NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618896 | 5y0j | 36107 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -17.031 1.516 -0.983 2 H2 ALA 1 HT2 ALA 1 -17.238 2.710 0.194 3 H3 ALA 1 HT3 ALA 1 -17.098 1.089 0.650 4 HA ALA 1 HA ALA 1 -14.981 2.692 -0.654 5 HB1 ALA 1 HB1 ALA 1 -15.182 1.743 2.202 6 HB2 ALA 1 HB2 ALA 1 -15.424 3.401 1.655 7 HB3 ALA 1 HB3 ALA 1 -13.843 2.641 1.490 8 H PHE 2 HN PHE 2 -13.623 1.466 -1.743 9 HA PHE 2 HA PHE 2 -13.327 -1.366 -1.010 10 HB2 PHE 2 HB2 PHE 2 -13.899 -1.074 -3.334 11 HB3 PHE 2 HB1 PHE 2 -12.661 0.157 -3.542 12 HD1 PHE 2 HD1 PHE 2 -10.514 -0.406 -4.192 13 HD2 PHE 2 HD2 PHE 2 -13.176 -3.443 -2.879 14 HE1 PHE 2 HE1 PHE 2 -8.923 -2.109 -4.944 15 HE2 PHE 2 HE2 PHE 2 -11.592 -5.163 -3.628 16 HZ PHE 2 HZ PHE 2 -9.454 -4.502 -4.665 17 H CYS 3 HN CYS 3 -11.393 -2.114 -0.268 18 HA CYS 3 HA CYS 3 -9.245 -0.117 -0.017 19 HB2 CYS 3 HB2 CYS 3 -9.922 -2.249 2.014 20 HB3 CYS 3 HB1 CYS 3 -8.752 -0.945 2.192 21 H TRP 4 HN TRP 4 -7.106 -0.875 -0.127 22 HA TRP 4 HA TRP 4 -6.630 -3.655 -0.756 23 HB2 TRP 4 HB2 TRP 4 -5.724 -3.280 -2.970 24 HB3 TRP 4 HB1 TRP 4 -7.385 -2.714 -2.923 25 HD1 TRP 4 HD1 TRP 4 -3.821 -1.517 -3.459 26 HE1 TRP 4 HE1 TRP 4 -3.870 0.917 -4.297 27 HE3 TRP 4 HE3 TRP 4 -8.779 -0.482 -2.714 28 HZ2 TRP 4 HZ2 TRP 4 -5.734 2.989 -4.589 29 HZ3 TRP 4 HZ3 TRP 4 -9.611 1.755 -3.300 30 HH2 TRP 4 HH2 TRP 4 -8.120 3.456 -4.221 31 H ASN 5 HN ASN 5 -4.280 -4.006 -1.261 32 HA ASN 5 HA ASN 5 -2.727 -2.403 0.605 33 HB2 ASN 5 HB2 ASN 5 -1.033 -4.233 0.395 34 HB3 ASN 5 HB1 ASN 5 -2.594 -4.771 0.996 35 HD21 ASN 5 HD21 ASN 5 -3.926 -6.019 -0.367 36 HD22 ASN 5 HD22 ASN 5 -3.274 -6.869 -1.725 37 H VAL 6 HN VAL 6 -1.845 -0.673 -0.229 38 HA VAL 6 HA VAL 6 -0.724 -0.678 -2.918 39 HB VAL 6 HB VAL 6 -0.641 1.537 -0.865 40 HG11 VAL 6 HG11 VAL 6 -0.200 2.986 -2.765 41 HG12 VAL 6 HG12 VAL 6 -0.288 1.602 -3.857 42 HG13 VAL 6 HG13 VAL 6 1.011 1.705 -2.668 43 HG21 VAL 6 HG21 VAL 6 -2.538 2.525 -2.080 44 HG22 VAL 6 HG22 VAL 6 -2.956 0.989 -1.323 45 HG23 VAL 6 HG23 VAL 6 -2.654 1.064 -3.058 46 H CYS 7 HN CYS 7 1.185 -1.691 -3.061 47 HA CYS 7 HA CYS 7 3.053 -1.466 -0.815 48 HB2 CYS 7 HB2 CYS 7 3.032 -3.430 -3.110 49 HB3 CYS 7 HB1 CYS 7 4.188 -3.417 -1.782 50 H VAL 8 HN VAL 8 4.337 0.191 -1.025 51 HA VAL 8 HA VAL 8 5.271 0.994 -3.689 52 HB VAL 8 HB VAL 8 5.444 2.473 -1.064 53 HG11 VAL 8 HG11 VAL 8 7.240 3.154 -2.516 54 HG12 VAL 8 HG12 VAL 8 6.022 4.431 -2.461 55 HG13 VAL 8 HG13 VAL 8 6.116 3.361 -3.861 56 HG21 VAL 8 HG21 VAL 8 3.582 2.866 -3.400 57 HG22 VAL 8 HG22 VAL 8 3.698 3.928 -1.997 58 HG23 VAL 8 HG23 VAL 8 3.143 2.265 -1.802 59 H TYR 9 HN TYR 9 7.340 0.808 -4.263 60 HA TYR 9 HA TYR 9 9.256 -0.191 -2.310 61 HB2 TYR 9 HB2 TYR 9 9.009 -0.292 -5.246 62 HB3 TYR 9 HB1 TYR 9 10.642 -0.061 -4.642 63 HD1 TYR 9 HD1 TYR 9 8.024 -2.425 -5.238 64 HD2 TYR 9 HD2 TYR 9 11.518 -1.712 -2.920 65 HE1 TYR 9 HE1 TYR 9 8.195 -4.832 -4.759 66 HE2 TYR 9 HE2 TYR 9 11.700 -4.110 -2.439 67 HH TYR 9 HH TYR 9 9.920 -6.465 -4.113 68 H ARG 10 HN ARG 10 9.885 1.493 -1.111 69 HA ARG 10 HA ARG 10 11.278 3.642 -2.535 70 HB2 ARG 10 HB2 ARG 10 10.570 5.209 -0.800 71 HB3 ARG 10 HB1 ARG 10 9.190 4.524 -1.627 72 HG2 ARG 10 HG2 ARG 10 8.831 3.004 0.223 73 HG3 ARG 10 HG1 ARG 10 10.226 3.670 1.060 74 HD2 ARG 10 HD2 ARG 10 8.112 4.604 1.900 75 HD3 ARG 10 HD1 ARG 10 9.160 5.834 1.202 76 HE ARG 10 HE ARG 10 7.622 5.329 -0.880 77 HH11 ARG 10 HH11 ARG 10 6.737 5.696 2.484 78 HH12 ARG 10 HH12 ARG 10 5.162 6.334 2.133 79 HH21 ARG 10 HH21 ARG 10 5.548 6.196 -1.350 80 HH22 ARG 10 HH22 ARG 10 4.490 6.626 -0.040 81 H ASN 11 HN ASN 11 13.278 4.043 -1.833 82 HA ASN 11 HA ASN 11 15.311 3.577 -0.913 83 HB2 ASN 11 HB2 ASN 11 13.609 3.120 1.548 84 HB3 ASN 11 HB1 ASN 11 15.367 3.120 1.564 85 HD21 ASN 11 HD21 ASN 11 12.505 5.042 1.288 86 HD22 ASN 11 HD22 ASN 11 13.278 6.584 1.416 87 H ALA 12 HN ALA 12 13.781 1.545 -2.245 88 HA ALA 12 HA ALA 12 13.832 -0.646 -2.788 89 HB1 ALA 12 HB1 ALA 12 16.079 -0.886 -0.792 90 HB2 ALA 12 HB2 ALA 12 16.259 -0.489 -2.501 91 HB3 ALA 12 HB3 ALA 12 15.641 -2.071 -2.024 92 H VAL 13 HN VAL 13 12.746 0.504 0.003 93 HA VAL 13 HA VAL 13 12.131 -2.040 1.290 94 HB VAL 13 HB VAL 13 11.265 0.748 2.078 95 HG11 VAL 13 HG11 VAL 13 11.235 -1.833 3.627 96 HG12 VAL 13 HG12 VAL 13 9.830 -0.985 2.986 97 HG13 VAL 13 HG13 VAL 13 10.798 -0.249 4.263 98 HG21 VAL 13 HG21 VAL 13 13.029 0.681 3.760 99 HG22 VAL 13 HG22 VAL 13 13.702 0.546 2.134 100 HG23 VAL 13 HG23 VAL 13 13.557 -0.887 3.153 101 H ARG 14 HN ARG 14 10.210 -3.035 1.099 102 HA ARG 14 HA ARG 14 8.230 -1.834 -0.657 103 HB2 ARG 14 HB2 ARG 14 9.116 -4.198 -0.968 104 HB3 ARG 14 HB1 ARG 14 8.219 -4.629 0.484 105 HG2 ARG 14 HG2 ARG 14 6.148 -4.000 -0.570 106 HG3 ARG 14 HG1 ARG 14 7.030 -3.426 -1.984 107 HD2 ARG 14 HD2 ARG 14 6.118 -5.599 -2.460 108 HD3 ARG 14 HD1 ARG 14 7.871 -5.717 -2.348 109 HE ARG 14 HE ARG 14 6.086 -6.478 -0.128 110 HH11 ARG 14 HH11 ARG 14 8.868 -7.101 -2.176 111 HH12 ARG 14 HH12 ARG 14 9.241 -8.614 -1.412 112 HH21 ARG 14 HH21 ARG 14 6.583 -8.455 0.876 113 HH22 ARG 14 HH22 ARG 14 7.942 -9.381 0.325 114 H VAL 15 HN VAL 15 7.007 -0.463 0.494 115 HA VAL 15 HA VAL 15 5.952 -1.389 3.074 116 HB VAL 15 HB VAL 15 5.276 1.009 3.418 117 HG11 VAL 15 HG11 VAL 15 7.278 0.073 4.444 118 HG12 VAL 15 HG12 VAL 15 7.531 1.761 3.992 119 HG13 VAL 15 HG13 VAL 15 8.214 0.472 3.002 120 HG21 VAL 15 HG21 VAL 15 5.248 1.790 1.135 121 HG22 VAL 15 HG22 VAL 15 6.965 1.434 0.956 122 HG23 VAL 15 HG23 VAL 15 6.440 2.711 2.051 123 H CYS 16 HN CYS 16 4.065 -2.344 2.937 124 HA CYS 16 HA CYS 16 2.193 -1.582 0.836 125 HB2 CYS 16 HB2 CYS 16 2.084 -3.854 2.830 126 HB3 CYS 16 HB1 CYS 16 0.925 -3.578 1.533 127 H HIS 17 HN HIS 17 0.659 -0.184 1.182 128 HA HIS 17 HA HIS 17 -0.181 0.368 3.956 129 HB2 HIS 17 HB2 HIS 17 -0.876 2.155 1.654 130 HB3 HIS 17 HB1 HIS 17 -0.678 2.566 3.348 131 HD1 HIS 17 HD1 HIS 17 0.755 3.527 0.444 132 HD2 HIS 17 HD2 HIS 17 2.419 1.811 3.846 133 HE1 HIS 17 HE1 HIS 17 3.185 4.156 0.402 134 HE2 HIS 17 HE2 HIS 17 4.112 3.291 2.577 135 H ARG 18 HN ARG 18 -2.348 0.208 4.480 136 HA ARG 18 HA ARG 18 -4.065 -0.954 2.422 137 HB2 ARG 18 HB2 ARG 18 -3.984 -2.123 4.566 138 HB3 ARG 18 HB1 ARG 18 -4.487 -0.661 5.402 139 HG2 ARG 18 HG2 ARG 18 -6.649 -0.750 4.440 140 HG3 ARG 18 HG1 ARG 18 -6.162 -2.014 3.309 141 HD2 ARG 18 HD2 ARG 18 -5.933 -3.602 5.062 142 HD3 ARG 18 HD1 ARG 18 -6.121 -2.357 6.296 143 HE ARG 18 HE ARG 18 -8.453 -2.142 5.100 144 HH11 ARG 18 HH11 ARG 18 -6.700 -5.069 5.896 145 HH12 ARG 18 HH12 ARG 18 -8.139 -6.002 6.166 146 HH21 ARG 18 HH21 ARG 18 -10.338 -3.364 5.457 147 HH22 ARG 18 HH22 ARG 18 -10.201 -5.038 5.901 148 H ARG 19 HN ARG 19 -4.834 0.640 1.169 149 HA ARG 19 HA ARG 19 -6.008 2.979 2.521 150 HB2 ARG 19 HB2 ARG 19 -5.234 4.359 0.869 151 HB3 ARG 19 HB1 ARG 19 -4.001 3.114 0.770 152 HG2 ARG 19 HG2 ARG 19 -4.465 3.094 -1.407 153 HG3 ARG 19 HG1 ARG 19 -5.905 2.175 -0.959 154 HD2 ARG 19 HD2 ARG 19 -6.614 3.967 -2.359 155 HD3 ARG 19 HD1 ARG 19 -7.106 4.362 -0.710 156 HE ARG 19 HE ARG 19 -4.568 5.453 -1.652 157 HH11 ARG 19 HH11 ARG 19 -7.963 6.004 -0.942 158 HH12 ARG 19 HH12 ARG 19 -7.803 7.733 -0.945 159 HH21 ARG 19 HH21 ARG 19 -4.372 7.726 -1.649 160 HH22 ARG 19 HH22 ARG 19 -5.771 8.708 -1.344 161 H CYS 20 HN CYS 20 -7.922 3.884 1.495 162 HA CYS 20 HA CYS 20 -9.492 1.884 0.017 163 HB2 CYS 20 HB2 CYS 20 -10.559 3.700 2.184 164 HB3 CYS 20 HB1 CYS 20 -11.447 2.440 1.335 165 H ASN 21 HN ASN 21 -11.161 2.782 -1.340 166 HA ASN 21 HA ASN 21 -10.491 5.512 -2.204 167 HB2 ASN 21 HB2 ASN 21 -11.323 4.946 -4.377 168 HB3 ASN 21 HB1 ASN 21 -10.260 3.639 -3.870 169 HD21 ASN 21 HD21 ASN 21 -12.357 3.608 -5.846 170 HD22 ASN 21 HD22 ASN 21 -13.483 2.396 -5.349 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -16.684 -0.226 1.622 2 H2 ALA 1 HT2 ALA 1 -17.030 0.315 0.059 3 H3 ALA 1 HT3 ALA 1 -17.260 1.345 1.381 4 HA ALA 1 HA ALA 1 -15.264 1.912 0.156 5 HB1 ALA 1 HB1 ALA 1 -13.747 1.986 2.050 6 HB2 ALA 1 HB2 ALA 1 -14.697 0.756 2.885 7 HB3 ALA 1 HB3 ALA 1 -15.393 2.345 2.569 8 H PHE 2 HN PHE 2 -13.982 1.079 -1.324 9 HA PHE 2 HA PHE 2 -13.231 -1.735 -1.184 10 HB2 PHE 2 HB2 PHE 2 -14.083 -0.815 -3.305 11 HB3 PHE 2 HB1 PHE 2 -12.761 0.341 -3.336 12 HD1 PHE 2 HD1 PHE 2 -10.507 -0.371 -3.846 13 HD2 PHE 2 HD2 PHE 2 -13.756 -3.106 -3.881 14 HE1 PHE 2 HE1 PHE 2 -9.135 -1.968 -5.099 15 HE2 PHE 2 HE2 PHE 2 -12.393 -4.713 -5.137 16 HZ PHE 2 HZ PHE 2 -10.075 -4.154 -5.751 17 H CYS 3 HN CYS 3 -11.331 -2.373 -0.385 18 HA CYS 3 HA CYS 3 -9.246 -0.325 -0.006 19 HB2 CYS 3 HB2 CYS 3 -9.838 -2.674 1.803 20 HB3 CYS 3 HB1 CYS 3 -8.665 -1.395 2.091 21 H TRP 4 HN TRP 4 -7.159 -0.852 -0.493 22 HA TRP 4 HA TRP 4 -6.504 -3.635 -1.053 23 HB2 TRP 4 HB2 TRP 4 -5.560 -3.204 -3.214 24 HB3 TRP 4 HB1 TRP 4 -7.206 -2.593 -3.225 25 HD1 TRP 4 HD1 TRP 4 -3.565 -1.361 -3.210 26 HE1 TRP 4 HE1 TRP 4 -3.522 1.049 -4.110 27 HE3 TRP 4 HE3 TRP 4 -8.587 -0.509 -3.508 28 HZ2 TRP 4 HZ2 TRP 4 -5.355 3.042 -4.836 29 HZ3 TRP 4 HZ3 TRP 4 -9.360 1.678 -4.320 30 HH2 TRP 4 HH2 TRP 4 -7.781 3.421 -4.971 31 H ASN 5 HN ASN 5 -4.139 -3.926 -1.354 32 HA ASN 5 HA ASN 5 -2.750 -2.313 0.612 33 HB2 ASN 5 HB2 ASN 5 -0.970 -4.011 0.450 34 HB3 ASN 5 HB1 ASN 5 -2.536 -4.736 0.778 35 HD21 ASN 5 HD21 ASN 5 -0.113 -5.888 -0.359 36 HD22 ASN 5 HD22 ASN 5 -0.567 -6.542 -1.894 37 H VAL 6 HN VAL 6 -1.826 -0.507 -0.026 38 HA VAL 6 HA VAL 6 -0.745 -0.230 -2.713 39 HB VAL 6 HB VAL 6 -0.672 1.756 -0.434 40 HG11 VAL 6 HG11 VAL 6 -0.262 3.392 -2.223 41 HG12 VAL 6 HG12 VAL 6 -0.220 2.077 -3.397 42 HG13 VAL 6 HG13 VAL 6 1.006 2.168 -2.134 43 HG21 VAL 6 HG21 VAL 6 -2.981 1.205 -1.028 44 HG22 VAL 6 HG22 VAL 6 -2.633 1.567 -2.719 45 HG23 VAL 6 HG23 VAL 6 -2.568 2.850 -1.511 46 H CYS 7 HN CYS 7 1.145 -1.235 -2.986 47 HA CYS 7 HA CYS 7 3.087 -1.187 -0.786 48 HB2 CYS 7 HB2 CYS 7 2.896 -3.057 -3.152 49 HB3 CYS 7 HB1 CYS 7 4.109 -3.142 -1.878 50 H VAL 8 HN VAL 8 4.504 0.371 -0.979 51 HA VAL 8 HA VAL 8 5.443 1.123 -3.669 52 HB VAL 8 HB VAL 8 5.728 2.678 -1.099 53 HG11 VAL 8 HG11 VAL 8 6.242 3.469 -3.958 54 HG12 VAL 8 HG12 VAL 8 7.457 3.221 -2.702 55 HG13 VAL 8 HG13 VAL 8 6.314 4.557 -2.572 56 HG21 VAL 8 HG21 VAL 8 3.383 2.524 -1.696 57 HG22 VAL 8 HG22 VAL 8 3.748 3.045 -3.342 58 HG23 VAL 8 HG23 VAL 8 3.978 4.159 -1.993 59 H TYR 9 HN TYR 9 7.496 0.761 -4.217 60 HA TYR 9 HA TYR 9 9.331 -0.315 -2.223 61 HB2 TYR 9 HB2 TYR 9 8.929 -0.897 -4.912 62 HB3 TYR 9 HB1 TYR 9 10.410 0.047 -4.914 63 HD1 TYR 9 HD1 TYR 9 8.816 -2.911 -3.310 64 HD2 TYR 9 HD2 TYR 9 12.438 -0.962 -4.394 65 HE1 TYR 9 HE1 TYR 9 10.087 -4.906 -2.632 66 HE2 TYR 9 HE2 TYR 9 13.718 -2.951 -3.720 67 HH TYR 9 HH TYR 9 13.396 -4.908 -2.146 68 H ARG 10 HN ARG 10 10.130 1.309 -1.015 69 HA ARG 10 HA ARG 10 11.219 3.640 -2.452 70 HB2 ARG 10 HB2 ARG 10 9.076 4.118 -1.228 71 HB3 ARG 10 HB1 ARG 10 9.906 3.718 0.268 72 HG2 ARG 10 HG2 ARG 10 11.470 5.542 -0.092 73 HG3 ARG 10 HG1 ARG 10 10.682 5.923 -1.623 74 HD2 ARG 10 HD2 ARG 10 8.618 6.444 -0.454 75 HD3 ARG 10 HD1 ARG 10 9.362 6.012 1.084 76 HE ARG 10 HE ARG 10 11.004 7.897 0.437 77 HH11 ARG 10 HH11 ARG 10 7.560 7.865 -0.206 78 HH12 ARG 10 HH12 ARG 10 7.414 9.592 -0.183 79 HH21 ARG 10 HH21 ARG 10 10.814 10.165 0.455 80 HH22 ARG 10 HH22 ARG 10 9.266 10.901 0.189 81 H ASN 11 HN ASN 11 13.324 3.801 -2.195 82 HA ASN 11 HA ASN 11 15.440 3.392 -1.499 83 HB2 ASN 11 HB2 ASN 11 14.160 3.384 1.248 84 HB3 ASN 11 HB1 ASN 11 15.896 3.403 0.951 85 HD21 ASN 11 HD21 ASN 11 12.979 5.228 0.973 86 HD22 ASN 11 HD22 ASN 11 13.690 6.775 0.672 87 H ALA 12 HN ALA 12 13.856 1.296 -2.377 88 HA ALA 12 HA ALA 12 13.974 -0.926 -2.725 89 HB1 ALA 12 HB1 ALA 12 16.391 -0.850 -0.923 90 HB2 ALA 12 HB2 ALA 12 16.397 -0.568 -2.665 91 HB3 ALA 12 HB3 ALA 12 15.948 -2.150 -2.028 92 H VAL 13 HN VAL 13 12.491 0.181 -0.369 93 HA VAL 13 HA VAL 13 12.150 -2.440 0.932 94 HB VAL 13 HB VAL 13 12.905 -0.497 2.431 95 HG11 VAL 13 HG11 VAL 13 11.128 0.930 3.318 96 HG12 VAL 13 HG12 VAL 13 10.025 0.289 2.102 97 HG13 VAL 13 HG13 VAL 13 11.431 1.229 1.608 98 HG21 VAL 13 HG21 VAL 13 10.441 -2.068 3.136 99 HG22 VAL 13 HG22 VAL 13 11.504 -1.266 4.292 100 HG23 VAL 13 HG23 VAL 13 12.112 -2.602 3.315 101 H ARG 14 HN ARG 14 10.024 -3.152 1.227 102 HA ARG 14 HA ARG 14 8.102 -1.842 -0.558 103 HB2 ARG 14 HB2 ARG 14 8.662 -4.143 -1.145 104 HB3 ARG 14 HB1 ARG 14 8.186 -4.679 0.460 105 HG2 ARG 14 HG2 ARG 14 5.909 -3.975 0.041 106 HG3 ARG 14 HG1 ARG 14 6.363 -3.415 -1.570 107 HD2 ARG 14 HD2 ARG 14 6.617 -6.246 -0.582 108 HD3 ARG 14 HD1 ARG 14 5.293 -5.640 -1.573 109 HE ARG 14 HE ARG 14 7.196 -5.055 -3.200 110 HH11 ARG 14 HH11 ARG 14 7.114 -7.871 -1.116 111 HH12 ARG 14 HH12 ARG 14 8.112 -8.823 -2.164 112 HH21 ARG 14 HH21 ARG 14 8.479 -6.315 -4.586 113 HH22 ARG 14 HH22 ARG 14 8.896 -7.941 -4.139 114 H VAL 15 HN VAL 15 7.043 -0.401 0.691 115 HA VAL 15 HA VAL 15 5.876 -1.365 3.203 116 HB VAL 15 HB VAL 15 5.248 1.041 3.575 117 HG11 VAL 15 HG11 VAL 15 8.179 0.418 3.242 118 HG12 VAL 15 HG12 VAL 15 7.188 0.059 4.656 119 HG13 VAL 15 HG13 VAL 15 7.517 1.734 4.212 120 HG21 VAL 15 HG21 VAL 15 5.294 1.865 1.314 121 HG22 VAL 15 HG22 VAL 15 7.007 1.470 1.165 122 HG23 VAL 15 HG23 VAL 15 6.488 2.740 2.272 123 H CYS 16 HN CYS 16 3.859 -2.043 3.203 124 HA CYS 16 HA CYS 16 2.121 -1.237 0.978 125 HB2 CYS 16 HB2 CYS 16 1.925 -3.653 2.783 126 HB3 CYS 16 HB1 CYS 16 0.835 -3.268 1.454 127 H HIS 17 HN HIS 17 0.650 0.196 1.406 128 HA HIS 17 HA HIS 17 -0.380 0.446 4.164 129 HB2 HIS 17 HB2 HIS 17 -0.992 2.590 2.218 130 HB3 HIS 17 HB1 HIS 17 -0.534 2.712 3.908 131 HD1 HIS 17 HD1 HIS 17 0.627 3.679 0.747 132 HD2 HIS 17 HD2 HIS 17 2.477 2.036 4.082 133 HE1 HIS 17 HE1 HIS 17 3.067 4.229 0.508 134 HE2 HIS 17 HE2 HIS 17 4.100 3.467 2.676 135 H ARG 18 HN ARG 18 -2.552 0.081 4.486 136 HA ARG 18 HA ARG 18 -4.021 -0.835 2.146 137 HB2 ARG 18 HB2 ARG 18 -3.956 -2.150 4.304 138 HB3 ARG 18 HB1 ARG 18 -4.952 -0.886 5.016 139 HG2 ARG 18 HG2 ARG 18 -6.680 -1.313 3.337 140 HG3 ARG 18 HG1 ARG 18 -5.687 -2.599 2.654 141 HD2 ARG 18 HD2 ARG 18 -5.748 -3.705 4.906 142 HD3 ARG 18 HD1 ARG 18 -6.937 -2.497 5.391 143 HE ARG 18 HE ARG 18 -7.369 -4.354 3.136 144 HH11 ARG 18 HH11 ARG 18 -8.523 -2.733 6.029 145 HH12 ARG 18 HH12 ARG 18 -10.123 -3.393 5.905 146 HH21 ARG 18 HH21 ARG 18 -9.475 -5.215 2.988 147 HH22 ARG 18 HH22 ARG 18 -10.661 -4.794 4.183 148 H ARG 19 HN ARG 19 -4.820 0.826 1.022 149 HA ARG 19 HA ARG 19 -6.190 2.976 2.480 150 HB2 ARG 19 HB2 ARG 19 -5.768 4.402 0.694 151 HB3 ARG 19 HB1 ARG 19 -4.332 3.392 0.697 152 HG2 ARG 19 HG2 ARG 19 -4.754 3.227 -1.496 153 HG3 ARG 19 HG1 ARG 19 -5.912 1.992 -0.993 154 HD2 ARG 19 HD2 ARG 19 -7.040 3.461 -2.485 155 HD3 ARG 19 HD1 ARG 19 -7.644 3.799 -0.859 156 HE ARG 19 HE ARG 19 -5.451 5.488 -1.611 157 HH11 ARG 19 HH11 ARG 19 -8.920 5.086 -1.842 158 HH12 ARG 19 HH12 ARG 19 -9.221 6.762 -2.156 159 HH21 ARG 19 HH21 ARG 19 -5.857 7.700 -2.015 160 HH22 ARG 19 HH22 ARG 19 -7.486 8.246 -2.255 161 H CYS 20 HN CYS 20 -8.207 3.803 1.440 162 HA CYS 20 HA CYS 20 -9.754 1.661 0.161 163 HB2 CYS 20 HB2 CYS 20 -10.651 3.226 2.582 164 HB3 CYS 20 HB1 CYS 20 -11.597 2.010 1.733 165 H ASN 21 HN ASN 21 -11.482 2.388 -1.124 166 HA ASN 21 HA ASN 21 -11.865 5.303 -1.218 167 HB2 ASN 21 HB2 ASN 21 -12.117 5.278 -3.600 168 HB3 ASN 21 HB1 ASN 21 -10.605 4.470 -3.222 169 HD21 ASN 21 HD21 ASN 21 -10.523 2.191 -3.400 170 HD22 ASN 21 HD22 ASN 21 -11.587 1.358 -4.473 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -17.373 0.846 2.275 2 H2 ALA 1 HT2 ALA 1 -16.576 -0.583 2.687 3 H3 ALA 1 HT3 ALA 1 -17.170 -0.368 1.122 4 HA ALA 1 HA ALA 1 -15.631 1.414 0.724 5 HB1 ALA 1 HB1 ALA 1 -15.495 2.227 3.027 6 HB2 ALA 1 HB2 ALA 1 -13.893 1.931 2.348 7 HB3 ALA 1 HB3 ALA 1 -14.596 0.781 3.485 8 H PHE 2 HN PHE 2 -14.595 0.388 -0.826 9 HA PHE 2 HA PHE 2 -13.405 -2.208 -0.450 10 HB2 PHE 2 HB2 PHE 2 -14.432 -1.675 -2.594 11 HB3 PHE 2 HB1 PHE 2 -13.370 -0.288 -2.792 12 HD1 PHE 2 HD1 PHE 2 -11.099 -0.557 -3.511 13 HD2 PHE 2 HD2 PHE 2 -13.609 -3.925 -2.882 14 HE1 PHE 2 HE1 PHE 2 -9.482 -1.979 -4.688 15 HE2 PHE 2 HE2 PHE 2 -12.008 -5.353 -4.062 16 HZ PHE 2 HZ PHE 2 -9.924 -4.339 -5.019 17 H CYS 3 HN CYS 3 -11.300 -2.644 -0.045 18 HA CYS 3 HA CYS 3 -9.418 -0.393 -0.066 19 HB2 CYS 3 HB2 CYS 3 -9.655 -2.425 2.160 20 HB3 CYS 3 HB1 CYS 3 -8.504 -1.097 2.081 21 H TRP 4 HN TRP 4 -7.211 -0.977 -0.218 22 HA TRP 4 HA TRP 4 -6.576 -3.712 -0.981 23 HB2 TRP 4 HB2 TRP 4 -5.621 -3.044 -3.144 24 HB3 TRP 4 HB1 TRP 4 -7.343 -2.691 -3.085 25 HD1 TRP 4 HD1 TRP 4 -3.930 -0.941 -3.141 26 HE1 TRP 4 HE1 TRP 4 -4.286 1.528 -3.802 27 HE3 TRP 4 HE3 TRP 4 -9.043 -0.777 -3.081 28 HZ2 TRP 4 HZ2 TRP 4 -6.385 3.271 -4.248 29 HZ3 TRP 4 HZ3 TRP 4 -10.153 1.349 -3.650 30 HH2 TRP 4 HH2 TRP 4 -8.853 3.336 -4.224 31 H ASN 5 HN ASN 5 -4.091 -3.637 -1.726 32 HA ASN 5 HA ASN 5 -2.745 -2.068 0.347 33 HB2 ASN 5 HB2 ASN 5 -0.925 -3.727 0.213 34 HB3 ASN 5 HB1 ASN 5 -2.467 -4.459 0.627 35 HD21 ASN 5 HD21 ASN 5 -0.063 -5.652 -0.501 36 HD22 ASN 5 HD22 ASN 5 -0.550 -6.396 -1.983 37 H VAL 6 HN VAL 6 -1.866 -0.278 -0.364 38 HA VAL 6 HA VAL 6 -0.659 -0.171 -3.018 39 HB VAL 6 HB VAL 6 -0.945 1.987 -0.905 40 HG11 VAL 6 HG11 VAL 6 -0.143 3.529 -2.656 41 HG12 VAL 6 HG12 VAL 6 0.199 2.147 -3.694 42 HG13 VAL 6 HG13 VAL 6 1.084 2.353 -2.185 43 HG21 VAL 6 HG21 VAL 6 -2.301 1.639 -3.582 44 HG22 VAL 6 HG22 VAL 6 -2.536 2.986 -2.471 45 HG23 VAL 6 HG23 VAL 6 -3.045 1.364 -2.010 46 H CYS 7 HN CYS 7 1.250 -1.086 -3.152 47 HA CYS 7 HA CYS 7 3.053 -1.006 -0.848 48 HB2 CYS 7 HB2 CYS 7 3.083 -2.763 -3.304 49 HB3 CYS 7 HB1 CYS 7 4.248 -2.845 -1.989 50 H VAL 8 HN VAL 8 4.400 0.627 -0.871 51 HA VAL 8 HA VAL 8 5.425 1.652 -3.419 52 HB VAL 8 HB VAL 8 5.778 2.772 -0.641 53 HG11 VAL 8 HG11 VAL 8 6.333 3.991 -3.337 54 HG12 VAL 8 HG12 VAL 8 7.529 3.510 -2.132 55 HG13 VAL 8 HG13 VAL 8 6.427 4.846 -1.797 56 HG21 VAL 8 HG21 VAL 8 4.079 4.431 -1.273 57 HG22 VAL 8 HG22 VAL 8 3.431 2.791 -1.239 58 HG23 VAL 8 HG23 VAL 8 3.808 3.556 -2.782 59 H TYR 9 HN TYR 9 7.461 1.296 -4.045 60 HA TYR 9 HA TYR 9 9.273 -0.072 -2.225 61 HB2 TYR 9 HB2 TYR 9 9.053 0.209 -5.163 62 HB3 TYR 9 HB1 TYR 9 10.683 0.142 -4.517 63 HD1 TYR 9 HD1 TYR 9 7.581 -1.694 -5.048 64 HD2 TYR 9 HD2 TYR 9 11.504 -1.877 -3.413 65 HE1 TYR 9 HE1 TYR 9 7.400 -4.140 -4.913 66 HE2 TYR 9 HE2 TYR 9 11.337 -4.325 -3.272 67 HH TYR 9 HH TYR 9 8.834 -6.094 -4.795 68 H ARG 10 HN ARG 10 10.084 1.374 -0.862 69 HA ARG 10 HA ARG 10 11.375 3.756 -2.021 70 HB2 ARG 10 HB2 ARG 10 9.386 4.151 -0.490 71 HB3 ARG 10 HB1 ARG 10 10.366 3.493 0.812 72 HG2 ARG 10 HG2 ARG 10 12.050 5.255 0.364 73 HG3 ARG 10 HG1 ARG 10 10.940 5.941 -0.828 74 HD2 ARG 10 HD2 ARG 10 9.263 6.257 0.918 75 HD3 ARG 10 HD1 ARG 10 10.373 5.580 2.109 76 HE ARG 10 HE ARG 10 11.875 7.526 1.370 77 HH11 ARG 10 HH11 ARG 10 8.378 7.650 1.502 78 HH12 ARG 10 HH12 ARG 10 8.323 9.357 1.788 79 HH21 ARG 10 HH21 ARG 10 11.805 9.779 1.732 80 HH22 ARG 10 HH22 ARG 10 10.271 10.570 1.906 81 H ASN 11 HN ASN 11 13.504 3.529 -2.035 82 HA ASN 11 HA ASN 11 15.617 2.858 -1.531 83 HB2 ASN 11 HB2 ASN 11 14.539 2.799 1.301 84 HB3 ASN 11 HB1 ASN 11 16.243 2.722 0.867 85 HD21 ASN 11 HD21 ASN 11 14.712 4.676 2.450 86 HD22 ASN 11 HD22 ASN 11 15.021 6.208 1.711 87 H ALA 12 HN ALA 12 13.865 0.961 -2.444 88 HA ALA 12 HA ALA 12 13.748 -1.250 -2.877 89 HB1 ALA 12 HB1 ALA 12 16.185 -1.275 -2.588 90 HB2 ALA 12 HB2 ALA 12 15.422 -2.781 -2.076 91 HB3 ALA 12 HB3 ALA 12 15.965 -1.612 -0.871 92 H VAL 13 HN VAL 13 12.973 0.094 0.039 93 HA VAL 13 HA VAL 13 11.999 -2.374 1.246 94 HB VAL 13 HB VAL 13 11.602 0.457 2.212 95 HG11 VAL 13 HG11 VAL 13 11.288 -2.184 3.626 96 HG12 VAL 13 HG12 VAL 13 9.987 -1.109 3.123 97 HG13 VAL 13 HG13 VAL 13 11.120 -0.596 4.372 98 HG21 VAL 13 HG21 VAL 13 13.979 -0.056 2.115 99 HG22 VAL 13 HG22 VAL 13 13.705 -1.549 3.015 100 HG23 VAL 13 HG23 VAL 13 13.428 0.011 3.789 101 H ARG 14 HN ARG 14 10.035 -3.108 0.930 102 HA ARG 14 HA ARG 14 8.146 -1.553 -0.625 103 HB2 ARG 14 HB2 ARG 14 8.763 -3.957 -1.154 104 HB3 ARG 14 HB1 ARG 14 7.888 -4.411 0.306 105 HG2 ARG 14 HG2 ARG 14 5.885 -3.264 -0.654 106 HG3 ARG 14 HG1 ARG 14 6.804 -3.097 -2.151 107 HD2 ARG 14 HD2 ARG 14 5.402 -5.047 -2.311 108 HD3 ARG 14 HD1 ARG 14 7.087 -5.557 -2.198 109 HE ARG 14 HE ARG 14 5.905 -5.469 0.374 110 HH11 ARG 14 HH11 ARG 14 5.963 -7.387 -2.556 111 HH12 ARG 14 HH12 ARG 14 5.538 -8.861 -1.745 112 HH21 ARG 14 HH21 ARG 14 5.345 -7.395 1.438 113 HH22 ARG 14 HH22 ARG 14 5.202 -8.868 0.529 114 H VAL 15 HN VAL 15 7.015 -0.183 0.647 115 HA VAL 15 HA VAL 15 5.867 -1.265 3.120 116 HB VAL 15 HB VAL 15 5.230 1.070 3.664 117 HG11 VAL 15 HG11 VAL 15 8.156 0.626 3.096 118 HG12 VAL 15 HG12 VAL 15 7.283 0.127 4.543 119 HG13 VAL 15 HG13 VAL 15 7.499 1.840 4.194 120 HG21 VAL 15 HG21 VAL 15 6.798 1.752 1.180 121 HG22 VAL 15 HG22 VAL 15 6.276 2.914 2.401 122 HG23 VAL 15 HG23 VAL 15 5.077 2.030 1.457 123 H CYS 16 HN CYS 16 3.901 -2.070 3.023 124 HA CYS 16 HA CYS 16 2.142 -1.185 0.849 125 HB2 CYS 16 HB2 CYS 16 1.973 -3.674 2.553 126 HB3 CYS 16 HB1 CYS 16 0.905 -3.271 1.215 127 H HIS 17 HN HIS 17 0.479 0.048 1.276 128 HA HIS 17 HA HIS 17 -0.347 0.401 4.087 129 HB2 HIS 17 HB2 HIS 17 -1.174 2.213 1.834 130 HB3 HIS 17 HB1 HIS 17 -1.035 2.582 3.546 131 HD1 HIS 17 HD1 HIS 17 0.341 3.820 0.769 132 HD2 HIS 17 HD2 HIS 17 2.125 1.940 4.012 133 HE1 HIS 17 HE1 HIS 17 2.730 4.587 0.763 134 HE2 HIS 17 HE2 HIS 17 3.698 3.651 2.891 135 H ARG 18 HN ARG 18 -2.648 0.479 4.548 136 HA ARG 18 HA ARG 18 -4.266 -0.953 2.600 137 HB2 ARG 18 HB2 ARG 18 -4.534 -1.629 4.930 138 HB3 ARG 18 HB1 ARG 18 -4.966 0.017 5.380 139 HG2 ARG 18 HG2 ARG 18 -7.004 -0.093 4.179 140 HG3 ARG 18 HG1 ARG 18 -6.538 -1.602 3.395 141 HD2 ARG 18 HD2 ARG 18 -6.616 -2.752 5.530 142 HD3 ARG 18 HD1 ARG 18 -7.023 -1.246 6.348 143 HE ARG 18 HE ARG 18 -9.075 -1.311 4.819 144 HH11 ARG 18 HH11 ARG 18 -7.481 -4.153 6.092 145 HH12 ARG 18 HH12 ARG 18 -8.917 -5.126 6.069 146 HH21 ARG 18 HH21 ARG 18 -10.979 -2.599 4.800 147 HH22 ARG 18 HH22 ARG 18 -10.902 -4.244 5.348 148 H ARG 19 HN ARG 19 -4.821 0.282 0.988 149 HA ARG 19 HA ARG 19 -5.677 3.036 1.465 150 HB2 ARG 19 HB2 ARG 19 -3.938 2.791 -0.166 151 HB3 ARG 19 HB1 ARG 19 -4.815 1.512 -0.989 152 HG2 ARG 19 HG2 ARG 19 -4.899 3.552 -2.248 153 HG3 ARG 19 HG1 ARG 19 -6.513 3.114 -1.684 154 HD2 ARG 19 HD2 ARG 19 -6.030 5.517 -1.489 155 HD3 ARG 19 HD1 ARG 19 -6.383 4.765 0.067 156 HE ARG 19 HE ARG 19 -3.692 4.661 -0.045 157 HH11 ARG 19 HH11 ARG 19 -5.968 7.279 -0.520 158 HH12 ARG 19 HH12 ARG 19 -4.860 8.501 0.022 159 HH21 ARG 19 HH21 ARG 19 -2.244 6.272 0.668 160 HH22 ARG 19 HH22 ARG 19 -2.755 7.931 0.699 161 H CYS 20 HN CYS 20 -7.755 3.593 1.283 162 HA CYS 20 HA CYS 20 -9.608 1.625 0.120 163 HB2 CYS 20 HB2 CYS 20 -10.121 3.547 2.400 164 HB3 CYS 20 HB1 CYS 20 -11.272 2.380 1.754 165 H ASN 21 HN ASN 21 -11.631 2.609 -0.739 166 HA ASN 21 HA ASN 21 -10.958 4.880 -2.362 167 HB2 ASN 21 HB2 ASN 21 -13.041 4.533 -3.494 168 HB3 ASN 21 HB1 ASN 21 -12.314 2.958 -3.216 169 HD21 ASN 21 HD21 ASN 21 -14.933 5.077 -2.466 170 HD22 ASN 21 HD22 ASN 21 -15.897 3.925 -1.614 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -16.712 0.161 1.435 2 H2 ALA 1 HT2 ALA 1 -16.713 1.730 2.069 3 H3 ALA 1 HT3 ALA 1 -15.556 0.613 2.580 4 HA ALA 1 HA ALA 1 -15.796 1.638 -0.178 5 HB1 ALA 1 HB1 ALA 1 -13.809 2.351 1.975 6 HB2 ALA 1 HB2 ALA 1 -15.096 3.395 1.372 7 HB3 ALA 1 HB3 ALA 1 -13.774 2.918 0.305 8 H PHE 2 HN PHE 2 -14.207 0.868 -1.589 9 HA PHE 2 HA PHE 2 -13.161 -1.727 -0.971 10 HB2 PHE 2 HB2 PHE 2 -13.925 -1.266 -3.233 11 HB3 PHE 2 HB1 PHE 2 -12.775 0.054 -3.387 12 HD1 PHE 2 HD1 PHE 2 -10.673 -0.318 -4.247 13 HD2 PHE 2 HD2 PHE 2 -12.982 -3.614 -2.883 14 HE1 PHE 2 HE1 PHE 2 -9.002 -1.858 -5.165 15 HE2 PHE 2 HE2 PHE 2 -11.316 -5.166 -3.799 16 HZ PHE 2 HZ PHE 2 -9.316 -4.295 -4.945 17 H CYS 3 HN CYS 3 -11.264 -2.182 -0.102 18 HA CYS 3 HA CYS 3 -9.186 -0.095 -0.086 19 HB2 CYS 3 HB2 CYS 3 -9.774 -2.033 2.163 20 HB3 CYS 3 HB1 CYS 3 -8.586 -0.735 2.175 21 H TRP 4 HN TRP 4 -7.085 -0.764 -0.423 22 HA TRP 4 HA TRP 4 -6.596 -3.630 -0.699 23 HB2 TRP 4 HB2 TRP 4 -5.599 -3.379 -2.911 24 HB3 TRP 4 HB1 TRP 4 -7.278 -2.858 -2.937 25 HD1 TRP 4 HD1 TRP 4 -3.782 -1.656 -3.634 26 HE1 TRP 4 HE1 TRP 4 -3.869 0.758 -4.519 27 HE3 TRP 4 HE3 TRP 4 -8.682 -0.573 -2.622 28 HZ2 TRP 4 HZ2 TRP 4 -5.734 2.832 -4.746 29 HZ3 TRP 4 HZ3 TRP 4 -9.532 1.660 -3.205 30 HH2 TRP 4 HH2 TRP 4 -8.089 3.325 -4.245 31 H ASN 5 HN ASN 5 -4.285 -4.130 -0.953 32 HA ASN 5 HA ASN 5 -2.685 -2.406 0.740 33 HB2 ASN 5 HB2 ASN 5 -2.052 -5.066 -0.561 34 HB3 ASN 5 HB1 ASN 5 -0.964 -4.204 0.518 35 HD21 ASN 5 HD21 ASN 5 -1.515 -4.028 2.726 36 HD22 ASN 5 HD22 ASN 5 -2.635 -5.125 3.452 37 H VAL 6 HN VAL 6 -1.796 -0.689 -0.193 38 HA VAL 6 HA VAL 6 -0.719 -0.866 -2.903 39 HB VAL 6 HB VAL 6 -0.695 1.480 -0.993 40 HG11 VAL 6 HG11 VAL 6 1.062 1.566 -2.694 41 HG12 VAL 6 HG12 VAL 6 -0.157 2.815 -2.960 42 HG13 VAL 6 HG13 VAL 6 -0.152 1.359 -3.956 43 HG21 VAL 6 HG21 VAL 6 -2.974 0.922 -1.540 44 HG22 VAL 6 HG22 VAL 6 -2.575 0.836 -3.254 45 HG23 VAL 6 HG23 VAL 6 -2.508 2.382 -2.411 46 H CYS 7 HN CYS 7 1.179 -1.901 -2.985 47 HA CYS 7 HA CYS 7 3.134 -1.542 -0.862 48 HB2 CYS 7 HB2 CYS 7 2.891 -3.397 -3.187 49 HB3 CYS 7 HB1 CYS 7 4.473 -3.119 -2.482 50 H VAL 8 HN VAL 8 4.361 0.162 -0.925 51 HA VAL 8 HA VAL 8 5.269 1.205 -3.526 52 HB VAL 8 HB VAL 8 5.234 2.517 -0.807 53 HG11 VAL 8 HG11 VAL 8 7.170 3.315 -1.984 54 HG12 VAL 8 HG12 VAL 8 5.934 4.574 -2.013 55 HG13 VAL 8 HG13 VAL 8 6.218 3.585 -3.446 56 HG21 VAL 8 HG21 VAL 8 3.029 2.363 -1.803 57 HG22 VAL 8 HG22 VAL 8 3.633 3.077 -3.299 58 HG23 VAL 8 HG23 VAL 8 3.587 4.034 -1.819 59 H TYR 9 HN TYR 9 7.384 1.156 -4.025 60 HA TYR 9 HA TYR 9 9.192 -0.050 -2.094 61 HB2 TYR 9 HB2 TYR 9 9.127 0.199 -5.048 62 HB3 TYR 9 HB1 TYR 9 10.712 0.205 -4.285 63 HD1 TYR 9 HD1 TYR 9 7.653 -1.771 -4.830 64 HD2 TYR 9 HD2 TYR 9 11.612 -1.767 -3.278 65 HE1 TYR 9 HE1 TYR 9 7.576 -4.220 -4.638 66 HE2 TYR 9 HE2 TYR 9 11.548 -4.214 -3.084 67 HH TYR 9 HH TYR 9 9.991 -6.002 -2.945 68 H ARG 10 HN ARG 10 9.778 1.460 -0.719 69 HA ARG 10 HA ARG 10 10.804 4.007 -1.769 70 HB2 ARG 10 HB2 ARG 10 8.831 4.050 -0.189 71 HB3 ARG 10 HB1 ARG 10 9.895 3.396 1.046 72 HG2 ARG 10 HG2 ARG 10 11.319 5.374 0.868 73 HG3 ARG 10 HG1 ARG 10 10.240 6.019 -0.376 74 HD2 ARG 10 HD2 ARG 10 9.396 5.342 2.437 75 HD3 ARG 10 HD1 ARG 10 9.823 6.959 1.882 76 HE ARG 10 HE ARG 10 7.894 6.142 0.141 77 HH11 ARG 10 HH11 ARG 10 8.081 6.394 3.624 78 HH12 ARG 10 HH12 ARG 10 6.399 6.774 3.815 79 HH21 ARG 10 HH21 ARG 10 5.673 6.634 0.384 80 HH22 ARG 10 HH22 ARG 10 5.034 6.934 1.968 81 H ASN 11 HN ASN 11 12.943 3.938 -1.931 82 HA ASN 11 HA ASN 11 15.127 3.419 -1.596 83 HB2 ASN 11 HB2 ASN 11 14.230 3.186 1.287 84 HB3 ASN 11 HB1 ASN 11 15.910 3.143 0.769 85 HD21 ASN 11 HD21 ASN 11 14.455 4.999 2.507 86 HD22 ASN 11 HD22 ASN 11 14.707 6.569 1.831 87 H ALA 12 HN ALA 12 13.521 1.431 -2.536 88 HA ALA 12 HA ALA 12 13.549 -0.766 -3.054 89 HB1 ALA 12 HB1 ALA 12 15.987 -0.570 -2.957 90 HB2 ALA 12 HB2 ALA 12 15.427 -2.160 -2.437 91 HB3 ALA 12 HB3 ALA 12 15.944 -0.972 -1.240 92 H VAL 13 HN VAL 13 12.749 0.381 -0.111 93 HA VAL 13 HA VAL 13 12.172 -2.216 1.091 94 HB VAL 13 HB VAL 13 11.489 0.524 2.153 95 HG11 VAL 13 HG11 VAL 13 11.617 -2.146 3.541 96 HG12 VAL 13 HG12 VAL 13 10.144 -1.280 3.099 97 HG13 VAL 13 HG13 VAL 13 11.243 -0.600 4.300 98 HG21 VAL 13 HG21 VAL 13 13.448 0.297 3.604 99 HG22 VAL 13 HG22 VAL 13 13.904 0.308 1.901 100 HG23 VAL 13 HG23 VAL 13 13.869 -1.212 2.795 101 H ARG 14 HN ARG 14 10.277 -3.173 0.888 102 HA ARG 14 HA ARG 14 8.211 -1.905 -0.672 103 HB2 ARG 14 HB2 ARG 14 8.944 -4.216 -1.153 104 HB3 ARG 14 HB1 ARG 14 8.381 -4.710 0.441 105 HG2 ARG 14 HG2 ARG 14 6.108 -4.059 -0.175 106 HG3 ARG 14 HG1 ARG 14 6.701 -3.591 -1.766 107 HD2 ARG 14 HD2 ARG 14 5.676 -5.798 -1.833 108 HD3 ARG 14 HD1 ARG 14 7.398 -5.888 -2.194 109 HE ARG 14 HE ARG 14 7.182 -6.327 0.519 110 HH11 ARG 14 HH11 ARG 14 5.927 -7.840 -2.378 111 HH12 ARG 14 HH12 ARG 14 5.883 -9.429 -1.682 112 HH21 ARG 14 HH21 ARG 14 7.118 -8.424 1.438 113 HH22 ARG 14 HH22 ARG 14 6.560 -9.758 0.481 114 H VAL 15 HN VAL 15 7.098 -0.488 0.576 115 HA VAL 15 HA VAL 15 5.972 -1.503 3.092 116 HB VAL 15 HB VAL 15 5.372 0.871 3.578 117 HG11 VAL 15 HG11 VAL 15 8.297 0.323 3.089 118 HG12 VAL 15 HG12 VAL 15 7.377 -0.131 4.523 119 HG13 VAL 15 HG13 VAL 15 7.650 1.572 4.154 120 HG21 VAL 15 HG21 VAL 15 6.547 2.641 2.299 121 HG22 VAL 15 HG22 VAL 15 5.301 1.807 1.370 122 HG23 VAL 15 HG23 VAL 15 7.004 1.426 1.104 123 H CYS 16 HN CYS 16 4.021 -2.353 2.912 124 HA CYS 16 HA CYS 16 2.256 -1.368 0.803 125 HB2 CYS 16 HB2 CYS 16 2.745 -3.951 1.856 126 HB3 CYS 16 HB1 CYS 16 1.089 -3.524 2.272 127 H HIS 17 HN HIS 17 0.454 -0.292 1.170 128 HA HIS 17 HA HIS 17 -0.255 0.288 3.982 129 HB2 HIS 17 HB2 HIS 17 -0.972 2.132 1.724 130 HB3 HIS 17 HB1 HIS 17 -0.750 2.506 3.423 131 HD1 HIS 17 HD1 HIS 17 0.669 3.445 0.477 132 HD2 HIS 17 HD2 HIS 17 2.337 1.785 3.902 133 HE1 HIS 17 HE1 HIS 17 3.094 4.082 0.424 134 HE2 HIS 17 HE2 HIS 17 4.020 3.269 2.622 135 H ARG 18 HN ARG 18 -2.455 0.196 4.520 136 HA ARG 18 HA ARG 18 -4.221 -0.961 2.511 137 HB2 ARG 18 HB2 ARG 18 -4.289 -1.915 4.763 138 HB3 ARG 18 HB1 ARG 18 -4.667 -0.336 5.440 139 HG2 ARG 18 HG2 ARG 18 -6.691 -1.541 5.365 140 HG3 ARG 18 HG1 ARG 18 -6.764 -0.361 4.057 141 HD2 ARG 18 HD2 ARG 18 -7.593 -2.443 3.222 142 HD3 ARG 18 HD1 ARG 18 -6.012 -2.158 2.495 143 HE ARG 18 HE ARG 18 -5.871 -3.720 4.884 144 HH11 ARG 18 HH11 ARG 18 -6.506 -3.884 1.453 145 HH12 ARG 18 HH12 ARG 18 -6.018 -5.541 1.308 146 HH21 ARG 18 HH21 ARG 18 -5.269 -5.910 4.719 147 HH22 ARG 18 HH22 ARG 18 -5.330 -6.700 3.173 148 H ARG 19 HN ARG 19 -4.820 0.607 1.091 149 HA ARG 19 HA ARG 19 -5.894 3.090 2.254 150 HB2 ARG 19 HB2 ARG 19 -4.845 4.328 0.686 151 HB3 ARG 19 HB1 ARG 19 -3.793 2.933 0.557 152 HG2 ARG 19 HG2 ARG 19 -4.221 3.173 -1.633 153 HG3 ARG 19 HG1 ARG 19 -5.675 2.251 -1.240 154 HD2 ARG 19 HD2 ARG 19 -6.149 4.255 -2.602 155 HD3 ARG 19 HD1 ARG 19 -6.957 4.291 -1.032 156 HE ARG 19 HE ARG 19 -4.506 5.616 -0.780 157 HH11 ARG 19 HH11 ARG 19 -7.566 6.053 -2.431 158 HH12 ARG 19 HH12 ARG 19 -7.476 7.784 -2.401 159 HH21 ARG 19 HH21 ARG 19 -4.384 7.887 -0.749 160 HH22 ARG 19 HH22 ARG 19 -5.657 8.829 -1.460 161 H CYS 20 HN CYS 20 -7.719 4.044 1.169 162 HA CYS 20 HA CYS 20 -9.374 2.070 -0.258 163 HB2 CYS 20 HB2 CYS 20 -10.415 3.922 1.886 164 HB3 CYS 20 HB1 CYS 20 -11.268 2.588 1.118 165 H ASN 21 HN ASN 21 -11.104 3.044 -1.535 166 HA ASN 21 HA ASN 21 -10.446 5.805 -2.303 167 HB2 ASN 21 HB2 ASN 21 -11.143 5.367 -4.507 168 HB3 ASN 21 HB1 ASN 21 -10.249 3.927 -4.045 169 HD21 ASN 21 HD21 ASN 21 -11.356 1.995 -3.731 170 HD22 ASN 21 HD22 ASN 21 -12.971 1.765 -4.301 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -16.992 0.407 1.038 2 H2 ALA 1 HT2 ALA 1 -16.912 1.760 2.047 3 H3 ALA 1 HT3 ALA 1 -15.984 0.391 2.392 4 HA ALA 1 HA ALA 1 -15.675 2.113 0.009 5 HB1 ALA 1 HB1 ALA 1 -13.593 2.853 1.026 6 HB2 ALA 1 HB2 ALA 1 -13.915 1.853 2.444 7 HB3 ALA 1 HB3 ALA 1 -14.962 3.223 2.076 8 H PHE 2 HN PHE 2 -13.894 1.555 -1.316 9 HA PHE 2 HA PHE 2 -13.247 -1.300 -1.243 10 HB2 PHE 2 HB2 PHE 2 -14.133 -0.292 -3.350 11 HB3 PHE 2 HB1 PHE 2 -12.719 0.752 -3.413 12 HD1 PHE 2 HD1 PHE 2 -10.553 -0.133 -3.984 13 HD2 PHE 2 HD2 PHE 2 -13.993 -2.623 -3.895 14 HE1 PHE 2 HE1 PHE 2 -9.333 -1.842 -5.245 15 HE2 PHE 2 HE2 PHE 2 -12.785 -4.346 -5.159 16 HZ PHE 2 HZ PHE 2 -10.447 -3.963 -5.841 17 H CYS 3 HN CYS 3 -11.499 -1.770 -0.088 18 HA CYS 3 HA CYS 3 -9.248 0.129 -0.118 19 HB2 CYS 3 HB2 CYS 3 -10.014 -1.728 2.142 20 HB3 CYS 3 HB1 CYS 3 -8.775 -0.479 2.174 21 H TRP 4 HN TRP 4 -7.209 -0.665 -0.455 22 HA TRP 4 HA TRP 4 -6.814 -3.550 -0.528 23 HB2 TRP 4 HB2 TRP 4 -5.950 -3.595 -2.771 24 HB3 TRP 4 HB1 TRP 4 -7.556 -2.882 -2.816 25 HD1 TRP 4 HD1 TRP 4 -3.897 -2.078 -3.485 26 HE1 TRP 4 HE1 TRP 4 -3.752 0.170 -4.718 27 HE3 TRP 4 HE3 TRP 4 -8.757 -0.554 -3.001 28 HZ2 TRP 4 HZ2 TRP 4 -5.444 2.307 -5.376 29 HZ3 TRP 4 HZ3 TRP 4 -9.407 1.619 -3.960 30 HH2 TRP 4 HH2 TRP 4 -7.782 3.018 -5.123 31 H ASN 5 HN ASN 5 -4.536 -4.128 -0.810 32 HA ASN 5 HA ASN 5 -2.868 -2.344 0.736 33 HB2 ASN 5 HB2 ASN 5 -1.251 -4.220 0.741 34 HB3 ASN 5 HB1 ASN 5 -2.842 -4.708 1.317 35 HD21 ASN 5 HD21 ASN 5 -0.402 -5.165 -1.052 36 HD22 ASN 5 HD22 ASN 5 -1.182 -6.435 -1.928 37 H VAL 6 HN VAL 6 -1.658 -0.865 -0.164 38 HA VAL 6 HA VAL 6 -0.662 -1.273 -2.897 39 HB VAL 6 HB VAL 6 -0.618 1.258 -1.245 40 HG11 VAL 6 HG11 VAL 6 -0.072 2.365 -3.346 41 HG12 VAL 6 HG12 VAL 6 -0.097 0.811 -4.183 42 HG13 VAL 6 HG13 VAL 6 1.130 1.133 -2.959 43 HG21 VAL 6 HG21 VAL 6 -2.432 2.037 -2.708 44 HG22 VAL 6 HG22 VAL 6 -2.906 0.648 -1.730 45 HG23 VAL 6 HG23 VAL 6 -2.512 0.432 -3.436 46 H CYS 7 HN CYS 7 1.223 -2.301 -2.875 47 HA CYS 7 HA CYS 7 3.155 -1.811 -0.755 48 HB2 CYS 7 HB2 CYS 7 2.816 -3.860 -2.867 49 HB3 CYS 7 HB1 CYS 7 4.458 -3.514 -2.352 50 H VAL 8 HN VAL 8 4.463 -0.171 -0.925 51 HA VAL 8 HA VAL 8 5.317 0.689 -3.618 52 HB VAL 8 HB VAL 8 5.299 2.292 -1.061 53 HG11 VAL 8 HG11 VAL 8 5.958 3.103 -3.886 54 HG12 VAL 8 HG12 VAL 8 7.071 3.034 -2.515 55 HG13 VAL 8 HG13 VAL 8 5.766 4.219 -2.533 56 HG21 VAL 8 HG21 VAL 8 3.036 1.863 -1.851 57 HG22 VAL 8 HG22 VAL 8 3.473 2.458 -3.452 58 HG23 VAL 8 HG23 VAL 8 3.464 3.559 -2.075 59 H TYR 9 HN TYR 9 7.417 0.562 -4.110 60 HA TYR 9 HA TYR 9 9.303 -0.268 -2.066 61 HB2 TYR 9 HB2 TYR 9 9.230 -0.280 -5.017 62 HB3 TYR 9 HB1 TYR 9 10.805 0.039 -4.306 63 HD1 TYR 9 HD1 TYR 9 8.197 -2.431 -4.850 64 HD2 TYR 9 HD2 TYR 9 11.903 -1.677 -2.911 65 HE1 TYR 9 HE1 TYR 9 8.487 -4.844 -4.490 66 HE2 TYR 9 HE2 TYR 9 12.210 -4.089 -2.543 67 HH TYR 9 HH TYR 9 10.393 -6.437 -4.121 68 H ARG 10 HN ARG 10 9.736 1.394 -0.792 69 HA ARG 10 HA ARG 10 10.584 3.924 -2.041 70 HB2 ARG 10 HB2 ARG 10 8.476 3.948 -0.641 71 HB3 ARG 10 HB1 ARG 10 9.477 3.544 0.745 72 HG2 ARG 10 HG2 ARG 10 10.665 5.614 0.573 73 HG3 ARG 10 HG1 ARG 10 9.861 5.989 -0.955 74 HD2 ARG 10 HD2 ARG 10 8.483 5.673 1.706 75 HD3 ARG 10 HD1 ARG 10 8.878 7.211 0.942 76 HE ARG 10 HE ARG 10 7.416 5.857 -0.932 77 HH11 ARG 10 HH11 ARG 10 6.886 6.895 2.368 78 HH12 ARG 10 HH12 ARG 10 5.167 7.041 2.181 79 HH21 ARG 10 HH21 ARG 10 5.150 6.050 -1.183 80 HH22 ARG 10 HH22 ARG 10 4.185 6.567 0.161 81 H ASN 11 HN ASN 11 12.687 4.242 -1.910 82 HA ASN 11 HA ASN 11 14.876 4.045 -1.339 83 HB2 ASN 11 HB2 ASN 11 13.765 3.497 1.425 84 HB3 ASN 11 HB1 ASN 11 15.462 3.786 1.064 85 HD21 ASN 11 HD21 ASN 11 13.601 5.255 2.769 86 HD22 ASN 11 HD22 ASN 11 13.598 6.878 2.178 87 H ALA 12 HN ALA 12 13.505 1.889 -2.436 88 HA ALA 12 HA ALA 12 13.718 -0.293 -2.967 89 HB1 ALA 12 HB1 ALA 12 16.108 0.196 -3.021 90 HB2 ALA 12 HB2 ALA 12 15.795 -1.449 -2.468 91 HB3 ALA 12 HB3 ALA 12 16.228 -0.195 -1.308 92 H VAL 13 HN VAL 13 12.491 0.636 -0.317 93 HA VAL 13 HA VAL 13 12.381 -2.037 0.923 94 HB VAL 13 HB VAL 13 11.535 0.564 2.198 95 HG11 VAL 13 HG11 VAL 13 11.966 -2.183 3.360 96 HG12 VAL 13 HG12 VAL 13 10.411 -1.394 3.096 97 HG13 VAL 13 HG13 VAL 13 11.545 -0.736 4.276 98 HG21 VAL 13 HG21 VAL 13 13.944 0.593 1.808 99 HG22 VAL 13 HG22 VAL 13 14.097 -0.974 2.600 100 HG23 VAL 13 HG23 VAL 13 13.585 0.435 3.528 101 H ARG 14 HN ARG 14 10.526 -3.112 0.778 102 HA ARG 14 HA ARG 14 8.331 -1.925 -0.661 103 HB2 ARG 14 HB2 ARG 14 9.197 -4.194 -1.182 104 HB3 ARG 14 HB1 ARG 14 8.671 -4.728 0.410 105 HG2 ARG 14 HG2 ARG 14 6.360 -4.177 -0.186 106 HG3 ARG 14 HG1 ARG 14 6.921 -3.688 -1.784 107 HD2 ARG 14 HD2 ARG 14 5.998 -5.952 -1.812 108 HD3 ARG 14 HD1 ARG 14 7.713 -5.944 -2.220 109 HE ARG 14 HE ARG 14 7.559 -6.376 0.511 110 HH11 ARG 14 HH11 ARG 14 6.444 -7.980 -2.390 111 HH12 ARG 14 HH12 ARG 14 6.561 -9.571 -1.708 112 HH21 ARG 14 HH21 ARG 14 7.709 -8.457 1.419 113 HH22 ARG 14 HH22 ARG 14 7.282 -9.845 0.471 114 H VAL 15 HN VAL 15 7.032 -0.681 0.540 115 HA VAL 15 HA VAL 15 6.041 -1.811 3.074 116 HB VAL 15 HB VAL 15 5.342 0.541 3.628 117 HG11 VAL 15 HG11 VAL 15 7.320 -0.468 4.624 118 HG12 VAL 15 HG12 VAL 15 7.595 1.245 4.312 119 HG13 VAL 15 HG13 VAL 15 8.291 0.031 3.239 120 HG21 VAL 15 HG21 VAL 15 5.358 1.513 1.419 121 HG22 VAL 15 HG22 VAL 15 7.090 1.202 1.262 122 HG23 VAL 15 HG23 VAL 15 6.506 2.369 2.451 123 H CYS 16 HN CYS 16 4.036 -2.562 3.019 124 HA CYS 16 HA CYS 16 2.241 -1.636 0.908 125 HB2 CYS 16 HB2 CYS 16 2.629 -4.150 2.225 126 HB3 CYS 16 HB1 CYS 16 0.968 -3.615 2.466 127 H HIS 17 HN HIS 17 0.565 -0.402 1.250 128 HA HIS 17 HA HIS 17 -0.227 0.168 4.038 129 HB2 HIS 17 HB2 HIS 17 -0.815 2.115 1.850 130 HB3 HIS 17 HB1 HIS 17 -0.513 2.415 3.551 131 HD1 HIS 17 HD1 HIS 17 0.953 2.896 0.364 132 HD2 HIS 17 HD2 HIS 17 2.447 1.960 4.124 133 HE1 HIS 17 HE1 HIS 17 3.388 3.478 0.285 134 HE2 HIS 17 HE2 HIS 17 4.192 3.166 2.651 135 H ARG 18 HN ARG 18 -2.439 0.036 4.477 136 HA ARG 18 HA ARG 18 -4.090 -0.991 2.305 137 HB2 ARG 18 HB2 ARG 18 -4.265 -2.176 4.417 138 HB3 ARG 18 HB1 ARG 18 -4.657 -0.686 5.262 139 HG2 ARG 18 HG2 ARG 18 -6.766 -0.527 4.121 140 HG3 ARG 18 HG1 ARG 18 -6.361 -1.903 3.099 141 HD2 ARG 18 HD2 ARG 18 -6.574 -2.060 6.097 142 HD3 ARG 18 HD1 ARG 18 -7.912 -2.410 5.003 143 HE ARG 18 HE ARG 18 -5.994 -4.018 4.058 144 HH11 ARG 18 HH11 ARG 18 -7.213 -3.490 7.295 145 HH12 ARG 18 HH12 ARG 18 -6.842 -5.095 7.841 146 HH21 ARG 18 HH21 ARG 18 -5.526 -6.147 4.762 147 HH22 ARG 18 HH22 ARG 18 -5.882 -6.608 6.394 148 H ARG 19 HN ARG 19 -4.670 0.619 1.001 149 HA ARG 19 HA ARG 19 -5.637 3.125 2.193 150 HB2 ARG 19 HB2 ARG 19 -5.089 4.216 0.198 151 HB3 ARG 19 HB1 ARG 19 -3.789 3.049 0.379 152 HG2 ARG 19 HG2 ARG 19 -4.239 2.574 -1.758 153 HG3 ARG 19 HG1 ARG 19 -5.563 1.613 -1.096 154 HD2 ARG 19 HD2 ARG 19 -6.557 2.917 -2.764 155 HD3 ARG 19 HD1 ARG 19 -6.951 3.754 -1.261 156 HE ARG 19 HE ARG 19 -4.578 4.836 -2.279 157 HH11 ARG 19 HH11 ARG 19 -7.990 4.708 -3.063 158 HH12 ARG 19 HH12 ARG 19 -7.968 6.177 -3.981 159 HH21 ARG 19 HH21 ARG 19 -4.544 6.773 -3.471 160 HH22 ARG 19 HH22 ARG 19 -6.005 7.364 -4.201 161 H CYS 20 HN CYS 20 -7.503 4.125 1.113 162 HA CYS 20 HA CYS 20 -9.366 2.143 0.004 163 HB2 CYS 20 HB2 CYS 20 -10.032 4.271 2.044 164 HB3 CYS 20 HB1 CYS 20 -11.191 3.178 1.293 165 H ASN 21 HN ASN 21 -11.060 3.077 -1.324 166 HA ASN 21 HA ASN 21 -9.978 5.141 -2.990 167 HB2 ASN 21 HB2 ASN 21 -11.948 4.775 -4.409 168 HB3 ASN 21 HB1 ASN 21 -11.141 3.264 -4.017 169 HD21 ASN 21 HD21 ASN 21 -13.852 3.753 -4.905 170 HD22 ASN 21 HD22 ASN 21 -14.888 3.083 -3.696 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -17.901 1.274 -1.332 2 H2 ALA 1 HT2 ALA 1 -17.344 1.192 -2.926 3 H3 ALA 1 HT3 ALA 1 -17.772 2.684 -2.258 4 HA ALA 1 HA ALA 1 -15.394 2.460 -2.354 5 HB1 ALA 1 HB1 ALA 1 -16.416 2.271 0.477 6 HB2 ALA 1 HB2 ALA 1 -16.429 3.733 -0.510 7 HB3 ALA 1 HB3 ALA 1 -14.894 2.992 -0.050 8 H PHE 2 HN PHE 2 -13.562 1.287 -2.029 9 HA PHE 2 HA PHE 2 -13.706 -1.199 -0.518 10 HB2 PHE 2 HB2 PHE 2 -12.617 -2.484 -2.324 11 HB3 PHE 2 HB1 PHE 2 -14.206 -1.911 -2.807 12 HD1 PHE 2 HD1 PHE 2 -10.593 -1.452 -3.231 13 HD2 PHE 2 HD2 PHE 2 -14.473 -0.407 -4.613 14 HE1 PHE 2 HE1 PHE 2 -9.603 -0.431 -5.231 15 HE2 PHE 2 HE2 PHE 2 -13.495 0.608 -6.617 16 HZ PHE 2 HZ PHE 2 -11.053 0.554 -6.956 17 H CYS 3 HN CYS 3 -11.456 -2.106 -0.224 18 HA CYS 3 HA CYS 3 -9.463 0.049 -0.253 19 HB2 CYS 3 HB2 CYS 3 -9.903 -1.753 2.130 20 HB3 CYS 3 HB1 CYS 3 -8.875 -0.326 2.035 21 H TRP 4 HN TRP 4 -7.320 -0.622 -0.436 22 HA TRP 4 HA TRP 4 -6.838 -3.489 -0.745 23 HB2 TRP 4 HB2 TRP 4 -5.840 -3.236 -2.935 24 HB3 TRP 4 HB1 TRP 4 -7.485 -2.623 -2.979 25 HD1 TRP 4 HD1 TRP 4 -3.904 -1.586 -3.567 26 HE1 TRP 4 HE1 TRP 4 -3.846 0.826 -4.446 27 HE3 TRP 4 HE3 TRP 4 -8.771 -0.278 -2.688 28 HZ2 TRP 4 HZ2 TRP 4 -5.610 3.002 -4.705 29 HZ3 TRP 4 HZ3 TRP 4 -9.500 1.995 -3.274 30 HH2 TRP 4 HH2 TRP 4 -7.952 3.602 -4.263 31 H ASN 5 HN ASN 5 -4.500 -3.954 -1.061 32 HA ASN 5 HA ASN 5 -2.950 -2.248 0.712 33 HB2 ASN 5 HB2 ASN 5 -1.301 -4.108 0.680 34 HB3 ASN 5 HB1 ASN 5 -2.900 -4.612 1.219 35 HD21 ASN 5 HD21 ASN 5 -0.406 -5.050 -1.069 36 HD22 ASN 5 HD22 ASN 5 -1.171 -6.285 -2.005 37 H VAL 6 HN VAL 6 -1.794 -0.696 -0.075 38 HA VAL 6 HA VAL 6 -0.782 -0.819 -2.820 39 HB VAL 6 HB VAL 6 -0.731 1.483 -0.870 40 HG11 VAL 6 HG11 VAL 6 0.993 1.628 -2.588 41 HG12 VAL 6 HG12 VAL 6 -0.248 2.858 -2.834 42 HG13 VAL 6 HG13 VAL 6 -0.231 1.409 -3.838 43 HG21 VAL 6 HG21 VAL 6 -2.655 0.912 -3.109 44 HG22 VAL 6 HG22 VAL 6 -2.581 2.411 -2.187 45 HG23 VAL 6 HG23 VAL 6 -3.017 0.905 -1.384 46 H CYS 7 HN CYS 7 1.145 -1.774 -2.982 47 HA CYS 7 HA CYS 7 3.093 -1.468 -0.823 48 HB2 CYS 7 HB2 CYS 7 2.668 -3.450 -2.993 49 HB3 CYS 7 HB1 CYS 7 4.330 -3.154 -2.500 50 H VAL 8 HN VAL 8 4.748 -0.124 -0.978 51 HA VAL 8 HA VAL 8 5.484 0.867 -3.664 52 HB VAL 8 HB VAL 8 5.599 2.411 -1.071 53 HG11 VAL 8 HG11 VAL 8 6.256 3.241 -3.889 54 HG12 VAL 8 HG12 VAL 8 7.381 3.091 -2.537 55 HG13 VAL 8 HG13 VAL 8 6.138 4.343 -2.517 56 HG21 VAL 8 HG21 VAL 8 3.302 2.133 -1.812 57 HG22 VAL 8 HG22 VAL 8 3.735 2.721 -3.419 58 HG23 VAL 8 HG23 VAL 8 3.822 3.805 -2.030 59 H TYR 9 HN TYR 9 7.575 0.682 -4.191 60 HA TYR 9 HA TYR 9 9.442 -0.331 -2.207 61 HB2 TYR 9 HB2 TYR 9 9.128 -0.961 -4.830 62 HB3 TYR 9 HB1 TYR 9 10.385 0.263 -4.951 63 HD1 TYR 9 HD1 TYR 9 9.615 -2.564 -2.671 64 HD2 TYR 9 HD2 TYR 9 12.505 -0.619 -5.091 65 HE1 TYR 9 HE1 TYR 9 11.273 -4.271 -2.042 66 HE2 TYR 9 HE2 TYR 9 14.174 -2.315 -4.479 67 HH TYR 9 HH TYR 9 14.598 -3.911 -2.680 68 H ARG 10 HN ARG 10 10.032 1.327 -0.917 69 HA ARG 10 HA ARG 10 11.027 3.768 -2.234 70 HB2 ARG 10 HB2 ARG 10 9.003 4.046 -0.763 71 HB3 ARG 10 HB1 ARG 10 9.992 3.532 0.595 72 HG2 ARG 10 HG2 ARG 10 11.550 5.446 -0.026 73 HG3 ARG 10 HG1 ARG 10 10.238 6.015 -1.059 74 HD2 ARG 10 HD2 ARG 10 10.070 5.541 1.913 75 HD3 ARG 10 HD1 ARG 10 10.206 7.112 1.124 76 HE ARG 10 HE ARG 10 7.984 6.127 -0.004 77 HH11 ARG 10 HH11 ARG 10 9.019 6.318 3.334 78 HH12 ARG 10 HH12 ARG 10 7.406 6.438 3.963 79 HH21 ARG 10 HH21 ARG 10 5.850 6.282 0.822 80 HH22 ARG 10 HH22 ARG 10 5.606 6.413 2.533 81 H ASN 11 HN ASN 11 13.148 4.008 -2.134 82 HA ASN 11 HA ASN 11 15.329 3.791 -1.535 83 HB2 ASN 11 HB2 ASN 11 14.231 3.425 1.264 84 HB3 ASN 11 HB1 ASN 11 15.888 3.844 0.848 85 HD21 ASN 11 HD21 ASN 11 13.910 5.263 2.467 86 HD22 ASN 11 HD22 ASN 11 13.759 6.832 1.755 87 H ALA 12 HN ALA 12 13.939 1.549 -2.446 88 HA ALA 12 HA ALA 12 14.219 -0.655 -2.823 89 HB1 ALA 12 HB1 ALA 12 16.295 -1.735 -2.185 90 HB2 ALA 12 HB2 ALA 12 16.664 -0.418 -1.072 91 HB3 ALA 12 HB3 ALA 12 16.612 -0.118 -2.809 92 H VAL 13 HN VAL 13 12.901 0.456 -0.290 93 HA VAL 13 HA VAL 13 12.618 -2.178 1.007 94 HB VAL 13 HB VAL 13 12.032 0.486 2.305 95 HG11 VAL 13 HG11 VAL 13 10.749 -1.375 3.200 96 HG12 VAL 13 HG12 VAL 13 11.943 -0.818 4.373 97 HG13 VAL 13 HG13 VAL 13 12.234 -2.293 3.450 98 HG21 VAL 13 HG21 VAL 13 14.431 0.304 1.890 99 HG22 VAL 13 HG22 VAL 13 14.450 -1.277 2.673 100 HG23 VAL 13 HG23 VAL 13 14.075 0.168 3.613 101 H ARG 14 HN ARG 14 10.627 -3.042 0.916 102 HA ARG 14 HA ARG 14 8.611 -1.568 -0.564 103 HB2 ARG 14 HB2 ARG 14 9.361 -3.914 -1.143 104 HB3 ARG 14 HB1 ARG 14 8.568 -4.446 0.332 105 HG2 ARG 14 HG2 ARG 14 6.453 -3.660 -0.491 106 HG3 ARG 14 HG1 ARG 14 7.216 -3.060 -1.964 107 HD2 ARG 14 HD2 ARG 14 8.010 -5.425 -2.359 108 HD3 ARG 14 HD1 ARG 14 6.942 -5.913 -1.045 109 HE ARG 14 HE ARG 14 5.801 -4.432 -3.291 110 HH11 ARG 14 HH11 ARG 14 6.148 -7.437 -1.534 111 HH12 ARG 14 HH12 ARG 14 4.838 -8.218 -2.359 112 HH21 ARG 14 HH21 ARG 14 4.075 -5.464 -4.382 113 HH22 ARG 14 HH22 ARG 14 3.668 -7.101 -3.983 114 H VAL 15 HN VAL 15 6.663 -0.966 0.253 115 HA VAL 15 HA VAL 15 5.926 -1.876 2.937 116 HB VAL 15 HB VAL 15 7.160 0.270 3.138 117 HG11 VAL 15 HG11 VAL 15 4.845 1.455 1.632 118 HG12 VAL 15 HG12 VAL 15 6.502 1.306 1.042 119 HG13 VAL 15 HG13 VAL 15 6.147 2.353 2.416 120 HG21 VAL 15 HG21 VAL 15 5.558 -0.369 4.837 121 HG22 VAL 15 HG22 VAL 15 4.250 0.359 3.906 122 HG23 VAL 15 HG23 VAL 15 5.515 1.377 4.593 123 H CYS 16 HN CYS 16 3.785 -2.311 3.125 124 HA CYS 16 HA CYS 16 2.058 -1.396 0.926 125 HB2 CYS 16 HB2 CYS 16 2.441 -3.995 2.073 126 HB3 CYS 16 HB1 CYS 16 0.773 -3.492 2.312 127 H HIS 17 HN HIS 17 0.288 -0.253 1.339 128 HA HIS 17 HA HIS 17 -0.532 0.093 4.161 129 HB2 HIS 17 HB2 HIS 17 -1.191 2.175 2.120 130 HB3 HIS 17 HB1 HIS 17 -0.924 2.356 3.846 131 HD1 HIS 17 HD1 HIS 17 0.489 3.428 0.867 132 HD2 HIS 17 HD2 HIS 17 2.104 1.725 4.296 133 HE1 HIS 17 HE1 HIS 17 2.918 4.069 0.860 134 HE2 HIS 17 HE2 HIS 17 3.789 3.261 3.079 135 H ARG 18 HN ARG 18 -2.724 -0.164 4.573 136 HA ARG 18 HA ARG 18 -4.364 -1.043 2.334 137 HB2 ARG 18 HB2 ARG 18 -4.407 -2.289 4.496 138 HB3 ARG 18 HB1 ARG 18 -5.096 -0.861 5.262 139 HG2 ARG 18 HG2 ARG 18 -6.947 -1.031 3.513 140 HG3 ARG 18 HG1 ARG 18 -6.329 -2.655 3.202 141 HD2 ARG 18 HD2 ARG 18 -8.146 -2.764 4.792 142 HD3 ARG 18 HD1 ARG 18 -6.633 -3.194 5.586 143 HE ARG 18 HE ARG 18 -7.768 -0.483 5.798 144 HH11 ARG 18 HH11 ARG 18 -6.530 -3.400 7.304 145 HH12 ARG 18 HH12 ARG 18 -6.511 -2.710 8.895 146 HH21 ARG 18 HH21 ARG 18 -7.722 0.419 7.875 147 HH22 ARG 18 HH22 ARG 18 -7.180 -0.538 9.220 148 H ARG 19 HN ARG 19 -5.009 0.666 1.155 149 HA ARG 19 HA ARG 19 -6.293 2.883 2.613 150 HB2 ARG 19 HB2 ARG 19 -5.455 4.436 1.103 151 HB3 ARG 19 HB1 ARG 19 -4.112 3.318 1.262 152 HG2 ARG 19 HG2 ARG 19 -4.092 3.220 -0.951 153 HG3 ARG 19 HG1 ARG 19 -5.592 2.294 -0.845 154 HD2 ARG 19 HD2 ARG 19 -5.927 4.128 -2.360 155 HD3 ARG 19 HD1 ARG 19 -6.852 4.434 -0.888 156 HE ARG 19 HE ARG 19 -4.218 5.617 -0.912 157 HH11 ARG 19 HH11 ARG 19 -7.609 6.067 -1.653 158 HH12 ARG 19 HH12 ARG 19 -7.491 7.798 -1.731 159 HH21 ARG 19 HH21 ARG 19 -4.064 7.889 -1.002 160 HH22 ARG 19 HH22 ARG 19 -5.470 8.832 -1.367 161 H CYS 20 HN CYS 20 -7.998 3.986 1.307 162 HA CYS 20 HA CYS 20 -9.508 1.989 -0.244 163 HB2 CYS 20 HB2 CYS 20 -10.702 4.100 1.550 164 HB3 CYS 20 HB1 CYS 20 -11.534 2.745 0.792 165 H ASN 21 HN ASN 21 -11.288 3.108 -1.596 166 HA ASN 21 HA ASN 21 -9.907 5.192 -3.091 167 HB2 ASN 21 HB2 ASN 21 -11.568 4.735 -4.873 168 HB3 ASN 21 HB1 ASN 21 -10.669 3.302 -4.397 169 HD21 ASN 21 HD21 ASN 21 -13.227 3.529 -5.736 170 HD22 ASN 21 HD22 ASN 21 -14.371 2.687 -4.753 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -17.459 0.579 2.488 2 H2 ALA 1 HT2 ALA 1 -16.531 -0.799 2.795 3 H3 ALA 1 HT3 ALA 1 -17.303 -0.615 1.303 4 HA ALA 1 HA ALA 1 -15.926 1.255 0.761 5 HB1 ALA 1 HB1 ALA 1 -14.073 1.887 2.216 6 HB2 ALA 1 HB2 ALA 1 -14.608 0.709 3.415 7 HB3 ALA 1 HB3 ALA 1 -15.625 2.097 3.027 8 H PHE 2 HN PHE 2 -14.615 0.572 -0.794 9 HA PHE 2 HA PHE 2 -13.414 -2.062 -0.598 10 HB2 PHE 2 HB2 PHE 2 -14.479 -1.491 -2.698 11 HB3 PHE 2 HB1 PHE 2 -13.489 -0.046 -2.851 12 HD1 PHE 2 HD1 PHE 2 -11.459 -0.111 -3.944 13 HD2 PHE 2 HD2 PHE 2 -13.311 -3.744 -2.738 14 HE1 PHE 2 HE1 PHE 2 -9.786 -1.377 -5.205 15 HE2 PHE 2 HE2 PHE 2 -11.635 -5.018 -4.002 16 HZ PHE 2 HZ PHE 2 -9.864 -3.838 -5.240 17 H CYS 3 HN CYS 3 -11.436 -2.388 0.101 18 HA CYS 3 HA CYS 3 -9.489 -0.195 -0.087 19 HB2 CYS 3 HB2 CYS 3 -9.705 -2.224 2.144 20 HB3 CYS 3 HB1 CYS 3 -8.552 -0.900 2.049 21 H TRP 4 HN TRP 4 -7.326 -0.785 -0.422 22 HA TRP 4 HA TRP 4 -6.763 -3.572 -1.091 23 HB2 TRP 4 HB2 TRP 4 -5.835 -2.978 -3.277 24 HB3 TRP 4 HB1 TRP 4 -7.533 -2.530 -3.198 25 HD1 TRP 4 HD1 TRP 4 -4.048 -1.034 -3.509 26 HE1 TRP 4 HE1 TRP 4 -4.256 1.467 -4.107 27 HE3 TRP 4 HE3 TRP 4 -9.100 -0.448 -2.938 28 HZ2 TRP 4 HZ2 TRP 4 -6.237 3.388 -4.316 29 HZ3 TRP 4 HZ3 TRP 4 -10.072 1.772 -3.366 30 HH2 TRP 4 HH2 TRP 4 -8.671 3.654 -4.045 31 H ASN 5 HN ASN 5 -4.304 -3.652 -1.795 32 HA ASN 5 HA ASN 5 -2.882 -2.143 0.275 33 HB2 ASN 5 HB2 ASN 5 -1.142 -3.875 0.130 34 HB3 ASN 5 HB1 ASN 5 -2.716 -4.567 0.498 35 HD21 ASN 5 HD21 ASN 5 -0.312 -5.771 -0.658 36 HD22 ASN 5 HD22 ASN 5 -0.806 -6.457 -2.168 37 H VAL 6 HN VAL 6 -1.917 -0.369 -0.437 38 HA VAL 6 HA VAL 6 -0.667 -0.367 -3.082 39 HB VAL 6 HB VAL 6 -0.799 1.896 -1.072 40 HG11 VAL 6 HG11 VAL 6 0.029 1.849 -3.974 41 HG12 VAL 6 HG12 VAL 6 1.093 2.081 -2.586 42 HG13 VAL 6 HG13 VAL 6 -0.126 3.296 -2.975 43 HG21 VAL 6 HG21 VAL 6 -2.526 2.856 -2.506 44 HG22 VAL 6 HG22 VAL 6 -3.025 1.272 -1.919 45 HG23 VAL 6 HG23 VAL 6 -2.441 1.452 -3.568 46 H CYS 7 HN CYS 7 1.217 -1.364 -3.106 47 HA CYS 7 HA CYS 7 2.972 -1.159 -0.771 48 HB2 CYS 7 HB2 CYS 7 3.115 -3.040 -3.134 49 HB3 CYS 7 HB1 CYS 7 4.167 -3.076 -1.721 50 H VAL 8 HN VAL 8 4.304 0.497 -0.877 51 HA VAL 8 HA VAL 8 5.325 1.352 -3.487 52 HB VAL 8 HB VAL 8 5.606 2.695 -0.797 53 HG11 VAL 8 HG11 VAL 8 6.276 3.680 -3.565 54 HG12 VAL 8 HG12 VAL 8 7.420 3.308 -2.273 55 HG13 VAL 8 HG13 VAL 8 6.304 4.664 -2.100 56 HG21 VAL 8 HG21 VAL 8 3.284 2.657 -1.523 57 HG22 VAL 8 HG22 VAL 8 3.750 3.322 -3.088 58 HG23 VAL 8 HG23 VAL 8 3.939 4.292 -1.628 59 H TYR 9 HN TYR 9 7.359 1.021 -4.083 60 HA TYR 9 HA TYR 9 9.211 -0.134 -2.142 61 HB2 TYR 9 HB2 TYR 9 8.856 -0.372 -5.050 62 HB3 TYR 9 HB1 TYR 9 10.528 -0.202 -4.537 63 HD1 TYR 9 HD1 TYR 9 7.582 -2.354 -4.520 64 HD2 TYR 9 HD2 TYR 9 11.573 -1.895 -3.121 65 HE1 TYR 9 HE1 TYR 9 7.640 -4.738 -3.916 66 HE2 TYR 9 HE2 TYR 9 11.649 -4.273 -2.515 67 HH TYR 9 HH TYR 9 9.295 -6.510 -3.549 68 H ARG 10 HN ARG 10 10.010 1.525 -1.035 69 HA ARG 10 HA ARG 10 11.461 3.567 -2.566 70 HB2 ARG 10 HB2 ARG 10 10.945 5.174 -0.806 71 HB3 ARG 10 HB1 ARG 10 9.468 4.541 -1.506 72 HG2 ARG 10 HG2 ARG 10 9.256 3.010 0.401 73 HG3 ARG 10 HG1 ARG 10 10.697 3.730 1.114 74 HD2 ARG 10 HD2 ARG 10 8.179 5.235 0.424 75 HD3 ARG 10 HD1 ARG 10 8.592 4.647 2.035 76 HE ARG 10 HE ARG 10 10.706 6.226 1.045 77 HH11 ARG 10 HH11 ARG 10 7.416 6.534 2.182 78 HH12 ARG 10 HH12 ARG 10 7.639 8.143 2.795 79 HH21 ARG 10 HH21 ARG 10 11.022 8.333 1.858 80 HH22 ARG 10 HH22 ARG 10 9.707 9.165 2.622 81 H ASN 11 HN ASN 11 13.518 3.926 -1.924 82 HA ASN 11 HA ASN 11 15.570 3.369 -1.100 83 HB2 ASN 11 HB2 ASN 11 14.067 2.781 1.467 84 HB3 ASN 11 HB1 ASN 11 15.792 3.089 1.318 85 HD21 ASN 11 HD21 ASN 11 13.741 4.460 2.876 86 HD22 ASN 11 HD22 ASN 11 13.801 6.116 2.387 87 H ALA 12 HN ALA 12 13.904 1.376 -2.368 88 HA ALA 12 HA ALA 12 13.799 -0.824 -2.865 89 HB1 ALA 12 HB1 ALA 12 15.638 -2.283 -2.284 90 HB2 ALA 12 HB2 ALA 12 16.212 -1.123 -1.086 91 HB3 ALA 12 HB3 ALA 12 16.250 -0.711 -2.801 92 H VAL 13 HN VAL 13 12.772 0.365 -0.161 93 HA VAL 13 HA VAL 13 12.259 -2.180 1.211 94 HB VAL 13 HB VAL 13 11.589 0.612 2.151 95 HG11 VAL 13 HG11 VAL 13 11.651 -2.014 3.632 96 HG12 VAL 13 HG12 VAL 13 10.205 -1.127 3.151 97 HG13 VAL 13 HG13 VAL 13 11.307 -0.436 4.343 98 HG21 VAL 13 HG21 VAL 13 14.006 0.353 1.949 99 HG22 VAL 13 HG22 VAL 13 13.934 -1.125 2.907 100 HG23 VAL 13 HG23 VAL 13 13.519 0.421 3.645 101 H ARG 14 HN ARG 14 10.285 -3.084 1.191 102 HA ARG 14 HA ARG 14 8.208 -1.844 -0.399 103 HB2 ARG 14 HB2 ARG 14 8.768 -4.157 -0.870 104 HB3 ARG 14 HB1 ARG 14 8.484 -4.601 0.810 105 HG2 ARG 14 HG2 ARG 14 6.134 -4.021 0.563 106 HG3 ARG 14 HG1 ARG 14 6.443 -3.568 -1.109 107 HD2 ARG 14 HD2 ARG 14 6.976 -5.812 -1.706 108 HD3 ARG 14 HD1 ARG 14 6.978 -6.318 -0.016 109 HE ARG 14 HE ARG 14 4.475 -5.436 -0.299 110 HH11 ARG 14 HH11 ARG 14 6.386 -7.577 -2.311 111 HH12 ARG 14 HH12 ARG 14 5.010 -8.466 -2.882 112 HH21 ARG 14 HH21 ARG 14 2.675 -6.624 -1.026 113 HH22 ARG 14 HH22 ARG 14 2.903 -7.936 -2.141 114 H VAL 15 HN VAL 15 6.826 -0.544 0.629 115 HA VAL 15 HA VAL 15 5.825 -1.449 3.245 116 HB VAL 15 HB VAL 15 5.170 0.929 3.677 117 HG11 VAL 15 HG11 VAL 15 7.419 1.644 4.323 118 HG12 VAL 15 HG12 VAL 15 8.112 0.402 3.281 119 HG13 VAL 15 HG13 VAL 15 7.155 -0.063 4.687 120 HG21 VAL 15 HG21 VAL 15 6.391 2.680 2.402 121 HG22 VAL 15 HG22 VAL 15 5.156 1.839 1.466 122 HG23 VAL 15 HG23 VAL 15 6.860 1.440 1.236 123 H CYS 16 HN CYS 16 3.957 -2.432 2.960 124 HA CYS 16 HA CYS 16 2.137 -1.539 0.871 125 HB2 CYS 16 HB2 CYS 16 2.013 -3.925 2.721 126 HB3 CYS 16 HB1 CYS 16 0.836 -3.565 1.460 127 H HIS 17 HN HIS 17 0.614 -0.143 1.249 128 HA HIS 17 HA HIS 17 -0.217 0.366 4.026 129 HB2 HIS 17 HB2 HIS 17 -0.897 2.124 1.681 130 HB3 HIS 17 HB1 HIS 17 -0.787 2.558 3.379 131 HD1 HIS 17 HD1 HIS 17 0.835 3.322 0.453 132 HD2 HIS 17 HD2 HIS 17 2.243 1.991 4.128 133 HE1 HIS 17 HE1 HIS 17 3.241 4.011 0.542 134 HE2 HIS 17 HE2 HIS 17 3.993 3.412 2.872 135 H ARG 18 HN ARG 18 -2.454 0.435 4.551 136 HA ARG 18 HA ARG 18 -4.155 -1.025 2.698 137 HB2 ARG 18 HB2 ARG 18 -4.084 -1.576 5.159 138 HB3 ARG 18 HB1 ARG 18 -4.832 -0.016 5.468 139 HG2 ARG 18 HG2 ARG 18 -6.528 -1.693 5.510 140 HG3 ARG 18 HG1 ARG 18 -6.747 -0.715 4.056 141 HD2 ARG 18 HD2 ARG 18 -5.607 -2.433 2.734 142 HD3 ARG 18 HD1 ARG 18 -5.395 -3.409 4.185 143 HE ARG 18 HE ARG 18 -8.110 -2.934 3.967 144 HH11 ARG 18 HH11 ARG 18 -5.615 -4.496 2.085 145 HH12 ARG 18 HH12 ARG 18 -6.698 -5.628 1.338 146 HH21 ARG 18 HH21 ARG 18 -9.554 -4.436 2.998 147 HH22 ARG 18 HH22 ARG 18 -8.945 -5.585 1.846 148 H ARG 19 HN ARG 19 -4.838 0.249 1.134 149 HA ARG 19 HA ARG 19 -5.627 3.009 1.764 150 HB2 ARG 19 HB2 ARG 19 -3.913 3.206 0.250 151 HB3 ARG 19 HB1 ARG 19 -4.281 1.680 -0.527 152 HG2 ARG 19 HG2 ARG 19 -4.683 3.404 -2.089 153 HG3 ARG 19 HG1 ARG 19 -6.247 2.774 -1.588 154 HD2 ARG 19 HD2 ARG 19 -6.339 5.156 -1.736 155 HD3 ARG 19 HD1 ARG 19 -6.481 4.674 -0.048 156 HE ARG 19 HE ARG 19 -3.809 5.185 -0.449 157 HH11 ARG 19 HH11 ARG 19 -6.803 6.976 -0.696 158 HH12 ARG 19 HH12 ARG 19 -6.059 8.513 -0.395 159 HH21 ARG 19 HH21 ARG 19 -2.821 7.220 -0.049 160 HH22 ARG 19 HH22 ARG 19 -3.802 8.650 -0.018 161 H CYS 20 HN CYS 20 -7.639 3.681 1.375 162 HA CYS 20 HA CYS 20 -9.478 1.818 0.019 163 HB2 CYS 20 HB2 CYS 20 -10.183 3.716 2.266 164 HB3 CYS 20 HB1 CYS 20 -11.219 2.486 1.554 165 H ASN 21 HN ASN 21 -11.633 3.200 -0.492 166 HA ASN 21 HA ASN 21 -10.860 5.843 -1.461 167 HB2 ASN 21 HB2 ASN 21 -11.605 5.498 -3.677 168 HB3 ASN 21 HB1 ASN 21 -10.606 4.101 -3.306 169 HD21 ASN 21 HD21 ASN 21 -11.662 2.094 -2.866 170 HD22 ASN 21 HD22 ASN 21 -13.239 1.786 -3.505 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -17.700 0.496 -0.378 2 H2 ALA 1 HT2 ALA 1 -17.469 0.733 -2.033 3 H3 ALA 1 HT3 ALA 1 -17.914 2.032 -1.052 4 HA ALA 1 HA ALA 1 -15.584 2.135 -1.632 5 HB1 ALA 1 HB1 ALA 1 -14.686 2.392 0.616 6 HB2 ALA 1 HB2 ALA 1 -16.056 1.495 1.277 7 HB3 ALA 1 HB3 ALA 1 -16.315 3.061 0.507 8 H PHE 2 HN PHE 2 -13.563 1.218 -1.677 9 HA PHE 2 HA PHE 2 -13.326 -1.593 -0.866 10 HB2 PHE 2 HB2 PHE 2 -13.778 -1.729 -3.212 11 HB3 PHE 2 HB1 PHE 2 -12.669 -0.413 -3.572 12 HD1 PHE 2 HD1 PHE 2 -10.571 -0.890 -4.311 13 HD2 PHE 2 HD2 PHE 2 -12.701 -3.832 -2.107 14 HE1 PHE 2 HE1 PHE 2 -8.768 -2.494 -4.727 15 HE2 PHE 2 HE2 PHE 2 -10.903 -5.451 -2.521 16 HZ PHE 2 HZ PHE 2 -8.926 -4.788 -3.836 17 H CYS 3 HN CYS 3 -11.438 -2.049 0.122 18 HA CYS 3 HA CYS 3 -9.321 -0.003 0.023 19 HB2 CYS 3 HB2 CYS 3 -9.890 -1.902 2.308 20 HB3 CYS 3 HB1 CYS 3 -8.735 -0.570 2.304 21 H TRP 4 HN TRP 4 -7.205 -0.699 -0.237 22 HA TRP 4 HA TRP 4 -6.726 -3.563 -0.483 23 HB2 TRP 4 HB2 TRP 4 -5.813 -3.414 -2.715 24 HB3 TRP 4 HB1 TRP 4 -7.462 -2.807 -2.732 25 HD1 TRP 4 HD1 TRP 4 -3.865 -1.738 -3.326 26 HE1 TRP 4 HE1 TRP 4 -3.850 0.604 -4.387 27 HE3 TRP 4 HE3 TRP 4 -8.811 -0.543 -2.760 28 HZ2 TRP 4 HZ2 TRP 4 -5.670 2.677 -4.904 29 HZ3 TRP 4 HZ3 TRP 4 -9.588 1.645 -3.567 30 HH2 TRP 4 HH2 TRP 4 -8.052 3.224 -4.617 31 H ASN 5 HN ASN 5 -4.360 -3.980 -0.960 32 HA ASN 5 HA ASN 5 -2.794 -2.186 0.718 33 HB2 ASN 5 HB2 ASN 5 -1.107 -3.985 0.756 34 HB3 ASN 5 HB1 ASN 5 -2.680 -4.546 1.305 35 HD21 ASN 5 HD21 ASN 5 -3.827 -6.013 0.037 36 HD22 ASN 5 HD22 ASN 5 -3.074 -6.903 -1.240 37 H VAL 6 HN VAL 6 -1.626 -0.664 -0.158 38 HA VAL 6 HA VAL 6 -0.684 -0.952 -2.927 39 HB VAL 6 HB VAL 6 -0.507 1.513 -1.190 40 HG11 VAL 6 HG11 VAL 6 -0.338 1.153 -4.179 41 HG12 VAL 6 HG12 VAL 6 1.022 1.434 -3.093 42 HG13 VAL 6 HG13 VAL 6 -0.207 2.680 -3.308 43 HG21 VAL 6 HG21 VAL 6 -2.844 0.965 -1.401 44 HG22 VAL 6 HG22 VAL 6 -2.669 0.748 -3.142 45 HG23 VAL 6 HG23 VAL 6 -2.473 2.348 -2.430 46 H CYS 7 HN CYS 7 1.228 -1.963 -2.999 47 HA CYS 7 HA CYS 7 3.190 -1.506 -0.895 48 HB2 CYS 7 HB2 CYS 7 2.799 -3.555 -2.977 49 HB3 CYS 7 HB1 CYS 7 4.468 -3.164 -2.595 50 H VAL 8 HN VAL 8 4.458 0.139 -1.051 51 HA VAL 8 HA VAL 8 5.331 1.054 -3.715 52 HB VAL 8 HB VAL 8 5.456 2.534 -1.085 53 HG11 VAL 8 HG11 VAL 8 7.223 3.242 -2.570 54 HG12 VAL 8 HG12 VAL 8 5.993 4.501 -2.468 55 HG13 VAL 8 HG13 VAL 8 6.068 3.454 -3.886 56 HG21 VAL 8 HG21 VAL 8 3.152 2.264 -1.818 57 HG22 VAL 8 HG22 VAL 8 3.573 2.893 -3.412 58 HG23 VAL 8 HG23 VAL 8 3.663 3.943 -1.997 59 H TYR 9 HN TYR 9 7.404 0.827 -4.256 60 HA TYR 9 HA TYR 9 9.260 -0.263 -2.303 61 HB2 TYR 9 HB2 TYR 9 8.928 -0.716 -4.993 62 HB3 TYR 9 HB1 TYR 9 10.287 0.399 -4.982 63 HD1 TYR 9 HD1 TYR 9 9.131 -2.711 -3.263 64 HD2 TYR 9 HD2 TYR 9 12.394 -0.465 -4.793 65 HE1 TYR 9 HE1 TYR 9 10.650 -4.569 -2.723 66 HE2 TYR 9 HE2 TYR 9 13.928 -2.314 -4.261 67 HH TYR 9 HH TYR 9 14.012 -4.242 -2.707 68 H ARG 10 HN ARG 10 9.857 1.333 -0.955 69 HA ARG 10 HA ARG 10 10.966 3.778 -2.170 70 HB2 ARG 10 HB2 ARG 10 8.768 4.082 -0.959 71 HB3 ARG 10 HB1 ARG 10 9.595 3.609 0.517 72 HG2 ARG 10 HG2 ARG 10 11.067 5.518 0.350 73 HG3 ARG 10 HG1 ARG 10 10.348 5.954 -1.202 74 HD2 ARG 10 HD2 ARG 10 8.820 5.805 1.386 75 HD3 ARG 10 HD1 ARG 10 9.502 7.289 0.724 76 HE ARG 10 HE ARG 10 8.042 6.630 -1.312 77 HH11 ARG 10 HH11 ARG 10 7.203 6.197 2.053 78 HH12 ARG 10 HH12 ARG 10 5.497 6.340 1.779 79 HH21 ARG 10 HH21 ARG 10 5.803 6.825 -1.683 80 HH22 ARG 10 HH22 ARG 10 4.695 6.698 -0.351 81 H ASN 11 HN ASN 11 13.033 4.121 -1.726 82 HA ASN 11 HA ASN 11 15.141 3.787 -0.951 83 HB2 ASN 11 HB2 ASN 11 13.692 3.232 1.650 84 HB3 ASN 11 HB1 ASN 11 15.437 3.415 1.502 85 HD21 ASN 11 HD21 ASN 11 13.530 4.984 3.037 86 HD22 ASN 11 HD22 ASN 11 13.691 6.612 2.480 87 H ALA 12 HN ALA 12 13.775 1.683 -2.225 88 HA ALA 12 HA ALA 12 13.967 -0.497 -2.778 89 HB1 ALA 12 HB1 ALA 12 15.975 -1.713 -2.142 90 HB2 ALA 12 HB2 ALA 12 16.344 -0.501 -0.914 91 HB3 ALA 12 HB3 ALA 12 16.379 -0.065 -2.622 92 H VAL 13 HN VAL 13 12.581 0.442 -0.226 93 HA VAL 13 HA VAL 13 12.295 -2.221 0.998 94 HB VAL 13 HB VAL 13 11.504 0.445 2.177 95 HG11 VAL 13 HG11 VAL 13 10.128 -1.409 2.964 96 HG12 VAL 13 HG12 VAL 13 11.168 -0.797 4.250 97 HG13 VAL 13 HG13 VAL 13 11.581 -2.298 3.419 98 HG21 VAL 13 HG21 VAL 13 13.389 0.132 3.713 99 HG22 VAL 13 HG22 VAL 13 13.921 0.266 2.037 100 HG23 VAL 13 HG23 VAL 13 13.862 -1.314 2.821 101 H ARG 14 HN ARG 14 10.353 -3.200 0.882 102 HA ARG 14 HA ARG 14 8.302 -1.906 -0.723 103 HB2 ARG 14 HB2 ARG 14 9.056 -4.142 -1.375 104 HB3 ARG 14 HB1 ARG 14 8.583 -4.764 0.201 105 HG2 ARG 14 HG2 ARG 14 6.272 -4.221 -0.265 106 HG3 ARG 14 HG1 ARG 14 6.727 -3.577 -1.844 107 HD2 ARG 14 HD2 ARG 14 7.180 -6.409 -0.931 108 HD3 ARG 14 HD1 ARG 14 5.841 -5.882 -1.949 109 HE ARG 14 HE ARG 14 7.739 -5.097 -3.492 110 HH11 ARG 14 HH11 ARG 14 7.875 -7.942 -1.456 111 HH12 ARG 14 HH12 ARG 14 8.951 -8.795 -2.514 112 HH21 ARG 14 HH21 ARG 14 9.149 -6.220 -4.885 113 HH22 ARG 14 HH22 ARG 14 9.676 -7.819 -4.460 114 H VAL 15 HN VAL 15 6.888 -0.739 0.395 115 HA VAL 15 HA VAL 15 5.846 -1.897 2.894 116 HB VAL 15 HB VAL 15 5.225 0.428 3.562 117 HG11 VAL 15 HG11 VAL 15 7.191 -0.632 4.499 118 HG12 VAL 15 HG12 VAL 15 7.505 1.083 4.233 119 HG13 VAL 15 HG13 VAL 15 8.156 -0.117 3.118 120 HG21 VAL 15 HG21 VAL 15 6.443 2.292 2.468 121 HG22 VAL 15 HG22 VAL 15 5.212 1.551 1.449 122 HG23 VAL 15 HG23 VAL 15 6.919 1.178 1.185 123 H CYS 16 HN CYS 16 3.852 -2.610 2.748 124 HA CYS 16 HA CYS 16 2.081 -1.557 0.682 125 HB2 CYS 16 HB2 CYS 16 2.303 -4.091 2.113 126 HB3 CYS 16 HB1 CYS 16 0.652 -3.485 2.040 127 H HIS 17 HN HIS 17 0.543 -0.159 1.093 128 HA HIS 17 HA HIS 17 -0.149 0.381 3.906 129 HB2 HIS 17 HB2 HIS 17 -0.758 2.251 1.632 130 HB3 HIS 17 HB1 HIS 17 -0.600 2.618 3.341 131 HD1 HIS 17 HD1 HIS 17 1.086 3.111 0.302 132 HD2 HIS 17 HD2 HIS 17 2.330 2.137 4.140 133 HE1 HIS 17 HE1 HIS 17 3.517 3.700 0.389 134 HE2 HIS 17 HE2 HIS 17 4.170 3.358 2.800 135 H ARG 18 HN ARG 18 -2.314 0.439 4.494 136 HA ARG 18 HA ARG 18 -4.135 -0.840 2.612 137 HB2 ARG 18 HB2 ARG 18 -3.932 -1.697 4.938 138 HB3 ARG 18 HB1 ARG 18 -4.519 -0.152 5.532 139 HG2 ARG 18 HG2 ARG 18 -6.336 -1.655 5.579 140 HG3 ARG 18 HG1 ARG 18 -6.614 -0.548 4.235 141 HD2 ARG 18 HD2 ARG 18 -5.843 -2.214 2.658 142 HD3 ARG 18 HD1 ARG 18 -5.434 -3.310 3.978 143 HE ARG 18 HE ARG 18 -8.119 -2.671 4.255 144 HH11 ARG 18 HH11 ARG 18 -6.069 -4.363 1.980 145 HH12 ARG 18 HH12 ARG 18 -7.346 -5.372 1.384 146 HH21 ARG 18 HH21 ARG 18 -9.787 -4.030 3.510 147 HH22 ARG 18 HH22 ARG 18 -9.463 -5.196 2.267 148 H ARG 19 HN ARG 19 -4.883 0.674 1.216 149 HA ARG 19 HA ARG 19 -6.026 3.119 2.397 150 HB2 ARG 19 HB2 ARG 19 -5.274 4.396 0.622 151 HB3 ARG 19 HB1 ARG 19 -3.961 3.240 0.780 152 HG2 ARG 19 HG2 ARG 19 -4.214 2.943 -1.411 153 HG3 ARG 19 HG1 ARG 19 -5.631 1.980 -0.985 154 HD2 ARG 19 HD2 ARG 19 -6.353 3.528 -2.621 155 HD3 ARG 19 HD1 ARG 19 -6.959 4.127 -1.075 156 HE ARG 19 HE ARG 19 -4.424 5.262 -1.746 157 HH11 ARG 19 HH11 ARG 19 -7.874 5.528 -2.295 158 HH12 ARG 19 HH12 ARG 19 -7.783 7.172 -2.843 159 HH21 ARG 19 HH21 ARG 19 -4.307 7.417 -2.450 160 HH22 ARG 19 HH22 ARG 19 -5.754 8.254 -2.924 161 H CYS 20 HN CYS 20 -7.851 4.020 1.155 162 HA CYS 20 HA CYS 20 -9.440 1.919 -0.157 163 HB2 CYS 20 HB2 CYS 20 -10.564 3.985 1.733 164 HB3 CYS 20 HB1 CYS 20 -11.403 2.601 1.045 165 H ASN 21 HN ASN 21 -11.334 2.931 -1.407 166 HA ASN 21 HA ASN 21 -10.168 5.012 -3.042 167 HB2 ASN 21 HB2 ASN 21 -12.086 4.623 -4.557 168 HB3 ASN 21 HB1 ASN 21 -11.197 3.150 -4.196 169 HD21 ASN 21 HD21 ASN 21 -13.930 3.540 -5.142 170 HD22 ASN 21 HD22 ASN 21 -14.949 2.736 -3.996 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -17.114 0.093 0.938 2 H2 ALA 1 HT2 ALA 1 -17.255 1.512 1.843 3 H3 ALA 1 HT3 ALA 1 -16.243 0.268 2.374 4 HA ALA 1 HA ALA 1 -15.866 1.849 -0.097 5 HB1 ALA 1 HB1 ALA 1 -15.458 3.172 1.914 6 HB2 ALA 1 HB2 ALA 1 -13.955 2.838 1.056 7 HB3 ALA 1 HB3 ALA 1 -14.357 1.929 2.511 8 H PHE 2 HN PHE 2 -14.473 0.988 -1.518 9 HA PHE 2 HA PHE 2 -13.492 -1.658 -1.078 10 HB2 PHE 2 HB2 PHE 2 -14.225 -0.883 -3.306 11 HB3 PHE 2 HB1 PHE 2 -12.896 0.271 -3.337 12 HD1 PHE 2 HD1 PHE 2 -10.668 -0.424 -3.805 13 HD2 PHE 2 HD2 PHE 2 -13.807 -3.265 -3.500 14 HE1 PHE 2 HE1 PHE 2 -9.214 -2.127 -4.812 15 HE2 PHE 2 HE2 PHE 2 -12.372 -4.976 -4.510 16 HZ PHE 2 HZ PHE 2 -10.050 -4.401 -5.177 17 H CYS 3 HN CYS 3 -11.549 -2.284 -0.357 18 HA CYS 3 HA CYS 3 -9.474 -0.219 -0.038 19 HB2 CYS 3 HB2 CYS 3 -10.073 -2.469 1.892 20 HB3 CYS 3 HB1 CYS 3 -8.852 -1.216 2.099 21 H TRP 4 HN TRP 4 -7.397 -0.805 -0.526 22 HA TRP 4 HA TRP 4 -6.842 -3.615 -1.090 23 HB2 TRP 4 HB2 TRP 4 -5.919 -3.193 -3.272 24 HB3 TRP 4 HB1 TRP 4 -7.567 -2.584 -3.240 25 HD1 TRP 4 HD1 TRP 4 -3.953 -1.449 -3.634 26 HE1 TRP 4 HE1 TRP 4 -3.932 0.990 -4.442 27 HE3 TRP 4 HE3 TRP 4 -8.914 -0.343 -3.054 28 HZ2 TRP 4 HZ2 TRP 4 -5.745 3.097 -4.777 29 HZ3 TRP 4 HZ3 TRP 4 -9.689 1.918 -3.642 30 HH2 TRP 4 HH2 TRP 4 -8.135 3.603 -4.486 31 H ASN 5 HN ASN 5 -4.414 -3.791 -1.742 32 HA ASN 5 HA ASN 5 -2.962 -2.301 0.311 33 HB2 ASN 5 HB2 ASN 5 -1.237 -4.046 0.115 34 HB3 ASN 5 HB1 ASN 5 -2.813 -4.726 0.494 35 HD21 ASN 5 HD21 ASN 5 -3.897 -5.944 -1.080 36 HD22 ASN 5 HD22 ASN 5 -3.068 -6.592 -2.451 37 H VAL 6 HN VAL 6 -1.622 -0.745 -0.205 38 HA VAL 6 HA VAL 6 -0.616 -0.610 -2.969 39 HB VAL 6 HB VAL 6 -0.792 1.621 -0.941 40 HG11 VAL 6 HG11 VAL 6 -0.031 1.642 -3.857 41 HG12 VAL 6 HG12 VAL 6 1.059 1.895 -2.496 42 HG13 VAL 6 HG13 VAL 6 -0.212 3.070 -2.839 43 HG21 VAL 6 HG21 VAL 6 -2.569 2.529 -2.360 44 HG22 VAL 6 HG22 VAL 6 -3.004 0.956 -1.693 45 HG23 VAL 6 HG23 VAL 6 -2.486 1.087 -3.374 46 H CYS 7 HN CYS 7 1.268 -1.631 -2.983 47 HA CYS 7 HA CYS 7 3.116 -1.369 -0.740 48 HB2 CYS 7 HB2 CYS 7 3.023 -3.172 -3.145 49 HB3 CYS 7 HB1 CYS 7 4.451 -3.064 -2.132 50 H VAL 8 HN VAL 8 4.500 0.272 -0.792 51 HA VAL 8 HA VAL 8 5.413 1.250 -3.416 52 HB VAL 8 HB VAL 8 5.592 2.589 -0.719 53 HG11 VAL 8 HG11 VAL 8 7.429 3.247 -2.171 54 HG12 VAL 8 HG12 VAL 8 6.294 4.579 -1.958 55 HG13 VAL 8 HG13 VAL 8 6.284 3.647 -3.453 56 HG21 VAL 8 HG21 VAL 8 3.776 3.131 -3.062 57 HG22 VAL 8 HG22 VAL 8 3.905 4.146 -1.624 58 HG23 VAL 8 HG23 VAL 8 3.300 2.494 -1.488 59 H TYR 9 HN TYR 9 7.465 1.011 -4.003 60 HA TYR 9 HA TYR 9 9.354 -0.130 -2.096 61 HB2 TYR 9 HB2 TYR 9 9.080 -0.136 -5.035 62 HB3 TYR 9 HB1 TYR 9 10.721 -0.024 -4.427 63 HD1 TYR 9 HD1 TYR 9 7.773 -2.124 -4.751 64 HD2 TYR 9 HD2 TYR 9 11.697 -1.873 -3.131 65 HE1 TYR 9 HE1 TYR 9 7.768 -4.553 -4.387 66 HE2 TYR 9 HE2 TYR 9 11.704 -4.305 -2.763 67 HH TYR 9 HH TYR 9 9.262 -6.369 -4.076 68 H ARG 10 HN ARG 10 10.101 1.482 -0.882 69 HA ARG 10 HA ARG 10 11.154 3.854 -2.274 70 HB2 ARG 10 HB2 ARG 10 9.150 4.149 -0.730 71 HB3 ARG 10 HB1 ARG 10 10.232 3.754 0.596 72 HG2 ARG 10 HG2 ARG 10 11.538 5.692 0.228 73 HG3 ARG 10 HG1 ARG 10 10.747 6.003 -1.318 74 HD2 ARG 10 HD2 ARG 10 9.321 6.017 1.332 75 HD3 ARG 10 HD1 ARG 10 9.966 7.462 0.556 76 HE ARG 10 HE ARG 10 8.447 6.700 -1.382 77 HH11 ARG 10 HH11 ARG 10 7.694 6.368 2.030 78 HH12 ARG 10 HH12 ARG 10 5.978 6.416 1.783 79 HH21 ARG 10 HH21 ARG 10 6.191 6.784 -1.706 80 HH22 ARG 10 HH22 ARG 10 5.125 6.666 -0.343 81 H ASN 11 HN ASN 11 13.260 3.561 -2.463 82 HA ASN 11 HA ASN 11 15.426 3.075 -2.051 83 HB2 ASN 11 HB2 ASN 11 14.604 3.506 0.827 84 HB3 ASN 11 HB1 ASN 11 16.268 3.264 0.307 85 HD21 ASN 11 HD21 ASN 11 13.606 5.435 0.451 86 HD22 ASN 11 HD22 ASN 11 14.436 6.835 -0.127 87 H ALA 12 HN ALA 12 13.912 0.983 -2.626 88 HA ALA 12 HA ALA 12 13.846 -1.274 -2.666 89 HB1 ALA 12 HB1 ALA 12 16.347 -1.111 -0.990 90 HB2 ALA 12 HB2 ALA 12 16.286 -1.054 -2.752 91 HB3 ALA 12 HB3 ALA 12 15.782 -2.514 -1.899 92 H VAL 13 HN VAL 13 12.523 0.205 -0.493 93 HA VAL 13 HA VAL 13 12.173 -2.090 1.320 94 HB VAL 13 HB VAL 13 11.497 0.765 1.998 95 HG11 VAL 13 HG11 VAL 13 11.361 -0.078 4.290 96 HG12 VAL 13 HG12 VAL 13 11.725 -1.702 3.706 97 HG13 VAL 13 HG13 VAL 13 10.230 -0.905 3.219 98 HG21 VAL 13 HG21 VAL 13 13.907 0.617 1.725 99 HG22 VAL 13 HG22 VAL 13 13.956 -0.788 2.790 100 HG23 VAL 13 HG23 VAL 13 13.492 0.788 3.431 101 H ARG 14 HN ARG 14 10.287 -3.060 1.057 102 HA ARG 14 HA ARG 14 8.193 -1.825 -0.490 103 HB2 ARG 14 HB2 ARG 14 8.868 -4.218 -0.786 104 HB3 ARG 14 HB1 ARG 14 8.218 -4.541 0.818 105 HG2 ARG 14 HG2 ARG 14 6.033 -3.617 0.001 106 HG3 ARG 14 HG1 ARG 14 6.745 -3.619 -1.612 107 HD2 ARG 14 HD2 ARG 14 6.489 -6.043 0.153 108 HD3 ARG 14 HD1 ARG 14 5.355 -5.615 -1.124 109 HE ARG 14 HE ARG 14 8.103 -5.854 -1.979 110 HH11 ARG 14 HH11 ARG 14 5.047 -7.487 -1.510 111 HH12 ARG 14 HH12 ARG 14 5.402 -8.758 -2.636 112 HH21 ARG 14 HH21 ARG 14 8.584 -7.510 -3.473 113 HH22 ARG 14 HH22 ARG 14 7.429 -8.775 -3.754 114 H VAL 15 HN VAL 15 7.252 -0.257 0.757 115 HA VAL 15 HA VAL 15 6.057 -1.142 3.288 116 HB VAL 15 HB VAL 15 5.514 1.234 3.690 117 HG11 VAL 15 HG11 VAL 15 7.553 0.308 4.609 118 HG12 VAL 15 HG12 VAL 15 7.818 1.984 4.126 119 HG13 VAL 15 HG13 VAL 15 8.418 0.668 3.116 120 HG21 VAL 15 HG21 VAL 15 5.331 2.120 1.489 121 HG22 VAL 15 HG22 VAL 15 7.002 1.690 1.116 122 HG23 VAL 15 HG23 VAL 15 6.659 2.958 2.295 123 H CYS 16 HN CYS 16 4.095 -1.969 3.124 124 HA CYS 16 HA CYS 16 2.399 -1.036 0.927 125 HB2 CYS 16 HB2 CYS 16 2.988 -3.611 1.698 126 HB3 CYS 16 HB1 CYS 16 1.419 -3.324 2.447 127 H HIS 17 HN HIS 17 0.457 -0.185 1.250 128 HA HIS 17 HA HIS 17 -0.331 0.324 4.046 129 HB2 HIS 17 HB2 HIS 17 -1.103 2.252 1.900 130 HB3 HIS 17 HB1 HIS 17 -0.797 2.547 3.603 131 HD1 HIS 17 HD1 HIS 17 0.486 3.581 0.587 132 HD2 HIS 17 HD2 HIS 17 2.305 1.929 3.937 133 HE1 HIS 17 HE1 HIS 17 2.900 4.256 0.452 134 HE2 HIS 17 HE2 HIS 17 3.911 3.452 2.610 135 H ARG 18 HN ARG 18 -2.460 -0.023 4.520 136 HA ARG 18 HA ARG 18 -4.120 -1.174 2.424 137 HB2 ARG 18 HB2 ARG 18 -3.918 -2.219 4.708 138 HB3 ARG 18 HB1 ARG 18 -4.738 -0.812 5.362 139 HG2 ARG 18 HG2 ARG 18 -6.338 -2.536 5.124 140 HG3 ARG 18 HG1 ARG 18 -6.662 -1.329 3.878 141 HD2 ARG 18 HD2 ARG 18 -5.449 -2.726 2.249 142 HD3 ARG 18 HD1 ARG 18 -5.197 -3.939 3.503 143 HE ARG 18 HE ARG 18 -7.944 -3.388 3.288 144 HH11 ARG 18 HH11 ARG 18 -5.350 -5.005 1.588 145 HH12 ARG 18 HH12 ARG 18 -6.408 -6.051 0.702 146 HH21 ARG 18 HH21 ARG 18 -9.343 -4.768 2.131 147 HH22 ARG 18 HH22 ARG 18 -8.683 -5.921 1.019 148 H ARG 19 HN ARG 19 -4.985 0.409 1.172 149 HA ARG 19 HA ARG 19 -6.125 2.733 2.576 150 HB2 ARG 19 HB2 ARG 19 -5.442 4.149 0.886 151 HB3 ARG 19 HB1 ARG 19 -4.122 2.992 0.914 152 HG2 ARG 19 HG2 ARG 19 -4.454 2.987 -1.304 153 HG3 ARG 19 HG1 ARG 19 -5.724 1.825 -0.909 154 HD2 ARG 19 HD2 ARG 19 -6.673 3.456 -2.369 155 HD3 ARG 19 HD1 ARG 19 -7.315 3.754 -0.751 156 HE ARG 19 HE ARG 19 -5.006 5.321 -1.174 157 HH11 ARG 19 HH11 ARG 19 -8.362 5.115 -2.134 158 HH12 ARG 19 HH12 ARG 19 -8.499 6.806 -2.482 159 HH21 ARG 19 HH21 ARG 19 -5.189 7.554 -1.610 160 HH22 ARG 19 HH22 ARG 19 -6.703 8.195 -2.169 161 H CYS 20 HN CYS 20 -7.988 3.727 1.544 162 HA CYS 20 HA CYS 20 -9.634 1.843 0.000 163 HB2 CYS 20 HB2 CYS 20 -10.674 3.454 2.332 164 HB3 CYS 20 HB1 CYS 20 -11.524 2.198 1.439 165 H ASN 21 HN ASN 21 -11.122 2.857 -1.422 166 HA ASN 21 HA ASN 21 -10.618 5.717 -1.775 167 HB2 ASN 21 HB2 ASN 21 -11.694 5.467 -3.996 168 HB3 ASN 21 HB1 ASN 21 -10.286 4.435 -3.797 169 HD21 ASN 21 HD21 ASN 21 -12.692 4.322 -5.542 170 HD22 ASN 21 HD22 ASN 21 -13.337 2.733 -5.310 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -16.459 2.868 2.721 2 H2 ALA 1 HT2 ALA 1 -15.519 1.703 3.505 3 H3 ALA 1 HT3 ALA 1 -16.634 1.232 2.327 4 HA ALA 1 HA ALA 1 -15.393 2.359 0.629 5 HB1 ALA 1 HB1 ALA 1 -14.487 4.141 2.054 6 HB2 ALA 1 HB2 ALA 1 -13.224 3.339 1.120 7 HB3 ALA 1 HB3 ALA 1 -13.426 2.966 2.832 8 H PHE 2 HN PHE 2 -13.891 1.197 -0.559 9 HA PHE 2 HA PHE 2 -13.252 -1.421 0.558 10 HB2 PHE 2 HB2 PHE 2 -14.323 -1.568 -1.554 11 HB3 PHE 2 HB1 PHE 2 -13.311 -0.305 -2.243 12 HD1 PHE 2 HD1 PHE 2 -11.295 -0.830 -3.319 13 HD2 PHE 2 HD2 PHE 2 -13.314 -3.774 -1.015 14 HE1 PHE 2 HE1 PHE 2 -9.784 -2.555 -4.198 15 HE2 PHE 2 HE2 PHE 2 -11.818 -5.502 -1.892 16 HZ PHE 2 HZ PHE 2 -10.008 -4.848 -3.528 17 H CYS 3 HN CYS 3 -11.323 -1.754 1.405 18 HA CYS 3 HA CYS 3 -9.097 -0.039 0.594 19 HB2 CYS 3 HB2 CYS 3 -9.721 -1.575 3.063 20 HB3 CYS 3 HB1 CYS 3 -8.030 -1.362 2.638 21 H TRP 4 HN TRP 4 -7.373 -0.757 -0.389 22 HA TRP 4 HA TRP 4 -6.982 -3.654 -0.717 23 HB2 TRP 4 HB2 TRP 4 -6.225 -3.266 -3.016 24 HB3 TRP 4 HB1 TRP 4 -7.870 -2.679 -2.815 25 HD1 TRP 4 HD1 TRP 4 -4.262 -1.331 -3.082 26 HE1 TRP 4 HE1 TRP 4 -4.364 1.068 -4.006 27 HE3 TRP 4 HE3 TRP 4 -9.337 -0.681 -3.190 28 HZ2 TRP 4 HZ2 TRP 4 -6.267 2.947 -4.688 29 HZ3 TRP 4 HZ3 TRP 4 -10.221 1.469 -4.008 30 HH2 TRP 4 HH2 TRP 4 -8.718 3.250 -4.746 31 H ASN 5 HN ASN 5 -4.559 -3.827 -1.760 32 HA ASN 5 HA ASN 5 -2.893 -2.312 0.121 33 HB2 ASN 5 HB2 ASN 5 -1.220 -4.088 -0.145 34 HB3 ASN 5 HB1 ASN 5 -2.766 -4.732 0.394 35 HD21 ASN 5 HD21 ASN 5 -0.435 -4.629 -2.154 36 HD22 ASN 5 HD22 ASN 5 -1.139 -5.876 -3.124 37 H VAL 6 HN VAL 6 -1.472 -0.881 -0.568 38 HA VAL 6 HA VAL 6 -0.641 -0.961 -3.397 39 HB VAL 6 HB VAL 6 -0.630 1.477 -1.601 40 HG11 VAL 6 HG11 VAL 6 -0.151 1.193 -4.564 41 HG12 VAL 6 HG12 VAL 6 1.091 1.460 -3.344 42 HG13 VAL 6 HG13 VAL 6 -0.128 2.699 -3.645 43 HG21 VAL 6 HG21 VAL 6 -2.538 0.769 -3.833 44 HG22 VAL 6 HG22 VAL 6 -2.500 2.301 -2.964 45 HG23 VAL 6 HG23 VAL 6 -2.928 0.816 -2.116 46 H CYS 7 HN CYS 7 1.242 -2.010 -3.401 47 HA CYS 7 HA CYS 7 3.126 -1.675 -1.208 48 HB2 CYS 7 HB2 CYS 7 2.978 -3.553 -3.543 49 HB3 CYS 7 HB1 CYS 7 4.437 -3.418 -2.576 50 H VAL 8 HN VAL 8 4.472 -0.032 -1.286 51 HA VAL 8 HA VAL 8 5.521 0.825 -3.910 52 HB VAL 8 HB VAL 8 5.280 2.387 -1.339 53 HG11 VAL 8 HG11 VAL 8 6.394 3.220 -4.008 54 HG12 VAL 8 HG12 VAL 8 7.263 3.114 -2.473 55 HG13 VAL 8 HG13 VAL 8 6.007 4.333 -2.696 56 HG21 VAL 8 HG21 VAL 8 3.819 2.671 -3.957 57 HG22 VAL 8 HG22 VAL 8 3.663 3.755 -2.576 58 HG23 VAL 8 HG23 VAL 8 3.140 2.076 -2.442 59 H TYR 9 HN TYR 9 7.663 0.772 -4.252 60 HA TYR 9 HA TYR 9 9.396 -0.238 -2.167 61 HB2 TYR 9 HB2 TYR 9 9.574 0.106 -5.102 62 HB3 TYR 9 HB1 TYR 9 11.078 0.258 -4.210 63 HD1 TYR 9 HD1 TYR 9 8.401 -2.018 -5.222 64 HD2 TYR 9 HD2 TYR 9 12.023 -1.639 -3.027 65 HE1 TYR 9 HE1 TYR 9 8.589 -4.466 -5.123 66 HE2 TYR 9 HE2 TYR 9 12.225 -4.084 -2.920 67 HH TYR 9 HH TYR 9 10.815 -6.061 -3.074 68 H ARG 10 HN ARG 10 9.783 1.248 -0.682 69 HA ARG 10 HA ARG 10 10.738 3.884 -1.588 70 HB2 ARG 10 HB2 ARG 10 8.520 3.816 -0.375 71 HB3 ARG 10 HB1 ARG 10 9.394 3.261 1.043 72 HG2 ARG 10 HG2 ARG 10 10.691 5.329 1.057 73 HG3 ARG 10 HG1 ARG 10 9.821 5.877 -0.379 74 HD2 ARG 10 HD2 ARG 10 7.707 5.719 0.899 75 HD3 ARG 10 HD1 ARG 10 8.640 5.301 2.334 76 HE ARG 10 HE ARG 10 9.711 7.661 1.429 77 HH11 ARG 10 HH11 ARG 10 6.554 6.569 2.475 78 HH12 ARG 10 HH12 ARG 10 6.071 8.130 3.056 79 HH21 ARG 10 HH21 ARG 10 9.076 9.715 2.188 80 HH22 ARG 10 HH22 ARG 10 7.503 9.917 2.894 81 H ASN 11 HN ASN 11 12.852 4.027 -1.336 82 HA ASN 11 HA ASN 11 14.978 3.720 -0.617 83 HB2 ASN 11 HB2 ASN 11 13.610 3.239 2.039 84 HB3 ASN 11 HB1 ASN 11 15.357 3.301 1.843 85 HD21 ASN 11 HD21 ASN 11 12.433 5.112 2.002 86 HD22 ASN 11 HD22 ASN 11 13.155 6.684 1.980 87 H ALA 12 HN ALA 12 13.663 1.637 -1.881 88 HA ALA 12 HA ALA 12 13.919 -0.529 -2.475 89 HB1 ALA 12 HB1 ALA 12 15.870 -1.771 -1.759 90 HB2 ALA 12 HB2 ALA 12 16.186 -0.584 -0.492 91 HB3 ALA 12 HB3 ALA 12 16.312 -0.117 -2.188 92 H VAL 13 HN VAL 13 12.648 0.412 0.286 93 HA VAL 13 HA VAL 13 12.144 -2.310 1.267 94 HB VAL 13 HB VAL 13 11.334 0.275 2.583 95 HG11 VAL 13 HG11 VAL 13 11.054 -1.124 4.581 96 HG12 VAL 13 HG12 VAL 13 11.465 -2.547 3.625 97 HG13 VAL 13 HG13 VAL 13 10.004 -1.630 3.259 98 HG21 VAL 13 HG21 VAL 13 13.754 -1.434 3.144 99 HG22 VAL 13 HG22 VAL 13 13.221 -0.066 4.122 100 HG23 VAL 13 HG23 VAL 13 13.760 0.191 2.462 101 H ARG 14 HN ARG 14 10.316 -3.239 0.694 102 HA ARG 14 HA ARG 14 8.361 -1.776 -0.808 103 HB2 ARG 14 HB2 ARG 14 9.092 -4.101 -1.383 104 HB3 ARG 14 HB1 ARG 14 8.275 -4.664 0.071 105 HG2 ARG 14 HG2 ARG 14 6.158 -3.813 -0.791 106 HG3 ARG 14 HG1 ARG 14 6.993 -3.246 -2.234 107 HD2 ARG 14 HD2 ARG 14 5.888 -5.338 -2.699 108 HD3 ARG 14 HD1 ARG 14 7.634 -5.562 -2.755 109 HE ARG 14 HE ARG 14 7.242 -6.364 -0.314 110 HH11 ARG 14 HH11 ARG 14 5.096 -6.891 -3.033 111 HH12 ARG 14 HH12 ARG 14 4.498 -8.401 -2.432 112 HH21 ARG 14 HH21 ARG 14 6.453 -8.358 0.481 113 HH22 ARG 14 HH22 ARG 14 5.261 -9.230 -0.430 114 H VAL 15 HN VAL 15 7.174 -0.453 0.409 115 HA VAL 15 HA VAL 15 5.911 -1.523 2.829 116 HB VAL 15 HB VAL 15 5.248 0.861 3.256 117 HG11 VAL 15 HG11 VAL 15 7.504 1.567 3.975 118 HG12 VAL 15 HG12 VAL 15 8.194 0.257 3.017 119 HG13 VAL 15 HG13 VAL 15 7.152 -0.110 4.391 120 HG21 VAL 15 HG21 VAL 15 7.144 1.439 0.982 121 HG22 VAL 15 HG22 VAL 15 6.425 2.635 2.060 122 HG23 VAL 15 HG23 VAL 15 5.399 1.703 0.971 123 H CYS 16 HN CYS 16 3.932 -2.332 2.592 124 HA CYS 16 HA CYS 16 2.290 -1.318 0.398 125 HB2 CYS 16 HB2 CYS 16 2.657 -3.899 1.402 126 HB3 CYS 16 HB1 CYS 16 1.048 -3.417 1.938 127 H HIS 17 HN HIS 17 0.516 -0.185 0.684 128 HA HIS 17 HA HIS 17 -0.101 0.647 3.441 129 HB2 HIS 17 HB2 HIS 17 -0.914 2.123 0.941 130 HB3 HIS 17 HB1 HIS 17 -0.831 2.735 2.585 131 HD1 HIS 17 HD1 HIS 17 0.716 3.465 -0.319 132 HD2 HIS 17 HD2 HIS 17 2.267 2.167 3.312 133 HE1 HIS 17 HE1 HIS 17 3.119 4.186 -0.314 134 HE2 HIS 17 HE2 HIS 17 3.955 3.614 1.994 135 H ARG 18 HN ARG 18 -2.260 0.715 4.110 136 HA ARG 18 HA ARG 18 -4.104 -0.889 2.539 137 HB2 ARG 18 HB2 ARG 18 -3.792 -1.145 5.046 138 HB3 ARG 18 HB1 ARG 18 -4.587 0.411 5.221 139 HG2 ARG 18 HG2 ARG 18 -6.193 -1.302 5.596 140 HG3 ARG 18 HG1 ARG 18 -6.557 -0.531 4.050 141 HD2 ARG 18 HD2 ARG 18 -5.543 -2.353 2.845 142 HD3 ARG 18 HD1 ARG 18 -4.998 -3.094 4.348 143 HE ARG 18 HE ARG 18 -7.720 -2.891 4.598 144 HH11 ARG 18 HH11 ARG 18 -5.530 -4.397 2.326 145 HH12 ARG 18 HH12 ARG 18 -6.613 -5.698 1.948 146 HH21 ARG 18 HH21 ARG 18 -9.151 -4.599 4.101 147 HH22 ARG 18 HH22 ARG 18 -8.678 -5.808 2.951 148 H ARG 19 HN ARG 19 -4.922 0.252 0.905 149 HA ARG 19 HA ARG 19 -5.598 3.070 1.361 150 HB2 ARG 19 HB2 ARG 19 -3.932 3.047 -0.231 151 HB3 ARG 19 HB1 ARG 19 -4.472 1.534 -0.930 152 HG2 ARG 19 HG2 ARG 19 -4.772 3.377 -2.452 153 HG3 ARG 19 HG1 ARG 19 -6.316 2.664 -2.015 154 HD2 ARG 19 HD2 ARG 19 -6.306 5.137 -2.118 155 HD3 ARG 19 HD1 ARG 19 -6.818 4.479 -0.569 156 HE ARG 19 HE ARG 19 -4.019 5.255 -0.801 157 HH11 ARG 19 HH11 ARG 19 -7.250 6.087 0.248 158 HH12 ARG 19 HH12 ARG 19 -6.719 7.290 1.374 159 HH21 ARG 19 HH21 ARG 19 -3.308 6.858 0.678 160 HH22 ARG 19 HH22 ARG 19 -4.474 7.725 1.629 161 H CYS 20 HN CYS 20 -7.612 3.684 1.240 162 HA CYS 20 HA CYS 20 -9.622 1.873 0.080 163 HB2 CYS 20 HB2 CYS 20 -9.593 3.630 2.461 164 HB3 CYS 20 HB1 CYS 20 -11.082 3.653 1.527 165 H ASN 21 HN ASN 21 -11.452 2.895 -1.013 166 HA ASN 21 HA ASN 21 -10.627 5.278 -2.475 167 HB2 ASN 21 HB2 ASN 21 -12.553 4.794 -3.963 168 HB3 ASN 21 HB1 ASN 21 -11.409 3.464 -3.869 169 HD21 ASN 21 HD21 ASN 21 -14.295 3.636 -4.558 170 HD22 ASN 21 HD22 ASN 21 -15.067 2.464 -3.551 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 -16.538 0.320 -0.135 2 H2 ALA 1 HT2 ALA 1 -17.024 0.819 1.405 3 H3 ALA 1 HT3 ALA 1 -15.930 -0.459 1.240 4 HA ALA 1 HA ALA 1 -15.449 2.360 0.519 5 HB1 ALA 1 HB1 ALA 1 -14.253 0.679 2.708 6 HB2 ALA 1 HB2 ALA 1 -15.443 1.961 2.930 7 HB3 ALA 1 HB3 ALA 1 -13.827 2.347 2.335 8 H PHE 2 HN PHE 2 -14.742 -0.859 -0.090 9 HA PHE 2 HA PHE 2 -13.075 -1.992 -1.151 10 HB2 PHE 2 HB2 PHE 2 -14.211 -0.820 -2.993 11 HB3 PHE 2 HB1 PHE 2 -13.074 0.515 -2.836 12 HD1 PHE 2 HD1 PHE 2 -11.162 0.525 -4.115 13 HD2 PHE 2 HD2 PHE 2 -13.174 -3.151 -3.412 14 HE1 PHE 2 HE1 PHE 2 -9.629 -0.606 -5.663 15 HE2 PHE 2 HE2 PHE 2 -11.653 -4.288 -4.961 16 HZ PHE 2 HZ PHE 2 -9.858 -3.005 -6.091 17 H CYS 3 HN CYS 3 -11.477 -2.124 0.371 18 HA CYS 3 HA CYS 3 -9.350 -0.099 0.227 19 HB2 CYS 3 HB2 CYS 3 -9.775 -2.160 2.393 20 HB3 CYS 3 HB1 CYS 3 -8.677 -0.787 2.434 21 H TRP 4 HN TRP 4 -7.294 -0.672 -0.320 22 HA TRP 4 HA TRP 4 -6.732 -3.507 -0.778 23 HB2 TRP 4 HB2 TRP 4 -5.932 -3.130 -3.026 24 HB3 TRP 4 HB1 TRP 4 -7.593 -2.568 -2.910 25 HD1 TRP 4 HD1 TRP 4 -4.074 -1.377 -3.655 26 HE1 TRP 4 HE1 TRP 4 -4.167 1.060 -4.473 27 HE3 TRP 4 HE3 TRP 4 -8.957 -0.322 -2.553 28 HZ2 TRP 4 HZ2 TRP 4 -6.029 3.147 -4.608 29 HZ3 TRP 4 HZ3 TRP 4 -9.812 1.928 -3.058 30 HH2 TRP 4 HH2 TRP 4 -8.382 3.625 -4.066 31 H ASN 5 HN ASN 5 -4.394 -3.802 -1.444 32 HA ASN 5 HA ASN 5 -2.775 -2.222 0.408 33 HB2 ASN 5 HB2 ASN 5 -2.269 -4.886 -0.925 34 HB3 ASN 5 HB1 ASN 5 -1.100 -4.068 0.106 35 HD21 ASN 5 HD21 ASN 5 -2.341 -6.655 0.455 36 HD22 ASN 5 HD22 ASN 5 -3.170 -6.600 1.972 37 H VAL 6 HN VAL 6 -1.861 -0.510 -0.489 38 HA VAL 6 HA VAL 6 -0.769 -0.659 -3.198 39 HB VAL 6 HB VAL 6 -0.683 1.691 -1.304 40 HG11 VAL 6 HG11 VAL 6 -0.395 1.531 -4.299 41 HG12 VAL 6 HG12 VAL 6 0.920 1.760 -3.148 42 HG13 VAL 6 HG13 VAL 6 -0.322 3.002 -3.329 43 HG21 VAL 6 HG21 VAL 6 -2.755 1.027 -3.386 44 HG22 VAL 6 HG22 VAL 6 -2.622 2.573 -2.552 45 HG23 VAL 6 HG23 VAL 6 -3.001 1.111 -1.643 46 H CYS 7 HN CYS 7 1.162 -1.623 -3.303 47 HA CYS 7 HA CYS 7 3.013 -1.332 -1.046 48 HB2 CYS 7 HB2 CYS 7 3.038 -3.319 -3.327 49 HB3 CYS 7 HB1 CYS 7 4.168 -3.299 -1.977 50 H VAL 8 HN VAL 8 4.483 0.201 -1.232 51 HA VAL 8 HA VAL 8 5.477 0.882 -3.930 52 HB VAL 8 HB VAL 8 5.513 2.569 -1.422 53 HG11 VAL 8 HG11 VAL 8 7.391 3.138 -2.807 54 HG12 VAL 8 HG12 VAL 8 6.175 4.407 -2.957 55 HG13 VAL 8 HG13 VAL 8 6.362 3.212 -4.240 56 HG21 VAL 8 HG21 VAL 8 3.836 3.959 -2.549 57 HG22 VAL 8 HG22 VAL 8 3.253 2.317 -2.268 58 HG23 VAL 8 HG23 VAL 8 3.786 2.802 -3.878 59 H TYR 9 HN TYR 9 7.625 0.710 -4.334 60 HA TYR 9 HA TYR 9 9.315 -0.284 -2.177 61 HB2 TYR 9 HB2 TYR 9 9.326 -0.502 -5.107 62 HB3 TYR 9 HB1 TYR 9 10.911 -0.224 -4.398 63 HD1 TYR 9 HD1 TYR 9 8.222 -2.598 -4.880 64 HD2 TYR 9 HD2 TYR 9 11.822 -1.837 -2.747 65 HE1 TYR 9 HE1 TYR 9 8.374 -4.980 -4.298 66 HE2 TYR 9 HE2 TYR 9 11.993 -4.217 -2.164 67 HH TYR 9 HH TYR 9 10.202 -6.610 -3.674 68 H ARG 10 HN ARG 10 9.857 1.421 -0.962 69 HA ARG 10 HA ARG 10 11.224 3.628 -2.329 70 HB2 ARG 10 HB2 ARG 10 10.433 5.122 -0.601 71 HB3 ARG 10 HB1 ARG 10 9.067 4.303 -1.329 72 HG2 ARG 10 HG2 ARG 10 9.084 2.719 0.580 73 HG3 ARG 10 HG1 ARG 10 10.332 3.710 1.331 74 HD2 ARG 10 HD2 ARG 10 7.559 4.627 0.575 75 HD3 ARG 10 HD1 ARG 10 8.117 4.261 2.205 76 HE ARG 10 HE ARG 10 9.812 6.200 1.107 77 HH11 ARG 10 HH11 ARG 10 6.501 5.871 2.178 78 HH12 ARG 10 HH12 ARG 10 6.338 7.540 2.612 79 HH21 ARG 10 HH21 ARG 10 9.608 8.401 1.691 80 HH22 ARG 10 HH22 ARG 10 8.101 8.982 2.330 81 H ASN 11 HN ASN 11 13.251 3.959 -1.764 82 HA ASN 11 HA ASN 11 15.321 3.557 -0.912 83 HB2 ASN 11 HB2 ASN 11 13.840 3.159 1.702 84 HB3 ASN 11 HB1 ASN 11 15.568 3.448 1.526 85 HD21 ASN 11 HD21 ASN 11 12.436 4.840 1.607 86 HD22 ASN 11 HD22 ASN 11 12.928 6.492 1.485 87 H ALA 12 HN ALA 12 13.918 1.419 -2.092 88 HA ALA 12 HA ALA 12 14.021 -0.804 -2.466 89 HB1 ALA 12 HB1 ALA 12 15.915 -2.082 -1.647 90 HB2 ALA 12 HB2 ALA 12 16.322 -0.785 -0.524 91 HB3 ALA 12 HB3 ALA 12 16.433 -0.511 -2.263 92 H VAL 13 HN VAL 13 12.630 0.407 -0.005 93 HA VAL 13 HA VAL 13 12.172 -2.125 1.421 94 HB VAL 13 HB VAL 13 11.332 0.648 2.267 95 HG11 VAL 13 HG11 VAL 13 10.930 -0.379 4.445 96 HG12 VAL 13 HG12 VAL 13 11.378 -1.951 3.785 97 HG13 VAL 13 HG13 VAL 13 9.942 -1.120 3.187 98 HG21 VAL 13 HG21 VAL 13 13.679 -0.986 3.221 99 HG22 VAL 13 HG22 VAL 13 13.150 0.552 3.902 100 HG23 VAL 13 HG23 VAL 13 13.765 0.485 2.250 101 H ARG 14 HN ARG 14 10.307 -3.138 1.113 102 HA ARG 14 HA ARG 14 8.340 -2.007 -0.666 103 HB2 ARG 14 HB2 ARG 14 9.137 -4.438 -0.662 104 HB3 ARG 14 HB1 ARG 14 8.150 -4.640 0.783 105 HG2 ARG 14 HG2 ARG 14 6.226 -3.731 -0.584 106 HG3 ARG 14 HG1 ARG 14 7.272 -3.947 -1.987 107 HD2 ARG 14 HD2 ARG 14 6.374 -6.088 -0.069 108 HD3 ARG 14 HD1 ARG 14 5.829 -5.870 -1.730 109 HE ARG 14 HE ARG 14 8.582 -6.172 -1.841 110 HH11 ARG 14 HH11 ARG 14 5.806 -8.051 -0.835 111 HH12 ARG 14 HH12 ARG 14 6.565 -9.581 -1.152 112 HH21 ARG 14 HH21 ARG 14 9.584 -8.186 -2.263 113 HH22 ARG 14 HH22 ARG 14 8.715 -9.656 -1.954 114 H VAL 15 HN VAL 15 6.873 -0.653 0.158 115 HA VAL 15 HA VAL 15 5.860 -1.247 2.851 116 HB VAL 15 HB VAL 15 7.111 0.886 2.662 117 HG11 VAL 15 HG11 VAL 15 6.153 2.808 1.561 118 HG12 VAL 15 HG12 VAL 15 4.827 1.818 0.951 119 HG13 VAL 15 HG13 VAL 15 6.475 1.523 0.394 120 HG21 VAL 15 HG21 VAL 15 5.482 2.233 3.878 121 HG22 VAL 15 HG22 VAL 15 5.460 0.550 4.403 122 HG23 VAL 15 HG23 VAL 15 4.194 1.157 3.337 123 H CYS 16 HN CYS 16 3.959 -2.177 2.777 124 HA CYS 16 HA CYS 16 2.127 -1.501 0.601 125 HB2 CYS 16 HB2 CYS 16 2.027 -3.766 2.600 126 HB3 CYS 16 HB1 CYS 16 0.868 -3.499 1.300 127 H HIS 17 HN HIS 17 0.660 -0.041 0.940 128 HA HIS 17 HA HIS 17 -0.156 0.564 3.696 129 HB2 HIS 17 HB2 HIS 17 -0.950 2.154 1.272 130 HB3 HIS 17 HB1 HIS 17 -0.901 2.676 2.945 131 HD1 HIS 17 HD1 HIS 17 0.688 3.521 0.054 132 HD2 HIS 17 HD2 HIS 17 2.159 2.269 3.732 133 HE1 HIS 17 HE1 HIS 17 3.059 4.340 0.148 134 HE2 HIS 17 HE2 HIS 17 3.821 3.806 2.488 135 H ARG 18 HN ARG 18 -2.253 0.348 4.345 136 HA ARG 18 HA ARG 18 -4.084 -0.951 2.479 137 HB2 ARG 18 HB2 ARG 18 -3.699 -1.871 4.809 138 HB3 ARG 18 HB1 ARG 18 -4.482 -0.426 5.432 139 HG2 ARG 18 HG2 ARG 18 -6.083 -2.187 5.384 140 HG3 ARG 18 HG1 ARG 18 -6.500 -1.026 4.122 141 HD2 ARG 18 HD2 ARG 18 -5.497 -2.441 2.438 142 HD3 ARG 18 HD1 ARG 18 -4.957 -3.576 3.674 143 HE ARG 18 HE ARG 18 -7.763 -3.254 3.808 144 HH11 ARG 18 HH11 ARG 18 -5.255 -4.730 1.871 145 HH12 ARG 18 HH12 ARG 18 -6.285 -5.983 1.252 146 HH21 ARG 18 HH21 ARG 18 -9.136 -4.910 2.994 147 HH22 ARG 18 HH22 ARG 18 -8.486 -6.092 1.901 148 H ARG 19 HN ARG 19 -4.937 0.615 1.214 149 HA ARG 19 HA ARG 19 -6.047 2.972 2.584 150 HB2 ARG 19 HB2 ARG 19 -5.274 4.364 0.953 151 HB3 ARG 19 HB1 ARG 19 -4.059 3.106 0.798 152 HG2 ARG 19 HG2 ARG 19 -4.572 3.140 -1.370 153 HG3 ARG 19 HG1 ARG 19 -6.013 2.232 -0.909 154 HD2 ARG 19 HD2 ARG 19 -6.674 4.099 -2.276 155 HD3 ARG 19 HD1 ARG 19 -7.216 4.382 -0.619 156 HE ARG 19 HE ARG 19 -4.661 5.553 -1.386 157 HH11 ARG 19 HH11 ARG 19 -8.096 6.017 -0.863 158 HH12 ARG 19 HH12 ARG 19 -7.971 7.745 -0.759 159 HH21 ARG 19 HH21 ARG 19 -4.501 7.830 -1.249 160 HH22 ARG 19 HH22 ARG 19 -5.928 8.772 -0.963 161 H CYS 20 HN CYS 20 -7.973 3.863 1.634 162 HA CYS 20 HA CYS 20 -9.598 1.821 0.271 163 HB2 CYS 20 HB2 CYS 20 -10.573 3.753 2.379 164 HB3 CYS 20 HB1 CYS 20 -11.494 2.453 1.632 165 H ASN 21 HN ASN 21 -11.487 2.748 -0.878 166 HA ASN 21 HA ASN 21 -10.638 5.002 -2.441 167 HB2 ASN 21 HB2 ASN 21 -11.798 3.217 -3.571 168 HB3 ASN 21 HB1 ASN 21 -13.176 3.363 -2.487 169 HD21 ASN 21 HD21 ASN 21 -11.477 4.771 -5.163 170 HD22 ASN 21 HD22 ASN 21 -12.735 5.851 -5.655 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 -17.390 0.630 -0.737 2 H2 ALA 1 HT2 ALA 1 -17.007 0.810 -2.372 3 H3 ALA 1 HT3 ALA 1 -17.538 2.143 -1.476 4 HA ALA 1 HA ALA 1 -15.162 2.227 -1.841 5 HB1 ALA 1 HB1 ALA 1 -16.126 3.202 0.200 6 HB2 ALA 1 HB2 ALA 1 -14.491 2.594 0.457 7 HB3 ALA 1 HB3 ALA 1 -15.874 1.668 1.037 8 H PHE 2 HN PHE 2 -13.374 1.114 -2.221 9 HA PHE 2 HA PHE 2 -13.226 -1.650 -1.199 10 HB2 PHE 2 HB2 PHE 2 -13.532 -1.588 -3.618 11 HB3 PHE 2 HB1 PHE 2 -12.160 -0.500 -3.790 12 HD1 PHE 2 HD1 PHE 2 -10.112 -1.359 -4.293 13 HD2 PHE 2 HD2 PHE 2 -13.017 -3.881 -2.487 14 HE1 PHE 2 HE1 PHE 2 -8.603 -3.269 -4.555 15 HE2 PHE 2 HE2 PHE 2 -11.514 -5.806 -2.748 16 HZ PHE 2 HZ PHE 2 -9.297 -5.507 -3.785 17 H CYS 3 HN CYS 3 -11.551 -2.140 0.060 18 HA CYS 3 HA CYS 3 -9.326 -0.231 0.252 19 HB2 CYS 3 HB2 CYS 3 -10.142 -2.440 2.153 20 HB3 CYS 3 HB1 CYS 3 -8.842 -1.283 2.418 21 H TRP 4 HN TRP 4 -7.208 -0.885 0.001 22 HA TRP 4 HA TRP 4 -6.557 -3.664 -0.369 23 HB2 TRP 4 HB2 TRP 4 -5.756 -3.540 -2.626 24 HB3 TRP 4 HB1 TRP 4 -7.419 -2.975 -2.620 25 HD1 TRP 4 HD1 TRP 4 -3.841 -1.773 -3.236 26 HE1 TRP 4 HE1 TRP 4 -3.941 0.505 -4.424 27 HE3 TRP 4 HE3 TRP 4 -8.848 -0.836 -2.809 28 HZ2 TRP 4 HZ2 TRP 4 -5.864 2.445 -5.074 29 HZ3 TRP 4 HZ3 TRP 4 -9.733 1.255 -3.739 30 HH2 TRP 4 HH2 TRP 4 -8.274 2.865 -4.849 31 H ASN 5 HN ASN 5 -4.156 -3.834 -1.022 32 HA ASN 5 HA ASN 5 -2.734 -1.948 0.707 33 HB2 ASN 5 HB2 ASN 5 -2.060 -4.738 -0.225 34 HB3 ASN 5 HB1 ASN 5 -0.902 -3.708 0.612 35 HD21 ASN 5 HD21 ASN 5 -1.955 -6.246 1.446 36 HD22 ASN 5 HD22 ASN 5 -2.761 -5.982 2.951 37 H VAL 6 HN VAL 6 -1.851 -0.328 -0.321 38 HA VAL 6 HA VAL 6 -0.751 -0.651 -2.995 39 HB VAL 6 HB VAL 6 -0.741 1.782 -1.200 40 HG11 VAL 6 HG11 VAL 6 1.023 1.813 -2.891 41 HG12 VAL 6 HG12 VAL 6 -0.215 3.020 -3.240 42 HG13 VAL 6 HG13 VAL 6 -0.174 1.510 -4.150 43 HG21 VAL 6 HG21 VAL 6 -2.594 1.080 -3.471 44 HG22 VAL 6 HG22 VAL 6 -2.568 2.613 -2.599 45 HG23 VAL 6 HG23 VAL 6 -3.016 1.128 -1.760 46 H CYS 7 HN CYS 7 1.164 -1.616 -3.080 47 HA CYS 7 HA CYS 7 3.042 -1.269 -0.868 48 HB2 CYS 7 HB2 CYS 7 3.043 -3.276 -3.125 49 HB3 CYS 7 HB1 CYS 7 4.176 -3.252 -1.780 50 H VAL 8 HN VAL 8 4.479 0.256 -1.085 51 HA VAL 8 HA VAL 8 5.371 1.048 -3.777 52 HB VAL 8 HB VAL 8 5.479 2.546 -1.162 53 HG11 VAL 8 HG11 VAL 8 6.280 4.469 -2.447 54 HG12 VAL 8 HG12 VAL 8 6.373 3.455 -3.889 55 HG13 VAL 8 HG13 VAL 8 7.416 3.121 -2.504 56 HG21 VAL 8 HG21 VAL 8 3.829 3.017 -3.635 57 HG22 VAL 8 HG22 VAL 8 3.873 4.068 -2.221 58 HG23 VAL 8 HG23 VAL 8 3.238 2.428 -2.082 59 H TYR 9 HN TYR 9 7.459 0.847 -4.335 60 HA TYR 9 HA TYR 9 9.323 -0.258 -2.403 61 HB2 TYR 9 HB2 TYR 9 9.179 -0.095 -5.342 62 HB3 TYR 9 HB1 TYR 9 10.791 0.106 -4.671 63 HD1 TYR 9 HD1 TYR 9 7.932 -2.193 -4.967 64 HD2 TYR 9 HD2 TYR 9 11.955 -1.727 -3.674 65 HE1 TYR 9 HE1 TYR 9 8.131 -4.630 -4.722 66 HE2 TYR 9 HE2 TYR 9 12.171 -4.162 -3.427 67 HH TYR 9 HH TYR 9 10.698 -6.117 -3.083 68 H ARG 10 HN ARG 10 9.905 1.264 -1.032 69 HA ARG 10 HA ARG 10 11.072 3.740 -2.110 70 HB2 ARG 10 HB2 ARG 10 8.865 4.112 -1.060 71 HB3 ARG 10 HB1 ARG 10 9.449 3.368 0.418 72 HG2 ARG 10 HG2 ARG 10 9.425 5.740 0.650 73 HG3 ARG 10 HG1 ARG 10 11.097 5.180 0.647 74 HD2 ARG 10 HD2 ARG 10 11.323 5.849 -1.683 75 HD3 ARG 10 HD1 ARG 10 9.633 6.353 -1.716 76 HE ARG 10 HE ARG 10 11.319 7.632 0.278 77 HH11 ARG 10 HH11 ARG 10 9.842 7.818 -2.895 78 HH12 ARG 10 HH12 ARG 10 10.011 9.540 -3.011 79 HH21 ARG 10 HH21 ARG 10 11.541 9.905 0.121 80 HH22 ARG 10 HH22 ARG 10 10.991 10.727 -1.306 81 H ASN 11 HN ASN 11 13.162 3.913 -1.610 82 HA ASN 11 HA ASN 11 15.206 3.525 -0.693 83 HB2 ASN 11 HB2 ASN 11 13.625 2.795 1.787 84 HB3 ASN 11 HB1 ASN 11 15.369 3.018 1.731 85 HD21 ASN 11 HD21 ASN 11 13.293 4.410 3.250 86 HD22 ASN 11 HD22 ASN 11 13.465 6.086 2.862 87 H ALA 12 HN ALA 12 13.790 1.522 -2.149 88 HA ALA 12 HA ALA 12 13.928 -0.640 -2.797 89 HB1 ALA 12 HB1 ALA 12 15.819 -2.002 -2.109 90 HB2 ALA 12 HB2 ALA 12 16.197 -0.854 -0.824 91 HB3 ALA 12 HB3 ALA 12 16.343 -0.367 -2.511 92 H VAL 13 HN VAL 13 12.618 0.305 -0.109 93 HA VAL 13 HA VAL 13 12.090 -2.391 0.938 94 HB VAL 13 HB VAL 13 11.328 0.231 2.216 95 HG11 VAL 13 HG11 VAL 13 9.982 -1.668 2.919 96 HG12 VAL 13 HG12 VAL 13 11.025 -1.123 4.231 97 HG13 VAL 13 HG13 VAL 13 11.443 -2.571 3.316 98 HG21 VAL 13 HG21 VAL 13 13.748 0.118 2.081 99 HG22 VAL 13 HG22 VAL 13 13.729 -1.504 2.774 100 HG23 VAL 13 HG23 VAL 13 13.219 -0.123 3.747 101 H ARG 14 HN ARG 14 10.201 -3.293 0.522 102 HA ARG 14 HA ARG 14 8.178 -1.850 -0.928 103 HB2 ARG 14 HB2 ARG 14 8.826 -4.153 -1.542 104 HB3 ARG 14 HB1 ARG 14 8.268 -4.719 0.025 105 HG2 ARG 14 HG2 ARG 14 6.002 -3.956 -0.535 106 HG3 ARG 14 HG1 ARG 14 6.600 -3.465 -2.117 107 HD2 ARG 14 HD2 ARG 14 5.495 -5.650 -2.196 108 HD3 ARG 14 HD1 ARG 14 7.197 -5.753 -2.638 109 HE ARG 14 HE ARG 14 7.377 -6.380 -0.089 110 HH11 ARG 14 HH11 ARG 14 4.931 -7.391 -2.379 111 HH12 ARG 14 HH12 ARG 14 4.665 -8.923 -1.610 112 HH21 ARG 14 HH21 ARG 14 7.032 -8.392 0.922 113 HH22 ARG 14 HH22 ARG 14 5.858 -9.488 0.273 114 H VAL 15 HN VAL 15 7.065 -0.483 0.369 115 HA VAL 15 HA VAL 15 6.031 -1.523 2.915 116 HB VAL 15 HB VAL 15 5.427 0.834 3.424 117 HG11 VAL 15 HG11 VAL 15 7.521 -0.115 4.227 118 HG12 VAL 15 HG12 VAL 15 7.716 1.595 3.846 119 HG13 VAL 15 HG13 VAL 15 8.324 0.368 2.735 120 HG21 VAL 15 HG21 VAL 15 5.192 1.717 1.184 121 HG22 VAL 15 HG22 VAL 15 6.906 1.438 0.865 122 HG23 VAL 15 HG23 VAL 15 6.414 2.634 2.065 123 H CYS 16 HN CYS 16 3.987 -2.149 3.063 124 HA CYS 16 HA CYS 16 2.200 -1.451 0.844 125 HB2 CYS 16 HB2 CYS 16 2.042 -3.739 2.805 126 HB3 CYS 16 HB1 CYS 16 0.894 -3.430 1.508 127 H HIS 17 HN HIS 17 0.720 0.004 1.182 128 HA HIS 17 HA HIS 17 -0.114 0.592 3.946 129 HB2 HIS 17 HB2 HIS 17 -0.815 2.349 1.624 130 HB3 HIS 17 HB1 HIS 17 -0.570 2.784 3.307 131 HD1 HIS 17 HD1 HIS 17 0.915 3.273 0.178 132 HD2 HIS 17 HD2 HIS 17 2.422 2.339 3.931 133 HE1 HIS 17 HE1 HIS 17 3.335 3.934 0.117 134 HE2 HIS 17 HE2 HIS 17 4.142 3.604 2.480 135 H ARG 18 HN ARG 18 -2.275 0.483 4.508 136 HA ARG 18 HA ARG 18 -4.055 -0.744 2.560 137 HB2 ARG 18 HB2 ARG 18 -4.173 -1.736 4.737 138 HB3 ARG 18 HB1 ARG 18 -4.367 -0.168 5.510 139 HG2 ARG 18 HG2 ARG 18 -6.568 0.083 4.560 140 HG3 ARG 18 HG1 ARG 18 -6.371 -1.400 3.625 141 HD2 ARG 18 HD2 ARG 18 -6.364 -2.732 5.592 142 HD3 ARG 18 HD1 ARG 18 -6.265 -1.313 6.632 143 HE ARG 18 HE ARG 18 -8.578 -0.897 5.334 144 HH11 ARG 18 HH11 ARG 18 -7.326 -3.701 7.019 145 HH12 ARG 18 HH12 ARG 18 -8.893 -4.275 7.489 146 HH21 ARG 18 HH21 ARG 18 -10.641 -1.653 5.958 147 HH22 ARG 18 HH22 ARG 18 -10.781 -3.113 6.885 148 H ARG 19 HN ARG 19 -5.002 0.577 1.194 149 HA ARG 19 HA ARG 19 -6.024 3.134 2.235 150 HB2 ARG 19 HB2 ARG 19 -5.362 4.235 0.346 151 HB3 ARG 19 HB1 ARG 19 -4.139 2.974 0.350 152 HG2 ARG 19 HG2 ARG 19 -4.767 2.737 -1.790 153 HG3 ARG 19 HG1 ARG 19 -6.069 1.763 -1.099 154 HD2 ARG 19 HD2 ARG 19 -6.999 3.346 -2.666 155 HD3 ARG 19 HD1 ARG 19 -7.489 3.792 -1.028 156 HE ARG 19 HE ARG 19 -5.100 5.107 -2.005 157 HH11 ARG 19 HH11 ARG 19 -8.592 5.289 -1.657 158 HH12 ARG 19 HH12 ARG 19 -8.645 7.008 -1.866 159 HH21 ARG 19 HH21 ARG 19 -5.184 7.367 -2.281 160 HH22 ARG 19 HH22 ARG 19 -6.709 8.189 -2.223 161 H CYS 20 HN CYS 20 -8.026 3.864 1.220 162 HA CYS 20 HA CYS 20 -9.648 1.665 0.154 163 HB2 CYS 20 HB2 CYS 20 -10.498 3.536 2.368 164 HB3 CYS 20 HB1 CYS 20 -11.494 2.280 1.637 165 H ASN 21 HN ASN 21 -11.062 2.237 -1.395 166 HA ASN 21 HA ASN 21 -11.409 5.100 -1.962 167 HB2 ASN 21 HB2 ASN 21 -9.687 4.296 -3.481 168 HB3 ASN 21 HB1 ASN 21 -10.697 2.935 -3.951 169 HD21 ASN 21 HD21 ASN 21 -10.661 3.492 -6.100 170 HD22 ASN 21 HD22 ASN 21 -11.544 4.839 -6.721 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 -15.400 1.087 2.085 2 H2 ALA 1 HT2 ALA 1 -16.748 0.076 2.104 3 H3 ALA 1 HT3 ALA 1 -16.953 1.753 2.060 4 HA ALA 1 HA ALA 1 -17.357 0.769 -0.094 5 HB1 ALA 1 HB1 ALA 1 -15.881 2.213 -1.398 6 HB2 ALA 1 HB2 ALA 1 -14.862 2.446 0.022 7 HB3 ALA 1 HB3 ALA 1 -16.519 3.046 0.017 8 H PHE 2 HN PHE 2 -13.944 0.984 -0.301 9 HA PHE 2 HA PHE 2 -13.469 -1.847 -0.429 10 HB2 PHE 2 HB2 PHE 2 -14.389 -1.462 -2.678 11 HB3 PHE 2 HB1 PHE 2 -13.217 -0.180 -2.948 12 HD1 PHE 2 HD1 PHE 2 -10.992 -0.659 -3.578 13 HD2 PHE 2 HD2 PHE 2 -13.667 -3.799 -2.566 14 HE1 PHE 2 HE1 PHE 2 -9.413 -2.292 -4.500 15 HE2 PHE 2 HE2 PHE 2 -12.096 -5.443 -3.484 16 HZ PHE 2 HZ PHE 2 -9.960 -4.694 -4.458 17 H CYS 3 HN CYS 3 -11.436 -2.234 0.215 18 HA CYS 3 HA CYS 3 -9.459 -0.072 -0.009 19 HB2 CYS 3 HB2 CYS 3 -9.837 -1.771 2.466 20 HB3 CYS 3 HB1 CYS 3 -8.726 -0.422 2.267 21 H TRP 4 HN TRP 4 -7.270 -0.779 -0.090 22 HA TRP 4 HA TRP 4 -6.772 -3.633 -0.269 23 HB2 TRP 4 HB2 TRP 4 -5.945 -3.605 -2.536 24 HB3 TRP 4 HB1 TRP 4 -7.592 -2.992 -2.537 25 HD1 TRP 4 HD1 TRP 4 -4.002 -1.950 -3.264 26 HE1 TRP 4 HE1 TRP 4 -4.022 0.321 -4.466 27 HE3 TRP 4 HE3 TRP 4 -8.948 -0.751 -2.689 28 HZ2 TRP 4 HZ2 TRP 4 -5.858 2.351 -5.073 29 HZ3 TRP 4 HZ3 TRP 4 -9.748 1.384 -3.610 30 HH2 TRP 4 HH2 TRP 4 -8.237 2.903 -4.777 31 H ASN 5 HN ASN 5 -4.384 -3.973 -0.914 32 HA ASN 5 HA ASN 5 -2.831 -2.105 0.709 33 HB2 ASN 5 HB2 ASN 5 -1.127 -3.902 0.805 34 HB3 ASN 5 HB1 ASN 5 -2.686 -4.413 1.439 35 HD21 ASN 5 HD21 ASN 5 -3.907 -5.919 0.280 36 HD22 ASN 5 HD22 ASN 5 -3.207 -6.903 -0.959 37 H VAL 6 HN VAL 6 -1.626 -0.663 -0.232 38 HA VAL 6 HA VAL 6 -0.691 -1.100 -2.985 39 HB VAL 6 HB VAL 6 -0.631 1.474 -1.409 40 HG11 VAL 6 HG11 VAL 6 -0.343 0.918 -4.357 41 HG12 VAL 6 HG12 VAL 6 0.954 1.367 -3.249 42 HG13 VAL 6 HG13 VAL 6 -0.339 2.514 -3.606 43 HG21 VAL 6 HG21 VAL 6 -2.939 0.825 -1.644 44 HG22 VAL 6 HG22 VAL 6 -2.709 0.507 -3.361 45 HG23 VAL 6 HG23 VAL 6 -2.593 2.155 -2.749 46 H CYS 7 HN CYS 7 1.275 -2.010 -3.018 47 HA CYS 7 HA CYS 7 3.177 -1.398 -0.900 48 HB2 CYS 7 HB2 CYS 7 2.857 -3.564 -2.866 49 HB3 CYS 7 HB1 CYS 7 4.521 -3.091 -2.542 50 H VAL 8 HN VAL 8 4.680 0.038 -1.072 51 HA VAL 8 HA VAL 8 5.411 1.040 -3.751 52 HB VAL 8 HB VAL 8 5.417 2.492 -1.101 53 HG11 VAL 8 HG11 VAL 8 6.271 3.458 -3.823 54 HG12 VAL 8 HG12 VAL 8 7.295 3.255 -2.401 55 HG13 VAL 8 HG13 VAL 8 6.039 4.492 -2.414 56 HG21 VAL 8 HG21 VAL 8 3.740 2.885 -3.573 57 HG22 VAL 8 HG22 VAL 8 3.704 3.910 -2.139 58 HG23 VAL 8 HG23 VAL 8 3.188 2.227 -2.033 59 H TYR 9 HN TYR 9 7.520 1.105 -4.285 60 HA TYR 9 HA TYR 9 9.445 -0.061 -2.439 61 HB2 TYR 9 HB2 TYR 9 9.266 0.322 -5.364 62 HB3 TYR 9 HB1 TYR 9 10.871 0.482 -4.677 63 HD1 TYR 9 HD1 TYR 9 8.039 -1.803 -5.193 64 HD2 TYR 9 HD2 TYR 9 12.061 -1.437 -3.854 65 HE1 TYR 9 HE1 TYR 9 8.243 -4.251 -5.169 66 HE2 TYR 9 HE2 TYR 9 12.278 -3.888 -3.827 67 HH TYR 9 HH TYR 9 10.890 -5.853 -3.687 68 H ARG 10 HN ARG 10 9.933 1.520 -0.978 69 HA ARG 10 HA ARG 10 11.340 3.833 -2.110 70 HB2 ARG 10 HB2 ARG 10 10.474 5.266 -0.488 71 HB3 ARG 10 HB1 ARG 10 9.085 4.313 -0.951 72 HG2 ARG 10 HG2 ARG 10 9.462 2.895 1.043 73 HG3 ARG 10 HG1 ARG 10 10.761 3.982 1.523 74 HD2 ARG 10 HD2 ARG 10 7.867 4.728 1.152 75 HD3 ARG 10 HD1 ARG 10 8.697 4.517 2.693 76 HE ARG 10 HE ARG 10 9.932 6.467 0.981 77 HH11 ARG 10 HH11 ARG 10 7.474 5.919 3.406 78 HH12 ARG 10 HH12 ARG 10 7.408 7.582 3.898 79 HH21 ARG 10 HH21 ARG 10 9.841 8.659 1.610 80 HH22 ARG 10 HH22 ARG 10 8.765 9.142 2.882 81 H ASN 11 HN ASN 11 13.361 4.140 -1.347 82 HA ASN 11 HA ASN 11 15.347 3.679 -0.322 83 HB2 ASN 11 HB2 ASN 11 13.782 2.509 1.982 84 HB3 ASN 11 HB1 ASN 11 15.388 3.216 2.023 85 HD21 ASN 11 HD21 ASN 11 14.651 5.504 0.380 86 HD22 ASN 11 HD22 ASN 11 13.676 6.523 1.376 87 H ALA 12 HN ALA 12 13.890 1.723 -1.965 88 HA ALA 12 HA ALA 12 13.948 -0.415 -2.688 89 HB1 ALA 12 HB1 ALA 12 15.886 -1.783 -2.220 90 HB2 ALA 12 HB2 ALA 12 16.346 -0.721 -0.888 91 HB3 ALA 12 HB3 ALA 12 16.384 -0.121 -2.546 92 H VAL 13 HN VAL 13 12.548 0.380 -0.167 93 HA VAL 13 HA VAL 13 12.192 -2.332 0.932 94 HB VAL 13 HB VAL 13 11.377 0.266 2.235 95 HG11 VAL 13 HG11 VAL 13 10.030 -1.641 2.906 96 HG12 VAL 13 HG12 VAL 13 11.058 -1.105 4.234 97 HG13 VAL 13 HG13 VAL 13 11.488 -2.544 3.312 98 HG21 VAL 13 HG21 VAL 13 13.763 -1.473 2.852 99 HG22 VAL 13 HG22 VAL 13 13.252 -0.054 3.768 100 HG23 VAL 13 HG23 VAL 13 13.813 0.123 2.104 101 H ARG 14 HN ARG 14 10.312 -3.281 0.566 102 HA ARG 14 HA ARG 14 8.293 -1.891 -0.970 103 HB2 ARG 14 HB2 ARG 14 9.222 -4.187 -1.526 104 HB3 ARG 14 HB1 ARG 14 8.347 -4.787 -0.129 105 HG2 ARG 14 HG2 ARG 14 6.261 -3.930 -1.143 106 HG3 ARG 14 HG1 ARG 14 7.204 -3.557 -2.588 107 HD2 ARG 14 HD2 ARG 14 7.839 -5.887 -2.808 108 HD3 ARG 14 HD1 ARG 14 6.971 -6.278 -1.324 109 HE ARG 14 HE ARG 14 5.504 -5.114 -3.559 110 HH11 ARG 14 HH11 ARG 14 6.187 -7.850 -1.499 111 HH12 ARG 14 HH12 ARG 14 4.806 -8.761 -2.020 112 HH21 ARG 14 HH21 ARG 14 3.659 -6.303 -4.249 113 HH22 ARG 14 HH22 ARG 14 3.361 -7.878 -3.577 114 H VAL 15 HN VAL 15 7.047 -0.653 0.362 115 HA VAL 15 HA VAL 15 5.937 -1.947 2.762 116 HB VAL 15 HB VAL 15 5.356 0.362 3.520 117 HG11 VAL 15 HG11 VAL 15 7.334 -0.778 4.362 118 HG12 VAL 15 HG12 VAL 15 7.640 0.952 4.195 119 HG13 VAL 15 HG13 VAL 15 8.276 -0.178 2.998 120 HG21 VAL 15 HG21 VAL 15 7.051 1.184 1.165 121 HG22 VAL 15 HG22 VAL 15 6.541 2.255 2.468 122 HG23 VAL 15 HG23 VAL 15 5.336 1.528 1.404 123 H CYS 16 HN CYS 16 3.877 -2.500 2.779 124 HA CYS 16 HA CYS 16 2.119 -1.498 0.672 125 HB2 CYS 16 HB2 CYS 16 2.260 -3.974 2.248 126 HB3 CYS 16 HB1 CYS 16 0.631 -3.347 2.032 127 H HIS 17 HN HIS 17 0.578 -0.087 1.026 128 HA HIS 17 HA HIS 17 -0.185 0.518 3.817 129 HB2 HIS 17 HB2 HIS 17 -0.809 2.371 1.552 130 HB3 HIS 17 HB1 HIS 17 -0.530 2.746 3.244 131 HD1 HIS 17 HD1 HIS 17 0.995 3.118 0.062 132 HD2 HIS 17 HD2 HIS 17 2.398 2.296 3.883 133 HE1 HIS 17 HE1 HIS 17 3.437 3.663 0.013 134 HE2 HIS 17 HE2 HIS 17 4.194 3.421 2.404 135 H ARG 18 HN ARG 18 -2.334 0.366 4.351 136 HA ARG 18 HA ARG 18 -4.091 -0.756 2.324 137 HB2 ARG 18 HB2 ARG 18 -4.060 -1.769 4.581 138 HB3 ARG 18 HB1 ARG 18 -4.620 -0.245 5.259 139 HG2 ARG 18 HG2 ARG 18 -6.663 -0.427 3.890 140 HG3 ARG 18 HG1 ARG 18 -6.111 -2.003 3.325 141 HD2 ARG 18 HD2 ARG 18 -6.121 -2.827 5.625 142 HD3 ARG 18 HD1 ARG 18 -6.661 -1.250 6.189 143 HE ARG 18 HE ARG 18 -8.265 -2.960 4.397 144 HH11 ARG 18 HH11 ARG 18 -7.996 -0.779 7.122 145 HH12 ARG 18 HH12 ARG 18 -9.693 -0.800 7.468 146 HH21 ARG 18 HH21 ARG 18 -10.505 -2.987 4.858 147 HH22 ARG 18 HH22 ARG 18 -11.113 -2.063 6.195 148 H ARG 19 HN ARG 19 -4.946 0.692 1.004 149 HA ARG 19 HA ARG 19 -6.068 3.144 2.190 150 HB2 ARG 19 HB2 ARG 19 -5.385 4.409 0.366 151 HB3 ARG 19 HB1 ARG 19 -4.035 3.303 0.568 152 HG2 ARG 19 HG2 ARG 19 -4.254 2.872 -1.602 153 HG3 ARG 19 HG1 ARG 19 -5.696 1.949 -1.166 154 HD2 ARG 19 HD2 ARG 19 -6.261 3.496 -2.919 155 HD3 ARG 19 HD1 ARG 19 -7.037 4.021 -1.419 156 HE ARG 19 HE ARG 19 -4.515 5.278 -1.733 157 HH11 ARG 19 HH11 ARG 19 -7.792 5.368 -2.950 158 HH12 ARG 19 HH12 ARG 19 -7.710 7.039 -3.401 159 HH21 ARG 19 HH21 ARG 19 -4.412 7.474 -2.292 160 HH22 ARG 19 HH22 ARG 19 -5.784 8.244 -3.025 161 H CYS 20 HN CYS 20 -7.904 4.030 0.893 162 HA CYS 20 HA CYS 20 -9.488 1.858 -0.298 163 HB2 CYS 20 HB2 CYS 20 -10.619 4.030 1.455 164 HB3 CYS 20 HB1 CYS 20 -11.434 2.580 0.884 165 H ASN 21 HN ASN 21 -11.238 2.652 -1.722 166 HA ASN 21 HA ASN 21 -10.236 4.907 -3.249 167 HB2 ASN 21 HB2 ASN 21 -12.111 4.194 -4.873 168 HB3 ASN 21 HB1 ASN 21 -10.708 3.155 -4.697 169 HD21 ASN 21 HD21 ASN 21 -13.538 3.446 -2.565 170 HD22 ASN 21 HD22 ASN 21 -14.061 1.802 -2.782 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 -16.986 1.399 -1.259 2 H2 ALA 1 HT2 ALA 1 -17.251 2.743 -0.269 3 H3 ALA 1 HT3 ALA 1 -17.115 1.202 0.413 4 HA ALA 1 HA ALA 1 -14.957 2.602 -1.038 5 HB1 ALA 1 HB1 ALA 1 -15.299 2.183 1.927 6 HB2 ALA 1 HB2 ALA 1 -15.488 3.712 1.073 7 HB3 ALA 1 HB3 ALA 1 -13.911 2.927 1.133 8 H PHE 2 HN PHE 2 -13.656 1.172 -1.914 9 HA PHE 2 HA PHE 2 -13.348 -1.463 -0.647 10 HB2 PHE 2 HB2 PHE 2 -13.888 -1.576 -3.007 11 HB3 PHE 2 HB1 PHE 2 -12.586 -0.462 -3.402 12 HD1 PHE 2 HD1 PHE 2 -10.395 -1.231 -3.753 13 HD2 PHE 2 HD2 PHE 2 -13.342 -3.835 -2.145 14 HE1 PHE 2 HE1 PHE 2 -8.883 -3.136 -4.072 15 HE2 PHE 2 HE2 PHE 2 -11.840 -5.742 -2.461 16 HZ PHE 2 HZ PHE 2 -9.564 -5.373 -3.439 17 H CYS 3 HN CYS 3 -11.475 -2.026 0.323 18 HA CYS 3 HA CYS 3 -9.296 -0.052 0.227 19 HB2 CYS 3 HB2 CYS 3 -9.979 -1.945 2.481 20 HB3 CYS 3 HB1 CYS 3 -8.742 -0.691 2.503 21 H TRP 4 HN TRP 4 -7.202 -0.749 -0.004 22 HA TRP 4 HA TRP 4 -6.626 -3.587 -0.117 23 HB2 TRP 4 HB2 TRP 4 -5.816 -3.608 -2.379 24 HB3 TRP 4 HB1 TRP 4 -7.472 -3.028 -2.400 25 HD1 TRP 4 HD1 TRP 4 -3.919 -1.989 -3.214 26 HE1 TRP 4 HE1 TRP 4 -3.963 0.246 -4.482 27 HE3 TRP 4 HE3 TRP 4 -8.841 -0.773 -2.551 28 HZ2 TRP 4 HZ2 TRP 4 -5.821 2.266 -5.096 29 HZ3 TRP 4 HZ3 TRP 4 -9.671 1.333 -3.508 30 HH2 TRP 4 HH2 TRP 4 -8.193 2.823 -4.756 31 H ASN 5 HN ASN 5 -4.220 -3.861 -0.768 32 HA ASN 5 HA ASN 5 -2.748 -1.845 0.777 33 HB2 ASN 5 HB2 ASN 5 -2.235 -4.776 0.303 34 HB3 ASN 5 HB1 ASN 5 -1.021 -3.703 0.990 35 HD21 ASN 5 HD21 ASN 5 -3.987 -5.383 1.512 36 HD22 ASN 5 HD22 ASN 5 -4.109 -5.068 3.209 37 H VAL 6 HN VAL 6 -1.726 -0.445 -0.424 38 HA VAL 6 HA VAL 6 -0.678 -1.172 -3.041 39 HB VAL 6 HB VAL 6 -0.511 1.482 -1.596 40 HG11 VAL 6 HG11 VAL 6 -0.076 0.780 -4.498 41 HG12 VAL 6 HG12 VAL 6 1.189 1.163 -3.331 42 HG13 VAL 6 HG13 VAL 6 0.014 2.396 -3.795 43 HG21 VAL 6 HG21 VAL 6 -2.469 0.573 -3.697 44 HG22 VAL 6 HG22 VAL 6 -2.345 2.204 -3.041 45 HG23 VAL 6 HG23 VAL 6 -2.835 0.869 -1.998 46 H CYS 7 HN CYS 7 1.185 -2.264 -2.983 47 HA CYS 7 HA CYS 7 3.200 -1.674 -0.984 48 HB2 CYS 7 HB2 CYS 7 2.728 -3.826 -2.939 49 HB3 CYS 7 HB1 CYS 7 4.415 -3.448 -2.628 50 H VAL 8 HN VAL 8 4.565 -0.120 -1.231 51 HA VAL 8 HA VAL 8 5.393 0.667 -3.956 52 HB VAL 8 HB VAL 8 5.321 2.351 -1.448 53 HG11 VAL 8 HG11 VAL 8 5.842 4.238 -2.959 54 HG12 VAL 8 HG12 VAL 8 6.094 3.080 -4.266 55 HG13 VAL 8 HG13 VAL 8 7.146 3.054 -2.848 56 HG21 VAL 8 HG21 VAL 8 3.538 3.609 -2.594 57 HG22 VAL 8 HG22 VAL 8 3.084 1.936 -2.273 58 HG23 VAL 8 HG23 VAL 8 3.567 2.423 -3.898 59 H TYR 9 HN TYR 9 7.546 0.681 -4.402 60 HA TYR 9 HA TYR 9 9.354 -0.317 -2.360 61 HB2 TYR 9 HB2 TYR 9 9.260 -0.643 -5.097 62 HB3 TYR 9 HB1 TYR 9 10.548 0.532 -4.901 63 HD1 TYR 9 HD1 TYR 9 9.411 -2.817 -3.739 64 HD2 TYR 9 HD2 TYR 9 12.680 -0.160 -4.295 65 HE1 TYR 9 HE1 TYR 9 10.972 -4.628 -3.166 66 HE2 TYR 9 HE2 TYR 9 14.256 -1.961 -3.728 67 HH TYR 9 HH TYR 9 14.197 -4.115 -2.420 68 H ARG 10 HN ARG 10 9.739 1.231 -0.909 69 HA ARG 10 HA ARG 10 10.714 3.833 -1.899 70 HB2 ARG 10 HB2 ARG 10 8.443 3.885 -0.811 71 HB3 ARG 10 HB1 ARG 10 9.206 3.333 0.672 72 HG2 ARG 10 HG2 ARG 10 10.639 5.371 0.611 73 HG3 ARG 10 HG1 ARG 10 9.679 5.927 -0.767 74 HD2 ARG 10 HD2 ARG 10 7.665 5.867 0.595 75 HD3 ARG 10 HD1 ARG 10 8.590 5.260 1.963 76 HE ARG 10 HE ARG 10 9.582 7.760 0.973 77 HH11 ARG 10 HH11 ARG 10 7.204 6.251 3.040 78 HH12 ARG 10 HH12 ARG 10 6.987 7.648 4.043 79 HH21 ARG 10 HH21 ARG 10 9.297 9.619 2.293 80 HH22 ARG 10 HH22 ARG 10 8.181 9.567 3.619 81 H ASN 11 HN ASN 11 12.762 4.183 -1.390 82 HA ASN 11 HA ASN 11 14.819 4.019 -0.442 83 HB2 ASN 11 HB2 ASN 11 13.266 3.253 2.045 84 HB3 ASN 11 HB1 ASN 11 14.971 3.688 2.002 85 HD21 ASN 11 HD21 ASN 11 12.616 4.890 3.340 86 HD22 ASN 11 HD22 ASN 11 12.633 6.554 2.868 87 H ALA 12 HN ALA 12 13.700 1.867 -1.845 88 HA ALA 12 HA ALA 12 14.080 -0.277 -2.427 89 HB1 ALA 12 HB1 ALA 12 16.125 -1.364 -1.676 90 HB2 ALA 12 HB2 ALA 12 16.326 -0.148 -0.414 91 HB3 ALA 12 HB3 ALA 12 16.435 0.316 -2.110 92 H VAL 13 HN VAL 13 12.329 0.414 -0.115 93 HA VAL 13 HA VAL 13 12.104 -2.355 0.873 94 HB VAL 13 HB VAL 13 11.106 0.082 2.350 95 HG11 VAL 13 HG11 VAL 13 9.868 -1.958 2.809 96 HG12 VAL 13 HG12 VAL 13 10.813 -1.473 4.218 97 HG13 VAL 13 HG13 VAL 13 11.368 -2.797 3.196 98 HG21 VAL 13 HG21 VAL 13 13.584 -1.542 2.908 99 HG22 VAL 13 HG22 VAL 13 12.939 -0.257 3.932 100 HG23 VAL 13 HG23 VAL 13 13.543 0.119 2.318 101 H ARG 14 HN ARG 14 10.255 -3.328 0.313 102 HA ARG 14 HA ARG 14 8.261 -1.785 -1.111 103 HB2 ARG 14 HB2 ARG 14 9.088 -3.956 -2.005 104 HB3 ARG 14 HB1 ARG 14 8.388 -4.761 -0.606 105 HG2 ARG 14 HG2 ARG 14 6.189 -3.951 -1.256 106 HG3 ARG 14 HG1 ARG 14 6.887 -3.205 -2.692 107 HD2 ARG 14 HD2 ARG 14 5.908 -5.328 -3.285 108 HD3 ARG 14 HD1 ARG 14 7.663 -5.434 -3.418 109 HE ARG 14 HE ARG 14 7.124 -6.314 -0.893 110 HH11 ARG 14 HH11 ARG 14 6.090 -7.244 -4.105 111 HH12 ARG 14 HH12 ARG 14 5.794 -8.897 -3.664 112 HH21 ARG 14 HH21 ARG 14 6.744 -8.476 -0.310 113 HH22 ARG 14 HH22 ARG 14 6.156 -9.596 -1.497 114 H VAL 15 HN VAL 15 7.036 -0.687 0.277 115 HA VAL 15 HA VAL 15 5.950 -2.087 2.622 116 HB VAL 15 HB VAL 15 5.321 0.292 3.341 117 HG11 VAL 15 HG11 VAL 15 8.226 -0.488 3.108 118 HG12 VAL 15 HG12 VAL 15 7.113 -0.981 4.384 119 HG13 VAL 15 HG13 VAL 15 7.576 0.713 4.224 120 HG21 VAL 15 HG21 VAL 15 5.643 1.343 1.143 121 HG22 VAL 15 HG22 VAL 15 7.366 0.972 1.228 122 HG23 VAL 15 HG23 VAL 15 6.647 2.094 2.385 123 H CYS 16 HN CYS 16 3.918 -2.733 2.557 124 HA CYS 16 HA CYS 16 2.103 -1.664 0.559 125 HB2 CYS 16 HB2 CYS 16 2.239 -4.098 2.187 126 HB3 CYS 16 HB1 CYS 16 0.620 -3.430 2.028 127 H HIS 17 HN HIS 17 0.693 -0.141 0.916 128 HA HIS 17 HA HIS 17 0.009 0.544 3.705 129 HB2 HIS 17 HB2 HIS 17 -0.556 2.409 1.439 130 HB3 HIS 17 HB1 HIS 17 -0.200 2.782 3.117 131 HD1 HIS 17 HD1 HIS 17 1.253 2.957 -0.129 132 HD2 HIS 17 HD2 HIS 17 2.707 2.212 3.691 133 HE1 HIS 17 HE1 HIS 17 3.724 3.352 -0.263 134 HE2 HIS 17 HE2 HIS 17 4.555 3.071 2.101 135 H ARG 18 HN ARG 18 -2.129 0.508 4.286 136 HA ARG 18 HA ARG 18 -3.931 -0.644 2.317 137 HB2 ARG 18 HB2 ARG 18 -3.799 -1.613 4.614 138 HB3 ARG 18 HB1 ARG 18 -4.445 -0.103 5.247 139 HG2 ARG 18 HG2 ARG 18 -6.457 -0.435 3.839 140 HG3 ARG 18 HG1 ARG 18 -5.820 -2.013 3.374 141 HD2 ARG 18 HD2 ARG 18 -5.838 -2.708 5.716 142 HD3 ARG 18 HD1 ARG 18 -6.463 -1.127 6.183 143 HE ARG 18 HE ARG 18 -7.920 -3.229 4.748 144 HH11 ARG 18 HH11 ARG 18 -7.903 -0.044 6.198 145 HH12 ARG 18 HH12 ARG 18 -9.631 0.062 6.291 146 HH21 ARG 18 HH21 ARG 18 -10.197 -3.099 4.881 147 HH22 ARG 18 HH22 ARG 18 -10.937 -1.682 5.553 148 H ARG 19 HN ARG 19 -4.791 0.806 1.008 149 HA ARG 19 HA ARG 19 -5.852 3.295 2.176 150 HB2 ARG 19 HB2 ARG 19 -5.305 4.444 0.240 151 HB3 ARG 19 HB1 ARG 19 -3.974 3.303 0.348 152 HG2 ARG 19 HG2 ARG 19 -4.443 2.789 -1.764 153 HG3 ARG 19 HG1 ARG 19 -5.850 1.931 -1.129 154 HD2 ARG 19 HD2 ARG 19 -6.615 3.405 -2.849 155 HD3 ARG 19 HD1 ARG 19 -7.131 4.072 -1.297 156 HE ARG 19 HE ARG 19 -4.617 5.061 -2.382 157 HH11 ARG 19 HH11 ARG 19 -8.049 5.598 -1.878 158 HH12 ARG 19 HH12 ARG 19 -7.956 7.296 -2.219 159 HH21 ARG 19 HH21 ARG 19 -4.503 7.298 -2.827 160 HH22 ARG 19 HH22 ARG 19 -5.945 8.261 -2.744 161 H CYS 20 HN CYS 20 -7.823 4.117 0.970 162 HA CYS 20 HA CYS 20 -9.489 1.864 0.087 163 HB2 CYS 20 HB2 CYS 20 -10.300 4.025 2.027 164 HB3 CYS 20 HB1 CYS 20 -11.359 2.763 1.406 165 H ASN 21 HN ASN 21 -11.161 2.354 -1.329 166 HA ASN 21 HA ASN 21 -11.421 5.135 -2.221 167 HB2 ASN 21 HB2 ASN 21 -9.999 4.080 -3.889 168 HB3 ASN 21 HB1 ASN 21 -11.115 2.725 -4.028 169 HD21 ASN 21 HD21 ASN 21 -12.982 2.950 -5.203 170 HD22 ASN 21 HD22 ASN 21 -13.290 4.310 -6.227 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 -16.087 1.423 1.941 2 H2 ALA 1 HT2 ALA 1 -16.896 1.251 0.468 3 H3 ALA 1 HT3 ALA 1 -16.751 2.777 1.177 4 HA ALA 1 HA ALA 1 -15.211 2.538 -0.655 5 HB1 ALA 1 HB1 ALA 1 -13.195 3.213 0.520 6 HB2 ALA 1 HB2 ALA 1 -13.838 2.571 2.029 7 HB3 ALA 1 HB3 ALA 1 -14.611 3.955 1.261 8 H PHE 2 HN PHE 2 -13.590 1.398 -1.698 9 HA PHE 2 HA PHE 2 -13.230 -1.357 -0.755 10 HB2 PHE 2 HB2 PHE 2 -13.944 -1.094 -3.088 11 HB3 PHE 2 HB1 PHE 2 -12.536 -0.090 -3.421 12 HD1 PHE 2 HD1 PHE 2 -10.502 -1.048 -4.037 13 HD2 PHE 2 HD2 PHE 2 -13.590 -3.482 -2.428 14 HE1 PHE 2 HE1 PHE 2 -9.224 -3.057 -4.639 15 HE2 PHE 2 HE2 PHE 2 -12.330 -5.494 -3.029 16 HZ PHE 2 HZ PHE 2 -10.099 -5.274 -4.127 17 H CYS 3 HN CYS 3 -11.425 -1.909 0.275 18 HA CYS 3 HA CYS 3 -9.153 -0.049 0.123 19 HB2 CYS 3 HB2 CYS 3 -9.840 -1.937 2.380 20 HB3 CYS 3 HB1 CYS 3 -8.595 -0.693 2.386 21 H TRP 4 HN TRP 4 -7.080 -0.830 -0.138 22 HA TRP 4 HA TRP 4 -6.624 -3.684 -0.267 23 HB2 TRP 4 HB2 TRP 4 -5.860 -3.766 -2.538 24 HB3 TRP 4 HB1 TRP 4 -7.478 -3.083 -2.542 25 HD1 TRP 4 HD1 TRP 4 -3.821 -2.129 -3.194 26 HE1 TRP 4 HE1 TRP 4 -3.777 0.038 -4.579 27 HE3 TRP 4 HE3 TRP 4 -8.791 -0.949 -3.019 28 HZ2 TRP 4 HZ2 TRP 4 -5.592 1.989 -5.460 29 HZ3 TRP 4 HZ3 TRP 4 -9.556 1.093 -4.162 30 HH2 TRP 4 HH2 TRP 4 -7.987 2.533 -5.358 31 H ASN 5 HN ASN 5 -4.276 -4.107 -0.877 32 HA ASN 5 HA ASN 5 -2.679 -2.291 0.750 33 HB2 ASN 5 HB2 ASN 5 -2.335 -5.133 -0.160 34 HB3 ASN 5 HB1 ASN 5 -0.965 -4.219 0.463 35 HD21 ASN 5 HD21 ASN 5 -0.779 -5.635 2.207 36 HD22 ASN 5 HD22 ASN 5 -1.876 -5.582 3.542 37 H VAL 6 HN VAL 6 -1.748 -0.700 -0.284 38 HA VAL 6 HA VAL 6 -0.724 -1.056 -2.994 39 HB VAL 6 HB VAL 6 -0.684 1.408 -1.247 40 HG11 VAL 6 HG11 VAL 6 -0.273 2.603 -3.355 41 HG12 VAL 6 HG12 VAL 6 -0.189 1.054 -4.197 42 HG13 VAL 6 HG13 VAL 6 1.014 1.458 -2.974 43 HG21 VAL 6 HG21 VAL 6 -2.970 0.747 -1.694 44 HG22 VAL 6 HG22 VAL 6 -2.620 0.618 -3.415 45 HG23 VAL 6 HG23 VAL 6 -2.564 2.188 -2.622 46 H CYS 7 HN CYS 7 1.204 -2.025 -3.088 47 HA CYS 7 HA CYS 7 3.166 -1.583 -0.990 48 HB2 CYS 7 HB2 CYS 7 2.922 -3.502 -3.256 49 HB3 CYS 7 HB1 CYS 7 4.515 -3.182 -2.587 50 H VAL 8 HN VAL 8 4.369 0.114 -1.093 51 HA VAL 8 HA VAL 8 5.280 1.117 -3.708 52 HB VAL 8 HB VAL 8 5.224 2.461 -1.006 53 HG11 VAL 8 HG11 VAL 8 6.203 3.559 -3.634 54 HG12 VAL 8 HG12 VAL 8 7.190 3.195 -2.217 55 HG13 VAL 8 HG13 VAL 8 5.997 4.489 -2.148 56 HG21 VAL 8 HG21 VAL 8 3.033 2.320 -2.032 57 HG22 VAL 8 HG22 VAL 8 3.669 3.003 -3.527 58 HG23 VAL 8 HG23 VAL 8 3.607 3.985 -2.066 59 H TYR 9 HN TYR 9 7.386 1.048 -4.211 60 HA TYR 9 HA TYR 9 9.218 -0.104 -2.271 61 HB2 TYR 9 HB2 TYR 9 9.128 0.069 -5.216 62 HB3 TYR 9 HB1 TYR 9 10.725 0.224 -4.498 63 HD1 TYR 9 HD1 TYR 9 7.848 -1.993 -4.982 64 HD2 TYR 9 HD2 TYR 9 11.770 -1.648 -3.369 65 HE1 TYR 9 HE1 TYR 9 7.966 -4.436 -4.771 66 HE2 TYR 9 HE2 TYR 9 11.899 -4.094 -3.149 67 HH TYR 9 HH TYR 9 10.381 -6.018 -2.974 68 H ARG 10 HN ARG 10 9.810 1.378 -0.901 69 HA ARG 10 HA ARG 10 10.808 3.952 -1.929 70 HB2 ARG 10 HB2 ARG 10 8.663 4.092 -0.678 71 HB3 ARG 10 HB1 ARG 10 9.452 3.367 0.710 72 HG2 ARG 10 HG2 ARG 10 9.199 5.768 0.930 73 HG3 ARG 10 HG1 ARG 10 10.896 5.290 0.941 74 HD2 ARG 10 HD2 ARG 10 11.158 6.019 -1.337 75 HD3 ARG 10 HD1 ARG 10 9.427 6.328 -1.480 76 HE ARG 10 HE ARG 10 10.316 7.876 0.630 77 HH11 ARG 10 HH11 ARG 10 11.000 7.620 -2.791 78 HH12 ARG 10 HH12 ARG 10 11.371 9.304 -2.972 79 HH21 ARG 10 HH21 ARG 10 10.793 10.088 0.401 80 HH22 ARG 10 HH22 ARG 10 11.242 10.719 -1.153 81 H ASN 11 HN ASN 11 12.930 4.064 -1.717 82 HA ASN 11 HA ASN 11 15.069 3.653 -1.083 83 HB2 ASN 11 HB2 ASN 11 13.790 3.325 1.643 84 HB3 ASN 11 HB1 ASN 11 15.527 3.424 1.361 85 HD21 ASN 11 HD21 ASN 11 13.734 5.182 2.881 86 HD22 ASN 11 HD22 ASN 11 13.939 6.758 2.198 87 H ALA 12 HN ALA 12 13.622 1.595 -2.201 88 HA ALA 12 HA ALA 12 13.810 -0.584 -2.751 89 HB1 ALA 12 HB1 ALA 12 16.003 -0.760 -0.696 90 HB2 ALA 12 HB2 ALA 12 16.219 -0.310 -2.388 91 HB3 ALA 12 HB3 ALA 12 15.652 -1.928 -1.970 92 H VAL 13 HN VAL 13 12.717 0.490 0.134 93 HA VAL 13 HA VAL 13 12.107 -2.131 1.248 94 HB VAL 13 HB VAL 13 11.189 0.574 2.218 95 HG11 VAL 13 HG11 VAL 13 10.732 -0.557 4.322 96 HG12 VAL 13 HG12 VAL 13 11.271 -2.085 3.626 97 HG13 VAL 13 HG13 VAL 13 9.826 -1.297 3.001 98 HG21 VAL 13 HG21 VAL 13 13.562 -1.065 3.097 99 HG22 VAL 13 HG22 VAL 13 12.976 0.390 3.903 100 HG23 VAL 13 HG23 VAL 13 13.612 0.487 2.260 101 H ARG 14 HN ARG 14 10.288 -3.176 0.845 102 HA ARG 14 HA ARG 14 8.264 -1.942 -0.814 103 HB2 ARG 14 HB2 ARG 14 9.165 -4.214 -1.297 104 HB3 ARG 14 HB1 ARG 14 8.470 -4.775 0.218 105 HG2 ARG 14 HG2 ARG 14 6.241 -4.203 -0.598 106 HG3 ARG 14 HG1 ARG 14 6.963 -3.650 -2.109 107 HD2 ARG 14 HD2 ARG 14 6.071 -5.905 -2.350 108 HD3 ARG 14 HD1 ARG 14 7.824 -5.895 -2.531 109 HE ARG 14 HE ARG 14 6.370 -6.818 -0.137 110 HH11 ARG 14 HH11 ARG 14 9.213 -6.852 -2.200 111 HH12 ARG 14 HH12 ARG 14 10.003 -8.100 -1.291 112 HH21 ARG 14 HH21 ARG 14 7.411 -8.460 1.050 113 HH22 ARG 14 HH22 ARG 14 8.980 -9.015 0.560 114 H VAL 15 HN VAL 15 6.971 -0.659 0.389 115 HA VAL 15 HA VAL 15 5.855 -1.808 2.858 116 HB VAL 15 HB VAL 15 5.241 0.587 3.427 117 HG11 VAL 15 HG11 VAL 15 7.482 1.112 4.256 118 HG12 VAL 15 HG12 VAL 15 8.165 -0.106 3.183 119 HG13 VAL 15 HG13 VAL 15 7.091 -0.589 4.494 120 HG21 VAL 15 HG21 VAL 15 7.176 1.159 1.184 121 HG22 VAL 15 HG22 VAL 15 6.591 2.345 2.350 122 HG23 VAL 15 HG23 VAL 15 5.464 1.583 1.227 123 H CYS 16 HN CYS 16 3.912 -2.633 2.580 124 HA CYS 16 HA CYS 16 2.118 -1.477 0.600 125 HB2 CYS 16 HB2 CYS 16 2.410 -4.081 1.814 126 HB3 CYS 16 HB1 CYS 16 0.757 -3.496 1.975 127 H HIS 17 HN HIS 17 0.573 -0.130 1.056 128 HA HIS 17 HA HIS 17 -0.143 0.325 3.886 129 HB2 HIS 17 HB2 HIS 17 -0.882 2.277 1.739 130 HB3 HIS 17 HB1 HIS 17 -0.515 2.573 3.431 131 HD1 HIS 17 HD1 HIS 17 0.753 3.328 0.282 132 HD2 HIS 17 HD2 HIS 17 2.513 1.962 3.788 133 HE1 HIS 17 HE1 HIS 17 3.184 3.919 0.090 134 HE2 HIS 17 HE2 HIS 17 4.177 3.288 2.315 135 H ARG 18 HN ARG 18 -2.359 0.326 4.425 136 HA ARG 18 HA ARG 18 -4.079 -0.860 2.403 137 HB2 ARG 18 HB2 ARG 18 -4.105 -1.779 4.698 138 HB3 ARG 18 HB1 ARG 18 -4.666 -0.224 5.302 139 HG2 ARG 18 HG2 ARG 18 -6.731 -0.427 4.142 140 HG3 ARG 18 HG1 ARG 18 -6.164 -1.848 3.264 141 HD2 ARG 18 HD2 ARG 18 -6.022 -3.077 5.382 142 HD3 ARG 18 HD1 ARG 18 -6.624 -1.659 6.237 143 HE ARG 18 HE ARG 18 -8.725 -1.937 5.093 144 HH11 ARG 18 HH11 ARG 18 -6.509 -4.640 4.885 145 HH12 ARG 18 HH12 ARG 18 -7.745 -5.783 4.478 146 HH21 ARG 18 HH21 ARG 18 -10.354 -3.443 4.553 147 HH22 ARG 18 HH22 ARG 18 -9.930 -5.106 4.301 148 H ARG 19 HN ARG 19 -4.646 0.641 0.978 149 HA ARG 19 HA ARG 19 -5.632 3.230 1.946 150 HB2 ARG 19 HB2 ARG 19 -5.063 4.138 -0.098 151 HB3 ARG 19 HB1 ARG 19 -3.860 2.863 0.014 152 HG2 ARG 19 HG2 ARG 19 -4.548 2.329 -2.040 153 HG3 ARG 19 HG1 ARG 19 -5.909 1.560 -1.221 154 HD2 ARG 19 HD2 ARG 19 -6.824 2.938 -2.923 155 HD3 ARG 19 HD1 ARG 19 -7.114 3.764 -1.388 156 HE ARG 19 HE ARG 19 -4.683 4.576 -2.696 157 HH11 ARG 19 HH11 ARG 19 -8.127 5.151 -2.442 158 HH12 ARG 19 HH12 ARG 19 -8.034 6.750 -3.102 159 HH21 ARG 19 HH21 ARG 19 -4.559 6.667 -3.573 160 HH22 ARG 19 HH22 ARG 19 -6.001 7.614 -3.750 161 H CYS 20 HN CYS 20 -7.615 4.064 0.884 162 HA CYS 20 HA CYS 20 -9.437 1.899 0.110 163 HB2 CYS 20 HB2 CYS 20 -10.027 4.062 2.130 164 HB3 CYS 20 HB1 CYS 20 -11.196 2.892 1.529 165 H ASN 21 HN ASN 21 -10.816 2.357 -1.482 166 HA ASN 21 HA ASN 21 -10.855 5.118 -2.510 167 HB2 ASN 21 HB2 ASN 21 -9.915 3.389 -4.051 168 HB3 ASN 21 HB1 ASN 21 -11.466 2.556 -4.004 169 HD21 ASN 21 HD21 ASN 21 -11.943 2.801 -6.140 170 HD22 ASN 21 HD22 ASN 21 -12.285 4.331 -6.874 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 -17.316 2.420 -0.101 2 H2 ALA 1 HT2 ALA 1 -16.909 0.856 0.397 3 H3 ALA 1 HT3 ALA 1 -17.093 1.197 -1.249 4 HA ALA 1 HA ALA 1 -15.190 2.608 -1.251 5 HB1 ALA 1 HB1 ALA 1 -14.973 1.931 1.682 6 HB2 ALA 1 HB2 ALA 1 -15.445 3.494 1.014 7 HB3 ALA 1 HB3 ALA 1 -13.814 2.876 0.749 8 H PHE 2 HN PHE 2 -13.510 1.599 -2.168 9 HA PHE 2 HA PHE 2 -13.183 -1.264 -1.589 10 HB2 PHE 2 HB2 PHE 2 -13.626 -0.758 -3.932 11 HB3 PHE 2 HB1 PHE 2 -12.285 0.381 -3.969 12 HD1 PHE 2 HD1 PHE 2 -10.164 -0.324 -4.574 13 HD2 PHE 2 HD2 PHE 2 -13.089 -3.188 -3.436 14 HE1 PHE 2 HE1 PHE 2 -8.658 -2.134 -5.271 15 HE2 PHE 2 HE2 PHE 2 -11.600 -5.002 -4.136 16 HZ PHE 2 HZ PHE 2 -9.340 -4.458 -5.059 17 H CYS 3 HN CYS 3 -11.566 -1.821 -0.303 18 HA CYS 3 HA CYS 3 -9.304 0.030 -0.014 19 HB2 CYS 3 HB2 CYS 3 -9.965 -2.282 1.806 20 HB3 CYS 3 HB1 CYS 3 -8.917 -0.911 2.141 21 H TRP 4 HN TRP 4 -7.189 -0.671 -0.306 22 HA TRP 4 HA TRP 4 -6.701 -3.470 -0.852 23 HB2 TRP 4 HB2 TRP 4 -5.798 -3.212 -3.046 24 HB3 TRP 4 HB1 TRP 4 -7.408 -2.514 -3.051 25 HD1 TRP 4 HD1 TRP 4 -3.725 -1.572 -3.421 26 HE1 TRP 4 HE1 TRP 4 -3.579 0.793 -4.418 27 HE3 TRP 4 HE3 TRP 4 -8.659 -0.254 -3.136 28 HZ2 TRP 4 HZ2 TRP 4 -5.304 2.934 -4.990 29 HZ3 TRP 4 HZ3 TRP 4 -9.326 1.978 -3.932 30 HH2 TRP 4 HH2 TRP 4 -7.684 3.538 -4.840 31 H ASN 5 HN ASN 5 -4.371 -3.896 -1.215 32 HA ASN 5 HA ASN 5 -2.867 -2.289 0.693 33 HB2 ASN 5 HB2 ASN 5 -2.343 -5.001 -0.535 34 HB3 ASN 5 HB1 ASN 5 -1.225 -4.194 0.560 35 HD21 ASN 5 HD21 ASN 5 -1.701 -4.099 2.737 36 HD22 ASN 5 HD22 ASN 5 -2.999 -4.990 3.451 37 H VAL 6 HN VAL 6 -1.851 -0.625 -0.149 38 HA VAL 6 HA VAL 6 -0.665 -0.775 -2.800 39 HB VAL 6 HB VAL 6 -0.533 1.514 -0.833 40 HG11 VAL 6 HG11 VAL 6 0.048 2.851 -2.764 41 HG12 VAL 6 HG12 VAL 6 -0.128 1.448 -3.817 42 HG13 VAL 6 HG13 VAL 6 1.164 1.491 -2.620 43 HG21 VAL 6 HG21 VAL 6 -2.502 1.047 -3.065 44 HG22 VAL 6 HG22 VAL 6 -2.352 2.531 -2.131 45 HG23 VAL 6 HG23 VAL 6 -2.860 1.040 -1.339 46 H CYS 7 HN CYS 7 1.133 -1.974 -2.791 47 HA CYS 7 HA CYS 7 3.045 -1.667 -0.607 48 HB2 CYS 7 HB2 CYS 7 2.953 -3.662 -2.872 49 HB3 CYS 7 HB1 CYS 7 4.178 -3.625 -1.607 50 H VAL 8 HN VAL 8 4.294 0.006 -0.857 51 HA VAL 8 HA VAL 8 5.137 0.795 -3.557 52 HB VAL 8 HB VAL 8 5.392 2.345 -0.980 53 HG11 VAL 8 HG11 VAL 8 5.700 3.220 -3.846 54 HG12 VAL 8 HG12 VAL 8 6.996 3.038 -2.663 55 HG13 VAL 8 HG13 VAL 8 5.764 4.278 -2.436 56 HG21 VAL 8 HG21 VAL 8 3.045 1.974 -1.506 57 HG22 VAL 8 HG22 VAL 8 3.303 2.591 -3.140 58 HG23 VAL 8 HG23 VAL 8 3.480 3.665 -1.751 59 H TYR 9 HN TYR 9 7.192 0.614 -4.180 60 HA TYR 9 HA TYR 9 9.164 -0.359 -2.282 61 HB2 TYR 9 HB2 TYR 9 8.766 -0.831 -4.977 62 HB3 TYR 9 HB1 TYR 9 10.116 0.296 -4.975 63 HD1 TYR 9 HD1 TYR 9 9.007 -2.753 -3.131 64 HD2 TYR 9 HD2 TYR 9 12.234 -0.625 -4.905 65 HE1 TYR 9 HE1 TYR 9 10.514 -4.616 -2.594 66 HE2 TYR 9 HE2 TYR 9 13.754 -2.483 -4.375 67 HH TYR 9 HH TYR 9 13.918 -4.351 -2.844 68 H ARG 10 HN ARG 10 9.762 1.234 -0.980 69 HA ARG 10 HA ARG 10 10.542 3.800 -2.196 70 HB2 ARG 10 HB2 ARG 10 8.469 3.856 -0.784 71 HB3 ARG 10 HB1 ARG 10 9.450 3.356 0.586 72 HG2 ARG 10 HG2 ARG 10 10.734 5.393 0.464 73 HG3 ARG 10 HG1 ARG 10 9.868 5.878 -0.998 74 HD2 ARG 10 HD2 ARG 10 8.591 5.415 1.692 75 HD3 ARG 10 HD1 ARG 10 9.024 6.995 1.039 76 HE ARG 10 HE ARG 10 7.464 5.994 -0.899 77 HH11 ARG 10 HH11 ARG 10 7.014 6.218 2.566 78 HH12 ARG 10 HH12 ARG 10 5.289 6.373 2.457 79 HH21 ARG 10 HH21 ARG 10 5.189 6.195 -1.041 80 HH22 ARG 10 HH22 ARG 10 4.258 6.366 0.414 81 H ASN 11 HN ASN 11 12.652 3.984 -2.187 82 HA ASN 11 HA ASN 11 14.840 3.862 -1.612 83 HB2 ASN 11 HB2 ASN 11 13.790 3.521 1.209 84 HB3 ASN 11 HB1 ASN 11 15.453 3.899 0.774 85 HD21 ASN 11 HD21 ASN 11 13.601 5.400 2.419 86 HD22 ASN 11 HD22 ASN 11 13.445 6.956 1.680 87 H ALA 12 HN ALA 12 13.481 1.608 -2.498 88 HA ALA 12 HA ALA 12 13.838 -0.579 -2.921 89 HB1 ALA 12 HB1 ALA 12 15.919 -1.637 -2.248 90 HB2 ALA 12 HB2 ALA 12 16.244 -0.320 -1.120 91 HB3 ALA 12 HB3 ALA 12 16.218 -0.009 -2.856 92 H VAL 13 HN VAL 13 12.548 0.502 -0.304 93 HA VAL 13 HA VAL 13 12.334 -2.140 0.983 94 HB VAL 13 HB VAL 13 11.546 0.518 2.181 95 HG11 VAL 13 HG11 VAL 13 11.838 -2.219 3.409 96 HG12 VAL 13 HG12 VAL 13 10.323 -1.374 3.091 97 HG13 VAL 13 HG13 VAL 13 11.455 -0.738 4.286 98 HG21 VAL 13 HG21 VAL 13 14.041 -1.106 2.660 99 HG22 VAL 13 HG22 VAL 13 13.554 0.320 3.577 100 HG23 VAL 13 HG23 VAL 13 13.956 0.467 1.865 101 H ARG 14 HN ARG 14 10.395 -3.136 0.946 102 HA ARG 14 HA ARG 14 8.280 -1.869 -0.582 103 HB2 ARG 14 HB2 ARG 14 8.864 -4.126 -1.193 104 HB3 ARG 14 HB1 ARG 14 8.608 -4.680 0.457 105 HG2 ARG 14 HG2 ARG 14 6.265 -4.264 0.299 106 HG3 ARG 14 HG1 ARG 14 6.455 -3.510 -1.283 107 HD2 ARG 14 HD2 ARG 14 7.178 -6.362 -0.673 108 HD3 ARG 14 HD1 ARG 14 5.624 -5.863 -1.334 109 HE ARG 14 HE ARG 14 7.392 -4.787 -3.066 110 HH11 ARG 14 HH11 ARG 14 6.940 -8.010 -1.792 111 HH12 ARG 14 HH12 ARG 14 7.576 -8.798 -3.199 112 HH21 ARG 14 HH21 ARG 14 8.223 -5.827 -4.937 113 HH22 ARG 14 HH22 ARG 14 8.301 -7.560 -4.988 114 H VAL 15 HN VAL 15 7.000 -0.565 0.535 115 HA VAL 15 HA VAL 15 6.090 -1.461 3.186 116 HB VAL 15 HB VAL 15 5.423 0.932 3.557 117 HG11 VAL 15 HG11 VAL 15 8.347 0.390 3.044 118 HG12 VAL 15 HG12 VAL 15 7.459 0.013 4.520 119 HG13 VAL 15 HG13 VAL 15 7.705 1.693 4.045 120 HG21 VAL 15 HG21 VAL 15 6.561 2.637 2.151 121 HG22 VAL 15 HG22 VAL 15 5.298 1.743 1.304 122 HG23 VAL 15 HG23 VAL 15 6.997 1.355 1.019 123 H CYS 16 HN CYS 16 4.179 -2.377 3.149 124 HA CYS 16 HA CYS 16 2.268 -1.669 1.064 125 HB2 CYS 16 HB2 CYS 16 2.194 -3.898 3.104 126 HB3 CYS 16 HB1 CYS 16 1.022 -3.654 1.811 127 H HIS 17 HN HIS 17 0.740 -0.258 1.415 128 HA HIS 17 HA HIS 17 -0.162 0.213 4.192 129 HB2 HIS 17 HB2 HIS 17 -0.783 2.173 2.027 130 HB3 HIS 17 HB1 HIS 17 -0.497 2.456 3.734 131 HD1 HIS 17 HD1 HIS 17 0.863 3.438 0.754 132 HD2 HIS 17 HD2 HIS 17 2.567 1.694 4.113 133 HE1 HIS 17 HE1 HIS 17 3.292 4.050 0.672 134 HE2 HIS 17 HE2 HIS 17 4.238 3.203 2.850 135 H ARG 18 HN ARG 18 -2.362 0.015 4.606 136 HA ARG 18 HA ARG 18 -3.986 -0.952 2.384 137 HB2 ARG 18 HB2 ARG 18 -4.194 -2.239 4.419 138 HB3 ARG 18 HB1 ARG 18 -4.568 -0.791 5.346 139 HG2 ARG 18 HG2 ARG 18 -6.667 -0.537 4.183 140 HG3 ARG 18 HG1 ARG 18 -6.280 -1.895 3.126 141 HD2 ARG 18 HD2 ARG 18 -6.382 -3.428 4.952 142 HD3 ARG 18 HD1 ARG 18 -6.530 -2.116 6.119 143 HE ARG 18 HE ARG 18 -8.726 -1.644 5.073 144 HH11 ARG 18 HH11 ARG 18 -7.316 -4.832 4.721 145 HH12 ARG 18 HH12 ARG 18 -8.849 -5.622 4.528 146 HH21 ARG 18 HH21 ARG 18 -10.739 -2.678 4.826 147 HH22 ARG 18 HH22 ARG 18 -10.800 -4.395 4.579 148 H ARG 19 HN ARG 19 -4.549 0.713 1.149 149 HA ARG 19 HA ARG 19 -5.727 3.073 2.436 150 HB2 ARG 19 HB2 ARG 19 -5.072 4.332 0.624 151 HB3 ARG 19 HB1 ARG 19 -3.815 3.105 0.601 152 HG2 ARG 19 HG2 ARG 19 -4.354 2.978 -1.575 153 HG3 ARG 19 HG1 ARG 19 -5.654 1.933 -0.992 154 HD2 ARG 19 HD2 ARG 19 -6.588 3.565 -2.488 155 HD3 ARG 19 HD1 ARG 19 -7.121 3.931 -0.843 156 HE ARG 19 HE ARG 19 -4.740 5.344 -1.566 157 HH11 ARG 19 HH11 ARG 19 -8.230 5.392 -1.819 158 HH12 ARG 19 HH12 ARG 19 -8.315 7.103 -2.081 159 HH21 ARG 19 HH21 ARG 19 -4.851 7.597 -1.915 160 HH22 ARG 19 HH22 ARG 19 -6.393 8.359 -2.135 161 H CYS 20 HN CYS 20 -7.711 3.952 1.339 162 HA CYS 20 HA CYS 20 -9.237 1.898 -0.057 163 HB2 CYS 20 HB2 CYS 20 -9.559 1.915 2.539 164 HB3 CYS 20 HB1 CYS 20 -10.555 3.325 2.210 165 H ASN 21 HN ASN 21 -11.023 2.688 -1.206 166 HA ASN 21 HA ASN 21 -11.220 5.599 -1.453 167 HB2 ASN 21 HB2 ASN 21 -9.667 4.858 -3.212 168 HB3 ASN 21 HB1 ASN 21 -10.861 3.696 -3.784 169 HD21 ASN 21 HD21 ASN 21 -12.607 4.406 -4.969 170 HD22 ASN 21 HD22 ASN 21 -12.724 6.016 -5.593 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 -16.608 1.488 0.617 2 H2 ALA 1 HT2 ALA 1 -17.080 1.184 -0.976 3 H3 ALA 1 HT3 ALA 1 -17.094 2.762 -0.379 4 HA ALA 1 HA ALA 1 -15.206 2.379 -1.830 5 HB1 ALA 1 HB1 ALA 1 -15.037 4.022 -0.027 6 HB2 ALA 1 HB2 ALA 1 -13.489 3.231 -0.317 7 HB3 ALA 1 HB3 ALA 1 -14.468 2.765 1.072 8 H PHE 2 HN PHE 2 -13.515 1.117 -2.469 9 HA PHE 2 HA PHE 2 -13.274 -1.470 -1.128 10 HB2 PHE 2 HB2 PHE 2 -13.601 -1.599 -3.524 11 HB3 PHE 2 HB1 PHE 2 -12.255 -0.500 -3.807 12 HD1 PHE 2 HD1 PHE 2 -10.218 -1.359 -4.327 13 HD2 PHE 2 HD2 PHE 2 -12.994 -3.786 -2.212 14 HE1 PHE 2 HE1 PHE 2 -8.661 -3.241 -4.468 15 HE2 PHE 2 HE2 PHE 2 -11.446 -5.687 -2.355 16 HZ PHE 2 HZ PHE 2 -9.270 -5.424 -3.483 17 H CYS 3 HN CYS 3 -11.513 -2.063 -0.010 18 HA CYS 3 HA CYS 3 -9.317 -0.114 0.128 19 HB2 CYS 3 HB2 CYS 3 -10.156 -2.089 2.257 20 HB3 CYS 3 HB1 CYS 3 -8.961 -0.808 2.420 21 H TRP 4 HN TRP 4 -7.288 -0.772 -0.313 22 HA TRP 4 HA TRP 4 -6.677 -3.622 -0.371 23 HB2 TRP 4 HB2 TRP 4 -5.828 -3.608 -2.618 24 HB3 TRP 4 HB1 TRP 4 -7.476 -3.001 -2.660 25 HD1 TRP 4 HD1 TRP 4 -3.862 -1.926 -3.274 26 HE1 TRP 4 HE1 TRP 4 -3.869 0.320 -4.517 27 HE3 TRP 4 HE3 TRP 4 -8.845 -0.807 -2.934 28 HZ2 TRP 4 HZ2 TRP 4 -5.715 2.307 -5.242 29 HZ3 TRP 4 HZ3 TRP 4 -9.646 1.290 -3.932 30 HH2 TRP 4 HH2 TRP 4 -8.113 2.818 -5.062 31 H ASN 5 HN ASN 5 -4.334 -4.001 -0.725 32 HA ASN 5 HA ASN 5 -2.855 -2.043 0.831 33 HB2 ASN 5 HB2 ASN 5 -1.094 -3.832 0.924 34 HB3 ASN 5 HB1 ASN 5 -2.638 -4.283 1.637 35 HD21 ASN 5 HD21 ASN 5 -0.329 -4.920 -0.825 36 HD22 ASN 5 HD22 ASN 5 -1.094 -6.324 -1.483 37 H VAL 6 HN VAL 6 -1.889 -0.487 -0.188 38 HA VAL 6 HA VAL 6 -0.805 -0.862 -2.871 39 HB VAL 6 HB VAL 6 -0.783 1.611 -1.132 40 HG11 VAL 6 HG11 VAL 6 0.933 1.636 -2.857 41 HG12 VAL 6 HG12 VAL 6 -0.338 2.802 -3.231 42 HG13 VAL 6 HG13 VAL 6 -0.275 1.259 -4.085 43 HG21 VAL 6 HG21 VAL 6 -2.692 0.845 -3.333 44 HG22 VAL 6 HG22 VAL 6 -2.652 2.396 -2.499 45 HG23 VAL 6 HG23 VAL 6 -3.066 0.930 -1.612 46 H CYS 7 HN CYS 7 1.139 -1.775 -2.972 47 HA CYS 7 HA CYS 7 3.062 -1.359 -0.823 48 HB2 CYS 7 HB2 CYS 7 2.702 -3.377 -2.955 49 HB3 CYS 7 HB1 CYS 7 4.362 -3.006 -2.511 50 H VAL 8 HN VAL 8 4.654 0.029 -0.949 51 HA VAL 8 HA VAL 8 5.387 1.102 -3.600 52 HB VAL 8 HB VAL 8 5.607 2.464 -0.917 53 HG11 VAL 8 HG11 VAL 8 6.160 4.475 -2.227 54 HG12 VAL 8 HG12 VAL 8 6.187 3.489 -3.689 55 HG13 VAL 8 HG13 VAL 8 7.362 3.196 -2.405 56 HG21 VAL 8 HG21 VAL 8 3.681 2.961 -3.181 57 HG22 VAL 8 HG22 VAL 8 3.836 3.955 -1.733 58 HG23 VAL 8 HG23 VAL 8 3.286 2.284 -1.602 59 H TYR 9 HN TYR 9 7.436 0.892 -4.208 60 HA TYR 9 HA TYR 9 9.362 -0.178 -2.288 61 HB2 TYR 9 HB2 TYR 9 9.007 -0.430 -5.159 62 HB3 TYR 9 HB1 TYR 9 10.641 0.072 -4.759 63 HD1 TYR 9 HD1 TYR 9 8.240 -2.647 -4.694 64 HD2 TYR 9 HD2 TYR 9 12.052 -1.353 -3.319 65 HE1 TYR 9 HE1 TYR 9 8.826 -4.973 -4.141 66 HE2 TYR 9 HE2 TYR 9 12.648 -3.669 -2.766 67 HH TYR 9 HH TYR 9 11.525 -5.783 -2.237 68 H ARG 10 HN ARG 10 10.002 1.514 -1.096 69 HA ARG 10 HA ARG 10 11.456 3.612 -2.539 70 HB2 ARG 10 HB2 ARG 10 10.788 5.216 -0.833 71 HB3 ARG 10 HB1 ARG 10 9.376 4.550 -1.623 72 HG2 ARG 10 HG2 ARG 10 9.001 3.077 0.263 73 HG3 ARG 10 HG1 ARG 10 10.445 3.703 1.056 74 HD2 ARG 10 HD2 ARG 10 8.386 4.724 1.924 75 HD3 ARG 10 HD1 ARG 10 9.464 5.907 1.193 76 HE ARG 10 HE ARG 10 7.920 5.565 -0.847 77 HH11 ARG 10 HH11 ARG 10 6.905 5.471 2.501 78 HH12 ARG 10 HH12 ARG 10 5.302 6.039 2.164 79 HH21 ARG 10 HH21 ARG 10 5.810 6.340 -1.292 80 HH22 ARG 10 HH22 ARG 10 4.684 6.544 0.012 81 H ASN 11 HN ASN 11 13.421 4.142 -1.662 82 HA ASN 11 HA ASN 11 15.431 3.662 -0.696 83 HB2 ASN 11 HB2 ASN 11 13.754 2.748 1.655 84 HB3 ASN 11 HB1 ASN 11 15.465 3.152 1.697 85 HD21 ASN 11 HD21 ASN 11 13.153 4.252 3.134 86 HD22 ASN 11 HD22 ASN 11 13.181 5.953 2.824 87 H ALA 12 HN ALA 12 13.920 1.633 -2.215 88 HA ALA 12 HA ALA 12 13.996 -0.537 -2.843 89 HB1 ALA 12 HB1 ALA 12 16.426 -0.219 -2.777 90 HB2 ALA 12 HB2 ALA 12 15.975 -1.860 -2.310 91 HB3 ALA 12 HB3 ALA 12 16.441 -0.688 -1.076 92 H VAL 13 HN VAL 13 12.667 0.363 -0.293 93 HA VAL 13 HA VAL 13 12.332 -2.310 0.906 94 HB VAL 13 HB VAL 13 11.580 0.333 2.163 95 HG11 VAL 13 HG11 VAL 13 10.306 -1.570 2.981 96 HG12 VAL 13 HG12 VAL 13 11.402 -0.971 4.224 97 HG13 VAL 13 HG13 VAL 13 11.802 -2.436 3.329 98 HG21 VAL 13 HG21 VAL 13 14.030 -1.343 2.691 99 HG22 VAL 13 HG22 VAL 13 13.545 0.091 3.596 100 HG23 VAL 13 HG23 VAL 13 14.005 0.230 1.899 101 H ARG 14 HN ARG 14 10.370 -3.235 0.712 102 HA ARG 14 HA ARG 14 8.317 -1.833 -0.768 103 HB2 ARG 14 HB2 ARG 14 9.038 -4.257 -1.161 104 HB3 ARG 14 HB1 ARG 14 8.184 -4.637 0.329 105 HG2 ARG 14 HG2 ARG 14 6.135 -3.642 -0.680 106 HG3 ARG 14 HG1 ARG 14 7.036 -3.495 -2.189 107 HD2 ARG 14 HD2 ARG 14 5.704 -5.509 -2.241 108 HD3 ARG 14 HD1 ARG 14 7.413 -5.935 -2.168 109 HE ARG 14 HE ARG 14 6.882 -6.096 0.371 110 HH11 ARG 14 HH11 ARG 14 4.817 -7.113 -2.269 111 HH12 ARG 14 HH12 ARG 14 3.991 -8.307 -1.325 112 HH21 ARG 14 HH21 ARG 14 5.796 -7.661 1.610 113 HH22 ARG 14 HH22 ARG 14 4.546 -8.618 0.883 114 H VAL 15 HN VAL 15 6.702 -0.780 0.213 115 HA VAL 15 HA VAL 15 5.881 -1.717 2.881 116 HB VAL 15 HB VAL 15 7.207 0.369 3.039 117 HG11 VAL 15 HG11 VAL 15 6.332 2.486 2.290 118 HG12 VAL 15 HG12 VAL 15 4.932 1.682 1.583 119 HG13 VAL 15 HG13 VAL 15 6.541 1.396 0.917 120 HG21 VAL 15 HG21 VAL 15 4.314 0.622 3.828 121 HG22 VAL 15 HG22 VAL 15 5.643 1.571 4.495 122 HG23 VAL 15 HG23 VAL 15 5.588 -0.172 4.755 123 H CYS 16 HN CYS 16 3.830 -2.326 2.933 124 HA CYS 16 HA CYS 16 2.030 -1.328 0.849 125 HB2 CYS 16 HB2 CYS 16 2.368 -3.899 2.133 126 HB3 CYS 16 HB1 CYS 16 0.702 -3.344 2.234 127 H HIS 17 HN HIS 17 0.423 -0.044 1.271 128 HA HIS 17 HA HIS 17 -0.419 0.342 4.080 129 HB2 HIS 17 HB2 HIS 17 -1.039 2.389 1.999 130 HB3 HIS 17 HB1 HIS 17 -0.740 2.606 3.713 131 HD1 HIS 17 HD1 HIS 17 0.723 3.237 0.537 132 HD2 HIS 17 HD2 HIS 17 2.202 2.226 4.281 133 HE1 HIS 17 HE1 HIS 17 3.139 3.893 0.502 134 HE2 HIS 17 HE2 HIS 17 3.920 3.540 2.870 135 H ARG 18 HN ARG 18 -2.619 0.102 4.483 136 HA ARG 18 HA ARG 18 -4.164 -0.932 2.241 137 HB2 ARG 18 HB2 ARG 18 -4.151 -2.187 4.372 138 HB3 ARG 18 HB1 ARG 18 -4.889 -0.808 5.174 139 HG2 ARG 18 HG2 ARG 18 -6.900 -1.060 3.964 140 HG3 ARG 18 HG1 ARG 18 -6.166 -2.211 2.846 141 HD2 ARG 18 HD2 ARG 18 -5.895 -3.810 4.674 142 HD3 ARG 18 HD1 ARG 18 -6.619 -2.660 5.794 143 HE ARG 18 HE ARG 18 -8.667 -2.854 4.357 144 HH11 ARG 18 HH11 ARG 18 -6.342 -5.469 4.562 145 HH12 ARG 18 HH12 ARG 18 -7.509 -6.695 4.185 146 HH21 ARG 18 HH21 ARG 18 -10.194 -4.479 3.855 147 HH22 ARG 18 HH22 ARG 18 -9.680 -6.135 3.767 148 H ARG 19 HN ARG 19 -4.879 0.683 1.029 149 HA ARG 19 HA ARG 19 -6.043 3.045 2.332 150 HB2 ARG 19 HB2 ARG 19 -5.541 4.273 0.414 151 HB3 ARG 19 HB1 ARG 19 -4.179 3.168 0.523 152 HG2 ARG 19 HG2 ARG 19 -4.598 2.727 -1.618 153 HG3 ARG 19 HG1 ARG 19 -5.956 1.764 -1.031 154 HD2 ARG 19 HD2 ARG 19 -6.801 3.226 -2.710 155 HD3 ARG 19 HD1 ARG 19 -7.355 3.846 -1.152 156 HE ARG 19 HE ARG 19 -4.888 5.013 -2.117 157 HH11 ARG 19 HH11 ARG 19 -8.378 5.274 -2.011 158 HH12 ARG 19 HH12 ARG 19 -8.392 6.955 -2.423 159 HH21 ARG 19 HH21 ARG 19 -4.912 7.233 -2.664 160 HH22 ARG 19 HH22 ARG 19 -6.427 8.065 -2.803 161 H CYS 20 HN CYS 20 -7.986 3.960 1.227 162 HA CYS 20 HA CYS 20 -9.705 1.821 0.173 163 HB2 CYS 20 HB2 CYS 20 -10.450 3.911 2.218 164 HB3 CYS 20 HB1 CYS 20 -11.576 2.774 1.484 165 H ASN 21 HN ASN 21 -11.027 2.358 -1.480 166 HA ASN 21 HA ASN 21 -11.499 5.156 -2.131 167 HB2 ASN 21 HB2 ASN 21 -9.458 4.695 -3.375 168 HB3 ASN 21 HB1 ASN 21 -10.162 3.228 -4.045 169 HD21 ASN 21 HD21 ASN 21 -11.621 3.371 -5.712 170 HD22 ASN 21 HD22 ASN 21 -11.916 4.836 -6.580 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 -17.042 1.598 1.303 2 H2 ALA 1 HT2 ALA 1 -16.722 3.155 1.878 3 H3 ALA 1 HT3 ALA 1 -15.838 1.841 2.462 4 HA ALA 1 HA ALA 1 -15.806 2.764 -0.348 5 HB1 ALA 1 HB1 ALA 1 -13.583 3.651 0.137 6 HB2 ALA 1 HB2 ALA 1 -13.758 3.184 1.829 7 HB3 ALA 1 HB3 ALA 1 -14.803 4.427 1.144 8 H PHE 2 HN PHE 2 -13.905 1.815 -1.494 9 HA PHE 2 HA PHE 2 -13.495 -0.955 -0.637 10 HB2 PHE 2 HB2 PHE 2 -14.238 -0.626 -2.959 11 HB3 PHE 2 HB1 PHE 2 -12.835 0.391 -3.272 12 HD1 PHE 2 HD1 PHE 2 -10.735 -0.539 -3.762 13 HD2 PHE 2 HD2 PHE 2 -13.945 -3.035 -2.535 14 HE1 PHE 2 HE1 PHE 2 -9.435 -2.514 -4.413 15 HE2 PHE 2 HE2 PHE 2 -12.657 -5.019 -3.184 16 HZ PHE 2 HZ PHE 2 -10.394 -4.768 -4.125 17 H CYS 3 HN CYS 3 -11.640 -1.577 0.248 18 HA CYS 3 HA CYS 3 -9.337 0.239 0.032 19 HB2 CYS 3 HB2 CYS 3 -9.981 -1.539 2.390 20 HB3 CYS 3 HB1 CYS 3 -8.735 -0.299 2.297 21 H TRP 4 HN TRP 4 -7.306 -0.662 -0.210 22 HA TRP 4 HA TRP 4 -7.018 -3.546 -0.312 23 HB2 TRP 4 HB2 TRP 4 -6.220 -3.634 -2.592 24 HB3 TRP 4 HB1 TRP 4 -7.826 -2.921 -2.589 25 HD1 TRP 4 HD1 TRP 4 -4.229 -2.186 -3.514 26 HE1 TRP 4 HE1 TRP 4 -4.112 0.076 -4.725 27 HE3 TRP 4 HE3 TRP 4 -8.985 -0.516 -2.620 28 HZ2 TRP 4 HZ2 TRP 4 -5.772 2.273 -5.216 29 HZ3 TRP 4 HZ3 TRP 4 -9.634 1.689 -3.499 30 HH2 TRP 4 HH2 TRP 4 -8.061 3.055 -4.772 31 H ASN 5 HN ASN 5 -4.674 -4.102 -0.846 32 HA ASN 5 HA ASN 5 -3.005 -2.223 0.640 33 HB2 ASN 5 HB2 ASN 5 -1.482 -4.057 1.022 34 HB3 ASN 5 HB1 ASN 5 -3.111 -4.593 1.402 35 HD21 ASN 5 HD21 ASN 5 -4.136 -6.081 0.016 36 HD22 ASN 5 HD22 ASN 5 -3.231 -7.033 -1.112 37 H VAL 6 HN VAL 6 -1.560 -1.012 -0.300 38 HA VAL 6 HA VAL 6 -0.653 -1.699 -3.023 39 HB VAL 6 HB VAL 6 -0.587 1.038 -1.755 40 HG11 VAL 6 HG11 VAL 6 1.016 0.695 -3.548 41 HG12 VAL 6 HG12 VAL 6 -0.252 1.815 -4.048 42 HG13 VAL 6 HG13 VAL 6 -0.276 0.145 -4.614 43 HG21 VAL 6 HG21 VAL 6 -2.522 1.612 -3.143 44 HG22 VAL 6 HG22 VAL 6 -2.905 0.365 -1.955 45 HG23 VAL 6 HG23 VAL 6 -2.649 -0.074 -3.644 46 H CYS 7 HN CYS 7 1.331 -2.591 -2.902 47 HA CYS 7 HA CYS 7 3.138 -1.668 -0.795 48 HB2 CYS 7 HB2 CYS 7 2.639 -4.212 -1.872 49 HB3 CYS 7 HB1 CYS 7 4.258 -3.770 -2.400 50 H VAL 8 HN VAL 8 4.668 -0.323 -1.176 51 HA VAL 8 HA VAL 8 5.476 0.175 -3.973 52 HB VAL 8 HB VAL 8 5.230 2.153 -1.705 53 HG11 VAL 8 HG11 VAL 8 7.130 2.763 -3.034 54 HG12 VAL 8 HG12 VAL 8 5.803 3.867 -3.400 55 HG13 VAL 8 HG13 VAL 8 6.203 2.566 -4.522 56 HG21 VAL 8 HG21 VAL 8 3.672 1.890 -4.270 57 HG22 VAL 8 HG22 VAL 8 3.505 3.204 -3.108 58 HG23 VAL 8 HG23 VAL 8 3.074 1.558 -2.645 59 H TYR 9 HN TYR 9 7.617 0.217 -4.396 60 HA TYR 9 HA TYR 9 9.491 -0.400 -2.301 61 HB2 TYR 9 HB2 TYR 9 9.531 -0.310 -5.235 62 HB3 TYR 9 HB1 TYR 9 11.013 0.267 -4.489 63 HD1 TYR 9 HD1 TYR 9 8.964 -2.632 -5.218 64 HD2 TYR 9 HD2 TYR 9 12.312 -1.230 -3.003 65 HE1 TYR 9 HE1 TYR 9 9.703 -4.952 -4.876 66 HE2 TYR 9 HE2 TYR 9 13.064 -3.542 -2.658 67 HH TYR 9 HH TYR 9 12.018 -5.830 -2.616 68 H ARG 10 HN ARG 10 9.708 1.211 -0.913 69 HA ARG 10 HA ARG 10 10.425 3.862 -1.984 70 HB2 ARG 10 HB2 ARG 10 8.158 3.714 -0.891 71 HB3 ARG 10 HB1 ARG 10 8.971 3.296 0.607 72 HG2 ARG 10 HG2 ARG 10 10.157 5.460 0.526 73 HG3 ARG 10 HG1 ARG 10 9.237 5.867 -0.926 74 HD2 ARG 10 HD2 ARG 10 7.148 5.577 0.369 75 HD3 ARG 10 HD1 ARG 10 8.119 5.304 1.814 76 HE ARG 10 HE ARG 10 8.709 7.778 0.469 77 HH11 ARG 10 HH11 ARG 10 6.677 6.208 2.849 78 HH12 ARG 10 HH12 ARG 10 6.259 7.686 3.654 79 HH21 ARG 10 HH21 ARG 10 8.151 9.724 1.522 80 HH22 ARG 10 HH22 ARG 10 7.091 9.684 2.896 81 H ASN 11 HN ASN 11 12.432 4.419 -1.488 82 HA ASN 11 HA ASN 11 14.495 4.463 -0.548 83 HB2 ASN 11 HB2 ASN 11 12.954 3.639 1.923 84 HB3 ASN 11 HB1 ASN 11 14.672 4.021 1.932 85 HD21 ASN 11 HD21 ASN 11 12.370 5.318 3.253 86 HD22 ASN 11 HD22 ASN 11 12.436 6.974 2.756 87 H ALA 12 HN ALA 12 13.584 2.208 -1.952 88 HA ALA 12 HA ALA 12 14.256 0.153 -2.596 89 HB1 ALA 12 HB1 ALA 12 16.519 0.987 -2.192 90 HB2 ALA 12 HB2 ALA 12 16.383 -0.730 -1.812 91 HB3 ALA 12 HB3 ALA 12 16.416 0.462 -0.513 92 H VAL 13 HN VAL 13 12.427 0.628 -0.245 93 HA VAL 13 HA VAL 13 12.467 -2.149 0.738 94 HB VAL 13 HB VAL 13 11.575 0.256 2.333 95 HG11 VAL 13 HG11 VAL 13 10.315 -1.758 2.864 96 HG12 VAL 13 HG12 VAL 13 11.379 -1.314 4.198 97 HG13 VAL 13 HG13 VAL 13 11.819 -2.640 3.124 98 HG21 VAL 13 HG21 VAL 13 14.003 0.215 2.101 99 HG22 VAL 13 HG22 VAL 13 14.036 -1.451 2.672 100 HG23 VAL 13 HG23 VAL 13 13.521 -0.160 3.754 101 H ARG 14 HN ARG 14 10.590 -3.225 0.512 102 HA ARG 14 HA ARG 14 8.442 -1.934 -0.919 103 HB2 ARG 14 HB2 ARG 14 9.399 -4.278 -1.357 104 HB3 ARG 14 HB1 ARG 14 8.487 -4.782 0.058 105 HG2 ARG 14 HG2 ARG 14 6.433 -3.929 -1.037 106 HG3 ARG 14 HG1 ARG 14 7.402 -3.613 -2.478 107 HD2 ARG 14 HD2 ARG 14 6.325 -5.719 -2.782 108 HD3 ARG 14 HD1 ARG 14 8.035 -6.031 -2.485 109 HE ARG 14 HE ARG 14 6.806 -6.172 -0.020 110 HH11 ARG 14 HH11 ARG 14 6.587 -7.842 -3.083 111 HH12 ARG 14 HH12 ARG 14 6.003 -9.318 -2.388 112 HH21 ARG 14 HH21 ARG 14 6.030 -8.113 0.911 113 HH22 ARG 14 HH22 ARG 14 5.682 -9.471 -0.111 114 H VAL 15 HN VAL 15 7.063 -0.752 0.279 115 HA VAL 15 HA VAL 15 6.141 -1.899 2.832 116 HB VAL 15 HB VAL 15 5.402 0.468 3.360 117 HG11 VAL 15 HG11 VAL 15 8.351 -0.074 3.025 118 HG12 VAL 15 HG12 VAL 15 7.352 -0.568 4.391 119 HG13 VAL 15 HG13 VAL 15 7.644 1.144 4.088 120 HG21 VAL 15 HG21 VAL 15 7.219 1.097 1.033 121 HG22 VAL 15 HG22 VAL 15 6.589 2.274 2.186 122 HG23 VAL 15 HG23 VAL 15 5.482 1.404 1.123 123 H CYS 16 HN CYS 16 4.123 -2.551 2.977 124 HA CYS 16 HA CYS 16 2.261 -1.980 0.804 125 HB2 CYS 16 HB2 CYS 16 2.224 -3.965 3.075 126 HB3 CYS 16 HB1 CYS 16 0.840 -3.707 2.026 127 H HIS 17 HN HIS 17 0.743 -0.464 0.987 128 HA HIS 17 HA HIS 17 -0.062 0.395 3.700 129 HB2 HIS 17 HB2 HIS 17 -0.723 2.015 1.278 130 HB3 HIS 17 HB1 HIS 17 -0.453 2.549 2.927 131 HD1 HIS 17 HD1 HIS 17 1.032 2.691 -0.274 132 HD2 HIS 17 HD2 HIS 17 2.505 2.226 3.586 133 HE1 HIS 17 HE1 HIS 17 3.455 3.324 -0.396 134 HE2 HIS 17 HE2 HIS 17 4.259 3.261 1.997 135 H ARG 18 HN ARG 18 -2.192 0.231 4.257 136 HA ARG 18 HA ARG 18 -4.008 -0.937 2.297 137 HB2 ARG 18 HB2 ARG 18 -3.889 -1.862 4.625 138 HB3 ARG 18 HB1 ARG 18 -4.523 -0.332 5.218 139 HG2 ARG 18 HG2 ARG 18 -6.533 -0.686 3.800 140 HG3 ARG 18 HG1 ARG 18 -5.910 -2.286 3.401 141 HD2 ARG 18 HD2 ARG 18 -7.504 -2.500 5.183 142 HD3 ARG 18 HD1 ARG 18 -5.892 -2.825 5.819 143 HE ARG 18 HE ARG 18 -6.923 -0.113 6.106 144 HH11 ARG 18 HH11 ARG 18 -6.299 -3.224 7.578 145 HH12 ARG 18 HH12 ARG 18 -6.387 -2.619 9.200 146 HH21 ARG 18 HH21 ARG 18 -7.067 0.686 8.239 147 HH22 ARG 18 HH22 ARG 18 -6.825 -0.390 9.577 148 H ARG 19 HN ARG 19 -4.735 0.601 0.949 149 HA ARG 19 HA ARG 19 -5.599 3.159 2.125 150 HB2 ARG 19 HB2 ARG 19 -4.892 4.263 0.230 151 HB3 ARG 19 HB1 ARG 19 -3.718 2.957 0.298 152 HG2 ARG 19 HG2 ARG 19 -4.255 2.558 -1.819 153 HG3 ARG 19 HG1 ARG 19 -5.774 1.893 -1.207 154 HD2 ARG 19 HD2 ARG 19 -6.256 3.531 -2.911 155 HD3 ARG 19 HD1 ARG 19 -6.769 4.155 -1.339 156 HE ARG 19 HE ARG 19 -4.122 4.915 -2.327 157 HH11 ARG 19 HH11 ARG 19 -7.447 5.816 -1.675 158 HH12 ARG 19 HH12 ARG 19 -7.134 7.517 -1.788 159 HH21 ARG 19 HH21 ARG 19 -3.708 7.147 -2.445 160 HH22 ARG 19 HH22 ARG 19 -5.005 8.278 -2.218 161 H CYS 20 HN CYS 20 -7.462 4.192 0.980 162 HA CYS 20 HA CYS 20 -9.386 2.156 0.085 163 HB2 CYS 20 HB2 CYS 20 -9.904 4.415 2.013 164 HB3 CYS 20 HB1 CYS 20 -11.126 3.305 1.400 165 H ASN 21 HN ASN 21 -11.141 2.939 -1.186 166 HA ASN 21 HA ASN 21 -10.782 5.621 -2.339 167 HB2 ASN 21 HB2 ASN 21 -9.843 3.969 -3.910 168 HB3 ASN 21 HB1 ASN 21 -11.366 3.087 -3.896 169 HD21 ASN 21 HD21 ASN 21 -13.118 3.891 -5.024 170 HD22 ASN 21 HD22 ASN 21 -12.973 5.189 -6.158 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 -16.685 0.497 1.875 2 H2 ALA 1 HT2 ALA 1 -16.745 2.174 2.072 3 H3 ALA 1 HT3 ALA 1 -15.461 1.289 2.725 4 HA ALA 1 HA ALA 1 -16.045 1.562 -0.162 5 HB1 ALA 1 HB1 ALA 1 -15.268 3.660 0.851 6 HB2 ALA 1 HB2 ALA 1 -14.078 2.981 -0.258 7 HB3 ALA 1 HB3 ALA 1 -13.854 2.818 1.482 8 H PHE 2 HN PHE 2 -14.372 0.686 -1.513 9 HA PHE 2 HA PHE 2 -13.364 -1.820 -0.557 10 HB2 PHE 2 HB2 PHE 2 -14.165 -1.572 -2.864 11 HB3 PHE 2 HB1 PHE 2 -12.913 -0.377 -3.182 12 HD1 PHE 2 HD1 PHE 2 -10.666 -1.024 -3.600 13 HD2 PHE 2 HD2 PHE 2 -13.607 -3.916 -2.600 14 HE1 PHE 2 HE1 PHE 2 -9.141 -2.808 -4.307 15 HE2 PHE 2 HE2 PHE 2 -12.099 -5.712 -3.310 16 HZ PHE 2 HZ PHE 2 -9.851 -5.157 -4.186 17 H CYS 3 HN CYS 3 -11.381 -2.278 0.195 18 HA CYS 3 HA CYS 3 -9.338 -0.163 0.038 19 HB2 CYS 3 HB2 CYS 3 -9.746 -2.059 2.357 20 HB3 CYS 3 HB1 CYS 3 -8.629 -0.701 2.282 21 H TRP 4 HN TRP 4 -7.130 -0.878 0.026 22 HA TRP 4 HA TRP 4 -6.563 -3.682 -0.259 23 HB2 TRP 4 HB2 TRP 4 -5.756 -3.656 -2.522 24 HB3 TRP 4 HB1 TRP 4 -7.409 -3.066 -2.530 25 HD1 TRP 4 HD1 TRP 4 -3.818 -1.948 -3.205 26 HE1 TRP 4 HE1 TRP 4 -3.877 0.291 -4.470 27 HE3 TRP 4 HE3 TRP 4 -8.805 -0.916 -2.800 28 HZ2 TRP 4 HZ2 TRP 4 -5.771 2.237 -5.184 29 HZ3 TRP 4 HZ3 TRP 4 -9.661 1.159 -3.801 30 HH2 TRP 4 HH2 TRP 4 -8.175 2.705 -4.970 31 H ASN 5 HN ASN 5 -4.215 -3.998 -0.843 32 HA ASN 5 HA ASN 5 -2.672 -2.157 0.800 33 HB2 ASN 5 HB2 ASN 5 -0.945 -3.939 0.770 34 HB3 ASN 5 HB1 ASN 5 -2.491 -4.502 1.385 35 HD21 ASN 5 HD21 ASN 5 -0.206 -5.933 0.184 36 HD22 ASN 5 HD22 ASN 5 -0.871 -6.835 -1.134 37 H VAL 6 HN VAL 6 -1.721 -0.530 -0.192 38 HA VAL 6 HA VAL 6 -0.745 -0.849 -2.929 39 HB VAL 6 HB VAL 6 -0.730 1.616 -1.174 40 HG11 VAL 6 HG11 VAL 6 1.002 1.647 -2.897 41 HG12 VAL 6 HG12 VAL 6 -0.263 2.827 -3.249 42 HG13 VAL 6 HG13 VAL 6 -0.210 1.298 -4.129 43 HG21 VAL 6 HG21 VAL 6 -3.002 0.958 -1.656 44 HG22 VAL 6 HG22 VAL 6 -2.623 0.794 -3.370 45 HG23 VAL 6 HG23 VAL 6 -2.584 2.384 -2.608 46 H CYS 7 HN CYS 7 1.151 -1.869 -3.004 47 HA CYS 7 HA CYS 7 3.170 -1.349 -0.970 48 HB2 CYS 7 HB2 CYS 7 2.738 -3.478 -2.991 49 HB3 CYS 7 HB1 CYS 7 4.403 -3.104 -2.566 50 H VAL 8 HN VAL 8 4.669 0.072 -1.220 51 HA VAL 8 HA VAL 8 5.446 0.917 -3.944 52 HB VAL 8 HB VAL 8 5.458 2.516 -1.379 53 HG11 VAL 8 HG11 VAL 8 7.358 3.121 -2.768 54 HG12 VAL 8 HG12 VAL 8 6.166 4.421 -2.731 55 HG13 VAL 8 HG13 VAL 8 6.283 3.371 -4.146 56 HG21 VAL 8 HG21 VAL 8 3.223 2.251 -2.283 57 HG22 VAL 8 HG22 VAL 8 3.779 2.798 -3.864 58 HG23 VAL 8 HG23 VAL 8 3.774 3.914 -2.498 59 H TYR 9 HN TYR 9 7.599 0.843 -4.428 60 HA TYR 9 HA TYR 9 9.386 -0.297 -2.439 61 HB2 TYR 9 HB2 TYR 9 9.238 -0.460 -5.231 62 HB3 TYR 9 HB1 TYR 9 10.665 0.511 -4.920 63 HD1 TYR 9 HD1 TYR 9 9.055 -2.709 -3.949 64 HD2 TYR 9 HD2 TYR 9 12.678 -0.531 -4.413 65 HE1 TYR 9 HE1 TYR 9 10.337 -4.752 -3.466 66 HE2 TYR 9 HE2 TYR 9 13.969 -2.566 -3.934 67 HH TYR 9 HH TYR 9 12.499 -5.690 -3.778 68 H ARG 10 HN ARG 10 9.833 1.222 -0.969 69 HA ARG 10 HA ARG 10 11.025 3.734 -1.926 70 HB2 ARG 10 HB2 ARG 10 8.679 3.875 -0.917 71 HB3 ARG 10 HB1 ARG 10 9.421 3.419 0.608 72 HG2 ARG 10 HG2 ARG 10 9.094 5.793 0.469 73 HG3 ARG 10 HG1 ARG 10 10.814 5.412 0.542 74 HD2 ARG 10 HD2 ARG 10 10.349 7.178 -1.085 75 HD3 ARG 10 HD1 ARG 10 10.989 5.739 -1.870 76 HE ARG 10 HE ARG 10 8.891 5.342 -2.833 77 HH11 ARG 10 HH11 ARG 10 8.878 8.223 -0.838 78 HH12 ARG 10 HH12 ARG 10 7.400 8.833 -1.510 79 HH21 ARG 10 HH21 ARG 10 6.946 6.154 -3.723 80 HH22 ARG 10 HH22 ARG 10 6.299 7.656 -3.143 81 H ASN 11 HN ASN 11 13.020 4.098 -1.160 82 HA ASN 11 HA ASN 11 15.006 3.741 -0.110 83 HB2 ASN 11 HB2 ASN 11 13.253 2.727 2.145 84 HB3 ASN 11 HB1 ASN 11 14.983 3.008 2.278 85 HD21 ASN 11 HD21 ASN 11 14.874 5.411 0.605 86 HD22 ASN 11 HD22 ASN 11 14.172 6.640 1.595 87 H ALA 12 HN ALA 12 13.754 1.785 -1.809 88 HA ALA 12 HA ALA 12 14.066 -0.290 -2.635 89 HB1 ALA 12 HB1 ALA 12 16.329 -0.496 -0.647 90 HB2 ALA 12 HB2 ALA 12 16.450 0.197 -2.264 91 HB3 ALA 12 HB3 ALA 12 16.078 -1.515 -2.065 92 H VAL 13 HN VAL 13 12.457 0.245 -0.112 93 HA VAL 13 HA VAL 13 12.157 -2.589 0.640 94 HB VAL 13 HB VAL 13 11.365 -0.211 2.336 95 HG11 VAL 13 HG11 VAL 13 9.995 -2.158 2.754 96 HG12 VAL 13 HG12 VAL 13 11.097 -1.909 4.109 97 HG13 VAL 13 HG13 VAL 13 11.430 -3.168 2.922 98 HG21 VAL 13 HG21 VAL 13 13.749 -2.041 2.625 99 HG22 VAL 13 HG22 VAL 13 13.252 -0.809 3.786 100 HG23 VAL 13 HG23 VAL 13 13.793 -0.335 2.176 101 H ARG 14 HN ARG 14 10.162 -3.477 0.373 102 HA ARG 14 HA ARG 14 8.237 -1.904 -1.118 103 HB2 ARG 14 HB2 ARG 14 8.875 -4.149 -1.896 104 HB3 ARG 14 HB1 ARG 14 8.252 -4.834 -0.402 105 HG2 ARG 14 HG2 ARG 14 6.031 -4.041 -0.963 106 HG3 ARG 14 HG1 ARG 14 6.644 -3.369 -2.474 107 HD2 ARG 14 HD2 ARG 14 6.712 -6.269 -1.667 108 HD3 ARG 14 HD1 ARG 14 5.583 -5.550 -2.813 109 HE ARG 14 HE ARG 14 7.761 -4.936 -4.060 110 HH11 ARG 14 HH11 ARG 14 7.157 -7.890 -2.285 111 HH12 ARG 14 HH12 ARG 14 8.294 -8.825 -3.202 112 HH21 ARG 14 HH21 ARG 14 9.252 -6.160 -5.278 113 HH22 ARG 14 HH22 ARG 14 9.487 -7.839 -4.908 114 H VAL 15 HN VAL 15 7.115 -0.609 0.237 115 HA VAL 15 HA VAL 15 5.983 -1.801 2.668 116 HB VAL 15 HB VAL 15 5.493 0.543 3.357 117 HG11 VAL 15 HG11 VAL 15 7.478 -0.593 4.170 118 HG12 VAL 15 HG12 VAL 15 7.822 1.115 3.900 119 HG13 VAL 15 HG13 VAL 15 8.376 -0.090 2.738 120 HG21 VAL 15 HG21 VAL 15 7.112 1.252 0.913 121 HG22 VAL 15 HG22 VAL 15 6.651 2.377 2.192 122 HG23 VAL 15 HG23 VAL 15 5.409 1.623 1.191 123 H CYS 16 HN CYS 16 3.891 -2.268 2.787 124 HA CYS 16 HA CYS 16 2.134 -1.264 0.671 125 HB2 CYS 16 HB2 CYS 16 2.302 -3.770 2.131 126 HB3 CYS 16 HB1 CYS 16 0.671 -3.112 2.126 127 H HIS 17 HN HIS 17 0.601 0.133 1.035 128 HA HIS 17 HA HIS 17 -0.113 0.772 3.824 129 HB2 HIS 17 HB2 HIS 17 -0.832 2.585 1.560 130 HB3 HIS 17 HB1 HIS 17 -0.477 2.987 3.231 131 HD1 HIS 17 HD1 HIS 17 0.851 3.459 0.021 132 HD2 HIS 17 HD2 HIS 17 2.525 2.452 3.684 133 HE1 HIS 17 HE1 HIS 17 3.288 4.028 -0.174 134 HE2 HIS 17 HE2 HIS 17 4.216 3.647 2.136 135 H ARG 18 HN ARG 18 -2.266 0.631 4.400 136 HA ARG 18 HA ARG 18 -3.986 -0.658 2.438 137 HB2 ARG 18 HB2 ARG 18 -3.898 -1.630 4.681 138 HB3 ARG 18 HB1 ARG 18 -4.444 -0.109 5.376 139 HG2 ARG 18 HG2 ARG 18 -6.563 -0.307 4.221 140 HG3 ARG 18 HG1 ARG 18 -6.021 -1.792 3.444 141 HD2 ARG 18 HD2 ARG 18 -5.832 -2.867 5.627 142 HD3 ARG 18 HD1 ARG 18 -6.361 -1.379 6.405 143 HE ARG 18 HE ARG 18 -8.106 -2.722 4.462 144 HH11 ARG 18 HH11 ARG 18 -7.476 -1.650 7.743 145 HH12 ARG 18 HH12 ARG 18 -9.113 -1.889 8.268 146 HH21 ARG 18 HH21 ARG 18 -10.266 -3.032 5.159 147 HH22 ARG 18 HH22 ARG 18 -10.691 -2.677 6.804 148 H ARG 19 HN ARG 19 -4.784 0.800 1.058 149 HA ARG 19 HA ARG 19 -6.013 3.226 2.190 150 HB2 ARG 19 HB2 ARG 19 -5.490 4.393 0.248 151 HB3 ARG 19 HB1 ARG 19 -4.088 3.353 0.446 152 HG2 ARG 19 HG2 ARG 19 -4.424 2.872 -1.710 153 HG3 ARG 19 HG1 ARG 19 -5.685 1.792 -1.107 154 HD2 ARG 19 HD2 ARG 19 -6.600 3.141 -2.872 155 HD3 ARG 19 HD1 ARG 19 -7.311 3.650 -1.338 156 HE ARG 19 HE ARG 19 -5.053 5.233 -1.873 157 HH11 ARG 19 HH11 ARG 19 -8.315 4.710 -3.030 158 HH12 ARG 19 HH12 ARG 19 -8.498 6.320 -3.645 159 HH21 ARG 19 HH21 ARG 19 -5.294 7.372 -2.678 160 HH22 ARG 19 HH22 ARG 19 -6.778 7.833 -3.449 161 H CYS 20 HN CYS 20 -7.956 3.994 0.973 162 HA CYS 20 HA CYS 20 -9.530 1.750 -0.083 163 HB2 CYS 20 HB2 CYS 20 -10.560 3.826 1.849 164 HB3 CYS 20 HB1 CYS 20 -11.452 2.446 1.219 165 H ASN 21 HN ASN 21 -11.027 2.270 -1.667 166 HA ASN 21 HA ASN 21 -10.609 4.876 -2.925 167 HB2 ASN 21 HB2 ASN 21 -10.382 2.903 -4.355 168 HB3 ASN 21 HB1 ASN 21 -12.011 2.385 -3.936 169 HD21 ASN 21 HD21 ASN 21 -13.756 3.400 -4.871 170 HD22 ASN 21 HD22 ASN 21 -13.606 4.483 -6.210 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 -17.520 -0.079 -0.867 2 H2 ALA 1 HT2 ALA 1 -17.866 1.275 0.083 3 H3 ALA 1 HT3 ALA 1 -17.258 -0.129 0.800 4 HA ALA 1 HA ALA 1 -15.818 1.586 -1.131 5 HB1 ALA 1 HB1 ALA 1 -14.400 2.189 0.760 6 HB2 ALA 1 HB2 ALA 1 -15.395 1.208 1.832 7 HB3 ALA 1 HB3 ALA 1 -16.077 2.640 1.063 8 H PHE 2 HN PHE 2 -13.949 0.764 -1.915 9 HA PHE 2 HA PHE 2 -13.292 -1.998 -1.141 10 HB2 PHE 2 HB2 PHE 2 -13.798 -1.732 -3.515 11 HB3 PHE 2 HB1 PHE 2 -12.607 -0.445 -3.649 12 HD1 PHE 2 HD1 PHE 2 -10.402 -0.911 -4.148 13 HD2 PHE 2 HD2 PHE 2 -12.989 -4.054 -2.934 14 HE1 PHE 2 HE1 PHE 2 -8.676 -2.545 -4.736 15 HE2 PHE 2 HE2 PHE 2 -11.268 -5.704 -3.524 16 HZ PHE 2 HZ PHE 2 -9.101 -4.955 -4.430 17 H CYS 3 HN CYS 3 -11.346 -2.478 -0.293 18 HA CYS 3 HA CYS 3 -9.397 -0.288 -0.063 19 HB2 CYS 3 HB2 CYS 3 -9.919 -2.437 1.998 20 HB3 CYS 3 HB1 CYS 3 -8.833 -1.062 2.162 21 H TRP 4 HN TRP 4 -7.188 -0.867 -0.120 22 HA TRP 4 HA TRP 4 -6.471 -3.614 -0.649 23 HB2 TRP 4 HB2 TRP 4 -5.571 -3.282 -2.852 24 HB3 TRP 4 HB1 TRP 4 -7.250 -2.767 -2.867 25 HD1 TRP 4 HD1 TRP 4 -3.696 -1.441 -3.276 26 HE1 TRP 4 HE1 TRP 4 -3.804 0.938 -4.247 27 HE3 TRP 4 HE3 TRP 4 -8.735 -0.620 -2.891 28 HZ2 TRP 4 HZ2 TRP 4 -5.745 2.901 -4.761 29 HZ3 TRP 4 HZ3 TRP 4 -9.633 1.542 -3.644 30 HH2 TRP 4 HH2 TRP 4 -8.169 3.266 -4.560 31 H ASN 5 HN ASN 5 -4.110 -3.836 -1.003 32 HA ASN 5 HA ASN 5 -2.710 -1.985 0.753 33 HB2 ASN 5 HB2 ASN 5 -0.875 -3.699 0.656 34 HB3 ASN 5 HB1 ASN 5 -2.393 -4.288 1.326 35 HD21 ASN 5 HD21 ASN 5 -0.060 -4.607 -1.171 36 HD22 ASN 5 HD22 ASN 5 -0.787 -5.958 -1.970 37 H VAL 6 HN VAL 6 -1.800 -0.298 -0.133 38 HA VAL 6 HA VAL 6 -0.760 -0.375 -2.846 39 HB VAL 6 HB VAL 6 -0.632 1.886 -0.843 40 HG11 VAL 6 HG11 VAL 6 -0.308 1.855 -3.841 41 HG12 VAL 6 HG12 VAL 6 0.975 2.090 -2.655 42 HG13 VAL 6 HG13 VAL 6 -0.300 3.296 -2.823 43 HG21 VAL 6 HG21 VAL 6 -2.573 2.822 -2.032 44 HG22 VAL 6 HG22 VAL 6 -2.948 1.302 -1.225 45 HG23 VAL 6 HG23 VAL 6 -2.697 1.337 -2.969 46 H CYS 7 HN CYS 7 1.162 -1.307 -3.084 47 HA CYS 7 HA CYS 7 3.065 -1.186 -0.864 48 HB2 CYS 7 HB2 CYS 7 2.914 -3.037 -3.241 49 HB3 CYS 7 HB1 CYS 7 4.182 -3.087 -2.022 50 H VAL 8 HN VAL 8 4.439 0.393 -0.977 51 HA VAL 8 HA VAL 8 5.389 1.340 -3.595 52 HB VAL 8 HB VAL 8 5.627 2.641 -0.883 53 HG11 VAL 8 HG11 VAL 8 6.296 4.652 -2.129 54 HG12 VAL 8 HG12 VAL 8 6.295 3.706 -3.618 55 HG13 VAL 8 HG13 VAL 8 7.436 3.320 -2.327 56 HG21 VAL 8 HG21 VAL 8 3.938 4.234 -1.710 57 HG22 VAL 8 HG22 VAL 8 3.311 2.590 -1.586 58 HG23 VAL 8 HG23 VAL 8 3.750 3.251 -3.160 59 H TYR 9 HN TYR 9 7.469 1.078 -4.171 60 HA TYR 9 HA TYR 9 9.281 -0.169 -2.274 61 HB2 TYR 9 HB2 TYR 9 9.149 0.073 -5.207 62 HB3 TYR 9 HB1 TYR 9 10.767 0.183 -4.528 63 HD1 TYR 9 HD1 TYR 9 7.977 -1.977 -5.275 64 HD2 TYR 9 HD2 TYR 9 11.657 -1.713 -3.163 65 HE1 TYR 9 HE1 TYR 9 8.041 -4.427 -5.099 66 HE2 TYR 9 HE2 TYR 9 11.734 -4.164 -2.981 67 HH TYR 9 HH TYR 9 10.124 -6.066 -3.021 68 H ARG 10 HN ARG 10 9.945 1.276 -0.862 69 HA ARG 10 HA ARG 10 11.039 3.818 -1.866 70 HB2 ARG 10 HB2 ARG 10 9.022 3.946 -0.368 71 HB3 ARG 10 HB1 ARG 10 9.994 3.225 0.904 72 HG2 ARG 10 HG2 ARG 10 11.555 5.149 0.721 73 HG3 ARG 10 HG1 ARG 10 10.426 5.883 -0.423 74 HD2 ARG 10 HD2 ARG 10 8.674 5.848 1.276 75 HD3 ARG 10 HD1 ARG 10 9.790 5.100 2.417 76 HE ARG 10 HE ARG 10 10.760 7.583 1.364 77 HH11 ARG 10 HH11 ARG 10 8.718 6.135 3.806 78 HH12 ARG 10 HH12 ARG 10 8.818 7.494 4.880 79 HH21 ARG 10 HH21 ARG 10 10.913 9.366 2.782 80 HH22 ARG 10 HH22 ARG 10 10.078 9.328 4.303 81 H ASN 11 HN ASN 11 13.171 3.586 -2.011 82 HA ASN 11 HA ASN 11 15.339 3.129 -1.525 83 HB2 ASN 11 HB2 ASN 11 14.254 3.131 1.293 84 HB3 ASN 11 HB1 ASN 11 15.955 2.855 0.940 85 HD21 ASN 11 HD21 ASN 11 13.877 5.065 -0.837 86 HD22 ASN 11 HD22 ASN 11 14.675 6.509 -0.324 87 H ALA 12 HN ALA 12 13.800 1.102 -2.459 88 HA ALA 12 HA ALA 12 13.908 -1.106 -2.914 89 HB1 ALA 12 HB1 ALA 12 15.746 -2.455 -2.088 90 HB2 ALA 12 HB2 ALA 12 16.153 -1.211 -0.907 91 HB3 ALA 12 HB3 ALA 12 16.327 -0.881 -2.631 92 H VAL 13 HN VAL 13 12.802 0.137 -0.145 93 HA VAL 13 HA VAL 13 12.091 -2.453 1.040 94 HB VAL 13 HB VAL 13 11.558 0.287 2.173 95 HG11 VAL 13 HG11 VAL 13 10.102 -1.450 3.045 96 HG12 VAL 13 HG12 VAL 13 11.238 -0.914 4.284 97 HG13 VAL 13 HG13 VAL 13 11.502 -2.443 3.445 98 HG21 VAL 13 HG21 VAL 13 13.834 -1.584 2.813 99 HG22 VAL 13 HG22 VAL 13 13.478 -0.070 3.643 100 HG23 VAL 13 HG23 VAL 13 13.967 -0.053 1.948 101 H ARG 14 HN ARG 14 10.153 -3.261 0.658 102 HA ARG 14 HA ARG 14 8.202 -1.723 -0.807 103 HB2 ARG 14 HB2 ARG 14 8.816 -4.113 -1.342 104 HB3 ARG 14 HB1 ARG 14 7.989 -4.581 0.139 105 HG2 ARG 14 HG2 ARG 14 5.923 -3.575 -0.730 106 HG3 ARG 14 HG1 ARG 14 6.781 -3.189 -2.221 107 HD2 ARG 14 HD2 ARG 14 5.528 -5.207 -2.562 108 HD3 ARG 14 HD1 ARG 14 7.244 -5.605 -2.521 109 HE ARG 14 HE ARG 14 5.799 -5.872 -0.014 110 HH11 ARG 14 HH11 ARG 14 7.061 -7.457 -2.870 111 HH12 ARG 14 HH12 ARG 14 6.997 -9.042 -2.173 112 HH21 ARG 14 HH21 ARG 14 5.709 -7.952 0.903 113 HH22 ARG 14 HH22 ARG 14 6.238 -9.324 -0.017 114 H VAL 15 HN VAL 15 7.126 -0.328 0.482 115 HA VAL 15 HA VAL 15 6.021 -1.342 3.001 116 HB VAL 15 HB VAL 15 5.477 1.008 3.529 117 HG11 VAL 15 HG11 VAL 15 7.780 1.757 3.911 118 HG12 VAL 15 HG12 VAL 15 8.359 0.525 2.792 119 HG13 VAL 15 HG13 VAL 15 7.574 0.047 4.295 120 HG21 VAL 15 HG21 VAL 15 6.890 1.613 0.934 121 HG22 VAL 15 HG22 VAL 15 6.487 2.810 2.164 122 HG23 VAL 15 HG23 VAL 15 5.202 1.942 1.328 123 H CYS 16 HN CYS 16 3.971 -1.939 3.103 124 HA CYS 16 HA CYS 16 2.216 -1.163 0.876 125 HB2 CYS 16 HB2 CYS 16 2.037 -3.570 2.697 126 HB3 CYS 16 HB1 CYS 16 0.960 -3.213 1.352 127 H HIS 17 HN HIS 17 0.642 0.195 1.291 128 HA HIS 17 HA HIS 17 -0.271 0.505 4.086 129 HB2 HIS 17 HB2 HIS 17 -0.929 2.546 2.008 130 HB3 HIS 17 HB1 HIS 17 -0.646 2.761 3.725 131 HD1 HIS 17 HD1 HIS 17 0.705 3.901 0.813 132 HD2 HIS 17 HD2 HIS 17 2.422 1.981 4.070 133 HE1 HIS 17 HE1 HIS 17 3.144 4.470 0.720 134 HE2 HIS 17 HE2 HIS 17 4.088 3.541 2.865 135 H ARG 18 HN ARG 18 -2.430 0.212 4.522 136 HA ARG 18 HA ARG 18 -4.037 -0.842 2.333 137 HB2 ARG 18 HB2 ARG 18 -3.981 -2.078 4.465 138 HB3 ARG 18 HB1 ARG 18 -4.642 -0.674 5.293 139 HG2 ARG 18 HG2 ARG 18 -6.670 -0.854 3.892 140 HG3 ARG 18 HG1 ARG 18 -6.006 -2.326 3.179 141 HD2 ARG 18 HD2 ARG 18 -5.929 -3.357 5.393 142 HD3 ARG 18 HD1 ARG 18 -6.597 -1.889 6.101 143 HE ARG 18 HE ARG 18 -8.209 -3.094 4.025 144 HH11 ARG 18 HH11 ARG 18 -7.521 -2.936 7.452 145 HH12 ARG 18 HH12 ARG 18 -9.080 -3.529 7.922 146 HH21 ARG 18 HH21 ARG 18 -10.283 -3.852 4.646 147 HH22 ARG 18 HH22 ARG 18 -10.654 -4.035 6.329 148 H ARG 19 HN ARG 19 -4.988 0.664 1.138 149 HA ARG 19 HA ARG 19 -6.280 2.916 2.534 150 HB2 ARG 19 HB2 ARG 19 -5.670 4.374 0.846 151 HB3 ARG 19 HB1 ARG 19 -4.284 3.295 0.855 152 HG2 ARG 19 HG2 ARG 19 -4.617 3.119 -1.335 153 HG3 ARG 19 HG1 ARG 19 -5.984 2.081 -0.928 154 HD2 ARG 19 HD2 ARG 19 -6.805 3.722 -2.430 155 HD3 ARG 19 HD1 ARG 19 -7.391 4.171 -0.827 156 HE ARG 19 HE ARG 19 -4.913 5.438 -1.546 157 HH11 ARG 19 HH11 ARG 19 -8.404 5.664 -1.688 158 HH12 ARG 19 HH12 ARG 19 -8.405 7.365 -2.036 159 HH21 ARG 19 HH21 ARG 19 -4.911 7.674 -1.991 160 HH22 ARG 19 HH22 ARG 19 -6.418 8.512 -2.185 161 H CYS 20 HN CYS 20 -8.225 3.738 1.428 162 HA CYS 20 HA CYS 20 -9.637 1.632 -0.063 163 HB2 CYS 20 HB2 CYS 20 -10.888 3.446 2.005 164 HB3 CYS 20 HB1 CYS 20 -11.660 2.103 1.170 165 H ASN 21 HN ASN 21 -11.504 2.535 -1.327 166 HA ASN 21 HA ASN 21 -10.680 5.071 -2.502 167 HB2 ASN 21 HB2 ASN 21 -12.424 4.515 -4.242 168 HB3 ASN 21 HB1 ASN 21 -11.081 3.388 -4.132 169 HD21 ASN 21 HD21 ASN 21 -12.442 1.902 -5.223 170 HD22 ASN 21 HD22 ASN 21 -13.656 1.020 -4.367
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