1 HA1 GLY 1 -6.876 2.641 -1.104 3 HA3 GLY 1 HA2 GLY 1 -7.898 1.632 -2.144 4 H CYS 2 H CYS 2 -4.340 1.945 -1.901 5 HA CYS 2 HA CYS 2 -4.030 -0.933 -2.028 6 HB3 CYS 2 HB2 CYS 2 -1.589 -0.084 -1.218 7 H CYS 3 H CYS 3 -3.723 1.529 0.539 8 HA CYS 3 HA CYS 3 -2.804 -0.213 2.581 9 HB3 CYS 3 HB2 CYS 3 -4.197 1.578 4.028 10 H SER 4 H SER 4 -6.038 0.434 1.324 11 HA SER 4 HA SER 4 -7.404 -0.936 3.486 12 HB3 SER 4 HB2 SER 4 -8.141 0.288 0.866 13 HG SER 4 HG SER 4 -10.231 -0.698 0.981 14 H ASP 5 H ASP 5 -6.095 -1.832 0.335 15 HA ASP 5 HA ASP 5 -7.294 -4.520 0.503 16 HB3 ASP 5 HB2 ASP 5 -5.197 -3.810 -1.524 17 HA PRO 6 HA PRO 6 -3.885 -6.334 2.646 18 HB3 PRO 6 HB2 PRO 6 -5.340 -8.048 3.164 19 HG3 PRO 6 HG2 PRO 6 -6.999 -8.713 1.664 20 HD3 PRO 6 HD2 PRO 6 -7.366 -6.430 1.683 21 H ARG 7 H ARG 7 -4.473 -6.875 -0.790 22 HA ARG 7 HA ARG 7 -2.127 -8.327 -1.423 23 HB3 ARG 7 HB2 ARG 7 -3.629 -6.260 -3.074 24 HG3 ARG 7 HG2 ARG 7 -1.196 -7.475 -3.713 25 HD3 ARG 7 HD2 ARG 7 -2.094 -8.746 -5.815 26 HE ARG 7 HE ARG 7 -1.126 -9.697 -3.407 27 HH11 ARG 7 HH11 ARG 7 -3.524 -10.775 -5.764 28 HH12 ARG 7 HH12 ARG 7 -3.260 -12.491 -5.428 29 HH21 ARG 7 HH21 ARG 7 -0.791 -11.911 -2.980 30 HH22 ARG 7 HH22 ARG 7 -1.718 -13.131 -3.860 31 H CYS 8 H CYS 8 -2.692 -4.782 -1.577 32 HA CYS 8 HA CYS 8 0.043 -4.179 -2.213 33 HB3 CYS 8 HB2 CYS 8 -0.730 -1.843 -1.249 34 H ASN 9 H ASN 9 -1.712 -4.672 0.793 35 HA ASN 9 HA ASN 9 0.252 -3.460 2.512 36 HB3 ASN 9 HB2 ASN 9 -1.407 -5.747 3.502 37 HD21 ASN 9 HD21 ASN 9 -1.173 -2.185 3.708 38 HD22 ASN 9 HD22 ASN 9 -0.871 -2.150 5.480 39 H TYR 10 H TYR 10 -0.388 -6.848 1.545 40 HA TYR 10 HA TYR 10 1.915 -7.840 3.010 41 HB3 TYR 10 HB2 TYR 10 0.336 -9.187 0.786 42 HD1 TYR 10 HD1 TYR 10 1.566 -10.965 -0.023 43 HD2 TYR 10 HD2 TYR 10 1.777 -10.070 4.130 44 HE1 TYR 10 HE1 TYR 10 2.962 -12.960 0.328 45 HE2 TYR 10 HE2 TYR 10 3.175 -12.062 4.493 46 HH TYR 10 HH TYR 10 4.316 -13.719 3.534 47 H ALA 11 H ALA 11 1.268 -6.731 -0.265 48 HA ALA 11 HA ALA 11 3.753 -7.784 -1.356 49 HB1 ALA 11 HB1 ALA 11 2.065 -5.556 -2.512 50 HB2 ALA 11 HB2 ALA 11 3.154 -6.675 -3.367 51 HB3 ALA 11 HB3 ALA 11 1.636 -7.279 -2.658 52 H HIS 12 H HIS 12 2.621 -4.655 -0.097 53 HA HIS 12 HA HIS 12 5.467 -3.730 -0.207 54 HB3 HIS 12 HB2 HIS 12 4.851 -1.586 -0.778 55 HD2 HIS 12 HD2 HIS 12 1.569 -1.107 -1.964 56 HE1 HIS 12 HE1 HIS 12 3.036 -3.902 -4.798 57 HE2 HIS 12 HE2 HIS 12 1.219 -2.188 -4.310 58 HA PRO 13 HA PRO 13 3.923 -3.952 4.220 59 HB3 PRO 13 HB2 PRO 13 4.531 -6.162 4.461 60 HG3 PRO 13 HG2 PRO 13 6.135 -7.131 3.071 61 HD3 PRO 13 HD2 PRO 13 4.762 -6.158 1.485 62 H ALA 14 H ALA 14 7.132 -3.449 2.767 63 HA ALA 14 HA ALA 14 8.401 -2.177 4.938 64 HB1 ALA 14 HB1 ALA 14 9.093 -0.907 2.424 65 HB2 ALA 14 HB2 ALA 14 10.062 -1.979 3.465 66 HB3 ALA 14 HB3 ALA 14 8.971 -2.674 2.243 67 H ILE 15 H ILE 15 6.392 -0.759 2.335 68 HA ILE 15 HA ILE 15 5.605 1.401 4.156 69 HB ILE 15 HB ILE 15 6.214 3.148 2.352 70 HG13 ILE 15 HG12 ILE 15 7.017 1.041 0.883 71 HG21 ILE 15 HG21 ILE 15 7.249 2.754 4.675 72 HG22 ILE 15 HG22 ILE 15 8.594 1.989 3.798 73 HG23 ILE 15 HG23 ILE 15 8.190 3.695 3.493 74 HD11 ILE 15 HD11 ILE 15 7.493 2.629 -0.586 75 HD12 ILE 15 HD12 ILE 15 7.392 3.835 0.720 76 HD13 ILE 15 HD13 ILE 15 8.953 3.077 0.325 77 H CYS 16 H CYS 16 3.550 1.906 3.813 78 HA CYS 16 HA CYS 16 2.161 0.706 1.549 79 HB3 CYS 16 HB2 CYS 16 1.089 2.664 3.615 80 H GLY 17 H GLY 17 3.822 2.116 0.190 81 HA2 GLY 17 HA1 GLY 17 3.087 4.892 -0.184 82 HA3 GLY 17 HA2 GLY 17 4.115 3.917 -1.249 83 H GLY 18 H GLY 18 2.145 1.835 -1.718 84 HA2 GLY 18 HA1 GLY 18 0.941 2.835 -4.050 85 HA3 GLY 18 HA2 GLY 18 0.396 1.394 -3.172 86 H ALA 19 H ALA 19 -0.137 3.079 -0.732 87 HA ALA 19 HA ALA 19 -2.901 3.469 -1.133 88 HB1 ALA 19 HB1 ALA 19 -0.987 3.862 0.976 89 HB2 ALA 19 HB2 ALA 19 -2.093 5.254 0.909 90 HB3 ALA 19 HB3 ALA 19 -2.747 3.608 1.083 91 H ALA 20 H ALA 20 -0.172 5.641 -1.644 92 HA ALA 20 HA ALA 20 -1.528 8.105 -1.761 93 HB1 ALA 20 HB1 ALA 20 0.808 8.197 -1.834 94 HB2 ALA 20 HB2 ALA 20 0.906 7.041 -3.185 95 HB3 ALA 20 HB3 ALA 20 0.310 8.694 -3.469 96 H GLY 21 H GLY 21 -1.122 5.597 -4.264 97 HA2 GLY 21 HA1 GLY 21 -2.392 7.158 -6.340 98 HA3 GLY 21 HA2 GLY 21 -2.095 5.410 -6.365 99 H GLY 22 H GLY 22 -3.541 4.509 -4.214 100 HA2 GLY 22 HA1 GLY 22 -6.247 5.617 -4.328 101 HA3 GLY 22 HA2 GLY 22 -6.072 4.089 -5.209 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -6.379 2.151 -4.012 2 HA2 GLY 1 HA1 GLY 1 -6.870 2.676 -1.230 3 HA3 GLY 1 HA2 GLY 1 -7.859 1.681 -2.314 4 H CYS 2 H CYS 2 -4.309 2.009 -1.992 5 HA CYS 2 HA CYS 2 -3.980 -0.865 -2.153 6 HB3 CYS 2 HB2 CYS 2 -1.559 -0.014 -1.285 7 H CYS 3 H CYS 3 -3.734 1.562 0.454 8 HA CYS 3 HA CYS 3 -2.844 -0.204 2.489 9 HB3 CYS 3 HB2 CYS 3 -4.273 1.561 3.934 10 H SER 4 H SER 4 -6.057 0.445 1.178 11 HA SER 4 HA SER 4 -7.456 -0.962 3.296 12 HB3 SER 4 HB2 SER 4 -8.752 -0.758 0.629 13 HG SER 4 HG SER 4 -10.375 0.205 1.966 14 H ASP 5 H ASP 5 -6.084 -1.806 0.157 15 HA ASP 5 HA ASP 5 -7.273 -4.502 0.266 16 HB3 ASP 5 HB2 ASP 5 -5.142 -3.754 -1.711 17 HA PRO 6 HA PRO 6 -3.896 -6.330 2.446 18 HB3 PRO 6 HB2 PRO 6 -5.351 -8.058 2.912 19 HG3 PRO 6 HG2 PRO 6 -6.979 -8.710 1.371 20 HD3 PRO 6 HD2 PRO 6 -7.357 -6.429 1.416 21 H ARG 7 H ARG 7 -4.415 -6.818 -1.009 22 HA ARG 7 HA ARG 7 -2.052 -8.253 -1.617 23 HB3 ARG 7 HB2 ARG 7 -2.821 -6.193 -3.591 24 HG3 ARG 7 HG2 ARG 7 -1.541 -8.306 -4.085 25 HD3 ARG 7 HD2 ARG 7 -3.521 -10.127 -4.601 26 HE ARG 7 HE ARG 7 -1.389 -9.961 -2.625 27 HH11 ARG 7 HH11 ARG 7 -4.121 -11.854 -3.815 28 HH12 ARG 7 HH12 ARG 7 -3.491 -13.382 -3.189 29 HH21 ARG 7 HH21 ARG 7 -0.582 -11.935 -1.820 30 HH22 ARG 7 HH22 ARG 7 -1.497 -13.427 -2.062 31 H CYS 8 H CYS 8 -2.630 -4.709 -1.730 32 HA CYS 8 HA CYS 8 0.114 -4.084 -2.307 33 HB3 CYS 8 HB2 CYS 8 -0.686 -1.767 -1.327 34 H ASN 9 H ASN 9 -1.697 -4.626 0.657 35 HA ASN 9 HA ASN 9 0.230 -3.432 2.432 36 HB3 ASN 9 HB2 ASN 9 -1.665 -5.708 3.108 37 HD21 ASN 9 HD21 ASN 9 -0.730 -2.430 4.189 38 HD22 ASN 9 HD22 ASN 9 -0.391 -2.918 5.886 39 H TYR 10 H TYR 10 -0.379 -6.809 1.404 40 HA TYR 10 HA TYR 10 1.897 -7.815 2.901 41 HB3 TYR 10 HB2 TYR 10 0.193 -9.049 0.705 42 HD1 TYR 10 HD1 TYR 10 0.922 -10.987 -0.298 43 HD2 TYR 10 HD2 TYR 10 2.562 -9.923 3.481 44 HE1 TYR 10 HE1 TYR 10 2.403 -12.947 -0.395 45 HE2 TYR 10 HE2 TYR 10 4.048 -11.881 3.394 46 HH TYR 10 HH TYR 10 4.852 -13.535 2.113 47 H ALA 11 H ALA 11 1.313 -6.661 -0.372 48 HA ALA 11 HA ALA 11 3.823 -7.690 -1.426 49 HB1 ALA 11 HB1 ALA 11 3.261 -6.559 -3.433 50 HB2 ALA 11 HB2 ALA 11 1.730 -7.173 -2.763 51 HB3 ALA 11 HB3 ALA 11 2.151 -5.453 -2.588 52 H HIS 12 H HIS 12 2.653 -4.583 -0.146 53 HA HIS 12 HA HIS 12 5.495 -3.644 -0.187 54 HB3 HIS 12 HB2 HIS 12 4.881 -1.496 -0.741 55 HD2 HIS 12 HD2 HIS 12 1.616 -1.017 -1.977 56 HE1 HIS 12 HE1 HIS 12 3.151 -3.759 -4.828 57 HE2 HIS 12 HE2 HIS 12 1.315 -2.062 -4.346 58 HA PRO 13 HA PRO 13 3.868 -3.938 4.206 59 HB3 PRO 13 HB2 PRO 13 4.482 -6.149 4.426 60 HG3 PRO 13 HG2 PRO 13 6.117 -7.089 3.054 61 HD3 PRO 13 HD2 PRO 13 4.769 -6.101 1.456 62 H ALA 14 H ALA 14 7.102 -3.399 2.823 63 HA ALA 14 HA ALA 14 8.321 -2.152 5.036 64 HB1 ALA 14 HB1 ALA 14 8.669 -1.614 2.073 65 HB2 ALA 14 HB2 ALA 14 9.755 -1.007 3.348 66 HB3 ALA 14 HB3 ALA 14 9.589 -2.761 3.077 67 H ILE 15 H ILE 15 6.357 -0.708 2.416 68 HA ILE 15 HA ILE 15 5.526 1.423 4.250 69 HB ILE 15 HB ILE 15 6.160 3.198 2.480 70 HG13 ILE 15 HG12 ILE 15 6.967 1.182 0.950 71 HG21 ILE 15 HG21 ILE 15 7.931 3.813 3.788 72 HG22 ILE 15 HG22 ILE 15 7.218 2.567 4.838 73 HG23 ILE 15 HG23 ILE 15 8.624 2.173 3.820 74 HD11 ILE 15 HD11 ILE 15 7.091 3.399 0.099 75 HD12 ILE 15 HD12 ILE 15 8.425 3.816 1.204 76 HD13 ILE 15 HD13 ILE 15 8.693 2.654 -0.117 77 H CYS 16 H CYS 16 3.473 1.925 3.874 78 HA CYS 16 HA CYS 16 2.135 0.749 1.567 79 HB3 CYS 16 HB2 CYS 16 1.014 2.674 3.638 80 H GLY 17 H GLY 17 3.816 2.185 0.261 81 HA2 GLY 17 HA1 GLY 17 3.074 4.964 -0.090 82 HA3 GLY 17 HA2 GLY 17 4.129 4.009 -1.149 83 H GLY 18 H GLY 18 2.175 1.923 -1.680 84 HA2 GLY 18 HA1 GLY 18 1.013 2.950 -4.024 85 HA3 GLY 18 HA2 GLY 18 0.458 1.494 -3.176 86 H ALA 19 H ALA 19 -0.127 3.146 -0.723 87 HA ALA 19 HA ALA 19 -2.887 3.526 -1.170 88 HB1 ALA 19 HB1 ALA 19 -2.777 3.646 1.047 89 HB2 ALA 19 HB2 ALA 19 -1.016 3.898 0.978 90 HB3 ALA 19 HB3 ALA 19 -2.120 5.293 0.905 91 H ALA 20 H ALA 20 -0.160 5.721 -1.604 92 HA ALA 20 HA ALA 20 -1.531 8.178 -1.718 93 HB1 ALA 20 HB1 ALA 20 0.611 7.790 -3.727 94 HB2 ALA 20 HB2 ALA 20 0.428 9.028 -2.459 95 HB3 ALA 20 HB3 ALA 20 1.043 7.411 -2.042 96 H GLY 21 H GLY 21 -1.064 5.697 -4.236 97 HA2 GLY 21 HA1 GLY 21 -2.295 7.274 -6.325 98 HA3 GLY 21 HA2 GLY 21 -1.994 5.528 -6.360 99 H GLY 22 H GLY 22 -3.482 4.631 -4.216 100 HA2 GLY 22 HA1 GLY 22 -6.186 5.726 -4.374 101 HA3 GLY 22 HA2 GLY 22 -5.997 4.216 -5.283 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -6.519 2.051 -3.855 2 HA2 GLY 1 HA1 GLY 1 -6.921 2.651 -1.073 3 HA3 GLY 1 HA2 GLY 1 -7.955 1.644 -2.104 4 H CYS 2 H CYS 2 -4.392 1.927 -1.893 5 HA CYS 2 HA CYS 2 -4.111 -0.955 -1.990 6 HB3 CYS 2 HB2 CYS 2 -1.654 -0.121 -1.216 7 H CYS 3 H CYS 3 -3.752 1.532 0.545 8 HA CYS 3 HA CYS 3 -2.830 -0.198 2.596 9 HB3 CYS 3 HB2 CYS 3 -4.189 1.624 4.038 10 H SER 4 H SER 4 -6.070 0.468 1.366 11 HA SER 4 HA SER 4 -7.425 -0.864 3.558 12 HB3 SER 4 HB2 SER 4 -8.854 -0.756 0.978 13 HG SER 4 HG SER 4 -10.326 0.414 2.322 14 H ASP 5 H ASP 5 -6.159 -1.807 0.403 15 HA ASP 5 HA ASP 5 -7.384 -4.480 0.613 16 HB3 ASP 5 HB2 ASP 5 -5.302 -3.814 -1.444 17 HA PRO 6 HA PRO 6 -3.972 -6.307 2.740 18 HB3 PRO 6 HB2 PRO 6 -5.438 -7.999 3.290 19 HG3 PRO 6 HG2 PRO 6 -7.120 -8.664 1.816 20 HD3 PRO 6 HD2 PRO 6 -7.462 -6.377 1.815 21 H ARG 7 H ARG 7 -4.599 -6.872 -0.685 22 HA ARG 7 HA ARG 7 -2.277 -8.356 -1.326 23 HB3 ARG 7 HB2 ARG 7 -3.050 -6.347 -3.340 24 HG3 ARG 7 HG2 ARG 7 -3.710 -8.516 -4.560 25 HD3 ARG 7 HD2 ARG 7 -1.223 -7.230 -4.112 26 HE ARG 7 HE ARG 7 0.089 -8.964 -3.348 27 HH11 ARG 7 HH11 ARG 7 -2.272 -10.178 -5.675 28 HH12 ARG 7 HH12 ARG 7 -1.577 -11.804 -5.715 29 HH21 ARG 7 HH21 ARG 7 0.979 -11.062 -3.404 30 HH22 ARG 7 HH22 ARG 7 0.255 -12.301 -4.434 31 H CYS 8 H CYS 8 -2.805 -4.808 -1.512 32 HA CYS 8 HA CYS 8 -0.070 -4.242 -2.181 33 HB3 CYS 8 HB2 CYS 8 -0.805 -1.887 -1.242 34 H ASN 9 H ASN 9 -1.801 -4.681 0.846 35 HA ASN 9 HA ASN 9 0.193 -3.472 2.533 36 HB3 ASN 9 HB2 ASN 9 -1.079 -5.432 4.070 37 HD21 ASN 9 HD21 ASN 9 0.231 -3.183 4.619 38 HD22 ASN 9 HD22 ASN 9 -0.892 -1.936 5.261 39 H TYR 10 H TYR 10 -0.494 -6.864 1.610 40 HA TYR 10 HA TYR 10 1.810 -7.866 3.066 41 HB3 TYR 10 HB2 TYR 10 0.118 -9.177 0.902 42 HD1 TYR 10 HD1 TYR 10 0.637 -11.347 0.259 43 HD2 TYR 10 HD2 TYR 10 2.476 -9.751 3.746 44 HE1 TYR 10 HE1 TYR 10 2.053 -13.350 0.419 45 HE2 TYR 10 HE2 TYR 10 3.898 -11.748 3.919 46 HH TYR 10 HH TYR 10 4.445 -13.709 3.051 47 H ALA 11 H ALA 11 1.147 -6.785 -0.217 48 HA ALA 11 HA ALA 11 3.609 -7.878 -1.317 49 HB1 ALA 11 HB1 ALA 11 3.005 -6.787 -3.335 50 HB2 ALA 11 HB2 ALA 11 1.488 -7.364 -2.605 51 HB3 ALA 11 HB3 ALA 11 1.935 -5.645 -2.484 52 H HIS 12 H HIS 12 2.523 -4.723 -0.081 53 HA HIS 12 HA HIS 12 5.377 -3.829 -0.229 54 HB3 HIS 12 HB2 HIS 12 4.777 -1.685 -0.817 55 HD2 HIS 12 HD2 HIS 12 1.484 -1.189 -1.969 56 HE1 HIS 12 HE1 HIS 12 2.895 -4.021 -4.795 57 HE2 HIS 12 HE2 HIS 12 1.098 -2.287 -4.301 58 HA PRO 13 HA PRO 13 3.877 -3.991 4.215 59 HB3 PRO 13 HB2 PRO 13 4.465 -6.205 4.473 60 HG3 PRO 13 HG2 PRO 13 6.045 -7.203 3.077 61 HD3 PRO 13 HD2 PRO 13 4.664 -6.233 1.495 62 H ALA 14 H ALA 14 7.076 -3.536 2.726 63 HA ALA 14 HA ALA 14 8.377 -2.253 4.871 64 HB1 ALA 14 HB1 ALA 14 10.030 -1.988 3.387 65 HB2 ALA 14 HB2 ALA 14 8.974 -2.842 2.238 66 HB3 ALA 14 HB3 ALA 14 8.999 -1.062 2.270 67 H ILE 15 H ILE 15 6.358 -0.844 2.271 68 HA ILE 15 HA ILE 15 5.611 1.344 4.073 69 HB ILE 15 HB ILE 15 6.220 3.065 2.242 70 HG13 ILE 15 HG12 ILE 15 6.931 1.045 0.711 71 HG21 ILE 15 HG21 ILE 15 7.310 2.548 4.581 72 HG22 ILE 15 HG22 ILE 15 8.674 1.985 3.586 73 HG23 ILE 15 HG23 ILE 15 8.098 3.662 3.438 74 HD11 ILE 15 HD11 ILE 15 7.643 3.767 0.725 75 HD12 ILE 15 HD12 ILE 15 9.133 2.857 0.372 76 HD13 ILE 15 HD13 ILE 15 7.687 2.627 -0.640 77 H CYS 16 H CYS 16 3.556 1.868 3.745 78 HA CYS 16 HA CYS 16 2.134 0.654 1.510 79 HB3 CYS 16 HB2 CYS 16 1.104 2.649 3.561 80 H GLY 17 H GLY 17 3.797 2.030 0.117 81 HA2 GLY 17 HA1 GLY 17 3.087 4.810 -0.284 82 HA3 GLY 17 HA2 GLY 17 4.095 3.811 -1.346 83 H GLY 18 H GLY 18 2.097 1.745 -1.770 84 HA2 GLY 18 HA1 GLY 18 0.881 2.731 -4.103 85 HA3 GLY 18 HA2 GLY 18 0.331 1.305 -3.203 86 H ALA 19 H ALA 19 -0.159 3.027 -0.777 87 HA ALA 19 HA ALA 19 -2.924 3.439 -1.153 88 HB1 ALA 19 HB1 ALA 19 -2.071 5.246 0.852 89 HB2 ALA 19 HB2 ALA 19 -2.748 3.612 1.058 90 HB3 ALA 19 HB3 ALA 19 -0.986 3.837 0.930 91 H ALA 20 H ALA 20 -0.179 5.580 -1.721 92 HA ALA 20 HA ALA 20 -1.516 8.054 -1.859 93 HB1 ALA 20 HB1 ALA 20 0.840 7.014 -3.455 94 HB2 ALA 20 HB2 ALA 20 0.311 8.713 -3.442 95 HB3 ALA 20 HB3 ALA 20 0.880 7.948 -1.940 96 H GLY 21 H GLY 21 -1.161 5.504 -4.326 97 HA2 GLY 21 HA1 GLY 21 -2.429 7.048 -6.416 98 HA3 GLY 21 HA2 GLY 21 -2.155 5.295 -6.416 99 H GLY 22 H GLY 22 -3.592 4.480 -4.203 100 HA2 GLY 22 HA1 GLY 22 -6.283 5.612 -4.309 101 HA3 GLY 22 HA2 GLY 22 -6.143 4.077 -5.187 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.443 2.169 -3.921 2 HA2 GLY 1 HA1 GLY 1 -6.903 2.655 -1.127 3 HA3 GLY 1 HA2 GLY 1 -7.899 1.667 -2.211 4 H CYS 2 H CYS 2 -4.347 2.011 -1.930 5 HA CYS 2 HA CYS 2 -4.007 -0.860 -2.130 6 HB3 CYS 2 HB2 CYS 2 -1.580 -0.006 -1.282 7 H CYS 3 H CYS 3 -3.740 1.538 0.502 8 HA CYS 3 HA CYS 3 -2.815 -0.248 2.503 9 HB3 CYS 3 HB2 CYS 3 -4.234 1.490 3.990 10 H SER 4 H SER 4 -6.048 0.399 1.244 11 HA SER 4 HA SER 4 -7.412 -1.042 3.361 12 HB3 SER 4 HB2 SER 4 -8.751 -0.821 0.720 13 HG SER 4 HG SER 4 -10.349 0.139 2.088 14 H ASP 5 H ASP 5 -6.076 -1.841 0.195 15 HA ASP 5 HA ASP 5 -7.249 -4.544 0.284 16 HB3 ASP 5 HB2 ASP 5 -5.147 -3.760 -1.709 17 HA PRO 6 HA PRO 6 -3.834 -6.381 2.400 18 HB3 PRO 6 HB2 PRO 6 -5.275 -8.121 2.862 19 HG3 PRO 6 HG2 PRO 6 -6.919 -8.763 1.335 20 HD3 PRO 6 HD2 PRO 6 -7.308 -6.485 1.414 21 H ARG 7 H ARG 7 -4.395 -6.828 -1.054 22 HA ARG 7 HA ARG 7 -2.032 -8.242 -1.709 23 HB3 ARG 7 HB2 ARG 7 -2.866 -6.150 -3.634 24 HG3 ARG 7 HG2 ARG 7 -1.516 -8.218 -4.180 25 HD3 ARG 7 HD2 ARG 7 -3.746 -9.927 -4.679 26 HE ARG 7 HE ARG 7 -1.147 -10.147 -3.383 27 HH11 ARG 7 HH11 ARG 7 -4.234 -11.735 -4.024 28 HH12 ARG 7 HH12 ARG 7 -3.576 -13.363 -3.829 29 HH21 ARG 7 HH21 ARG 7 -0.304 -12.250 -3.133 30 HH22 ARG 7 HH22 ARG 7 -1.361 -13.653 -3.326 31 H CYS 8 H CYS 8 -2.630 -4.701 -1.772 32 HA CYS 8 HA CYS 8 0.103 -4.055 -2.373 33 HB3 CYS 8 HB2 CYS 8 -0.694 -1.753 -1.358 34 H ASN 9 H ASN 9 -1.668 -4.642 0.605 35 HA ASN 9 HA ASN 9 0.273 -3.460 2.371 36 HB3 ASN 9 HB2 ASN 9 -1.491 -5.783 3.156 37 HD21 ASN 9 HD21 ASN 9 -0.764 -2.352 3.870 38 HD22 ASN 9 HD22 ASN 9 -0.476 -2.617 5.625 39 H TYR 10 H TYR 10 -0.328 -6.827 1.309 40 HA TYR 10 HA TYR 10 1.972 -7.837 2.764 41 HB3 TYR 10 HB2 TYR 10 0.649 -9.254 0.445 42 HD1 TYR 10 HD1 TYR 10 0.341 -10.524 3.800 43 HD2 TYR 10 HD2 TYR 10 2.889 -10.432 0.396 44 HE1 TYR 10 HE1 TYR 10 1.537 -12.499 4.650 45 HE2 TYR 10 HE2 TYR 10 4.092 -12.407 1.235 46 HH TYR 10 HH TYR 10 4.270 -13.918 2.837 47 H ALA 11 H ALA 11 1.340 -6.648 -0.485 48 HA ALA 11 HA ALA 11 3.842 -7.650 -1.583 49 HB1 ALA 11 HB1 ALA 11 1.732 -7.130 -2.888 50 HB2 ALA 11 HB2 ALA 11 2.141 -5.408 -2.696 51 HB3 ALA 11 HB3 ALA 11 3.247 -6.495 -3.570 52 H HIS 12 H HIS 12 2.671 -4.564 -0.251 53 HA HIS 12 HA HIS 12 5.507 -3.610 -0.317 54 HB3 HIS 12 HB2 HIS 12 4.875 -1.457 -0.836 55 HD2 HIS 12 HD2 HIS 12 1.590 -0.984 -2.023 56 HE1 HIS 12 HE1 HIS 12 3.106 -3.680 -4.928 57 HE2 HIS 12 HE2 HIS 12 1.264 -2.002 -4.400 58 HA PRO 13 HA PRO 13 3.940 -3.967 4.092 59 HB3 PRO 13 HB2 PRO 13 4.568 -6.176 4.278 60 HG3 PRO 13 HG2 PRO 13 6.191 -7.092 2.873 61 HD3 PRO 13 HD2 PRO 13 4.817 -6.090 1.305 62 H ALA 14 H ALA 14 7.152 -3.394 2.677 63 HA ALA 14 HA ALA 14 8.392 -2.166 4.888 64 HB1 ALA 14 HB1 ALA 14 9.863 -1.084 3.264 65 HB2 ALA 14 HB2 ALA 14 9.559 -2.778 2.814 66 HB3 ALA 14 HB3 ALA 14 8.718 -1.466 1.955 67 H ILE 15 H ILE 15 6.389 -0.702 2.310 68 HA ILE 15 HA ILE 15 5.567 1.403 4.180 69 HB ILE 15 HB ILE 15 6.170 3.202 2.424 70 HG13 ILE 15 HG12 ILE 15 6.875 1.598 0.664 71 HG21 ILE 15 HG21 ILE 15 7.246 2.586 4.761 72 HG22 ILE 15 HG22 ILE 15 8.639 2.145 3.746 73 HG23 ILE 15 HG23 ILE 15 7.989 3.802 3.693 74 HD11 ILE 15 HD11 ILE 15 8.647 2.794 -0.183 75 HD12 ILE 15 HD12 ILE 15 7.953 3.958 0.973 76 HD13 ILE 15 HD13 ILE 15 9.400 3.019 1.413 77 H CYS 16 H CYS 16 3.509 1.896 3.836 78 HA CYS 16 HA CYS 16 2.147 0.742 1.534 79 HB3 CYS 16 HB2 CYS 16 1.042 2.636 3.640 80 H GLY 17 H GLY 17 3.803 2.202 0.221 81 HA2 GLY 17 HA1 GLY 17 3.044 4.980 -0.086 82 HA3 GLY 17 HA2 GLY 17 4.090 4.042 -1.169 83 H GLY 18 H GLY 18 2.141 1.953 -1.703 84 HA2 GLY 18 HA1 GLY 18 0.943 3.003 -4.018 85 HA3 GLY 18 HA2 GLY 18 0.407 1.533 -3.180 86 H ALA 19 H ALA 19 -0.156 3.153 -0.701 87 HA ALA 19 HA ALA 19 -2.922 3.526 -1.109 88 HB1 ALA 19 HB1 ALA 19 -1.027 3.881 1.020 89 HB2 ALA 19 HB2 ALA 19 -2.140 5.270 0.978 90 HB3 ALA 19 HB3 ALA 19 -2.785 3.617 1.108 91 H ALA 20 H ALA 20 -0.213 5.738 -1.550 92 HA ALA 20 HA ALA 20 -1.595 8.190 -1.617 93 HB1 ALA 20 HB1 ALA 20 0.375 9.032 -2.287 94 HB2 ALA 20 HB2 ALA 20 0.986 7.377 -2.055 95 HB3 ALA 20 HB3 ALA 20 0.489 7.925 -3.675 96 H GLY 21 H GLY 21 -1.151 5.741 -4.172 97 HA2 GLY 21 HA1 GLY 21 -2.417 7.340 -6.223 98 HA3 GLY 21 HA2 GLY 21 -2.108 5.595 -6.285 99 H GLY 22 H GLY 22 -3.563 4.667 -4.128 100 HA2 GLY 22 HA1 GLY 22 -6.273 5.749 -4.235 101 HA3 GLY 22 HA2 GLY 22 -6.089 4.252 -5.170 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -6.394 2.133 -3.930 2 HA2 GLY 1 HA1 GLY 1 -6.873 2.591 -1.134 3 HA3 GLY 1 HA2 GLY 1 -7.855 1.604 -2.232 4 H CYS 2 H CYS 2 -4.306 1.976 -1.929 5 HA CYS 2 HA CYS 2 -3.940 -0.889 -2.152 6 HB3 CYS 2 HB2 CYS 2 -1.527 -0.023 -1.282 7 H CYS 3 H CYS 3 -3.710 1.486 0.505 8 HA CYS 3 HA CYS 3 -2.782 -0.309 2.494 9 HB3 CYS 3 HB2 CYS 3 -4.224 1.403 3.987 10 H SER 4 H SER 4 -6.012 0.320 1.221 11 HA SER 4 HA SER 4 -7.376 -1.150 3.318 12 HB3 SER 4 HB2 SER 4 -8.593 -0.800 0.594 13 HG SER 4 HG SER 4 -10.370 -0.170 1.933 14 H ASP 5 H ASP 5 -6.015 -1.910 0.152 15 HA ASP 5 HA ASP 5 -7.164 -4.623 0.211 16 HB3 ASP 5 HB2 ASP 5 -5.059 -3.803 -1.764 17 HA PRO 6 HA PRO 6 -3.747 -6.449 2.330 18 HB3 PRO 6 HB2 PRO 6 -5.175 -8.205 2.768 19 HG3 PRO 6 HG2 PRO 6 -6.804 -8.849 1.226 20 HD3 PRO 6 HD2 PRO 6 -7.213 -6.575 1.323 21 H ARG 7 H ARG 7 -4.284 -6.870 -1.131 22 HA ARG 7 HA ARG 7 -1.906 -8.259 -1.786 23 HB3 ARG 7 HB2 ARG 7 -2.743 -6.157 -3.697 24 HG3 ARG 7 HG2 ARG 7 -1.424 -8.412 -4.062 25 HD3 ARG 7 HD2 ARG 7 -3.486 -9.828 -5.192 26 HE ARG 7 HE ARG 7 -1.668 -10.273 -3.038 27 HH11 ARG 7 HH11 ARG 7 -4.760 -11.398 -4.319 28 HH12 ARG 7 HH12 ARG 7 -4.578 -13.028 -3.660 29 HH21 ARG 7 HH21 ARG 7 -1.440 -12.378 -2.192 30 HH22 ARG 7 HH22 ARG 7 -2.707 -13.581 -2.461 31 H CYS 8 H CYS 8 -2.533 -4.721 -1.820 32 HA CYS 8 HA CYS 8 0.198 -4.047 -2.399 33 HB3 CYS 8 HB2 CYS 8 -0.627 -1.761 -1.369 34 H ASN 9 H ASN 9 -1.585 -4.676 0.563 35 HA ASN 9 HA ASN 9 0.337 -3.492 2.351 36 HB3 ASN 9 HB2 ASN 9 -1.073 -5.754 3.517 37 HD21 ASN 9 HD21 ASN 9 -1.966 -2.351 2.937 38 HD22 ASN 9 HD22 ASN 9 -1.765 -1.839 4.649 39 H TYR 10 H TYR 10 -0.231 -6.855 1.253 40 HA TYR 10 HA TYR 10 2.069 -7.860 2.715 41 HB3 TYR 10 HB2 TYR 10 0.811 -9.288 0.373 42 HD1 TYR 10 HD1 TYR 10 1.079 -9.946 4.037 43 HD2 TYR 10 HD2 TYR 10 2.332 -11.036 0.121 44 HE1 TYR 10 HE1 TYR 10 2.241 -11.907 4.962 45 HE2 TYR 10 HE2 TYR 10 3.496 -13.001 1.033 46 HH TYR 10 HH TYR 10 3.810 -14.290 2.840 47 H ALA 11 H ALA 11 1.446 -6.647 -0.528 48 HA ALA 11 HA ALA 11 3.963 -7.617 -1.621 49 HB1 ALA 11 HB1 ALA 11 1.855 -7.103 -2.932 50 HB2 ALA 11 HB2 ALA 11 2.250 -5.380 -2.724 51 HB3 ALA 11 HB3 ALA 11 3.370 -6.450 -3.601 52 H HIS 12 H HIS 12 2.758 -4.554 -0.266 53 HA HIS 12 HA HIS 12 5.586 -3.575 -0.308 54 HB3 HIS 12 HB2 HIS 12 4.937 -1.423 -0.811 55 HD2 HIS 12 HD2 HIS 12 1.657 -0.967 -2.013 56 HE1 HIS 12 HE1 HIS 12 3.211 -3.622 -4.933 57 HE2 HIS 12 HE2 HIS 12 1.354 -1.964 -4.401 58 HA PRO 13 HA PRO 13 3.996 -3.985 4.089 59 HB3 PRO 13 HB2 PRO 13 4.642 -6.191 4.258 60 HG3 PRO 13 HG2 PRO 13 6.282 -7.079 2.854 61 HD3 PRO 13 HD2 PRO 13 4.908 -6.076 1.288 62 H ALA 14 H ALA 14 7.212 -3.371 2.698 63 HA ALA 14 HA ALA 14 8.428 -2.154 4.927 64 HB1 ALA 14 HB1 ALA 14 9.140 -0.777 2.484 65 HB2 ALA 14 HB2 ALA 14 10.104 -1.894 3.482 66 HB3 ALA 14 HB3 ALA 14 9.032 -2.534 2.213 67 H ILE 15 H ILE 15 6.426 -0.683 2.351 68 HA ILE 15 HA ILE 15 5.578 1.397 4.235 69 HB ILE 15 HB ILE 15 6.174 3.217 2.499 70 HG13 ILE 15 HG12 ILE 15 6.904 1.621 0.735 71 HG21 ILE 15 HG21 ILE 15 7.964 3.825 3.796 72 HG22 ILE 15 HG22 ILE 15 7.248 2.573 4.837 73 HG23 ILE 15 HG23 ILE 15 8.653 2.184 3.815 74 HD11 ILE 15 HD11 ILE 15 8.190 3.216 -0.099 75 HD12 ILE 15 HD12 ILE 15 8.287 3.966 1.513 76 HD13 ILE 15 HD13 ILE 15 9.504 2.768 1.013 77 H CYS 16 H CYS 16 3.516 1.876 3.885 78 HA CYS 16 HA CYS 16 2.179 0.731 1.562 79 HB3 CYS 16 HB2 CYS 16 1.045 2.598 3.679 80 H GLY 17 H GLY 17 3.829 2.217 0.274 81 HA2 GLY 17 HA1 GLY 17 3.048 4.992 -0.013 82 HA3 GLY 17 HA2 GLY 17 4.108 4.074 -1.099 83 H GLY 18 H GLY 18 2.180 1.973 -1.662 84 HA2 GLY 18 HA1 GLY 18 0.986 3.032 -3.974 85 HA3 GLY 18 HA2 GLY 18 0.458 1.552 -3.155 86 H ALA 19 H ALA 19 -0.133 3.144 -0.664 87 HA ALA 19 HA ALA 19 -2.901 3.495 -1.083 88 HB1 ALA 19 HB1 ALA 19 -2.143 5.229 1.022 89 HB2 ALA 19 HB2 ALA 19 -2.778 3.571 1.137 90 HB3 ALA 19 HB3 ALA 19 -1.020 3.848 1.060 91 H ALA 20 H ALA 20 -0.209 5.736 -1.489 92 HA ALA 20 HA ALA 20 -1.613 8.174 -1.542 93 HB1 ALA 20 HB1 ALA 20 0.266 9.097 -2.564 94 HB2 ALA 20 HB2 ALA 20 0.925 7.675 -1.718 95 HB3 ALA 20 HB3 ALA 20 0.628 7.610 -3.473 96 H GLY 21 H GLY 21 -1.130 5.753 -4.116 97 HA2 GLY 21 HA1 GLY 21 -2.397 7.357 -6.162 98 HA3 GLY 21 HA2 GLY 21 -2.072 5.617 -6.235 99 H GLY 22 H GLY 22 -3.533 4.656 -4.099 100 HA2 GLY 22 HA1 GLY 22 -6.252 5.717 -4.214 101 HA3 GLY 22 HA2 GLY 22 -6.050 4.229 -5.158 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -6.619 1.932 -3.817 2 HA2 GLY 1 HA1 GLY 1 -6.959 2.593 -1.041 3 HA3 GLY 1 HA2 GLY 1 -8.023 1.575 -2.030 4 H CYS 2 H CYS 2 -4.454 1.831 -1.882 5 HA CYS 2 HA CYS 2 -4.199 -1.054 -1.935 6 HB3 CYS 2 HB2 CYS 2 -1.724 -0.228 -1.210 7 H CYS 3 H CYS 3 -3.783 1.471 0.553 8 HA CYS 3 HA CYS 3 -2.843 -0.231 2.619 9 HB3 CYS 3 HB2 CYS 3 -4.168 1.624 4.051 10 H SER 4 H SER 4 -6.096 0.440 1.424 11 HA SER 4 HA SER 4 -7.430 -0.845 3.658 12 HB3 SER 4 HB2 SER 4 -8.847 -0.731 1.052 13 HG SER 4 HG SER 4 -10.373 0.350 2.413 14 H ASP 5 H ASP 5 -6.217 -1.852 0.501 15 HA ASP 5 HA ASP 5 -7.457 -4.512 0.775 16 HB3 ASP 5 HB2 ASP 5 -5.401 -3.896 -1.323 17 HA PRO 6 HA PRO 6 -4.025 -6.327 2.883 18 HB3 PRO 6 HB2 PRO 6 -5.495 -7.998 3.484 19 HG3 PRO 6 HG2 PRO 6 -7.204 -8.676 2.046 20 HD3 PRO 6 HD2 PRO 6 -7.531 -6.387 2.011 21 H ARG 7 H ARG 7 -4.710 -6.951 -0.522 22 HA ARG 7 HA ARG 7 -2.407 -8.461 -1.172 23 HB3 ARG 7 HB2 ARG 7 -3.324 -6.417 -3.141 24 HG3 ARG 7 HG2 ARG 7 -3.751 -8.666 -4.409 25 HD3 ARG 7 HD2 ARG 7 -1.560 -6.911 -4.163 26 HE ARG 7 HE ARG 7 -0.584 -9.310 -3.240 27 HH11 ARG 7 HH11 ARG 7 -0.145 -7.421 -6.189 28 HH12 ARG 7 HH12 ARG 7 1.511 -7.983 -6.447 29 HH21 ARG 7 HH21 ARG 7 1.552 -10.031 -3.580 30 HH22 ARG 7 HH22 ARG 7 2.467 -9.455 -4.977 31 H CYS 8 H CYS 8 -2.914 -4.913 -1.410 32 HA CYS 8 HA CYS 8 -0.186 -4.377 -2.130 33 HB3 CYS 8 HB2 CYS 8 -0.893 -2.002 -1.213 34 H ASN 9 H ASN 9 -1.872 -4.754 0.930 35 HA ASN 9 HA ASN 9 0.155 -3.532 2.566 36 HB3 ASN 9 HB2 ASN 9 -1.373 -5.719 3.820 37 HD21 ASN 9 HD21 ASN 9 -1.315 -2.174 3.343 38 HD22 ASN 9 HD22 ASN 9 -1.159 -1.786 5.091 39 H TYR 10 H TYR 10 -0.567 -6.934 1.710 40 HA TYR 10 HA TYR 10 1.756 -7.925 3.145 41 HB3 TYR 10 HB2 TYR 10 0.077 -9.293 1.007 42 HD1 TYR 10 HD1 TYR 10 0.538 -11.528 0.538 43 HD2 TYR 10 HD2 TYR 10 2.359 -9.721 3.931 44 HE1 TYR 10 HE1 TYR 10 1.917 -13.539 0.861 45 HE2 TYR 10 HE2 TYR 10 3.744 -11.725 4.263 46 HH TYR 10 HH TYR 10 4.422 -13.671 3.380 47 H ALA 11 H ALA 11 1.045 -6.896 -0.142 48 HA ALA 11 HA ALA 11 3.482 -8.023 -1.264 49 HB1 ALA 11 HB1 ALA 11 2.852 -6.959 -3.290 50 HB2 ALA 11 HB2 ALA 11 1.343 -7.515 -2.527 51 HB3 ALA 11 HB3 ALA 11 1.804 -5.798 -2.441 52 H HIS 12 H HIS 12 2.436 -4.839 -0.066 53 HA HIS 12 HA HIS 12 5.293 -3.969 -0.272 54 HB3 HIS 12 HB2 HIS 12 4.701 -1.831 -0.888 55 HD2 HIS 12 HD2 HIS 12 1.398 -1.328 -2.005 56 HE1 HIS 12 HE1 HIS 12 2.745 -4.224 -4.797 57 HE2 HIS 12 HE2 HIS 12 0.970 -2.465 -4.310 58 HA PRO 13 HA PRO 13 3.859 -4.041 4.196 59 HB3 PRO 13 HB2 PRO 13 4.433 -6.254 4.484 60 HG3 PRO 13 HG2 PRO 13 5.986 -7.289 3.083 61 HD3 PRO 13 HD2 PRO 13 4.589 -6.338 1.506 62 H ALA 14 H ALA 14 7.038 -3.636 2.651 63 HA ALA 14 HA ALA 14 8.382 -2.328 4.754 64 HB1 ALA 14 HB1 ALA 14 8.976 -1.180 2.130 65 HB2 ALA 14 HB2 ALA 14 10.015 -2.108 3.239 66 HB3 ALA 14 HB3 ALA 14 8.927 -2.959 2.114 67 H ILE 15 H ILE 15 6.334 -0.947 2.163 68 HA ILE 15 HA ILE 15 5.630 1.277 3.940 69 HB ILE 15 HB ILE 15 6.223 2.962 2.073 70 HG13 ILE 15 HG12 ILE 15 6.824 1.236 0.385 71 HG21 ILE 15 HG21 ILE 15 7.319 2.570 4.388 72 HG22 ILE 15 HG22 ILE 15 8.642 1.826 3.459 73 HG23 ILE 15 HG23 ILE 15 8.201 3.526 3.173 74 HD11 ILE 15 HD11 ILE 15 7.846 3.517 0.261 75 HD12 ILE 15 HD12 ILE 15 9.272 2.856 1.098 76 HD13 ILE 15 HD13 ILE 15 8.803 2.222 -0.497 77 H CYS 16 H CYS 16 3.574 1.809 3.636 78 HA CYS 16 HA CYS 16 2.109 0.571 1.440 79 HB3 CYS 16 HB2 CYS 16 1.124 2.604 3.476 80 H GLY 17 H GLY 17 3.758 1.912 0.001 81 HA2 GLY 17 HA1 GLY 17 3.061 4.691 -0.433 82 HA3 GLY 17 HA2 GLY 17 4.047 3.669 -1.495 83 H GLY 18 H GLY 18 2.030 1.609 -1.856 84 HA2 GLY 18 HA1 GLY 18 0.784 2.567 -4.185 85 HA3 GLY 18 HA2 GLY 18 0.237 1.160 -3.253 86 H ALA 19 H ALA 19 -0.204 2.919 -0.849 87 HA ALA 19 HA ALA 19 -2.971 3.349 -1.190 88 HB1 ALA 19 HB1 ALA 19 -2.759 3.547 1.014 89 HB2 ALA 19 HB2 ALA 19 -0.998 3.767 0.859 90 HB3 ALA 19 HB3 ALA 19 -2.082 5.175 0.778 91 H ALA 20 H ALA 20 -0.219 5.457 -1.832 92 HA ALA 20 HA ALA 20 -1.537 7.941 -1.983 93 HB1 ALA 20 HB1 ALA 20 0.369 8.730 -2.976 94 HB2 ALA 20 HB2 ALA 20 0.993 7.204 -2.304 95 HB3 ALA 20 HB3 ALA 20 0.550 7.304 -4.026 96 H GLY 21 H GLY 21 -1.235 5.357 -4.424 97 HA2 GLY 21 HA1 GLY 21 -2.529 6.883 -6.512 98 HA3 GLY 21 HA2 GLY 21 -2.264 5.130 -6.494 99 H GLY 22 H GLY 22 -3.671 4.322 -4.276 100 HA2 GLY 22 HA1 GLY 22 -6.360 5.474 -4.356 101 HA3 GLY 22 HA2 GLY 22 -6.234 3.920 -5.202 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -5.686 2.221 -3.721 2 HA2 GLY 1 HA1 GLY 1 -5.888 2.951 -0.949 3 HA3 GLY 1 HA2 GLY 1 -7.024 1.947 -1.868 4 H CYS 2 H CYS 2 -3.448 2.083 -1.903 5 HA CYS 2 HA CYS 2 -3.291 -0.811 -1.880 6 HB3 CYS 2 HB2 CYS 2 -0.756 -0.066 -1.324 7 H CYS 3 H CYS 3 -3.042 1.754 0.528 8 HA CYS 3 HA CYS 3 -1.828 0.262 2.612 9 HB3 CYS 3 HB2 CYS 3 -3.340 1.911 4.057 10 H SER 4 H SER 4 -5.202 0.488 1.539 11 HA SER 4 HA SER 4 -6.106 -1.200 3.776 12 HB3 SER 4 HB2 SER 4 -8.148 -0.979 1.813 13 HG SER 4 HG SER 4 -9.043 0.443 3.402 14 H ASP 5 H ASP 5 -5.790 -1.420 0.222 15 HA ASP 5 HA ASP 5 -6.845 -3.985 -0.151 16 HB3 ASP 5 HB2 ASP 5 -4.472 -2.686 -1.545 17 HA PRO 6 HA PRO 6 -4.132 -6.701 2.031 18 HB3 PRO 6 HB2 PRO 6 -5.854 -8.230 1.930 19 HG3 PRO 6 HG2 PRO 6 -7.280 -8.319 0.084 20 HD3 PRO 6 HD2 PRO 6 -7.362 -6.055 0.550 21 H ARG 7 H ARG 7 -4.315 -7.164 -1.528 22 HA ARG 7 HA ARG 7 -1.869 -8.501 -1.859 23 HB3 ARG 7 HB2 ARG 7 -2.240 -6.653 -4.037 24 HG3 ARG 7 HG2 ARG 7 -1.439 -8.978 -4.260 25 HD3 ARG 7 HD2 ARG 7 -3.850 -10.403 -4.464 26 HE ARG 7 HE ARG 7 -1.387 -10.835 -3.283 27 HH11 ARG 7 HH11 ARG 7 -4.757 -11.309 -2.343 28 HH12 ARG 7 HH12 ARG 7 -4.402 -12.705 -1.318 29 HH21 ARG 7 HH21 ARG 7 -0.936 -12.635 -1.959 30 HH22 ARG 7 HH22 ARG 7 -2.247 -13.452 -1.101 31 H CYS 8 H CYS 8 -2.509 -4.975 -1.979 32 HA CYS 8 HA CYS 8 0.229 -4.255 -2.408 33 HB3 CYS 8 HB2 CYS 8 -0.709 -2.019 -1.292 34 H ASN 9 H ASN 9 -1.631 -5.054 0.449 35 HA ASN 9 HA ASN 9 0.174 -3.864 2.355 36 HB3 ASN 9 HB2 ASN 9 -1.284 -6.256 3.270 37 HD21 ASN 9 HD21 ASN 9 -2.263 -2.852 3.227 38 HD22 ASN 9 HD22 ASN 9 -1.942 -2.561 4.972 39 H TYR 10 H TYR 10 -0.255 -7.210 1.148 40 HA TYR 10 HA TYR 10 2.031 -8.182 2.652 41 HB3 TYR 10 HB2 TYR 10 0.908 -9.596 0.237 42 HD1 TYR 10 HD1 TYR 10 2.503 -11.287 0.035 43 HD2 TYR 10 HD2 TYR 10 0.997 -10.323 3.894 44 HE1 TYR 10 HE1 TYR 10 3.675 -13.235 0.973 45 HE2 TYR 10 HE2 TYR 10 2.166 -12.267 4.845 46 HH TYR 10 HH TYR 10 3.678 -13.879 4.469 47 H ALA 11 H ALA 11 1.452 -6.978 -0.615 48 HA ALA 11 HA ALA 11 4.050 -7.810 -1.621 49 HB1 ALA 11 HB1 ALA 11 3.446 -6.766 -3.625 50 HB2 ALA 11 HB2 ALA 11 1.894 -7.316 -2.950 51 HB3 ALA 11 HB3 ALA 11 2.369 -5.606 -2.809 52 H HIS 12 H HIS 12 2.671 -4.847 -0.231 53 HA HIS 12 HA HIS 12 5.446 -3.721 -0.205 54 HB3 HIS 12 HB2 HIS 12 4.684 -1.569 -0.620 55 HD2 HIS 12 HD2 HIS 12 1.553 -1.216 -2.114 56 HE1 HIS 12 HE1 HIS 12 3.425 -3.784 -4.924 57 HE2 HIS 12 HE2 HIS 12 1.487 -2.179 -4.534 58 HA PRO 13 HA PRO 13 3.815 -4.290 4.150 59 HB3 PRO 13 HB2 PRO 13 4.652 -6.432 4.306 60 HG3 PRO 13 HG2 PRO 13 6.389 -7.153 2.926 61 HD3 PRO 13 HD2 PRO 13 4.963 -6.254 1.344 62 H ALA 14 H ALA 14 6.967 -3.346 2.807 63 HA ALA 14 HA ALA 14 7.956 -2.019 5.128 64 HB1 ALA 14 HB1 ALA 14 9.391 -2.606 3.253 65 HB2 ALA 14 HB2 ALA 14 8.513 -1.472 2.197 66 HB3 ALA 14 HB3 ALA 14 9.470 -0.855 3.565 67 H ILE 15 H ILE 15 6.157 -0.779 2.290 68 HA ILE 15 HA ILE 15 4.964 1.299 3.971 69 HB ILE 15 HB ILE 15 5.688 3.096 2.235 70 HG13 ILE 15 HG12 ILE 15 6.907 1.088 0.958 71 HG21 ILE 15 HG21 ILE 15 7.998 2.350 3.962 72 HG22 ILE 15 HG22 ILE 15 7.146 3.903 3.790 73 HG23 ILE 15 HG23 ILE 15 6.424 2.592 4.755 74 HD11 ILE 15 HD11 ILE 15 7.407 2.786 -0.372 75 HD12 ILE 15 HD12 ILE 15 7.266 3.941 0.977 76 HD13 ILE 15 HD13 ILE 15 8.817 3.128 0.658 77 H CYS 16 H CYS 16 2.933 1.581 3.353 78 HA CYS 16 HA CYS 16 2.125 0.500 0.720 79 HB3 CYS 16 HB2 CYS 16 0.834 -0.191 2.676 80 H GLY 17 H GLY 17 3.654 2.761 0.418 81 HA2 GLY 17 HA1 GLY 17 2.319 5.238 0.418 82 HA3 GLY 17 HA2 GLY 17 3.591 4.774 -0.727 83 H GLY 18 H GLY 18 1.816 2.466 -1.637 84 HA2 GLY 18 HA1 GLY 18 0.792 3.660 -3.960 85 HA3 GLY 18 HA2 GLY 18 0.229 2.117 -3.289 86 H ALA 19 H ALA 19 -0.562 3.621 -0.757 87 HA ALA 19 HA ALA 19 -3.306 3.877 -1.318 88 HB1 ALA 19 HB1 ALA 19 -1.502 4.693 0.894 89 HB2 ALA 19 HB2 ALA 19 -3.083 5.507 0.817 90 HB3 ALA 19 HB3 ALA 19 -3.000 3.732 0.924 91 H ALA 20 H ALA 20 -0.690 6.193 -1.688 92 HA ALA 20 HA ALA 20 -2.146 8.598 -1.774 93 HB1 ALA 20 HB1 ALA 20 -0.308 9.266 -3.482 94 HB2 ALA 20 HB2 ALA 20 0.168 8.834 -1.822 95 HB3 ALA 20 HB3 ALA 20 0.364 7.654 -3.141 96 H GLY 21 H GLY 21 -1.326 6.406 -4.503 97 HA2 GLY 21 HA1 GLY 21 -2.911 7.930 -6.388 98 HA3 GLY 21 HA2 GLY 21 -2.237 6.308 -6.641 99 H GLY 22 H GLY 22 -3.507 5.053 -4.382 100 HA2 GLY 22 HA1 GLY 22 -6.400 5.416 -4.921 101 HA3 GLY 22 HA2 GLY 22 -5.689 3.853 -5.365 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -5.737 2.261 -3.598 2 HA2 GLY 1 HA1 GLY 1 -5.863 3.036 -0.834 3 HA3 GLY 1 HA2 GLY 1 -7.044 2.049 -1.716 4 H CYS 2 H CYS 2 -3.466 2.090 -1.820 5 HA CYS 2 HA CYS 2 -3.385 -0.804 -1.764 6 HB3 CYS 2 HB2 CYS 2 -0.822 -0.122 -1.259 7 H CYS 3 H CYS 3 -3.069 1.774 0.613 8 HA CYS 3 HA CYS 3 -1.838 0.298 2.697 9 HB3 CYS 3 HB2 CYS 3 -3.321 1.968 4.145 10 H SER 4 H SER 4 -5.228 0.539 1.677 11 HA SER 4 HA SER 4 -6.104 -1.131 3.936 12 HB3 SER 4 HB2 SER 4 -8.342 -0.981 2.614 13 HG SER 4 HG SER 4 -8.641 1.183 3.374 14 H ASP 5 H ASP 5 -5.814 -1.372 0.384 15 HA ASP 5 HA ASP 5 -6.909 -3.923 0.025 16 HB3 ASP 5 HB2 ASP 5 -4.403 -3.227 -1.471 17 HA PRO 6 HA PRO 6 -4.230 -6.666 2.220 18 HB3 PRO 6 HB2 PRO 6 -5.981 -8.165 2.143 19 HG3 PRO 6 HG2 PRO 6 -7.420 -8.246 0.308 20 HD3 PRO 6 HD2 PRO 6 -7.459 -5.977 0.753 21 H ARG 7 H ARG 7 -4.449 -7.185 -1.330 22 HA ARG 7 HA ARG 7 -2.016 -8.549 -1.648 23 HB3 ARG 7 HB2 ARG 7 -2.058 -7.410 -3.993 24 HG3 ARG 7 HG2 ARG 7 -4.242 -8.624 -4.608 25 HD3 ARG 7 HD2 ARG 7 -1.708 -9.490 -4.388 26 HE ARG 7 HE ARG 7 -2.787 -10.516 -2.008 27 HH11 ARG 7 HH11 ARG 7 -1.263 -11.730 -4.952 28 HH12 ARG 7 HH12 ARG 7 -0.555 -13.138 -4.151 29 HH21 ARG 7 HH21 ARG 7 -1.871 -12.334 -0.980 30 HH22 ARG 7 HH22 ARG 7 -0.898 -13.477 -1.911 31 H CYS 8 H CYS 8 -2.641 -5.025 -1.825 32 HA CYS 8 HA CYS 8 0.096 -4.328 -2.313 33 HB3 CYS 8 HB2 CYS 8 -0.847 -2.072 -1.197 34 H ASN 9 H ASN 9 -1.734 -5.050 0.584 35 HA ASN 9 HA ASN 9 0.107 -3.831 2.440 36 HB3 ASN 9 HB2 ASN 9 -1.273 -6.126 3.561 37 HD21 ASN 9 HD21 ASN 9 -1.524 -2.626 2.901 38 HD22 ASN 9 HD22 ASN 9 -1.691 -2.151 4.627 39 H TYR 10 H TYR 10 -0.375 -7.202 1.319 40 HA TYR 10 HA TYR 10 1.921 -8.163 2.815 41 HB3 TYR 10 HB2 TYR 10 0.560 -9.525 0.467 42 HD1 TYR 10 HD1 TYR 10 1.840 -10.170 3.938 43 HD2 TYR 10 HD2 TYR 10 1.660 -11.456 -0.114 44 HE1 TYR 10 HE1 TYR 10 3.216 -12.128 4.504 45 HE2 TYR 10 HE2 TYR 10 3.035 -13.417 0.441 46 HH TYR 10 HH TYR 10 3.926 -14.644 2.093 47 H ALA 11 H ALA 11 1.313 -7.023 -0.469 48 HA ALA 11 HA ALA 11 3.887 -7.911 -1.489 49 HB1 ALA 11 HB1 ALA 11 1.740 -7.447 -2.815 50 HB2 ALA 11 HB2 ALA 11 2.187 -5.728 -2.695 51 HB3 ALA 11 HB3 ALA 11 3.277 -6.878 -3.508 52 H HIS 12 H HIS 12 2.562 -4.905 -0.143 53 HA HIS 12 HA HIS 12 5.347 -3.810 -0.181 54 HB3 HIS 12 HB2 HIS 12 4.602 -1.655 -0.628 55 HD2 HIS 12 HD2 HIS 12 1.481 -1.288 -2.122 56 HE1 HIS 12 HE1 HIS 12 3.293 -3.958 -4.874 57 HE2 HIS 12 HE2 HIS 12 1.388 -2.309 -4.518 58 HA PRO 13 HA PRO 13 3.763 -4.257 4.205 59 HB3 PRO 13 HB2 PRO 13 4.569 -6.408 4.401 60 HG3 PRO 13 HG2 PRO 13 6.279 -7.185 3.016 61 HD3 PRO 13 HD2 PRO 13 4.847 -6.301 1.431 62 H ALA 14 H ALA 14 6.915 -3.395 2.806 63 HA ALA 14 HA ALA 14 7.960 -2.035 5.079 64 HB1 ALA 14 HB1 ALA 14 8.590 -2.282 2.234 65 HB2 ALA 14 HB2 ALA 14 9.005 -0.685 2.902 66 HB3 ALA 14 HB3 ALA 14 9.671 -2.161 3.642 67 H ILE 15 H ILE 15 6.119 -0.818 2.255 68 HA ILE 15 HA ILE 15 4.982 1.300 3.925 69 HB ILE 15 HB ILE 15 5.696 3.060 2.144 70 HG13 ILE 15 HG12 ILE 15 6.814 1.140 0.780 71 HG21 ILE 15 HG21 ILE 15 7.863 2.119 4.030 72 HG22 ILE 15 HG22 ILE 15 7.466 3.782 3.535 73 HG23 ILE 15 HG23 ILE 15 6.357 2.882 4.599 74 HD11 ILE 15 HD11 ILE 15 7.730 3.900 1.202 75 HD12 ILE 15 HD12 ILE 15 8.953 2.807 0.509 76 HD13 ILE 15 HD13 ILE 15 7.382 3.016 -0.302 77 H CYS 16 H CYS 16 2.944 1.593 3.342 78 HA CYS 16 HA CYS 16 2.076 0.483 0.739 79 HB3 CYS 16 HB2 CYS 16 0.816 -0.167 2.733 80 H GLY 17 H GLY 17 3.619 2.723 0.372 81 HA2 GLY 17 HA1 GLY 17 2.308 5.213 0.366 82 HA3 GLY 17 HA2 GLY 17 3.554 4.721 -0.796 83 H GLY 18 H GLY 18 1.736 2.419 -1.637 84 HA2 GLY 18 HA1 GLY 18 0.680 3.590 -3.958 85 HA3 GLY 18 HA2 GLY 18 0.113 2.064 -3.253 86 H ALA 19 H ALA 19 -0.614 3.611 -0.728 87 HA ALA 19 HA ALA 19 -3.365 3.893 -1.245 88 HB1 ALA 19 HB1 ALA 19 -3.119 5.519 0.868 89 HB2 ALA 19 HB2 ALA 19 -2.984 3.748 0.995 90 HB3 ALA 19 HB3 ALA 19 -1.514 4.751 0.924 91 H ALA 20 H ALA 20 -0.728 6.181 -1.660 92 HA ALA 20 HA ALA 20 -2.167 8.596 -1.761 93 HB1 ALA 20 HB1 ALA 20 -0.088 8.400 -3.816 94 HB2 ALA 20 HB2 ALA 20 -0.203 9.465 -2.393 95 HB3 ALA 20 HB3 ALA 20 0.438 7.812 -2.220 96 H GLY 21 H GLY 21 -1.372 6.376 -4.473 97 HA2 GLY 21 HA1 GLY 21 -2.953 7.893 -6.365 98 HA3 GLY 21 HA2 GLY 21 -2.290 6.266 -6.606 99 H GLY 22 H GLY 22 -3.557 5.029 -4.344 100 HA2 GLY 22 HA1 GLY 22 -6.452 5.404 -4.894 101 HA3 GLY 22 HA2 GLY 22 -5.744 3.827 -5.289 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -5.725 2.295 -3.660 2 HA2 GLY 1 HA1 GLY 1 -5.861 3.064 -0.894 3 HA3 GLY 1 HA2 GLY 1 -7.038 2.077 -1.781 4 H CYS 2 H CYS 2 -3.459 2.124 -1.878 5 HA CYS 2 HA CYS 2 -3.374 -0.771 -1.825 6 HB3 CYS 2 HB2 CYS 2 -0.812 -0.084 -1.313 7 H CYS 3 H CYS 3 -3.066 1.805 0.556 8 HA CYS 3 HA CYS 3 -1.837 0.328 2.640 9 HB3 CYS 3 HB2 CYS 3 -3.329 1.995 4.085 10 H SER 4 H SER 4 -5.225 0.567 1.612 11 HA SER 4 HA SER 4 -6.105 -1.106 3.869 12 HB3 SER 4 HB2 SER 4 -8.127 -0.828 1.836 13 HG SER 4 HG SER 4 -9.108 0.417 3.522 14 H ASP 5 H ASP 5 -5.798 -1.345 0.319 15 HA ASP 5 HA ASP 5 -6.894 -3.896 -0.047 16 HB3 ASP 5 HB2 ASP 5 -4.380 -3.196 -1.532 17 HA PRO 6 HA PRO 6 -4.223 -6.640 2.157 18 HB3 PRO 6 HB2 PRO 6 -5.973 -8.137 2.072 19 HG3 PRO 6 HG2 PRO 6 -7.406 -8.216 0.231 20 HD3 PRO 6 HD2 PRO 6 -7.446 -5.948 0.679 21 H ARG 7 H ARG 7 -4.426 -7.136 -1.397 22 HA ARG 7 HA ARG 7 -1.994 -8.508 -1.710 23 HB3 ARG 7 HB2 ARG 7 -2.618 -6.541 -3.836 24 HG3 ARG 7 HG2 ARG 7 -1.210 -8.638 -4.089 25 HD3 ARG 7 HD2 ARG 7 -3.209 -10.447 -4.816 26 HE ARG 7 HE ARG 7 -1.007 -10.424 -2.990 27 HH11 ARG 7 HH11 ARG 7 -4.055 -12.079 -3.646 28 HH12 ARG 7 HH12 ARG 7 -3.527 -13.601 -2.920 29 HH21 ARG 7 HH21 ARG 7 -0.330 -12.390 -2.053 30 HH22 ARG 7 HH22 ARG 7 -1.427 -13.775 -2.021 31 H CYS 8 H CYS 8 -2.611 -4.982 -1.891 32 HA CYS 8 HA CYS 8 0.133 -4.291 -2.354 33 HB3 CYS 8 HB2 CYS 8 -0.814 -2.032 -1.247 34 H ASN 9 H ASN 9 -1.722 -5.009 0.528 35 HA ASN 9 HA ASN 9 0.105 -3.795 2.399 36 HB3 ASN 9 HB2 ASN 9 -1.693 -6.167 2.981 37 HD21 ASN 9 HD21 ASN 9 -1.302 -2.826 4.147 38 HD22 ASN 9 HD22 ASN 9 -0.882 -3.289 5.832 39 H TYR 10 H TYR 10 -0.369 -7.164 1.274 40 HA TYR 10 HA TYR 10 1.914 -8.126 2.787 41 HB3 TYR 10 HB2 TYR 10 0.641 -9.524 0.420 42 HD1 TYR 10 HD1 TYR 10 1.824 -11.442 -0.024 43 HD2 TYR 10 HD2 TYR 10 1.573 -10.108 4.008 44 HE1 TYR 10 HE1 TYR 10 3.124 -13.402 0.699 45 HE2 TYR 10 HE2 TYR 10 2.873 -12.062 4.742 46 HH TYR 10 HH TYR 10 4.009 -13.862 4.127 47 H ALA 11 H ALA 11 1.331 -6.987 -0.502 48 HA ALA 11 HA ALA 11 3.910 -7.877 -1.505 49 HB1 ALA 11 HB1 ALA 11 3.314 -6.848 -3.527 50 HB2 ALA 11 HB2 ALA 11 1.769 -7.409 -2.843 51 HB3 ALA 11 HB3 ALA 11 2.225 -5.692 -2.724 52 H HIS 12 H HIS 12 2.580 -4.877 -0.157 53 HA HIS 12 HA HIS 12 5.365 -3.779 -0.182 54 HB3 HIS 12 HB2 HIS 12 4.621 -1.621 -0.625 55 HD2 HIS 12 HD2 HIS 12 1.518 -1.251 -2.150 56 HE1 HIS 12 HE1 HIS 12 3.356 -3.917 -4.889 57 HE2 HIS 12 HE2 HIS 12 1.448 -2.266 -4.549 58 HA PRO 13 HA PRO 13 3.760 -4.232 4.195 59 HB3 PRO 13 HB2 PRO 13 4.568 -6.381 4.392 60 HG3 PRO 13 HG2 PRO 13 6.285 -7.156 3.016 61 HD3 PRO 13 HD2 PRO 13 4.860 -6.271 1.425 62 H ALA 14 H ALA 14 6.917 -3.365 2.813 63 HA ALA 14 HA ALA 14 7.948 -2.005 5.094 64 HB1 ALA 14 HB1 ALA 14 8.486 -1.359 2.181 65 HB2 ALA 14 HB2 ALA 14 9.527 -0.994 3.578 66 HB3 ALA 14 HB3 ALA 14 9.259 -2.684 3.086 67 H ILE 15 H ILE 15 6.125 -0.790 2.258 68 HA ILE 15 HA ILE 15 4.977 1.328 3.919 69 HB ILE 15 HB ILE 15 5.701 3.089 2.144 70 HG13 ILE 15 HG12 ILE 15 6.828 1.167 0.785 71 HG21 ILE 15 HG21 ILE 15 8.032 2.364 3.844 72 HG22 ILE 15 HG22 ILE 15 7.164 3.908 3.680 73 HG23 ILE 15 HG23 ILE 15 6.471 2.597 4.667 74 HD11 ILE 15 HD11 ILE 15 7.142 3.366 -0.018 75 HD12 ILE 15 HD12 ILE 15 8.198 3.796 1.349 76 HD13 ILE 15 HD13 ILE 15 8.764 2.648 0.114 77 H CYS 16 H CYS 16 2.942 1.620 3.324 78 HA CYS 16 HA CYS 16 2.091 0.511 0.715 79 HB3 CYS 16 HB2 CYS 16 0.819 -0.141 2.699 80 H GLY 17 H GLY 17 3.635 2.749 0.354 81 HA2 GLY 17 HA1 GLY 17 2.325 5.239 0.340 82 HA3 GLY 17 HA2 GLY 17 3.575 4.746 -0.817 83 H GLY 18 H GLY 18 1.760 2.445 -1.663 84 HA2 GLY 18 HA1 GLY 18 0.717 3.613 -3.990 85 HA3 GLY 18 HA2 GLY 18 0.144 2.089 -3.287 86 H ALA 19 H ALA 19 -0.594 3.638 -0.767 87 HA ALA 19 HA ALA 19 -3.340 3.924 -1.299 88 HB1 ALA 19 HB1 ALA 19 -3.011 5.606 0.812 89 HB2 ALA 19 HB2 ALA 19 -3.069 3.831 0.939 90 HB3 ALA 19 HB3 ALA 19 -1.499 4.671 0.887 91 H ALA 20 H ALA 20 -0.698 6.206 -1.707 92 HA ALA 20 HA ALA 20 -2.131 8.625 -1.812 93 HB1 ALA 20 HB1 ALA 20 0.397 7.621 -3.057 94 HB2 ALA 20 HB2 ALA 20 -0.274 9.173 -3.616 95 HB3 ALA 20 HB3 ALA 20 0.139 8.947 -1.899 96 H GLY 21 H GLY 21 -1.339 6.398 -4.521 97 HA2 GLY 21 HA1 GLY 21 -2.910 7.920 -6.418 98 HA3 GLY 21 HA2 GLY 21 -2.255 6.289 -6.655 99 H GLY 22 H GLY 22 -3.533 5.067 -4.387 100 HA2 GLY 22 HA1 GLY 22 -6.425 5.455 -4.935 101 HA3 GLY 22 HA2 GLY 22 -5.726 3.875 -5.342 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -5.824 2.238 -3.516 2 HA2 GLY 1 HA1 GLY 1 -5.881 3.071 -0.766 3 HA3 GLY 1 HA2 GLY 1 -7.090 2.077 -1.601 4 H CYS 2 H CYS 2 -3.516 2.084 -1.794 5 HA CYS 2 HA CYS 2 -3.455 -0.809 -1.677 6 HB3 CYS 2 HB2 CYS 2 -0.876 -0.136 -1.241 7 H CYS 3 H CYS 3 -3.075 1.813 0.640 8 HA CYS 3 HA CYS 3 -1.805 0.373 2.725 9 HB3 CYS 3 HB2 CYS 3 -3.256 2.077 4.170 10 H SER 4 H SER 4 -5.217 0.616 1.780 11 HA SER 4 HA SER 4 -6.049 -1.013 4.086 12 HB3 SER 4 HB2 SER 4 -7.375 0.924 2.927 13 HG SER 4 HG SER 4 -8.807 0.109 1.304 14 H ASP 5 H ASP 5 -5.794 -1.317 0.541 15 HA ASP 5 HA ASP 5 -6.931 -3.862 0.240 16 HB3 ASP 5 HB2 ASP 5 -4.443 -3.212 -1.307 17 HA PRO 6 HA PRO 6 -4.243 -6.592 2.437 18 HB3 PRO 6 HB2 PRO 6 -6.005 -8.076 2.412 19 HG3 PRO 6 HG2 PRO 6 -7.474 -8.174 0.602 20 HD3 PRO 6 HD2 PRO 6 -7.488 -5.898 1.011 21 H ARG 7 H ARG 7 -4.524 -7.167 -1.101 22 HA ARG 7 HA ARG 7 -2.106 -8.558 -1.434 23 HB3 ARG 7 HB2 ARG 7 -2.730 -6.650 -3.602 24 HG3 ARG 7 HG2 ARG 7 -1.412 -8.801 -3.821 25 HD3 ARG 7 HD2 ARG 7 -3.849 -10.356 -4.276 26 HE ARG 7 HE ARG 7 -1.850 -11.392 -2.443 27 HH11 ARG 7 HH11 ARG 7 -2.576 -10.661 -5.820 28 HH12 ARG 7 HH12 ARG 7 -1.448 -11.868 -6.450 29 HH21 ARG 7 HH21 ARG 7 -0.399 -12.947 -3.263 30 HH22 ARG 7 HH22 ARG 7 -0.221 -13.157 -5.007 31 H CYS 8 H CYS 8 -2.707 -5.033 -1.670 32 HA CYS 8 HA CYS 8 0.030 -4.368 -2.210 33 HB3 CYS 8 HB2 CYS 8 -0.880 -2.081 -1.129 34 H ASN 9 H ASN 9 -1.767 -5.015 0.726 35 HA ASN 9 HA ASN 9 0.105 -3.770 2.532 36 HB3 ASN 9 HB2 ASN 9 -1.771 -6.093 3.118 37 HD21 ASN 9 HD21 ASN 9 -0.648 -2.933 4.364 38 HD22 ASN 9 HD22 ASN 9 -0.359 -3.520 6.038 39 H TYR 10 H TYR 10 -0.410 -7.163 1.494 40 HA TYR 10 HA TYR 10 1.902 -8.102 2.975 41 HB3 TYR 10 HB2 TYR 10 0.596 -9.561 0.667 42 HD1 TYR 10 HD1 TYR 10 0.233 -11.030 3.867 43 HD2 TYR 10 HD2 TYR 10 3.039 -10.497 0.715 44 HE1 TYR 10 HE1 TYR 10 1.504 -12.973 4.679 45 HE2 TYR 10 HE2 TYR 10 4.317 -12.438 1.516 46 HH TYR 10 HH TYR 10 4.402 -14.134 2.948 47 H ALA 11 H ALA 11 1.250 -7.033 -0.323 48 HA ALA 11 HA ALA 11 3.800 -7.960 -1.366 49 HB1 ALA 11 HB1 ALA 11 3.167 -6.953 -3.394 50 HB2 ALA 11 HB2 ALA 11 1.641 -7.516 -2.671 51 HB3 ALA 11 HB3 ALA 11 2.085 -5.794 -2.585 52 H HIS 12 H HIS 12 2.520 -4.921 -0.056 53 HA HIS 12 HA HIS 12 5.312 -3.847 -0.162 54 HB3 HIS 12 HB2 HIS 12 4.579 -1.695 -0.644 55 HD2 HIS 12 HD2 HIS 12 1.440 -1.334 -2.104 56 HE1 HIS 12 HE1 HIS 12 3.195 -4.081 -4.820 57 HE2 HIS 12 HE2 HIS 12 1.309 -2.407 -4.476 58 HA PRO 13 HA PRO 13 3.792 -4.184 4.254 59 HB3 PRO 13 HB2 PRO 13 4.588 -6.335 4.486 60 HG3 PRO 13 HG2 PRO 13 6.272 -7.154 3.094 61 HD3 PRO 13 HD2 PRO 13 4.822 -6.297 1.511 62 H ALA 14 H ALA 14 6.928 -3.375 2.792 63 HA ALA 14 HA ALA 14 8.014 -1.971 5.017 64 HB1 ALA 14 HB1 ALA 14 9.693 -1.299 3.589 65 HB2 ALA 14 HB2 ALA 14 9.061 -2.718 2.723 66 HB3 ALA 14 HB3 ALA 14 8.587 -1.080 2.212 67 H ILE 15 H ILE 15 6.138 -0.806 2.195 68 HA ILE 15 HA ILE 15 5.041 1.358 3.833 69 HB ILE 15 HB ILE 15 5.736 3.073 2.005 70 HG13 ILE 15 HG12 ILE 15 6.934 0.909 0.857 71 HG21 ILE 15 HG21 ILE 15 7.228 3.916 3.494 72 HG22 ILE 15 HG22 ILE 15 6.566 2.621 4.520 73 HG23 ILE 15 HG23 ILE 15 8.105 2.376 3.660 74 HD11 ILE 15 HD11 ILE 15 6.874 3.655 0.358 75 HD12 ILE 15 HD12 ILE 15 8.598 3.212 0.329 76 HD13 ILE 15 HD13 ILE 15 7.444 2.369 -0.731 77 H CYS 16 H CYS 16 2.995 1.650 3.276 78 HA CYS 16 HA CYS 16 2.079 0.488 0.714 79 HB3 CYS 16 HB2 CYS 16 0.846 -0.111 2.740 80 H GLY 17 H GLY 17 3.627 2.701 0.260 81 HA2 GLY 17 HA1 GLY 17 2.334 5.203 0.224 82 HA3 GLY 17 HA2 GLY 17 3.554 4.675 -0.951 83 H GLY 18 H GLY 18 1.702 2.367 -1.702 84 HA2 GLY 18 HA1 GLY 18 0.613 3.491 -4.030 85 HA3 GLY 18 HA2 GLY 18 0.046 1.988 -3.278 86 H ALA 19 H ALA 19 -0.621 3.600 -0.777 87 HA ALA 19 HA ALA 19 -3.378 3.895 -1.251 88 HB1 ALA 19 HB1 ALA 19 -2.969 3.802 0.981 89 HB2 ALA 19 HB2 ALA 19 -1.481 4.771 0.866 90 HB3 ALA 19 HB3 ALA 19 -3.071 5.572 0.819 91 H ALA 20 H ALA 20 -0.729 6.148 -1.769 92 HA ALA 20 HA ALA 20 -2.147 8.574 -1.895 93 HB1 ALA 20 HB1 ALA 20 0.031 9.071 -2.139 94 HB2 ALA 20 HB2 ALA 20 0.397 7.526 -2.944 95 HB3 ALA 20 HB3 ALA 20 -0.287 8.876 -3.880 96 H GLY 21 H GLY 21 -1.429 6.283 -4.572 97 HA2 GLY 21 HA1 GLY 21 -3.032 7.773 -6.468 98 HA3 GLY 21 HA2 GLY 21 -2.392 6.133 -6.683 99 H GLY 22 H GLY 22 -3.630 4.977 -4.355 100 HA2 GLY 22 HA1 GLY 22 -6.530 5.369 -4.853 101 HA3 GLY 22 HA2 GLY 22 -5.851 3.776 -5.236 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -5.664 2.235 -3.792 2 HA2 GLY 1 HA1 GLY 1 -5.862 2.988 -1.026 3 HA3 GLY 1 HA2 GLY 1 -7.009 1.989 -1.940 4 H CYS 2 H CYS 2 -3.431 2.088 -1.966 5 HA CYS 2 HA CYS 2 -3.305 -0.807 -1.923 6 HB3 CYS 2 HB2 CYS 2 -0.764 -0.085 -1.362 7 H CYS 3 H CYS 3 -3.071 1.767 0.472 8 HA CYS 3 HA CYS 3 -1.863 0.297 2.571 9 HB3 CYS 3 HB2 CYS 3 -3.410 1.940 3.991 10 H SER 4 H SER 4 -5.234 0.495 1.483 11 HA SER 4 HA SER 4 -6.133 -1.196 3.719 12 HB3 SER 4 HB2 SER 4 -8.021 -0.814 1.495 13 HG SER 4 HG SER 4 -9.262 0.040 3.248 14 H ASP 5 H ASP 5 -5.734 -1.423 0.179 15 HA ASP 5 HA ASP 5 -6.795 -3.988 -0.214 16 HB3 ASP 5 HB2 ASP 5 -4.265 -3.248 -1.652 17 HA PRO 6 HA PRO 6 -4.126 -6.698 2.032 18 HB3 PRO 6 HB2 PRO 6 -5.851 -8.223 1.909 19 HG3 PRO 6 HG2 PRO 6 -7.245 -8.319 0.040 20 HD3 PRO 6 HD2 PRO 6 -7.330 -6.052 0.493 21 H ARG 7 H ARG 7 -4.250 -7.172 -1.529 22 HA ARG 7 HA ARG 7 -1.798 -8.516 -1.806 23 HB3 ARG 7 HB2 ARG 7 -1.947 -6.910 -4.073 24 HG3 ARG 7 HG2 ARG 7 -1.783 -9.333 -4.147 25 HD3 ARG 7 HD2 ARG 7 -4.420 -10.227 -4.026 26 HE ARG 7 HE ARG 7 -1.984 -10.742 -2.550 27 HH11 ARG 7 HH11 ARG 7 -5.469 -11.302 -2.628 28 HH12 ARG 7 HH12 ARG 7 -5.369 -12.812 -1.715 29 HH21 ARG 7 HH21 ARG 7 -1.863 -12.691 -1.372 30 HH22 ARG 7 HH22 ARG 7 -3.336 -13.594 -1.006 31 H CYS 8 H CYS 8 -2.433 -4.991 -2.018 32 HA CYS 8 HA CYS 8 0.308 -4.275 -2.394 33 HB3 CYS 8 HB2 CYS 8 -0.660 -2.029 -1.309 34 H ASN 9 H ASN 9 -1.598 -5.038 0.443 35 HA ASN 9 HA ASN 9 0.173 -3.821 2.363 36 HB3 ASN 9 HB2 ASN 9 -1.627 -6.217 2.852 37 HD21 ASN 9 HD21 ASN 9 -1.144 -2.927 4.141 38 HD22 ASN 9 HD22 ASN 9 -0.780 -3.464 5.818 39 H TYR 10 H TYR 10 -0.222 -7.180 1.181 40 HA TYR 10 HA TYR 10 2.037 -8.131 2.737 41 HB3 TYR 10 HB2 TYR 10 0.718 -9.452 0.338 42 HD1 TYR 10 HD1 TYR 10 2.969 -10.456 -0.152 43 HD2 TYR 10 HD2 TYR 10 0.974 -11.079 3.553 44 HE1 TYR 10 HE1 TYR 10 4.411 -12.399 0.292 45 HE2 TYR 10 HE2 TYR 10 2.410 -13.022 4.008 46 HH TYR 10 HH TYR 10 4.234 -14.160 3.375 47 H ALA 11 H ALA 11 1.519 -6.955 -0.550 48 HA ALA 11 HA ALA 11 4.140 -7.786 -1.495 49 HB1 ALA 11 HB1 ALA 11 3.555 -6.825 -3.524 50 HB2 ALA 11 HB2 ALA 11 1.972 -7.275 -2.845 51 HB3 ALA 11 HB3 ALA 11 2.529 -5.586 -2.763 52 H HIS 12 H HIS 12 2.726 -4.834 -0.130 53 HA HIS 12 HA HIS 12 5.491 -3.687 -0.069 54 HB3 HIS 12 HB2 HIS 12 4.727 -1.541 -0.512 55 HD2 HIS 12 HD2 HIS 12 1.638 -1.201 -2.085 56 HE1 HIS 12 HE1 HIS 12 3.570 -3.799 -4.825 57 HE2 HIS 12 HE2 HIS 12 1.629 -2.187 -4.497 58 HA PRO 13 HA PRO 13 3.777 -4.231 4.256 59 HB3 PRO 13 HB2 PRO 13 4.619 -6.367 4.445 60 HG3 PRO 13 HG2 PRO 13 6.388 -7.091 3.105 61 HD3 PRO 13 HD2 PRO 13 4.989 -6.209 1.487 62 H ALA 14 H ALA 14 6.941 -3.272 2.961 63 HA ALA 14 HA ALA 14 7.880 -1.924 5.294 64 HB1 ALA 14 HB1 ALA 14 9.435 -2.452 3.573 65 HB2 ALA 14 HB2 ALA 14 8.495 -1.558 2.353 66 HB3 ALA 14 HB3 ALA 14 9.340 -0.676 3.648 67 H ILE 15 H ILE 15 6.133 -0.718 2.409 68 HA ILE 15 HA ILE 15 4.897 1.369 4.048 69 HB ILE 15 HB ILE 15 5.643 3.155 2.312 70 HG13 ILE 15 HG12 ILE 15 6.828 1.293 0.948 71 HG21 ILE 15 HG21 ILE 15 6.228 2.962 4.785 72 HG22 ILE 15 HG22 ILE 15 7.760 2.227 4.260 73 HG23 ILE 15 HG23 ILE 15 7.357 3.890 3.768 74 HD11 ILE 15 HD11 ILE 15 8.999 3.007 0.920 75 HD12 ILE 15 HD12 ILE 15 7.535 3.132 -0.086 76 HD13 ILE 15 HD13 ILE 15 7.649 4.042 1.438 77 H CYS 16 H CYS 16 2.876 1.635 3.391 78 HA CYS 16 HA CYS 16 2.124 0.526 0.753 79 HB3 CYS 16 HB2 CYS 16 0.798 -0.156 2.690 80 H GLY 17 H GLY 17 3.639 2.769 0.415 81 HA2 GLY 17 HA1 GLY 17 2.305 5.250 0.386 82 HA3 GLY 17 HA2 GLY 17 3.586 4.772 -0.746 83 H GLY 18 H GLY 18 1.810 2.453 -1.632 84 HA2 GLY 18 HA1 GLY 18 0.807 3.616 -3.981 85 HA3 GLY 18 HA2 GLY 18 0.234 2.085 -3.291 86 H ALA 19 H ALA 19 -0.574 3.624 -0.787 87 HA ALA 19 HA ALA 19 -3.311 3.887 -1.378 88 HB1 ALA 19 HB1 ALA 19 -1.526 4.605 0.851 89 HB2 ALA 19 HB2 ALA 19 -3.009 5.586 0.743 90 HB3 ALA 19 HB3 ALA 19 -3.120 3.813 0.861 91 H ALA 20 H ALA 20 -0.680 6.186 -1.739 92 HA ALA 20 HA ALA 20 -2.127 8.597 -1.864 93 HB1 ALA 20 HB1 ALA 20 0.468 7.943 -2.137 94 HB2 ALA 20 HB2 ALA 20 0.060 8.239 -3.845 95 HB3 ALA 20 HB3 ALA 20 -0.199 9.517 -2.634 96 H GLY 21 H GLY 21 -1.276 6.378 -4.562 97 HA2 GLY 21 HA1 GLY 21 -2.826 7.890 -6.483 98 HA3 GLY 21 HA2 GLY 21 -2.157 6.264 -6.709 99 H GLY 22 H GLY 22 -3.469 5.047 -4.449 100 HA2 GLY 22 HA1 GLY 22 -6.352 5.416 -5.037 101 HA3 GLY 22 HA2 GLY 22 -5.644 3.846 -5.454 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -5.518 2.876 -2.876 2 HA2 GLY 1 HA1 GLY 1 -7.714 1.933 -1.280 3 HA3 GLY 1 HA2 GLY 1 -7.419 1.586 -2.995 4 H CYS 2 H CYS 2 -4.476 1.544 -2.598 5 HA CYS 2 HA CYS 2 -4.117 -1.218 -2.291 6 HB3 CYS 2 HB2 CYS 2 -1.678 -0.318 -1.532 7 H CYS 3 H CYS 3 -3.798 1.371 0.150 8 HA CYS 3 HA CYS 3 -2.872 -0.272 2.271 9 HB3 CYS 3 HB2 CYS 3 -4.253 1.596 3.633 10 H SER 4 H SER 4 -6.111 0.325 0.998 11 HA SER 4 HA SER 4 -7.468 -0.932 3.236 12 HB3 SER 4 HB2 SER 4 -8.586 -0.606 0.434 13 HG SER 4 HG SER 4 -10.512 -0.243 1.662 14 H ASP 5 H ASP 5 -6.181 -1.983 0.124 15 HA ASP 5 HA ASP 5 -7.395 -4.653 0.423 16 HB3 ASP 5 HB2 ASP 5 -5.302 -4.052 -1.642 17 HA PRO 6 HA PRO 6 -3.989 -6.387 2.635 18 HB3 PRO 6 HB2 PRO 6 -5.450 -8.066 3.234 19 HG3 PRO 6 HG2 PRO 6 -7.118 -8.791 1.772 20 HD3 PRO 6 HD2 PRO 6 -7.473 -6.507 1.689 21 H ARG 7 H ARG 7 -4.584 -7.055 -0.774 22 HA ARG 7 HA ARG 7 -2.251 -8.555 -1.347 23 HB3 ARG 7 HB2 ARG 7 -3.708 -6.542 -3.101 24 HG3 ARG 7 HG2 ARG 7 -1.332 -7.657 -3.742 25 HD3 ARG 7 HD2 ARG 7 -2.296 -9.443 -5.511 26 HE ARG 7 HE ARG 7 -1.750 -10.705 -2.941 27 HH11 ARG 7 HH11 ARG 7 -0.392 -8.926 -5.671 28 HH12 ARG 7 HH12 ARG 7 1.242 -9.554 -5.425 29 HH21 ARG 7 HH21 ARG 7 0.361 -11.511 -2.628 30 HH22 ARG 7 HH22 ARG 7 1.665 -11.012 -3.708 31 H CYS 8 H CYS 8 -2.797 -5.018 -1.654 32 HA CYS 8 HA CYS 8 -0.056 -4.462 -2.318 33 HB3 CYS 8 HB2 CYS 8 -0.812 -2.078 -1.483 34 H ASN 9 H ASN 9 -1.826 -4.785 0.703 35 HA ASN 9 HA ASN 9 0.143 -3.506 2.367 36 HB3 ASN 9 HB2 ASN 9 -1.583 -5.734 3.412 37 HD21 ASN 9 HD21 ASN 9 -1.027 -2.204 3.597 38 HD22 ASN 9 HD22 ASN 9 -0.761 -2.183 5.376 39 H TYR 10 H TYR 10 -0.517 -6.933 1.561 40 HA TYR 10 HA TYR 10 1.770 -7.871 3.086 41 HB3 TYR 10 HB2 TYR 10 0.346 -9.391 0.883 42 HD1 TYR 10 HD1 TYR 10 0.718 -10.192 4.472 43 HD2 TYR 10 HD2 TYR 10 2.132 -10.942 0.531 44 HE1 TYR 10 HE1 TYR 10 1.966 -12.143 5.298 45 HE2 TYR 10 HE2 TYR 10 3.384 -12.896 1.345 46 HH TYR 10 HH TYR 10 3.917 -14.156 3.081 47 H ALA 11 H ALA 11 1.154 -6.913 -0.242 48 HA ALA 11 HA ALA 11 3.636 -8.035 -1.263 49 HB1 ALA 11 HB1 ALA 11 1.968 -5.854 -2.534 50 HB2 ALA 11 HB2 ALA 11 3.061 -7.013 -3.330 51 HB3 ALA 11 HB3 ALA 11 1.536 -7.579 -2.605 52 H HIS 12 H HIS 12 2.521 -4.848 -0.146 53 HA HIS 12 HA HIS 12 5.372 -3.942 -0.296 54 HB3 HIS 12 HB2 HIS 12 4.764 -1.819 -0.952 55 HD2 HIS 12 HD2 HIS 12 1.483 -1.380 -2.156 56 HE1 HIS 12 HE1 HIS 12 2.944 -4.287 -4.877 57 HE2 HIS 12 HE2 HIS 12 1.130 -2.550 -4.458 58 HA PRO 13 HA PRO 13 3.835 -3.977 4.139 59 HB3 PRO 13 HB2 PRO 13 4.438 -6.176 4.470 60 HG3 PRO 13 HG2 PRO 13 6.039 -7.204 3.118 61 HD3 PRO 13 HD2 PRO 13 4.664 -6.296 1.496 62 H ALA 14 H ALA 14 7.054 -3.554 2.675 63 HA ALA 14 HA ALA 14 8.315 -2.187 4.790 64 HB1 ALA 14 HB1 ALA 14 9.504 -0.986 2.753 65 HB2 ALA 14 HB2 ALA 14 9.773 -2.711 3.101 66 HB3 ALA 14 HB3 ALA 14 8.638 -2.229 1.818 67 H ILE 15 H ILE 15 6.330 -0.885 2.110 68 HA ILE 15 HA ILE 15 5.544 1.364 3.819 69 HB ILE 15 HB ILE 15 6.173 3.018 1.937 70 HG13 ILE 15 HG12 ILE 15 6.862 1.138 0.370 71 HG21 ILE 15 HG21 ILE 15 8.574 1.957 3.407 72 HG22 ILE 15 HG22 ILE 15 8.091 3.642 3.096 73 HG23 ILE 15 HG23 ILE 15 7.207 2.667 4.296 74 HD11 ILE 15 HD11 ILE 15 9.136 3.059 0.857 75 HD12 ILE 15 HD12 ILE 15 8.637 2.295 -0.671 76 HD13 ILE 15 HD13 ILE 15 7.607 3.536 0.081 77 H CYS 16 H CYS 16 3.493 1.862 3.441 78 HA CYS 16 HA CYS 16 2.111 0.560 1.228 79 HB3 CYS 16 HB2 CYS 16 1.038 2.622 3.191 80 H GLY 17 H GLY 17 3.785 1.892 -0.189 81 HA2 GLY 17 HA1 GLY 17 3.335 4.638 -0.702 82 HA3 GLY 17 HA2 GLY 17 3.959 3.465 -1.880 83 H GLY 18 H GLY 18 1.546 1.787 -1.776 84 HA2 GLY 18 HA1 GLY 18 0.134 2.943 -3.936 85 HA3 GLY 18 HA2 GLY 18 -0.471 1.635 -2.904 86 H ALA 19 H ALA 19 -0.167 3.506 -0.517 87 HA ALA 19 HA ALA 19 -2.858 4.316 -0.338 88 HB1 ALA 19 HB1 ALA 19 -0.868 5.944 1.149 89 HB2 ALA 19 HB2 ALA 19 -2.314 5.083 1.727 90 HB3 ALA 19 HB3 ALA 19 -0.812 4.184 1.404 91 H ALA 20 H ALA 20 -0.049 5.989 -1.661 92 HA ALA 20 HA ALA 20 -1.042 8.621 -1.729 93 HB1 ALA 20 HB1 ALA 20 0.576 7.384 -3.962 94 HB2 ALA 20 HB2 ALA 20 0.590 9.068 -3.382 95 HB3 ALA 20 HB3 ALA 20 1.270 7.772 -2.370 96 H GLY 21 H GLY 21 -1.321 6.078 -4.253 97 HA2 GLY 21 HA1 GLY 21 -3.034 7.713 -5.916 98 HA3 GLY 21 HA2 GLY 21 -2.740 5.972 -6.089 99 H GLY 22 H GLY 22 -3.623 5.114 -3.541 100 HA2 GLY 22 HA1 GLY 22 -5.769 5.551 -2.246 101 HA3 GLY 22 HA2 GLY 22 -6.545 5.727 -3.832 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -5.875 2.692 -3.490 2 HA2 GLY 1 HA1 GLY 1 -7.127 2.556 -0.907 3 HA3 GLY 1 HA2 GLY 1 -7.722 1.838 -2.416 4 H CYS 2 H CYS 2 -4.289 2.034 -1.777 5 HA CYS 2 HA CYS 2 -4.057 -0.849 -2.003 6 HB3 CYS 2 HB2 CYS 2 -1.594 -0.083 -1.166 7 H CYS 3 H CYS 3 -3.723 1.525 0.638 8 HA CYS 3 HA CYS 3 -2.825 -0.282 2.630 9 HB3 CYS 3 HB2 CYS 3 -4.212 1.467 4.126 10 H SER 4 H SER 4 -6.049 0.414 1.376 11 HA SER 4 HA SER 4 -7.438 -1.002 3.489 12 HB3 SER 4 HB2 SER 4 -9.283 -0.159 2.496 13 HG SER 4 HG SER 4 -8.886 1.443 0.875 14 H ASP 5 H ASP 5 -6.092 -1.842 0.337 15 HA ASP 5 HA ASP 5 -7.290 -4.534 0.453 16 HB3 ASP 5 HB2 ASP 5 -5.191 -3.784 -1.558 17 HA PRO 6 HA PRO 6 -3.878 -6.373 2.572 18 HB3 PRO 6 HB2 PRO 6 -5.328 -8.098 3.059 19 HG3 PRO 6 HG2 PRO 6 -6.983 -8.745 1.547 20 HD3 PRO 6 HD2 PRO 6 -7.357 -6.464 1.603 21 H ARG 7 H ARG 7 -4.463 -6.876 -0.873 22 HA ARG 7 HA ARG 7 -2.113 -8.306 -1.527 23 HB3 ARG 7 HB2 ARG 7 -2.382 -7.121 -3.794 24 HG3 ARG 7 HG2 ARG 7 -4.874 -8.048 -4.001 25 HD3 ARG 7 HD2 ARG 7 -2.634 -8.967 -4.878 26 HE ARG 7 HE ARG 7 -2.642 -10.232 -2.253 27 HH11 ARG 7 HH11 ARG 7 -1.673 -10.525 -5.634 28 HH12 ARG 7 HH12 ARG 7 -0.348 -11.641 -5.286 29 HH21 ARG 7 HH21 ARG 7 -0.930 -11.673 -1.808 30 HH22 ARG 7 HH22 ARG 7 0.069 -12.290 -3.129 31 H CYS 8 H CYS 8 -2.678 -4.758 -1.618 32 HA CYS 8 HA CYS 8 0.059 -4.145 -2.237 33 HB3 CYS 8 HB2 CYS 8 -0.725 -1.830 -1.216 34 H ASN 9 H ASN 9 -1.699 -4.701 0.753 35 HA ASN 9 HA ASN 9 0.254 -3.515 2.503 36 HB3 ASN 9 HB2 ASN 9 -1.187 -5.759 3.692 37 HD21 ASN 9 HD21 ASN 9 -1.994 -2.326 3.163 38 HD22 ASN 9 HD22 ASN 9 -1.742 -1.838 4.876 39 H TYR 10 H TYR 10 -0.367 -6.891 1.472 40 HA TYR 10 HA TYR 10 1.943 -7.894 2.917 41 HB3 TYR 10 HB2 TYR 10 0.332 -9.192 0.687 42 HD1 TYR 10 HD1 TYR 10 0.967 -10.874 3.813 43 HD2 TYR 10 HD2 TYR 10 2.491 -10.233 -0.108 44 HE1 TYR 10 HE1 TYR 10 2.396 -12.863 4.049 45 HE2 TYR 10 HE2 TYR 10 3.923 -12.220 0.118 46 HH TYR 10 HH TYR 10 4.399 -14.025 1.347 47 H ALA 11 H ALA 11 1.286 -6.730 -0.336 48 HA ALA 11 HA ALA 11 3.771 -7.753 -1.451 49 HB1 ALA 11 HB1 ALA 11 3.165 -6.607 -3.439 50 HB2 ALA 11 HB2 ALA 11 1.652 -7.230 -2.740 51 HB3 ALA 11 HB3 ALA 11 2.073 -5.510 -2.562 52 H HIS 12 H HIS 12 2.628 -4.642 -0.150 53 HA HIS 12 HA HIS 12 5.473 -3.713 -0.230 54 HB3 HIS 12 HB2 HIS 12 4.860 -1.564 -0.783 55 HD2 HIS 12 HD2 HIS 12 1.589 -1.066 -1.987 56 HE1 HIS 12 HE1 HIS 12 3.066 -3.840 -4.836 57 HE2 HIS 12 HE2 HIS 12 1.251 -2.124 -4.345 58 HA PRO 13 HA PRO 13 3.896 -3.986 4.182 59 HB3 PRO 13 HB2 PRO 13 4.499 -6.199 4.403 60 HG3 PRO 13 HG2 PRO 13 6.114 -7.153 3.014 61 HD3 PRO 13 HD2 PRO 13 4.752 -6.162 1.429 62 H ALA 14 H ALA 14 7.114 -3.465 2.758 63 HA ALA 14 HA ALA 14 8.368 -2.221 4.951 64 HB1 ALA 14 HB1 ALA 14 9.190 -0.865 2.588 65 HB2 ALA 14 HB2 ALA 14 10.015 -2.180 3.457 66 HB3 ALA 14 HB3 ALA 14 8.863 -2.560 2.155 67 H ILE 15 H ILE 15 6.368 -0.774 2.359 68 HA ILE 15 HA ILE 15 5.580 1.367 4.203 69 HB ILE 15 HB ILE 15 6.187 3.133 2.420 70 HG13 ILE 15 HG12 ILE 15 6.861 1.399 0.714 71 HG21 ILE 15 HG21 ILE 15 8.659 2.067 3.727 72 HG22 ILE 15 HG22 ILE 15 8.025 3.729 3.659 73 HG23 ILE 15 HG23 ILE 15 7.282 2.536 4.753 74 HD11 ILE 15 HD11 ILE 15 8.575 3.694 1.488 75 HD12 ILE 15 HD12 ILE 15 9.258 2.519 0.338 76 HD13 ILE 15 HD13 ILE 15 7.730 3.348 -0.039 77 H CYS 16 H CYS 16 3.524 1.883 3.863 78 HA CYS 16 HA CYS 16 2.135 0.700 1.590 79 HB3 CYS 16 HB2 CYS 16 1.062 2.644 3.668 80 H GLY 17 H GLY 17 3.819 2.142 0.267 81 HA2 GLY 17 HA1 GLY 17 3.050 4.913 -0.092 82 HA3 GLY 17 HA2 GLY 17 4.119 3.966 -1.144 83 H GLY 18 H GLY 18 2.138 1.853 -1.614 84 HA2 GLY 18 HA1 GLY 18 0.991 2.842 -3.989 85 HA3 GLY 18 HA2 GLY 18 0.440 1.397 -3.120 86 H ALA 19 H ALA 19 -0.116 3.154 -0.702 87 HA ALA 19 HA ALA 19 -2.887 3.477 -1.110 88 HB1 ALA 19 HB1 ALA 19 -2.743 3.728 1.094 89 HB2 ALA 19 HB2 ALA 19 -0.985 3.979 0.977 90 HB3 ALA 19 HB3 ALA 19 -2.093 5.366 0.849 91 H ALA 20 H ALA 20 -0.205 5.706 -1.675 92 HA ALA 20 HA ALA 20 -1.647 8.116 -1.920 93 HB1 ALA 20 HB1 ALA 20 0.974 7.264 -2.348 94 HB2 ALA 20 HB2 ALA 20 0.449 7.897 -3.926 95 HB3 ALA 20 HB3 ALA 20 0.354 8.928 -2.478 96 H GLY 21 H GLY 21 -1.262 5.425 -4.186 97 HA2 GLY 21 HA1 GLY 21 -2.355 6.836 -6.461 98 HA3 GLY 21 HA2 GLY 21 -2.183 5.080 -6.291 99 H GLY 22 H GLY 22 -3.764 4.330 -4.298 100 HA2 GLY 22 HA1 GLY 22 -6.212 5.454 -3.798 101 HA3 GLY 22 HA2 GLY 22 -6.419 4.827 -5.446 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -5.789 2.535 -3.660 2 HA2 GLY 1 HA1 GLY 1 -7.014 2.516 -1.062 3 HA3 GLY 1 HA2 GLY 1 -7.630 1.738 -2.533 4 H CYS 2 H CYS 2 -4.192 1.950 -1.874 5 HA CYS 2 HA CYS 2 -3.958 -0.936 -2.026 6 HB3 CYS 2 HB2 CYS 2 -1.508 -0.156 -1.169 7 H CYS 3 H CYS 3 -3.668 1.498 0.563 8 HA CYS 3 HA CYS 3 -2.804 -0.263 2.611 9 HB3 CYS 3 HB2 CYS 3 -4.216 1.522 4.044 10 H SER 4 H SER 4 -6.003 0.398 1.279 11 HA SER 4 HA SER 4 -7.434 -0.961 3.403 12 HB3 SER 4 HB2 SER 4 -8.188 -0.083 0.595 13 HG SER 4 HG SER 4 -10.348 -0.624 1.216 14 H ASP 5 H ASP 5 -6.024 -1.887 0.303 15 HA ASP 5 HA ASP 5 -7.218 -4.580 0.479 16 HB3 ASP 5 HB2 ASP 5 -5.100 -3.876 -1.528 17 HA PRO 6 HA PRO 6 -3.824 -6.339 2.690 18 HB3 PRO 6 HB2 PRO 6 -5.272 -8.056 3.211 19 HG3 PRO 6 HG2 PRO 6 -6.907 -8.755 1.699 20 HD3 PRO 6 HD2 PRO 6 -7.290 -6.475 1.684 21 H ARG 7 H ARG 7 -4.367 -6.952 -0.745 22 HA ARG 7 HA ARG 7 -2.005 -8.388 -1.330 23 HB3 ARG 7 HB2 ARG 7 -2.264 -7.467 -3.635 24 HG3 ARG 7 HG2 ARG 7 -4.478 -8.307 -4.130 25 HD3 ARG 7 HD2 ARG 7 -4.302 -10.507 -3.238 26 HE ARG 7 HE ARG 7 -1.450 -9.991 -3.023 27 HH11 ARG 7 HH11 ARG 7 -4.225 -10.087 -5.204 28 HH12 ARG 7 HH12 ARG 7 -3.240 -10.395 -6.639 29 HH21 ARG 7 HH21 ARG 7 -0.186 -10.388 -4.879 30 HH22 ARG 7 HH22 ARG 7 -0.963 -10.565 -6.456 31 H CYS 8 H CYS 8 -2.580 -4.848 -1.531 32 HA CYS 8 HA CYS 8 0.158 -4.237 -2.141 33 HB3 CYS 8 HB2 CYS 8 -0.648 -1.902 -1.169 34 H ASN 9 H ASN 9 -1.614 -4.737 0.850 35 HA ASN 9 HA ASN 9 0.325 -3.502 2.583 36 HB3 ASN 9 HB2 ASN 9 -0.913 -5.464 4.111 37 HD21 ASN 9 HD21 ASN 9 0.156 -3.375 4.985 38 HD22 ASN 9 HD22 ASN 9 -1.009 -2.077 5.421 39 H TYR 10 H TYR 10 -0.283 -6.902 1.633 40 HA TYR 10 HA TYR 10 2.024 -7.865 3.112 41 HB3 TYR 10 HB2 TYR 10 0.408 -9.214 0.914 42 HD1 TYR 10 HD1 TYR 10 1.839 -10.277 4.195 43 HD2 TYR 10 HD2 TYR 10 1.814 -10.819 -0.026 44 HE1 TYR 10 HE1 TYR 10 3.282 -12.253 4.446 45 HE2 TYR 10 HE2 TYR 10 3.256 -12.797 0.215 46 HH TYR 10 HH TYR 10 4.263 -14.191 1.613 47 H ALA 11 H ALA 11 1.377 -6.784 -0.173 48 HA ALA 11 HA ALA 11 3.872 -7.827 -1.250 49 HB1 ALA 11 HB1 ALA 11 1.750 -7.343 -2.555 50 HB2 ALA 11 HB2 ALA 11 2.175 -5.618 -2.431 51 HB3 ALA 11 HB3 ALA 11 3.266 -6.747 -3.272 52 H HIS 12 H HIS 12 2.706 -4.684 -0.045 53 HA HIS 12 HA HIS 12 5.549 -3.748 -0.131 54 HB3 HIS 12 HB2 HIS 12 4.936 -1.620 -0.756 55 HD2 HIS 12 HD2 HIS 12 1.675 -1.166 -2.000 56 HE1 HIS 12 HE1 HIS 12 3.179 -4.026 -4.750 57 HE2 HIS 12 HE2 HIS 12 1.356 -2.299 -4.326 58 HA PRO 13 HA PRO 13 3.925 -3.889 4.274 59 HB3 PRO 13 HB2 PRO 13 4.522 -6.096 4.568 60 HG3 PRO 13 HG2 PRO 13 6.148 -7.095 3.226 61 HD3 PRO 13 HD2 PRO 13 4.805 -6.150 1.597 62 H ALA 14 H ALA 14 7.143 -3.396 2.846 63 HA ALA 14 HA ALA 14 8.398 -2.105 5.013 64 HB1 ALA 14 HB1 ALA 14 9.520 -2.803 2.921 65 HB2 ALA 14 HB2 ALA 14 8.727 -1.455 2.069 66 HB3 ALA 14 HB3 ALA 14 9.892 -1.122 3.373 67 H ILE 15 H ILE 15 6.394 -0.712 2.395 68 HA ILE 15 HA ILE 15 5.594 1.458 4.196 69 HB ILE 15 HB ILE 15 6.202 3.195 2.383 70 HG13 ILE 15 HG12 ILE 15 6.890 1.468 0.698 71 HG21 ILE 15 HG21 ILE 15 8.603 2.077 3.819 72 HG22 ILE 15 HG22 ILE 15 8.142 3.774 3.545 73 HG23 ILE 15 HG23 ILE 15 7.239 2.784 4.719 74 HD11 ILE 15 HD11 ILE 15 7.953 3.916 0.977 75 HD12 ILE 15 HD12 ILE 15 9.424 2.932 1.166 76 HD13 ILE 15 HD13 ILE 15 8.432 2.778 -0.303 77 H CYS 16 H CYS 16 3.537 1.959 3.843 78 HA CYS 16 HA CYS 16 2.165 0.740 1.575 79 HB3 CYS 16 HB2 CYS 16 1.066 2.690 3.635 80 H GLY 17 H GLY 17 3.844 2.188 0.250 81 HA2 GLY 17 HA1 GLY 17 3.052 4.950 -0.133 82 HA3 GLY 17 HA2 GLY 17 4.131 4.003 -1.175 83 H GLY 18 H GLY 18 2.180 1.872 -1.648 84 HA2 GLY 18 HA1 GLY 18 1.023 2.846 -4.026 85 HA3 GLY 18 HA2 GLY 18 0.490 1.392 -3.159 86 H ALA 19 H ALA 19 -0.096 3.138 -0.739 87 HA ALA 19 HA ALA 19 -2.870 3.422 -1.155 88 HB1 ALA 19 HB1 ALA 19 -2.073 5.322 0.808 89 HB2 ALA 19 HB2 ALA 19 -2.757 3.697 1.048 90 HB3 ALA 19 HB3 ALA 19 -0.994 3.914 0.943 91 H ALA 20 H ALA 20 -0.215 5.674 -1.737 92 HA ALA 20 HA ALA 20 -1.669 8.076 -1.963 93 HB1 ALA 20 HB1 ALA 20 0.858 7.688 -2.067 94 HB2 ALA 20 HB2 ALA 20 0.617 7.358 -3.801 95 HB3 ALA 20 HB3 ALA 20 0.180 8.947 -3.127 96 H GLY 21 H GLY 21 -1.340 5.376 -4.218 97 HA2 GLY 21 HA1 GLY 21 -2.417 6.755 -6.505 98 HA3 GLY 21 HA2 GLY 21 -2.335 4.997 -6.280 99 H GLY 22 H GLY 22 -3.931 4.397 -4.248 100 HA2 GLY 22 HA1 GLY 22 -6.284 5.573 -3.661 101 HA3 GLY 22 HA2 GLY 22 -6.575 5.131 -5.355 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -6.531 2.025 -3.845 2 HA2 GLY 1 HA1 GLY 1 -6.895 2.550 -1.044 3 HA3 GLY 1 HA2 GLY 1 -7.916 1.530 -2.075 4 H CYS 2 H CYS 2 -4.361 1.939 -1.894 5 HA CYS 2 HA CYS 2 -3.974 -0.927 -2.088 6 HB3 CYS 2 HB2 CYS 2 -1.544 -0.025 -1.301 7 H CYS 3 H CYS 3 -3.676 1.490 0.525 8 HA CYS 3 HA CYS 3 -2.684 -0.277 2.511 9 HB3 CYS 3 HB2 CYS 3 -4.075 1.458 4.024 10 H SER 4 H SER 4 -5.956 0.349 1.341 11 HA SER 4 HA SER 4 -7.241 -1.110 3.499 12 HB3 SER 4 HB2 SER 4 -8.797 -0.967 1.031 13 HG SER 4 HG SER 4 -10.133 0.299 2.430 14 H ASP 5 H ASP 5 -6.019 -1.868 0.277 15 HA ASP 5 HA ASP 5 -7.199 -4.564 0.350 16 HB3 ASP 5 HB2 ASP 5 -5.105 -3.773 -1.651 17 HA PRO 6 HA PRO 6 -3.786 -6.474 2.402 18 HB3 PRO 6 HB2 PRO 6 -5.240 -8.209 2.840 19 HG3 PRO 6 HG2 PRO 6 -6.898 -8.808 1.312 20 HD3 PRO 6 HD2 PRO 6 -7.267 -6.528 1.436 21 H ARG 7 H ARG 7 -4.370 -6.836 -1.055 22 HA ARG 7 HA ARG 7 -2.020 -8.260 -1.752 23 HB3 ARG 7 HB2 ARG 7 -2.891 -6.121 -3.619 24 HG3 ARG 7 HG2 ARG 7 -1.505 -8.281 -4.097 25 HD3 ARG 7 HD2 ARG 7 -3.487 -9.862 -5.107 26 HE ARG 7 HE ARG 7 -1.558 -10.153 -3.065 27 HH11 ARG 7 HH11 ARG 7 -4.724 -11.426 -3.967 28 HH12 ARG 7 HH12 ARG 7 -4.443 -12.999 -3.212 29 HH21 ARG 7 HH21 ARG 7 -1.200 -12.184 -2.093 30 HH22 ARG 7 HH22 ARG 7 -2.455 -13.426 -2.155 31 H CYS 8 H CYS 8 -2.606 -4.715 -1.749 32 HA CYS 8 HA CYS 8 0.144 -4.089 -2.339 33 HB3 CYS 8 HB2 CYS 8 -0.678 -1.780 -1.325 34 H ASN 9 H ASN 9 -1.673 -4.667 0.608 35 HA ASN 9 HA ASN 9 0.231 -3.471 2.404 36 HB3 ASN 9 HB2 ASN 9 -1.190 -5.707 3.594 37 HD21 ASN 9 HD21 ASN 9 -1.813 -2.258 2.874 38 HD22 ASN 9 HD22 ASN 9 -1.759 -1.731 4.593 39 H TYR 10 H TYR 10 -0.336 -6.844 1.339 40 HA TYR 10 HA TYR 10 1.944 -7.838 2.837 41 HB3 TYR 10 HB2 TYR 10 0.355 -9.110 0.575 42 HD1 TYR 10 HD1 TYR 10 2.045 -10.164 3.750 43 HD2 TYR 10 HD2 TYR 10 1.557 -10.805 -0.427 44 HE1 TYR 10 HE1 TYR 10 3.516 -12.132 3.885 45 HE2 TYR 10 HE2 TYR 10 3.025 -12.774 -0.303 46 HH TYR 10 HH TYR 10 4.084 -14.207 1.055 47 H ALA 11 H ALA 11 1.365 -6.656 -0.425 48 HA ALA 11 HA ALA 11 3.891 -7.647 -1.477 49 HB1 ALA 11 HB1 ALA 11 1.809 -7.153 -2.826 50 HB2 ALA 11 HB2 ALA 11 2.183 -5.424 -2.620 51 HB3 ALA 11 HB3 ALA 11 3.326 -6.488 -3.476 52 H HIS 12 H HIS 12 2.672 -4.554 -0.197 53 HA HIS 12 HA HIS 12 5.508 -3.594 -0.189 54 HB3 HIS 12 HB2 HIS 12 4.893 -1.454 -0.765 55 HD2 HIS 12 HD2 HIS 12 1.656 -0.980 -2.062 56 HE1 HIS 12 HE1 HIS 12 3.228 -3.748 -4.864 57 HE2 HIS 12 HE2 HIS 12 1.389 -2.042 -4.425 58 HA PRO 13 HA PRO 13 3.782 -3.885 4.168 59 HB3 PRO 13 HB2 PRO 13 4.383 -6.097 4.407 60 HG3 PRO 13 HG2 PRO 13 6.045 -7.046 3.072 61 HD3 PRO 13 HD2 PRO 13 4.736 -6.056 1.444 62 H ALA 14 H ALA 14 7.120 -3.476 2.956 63 HA ALA 14 HA ALA 14 8.203 -2.147 5.193 64 HB1 ALA 14 HB1 ALA 14 8.804 -2.162 2.260 65 HB2 ALA 14 HB2 ALA 14 9.616 -0.967 3.301 66 HB3 ALA 14 HB3 ALA 14 9.796 -2.706 3.634 67 H ILE 15 H ILE 15 6.508 -0.790 2.347 68 HA ILE 15 HA ILE 15 5.737 1.527 4.011 69 HB ILE 15 HB ILE 15 7.097 1.937 1.328 70 HG13 ILE 15 HG12 ILE 15 8.708 1.186 3.050 71 HG21 ILE 15 HG21 ILE 15 6.382 4.050 1.419 72 HG22 ILE 15 HG22 ILE 15 5.294 3.536 2.729 73 HG23 ILE 15 HG23 ILE 15 6.890 4.224 3.116 74 HD11 ILE 15 HD11 ILE 15 9.541 2.834 1.480 75 HD12 ILE 15 HD12 ILE 15 8.905 4.153 2.492 76 HD13 ILE 15 HD13 ILE 15 10.221 3.121 3.098 77 H CYS 16 H CYS 16 3.686 2.056 3.666 78 HA CYS 16 HA CYS 16 2.256 0.729 1.473 79 HB3 CYS 16 HB2 CYS 16 1.170 2.697 3.520 80 H GLY 17 H GLY 17 3.950 2.241 0.164 81 HA2 GLY 17 HA1 GLY 17 3.122 4.968 -0.248 82 HA3 GLY 17 HA2 GLY 17 4.154 4.008 -1.325 83 H GLY 18 H GLY 18 2.210 1.889 -1.752 84 HA2 GLY 18 HA1 GLY 18 0.957 2.849 -4.072 85 HA3 GLY 18 HA2 GLY 18 0.442 1.411 -3.171 86 H ALA 19 H ALA 19 -0.087 3.094 -0.739 87 HA ALA 19 HA ALA 19 -2.858 3.459 -1.115 88 HB1 ALA 19 HB1 ALA 19 -2.743 3.680 1.095 89 HB2 ALA 19 HB2 ALA 19 -0.969 3.783 0.987 90 HB3 ALA 19 HB3 ALA 19 -1.951 5.265 0.910 91 H ALA 20 H ALA 20 -0.155 5.645 -1.679 92 HA ALA 20 HA ALA 20 -1.521 8.104 -1.772 93 HB1 ALA 20 HB1 ALA 20 0.394 8.944 -2.651 94 HB2 ALA 20 HB2 ALA 20 1.032 7.353 -2.166 95 HB3 ALA 20 HB3 ALA 20 0.547 7.641 -3.855 96 H GLY 21 H GLY 21 -1.122 5.615 -4.305 97 HA2 GLY 21 HA1 GLY 21 -2.481 7.169 -6.332 98 HA3 GLY 21 HA2 GLY 21 -2.139 5.430 -6.386 99 H GLY 22 H GLY 22 -3.511 4.522 -4.150 100 HA2 GLY 22 HA1 GLY 22 -6.234 5.541 -4.161 101 HA3 GLY 22 HA2 GLY 22 -6.072 4.069 -5.137 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -6.574 1.878 -3.762 2 HA2 GLY 1 HA1 GLY 1 -6.877 2.463 -0.964 3 HA3 GLY 1 HA2 GLY 1 -7.926 1.433 -1.955 4 H CYS 2 H CYS 2 -4.366 1.808 -1.876 5 HA CYS 2 HA CYS 2 -4.013 -1.065 -2.001 6 HB3 CYS 2 HB2 CYS 2 -1.552 -0.170 -1.308 7 H CYS 3 H CYS 3 -3.618 1.417 0.536 8 HA CYS 3 HA CYS 3 -2.585 -0.305 2.541 9 HB3 CYS 3 HB2 CYS 3 -3.918 1.483 4.044 10 H SER 4 H SER 4 -5.883 0.319 1.445 11 HA SER 4 HA SER 4 -7.122 -1.067 3.677 12 HB3 SER 4 HB2 SER 4 -8.099 -0.081 0.983 13 HG SER 4 HG SER 4 -10.202 -0.730 1.689 14 H ASP 5 H ASP 5 -5.987 -1.932 0.450 15 HA ASP 5 HA ASP 5 -7.182 -4.615 0.639 16 HB3 ASP 5 HB2 ASP 5 -5.146 -3.899 -1.447 17 HA PRO 6 HA PRO 6 -3.719 -6.481 2.647 18 HB3 PRO 6 HB2 PRO 6 -5.167 -8.193 3.185 19 HG3 PRO 6 HG2 PRO 6 -6.875 -8.829 1.728 20 HD3 PRO 6 HD2 PRO 6 -7.228 -6.544 1.791 21 H ARG 7 H ARG 7 -4.411 -6.951 -0.777 22 HA ARG 7 HA ARG 7 -2.092 -8.412 -1.498 23 HB3 ARG 7 HB2 ARG 7 -3.762 -6.386 -3.022 24 HG3 ARG 7 HG2 ARG 7 -1.610 -6.448 -4.131 25 HD3 ARG 7 HD2 ARG 7 -0.601 -8.446 -3.354 26 HE ARG 7 HE ARG 7 -2.029 -10.210 -2.951 27 HH11 ARG 7 HH11 ARG 7 -2.510 -9.002 -6.233 28 HH12 ARG 7 HH12 ARG 7 -3.619 -10.302 -6.680 29 HH21 ARG 7 HH21 ARG 7 -3.460 -11.886 -3.534 30 HH22 ARG 7 HH22 ARG 7 -4.157 -11.927 -5.157 31 H CYS 8 H CYS 8 -2.658 -4.864 -1.595 32 HA CYS 8 HA CYS 8 0.071 -4.272 -2.294 33 HB3 CYS 8 HB2 CYS 8 -0.704 -1.930 -1.311 34 H ASN 9 H ASN 9 -1.644 -4.753 0.733 35 HA ASN 9 HA ASN 9 0.332 -3.520 2.424 36 HB3 ASN 9 HB2 ASN 9 -1.049 -5.698 3.744 37 HD21 ASN 9 HD21 ASN 9 -1.701 -2.287 2.886 38 HD22 ASN 9 HD22 ASN 9 -1.604 -1.682 4.576 39 H TYR 10 H TYR 10 -0.298 -6.916 1.477 40 HA TYR 10 HA TYR 10 2.027 -7.890 2.922 41 HB3 TYR 10 HB2 TYR 10 0.622 -9.353 0.674 42 HD1 TYR 10 HD1 TYR 10 1.454 -11.478 0.382 43 HD2 TYR 10 HD2 TYR 10 1.901 -9.637 4.190 44 HE1 TYR 10 HE1 TYR 10 2.703 -13.441 1.178 45 HE2 TYR 10 HE2 TYR 10 3.152 -11.594 4.998 46 HH TYR 10 HH TYR 10 4.166 -13.507 4.418 47 H ALA 11 H ALA 11 1.339 -6.797 -0.349 48 HA ALA 11 HA ALA 11 3.819 -7.840 -1.462 49 HB1 ALA 11 HB1 ALA 11 2.092 -5.635 -2.608 50 HB2 ALA 11 HB2 ALA 11 3.193 -6.736 -3.472 51 HB3 ALA 11 HB3 ALA 11 1.693 -7.364 -2.749 52 H HIS 12 H HIS 12 2.671 -4.701 -0.230 53 HA HIS 12 HA HIS 12 5.513 -3.764 -0.351 54 HB3 HIS 12 HB2 HIS 12 4.892 -1.636 -0.965 55 HD2 HIS 12 HD2 HIS 12 1.615 -1.172 -2.160 56 HE1 HIS 12 HE1 HIS 12 3.066 -4.033 -4.935 57 HE2 HIS 12 HE2 HIS 12 1.259 -2.300 -4.483 58 HA PRO 13 HA PRO 13 3.944 -3.915 4.072 59 HB3 PRO 13 HB2 PRO 13 4.535 -6.125 4.354 60 HG3 PRO 13 HG2 PRO 13 6.141 -7.126 2.987 61 HD3 PRO 13 HD2 PRO 13 4.782 -6.171 1.379 62 H ALA 14 H ALA 14 7.227 -3.552 2.715 63 HA ALA 14 HA ALA 14 8.413 -2.184 4.872 64 HB1 ALA 14 HB1 ALA 14 9.995 -1.293 3.228 65 HB2 ALA 14 HB2 ALA 14 9.657 -3.015 2.930 66 HB3 ALA 14 HB3 ALA 14 8.901 -1.770 1.907 67 H ILE 15 H ILE 15 6.594 -0.876 2.081 68 HA ILE 15 HA ILE 15 5.889 1.467 3.732 69 HB ILE 15 HB ILE 15 7.352 1.722 1.083 70 HG13 ILE 15 HG12 ILE 15 8.992 2.988 2.365 71 HG21 ILE 15 HG21 ILE 15 7.035 4.266 1.845 72 HG22 ILE 15 HG22 ILE 15 5.856 3.420 0.815 73 HG23 ILE 15 HG23 ILE 15 5.556 3.584 2.562 74 HD11 ILE 15 HD11 ILE 15 8.467 4.006 4.261 75 HD12 ILE 15 HD12 ILE 15 6.917 3.134 4.354 76 HD13 ILE 15 HD13 ILE 15 8.390 2.411 5.045 77 H CYS 16 H CYS 16 3.831 1.998 3.441 78 HA CYS 16 HA CYS 16 2.329 0.641 1.319 79 HB3 CYS 16 HB2 CYS 16 1.320 2.658 3.358 80 H GLY 17 H GLY 17 3.983 2.107 -0.083 81 HA2 GLY 17 HA1 GLY 17 3.160 4.832 -0.524 82 HA3 GLY 17 HA2 GLY 17 4.154 3.842 -1.610 83 H GLY 18 H GLY 18 2.190 1.727 -1.935 84 HA2 GLY 18 HA1 GLY 18 0.870 2.645 -4.237 85 HA3 GLY 18 HA2 GLY 18 0.377 1.229 -3.290 86 H ALA 19 H ALA 19 -0.069 2.967 -0.878 87 HA ALA 19 HA ALA 19 -2.849 3.336 -1.176 88 HB1 ALA 19 HB1 ALA 19 -0.889 3.706 0.855 89 HB2 ALA 19 HB2 ALA 19 -1.882 5.183 0.778 90 HB3 ALA 19 HB3 ALA 19 -2.658 3.599 1.023 91 H ALA 20 H ALA 20 -0.156 5.502 -1.862 92 HA ALA 20 HA ALA 20 -1.523 7.960 -1.974 93 HB1 ALA 20 HB1 ALA 20 0.815 8.034 -2.158 94 HB2 ALA 20 HB2 ALA 20 0.838 6.871 -3.505 95 HB3 ALA 20 HB3 ALA 20 0.231 8.524 -3.766 96 H GLY 21 H GLY 21 -1.224 5.394 -4.434 97 HA2 GLY 21 HA1 GLY 21 -2.599 6.902 -6.484 98 HA3 GLY 21 HA2 GLY 21 -2.295 5.155 -6.483 99 H GLY 22 H GLY 22 -3.632 4.341 -4.201 100 HA2 GLY 22 HA1 GLY 22 -6.336 5.425 -4.187 101 HA3 GLY 22 HA2 GLY 22 -6.222 3.908 -5.100 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -6.788 1.914 -3.618 2 HA2 GLY 1 HA1 GLY 1 -6.989 2.543 -0.821 3 HA3 GLY 1 HA2 GLY 1 -8.089 1.518 -1.761 4 H CYS 2 H CYS 2 -4.520 1.838 -1.769 5 HA CYS 2 HA CYS 2 -4.212 -1.040 -1.892 6 HB3 CYS 2 HB2 CYS 2 -1.726 -0.179 -1.249 7 H CYS 3 H CYS 3 -3.729 1.445 0.628 8 HA CYS 3 HA CYS 3 -2.687 -0.289 2.619 9 HB3 CYS 3 HB2 CYS 3 -3.957 1.528 4.142 10 H SER 4 H SER 4 -5.995 0.392 1.588 11 HA SER 4 HA SER 4 -7.210 -0.970 3.847 12 HB3 SER 4 HB2 SER 4 -8.549 -0.512 1.170 13 HG SER 4 HG SER 4 -10.337 -0.109 2.579 14 H ASP 5 H ASP 5 -6.160 -1.855 0.598 15 HA ASP 5 HA ASP 5 -7.404 -4.516 0.810 16 HB3 ASP 5 HB2 ASP 5 -5.392 -3.840 -1.312 17 HA PRO 6 HA PRO 6 -3.945 -6.454 2.755 18 HB3 PRO 6 HB2 PRO 6 -5.416 -8.137 3.314 19 HG3 PRO 6 HG2 PRO 6 -7.163 -8.736 1.885 20 HD3 PRO 6 HD2 PRO 6 -7.468 -6.445 1.958 21 H ARG 7 H ARG 7 -4.704 -6.906 -0.658 22 HA ARG 7 HA ARG 7 -2.427 -8.409 -1.421 23 HB3 ARG 7 HB2 ARG 7 -3.364 -6.291 -3.293 24 HG3 ARG 7 HG2 ARG 7 -3.807 -8.382 -4.699 25 HD3 ARG 7 HD2 ARG 7 -1.420 -6.952 -4.098 26 HE ARG 7 HE ARG 7 -0.848 -9.565 -3.507 27 HH11 ARG 7 HH11 ARG 7 -0.012 -7.411 -6.175 28 HH12 ARG 7 HH12 ARG 7 1.546 -8.189 -6.477 29 HH21 ARG 7 HH21 ARG 7 1.163 -10.566 -3.901 30 HH22 ARG 7 HH22 ARG 7 2.208 -9.969 -5.195 31 H CYS 8 H CYS 8 -2.923 -4.852 -1.501 32 HA CYS 8 HA CYS 8 -0.191 -4.316 -2.240 33 HB3 CYS 8 HB2 CYS 8 -0.912 -1.956 -1.251 34 H ASN 9 H ASN 9 -1.878 -4.758 0.806 35 HA ASN 9 HA ASN 9 0.138 -3.557 2.474 36 HB3 ASN 9 HB2 ASN 9 -1.375 -5.782 3.678 37 HD21 ASN 9 HD21 ASN 9 -1.344 -2.228 3.271 38 HD22 ASN 9 HD22 ASN 9 -1.197 -1.873 5.028 39 H TYR 10 H TYR 10 -0.559 -6.946 1.541 40 HA TYR 10 HA TYR 10 1.768 -7.951 2.960 41 HB3 TYR 10 HB2 TYR 10 0.373 -9.433 0.727 42 HD1 TYR 10 HD1 TYR 10 2.426 -10.804 0.622 43 HD2 TYR 10 HD2 TYR 10 0.219 -10.399 4.236 44 HE1 TYR 10 HE1 TYR 10 3.590 -12.764 1.546 45 HE2 TYR 10 HE2 TYR 10 1.377 -12.356 5.170 46 HH TYR 10 HH TYR 10 3.064 -13.806 4.904 47 H ALA 11 H ALA 11 1.058 -6.853 -0.306 48 HA ALA 11 HA ALA 11 3.504 -7.939 -1.448 49 HB1 ALA 11 HB1 ALA 11 1.797 -5.709 -2.573 50 HB2 ALA 11 HB2 ALA 11 2.873 -6.824 -3.451 51 HB3 ALA 11 HB3 ALA 11 1.372 -7.432 -2.710 52 H HIS 12 H HIS 12 2.425 -4.777 -0.211 53 HA HIS 12 HA HIS 12 5.281 -3.892 -0.365 54 HB3 HIS 12 HB2 HIS 12 4.692 -1.755 -0.981 55 HD2 HIS 12 HD2 HIS 12 1.415 -1.233 -2.146 56 HE1 HIS 12 HE1 HIS 12 2.781 -4.135 -4.922 57 HE2 HIS 12 HE2 HIS 12 1.013 -2.365 -4.459 58 HA PRO 13 HA PRO 13 3.754 -4.000 4.075 59 HB3 PRO 13 HB2 PRO 13 4.310 -6.219 4.357 60 HG3 PRO 13 HG2 PRO 13 5.883 -7.253 2.979 61 HD3 PRO 13 HD2 PRO 13 4.524 -6.280 1.380 62 H ALA 14 H ALA 14 7.044 -3.723 2.703 63 HA ALA 14 HA ALA 14 8.259 -2.352 4.843 64 HB1 ALA 14 HB1 ALA 14 9.673 -3.111 3.135 65 HB2 ALA 14 HB2 ALA 14 8.722 -2.305 1.863 66 HB3 ALA 14 HB3 ALA 14 9.713 -1.338 2.981 67 H ILE 15 H ILE 15 6.473 -1.043 2.031 68 HA ILE 15 HA ILE 15 5.842 1.350 3.649 69 HB ILE 15 HB ILE 15 7.057 1.640 0.883 70 HG13 ILE 15 HG12 ILE 15 8.746 0.865 2.520 71 HG21 ILE 15 HG21 ILE 15 5.358 3.320 2.178 72 HG22 ILE 15 HG22 ILE 15 6.929 3.919 2.762 73 HG23 ILE 15 HG23 ILE 15 6.598 3.847 1.015 74 HD11 ILE 15 HD11 ILE 15 10.166 2.165 1.426 75 HD12 ILE 15 HD12 ILE 15 8.891 3.362 1.098 76 HD13 ILE 15 HD13 ILE 15 9.833 3.453 2.606 77 H CYS 16 H CYS 16 3.791 1.923 3.386 78 HA CYS 16 HA CYS 16 2.222 0.563 1.311 79 HB3 CYS 16 HB2 CYS 16 1.284 2.617 3.345 80 H GLY 17 H GLY 17 3.888 2.001 -0.119 81 HA2 GLY 17 HA1 GLY 17 3.100 4.732 -0.573 82 HA3 GLY 17 HA2 GLY 17 4.056 3.717 -1.671 83 H GLY 18 H GLY 18 2.047 1.633 -1.938 84 HA2 GLY 18 HA1 GLY 18 0.702 2.554 -4.224 85 HA3 GLY 18 HA2 GLY 18 0.199 1.157 -3.255 86 H ALA 19 H ALA 19 -0.170 2.923 -0.852 87 HA ALA 19 HA ALA 19 -2.948 3.344 -1.105 88 HB1 ALA 19 HB1 ALA 19 -1.887 5.188 0.815 89 HB2 ALA 19 HB2 ALA 19 -2.727 3.642 1.087 90 HB3 ALA 19 HB3 ALA 19 -0.957 3.672 0.894 91 H ALA 20 H ALA 20 -0.225 5.448 -1.860 92 HA ALA 20 HA ALA 20 -1.540 7.935 -1.966 93 HB1 ALA 20 HB1 ALA 20 0.896 7.608 -2.205 94 HB2 ALA 20 HB2 ALA 20 0.632 6.939 -3.834 95 HB3 ALA 20 HB3 ALA 20 0.218 8.636 -3.491 96 H GLY 21 H GLY 21 -1.291 5.379 -4.454 97 HA2 GLY 21 HA1 GLY 21 -2.726 6.906 -6.449 98 HA3 GLY 21 HA2 GLY 21 -2.404 5.162 -6.482 99 H GLY 22 H GLY 22 -3.681 4.340 -4.144 100 HA2 GLY 22 HA1 GLY 22 -6.391 5.380 -4.060 101 HA3 GLY 22 HA2 GLY 22 -6.289 3.886 -5.011 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -6.367 1.964 -4.030 2 HA2 GLY 1 HA1 GLY 1 -6.832 2.469 -1.238 3 HA3 GLY 1 HA2 GLY 1 -7.813 1.453 -2.312 4 H CYS 2 H CYS 2 -4.267 1.868 -2.021 5 HA CYS 2 HA CYS 2 -3.869 -0.996 -2.206 6 HB3 CYS 2 HB2 CYS 2 -1.464 -0.093 -1.349 7 H CYS 3 H CYS 3 -3.652 1.418 0.418 8 HA CYS 3 HA CYS 3 -2.715 -0.352 2.429 9 HB3 CYS 3 HB2 CYS 3 -4.151 1.379 3.904 10 H SER 4 H SER 4 -5.951 0.270 1.163 11 HA SER 4 HA SER 4 -7.302 -1.187 3.281 12 HB3 SER 4 HB2 SER 4 -8.556 -0.856 0.576 13 HG SER 4 HG SER 4 -10.300 -0.182 1.934 14 H ASP 5 H ASP 5 -5.967 -1.959 0.107 15 HA ASP 5 HA ASP 5 -7.133 -4.664 0.170 16 HB3 ASP 5 HB2 ASP 5 -5.010 -3.868 -1.796 17 HA PRO 6 HA PRO 6 -3.743 -6.524 2.302 18 HB3 PRO 6 HB2 PRO 6 -5.185 -8.273 2.723 19 HG3 PRO 6 HG2 PRO 6 -6.807 -8.899 1.166 20 HD3 PRO 6 HD2 PRO 6 -7.202 -6.624 1.267 21 H ARG 7 H ARG 7 -4.255 -6.927 -1.164 22 HA ARG 7 HA ARG 7 -1.881 -8.329 -1.806 23 HB3 ARG 7 HB2 ARG 7 -2.142 -7.343 -4.064 24 HG3 ARG 7 HG2 ARG 7 -4.717 -7.795 -4.301 25 HD3 ARG 7 HD2 ARG 7 -2.670 -9.301 -4.810 26 HE ARG 7 HE ARG 7 -1.920 -10.425 -2.944 27 HH11 ARG 7 HH11 ARG 7 -5.448 -10.411 -3.002 28 HH12 ARG 7 HH12 ARG 7 -5.597 -11.504 -1.622 29 HH21 ARG 7 HH21 ARG 7 -2.117 -11.835 -1.163 30 HH22 ARG 7 HH22 ARG 7 -3.718 -12.307 -0.585 31 H CYS 8 H CYS 8 -2.484 -4.789 -1.823 32 HA CYS 8 HA CYS 8 0.272 -4.147 -2.359 33 HB3 CYS 8 HB2 CYS 8 -0.597 -1.844 -1.341 34 H ASN 9 H ASN 9 -1.591 -4.754 0.550 35 HA ASN 9 HA ASN 9 0.262 -3.538 2.387 36 HB3 ASN 9 HB2 ASN 9 -1.005 -5.597 3.784 37 HD21 ASN 9 HD21 ASN 9 0.176 -3.282 4.431 38 HD22 ASN 9 HD22 ASN 9 -1.042 -2.119 5.063 39 H TYR 10 H TYR 10 -0.246 -6.918 1.313 40 HA TYR 10 HA TYR 10 2.025 -7.883 2.845 41 HB3 TYR 10 HB2 TYR 10 0.347 -9.120 0.635 42 HD1 TYR 10 HD1 TYR 10 2.204 -10.092 -0.645 43 HD2 TYR 10 HD2 TYR 10 1.725 -10.914 3.503 44 HE1 TYR 10 HE1 TYR 10 3.747 -11.996 -0.850 45 HE2 TYR 10 HE2 TYR 10 3.268 -12.820 3.309 46 HH TYR 10 HH TYR 10 4.752 -13.870 1.998 47 H ALA 11 H ALA 11 1.476 -6.709 -0.425 48 HA ALA 11 HA ALA 11 4.026 -7.674 -1.443 49 HB1 ALA 11 HB1 ALA 11 3.478 -6.524 -3.450 50 HB2 ALA 11 HB2 ALA 11 1.956 -7.200 -2.821 51 HB3 ALA 11 HB3 ALA 11 2.315 -5.469 -2.611 52 H HIS 12 H HIS 12 2.756 -4.585 -0.201 53 HA HIS 12 HA HIS 12 5.584 -3.604 -0.136 54 HB3 HIS 12 HB2 HIS 12 4.968 -1.472 -0.744 55 HD2 HIS 12 HD2 HIS 12 1.768 -1.023 -2.127 56 HE1 HIS 12 HE1 HIS 12 3.413 -3.818 -4.861 57 HE2 HIS 12 HE2 HIS 12 1.563 -2.111 -4.486 58 HA PRO 13 HA PRO 13 3.751 -3.867 4.180 59 HB3 PRO 13 HB2 PRO 13 4.351 -6.077 4.452 60 HG3 PRO 13 HG2 PRO 13 6.049 -7.032 3.167 61 HD3 PRO 13 HD2 PRO 13 4.776 -6.058 1.499 62 H ALA 14 H ALA 14 7.108 -3.445 3.036 63 HA ALA 14 HA ALA 14 8.143 -2.107 5.289 64 HB1 ALA 14 HB1 ALA 14 9.616 -0.940 3.472 65 HB2 ALA 14 HB2 ALA 14 9.736 -2.699 3.718 66 HB3 ALA 14 HB3 ALA 14 8.789 -2.053 2.356 67 H ILE 15 H ILE 15 6.487 -0.765 2.413 68 HA ILE 15 HA ILE 15 5.676 1.551 4.062 69 HB ILE 15 HB ILE 15 7.052 1.972 1.390 70 HG13 ILE 15 HG12 ILE 15 8.659 1.205 3.109 71 HG21 ILE 15 HG21 ILE 15 6.309 4.072 1.490 72 HG22 ILE 15 HG22 ILE 15 5.262 3.564 2.834 73 HG23 ILE 15 HG23 ILE 15 6.867 4.256 3.170 74 HD11 ILE 15 HD11 ILE 15 9.089 3.266 1.497 75 HD12 ILE 15 HD12 ILE 15 9.183 4.134 3.048 76 HD13 ILE 15 HD13 ILE 15 10.270 2.762 2.728 77 H CYS 16 H CYS 16 3.627 2.068 3.687 78 HA CYS 16 HA CYS 16 2.242 0.732 1.468 79 HB3 CYS 16 HB2 CYS 16 1.094 2.660 3.519 80 H GLY 17 H GLY 17 3.949 2.310 0.225 81 HA2 GLY 17 HA1 GLY 17 3.068 5.019 -0.172 82 HA3 GLY 17 HA2 GLY 17 4.141 4.096 -1.240 83 H GLY 18 H GLY 18 2.247 1.942 -1.730 84 HA2 GLY 18 HA1 GLY 18 1.025 2.906 -4.067 85 HA3 GLY 18 HA2 GLY 18 0.517 1.449 -3.191 86 H ALA 19 H ALA 19 -0.097 3.088 -0.752 87 HA ALA 19 HA ALA 19 -2.864 3.414 -1.188 88 HB1 ALA 19 HB1 ALA 19 -1.039 3.718 0.962 89 HB2 ALA 19 HB2 ALA 19 -2.015 5.204 0.883 90 HB3 ALA 19 HB3 ALA 19 -2.816 3.620 1.025 91 H ALA 20 H ALA 20 -0.184 5.661 -1.633 92 HA ALA 20 HA ALA 20 -1.601 8.091 -1.734 93 HB1 ALA 20 HB1 ALA 20 0.235 8.870 -3.233 94 HB2 ALA 20 HB2 ALA 20 0.807 8.043 -1.765 95 HB3 ALA 20 HB3 ALA 20 0.815 7.189 -3.327 96 H GLY 21 H GLY 21 -1.095 5.630 -4.266 97 HA2 GLY 21 HA1 GLY 21 -2.378 7.189 -6.338 98 HA3 GLY 21 HA2 GLY 21 -2.036 5.448 -6.383 99 H GLY 22 H GLY 22 -3.487 4.492 -4.250 100 HA2 GLY 22 HA1 GLY 22 -6.217 5.529 -4.377 101 HA3 GLY 22 HA2 GLY 22 -5.996 4.030 -5.299
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