NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621897 | 5wcv | 30315 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 HT1 CYS 1 5.458 -1.327 -0.161 2 H2 CYS 1 HT2 CYS 1 5.268 -0.601 -1.687 3 H3 CYS 1 HT3 CYS 1 6.668 -0.299 -0.771 4 HA CYS 1 HA CYS 1 7.676 -1.970 -1.717 5 HB2 CYS 1 HB2 CYS 1 6.790 -4.347 -1.402 6 HB3 CYS 1 HB1 CYS 1 6.926 -3.397 0.116 7 H GLU 2 H GLU 2 7.831 -3.301 -3.698 8 HA GLU 2 HA GLU 2 5.450 -3.587 -5.244 9 HB2 GLU 2 HB3 GLU 2 6.194 -2.263 -7.209 10 HB3 GLU 2 HB2 GLU 2 5.992 -1.182 -5.783 11 HG2 GLU 2 HG2 GLU 2 8.496 -1.325 -5.346 12 HG3 GLU 2 HG1 GLU 2 8.663 -2.306 -6.856 13 H ASN 3 H ASN 3 6.269 -4.437 -7.602 14 HA ASN 3 HA ASN 3 8.013 -6.590 -6.911 15 HB2 ASN 3 HB2 ASN 3 7.954 -6.871 -9.595 16 HB3 ASN 3 HB1 ASN 3 6.526 -7.329 -8.602 17 HD21 ASN 3 HD21 ASN 3 4.778 -6.847 -9.861 18 HD22 ASN 3 HD22 ASN 3 4.471 -5.313 -10.602 19 H THR 4 H THR 4 10.163 -7.005 -7.918 20 HA THR 4 HA THR 4 11.477 -4.429 -8.396 21 HB THR 4 HB THR 4 13.616 -5.697 -8.094 22 HG1 THR 4 HG1 THR 4 12.784 -7.870 -6.985 23 HG21 THR 4 HG21 THR 4 13.392 -5.985 -5.678 24 HG22 THR 4 HG22 THR 4 11.610 -6.237 -5.815 25 HG23 THR 4 HG23 THR 4 12.322 -4.614 -6.160 26 H ILE 5 H ILE 5 9.941 -6.841 -10.147 27 HA ILE 5 HA ILE 5 11.709 -6.261 -12.407 28 HB ILE 5 HB ILE 5 11.238 -8.550 -13.318 29 HG12 ILE 5 HG12 ILE 5 10.199 -9.116 -10.469 30 HG13 ILE 5 HG11 ILE 5 9.139 -8.864 -11.898 31 HG21 ILE 5 HG21 ILE 5 13.012 -9.587 -12.064 32 HG22 ILE 5 HG22 ILE 5 12.580 -8.706 -10.550 33 HG23 ILE 5 HG23 ILE 5 13.325 -7.815 -11.932 34 HD11 ILE 5 HD11 ILE 5 9.822 -11.336 -11.164 35 HD12 ILE 5 HD12 ILE 5 11.353 -10.965 -12.045 36 HD13 ILE 5 HD13 ILE 5 9.773 -10.899 -12.913 37 H SER 6 H SER 6 10.500 -6.621 -14.560 38 HA SER 6 HA SER 6 7.705 -5.874 -14.074 39 HB2 SER 6 HB3 SER 6 9.310 -4.243 -15.417 40 HB3 SER 6 HB2 SER 6 9.178 -5.479 -16.732 41 HG SER 6 HG SER 6 7.543 -3.554 -16.243 42 H GLY 7 H GLY 7 6.392 -6.508 -16.338 43 HA2 GLY 7 HA2 GLY 7 5.654 -8.205 -17.606 44 HA3 GLY 7 HA1 GLY 7 7.302 -8.964 -17.451 45 H CYS 8 H CYS 8 5.225 -7.924 -14.741 46 HA CYS 8 HA CYS 8 5.453 -10.584 -13.688 47 HB2 CYS 8 HB2 CYS 8 4.069 -8.043 -12.669 48 HB3 CYS 8 HB1 CYS 8 3.973 -9.618 -11.813 49 H SER 9 H SER 9 3.661 -11.999 -13.215 50 HA SER 9 HA SER 9 1.163 -11.199 -14.477 51 HB2 SER 9 HB2 SER 9 2.577 -13.902 -14.952 52 HB3 SER 9 HB1 SER 9 0.896 -13.499 -15.486 53 HG SER 9 HG SER 9 2.772 -11.647 -16.221 54 H ARG 10 H ARG 10 -0.684 -12.599 -13.652 55 HA ARG 10 HA ARG 10 -0.311 -12.975 -10.864 56 HB2 ARG 10 HB3 ARG 10 -2.618 -13.754 -10.777 57 HB3 ARG 10 HB2 ARG 10 -2.558 -12.389 -11.943 58 HG2 ARG 10 HG2 ARG 10 -2.255 -14.187 -13.799 59 HG3 ARG 10 HG1 ARG 10 -2.723 -15.392 -12.549 60 HD2 ARG 10 HD3 ARG 10 -4.751 -14.782 -13.807 61 HD3 ARG 10 HD2 ARG 10 -4.878 -13.992 -12.171 62 HE ARG 10 HE ARG 10 -3.576 -12.233 -14.106 63 HH11 ARG 10 HH11 ARG 10 -6.682 -13.588 -13.007 64 HH12 ARG 10 HH12 ARG 10 -7.634 -12.243 -13.538 65 HH21 ARG 10 HH21 ARG 10 -4.876 -10.397 -14.829 66 HH22 ARG 10 HH22 ARG 10 -6.591 -10.400 -14.590 67 H ALA 11 H ALA 11 0.281 -14.907 -13.705 68 HA ALA 11 HA ALA 11 -0.048 -17.404 -12.334 69 HB1 ALA 11 HB1 ALA 11 -0.290 -17.273 -14.865 70 HB2 ALA 11 HB2 ALA 11 0.981 -18.449 -14.353 71 HB3 ALA 11 HB3 ALA 11 1.454 -16.816 -14.960 72 H ASP 12 H ASP 12 2.228 -14.841 -12.283 73 HA ASP 12 HA ASP 12 4.512 -16.564 -11.932 74 HB2 ASP 12 HB2 ASP 12 4.081 -13.695 -12.316 75 HB3 ASP 12 HB1 ASP 12 5.025 -13.950 -10.812 76 H CYS 13 H CYS 13 1.785 -15.546 -10.100 77 HA CYS 13 HA CYS 13 3.158 -15.474 -7.573 78 HB2 CYS 13 HB2 CYS 13 0.868 -14.307 -8.140 79 HB3 CYS 13 HB1 CYS 13 0.165 -15.947 -7.990 80 H LEU 14 H LEU 14 2.072 -17.854 -9.821 81 HA LEU 14 HA LEU 14 1.607 -19.822 -7.758 82 HB2 LEU 14 HB3 LEU 14 1.776 -20.065 -10.821 83 HB3 LEU 14 HB2 LEU 14 1.384 -21.424 -9.706 84 HG LEU 14 HG LEU 14 -0.242 -18.842 -9.705 85 HD11 LEU 14 HD11 LEU 14 -0.113 -20.832 -11.859 86 HD12 LEU 14 HD12 LEU 14 -1.043 -19.288 -11.764 87 HD13 LEU 14 HD13 LEU 14 -1.752 -20.811 -11.106 88 HD21 LEU 14 HD21 LEU 14 -0.604 -21.666 -8.593 89 HD22 LEU 14 HD22 LEU 14 -2.046 -20.648 -8.971 90 HD23 LEU 14 HD23 LEU 14 -0.819 -20.068 -7.780 91 H LEU 15 H LEU 15 4.288 -18.286 -9.125 92 HA LEU 15 HA LEU 15 5.875 -20.742 -8.913 93 HB2 LEU 15 HB2 LEU 15 6.652 -18.018 -10.116 94 HB3 LEU 15 HB1 LEU 15 7.691 -19.482 -10.072 95 HG LEU 15 HG LEU 15 5.025 -19.211 -11.560 96 HD11 LEU 15 HD11 LEU 15 7.347 -18.067 -12.380 97 HD12 LEU 15 HD12 LEU 15 6.175 -18.814 -13.530 98 HD13 LEU 15 HD13 LEU 15 7.637 -19.733 -13.007 99 HD21 LEU 15 HD21 LEU 15 5.960 -21.466 -12.630 100 HD22 LEU 15 HD22 LEU 15 5.082 -21.505 -11.054 101 HD23 LEU 15 HD23 LEU 15 6.885 -21.588 -11.085 102 H THR 16 H THR 16 7.524 -20.853 -7.322 103 HA THR 16 HA THR 16 7.357 -18.660 -5.415 104 HB THR 16 HB THR 16 8.531 -20.188 -3.857 105 HG1 THR 16 HG1 THR 16 8.593 -22.427 -4.747 106 HG21 THR 16 HG21 THR 16 6.658 -21.609 -3.435 107 HG22 THR 16 HG22 THR 16 6.256 -21.747 -5.189 108 HG23 THR 16 HG23 THR 16 5.947 -20.201 -4.309 109 H HIS 17 H HIS 17 9.152 -19.578 -8.112 110 HA HIS 17 HA HIS 17 11.623 -18.574 -6.902 111 HB2 HIS 17 HB2 HIS 17 11.152 -19.969 -9.603 112 HB3 HIS 17 HB1 HIS 17 12.749 -19.355 -9.029 113 HD2 HIS 17 HD2 HIS 17 10.123 -22.230 -8.014 114 HE1 HIS 17 HE1 HIS 17 13.980 -23.152 -6.540 115 HE2 HIS 17 HE2 HIS 17 11.585 -23.962 -6.820 116 H ARG 18 H ARG 18 8.879 -17.338 -8.206 117 HA ARG 18 HA ARG 18 10.428 -15.236 -9.519 118 HB2 ARG 18 HB2 ARG 18 7.883 -16.597 -10.530 119 HB3 ARG 18 HB1 ARG 18 8.322 -14.928 -11.026 120 HG2 ARG 18 HG2 ARG 18 10.333 -17.205 -11.335 121 HG3 ARG 18 HG1 ARG 18 9.026 -16.971 -12.546 122 HD2 ARG 18 HD2 ARG 18 10.977 -14.711 -11.716 123 HD3 ARG 18 HD1 ARG 18 11.240 -15.813 -13.141 124 HE ARG 18 HE ARG 18 8.582 -14.714 -13.298 125 HH11 ARG 18 HH11 ARG 18 12.021 -13.809 -13.492 126 HH12 ARG 18 HH12 ARG 18 11.772 -12.496 -14.593 127 HH21 ARG 18 HH21 ARG 18 8.242 -12.922 -14.799 128 HH22 ARG 18 HH22 ARG 18 9.591 -11.983 -15.347 129 H LYS 19 H LYS 19 8.181 -16.275 -7.126 130 HA LYS 19 HA LYS 19 6.542 -13.963 -7.143 131 HB2 LYS 19 HB3 LYS 19 5.769 -14.656 -4.923 132 HB3 LYS 19 HB2 LYS 19 5.870 -16.107 -5.977 133 HG2 LYS 19 HG2 LYS 19 8.136 -16.630 -5.007 134 HG3 LYS 19 HG1 LYS 19 7.964 -15.221 -3.905 135 HD2 LYS 19 HD2 LYS 19 5.896 -16.256 -2.945 136 HD3 LYS 19 HD1 LYS 19 6.108 -17.675 -4.017 137 HE2 LYS 19 HE3 LYS 19 8.316 -18.171 -2.925 138 HE3 LYS 19 HE2 LYS 19 8.097 -16.737 -1.838 139 HZ1 LYS 19 HZ1 LYS 19 7.246 -19.280 -1.384 140 HZ2 LYS 19 HZ2 LYS 19 5.824 -18.482 -1.858 141 HZ3 LYS 19 HZ3 LYS 19 6.743 -17.882 -0.562 142 H GLN 20 H GLN 20 9.807 -14.716 -6.098 143 HA GLN 20 HA GLN 20 9.939 -12.746 -4.076 144 HB2 GLN 20 HB2 GLN 20 12.133 -13.975 -5.847 145 HB3 GLN 20 HB1 GLN 20 12.465 -12.831 -4.497 146 HG2 GLN 20 HG3 GLN 20 11.440 -14.433 -2.854 147 HG3 GLN 20 HG2 GLN 20 11.101 -15.588 -4.208 148 HE21 GLN 20 HE21 GLN 20 12.521 -17.257 -3.762 149 HE22 GLN 20 HE22 GLN 20 14.240 -17.081 -3.669 150 H GLY 21 H GLY 21 10.546 -12.809 -7.647 151 HA2 GLY 21 HA2 GLY 21 11.416 -10.079 -7.613 152 HA3 GLY 21 HA1 GLY 21 11.019 -11.119 -9.055 153 H CYS 22 H CYS 22 8.413 -11.916 -8.507 154 HA CYS 22 HA CYS 22 7.077 -9.305 -8.638 155 HB2 CYS 22 HB2 CYS 22 6.159 -12.077 -9.587 156 HB3 CYS 22 HB1 CYS 22 5.158 -10.590 -9.654 157 H GLN 23 H GLN 23 7.019 -9.031 -6.316 158 HA GLN 23 HA GLN 23 5.509 -11.113 -4.948 159 HB2 GLN 23 HB2 GLN 23 6.353 -10.300 -2.908 160 HB3 GLN 23 HB1 GLN 23 7.713 -9.935 -4.010 161 HG2 GLN 23 HG2 GLN 23 6.572 -7.582 -4.340 162 HG3 GLN 23 HG1 GLN 23 5.627 -8.006 -2.859 163 HE21 GLN 23 HE21 GLN 23 8.935 -7.550 -4.187 164 HE22 GLN 23 HE22 GLN 23 9.715 -7.289 -2.668 165 H LYS 24 H LYS 24 5.342 -7.826 -6.244 166 HA LYS 24 HA LYS 24 3.090 -7.063 -4.693 167 HB2 LYS 24 HB2 LYS 24 4.555 -5.371 -5.873 168 HB3 LYS 24 HB1 LYS 24 3.987 -6.036 -7.444 169 HG2 LYS 24 HG2 LYS 24 1.638 -5.401 -6.875 170 HG3 LYS 24 HG1 LYS 24 2.198 -4.738 -5.300 171 HD2 LYS 24 HD2 LYS 24 3.635 -3.086 -6.509 172 HD3 LYS 24 HD1 LYS 24 3.085 -3.754 -8.084 173 HE2 LYS 24 HE3 LYS 24 0.724 -3.083 -7.549 174 HE3 LYS 24 HE2 LYS 24 1.277 -2.415 -5.956 175 HZ1 LYS 24 HZ1 LYS 24 2.733 -1.483 -8.285 176 HZ2 LYS 24 HZ2 LYS 24 2.141 -0.639 -6.936 177 HZ3 LYS 24 HZ3 LYS 24 1.100 -1.025 -8.221 178 H THR 25 H THR 25 3.624 -8.736 -7.833 179 HA THR 25 HA THR 25 0.814 -8.614 -8.443 180 HB THR 25 HB THR 25 2.961 -8.963 -10.080 181 HG1 THR 25 HG1 THR 25 0.470 -8.934 -10.344 182 HG21 THR 25 HG21 THR 25 3.307 -11.293 -10.651 183 HG22 THR 25 HG22 THR 25 1.901 -11.827 -9.656 184 HG23 THR 25 HG23 THR 25 3.397 -11.214 -8.852 185 H CYS 26 H CYS 26 2.978 -10.597 -6.542 186 HA CYS 26 HA CYS 26 1.293 -12.904 -6.722 187 HB2 CYS 26 HB2 CYS 26 3.905 -12.694 -6.041 188 HB3 CYS 26 HB1 CYS 26 3.196 -12.472 -4.415 189 H GLY 27 H GLY 27 1.740 -10.025 -4.623 190 HA2 GLY 27 HA2 GLY 27 -0.054 -9.156 -3.426 191 HA3 GLY 27 HA1 GLY 27 -0.757 -10.831 -3.314 192 H LEU 28 H LEU 28 2.649 -10.801 -2.937 193 HA LEU 28 HA LEU 28 2.418 -11.689 -0.275 194 HB2 LEU 28 HB2 LEU 28 4.844 -10.650 -1.855 195 HB3 LEU 28 HB1 LEU 28 4.957 -11.325 -0.190 196 HG LEU 28 HG LEU 28 3.803 -12.851 -2.579 197 HD11 LEU 28 HD11 LEU 28 6.647 -12.442 -1.688 198 HD12 LEU 28 HD12 LEU 28 5.979 -12.889 -3.304 199 HD13 LEU 28 HD13 LEU 28 6.171 -14.149 -2.027 200 HD21 LEU 28 HD21 LEU 28 4.317 -13.531 0.345 201 HD22 LEU 28 HD22 LEU 28 4.498 -14.825 -0.901 202 HD23 LEU 28 HD23 LEU 28 2.924 -13.960 -0.719 203 H CYS 29 H CYS 29 3.164 -8.534 -1.844 204 HA CYS 29 HA CYS 29 2.597 -7.307 0.731 205 HB2 CYS 29 HB2 CYS 29 5.145 -7.476 0.594 206 HB3 CYS 29 HB1 CYS 29 5.059 -6.567 -0.954 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 5.489 -1.261 -0.120 2 H2 CYS 1 HT2 CYS 1 5.130 -0.622 -1.655 3 H3 CYS 1 HT3 CYS 1 6.573 -0.185 -0.870 4 HA CYS 1 HA CYS 1 7.637 -1.868 -1.733 5 HB2 CYS 1 HB2 CYS 1 6.807 -4.267 -1.421 6 HB3 CYS 1 HB1 CYS 1 6.934 -3.318 0.097 7 H GLU 2 H GLU 2 7.801 -3.242 -3.703 8 HA GLU 2 HA GLU 2 5.421 -3.545 -5.245 9 HB2 GLU 2 HB3 GLU 2 6.169 -2.238 -7.226 10 HB3 GLU 2 HB2 GLU 2 5.940 -1.148 -5.812 11 HG2 GLU 2 HG2 GLU 2 8.440 -1.250 -5.351 12 HG3 GLU 2 HG1 GLU 2 8.636 -2.248 -6.846 13 H ASN 3 H ASN 3 6.248 -4.396 -7.606 14 HA ASN 3 HA ASN 3 7.983 -6.553 -6.908 15 HB2 ASN 3 HB2 ASN 3 7.938 -6.825 -9.594 16 HB3 ASN 3 HB1 ASN 3 6.506 -7.287 -8.608 17 HD21 ASN 3 HD21 ASN 3 4.734 -6.776 -9.811 18 HD22 ASN 3 HD22 ASN 3 4.440 -5.247 -10.570 19 H THR 4 H THR 4 10.134 -6.982 -7.925 20 HA THR 4 HA THR 4 11.461 -4.408 -8.397 21 HB THR 4 HB THR 4 13.595 -5.679 -8.069 22 HG1 THR 4 HG1 THR 4 12.753 -7.843 -6.951 23 HG21 THR 4 HG21 THR 4 13.371 -5.908 -5.661 24 HG22 THR 4 HG22 THR 4 11.600 -6.232 -5.787 25 HG23 THR 4 HG23 THR 4 12.245 -4.587 -6.155 26 H ILE 5 H ILE 5 9.937 -6.847 -10.137 27 HA ILE 5 HA ILE 5 11.718 -6.282 -12.392 28 HB ILE 5 HB ILE 5 11.281 -8.576 -13.286 29 HG12 ILE 5 HG12 ILE 5 10.158 -9.114 -10.462 30 HG13 ILE 5 HG11 ILE 5 9.148 -8.900 -11.932 31 HG21 ILE 5 HG21 ILE 5 13.032 -9.594 -11.997 32 HG22 ILE 5 HG22 ILE 5 12.550 -8.733 -10.485 33 HG23 ILE 5 HG23 ILE 5 13.325 -7.822 -11.837 34 HD11 ILE 5 HD11 ILE 5 10.212 -10.877 -13.001 35 HD12 ILE 5 HD12 ILE 5 9.530 -11.326 -11.393 36 HD13 ILE 5 HD13 ILE 5 11.307 -11.078 -11.582 37 H SER 6 H SER 6 10.522 -6.687 -14.554 38 HA SER 6 HA SER 6 7.730 -5.909 -14.099 39 HB2 SER 6 HB3 SER 6 9.368 -4.344 -15.492 40 HB3 SER 6 HB2 SER 6 9.202 -5.616 -16.770 41 HG SER 6 HG SER 6 7.668 -3.716 -16.613 42 H GLY 7 H GLY 7 6.441 -6.585 -16.382 43 HA2 GLY 7 HA2 GLY 7 5.695 -8.308 -17.608 44 HA3 GLY 7 HA1 GLY 7 7.320 -9.098 -17.388 45 H CYS 8 H CYS 8 5.221 -7.919 -14.753 46 HA CYS 8 HA CYS 8 5.369 -10.535 -13.596 47 HB2 CYS 8 HB2 CYS 8 3.946 -7.955 -12.733 48 HB3 CYS 8 HB1 CYS 8 3.834 -9.493 -11.813 49 H SER 9 H SER 9 3.566 -11.943 -13.165 50 HA SER 9 HA SER 9 1.098 -11.174 -14.500 51 HB2 SER 9 HB2 SER 9 2.552 -13.858 -14.966 52 HB3 SER 9 HB1 SER 9 0.877 -13.472 -15.530 53 HG SER 9 HG SER 9 2.656 -11.555 -16.237 54 H ARG 10 H ARG 10 -0.742 -12.657 -13.756 55 HA ARG 10 HA ARG 10 -0.467 -13.007 -10.956 56 HB2 ARG 10 HB3 ARG 10 -2.745 -13.906 -10.967 57 HB3 ARG 10 HB2 ARG 10 -2.693 -12.508 -12.096 58 HG2 ARG 10 HG2 ARG 10 -2.239 -14.245 -13.981 59 HG3 ARG 10 HG1 ARG 10 -2.713 -15.498 -12.783 60 HD2 ARG 10 HD3 ARG 10 -4.712 -14.944 -14.100 61 HD3 ARG 10 HD2 ARG 10 -4.933 -14.175 -12.464 62 HE ARG 10 HE ARG 10 -3.617 -12.340 -14.305 63 HH11 ARG 10 HH11 ARG 10 -6.719 -13.861 -13.438 64 HH12 ARG 10 HH12 ARG 10 -7.698 -12.558 -14.020 65 HH21 ARG 10 HH21 ARG 10 -4.955 -10.560 -15.099 66 HH22 ARG 10 HH22 ARG 10 -6.680 -10.652 -14.978 67 H ALA 11 H ALA 11 0.153 -14.990 -13.801 68 HA ALA 11 HA ALA 11 -0.040 -17.455 -12.356 69 HB1 ALA 11 HB1 ALA 11 -0.320 -17.410 -14.881 70 HB2 ALA 11 HB2 ALA 11 1.015 -18.509 -14.363 71 HB3 ALA 11 HB3 ALA 11 1.396 -16.871 -15.019 72 H ASP 12 H ASP 12 2.122 -14.811 -12.355 73 HA ASP 12 HA ASP 12 4.496 -16.411 -12.039 74 HB2 ASP 12 HB2 ASP 12 4.195 -13.795 -12.793 75 HB3 ASP 12 HB1 ASP 12 4.382 -13.560 -11.020 76 H CYS 13 H CYS 13 1.748 -15.500 -10.145 77 HA CYS 13 HA CYS 13 3.174 -15.429 -7.642 78 HB2 CYS 13 HB2 CYS 13 0.870 -14.272 -8.143 79 HB3 CYS 13 HB1 CYS 13 0.178 -15.918 -8.010 80 H LEU 14 H LEU 14 2.099 -17.806 -9.889 81 HA LEU 14 HA LEU 14 1.660 -19.789 -7.831 82 HB2 LEU 14 HB3 LEU 14 1.799 -20.000 -10.895 83 HB3 LEU 14 HB2 LEU 14 1.461 -21.385 -9.794 84 HG LEU 14 HG LEU 14 -0.226 -18.843 -9.742 85 HD11 LEU 14 HD11 LEU 14 -0.265 -21.094 -11.752 86 HD12 LEU 14 HD12 LEU 14 -0.746 -19.362 -11.921 87 HD13 LEU 14 HD13 LEU 14 -1.856 -20.534 -11.114 88 HD21 LEU 14 HD21 LEU 14 -0.410 -21.624 -8.538 89 HD22 LEU 14 HD22 LEU 14 -1.944 -20.804 -9.021 90 HD23 LEU 14 HD23 LEU 14 -0.835 -20.017 -7.834 91 H LEU 15 H LEU 15 4.330 -18.227 -9.171 92 HA LEU 15 HA LEU 15 5.926 -20.681 -9.049 93 HB2 LEU 15 HB2 LEU 15 6.676 -17.880 -10.080 94 HB3 LEU 15 HB1 LEU 15 7.766 -19.309 -10.067 95 HG LEU 15 HG LEU 15 5.126 -19.100 -11.610 96 HD11 LEU 15 HD11 LEU 15 7.039 -17.626 -12.462 97 HD12 LEU 15 HD12 LEU 15 6.427 -18.847 -13.639 98 HD13 LEU 15 HD13 LEU 15 7.980 -19.135 -12.766 99 HD21 LEU 15 HD21 LEU 15 5.346 -21.411 -11.223 100 HD22 LEU 15 HD22 LEU 15 7.150 -21.361 -11.246 101 HD23 LEU 15 HD23 LEU 15 6.224 -21.216 -12.787 102 H THR 16 H THR 16 7.499 -20.919 -7.409 103 HA THR 16 HA THR 16 7.311 -18.842 -5.378 104 HB THR 16 HB THR 16 8.429 -20.475 -3.888 105 HG1 THR 16 HG1 THR 16 8.520 -22.651 -4.911 106 HG21 THR 16 HG21 THR 16 6.545 -21.932 -3.625 107 HG22 THR 16 HG22 THR 16 6.185 -21.923 -5.394 108 HG23 THR 16 HG23 THR 16 5.862 -20.452 -4.398 109 H HIS 17 H HIS 17 9.181 -19.600 -8.082 110 HA HIS 17 HA HIS 17 11.601 -18.630 -6.733 111 HB2 HIS 17 HB2 HIS 17 11.273 -20.050 -9.442 112 HB3 HIS 17 HB1 HIS 17 12.834 -19.391 -8.818 113 HD2 HIS 17 HD2 HIS 17 10.261 -22.341 -7.916 114 HE1 HIS 17 HE1 HIS 17 14.047 -23.102 -6.189 115 HE2 HIS 17 HE2 HIS 17 11.707 -24.005 -6.613 116 H ARG 18 H ARG 18 8.932 -17.383 -8.136 117 HA ARG 18 HA ARG 18 10.537 -15.287 -9.390 118 HB2 ARG 18 HB2 ARG 18 8.026 -16.629 -10.500 119 HB3 ARG 18 HB1 ARG 18 8.500 -14.970 -10.978 120 HG2 ARG 18 HG2 ARG 18 10.528 -17.228 -11.198 121 HG3 ARG 18 HG1 ARG 18 9.244 -17.059 -12.442 122 HD2 ARG 18 HD2 ARG 18 11.143 -14.745 -11.634 123 HD3 ARG 18 HD1 ARG 18 11.430 -15.866 -13.039 124 HE ARG 18 HE ARG 18 8.754 -14.796 -13.222 125 HH11 ARG 18 HH11 ARG 18 12.191 -13.877 -13.441 126 HH12 ARG 18 HH12 ARG 18 11.935 -12.592 -14.574 127 HH21 ARG 18 HH21 ARG 18 8.408 -13.043 -14.769 128 HH22 ARG 18 HH22 ARG 18 9.751 -12.110 -15.340 129 H LYS 19 H LYS 19 8.227 -16.320 -7.073 130 HA LYS 19 HA LYS 19 6.551 -14.045 -7.145 131 HB2 LYS 19 HB3 LYS 19 5.795 -14.706 -4.895 132 HB3 LYS 19 HB2 LYS 19 5.890 -16.160 -5.947 133 HG2 LYS 19 HG2 LYS 19 8.159 -16.682 -4.992 134 HG3 LYS 19 HG1 LYS 19 8.002 -15.265 -3.897 135 HD2 LYS 19 HD2 LYS 19 5.951 -16.288 -2.900 136 HD3 LYS 19 HD1 LYS 19 6.131 -17.708 -3.977 137 HE2 LYS 19 HE3 LYS 19 8.350 -18.229 -2.924 138 HE3 LYS 19 HE2 LYS 19 8.170 -16.790 -1.836 139 HZ1 LYS 19 HZ1 LYS 19 6.793 -17.895 -0.544 140 HZ2 LYS 19 HZ2 LYS 19 7.321 -19.305 -1.328 141 HZ3 LYS 19 HZ3 LYS 19 5.889 -18.542 -1.828 142 H GLN 20 H GLN 20 9.819 -14.693 -6.045 143 HA GLN 20 HA GLN 20 9.864 -12.663 -4.073 144 HB2 GLN 20 HB2 GLN 20 12.116 -13.930 -5.740 145 HB3 GLN 20 HB1 GLN 20 12.404 -12.720 -4.438 146 HG2 GLN 20 HG3 GLN 20 11.498 -14.231 -2.716 147 HG3 GLN 20 HG2 GLN 20 10.968 -15.414 -3.981 148 HE21 GLN 20 HE21 GLN 20 12.925 -15.775 -1.733 149 HE22 GLN 20 HE22 GLN 20 14.413 -16.257 -2.471 150 H GLY 21 H GLY 21 10.529 -12.837 -7.626 151 HA2 GLY 21 HA2 GLY 21 11.427 -10.127 -7.696 152 HA3 GLY 21 HA1 GLY 21 10.964 -11.194 -9.095 153 H CYS 22 H CYS 22 8.361 -11.893 -8.552 154 HA CYS 22 HA CYS 22 7.091 -9.246 -8.629 155 HB2 CYS 22 HB2 CYS 22 6.131 -11.977 -9.652 156 HB3 CYS 22 HB1 CYS 22 5.123 -10.492 -9.638 157 H GLN 23 H GLN 23 7.058 -9.020 -6.303 158 HA GLN 23 HA GLN 23 5.532 -11.096 -4.951 159 HB2 GLN 23 HB2 GLN 23 6.375 -10.284 -2.908 160 HB3 GLN 23 HB1 GLN 23 7.736 -9.928 -4.012 161 HG2 GLN 23 HG2 GLN 23 6.611 -7.569 -4.344 162 HG3 GLN 23 HG1 GLN 23 5.662 -7.985 -2.862 163 HE21 GLN 23 HE21 GLN 23 8.940 -7.436 -4.190 164 HE22 GLN 23 HE22 GLN 23 9.734 -7.223 -2.671 165 H LYS 24 H LYS 24 5.352 -7.807 -6.233 166 HA LYS 24 HA LYS 24 3.111 -7.046 -4.668 167 HB2 LYS 24 HB2 LYS 24 4.562 -5.351 -5.855 168 HB3 LYS 24 HB1 LYS 24 3.992 -6.019 -7.423 169 HG2 LYS 24 HG2 LYS 24 1.642 -5.390 -6.847 170 HG3 LYS 24 HG1 LYS 24 2.207 -4.722 -5.277 171 HD2 LYS 24 HD2 LYS 24 3.633 -3.068 -6.494 172 HD3 LYS 24 HD1 LYS 24 3.083 -3.743 -8.066 173 HE2 LYS 24 HE3 LYS 24 0.722 -3.078 -7.530 174 HE3 LYS 24 HE2 LYS 24 1.273 -2.404 -5.940 175 HZ1 LYS 24 HZ1 LYS 24 2.714 -1.476 -8.286 176 HZ2 LYS 24 HZ2 LYS 24 2.146 -0.631 -6.926 177 HZ3 LYS 24 HZ3 LYS 24 1.083 -1.012 -8.196 178 H THR 25 H THR 25 3.620 -8.721 -7.808 179 HA THR 25 HA THR 25 0.800 -8.598 -8.386 180 HB THR 25 HB THR 25 2.933 -8.926 -10.049 181 HG1 THR 25 HG1 THR 25 0.440 -8.883 -10.287 182 HG21 THR 25 HG21 THR 25 3.374 -11.195 -8.856 183 HG22 THR 25 HG22 THR 25 3.266 -11.250 -10.655 184 HG23 THR 25 HG23 THR 25 1.868 -11.792 -9.652 185 H CYS 26 H CYS 26 2.994 -10.586 -6.524 186 HA CYS 26 HA CYS 26 1.319 -12.899 -6.713 187 HB2 CYS 26 HB2 CYS 26 3.937 -12.679 -6.051 188 HB3 CYS 26 HB1 CYS 26 3.237 -12.492 -4.416 189 H GLY 27 H GLY 27 1.783 -10.046 -4.576 190 HA2 GLY 27 HA2 GLY 27 -0.022 -9.200 -3.365 191 HA3 GLY 27 HA1 GLY 27 -0.700 -10.885 -3.251 192 H LEU 28 H LEU 28 2.711 -10.801 -2.907 193 HA LEU 28 HA LEU 28 2.514 -11.696 -0.241 194 HB2 LEU 28 HB2 LEU 28 4.916 -10.637 -1.843 195 HB3 LEU 28 HB1 LEU 28 5.050 -11.312 -0.181 196 HG LEU 28 HG LEU 28 3.888 -12.844 -2.563 197 HD11 LEU 28 HD11 LEU 28 6.729 -12.377 -1.731 198 HD12 LEU 28 HD12 LEU 28 6.046 -12.919 -3.312 199 HD13 LEU 28 HD13 LEU 28 6.292 -14.110 -1.979 200 HD21 LEU 28 HD21 LEU 28 4.448 -13.535 0.354 201 HD22 LEU 28 HD22 LEU 28 4.594 -14.819 -0.905 202 HD23 LEU 28 HD23 LEU 28 3.030 -13.947 -0.683 203 H CYS 29 H CYS 29 3.218 -8.536 -1.821 204 HA CYS 29 HA CYS 29 2.682 -7.315 0.767 205 HB2 CYS 29 HB2 CYS 29 5.231 -7.444 0.554 206 HB3 CYS 29 HB1 CYS 29 5.082 -6.527 -0.985 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 4.040 -2.285 -1.754 2 H2 CYS 1 HT2 CYS 1 5.277 -1.192 -1.354 3 H3 CYS 1 HT3 CYS 1 4.808 -2.386 -0.240 4 HA CYS 1 HA CYS 1 6.925 -2.667 -1.687 5 HB2 CYS 1 HB2 CYS 1 4.881 -4.935 -1.359 6 HB3 CYS 1 HB1 CYS 1 6.653 -5.141 -1.567 7 H GLU 2 H GLU 2 7.494 -2.438 -3.827 8 HA GLU 2 HA GLU 2 5.451 -3.235 -5.751 9 HB2 GLU 2 HB3 GLU 2 7.945 -1.470 -5.993 10 HB3 GLU 2 HB2 GLU 2 7.049 -2.079 -7.433 11 HG2 GLU 2 HG2 GLU 2 5.019 -0.874 -6.794 12 HG3 GLU 2 HG1 GLU 2 5.732 -0.427 -5.200 13 H ASN 3 H ASN 3 6.471 -4.211 -7.863 14 HA ASN 3 HA ASN 3 8.001 -6.459 -6.925 15 HB2 ASN 3 HB2 ASN 3 8.056 -6.859 -9.609 16 HB3 ASN 3 HB1 ASN 3 6.588 -7.247 -8.643 17 HD21 ASN 3 HD21 ASN 3 4.848 -6.745 -9.892 18 HD22 ASN 3 HD22 ASN 3 4.611 -5.251 -10.735 19 H THR 4 H THR 4 10.126 -7.088 -8.039 20 HA THR 4 HA THR 4 11.632 -4.600 -8.428 21 HB THR 4 HB THR 4 13.672 -6.017 -8.112 22 HG1 THR 4 HG1 THR 4 12.531 -8.136 -7.046 23 HG21 THR 4 HG21 THR 4 12.385 -4.883 -6.183 24 HG22 THR 4 HG22 THR 4 13.407 -6.293 -5.711 25 HG23 THR 4 HG23 THR 4 11.619 -6.484 -5.862 26 H ILE 5 H ILE 5 9.954 -6.873 -10.238 27 HA ILE 5 HA ILE 5 11.772 -6.360 -12.471 28 HB ILE 5 HB ILE 5 11.165 -8.626 -13.412 29 HG12 ILE 5 HG12 ILE 5 10.275 -9.190 -10.515 30 HG13 ILE 5 HG11 ILE 5 9.137 -8.875 -11.870 31 HG21 ILE 5 HG21 ILE 5 12.934 -9.755 -12.172 32 HG22 ILE 5 HG22 ILE 5 12.666 -8.723 -10.717 33 HG23 ILE 5 HG23 ILE 5 13.353 -8.001 -12.221 34 HD11 ILE 5 HD11 ILE 5 9.725 -11.377 -11.248 35 HD12 ILE 5 HD12 ILE 5 11.263 -11.064 -12.137 36 HD13 ILE 5 HD13 ILE 5 9.680 -10.900 -12.987 37 H SER 6 H SER 6 10.574 -6.683 -14.636 38 HA SER 6 HA SER 6 7.806 -5.820 -14.184 39 HB2 SER 6 HB3 SER 6 9.714 -5.328 -16.552 40 HB3 SER 6 HB2 SER 6 7.951 -4.921 -16.584 41 HG SER 6 HG SER 6 9.311 -4.021 -14.370 42 H GLY 7 H GLY 7 6.379 -6.456 -16.284 43 HA2 GLY 7 HA2 GLY 7 5.595 -8.104 -17.598 44 HA3 GLY 7 HA1 GLY 7 7.236 -8.891 -17.513 45 H CYS 8 H CYS 8 5.182 -7.873 -14.761 46 HA CYS 8 HA CYS 8 5.448 -10.536 -13.722 47 HB2 CYS 8 HB2 CYS 8 4.048 -8.015 -12.678 48 HB3 CYS 8 HB1 CYS 8 3.972 -9.596 -11.832 49 H SER 9 H SER 9 3.667 -11.969 -13.242 50 HA SER 9 HA SER 9 1.158 -11.185 -14.503 51 HB2 SER 9 HB2 SER 9 2.581 -13.889 -14.948 52 HB3 SER 9 HB1 SER 9 0.898 -13.497 -15.488 53 HG SER 9 HG SER 9 2.746 -11.637 -16.248 54 H ARG 10 H ARG 10 -0.682 -12.594 -13.667 55 HA ARG 10 HA ARG 10 -0.308 -12.937 -10.875 56 HB2 ARG 10 HB3 ARG 10 -2.611 -13.704 -10.773 57 HB3 ARG 10 HB2 ARG 10 -2.558 -12.374 -11.977 58 HG2 ARG 10 HG2 ARG 10 -2.255 -14.218 -13.783 59 HG3 ARG 10 HG1 ARG 10 -2.705 -15.394 -12.501 60 HD2 ARG 10 HD3 ARG 10 -4.747 -14.836 -13.759 61 HD3 ARG 10 HD2 ARG 10 -4.870 -14.002 -12.146 62 HE ARG 10 HE ARG 10 -3.597 -12.288 -14.139 63 HH11 ARG 10 HH11 ARG 10 -6.682 -13.633 -12.971 64 HH12 ARG 10 HH12 ARG 10 -7.649 -12.310 -13.531 65 HH21 ARG 10 HH21 ARG 10 -4.918 -10.483 -14.902 66 HH22 ARG 10 HH22 ARG 10 -6.630 -10.492 -14.646 67 H ALA 11 H ALA 11 0.320 -14.882 -13.688 68 HA ALA 11 HA ALA 11 -0.014 -17.374 -12.309 69 HB1 ALA 11 HB1 ALA 11 -0.235 -17.290 -14.830 70 HB2 ALA 11 HB2 ALA 11 1.080 -18.414 -14.312 71 HB3 ALA 11 HB3 ALA 11 1.490 -16.768 -14.930 72 H ASP 12 H ASP 12 2.251 -14.797 -12.255 73 HA ASP 12 HA ASP 12 4.536 -16.507 -11.859 74 HB2 ASP 12 HB2 ASP 12 4.098 -13.642 -12.272 75 HB3 ASP 12 HB1 ASP 12 5.028 -13.882 -10.755 76 H CYS 13 H CYS 13 1.777 -15.518 -10.077 77 HA CYS 13 HA CYS 13 3.126 -15.415 -7.533 78 HB2 CYS 13 HB2 CYS 13 0.841 -14.243 -8.149 79 HB3 CYS 13 HB1 CYS 13 0.135 -15.878 -7.960 80 H LEU 14 H LEU 14 2.078 -17.800 -9.780 81 HA LEU 14 HA LEU 14 1.557 -19.754 -7.716 82 HB2 LEU 14 HB3 LEU 14 1.776 -20.007 -10.775 83 HB3 LEU 14 HB2 LEU 14 1.367 -21.365 -9.663 84 HG LEU 14 HG LEU 14 -0.258 -18.781 -9.700 85 HD11 LEU 14 HD11 LEU 14 -1.766 -20.736 -11.100 86 HD12 LEU 14 HD12 LEU 14 -0.116 -20.818 -11.822 87 HD13 LEU 14 HD13 LEU 14 -1.005 -19.248 -11.777 88 HD21 LEU 14 HD21 LEU 14 -0.874 -19.978 -7.775 89 HD22 LEU 14 HD22 LEU 14 -0.622 -21.587 -8.551 90 HD23 LEU 14 HD23 LEU 14 -2.069 -20.596 -8.978 91 H LEU 15 H LEU 15 4.272 -18.253 -9.083 92 HA LEU 15 HA LEU 15 5.834 -20.716 -8.791 93 HB2 LEU 15 HB2 LEU 15 6.643 -18.032 -10.059 94 HB3 LEU 15 HB1 LEU 15 7.677 -19.497 -9.956 95 HG LEU 15 HG LEU 15 5.037 -19.257 -11.492 96 HD11 LEU 15 HD11 LEU 15 6.830 -19.818 -13.440 97 HD12 LEU 15 HD12 LEU 15 7.952 -18.988 -12.296 98 HD13 LEU 15 HD13 LEU 15 6.489 -18.128 -12.908 99 HD21 LEU 15 HD21 LEU 15 5.073 -21.535 -10.904 100 HD22 LEU 15 HD22 LEU 15 6.875 -21.632 -10.922 101 HD23 LEU 15 HD23 LEU 15 5.958 -21.552 -12.475 102 H THR 16 H THR 16 7.471 -20.799 -7.188 103 HA THR 16 HA THR 16 7.303 -18.564 -5.333 104 HB THR 16 HB THR 16 8.461 -20.062 -3.734 105 HG1 THR 16 HG1 THR 16 8.691 -22.253 -4.453 106 HG21 THR 16 HG21 THR 16 6.200 -21.663 -5.032 107 HG22 THR 16 HG22 THR 16 5.873 -20.080 -4.229 108 HG23 THR 16 HG23 THR 16 6.576 -21.445 -3.281 109 H HIS 17 H HIS 17 9.106 -19.555 -7.999 110 HA HIS 17 HA HIS 17 11.582 -18.544 -6.804 111 HB2 HIS 17 HB2 HIS 17 11.091 -19.992 -9.473 112 HB3 HIS 17 HB1 HIS 17 12.694 -19.358 -8.935 113 HD2 HIS 17 HD2 HIS 17 10.087 -22.206 -7.789 114 HE1 HIS 17 HE1 HIS 17 13.977 -23.095 -6.386 115 HE2 HIS 17 HE2 HIS 17 11.575 -23.907 -6.585 116 H ARG 18 H ARG 18 8.841 -17.331 -8.170 117 HA ARG 18 HA ARG 18 10.412 -15.257 -9.507 118 HB2 ARG 18 HB2 ARG 18 7.824 -16.578 -10.466 119 HB3 ARG 18 HB1 ARG 18 8.319 -14.940 -11.012 120 HG2 ARG 18 HG2 ARG 18 10.228 -17.312 -11.272 121 HG3 ARG 18 HG1 ARG 18 8.938 -17.030 -12.490 122 HD2 ARG 18 HD2 ARG 18 10.992 -14.853 -11.688 123 HD3 ARG 18 HD1 ARG 18 11.220 -15.996 -13.086 124 HE ARG 18 HE ARG 18 8.620 -14.790 -13.313 125 HH11 ARG 18 HH11 ARG 18 12.093 -14.007 -13.433 126 HH12 ARG 18 HH12 ARG 18 11.917 -12.697 -14.551 127 HH21 ARG 18 HH21 ARG 18 8.380 -13.002 -14.838 128 HH22 ARG 18 HH22 ARG 18 9.773 -12.117 -15.362 129 H LYS 19 H LYS 19 8.179 -16.231 -7.076 130 HA LYS 19 HA LYS 19 6.568 -13.901 -7.116 131 HB2 LYS 19 HB3 LYS 19 5.808 -14.550 -4.877 132 HB3 LYS 19 HB2 LYS 19 5.885 -16.021 -5.906 133 HG2 LYS 19 HG2 LYS 19 8.150 -16.554 -4.946 134 HG3 LYS 19 HG1 LYS 19 8.013 -15.117 -3.876 135 HD2 LYS 19 HD2 LYS 19 5.942 -16.097 -2.865 136 HD3 LYS 19 HD1 LYS 19 6.118 -17.542 -3.908 137 HE2 LYS 19 HE3 LYS 19 8.330 -18.051 -2.832 138 HE3 LYS 19 HE2 LYS 19 8.150 -16.589 -1.777 139 HZ1 LYS 19 HZ1 LYS 19 6.265 -18.891 -1.882 140 HZ2 LYS 19 HZ2 LYS 19 6.174 -17.548 -0.848 141 HZ3 LYS 19 HZ3 LYS 19 7.465 -18.642 -0.708 142 H GLN 20 H GLN 20 9.832 -14.683 -6.082 143 HA GLN 20 HA GLN 20 10.011 -12.676 -4.103 144 HB2 GLN 20 HB2 GLN 20 12.165 -13.976 -5.873 145 HB3 GLN 20 HB1 GLN 20 12.533 -12.795 -4.565 146 HG2 GLN 20 HG3 GLN 20 11.646 -14.309 -2.833 147 HG3 GLN 20 HG2 GLN 20 11.047 -15.461 -4.096 148 HE21 GLN 20 HE21 GLN 20 13.065 -15.912 -1.926 149 HE22 GLN 20 HE22 GLN 20 14.519 -16.411 -2.719 150 H GLY 21 H GLY 21 10.555 -12.812 -7.678 151 HA2 GLY 21 HA2 GLY 21 11.470 -10.097 -7.709 152 HA3 GLY 21 HA1 GLY 21 11.033 -11.156 -9.124 153 H CYS 22 H CYS 22 8.421 -11.898 -8.524 154 HA CYS 22 HA CYS 22 7.127 -9.265 -8.665 155 HB2 CYS 22 HB2 CYS 22 6.162 -12.026 -9.603 156 HB3 CYS 22 HB1 CYS 22 5.176 -10.527 -9.657 157 H GLN 23 H GLN 23 7.030 -8.943 -6.365 158 HA GLN 23 HA GLN 23 5.521 -11.013 -4.971 159 HB2 GLN 23 HB2 GLN 23 6.396 -10.218 -2.946 160 HB3 GLN 23 HB1 GLN 23 7.741 -9.822 -4.055 161 HG2 GLN 23 HG2 GLN 23 6.537 -7.484 -4.349 162 HG3 GLN 23 HG1 GLN 23 5.654 -7.939 -2.840 163 HE21 GLN 23 HE21 GLN 23 8.895 -7.378 -4.282 164 HE22 GLN 23 HE22 GLN 23 9.728 -7.128 -2.790 165 H LYS 24 H LYS 24 5.372 -7.750 -6.316 166 HA LYS 24 HA LYS 24 3.135 -6.943 -4.765 167 HB2 LYS 24 HB2 LYS 24 4.597 -5.270 -5.970 168 HB3 LYS 24 HB1 LYS 24 4.040 -5.965 -7.532 169 HG2 LYS 24 HG2 LYS 24 1.683 -5.324 -6.983 170 HG3 LYS 24 HG1 LYS 24 2.240 -4.621 -5.425 171 HD2 LYS 24 HD2 LYS 24 3.673 -2.995 -6.672 172 HD3 LYS 24 HD1 LYS 24 3.130 -3.704 -8.232 173 HE2 LYS 24 HE3 LYS 24 0.766 -3.026 -7.720 174 HE3 LYS 24 HE2 LYS 24 1.312 -2.316 -6.144 175 HZ1 LYS 24 HZ1 LYS 24 2.076 -0.539 -7.169 176 HZ2 LYS 24 HZ2 LYS 24 1.177 -1.038 -8.521 177 HZ3 LYS 24 HZ3 LYS 24 2.829 -1.413 -8.414 178 H THR 25 H THR 25 3.651 -8.653 -7.886 179 HA THR 25 HA THR 25 0.843 -8.529 -8.489 180 HB THR 25 HB THR 25 2.984 -8.917 -10.123 181 HG1 THR 25 HG1 THR 25 0.541 -8.809 -10.434 182 HG21 THR 25 HG21 THR 25 3.410 -11.151 -8.865 183 HG22 THR 25 HG22 THR 25 3.309 -11.260 -10.661 184 HG23 THR 25 HG23 THR 25 1.905 -11.767 -9.647 185 H CYS 26 H CYS 26 3.019 -10.527 -6.597 186 HA CYS 26 HA CYS 26 1.282 -12.799 -6.717 187 HB2 CYS 26 HB2 CYS 26 3.910 -12.667 -6.127 188 HB3 CYS 26 HB1 CYS 26 3.274 -12.377 -4.481 189 H GLY 27 H GLY 27 1.887 -9.942 -4.618 190 HA2 GLY 27 HA2 GLY 27 0.228 -9.001 -3.322 191 HA3 GLY 27 HA1 GLY 27 -0.646 -10.597 -3.314 192 H LEU 28 H LEU 28 2.829 -10.636 -2.882 193 HA LEU 28 HA LEU 28 2.524 -11.868 -0.361 194 HB2 LEU 28 HB2 LEU 28 4.987 -10.615 -1.720 195 HB3 LEU 28 HB1 LEU 28 5.055 -11.488 -0.144 196 HG LEU 28 HG LEU 28 4.021 -12.715 -2.751 197 HD11 LEU 28 HD11 LEU 28 6.189 -12.840 -3.401 198 HD12 LEU 28 HD12 LEU 28 6.425 -14.030 -2.067 199 HD13 LEU 28 HD13 LEU 28 6.791 -12.285 -1.794 200 HD21 LEU 28 HD21 LEU 28 3.054 -14.056 -1.103 201 HD22 LEU 28 HD22 LEU 28 4.371 -13.746 0.091 202 HD23 LEU 28 HD23 LEU 28 4.650 -14.880 -1.285 203 H CYS 29 H CYS 29 3.261 -8.541 -1.506 204 HA CYS 29 HA CYS 29 2.583 -7.641 1.168 205 HB2 CYS 29 HB2 CYS 29 5.060 -7.716 1.316 206 HB3 CYS 29 HB1 CYS 29 5.188 -6.905 -0.280 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 4.869 -2.373 -0.198 2 H2 CYS 1 HT2 CYS 1 4.042 -2.356 -1.684 3 H3 CYS 1 HT3 CYS 1 5.246 -1.199 -1.369 4 HA CYS 1 HA CYS 1 6.948 -2.648 -1.656 5 HB2 CYS 1 HB2 CYS 1 4.934 -4.945 -1.346 6 HB3 CYS 1 HB1 CYS 1 6.706 -5.133 -1.572 7 H GLU 2 H GLU 2 7.530 -2.407 -3.792 8 HA GLU 2 HA GLU 2 5.494 -3.186 -5.731 9 HB2 GLU 2 HB3 GLU 2 8.005 -1.441 -5.949 10 HB3 GLU 2 HB2 GLU 2 7.118 -2.039 -7.398 11 HG2 GLU 2 HG2 GLU 2 5.088 -0.825 -6.767 12 HG3 GLU 2 HG1 GLU 2 5.799 -0.382 -5.172 13 H ASN 3 H ASN 3 6.495 -4.179 -7.834 14 HA ASN 3 HA ASN 3 8.010 -6.438 -6.900 15 HB2 ASN 3 HB2 ASN 3 8.060 -6.821 -9.594 16 HB3 ASN 3 HB1 ASN 3 6.604 -7.225 -8.619 17 HD21 ASN 3 HD21 ASN 3 4.848 -6.722 -9.846 18 HD22 ASN 3 HD22 ASN 3 4.596 -5.226 -10.678 19 H THR 4 H THR 4 10.128 -7.086 -8.022 20 HA THR 4 HA THR 4 11.660 -4.610 -8.396 21 HB THR 4 HB THR 4 13.685 -6.048 -8.101 22 HG1 THR 4 HG1 THR 4 12.554 -8.180 -7.071 23 HG21 THR 4 HG21 THR 4 11.624 -6.532 -5.861 24 HG22 THR 4 HG22 THR 4 12.420 -4.938 -6.149 25 HG23 THR 4 HG23 THR 4 13.415 -6.377 -5.704 26 H ILE 5 H ILE 5 10.015 -6.984 -10.186 27 HA ILE 5 HA ILE 5 11.770 -6.377 -12.450 28 HB ILE 5 HB ILE 5 11.306 -8.647 -13.394 29 HG12 ILE 5 HG12 ILE 5 10.229 -9.249 -10.566 30 HG13 ILE 5 HG11 ILE 5 9.196 -8.999 -12.016 31 HG21 ILE 5 HG21 ILE 5 12.629 -8.852 -10.619 32 HG22 ILE 5 HG22 ILE 5 13.386 -7.951 -11.987 33 HG23 ILE 5 HG23 ILE 5 13.063 -9.719 -12.141 34 HD11 ILE 5 HD11 ILE 5 9.442 -11.394 -11.767 35 HD12 ILE 5 HD12 ILE 5 11.225 -11.260 -11.521 36 HD13 ILE 5 HD13 ILE 5 10.510 -10.924 -13.143 37 H SER 6 H SER 6 10.551 -6.689 -14.599 38 HA SER 6 HA SER 6 7.767 -5.924 -14.088 39 HB2 SER 6 HB3 SER 6 9.390 -4.330 -15.460 40 HB3 SER 6 HB2 SER 6 9.210 -5.567 -16.767 41 HG SER 6 HG SER 6 7.647 -3.617 -16.349 42 H GLY 7 H GLY 7 6.442 -6.536 -16.366 43 HA2 GLY 7 HA2 GLY 7 5.665 -8.223 -17.624 44 HA3 GLY 7 HA1 GLY 7 7.292 -9.024 -17.454 45 H CYS 8 H CYS 8 5.245 -7.908 -14.755 46 HA CYS 8 HA CYS 8 5.425 -10.528 -13.635 47 HB2 CYS 8 HB2 CYS 8 3.943 -7.987 -12.758 48 HB3 CYS 8 HB1 CYS 8 3.856 -9.535 -11.853 49 H SER 9 H SER 9 3.641 -11.970 -13.189 50 HA SER 9 HA SER 9 1.181 -11.268 -14.582 51 HB2 SER 9 HB2 SER 9 2.672 -13.951 -14.917 52 HB3 SER 9 HB1 SER 9 1.006 -13.602 -15.534 53 HG SER 9 HG SER 9 2.839 -11.715 -16.253 54 H ARG 10 H ARG 10 -0.653 -12.763 -13.829 55 HA ARG 10 HA ARG 10 -0.429 -13.009 -11.009 56 HB2 ARG 10 HB3 ARG 10 -2.704 -13.877 -11.021 57 HB3 ARG 10 HB2 ARG 10 -2.633 -12.570 -12.251 58 HG2 ARG 10 HG2 ARG 10 -2.171 -14.410 -14.007 59 HG3 ARG 10 HG1 ARG 10 -2.590 -15.604 -12.729 60 HD2 ARG 10 HD3 ARG 10 -4.617 -15.198 -14.065 61 HD3 ARG 10 HD2 ARG 10 -4.855 -14.353 -12.470 62 HE ARG 10 HE ARG 10 -3.622 -12.573 -14.422 63 HH11 ARG 10 HH11 ARG 10 -6.658 -14.149 -13.426 64 HH12 ARG 10 HH12 ARG 10 -7.690 -12.912 -14.061 65 HH21 ARG 10 HH21 ARG 10 -5.034 -10.885 -15.287 66 HH22 ARG 10 HH22 ARG 10 -6.753 -11.028 -15.136 67 H ALA 11 H ALA 11 0.394 -15.022 -13.739 68 HA ALA 11 HA ALA 11 0.108 -17.473 -12.270 69 HB1 ALA 11 HB1 ALA 11 -0.059 -17.485 -14.801 70 HB2 ALA 11 HB2 ALA 11 1.268 -18.555 -14.206 71 HB3 ALA 11 HB3 ALA 11 1.655 -16.925 -14.879 72 H ASP 12 H ASP 12 2.271 -14.819 -12.242 73 HA ASP 12 HA ASP 12 4.622 -16.412 -11.776 74 HB2 ASP 12 HB2 ASP 12 4.051 -13.575 -12.212 75 HB3 ASP 12 HB1 ASP 12 4.956 -13.762 -10.674 76 H CYS 13 H CYS 13 1.791 -15.465 -10.039 77 HA CYS 13 HA CYS 13 3.097 -15.347 -7.476 78 HB2 CYS 13 HB2 CYS 13 0.802 -14.217 -8.133 79 HB3 CYS 13 HB1 CYS 13 0.122 -15.863 -7.942 80 H LEU 14 H LEU 14 2.063 -17.754 -9.731 81 HA LEU 14 HA LEU 14 1.605 -19.711 -7.650 82 HB2 LEU 14 HB3 LEU 14 1.733 -19.958 -10.715 83 HB3 LEU 14 HB2 LEU 14 1.385 -21.327 -9.596 84 HG LEU 14 HG LEU 14 -0.285 -18.772 -9.571 85 HD11 LEU 14 HD11 LEU 14 -1.785 -20.785 -10.926 86 HD12 LEU 14 HD12 LEU 14 -0.163 -20.775 -11.714 87 HD13 LEU 14 HD13 LEU 14 -1.124 -19.250 -11.609 88 HD21 LEU 14 HD21 LEU 14 -0.781 -20.005 -7.621 89 HD22 LEU 14 HD22 LEU 14 -0.589 -21.600 -8.444 90 HD23 LEU 14 HD23 LEU 14 -2.042 -20.582 -8.775 91 H LEU 15 H LEU 15 4.262 -18.195 -9.121 92 HA LEU 15 HA LEU 15 5.855 -20.641 -8.915 93 HB2 LEU 15 HB2 LEU 15 6.579 -17.889 -10.085 94 HB3 LEU 15 HB1 LEU 15 7.682 -19.307 -10.017 95 HG LEU 15 HG LEU 15 5.017 -19.207 -11.526 96 HD11 LEU 15 HD11 LEU 15 7.846 -19.248 -12.736 97 HD12 LEU 15 HD12 LEU 15 6.897 -17.737 -12.470 98 HD13 LEU 15 HD13 LEU 15 6.272 -19.009 -13.585 99 HD21 LEU 15 HD21 LEU 15 7.082 -21.412 -11.082 100 HD22 LEU 15 HD22 LEU 15 6.153 -21.351 -12.628 101 HD23 LEU 15 HD23 LEU 15 5.279 -21.492 -11.055 102 H THR 16 H THR 16 7.505 -20.793 -7.334 103 HA THR 16 HA THR 16 7.340 -18.650 -5.372 104 HB THR 16 HB THR 16 8.520 -20.216 -3.857 105 HG1 THR 16 HG1 THR 16 8.551 -22.440 -4.837 106 HG21 THR 16 HG21 THR 16 6.652 -21.661 -3.475 107 HG22 THR 16 HG22 THR 16 6.241 -21.735 -5.230 108 HG23 THR 16 HG23 THR 16 5.938 -20.222 -4.294 109 H HIS 17 H HIS 17 9.128 -19.490 -8.097 110 HA HIS 17 HA HIS 17 11.586 -18.476 -6.864 111 HB2 HIS 17 HB2 HIS 17 11.170 -19.900 -9.557 112 HB3 HIS 17 HB1 HIS 17 12.753 -19.278 -8.952 113 HD2 HIS 17 HD2 HIS 17 10.127 -22.175 -8.020 114 HE1 HIS 17 HE1 HIS 17 13.926 -23.037 -6.373 115 HE2 HIS 17 HE2 HIS 17 11.558 -23.881 -6.755 116 H ARG 18 H ARG 18 8.840 -17.305 -8.239 117 HA ARG 18 HA ARG 18 10.385 -15.204 -9.562 118 HB2 ARG 18 HB2 ARG 18 7.794 -16.516 -10.537 119 HB3 ARG 18 HB1 ARG 18 8.350 -14.910 -11.112 120 HG2 ARG 18 HG2 ARG 18 10.165 -17.365 -11.288 121 HG3 ARG 18 HG1 ARG 18 8.926 -17.029 -12.545 122 HD2 ARG 18 HD2 ARG 18 11.070 -14.957 -11.702 123 HD3 ARG 18 HD1 ARG 18 11.266 -16.116 -13.092 124 HE ARG 18 HE ARG 18 8.740 -14.772 -13.377 125 HH11 ARG 18 HH11 ARG 18 12.252 -14.179 -13.422 126 HH12 ARG 18 HH12 ARG 18 12.171 -12.865 -14.546 127 HH21 ARG 18 HH21 ARG 18 8.631 -12.979 -14.910 128 HH22 ARG 18 HH22 ARG 18 10.081 -12.172 -15.405 129 H LYS 19 H LYS 19 8.112 -16.232 -7.175 130 HA LYS 19 HA LYS 19 6.493 -13.908 -7.210 131 HB2 LYS 19 HB3 LYS 19 5.714 -14.584 -4.979 132 HB3 LYS 19 HB2 LYS 19 5.783 -16.032 -6.039 133 HG2 LYS 19 HG2 LYS 19 8.040 -16.606 -5.080 134 HG3 LYS 19 HG1 LYS 19 7.905 -15.196 -3.973 135 HD2 LYS 19 HD2 LYS 19 5.823 -16.188 -3.002 136 HD3 LYS 19 HD1 LYS 19 5.992 -17.607 -4.082 137 HE2 LYS 19 HE3 LYS 19 8.195 -18.162 -3.008 138 HE3 LYS 19 HE2 LYS 19 8.020 -16.728 -1.914 139 HZ1 LYS 19 HZ1 LYS 19 5.712 -18.437 -1.936 140 HZ2 LYS 19 HZ2 LYS 19 6.626 -17.831 -0.639 141 HZ3 LYS 19 HZ3 LYS 19 7.123 -19.242 -1.444 142 H GLN 20 H GLN 20 9.741 -14.688 -6.139 143 HA GLN 20 HA GLN 20 9.876 -12.704 -4.131 144 HB2 GLN 20 HB2 GLN 20 12.073 -13.971 -5.873 145 HB3 GLN 20 HB1 GLN 20 12.403 -12.828 -4.521 146 HG2 GLN 20 HG3 GLN 20 11.347 -14.411 -2.885 147 HG3 GLN 20 HG2 GLN 20 10.995 -15.563 -4.238 148 HE21 GLN 20 HE21 GLN 20 12.386 -17.256 -3.833 149 HE22 GLN 20 HE22 GLN 20 14.106 -17.111 -3.710 150 H GLY 21 H GLY 21 10.514 -12.811 -7.695 151 HA2 GLY 21 HA2 GLY 21 11.437 -10.105 -7.693 152 HA3 GLY 21 HA1 GLY 21 11.000 -11.145 -9.121 153 H CYS 22 H CYS 22 8.371 -11.867 -8.513 154 HA CYS 22 HA CYS 22 7.110 -9.217 -8.653 155 HB2 CYS 22 HB2 CYS 22 6.157 -11.959 -9.648 156 HB3 CYS 22 HB1 CYS 22 5.140 -10.480 -9.646 157 H GLN 23 H GLN 23 7.055 -8.951 -6.331 158 HA GLN 23 HA GLN 23 5.500 -11.003 -4.970 159 HB2 GLN 23 HB2 GLN 23 6.363 -10.217 -2.934 160 HB3 GLN 23 HB1 GLN 23 7.723 -9.847 -4.033 161 HG2 GLN 23 HG2 GLN 23 6.555 -7.490 -4.340 162 HG3 GLN 23 HG1 GLN 23 5.665 -7.928 -2.830 163 HE21 GLN 23 HE21 GLN 23 8.923 -7.451 -4.272 164 HE22 GLN 23 HE22 GLN 23 9.755 -7.198 -2.779 165 H LYS 24 H LYS 24 5.379 -7.736 -6.298 166 HA LYS 24 HA LYS 24 3.151 -6.909 -4.749 167 HB2 LYS 24 HB2 LYS 24 4.624 -5.251 -5.955 168 HB3 LYS 24 HB1 LYS 24 4.066 -5.946 -7.517 169 HG2 LYS 24 HG2 LYS 24 1.714 -5.284 -6.979 170 HG3 LYS 24 HG1 LYS 24 2.269 -4.584 -5.419 171 HD2 LYS 24 HD2 LYS 24 3.718 -2.971 -6.660 172 HD3 LYS 24 HD1 LYS 24 3.184 -3.679 -8.222 173 HE2 LYS 24 HE3 LYS 24 0.820 -2.985 -7.731 174 HE3 LYS 24 HE2 LYS 24 1.357 -2.276 -6.152 175 HZ1 LYS 24 HZ1 LYS 24 2.149 -0.507 -7.173 176 HZ2 LYS 24 HZ2 LYS 24 1.246 -0.997 -8.525 177 HZ3 LYS 24 HZ3 LYS 24 2.895 -1.388 -8.418 178 H THR 25 H THR 25 3.646 -8.634 -7.866 179 HA THR 25 HA THR 25 0.837 -8.484 -8.464 180 HB THR 25 HB THR 25 2.976 -8.896 -10.100 181 HG1 THR 25 HG1 THR 25 0.525 -8.768 -10.402 182 HG21 THR 25 HG21 THR 25 1.862 -11.733 -9.621 183 HG22 THR 25 HG22 THR 25 3.378 -11.134 -8.845 184 HG23 THR 25 HG23 THR 25 3.268 -11.244 -10.640 185 H CYS 26 H CYS 26 3.004 -10.508 -6.584 186 HA CYS 26 HA CYS 26 1.240 -12.761 -6.693 187 HB2 CYS 26 HB2 CYS 26 3.867 -12.675 -6.126 188 HB3 CYS 26 HB1 CYS 26 3.261 -12.344 -4.476 189 H GLY 27 H GLY 27 1.883 -9.908 -4.598 190 HA2 GLY 27 HA2 GLY 27 0.244 -8.951 -3.293 191 HA3 GLY 27 HA1 GLY 27 -0.652 -10.535 -3.283 192 H LEU 28 H LEU 28 2.821 -10.625 -2.868 193 HA LEU 28 HA LEU 28 2.515 -11.856 -0.350 194 HB2 LEU 28 HB2 LEU 28 4.983 -10.628 -1.721 195 HB3 LEU 28 HB1 LEU 28 5.052 -11.497 -0.143 196 HG LEU 28 HG LEU 28 3.980 -12.728 -2.733 197 HD11 LEU 28 HD11 LEU 28 6.773 -12.316 -1.812 198 HD12 LEU 28 HD12 LEU 28 6.142 -12.833 -3.421 199 HD13 LEU 28 HD13 LEU 28 6.386 -14.052 -2.114 200 HD21 LEU 28 HD21 LEU 28 4.635 -14.887 -1.273 201 HD22 LEU 28 HD22 LEU 28 3.044 -14.061 -1.061 202 HD23 LEU 28 HD23 LEU 28 4.385 -13.748 0.105 203 H CYS 29 H CYS 29 3.281 -8.535 -1.491 204 HA CYS 29 HA CYS 29 2.625 -7.633 1.189 205 HB2 CYS 29 HB2 CYS 29 5.104 -7.730 1.321 206 HB3 CYS 29 HB1 CYS 29 5.228 -6.915 -0.274 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 5.374 -1.050 -0.537 2 H2 CYS 1 HT2 CYS 1 4.685 -2.524 -0.044 3 H3 CYS 1 HT3 CYS 1 4.184 -1.795 -1.497 4 HA CYS 1 HA CYS 1 6.996 -2.226 -1.405 5 HB2 CYS 1 HB2 CYS 1 5.138 -4.674 -1.447 6 HB3 CYS 1 HB1 CYS 1 6.918 -4.701 -1.687 7 H GLU 2 H GLU 2 7.548 -3.650 -3.535 8 HA GLU 2 HA GLU 2 5.478 -3.441 -5.504 9 HB2 GLU 2 HB3 GLU 2 6.681 -1.991 -7.082 10 HB3 GLU 2 HB2 GLU 2 6.461 -1.088 -5.540 11 HG2 GLU 2 HG2 GLU 2 8.825 -1.776 -4.847 12 HG3 GLU 2 HG1 GLU 2 9.033 -2.511 -6.485 13 H ASN 3 H ASN 3 6.425 -4.310 -7.694 14 HA ASN 3 HA ASN 3 7.998 -6.593 -6.947 15 HB2 ASN 3 HB2 ASN 3 7.981 -6.832 -9.650 16 HB3 ASN 3 HB1 ASN 3 6.542 -7.284 -8.671 17 HD21 ASN 3 HD21 ASN 3 4.802 -6.753 -9.925 18 HD22 ASN 3 HD22 ASN 3 4.524 -5.202 -10.643 19 H THR 4 H THR 4 10.129 -7.125 -8.002 20 HA THR 4 HA THR 4 11.584 -4.608 -8.389 21 HB THR 4 HB THR 4 13.650 -5.990 -8.097 22 HG1 THR 4 HG1 THR 4 12.586 -8.145 -7.052 23 HG21 THR 4 HG21 THR 4 13.393 -6.319 -5.696 24 HG22 THR 4 HG22 THR 4 11.604 -6.507 -5.850 25 HG23 THR 4 HG23 THR 4 12.372 -4.901 -6.147 26 H ILE 5 H ILE 5 9.982 -6.986 -10.185 27 HA ILE 5 HA ILE 5 11.745 -6.371 -12.443 28 HB ILE 5 HB ILE 5 11.289 -8.639 -13.393 29 HG12 ILE 5 HG12 ILE 5 10.188 -9.245 -10.574 30 HG13 ILE 5 HG11 ILE 5 9.169 -8.994 -12.032 31 HG21 ILE 5 HG21 ILE 5 12.591 -8.847 -10.609 32 HG22 ILE 5 HG22 ILE 5 13.360 -7.948 -11.972 33 HG23 ILE 5 HG23 ILE 5 13.033 -9.716 -12.127 34 HD11 ILE 5 HD11 ILE 5 10.469 -10.920 -13.153 35 HD12 ILE 5 HD12 ILE 5 9.423 -11.393 -11.762 36 HD13 ILE 5 HD13 ILE 5 11.208 -11.249 -11.540 37 H SER 6 H SER 6 10.531 -6.682 -14.596 38 HA SER 6 HA SER 6 7.746 -5.913 -14.090 39 HB2 SER 6 HB3 SER 6 9.373 -4.326 -15.466 40 HB3 SER 6 HB2 SER 6 9.192 -5.569 -16.770 41 HG SER 6 HG SER 6 7.625 -3.611 -16.333 42 H GLY 7 H GLY 7 6.417 -6.533 -16.361 43 HA2 GLY 7 HA2 GLY 7 5.640 -8.224 -17.611 44 HA3 GLY 7 HA1 GLY 7 7.266 -9.025 -17.441 45 H CYS 8 H CYS 8 5.202 -7.898 -14.754 46 HA CYS 8 HA CYS 8 5.389 -10.516 -13.625 47 HB2 CYS 8 HB2 CYS 8 3.922 -7.966 -12.751 48 HB3 CYS 8 HB1 CYS 8 3.814 -9.514 -11.846 49 H SER 9 H SER 9 3.610 -11.956 -13.182 50 HA SER 9 HA SER 9 1.139 -11.251 -14.547 51 HB2 SER 9 HB2 SER 9 2.640 -13.919 -14.943 52 HB3 SER 9 HB1 SER 9 0.967 -13.568 -15.537 53 HG SER 9 HG SER 9 2.858 -11.694 -16.224 54 H ARG 10 H ARG 10 -0.679 -12.760 -13.793 55 HA ARG 10 HA ARG 10 -0.414 -13.054 -10.982 56 HB2 ARG 10 HB3 ARG 10 -2.679 -14.008 -10.998 57 HB3 ARG 10 HB2 ARG 10 -2.643 -12.598 -12.109 58 HG2 ARG 10 HG2 ARG 10 -2.398 -14.101 -14.068 59 HG3 ARG 10 HG1 ARG 10 -2.349 -15.535 -12.985 60 HD2 ARG 10 HD3 ARG 10 -4.753 -13.582 -13.128 61 HD3 ARG 10 HD2 ARG 10 -4.635 -15.141 -14.060 62 HE ARG 10 HE ARG 10 -4.096 -15.732 -11.313 63 HH11 ARG 10 HH11 ARG 10 -6.698 -14.519 -13.420 64 HH12 ARG 10 HH12 ARG 10 -7.987 -15.157 -12.456 65 HH21 ARG 10 HH21 ARG 10 -5.856 -16.602 -9.998 66 HH22 ARG 10 HH22 ARG 10 -7.501 -16.358 -10.480 67 H ALA 11 H ALA 11 0.388 -15.015 -13.756 68 HA ALA 11 HA ALA 11 0.133 -17.496 -12.335 69 HB1 ALA 11 HB1 ALA 11 1.312 -18.524 -14.297 70 HB2 ALA 11 HB2 ALA 11 1.653 -16.872 -14.943 71 HB3 ALA 11 HB3 ALA 11 -0.046 -17.476 -14.858 72 H ASP 12 H ASP 12 2.279 -14.828 -12.269 73 HA ASP 12 HA ASP 12 4.635 -16.425 -11.824 74 HB2 ASP 12 HB2 ASP 12 4.069 -13.589 -12.258 75 HB3 ASP 12 HB1 ASP 12 4.979 -13.776 -10.723 76 H CYS 13 H CYS 13 1.814 -15.472 -10.076 77 HA CYS 13 HA CYS 13 3.138 -15.371 -7.519 78 HB2 CYS 13 HB2 CYS 13 0.864 -14.195 -8.144 79 HB3 CYS 13 HB1 CYS 13 0.151 -15.831 -7.986 80 H LEU 14 H LEU 14 2.110 -17.756 -9.779 81 HA LEU 14 HA LEU 14 1.610 -19.713 -7.705 82 HB2 LEU 14 HB3 LEU 14 1.734 -19.951 -10.769 83 HB3 LEU 14 HB2 LEU 14 1.362 -21.316 -9.655 84 HG LEU 14 HG LEU 14 -0.261 -18.732 -9.631 85 HD11 LEU 14 HD11 LEU 14 -1.090 -19.202 -11.677 86 HD12 LEU 14 HD12 LEU 14 -1.813 -20.700 -10.975 87 HD13 LEU 14 HD13 LEU 14 -0.189 -20.763 -11.756 88 HD21 LEU 14 HD21 LEU 14 -2.049 -20.522 -8.834 89 HD22 LEU 14 HD22 LEU 14 -0.791 -19.938 -7.679 90 HD23 LEU 14 HD23 LEU 14 -0.604 -21.543 -8.482 91 H LEU 15 H LEU 15 4.291 -18.200 -9.063 92 HA LEU 15 HA LEU 15 5.853 -20.673 -8.891 93 HB2 LEU 15 HB2 LEU 15 6.642 -17.944 -10.074 94 HB3 LEU 15 HB1 LEU 15 7.676 -19.412 -10.042 95 HG LEU 15 HG LEU 15 5.002 -19.137 -11.512 96 HD11 LEU 15 HD11 LEU 15 6.832 -17.802 -12.563 97 HD12 LEU 15 HD12 LEU 15 6.340 -19.193 -13.600 98 HD13 LEU 15 HD13 LEU 15 7.868 -19.276 -12.644 99 HD21 LEU 15 HD21 LEU 15 6.887 -21.499 -11.075 100 HD22 LEU 15 HD22 LEU 15 5.963 -21.368 -12.619 101 HD23 LEU 15 HD23 LEU 15 5.084 -21.437 -11.045 102 H THR 16 H THR 16 7.517 -20.814 -7.320 103 HA THR 16 HA THR 16 7.366 -18.657 -5.373 104 HB THR 16 HB THR 16 8.569 -20.207 -3.860 105 HG1 THR 16 HG1 THR 16 8.650 -22.424 -4.792 106 HG21 THR 16 HG21 THR 16 5.984 -20.235 -4.269 107 HG22 THR 16 HG22 THR 16 6.716 -21.672 -3.459 108 HG23 THR 16 HG23 THR 16 6.287 -21.743 -5.211 109 H HIS 17 H HIS 17 9.144 -19.527 -8.103 110 HA HIS 17 HA HIS 17 11.611 -18.502 -6.903 111 HB2 HIS 17 HB2 HIS 17 11.141 -19.903 -9.601 112 HB3 HIS 17 HB1 HIS 17 12.734 -19.267 -9.037 113 HD2 HIS 17 HD2 HIS 17 10.157 -22.181 -8.013 114 HE1 HIS 17 HE1 HIS 17 14.028 -23.039 -6.540 115 HE2 HIS 17 HE2 HIS 17 11.646 -23.887 -6.817 116 H ARG 18 H ARG 18 8.836 -17.331 -8.255 117 HA ARG 18 HA ARG 18 10.363 -15.201 -9.554 118 HB2 ARG 18 HB2 ARG 18 7.763 -16.499 -10.521 119 HB3 ARG 18 HB1 ARG 18 8.329 -14.895 -11.092 120 HG2 ARG 18 HG2 ARG 18 10.113 -17.373 -11.291 121 HG3 ARG 18 HG1 ARG 18 8.878 -17.002 -12.543 122 HD2 ARG 18 HD2 ARG 18 11.048 -14.965 -11.679 123 HD3 ARG 18 HD1 ARG 18 11.243 -16.123 -13.070 124 HE ARG 18 HE ARG 18 8.732 -14.740 -13.362 125 HH11 ARG 18 HH11 ARG 18 12.256 -14.223 -13.419 126 HH12 ARG 18 HH12 ARG 18 12.202 -12.917 -14.554 127 HH21 ARG 18 HH21 ARG 18 8.659 -12.959 -14.911 128 HH22 ARG 18 HH22 ARG 18 10.125 -12.187 -15.416 129 H LYS 19 H LYS 19 8.148 -16.254 -7.138 130 HA LYS 19 HA LYS 19 6.491 -13.955 -7.146 131 HB2 LYS 19 HB3 LYS 19 5.749 -14.644 -4.913 132 HB3 LYS 19 HB2 LYS 19 5.847 -16.098 -5.963 133 HG2 LYS 19 HG2 LYS 19 8.128 -16.601 -5.017 134 HG3 LYS 19 HG1 LYS 19 7.958 -15.188 -3.920 135 HD2 LYS 19 HD2 LYS 19 5.915 -16.231 -2.926 136 HD3 LYS 19 HD1 LYS 19 6.112 -17.649 -4.000 137 HE2 LYS 19 HE3 LYS 19 8.339 -18.141 -2.944 138 HE3 LYS 19 HE2 LYS 19 8.133 -16.707 -1.854 139 HZ1 LYS 19 HZ1 LYS 19 7.320 -19.235 -1.354 140 HZ2 LYS 19 HZ2 LYS 19 5.878 -18.493 -1.860 141 HZ3 LYS 19 HZ3 LYS 19 6.765 -17.834 -0.570 142 H GLN 20 H GLN 20 9.768 -14.688 -6.114 143 HA GLN 20 HA GLN 20 9.892 -12.678 -4.125 144 HB2 GLN 20 HB2 GLN 20 12.096 -13.959 -5.848 145 HB3 GLN 20 HB1 GLN 20 12.418 -12.791 -4.517 146 HG2 GLN 20 HG3 GLN 20 11.371 -14.354 -2.854 147 HG3 GLN 20 HG2 GLN 20 11.033 -15.532 -4.188 148 HE21 GLN 20 HE21 GLN 20 12.438 -17.202 -3.721 149 HE22 GLN 20 HE22 GLN 20 14.156 -17.038 -3.609 150 H GLY 21 H GLY 21 10.527 -12.838 -7.686 151 HA2 GLY 21 HA2 GLY 21 11.439 -10.129 -7.730 152 HA3 GLY 21 HA1 GLY 21 10.998 -11.192 -9.141 153 H CYS 22 H CYS 22 8.382 -11.910 -8.556 154 HA CYS 22 HA CYS 22 7.109 -9.266 -8.693 155 HB2 CYS 22 HB2 CYS 22 6.200 -12.015 -9.711 156 HB3 CYS 22 HB1 CYS 22 5.141 -10.567 -9.676 157 H GLN 23 H GLN 23 7.081 -9.026 -6.356 158 HA GLN 23 HA GLN 23 5.491 -11.069 -5.017 159 HB2 GLN 23 HB2 GLN 23 6.359 -10.312 -2.968 160 HB3 GLN 23 HB1 GLN 23 7.733 -9.980 -4.062 161 HG2 GLN 23 HG2 GLN 23 6.655 -7.586 -4.366 162 HG3 GLN 23 HG1 GLN 23 5.724 -7.999 -2.872 163 HE21 GLN 23 HE21 GLN 23 8.980 -7.476 -4.252 164 HE22 GLN 23 HE22 GLN 23 9.809 -7.315 -2.744 165 H LYS 24 H LYS 24 5.427 -7.804 -6.328 166 HA LYS 24 HA LYS 24 3.236 -6.922 -4.762 167 HB2 LYS 24 HB2 LYS 24 4.740 -5.314 -6.004 168 HB3 LYS 24 HB1 LYS 24 4.130 -5.996 -7.551 169 HG2 LYS 24 HG2 LYS 24 2.959 -3.905 -7.087 170 HG3 LYS 24 HG1 LYS 24 1.802 -5.273 -6.943 171 HD2 LYS 24 HD2 LYS 24 1.993 -5.219 -4.479 172 HD3 LYS 24 HD1 LYS 24 3.245 -3.933 -4.576 173 HE2 LYS 24 HE3 LYS 24 1.566 -2.372 -5.607 174 HE3 LYS 24 HE2 LYS 24 0.304 -3.670 -5.507 175 HZ1 LYS 24 HZ1 LYS 24 1.070 -3.678 -3.025 176 HZ2 LYS 24 HZ2 LYS 24 -0.054 -2.544 -3.604 177 HZ3 LYS 24 HZ3 LYS 24 1.569 -2.095 -3.380 178 H THR 25 H THR 25 3.652 -8.681 -7.864 179 HA THR 25 HA THR 25 0.831 -8.481 -8.410 180 HB THR 25 HB THR 25 2.912 -8.874 -10.108 181 HG1 THR 25 HG1 THR 25 0.450 -8.775 -10.333 182 HG21 THR 25 HG21 THR 25 1.840 -11.725 -9.639 183 HG22 THR 25 HG22 THR 25 3.356 -11.123 -8.866 184 HG23 THR 25 HG23 THR 25 3.231 -11.208 -10.663 185 H CYS 26 H CYS 26 2.997 -10.500 -6.551 186 HA CYS 26 HA CYS 26 1.265 -12.773 -6.684 187 HB2 CYS 26 HB2 CYS 26 3.890 -12.629 -6.067 188 HB3 CYS 26 HB1 CYS 26 3.233 -12.361 -4.426 189 H GLY 27 H GLY 27 1.826 -9.906 -4.589 190 HA2 GLY 27 HA2 GLY 27 0.106 -8.987 -3.337 191 HA3 GLY 27 HA1 GLY 27 -0.688 -10.622 -3.265 192 H LEU 28 H LEU 28 2.747 -10.677 -2.889 193 HA LEU 28 HA LEU 28 2.488 -11.700 -0.277 194 HB2 LEU 28 HB2 LEU 28 4.938 -10.608 -1.787 195 HB3 LEU 28 HB1 LEU 28 5.031 -11.367 -0.157 196 HG LEU 28 HG LEU 28 3.882 -12.758 -2.630 197 HD11 LEU 28 HD11 LEU 28 6.717 -12.411 -1.710 198 HD12 LEU 28 HD12 LEU 28 6.058 -12.824 -3.338 199 HD13 LEU 28 HD13 LEU 28 6.238 -14.109 -2.084 200 HD21 LEU 28 HD21 LEU 28 4.348 -13.591 0.262 201 HD22 LEU 28 HD22 LEU 28 4.530 -14.823 -1.044 202 HD23 LEU 28 HD23 LEU 28 2.965 -13.948 -0.842 203 H CYS 29 H CYS 29 3.280 -8.479 -1.677 204 HA CYS 29 HA CYS 29 2.597 -7.339 0.886 205 HB2 CYS 29 HB2 CYS 29 5.092 -7.646 1.121 206 HB3 CYS 29 HB1 CYS 29 5.314 -6.795 -0.446 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 4.762 -2.302 -0.248 2 H2 CYS 1 HT2 CYS 1 3.948 -2.286 -1.740 3 H3 CYS 1 HT3 CYS 1 5.161 -1.139 -1.423 4 HA CYS 1 HA CYS 1 6.850 -2.604 -1.691 5 HB2 CYS 1 HB2 CYS 1 4.801 -4.863 -1.333 6 HB3 CYS 1 HB1 CYS 1 6.559 -5.097 -1.610 7 H GLU 2 H GLU 2 7.438 -2.380 -3.827 8 HA GLU 2 HA GLU 2 5.416 -3.196 -5.766 9 HB2 GLU 2 HB3 GLU 2 7.889 -1.398 -5.988 10 HB3 GLU 2 HB2 GLU 2 7.019 -2.023 -7.437 11 HG2 GLU 2 HG2 GLU 2 4.963 -0.849 -6.823 12 HG3 GLU 2 HG1 GLU 2 5.653 -0.386 -5.223 13 H ASN 3 H ASN 3 6.431 -4.192 -7.855 14 HA ASN 3 HA ASN 3 8.009 -6.399 -6.901 15 HB2 ASN 3 HB2 ASN 3 8.046 -6.847 -9.574 16 HB3 ASN 3 HB1 ASN 3 6.589 -7.233 -8.593 17 HD21 ASN 3 HD21 ASN 3 4.862 -6.802 -9.900 18 HD22 ASN 3 HD22 ASN 3 4.595 -5.316 -10.746 19 H THR 4 H THR 4 10.149 -6.997 -7.962 20 HA THR 4 HA THR 4 11.605 -4.494 -8.423 21 HB THR 4 HB THR 4 13.670 -5.872 -8.103 22 HG1 THR 4 HG1 THR 4 12.672 -8.001 -7.005 23 HG21 THR 4 HG21 THR 4 13.419 -6.136 -5.695 24 HG22 THR 4 HG22 THR 4 11.632 -6.335 -5.838 25 HG23 THR 4 HG23 THR 4 12.392 -4.733 -6.179 26 H ILE 5 H ILE 5 9.986 -6.888 -10.168 27 HA ILE 5 HA ILE 5 11.749 -6.336 -12.439 28 HB ILE 5 HB ILE 5 11.291 -8.627 -13.334 29 HG12 ILE 5 HG12 ILE 5 10.218 -9.163 -10.488 30 HG13 ILE 5 HG11 ILE 5 9.186 -8.959 -11.946 31 HG21 ILE 5 HG21 ILE 5 12.620 -8.774 -10.558 32 HG22 ILE 5 HG22 ILE 5 13.369 -7.885 -11.939 33 HG23 ILE 5 HG23 ILE 5 13.059 -9.658 -12.069 34 HD11 ILE 5 HD11 ILE 5 11.380 -11.111 -11.673 35 HD12 ILE 5 HD12 ILE 5 10.179 -10.947 -13.010 36 HD13 ILE 5 HD13 ILE 5 9.626 -11.386 -11.350 37 H SER 6 H SER 6 10.527 -6.738 -14.584 38 HA SER 6 HA SER 6 7.733 -5.985 -14.091 39 HB2 SER 6 HB3 SER 6 9.329 -4.360 -15.453 40 HB3 SER 6 HB2 SER 6 9.194 -5.606 -16.758 41 HG SER 6 HG SER 6 7.603 -3.718 -16.480 42 H GLY 7 H GLY 7 6.443 -6.625 -16.387 43 HA2 GLY 7 HA2 GLY 7 5.714 -8.329 -17.649 44 HA3 GLY 7 HA1 GLY 7 7.349 -9.107 -17.448 45 H CYS 8 H CYS 8 5.281 -8.004 -14.766 46 HA CYS 8 HA CYS 8 5.433 -10.650 -13.683 47 HB2 CYS 8 HB2 CYS 8 4.025 -8.093 -12.730 48 HB3 CYS 8 HB1 CYS 8 3.937 -9.654 -11.848 49 H SER 9 H SER 9 3.617 -12.053 -13.250 50 HA SER 9 HA SER 9 1.165 -11.247 -14.606 51 HB2 SER 9 HB2 SER 9 2.548 -13.986 -14.947 52 HB3 SER 9 HB1 SER 9 0.895 -13.570 -15.558 53 HG SER 9 HG SER 9 2.846 -11.780 -16.271 54 H ARG 10 H ARG 10 -0.723 -12.664 -13.839 55 HA ARG 10 HA ARG 10 -0.501 -12.912 -11.033 56 HB2 ARG 10 HB3 ARG 10 -2.790 -13.775 -11.043 57 HB3 ARG 10 HB2 ARG 10 -2.691 -12.404 -12.201 58 HG2 ARG 10 HG2 ARG 10 -2.336 -14.080 -14.069 59 HG3 ARG 10 HG1 ARG 10 -2.621 -15.396 -12.878 60 HD2 ARG 10 HD3 ARG 10 -4.926 -14.500 -12.422 61 HD3 ARG 10 HD2 ARG 10 -4.635 -13.174 -13.637 62 HE ARG 10 HE ARG 10 -4.065 -15.717 -14.850 63 HH11 ARG 10 HH11 ARG 10 -6.720 -13.715 -13.576 64 HH12 ARG 10 HH12 ARG 10 -7.922 -14.352 -14.647 65 HH21 ARG 10 HH21 ARG 10 -5.707 -16.586 -16.313 66 HH22 ARG 10 HH22 ARG 10 -7.337 -16.010 -16.227 67 H ALA 11 H ALA 11 0.098 -15.026 -13.785 68 HA ALA 11 HA ALA 11 -0.161 -17.424 -12.247 69 HB1 ALA 11 HB1 ALA 11 1.319 -16.947 -14.910 70 HB2 ALA 11 HB2 ALA 11 -0.390 -17.511 -14.762 71 HB3 ALA 11 HB3 ALA 11 0.960 -18.563 -14.190 72 H ASP 12 H ASP 12 2.108 -14.837 -12.433 73 HA ASP 12 HA ASP 12 4.435 -16.430 -11.983 74 HB2 ASP 12 HB2 ASP 12 4.317 -13.919 -12.837 75 HB3 ASP 12 HB1 ASP 12 4.141 -13.520 -11.093 76 H CYS 13 H CYS 13 1.709 -15.279 -10.093 77 HA CYS 13 HA CYS 13 3.068 -15.272 -7.588 78 HB2 CYS 13 HB2 CYS 13 0.740 -14.182 -8.148 79 HB3 CYS 13 HB1 CYS 13 0.090 -15.843 -7.983 80 H LEU 14 H LEU 14 1.957 -17.707 -9.804 81 HA LEU 14 HA LEU 14 1.617 -19.668 -7.711 82 HB2 LEU 14 HB3 LEU 14 1.694 -19.931 -10.774 83 HB3 LEU 14 HB2 LEU 14 1.384 -21.296 -9.640 84 HG LEU 14 HG LEU 14 -0.319 -18.764 -9.608 85 HD11 LEU 14 HD11 LEU 14 -0.227 -20.824 -11.714 86 HD12 LEU 14 HD12 LEU 14 -1.148 -19.274 -11.645 87 HD13 LEU 14 HD13 LEU 14 -1.841 -20.770 -10.912 88 HD21 LEU 14 HD21 LEU 14 -0.539 -21.571 -8.424 89 HD22 LEU 14 HD22 LEU 14 -2.034 -20.622 -8.778 90 HD23 LEU 14 HD23 LEU 14 -0.793 -19.963 -7.644 91 H LEU 15 H LEU 15 4.233 -18.085 -9.135 92 HA LEU 15 HA LEU 15 5.869 -20.511 -9.073 93 HB2 LEU 15 HB2 LEU 15 6.601 -17.663 -9.985 94 HB3 LEU 15 HB1 LEU 15 7.673 -19.103 -10.076 95 HG LEU 15 HG LEU 15 5.006 -18.769 -11.548 96 HD11 LEU 15 HD11 LEU 15 6.885 -17.278 -12.386 97 HD12 LEU 15 HD12 LEU 15 6.301 -18.479 -13.599 98 HD13 LEU 15 HD13 LEU 15 7.854 -18.762 -12.726 99 HD21 LEU 15 HD21 LEU 15 6.021 -20.841 -12.858 100 HD22 LEU 15 HD22 LEU 15 5.192 -21.103 -11.277 101 HD23 LEU 15 HD23 LEU 15 6.995 -21.084 -11.359 102 H THR 16 H THR 16 7.424 -20.801 -7.433 103 HA THR 16 HA THR 16 7.286 -18.739 -5.374 104 HB THR 16 HB THR 16 8.330 -20.436 -3.890 105 HG1 THR 16 HG1 THR 16 8.327 -22.599 -4.875 106 HG21 THR 16 HG21 THR 16 5.992 -21.747 -5.371 107 HG22 THR 16 HG22 THR 16 5.763 -20.247 -4.393 108 HG23 THR 16 HG23 THR 16 6.359 -21.757 -3.604 109 H HIS 17 H HIS 17 9.104 -19.500 -8.083 110 HA HIS 17 HA HIS 17 11.571 -18.678 -6.715 111 HB2 HIS 17 HB2 HIS 17 11.195 -20.080 -9.427 112 HB3 HIS 17 HB1 HIS 17 12.781 -19.502 -8.786 113 HD2 HIS 17 HD2 HIS 17 10.039 -22.302 -7.880 114 HE1 HIS 17 HE1 HIS 17 13.787 -23.295 -6.189 115 HE2 HIS 17 HE2 HIS 17 11.393 -24.053 -6.591 116 H ARG 18 H ARG 18 8.970 -17.307 -8.118 117 HA ARG 18 HA ARG 18 10.671 -15.284 -9.364 118 HB2 ARG 18 HB2 ARG 18 8.160 -16.575 -10.522 119 HB3 ARG 18 HB1 ARG 18 8.614 -14.895 -10.953 120 HG2 ARG 18 HG2 ARG 18 10.740 -17.036 -11.204 121 HG3 ARG 18 HG1 ARG 18 9.409 -17.026 -12.410 122 HD2 ARG 18 HD2 ARG 18 11.174 -14.561 -11.751 123 HD3 ARG 18 HD1 ARG 18 11.423 -15.679 -13.166 124 HE ARG 18 HE ARG 18 8.675 -14.725 -13.109 125 HH11 ARG 18 HH11 ARG 18 12.050 -13.775 -13.772 126 HH12 ARG 18 HH12 ARG 18 11.641 -12.558 -14.935 127 HH21 ARG 18 HH21 ARG 18 8.125 -13.065 -14.699 128 HH22 ARG 18 HH22 ARG 18 9.374 -12.148 -15.469 129 H LYS 19 H LYS 19 8.237 -16.240 -7.112 130 HA LYS 19 HA LYS 19 6.670 -13.897 -7.193 131 HB2 LYS 19 HB3 LYS 19 5.859 -14.529 -4.951 132 HB3 LYS 19 HB2 LYS 19 5.905 -15.980 -6.010 133 HG2 LYS 19 HG2 LYS 19 8.139 -16.602 -5.029 134 HG3 LYS 19 HG1 LYS 19 8.025 -15.186 -3.927 135 HD2 LYS 19 HD2 LYS 19 5.920 -16.128 -2.965 136 HD3 LYS 19 HD1 LYS 19 6.057 -17.549 -4.047 137 HE2 LYS 19 HE3 LYS 19 8.237 -18.167 -2.967 138 HE3 LYS 19 HE2 LYS 19 8.100 -16.729 -1.873 139 HZ1 LYS 19 HZ1 LYS 19 7.124 -19.221 -1.417 140 HZ2 LYS 19 HZ2 LYS 19 5.741 -18.359 -1.895 141 HZ3 LYS 19 HZ3 LYS 19 6.685 -17.800 -0.598 142 H GLN 20 H GLN 20 9.899 -14.649 -6.064 143 HA GLN 20 HA GLN 20 10.011 -12.679 -4.052 144 HB2 GLN 20 HB2 GLN 20 12.216 -13.887 -5.825 145 HB3 GLN 20 HB1 GLN 20 12.541 -12.731 -4.483 146 HG2 GLN 20 HG3 GLN 20 11.670 -14.306 -2.800 147 HG3 GLN 20 HG2 GLN 20 11.109 -15.437 -4.099 148 HE21 GLN 20 HE21 GLN 20 13.113 -15.897 -1.916 149 HE22 GLN 20 HE22 GLN 20 14.585 -16.347 -2.706 150 H GLY 21 H GLY 21 10.578 -12.714 -7.624 151 HA2 GLY 21 HA2 GLY 21 11.433 -9.974 -7.573 152 HA3 GLY 21 HA1 GLY 21 11.059 -11.014 -9.019 153 H CYS 22 H CYS 22 8.463 -11.842 -8.531 154 HA CYS 22 HA CYS 22 7.093 -9.252 -8.676 155 HB2 CYS 22 HB2 CYS 22 6.211 -12.056 -9.561 156 HB3 CYS 22 HB1 CYS 22 5.173 -10.597 -9.636 157 H GLN 23 H GLN 23 7.058 -8.931 -6.354 158 HA GLN 23 HA GLN 23 5.552 -10.987 -4.938 159 HB2 GLN 23 HB2 GLN 23 6.452 -10.184 -2.933 160 HB3 GLN 23 HB1 GLN 23 7.773 -9.746 -4.056 161 HG2 GLN 23 HG2 GLN 23 6.531 -7.437 -4.322 162 HG3 GLN 23 HG1 GLN 23 5.637 -7.922 -2.829 163 HE21 GLN 23 HE21 GLN 23 8.883 -7.277 -4.220 164 HE22 GLN 23 HE22 GLN 23 9.689 -7.024 -2.713 165 H LYS 24 H LYS 24 5.382 -7.726 -6.298 166 HA LYS 24 HA LYS 24 3.140 -6.931 -4.745 167 HB2 LYS 24 HB2 LYS 24 4.588 -5.246 -5.942 168 HB3 LYS 24 HB1 LYS 24 4.047 -5.945 -7.507 169 HG2 LYS 24 HG2 LYS 24 1.681 -5.322 -6.975 170 HG3 LYS 24 HG1 LYS 24 2.221 -4.618 -5.411 171 HD2 LYS 24 HD2 LYS 24 3.648 -2.977 -6.642 172 HD3 LYS 24 HD1 LYS 24 3.127 -3.689 -8.208 173 HE2 LYS 24 HE3 LYS 24 0.752 -3.034 -7.719 174 HE3 LYS 24 HE2 LYS 24 1.276 -2.322 -6.136 175 HZ1 LYS 24 HZ1 LYS 24 2.282 -0.605 -7.160 176 HZ2 LYS 24 HZ2 LYS 24 1.066 -0.908 -8.307 177 HZ3 LYS 24 HZ3 LYS 24 2.648 -1.461 -8.580 178 H THR 25 H THR 25 3.660 -8.637 -7.869 179 HA THR 25 HA THR 25 0.854 -8.513 -8.478 180 HB THR 25 HB THR 25 3.017 -8.930 -10.093 181 HG1 THR 25 HG1 THR 25 0.523 -8.834 -10.371 182 HG21 THR 25 HG21 THR 25 3.275 -11.282 -10.648 183 HG22 THR 25 HG22 THR 25 1.864 -11.753 -9.628 184 HG23 THR 25 HG23 THR 25 3.387 -11.175 -8.852 185 H CYS 26 H CYS 26 3.032 -10.539 -6.600 186 HA CYS 26 HA CYS 26 1.253 -12.781 -6.706 187 HB2 CYS 26 HB2 CYS 26 3.890 -12.708 -6.164 188 HB3 CYS 26 HB1 CYS 26 3.294 -12.403 -4.505 189 H GLY 27 H GLY 27 1.942 -9.948 -4.597 190 HA2 GLY 27 HA2 GLY 27 0.319 -8.987 -3.270 191 HA3 GLY 27 HA1 GLY 27 -0.584 -10.567 -3.260 192 H LEU 28 H LEU 28 2.905 -10.625 -2.868 193 HA LEU 28 HA LEU 28 2.625 -11.901 -0.366 194 HB2 LEU 28 HB2 LEU 28 5.071 -10.614 -1.723 195 HB3 LEU 28 HB1 LEU 28 5.157 -11.511 -0.162 196 HG LEU 28 HG LEU 28 4.103 -12.707 -2.775 197 HD11 LEU 28 HD11 LEU 28 6.880 -12.259 -1.858 198 HD12 LEU 28 HD12 LEU 28 6.261 -12.818 -3.458 199 HD13 LEU 28 HD13 LEU 28 6.531 -14.008 -2.129 200 HD21 LEU 28 HD21 LEU 28 3.168 -14.073 -1.128 201 HD22 LEU 28 HD22 LEU 28 4.507 -13.778 0.046 202 HD23 LEU 28 HD23 LEU 28 4.762 -14.887 -1.355 203 H CYS 29 H CYS 29 3.342 -8.550 -1.456 204 HA CYS 29 HA CYS 29 2.723 -7.716 1.263 205 HB2 CYS 29 HB2 CYS 29 5.206 -7.708 1.290 206 HB3 CYS 29 HB1 CYS 29 5.229 -6.872 -0.298 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 6.190 -1.043 -0.146 2 H2 CYS 1 HT2 CYS 1 4.868 -1.339 -1.171 3 H3 CYS 1 HT3 CYS 1 6.165 -0.383 -1.712 4 HA CYS 1 HA CYS 1 7.625 -2.200 -1.759 5 HB2 CYS 1 HB2 CYS 1 6.670 -4.567 -1.223 6 HB3 CYS 1 HB1 CYS 1 7.048 -3.502 0.173 7 H GLU 2 H GLU 2 7.827 -2.511 -3.952 8 HA GLU 2 HA GLU 2 5.400 -3.440 -5.297 9 HB2 GLU 2 HB3 GLU 2 7.579 -1.535 -6.329 10 HB3 GLU 2 HB2 GLU 2 6.366 -2.330 -7.398 11 HG2 GLU 2 HG2 GLU 2 4.510 -1.183 -6.269 12 HG3 GLU 2 HG1 GLU 2 5.636 -0.497 -5.043 13 H ASN 3 H ASN 3 6.325 -4.274 -7.685 14 HA ASN 3 HA ASN 3 7.975 -6.476 -6.873 15 HB2 ASN 3 HB2 ASN 3 7.979 -6.789 -9.570 16 HB3 ASN 3 HB1 ASN 3 6.546 -7.252 -8.586 17 HD21 ASN 3 HD21 ASN 3 4.779 -6.780 -9.817 18 HD22 ASN 3 HD22 ASN 3 4.474 -5.263 -10.594 19 H THR 4 H THR 4 10.113 -6.988 -7.974 20 HA THR 4 HA THR 4 11.508 -4.439 -8.394 21 HB THR 4 HB THR 4 13.608 -5.763 -8.073 22 HG1 THR 4 HG1 THR 4 12.651 -7.913 -6.968 23 HG21 THR 4 HG21 THR 4 13.359 -6.031 -5.663 24 HG22 THR 4 HG22 THR 4 11.575 -6.261 -5.810 25 HG23 THR 4 HG23 THR 4 12.309 -4.648 -6.153 26 H ILE 5 H ILE 5 9.941 -6.839 -10.152 27 HA ILE 5 HA ILE 5 11.712 -6.266 -12.410 28 HB ILE 5 HB ILE 5 11.271 -8.559 -13.314 29 HG12 ILE 5 HG12 ILE 5 10.206 -9.123 -10.472 30 HG13 ILE 5 HG11 ILE 5 9.163 -8.895 -11.917 31 HG21 ILE 5 HG21 ILE 5 13.340 -7.805 -11.909 32 HG22 ILE 5 HG22 ILE 5 13.045 -9.580 -12.047 33 HG23 ILE 5 HG23 ILE 5 12.593 -8.705 -10.535 34 HD11 ILE 5 HD11 ILE 5 10.094 -10.877 -13.010 35 HD12 ILE 5 HD12 ILE 5 9.639 -11.338 -11.326 36 HD13 ILE 5 HD13 ILE 5 11.369 -11.041 -11.745 37 H SER 6 H SER 6 10.504 -6.652 -14.562 38 HA SER 6 HA SER 6 7.708 -5.908 -14.076 39 HB2 SER 6 HB3 SER 6 9.326 -4.315 -15.467 40 HB3 SER 6 HB2 SER 6 9.147 -5.571 -16.759 41 HG SER 6 HG SER 6 7.572 -3.623 -16.346 42 H GLY 7 H GLY 7 6.424 -6.567 -16.377 43 HA2 GLY 7 HA2 GLY 7 5.685 -8.287 -17.613 44 HA3 GLY 7 HA1 GLY 7 7.316 -9.069 -17.400 45 H CYS 8 H CYS 8 5.201 -7.919 -14.762 46 HA CYS 8 HA CYS 8 5.371 -10.539 -13.615 47 HB2 CYS 8 HB2 CYS 8 3.924 -7.975 -12.739 48 HB3 CYS 8 HB1 CYS 8 3.834 -9.518 -11.824 49 H SER 9 H SER 9 3.569 -11.955 -13.177 50 HA SER 9 HA SER 9 1.101 -11.203 -14.521 51 HB2 SER 9 HB2 SER 9 2.564 -13.884 -14.967 52 HB3 SER 9 HB1 SER 9 0.890 -13.506 -15.538 53 HG SER 9 HG SER 9 2.672 -11.592 -16.250 54 H ARG 10 H ARG 10 -0.739 -12.680 -13.766 55 HA ARG 10 HA ARG 10 -0.456 -13.017 -10.964 56 HB2 ARG 10 HB3 ARG 10 -2.735 -13.917 -10.963 57 HB3 ARG 10 HB2 ARG 10 -2.688 -12.525 -12.096 58 HG2 ARG 10 HG2 ARG 10 -2.432 -14.097 -14.028 59 HG3 ARG 10 HG1 ARG 10 -2.489 -15.492 -12.897 60 HD2 ARG 10 HD3 ARG 10 -4.775 -13.416 -13.199 61 HD3 ARG 10 HD2 ARG 10 -4.725 -15.040 -14.021 62 HE ARG 10 HE ARG 10 -4.285 -15.496 -11.242 63 HH11 ARG 10 HH11 ARG 10 -6.761 -14.186 -13.441 64 HH12 ARG 10 HH12 ARG 10 -8.106 -14.654 -12.455 65 HH21 ARG 10 HH21 ARG 10 -6.120 -16.134 -9.898 66 HH22 ARG 10 HH22 ARG 10 -7.736 -15.779 -10.409 67 H ALA 11 H ALA 11 0.197 -14.995 -13.795 68 HA ALA 11 HA ALA 11 -0.009 -17.464 -12.357 69 HB1 ALA 11 HB1 ALA 11 -0.262 -17.430 -14.881 70 HB2 ALA 11 HB2 ALA 11 1.090 -18.505 -14.356 71 HB3 ALA 11 HB3 ALA 11 1.446 -16.861 -15.008 72 H ASP 12 H ASP 12 2.143 -14.811 -12.329 73 HA ASP 12 HA ASP 12 4.519 -16.400 -11.987 74 HB2 ASP 12 HB2 ASP 12 4.183 -13.763 -12.716 75 HB3 ASP 12 HB1 ASP 12 4.424 -13.567 -10.945 76 H CYS 13 H CYS 13 1.746 -15.502 -10.126 77 HA CYS 13 HA CYS 13 3.145 -15.438 -7.607 78 HB2 CYS 13 HB2 CYS 13 0.842 -14.281 -8.141 79 HB3 CYS 13 HB1 CYS 13 0.153 -15.927 -7.996 80 H LEU 14 H LEU 14 2.084 -17.801 -9.874 81 HA LEU 14 HA LEU 14 1.621 -19.792 -7.834 82 HB2 LEU 14 HB3 LEU 14 1.803 -19.988 -10.898 83 HB3 LEU 14 HB2 LEU 14 1.448 -21.379 -9.809 84 HG LEU 14 HG LEU 14 -0.239 -18.835 -9.772 85 HD11 LEU 14 HD11 LEU 14 -0.119 -20.898 -11.893 86 HD12 LEU 14 HD12 LEU 14 -0.957 -19.300 -11.865 87 HD13 LEU 14 HD13 LEU 14 -1.760 -20.754 -11.161 88 HD21 LEU 14 HD21 LEU 14 -0.805 -20.055 -7.855 89 HD22 LEU 14 HD22 LEU 14 -0.494 -21.653 -8.634 90 HD23 LEU 14 HD23 LEU 14 -1.985 -20.723 -9.045 91 H LEU 15 H LEU 15 4.303 -18.225 -9.161 92 HA LEU 15 HA LEU 15 5.901 -20.673 -8.993 93 HB2 LEU 15 HB2 LEU 15 6.685 -17.891 -10.050 94 HB3 LEU 15 HB1 LEU 15 7.733 -19.351 -10.052 95 HG LEU 15 HG LEU 15 5.099 -19.025 -11.582 96 HD11 LEU 15 HD11 LEU 15 7.937 -19.267 -12.747 97 HD12 LEU 15 HD12 LEU 15 7.118 -17.689 -12.439 98 HD13 LEU 15 HD13 LEU 15 6.406 -18.862 -13.610 99 HD21 LEU 15 HD21 LEU 15 6.064 -21.221 -12.738 100 HD22 LEU 15 HD22 LEU 15 5.165 -21.342 -11.178 101 HD23 LEU 15 HD23 LEU 15 6.968 -21.410 -11.188 102 H THR 16 H THR 16 7.467 -20.872 -7.345 103 HA THR 16 HA THR 16 7.279 -18.739 -5.370 104 HB THR 16 HB THR 16 8.356 -20.343 -3.821 105 HG1 THR 16 HG1 THR 16 8.617 -22.482 -4.635 106 HG21 THR 16 HG21 THR 16 5.796 -20.300 -4.359 107 HG22 THR 16 HG22 THR 16 6.450 -21.767 -3.538 108 HG23 THR 16 HG23 THR 16 6.108 -21.802 -5.310 109 H HIS 17 H HIS 17 9.135 -19.571 -8.045 110 HA HIS 17 HA HIS 17 11.579 -18.642 -6.712 111 HB2 HIS 17 HB2 HIS 17 11.216 -20.043 -9.427 112 HB3 HIS 17 HB1 HIS 17 12.792 -19.445 -8.781 113 HD2 HIS 17 HD2 HIS 17 10.104 -22.306 -7.921 114 HE1 HIS 17 HE1 HIS 17 13.850 -23.227 -6.188 115 HE2 HIS 17 HE2 HIS 17 11.480 -24.037 -6.629 116 H ARG 18 H ARG 18 8.920 -17.364 -8.129 117 HA ARG 18 HA ARG 18 10.556 -15.290 -9.384 118 HB2 ARG 18 HB2 ARG 18 8.037 -16.616 -10.496 119 HB3 ARG 18 HB1 ARG 18 8.512 -14.955 -10.970 120 HG2 ARG 18 HG2 ARG 18 10.549 -17.205 -11.196 121 HG3 ARG 18 HG1 ARG 18 9.255 -17.054 -12.434 122 HD2 ARG 18 HD2 ARG 18 11.136 -14.716 -11.651 123 HD3 ARG 18 HD1 ARG 18 11.431 -15.845 -13.048 124 HE ARG 18 HE ARG 18 8.745 -14.811 -13.239 125 HH11 ARG 18 HH11 ARG 18 12.168 -13.839 -13.452 126 HH12 ARG 18 HH12 ARG 18 11.894 -12.560 -14.587 127 HH21 ARG 18 HH21 ARG 18 8.375 -13.064 -14.790 128 HH22 ARG 18 HH22 ARG 18 9.704 -12.112 -15.360 129 H LYS 19 H LYS 19 8.234 -16.287 -7.064 130 HA LYS 19 HA LYS 19 6.582 -13.995 -7.147 131 HB2 LYS 19 HB3 LYS 19 5.813 -14.640 -4.900 132 HB3 LYS 19 HB2 LYS 19 5.907 -16.102 -5.938 133 HG2 LYS 19 HG2 LYS 19 8.171 -16.624 -4.968 134 HG3 LYS 19 HG1 LYS 19 8.010 -15.200 -3.884 135 HD2 LYS 19 HD2 LYS 19 5.947 -16.213 -2.898 136 HD3 LYS 19 HD1 LYS 19 6.137 -17.642 -3.960 137 HE2 LYS 19 HE3 LYS 19 8.346 -18.154 -2.882 138 HE3 LYS 19 HE2 LYS 19 8.153 -16.706 -1.806 139 HZ1 LYS 19 HZ1 LYS 19 7.174 -19.285 -1.450 140 HZ2 LYS 19 HZ2 LYS 19 5.825 -18.285 -1.700 141 HZ3 LYS 19 HZ3 LYS 19 6.939 -17.918 -0.471 142 H GLN 20 H GLN 20 9.845 -14.668 -6.048 143 HA GLN 20 HA GLN 20 9.919 -12.639 -4.079 144 HB2 GLN 20 HB2 GLN 20 12.152 -13.901 -5.777 145 HB3 GLN 20 HB1 GLN 20 12.454 -12.699 -4.471 146 HG2 GLN 20 HG3 GLN 20 11.561 -14.222 -2.748 147 HG3 GLN 20 HG2 GLN 20 11.026 -15.399 -4.017 148 HE21 GLN 20 HE21 GLN 20 12.989 -15.796 -1.794 149 HE22 GLN 20 HE22 GLN 20 14.479 -16.257 -2.543 150 H GLY 21 H GLY 21 10.551 -12.804 -7.638 151 HA2 GLY 21 HA2 GLY 21 11.439 -10.089 -7.704 152 HA3 GLY 21 HA1 GLY 21 10.983 -11.160 -9.105 153 H CYS 22 H CYS 22 8.383 -11.876 -8.560 154 HA CYS 22 HA CYS 22 7.096 -9.237 -8.639 155 HB2 CYS 22 HB2 CYS 22 6.156 -11.974 -9.668 156 HB3 CYS 22 HB1 CYS 22 5.135 -10.498 -9.650 157 H GLN 23 H GLN 23 7.044 -9.002 -6.317 158 HA GLN 23 HA GLN 23 5.522 -11.088 -4.972 159 HB2 GLN 23 HB2 GLN 23 6.362 -10.286 -2.923 160 HB3 GLN 23 HB1 GLN 23 7.727 -9.930 -4.021 161 HG2 GLN 23 HG2 GLN 23 6.588 -7.567 -4.346 162 HG3 GLN 23 HG1 GLN 23 5.667 -7.990 -2.848 163 HE21 GLN 23 HE21 GLN 23 8.958 -7.567 -4.236 164 HE22 GLN 23 HE22 GLN 23 9.766 -7.308 -2.730 165 H LYS 24 H LYS 24 5.342 -7.811 -6.268 166 HA LYS 24 HA LYS 24 3.104 -7.036 -4.703 167 HB2 LYS 24 HB2 LYS 24 4.548 -5.344 -5.895 168 HB3 LYS 24 HB1 LYS 24 3.994 -6.028 -7.462 169 HG2 LYS 24 HG2 LYS 24 1.634 -5.408 -6.906 170 HG3 LYS 24 HG1 LYS 24 2.187 -4.716 -5.341 171 HD2 LYS 24 HD2 LYS 24 3.609 -3.072 -6.573 172 HD3 LYS 24 HD1 LYS 24 3.071 -3.769 -8.138 173 HE2 LYS 24 HE3 LYS 24 0.702 -3.111 -7.621 174 HE3 LYS 24 HE2 LYS 24 1.245 -2.411 -6.039 175 HZ1 LYS 24 HZ1 LYS 24 2.731 -1.493 -8.339 176 HZ2 LYS 24 HZ2 LYS 24 2.043 -0.631 -7.047 177 HZ3 LYS 24 HZ3 LYS 24 1.082 -1.090 -8.369 178 H THR 25 H THR 25 3.618 -8.731 -7.829 179 HA THR 25 HA THR 25 0.803 -8.610 -8.420 180 HB THR 25 HB THR 25 2.940 -8.957 -10.071 181 HG1 THR 25 HG1 THR 25 0.476 -8.885 -10.346 182 HG21 THR 25 HG21 THR 25 3.384 -11.208 -8.848 183 HG22 THR 25 HG22 THR 25 3.280 -11.287 -10.646 184 HG23 THR 25 HG23 THR 25 1.882 -11.821 -9.638 185 H CYS 26 H CYS 26 2.988 -10.595 -6.540 186 HA CYS 26 HA CYS 26 1.294 -12.894 -6.705 187 HB2 CYS 26 HB2 CYS 26 3.916 -12.693 -6.058 188 HB3 CYS 26 HB1 CYS 26 3.226 -12.486 -4.422 189 H GLY 27 H GLY 27 1.789 -10.028 -4.596 190 HA2 GLY 27 HA2 GLY 27 0.016 -9.151 -3.371 191 HA3 GLY 27 HA1 GLY 27 -0.703 -10.819 -3.266 192 H LEU 28 H LEU 28 2.713 -10.801 -2.914 193 HA LEU 28 HA LEU 28 2.497 -11.723 -0.261 194 HB2 LEU 28 HB2 LEU 28 4.915 -10.665 -1.839 195 HB3 LEU 28 HB1 LEU 28 5.035 -11.362 -0.184 196 HG LEU 28 HG LEU 28 3.874 -12.855 -2.590 197 HD11 LEU 28 HD11 LEU 28 6.235 -14.168 -2.062 198 HD12 LEU 28 HD12 LEU 28 6.719 -12.470 -1.686 199 HD13 LEU 28 HD13 LEU 28 6.053 -12.880 -3.312 200 HD21 LEU 28 HD21 LEU 28 4.391 -13.577 0.324 201 HD22 LEU 28 HD22 LEU 28 4.561 -14.853 -0.940 202 HD23 LEU 28 HD23 LEU 28 2.993 -13.983 -0.742 203 H CYS 29 H CYS 29 3.242 -8.551 -1.796 204 HA CYS 29 HA CYS 29 2.669 -7.350 0.787 205 HB2 CYS 29 HB2 CYS 29 5.245 -7.581 0.595 206 HB3 CYS 29 HB1 CYS 29 5.127 -6.524 -0.854 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 5.338 -0.807 -1.900 2 H2 CYS 1 HT2 CYS 1 6.627 -0.561 -0.820 3 H3 CYS 1 HT3 CYS 1 5.290 -1.496 -0.345 4 HA CYS 1 HA CYS 1 7.630 -2.252 -1.756 5 HB2 CYS 1 HB2 CYS 1 6.624 -4.611 -1.243 6 HB3 CYS 1 HB1 CYS 1 7.029 -3.564 0.159 7 H GLU 2 H GLU 2 7.854 -2.571 -3.946 8 HA GLU 2 HA GLU 2 5.431 -3.466 -5.322 9 HB2 GLU 2 HB3 GLU 2 7.637 -1.578 -6.324 10 HB3 GLU 2 HB2 GLU 2 6.432 -2.361 -7.409 11 HG2 GLU 2 HG2 GLU 2 4.571 -1.204 -6.289 12 HG3 GLU 2 HG1 GLU 2 5.695 -0.521 -5.061 13 H ASN 3 H ASN 3 6.363 -4.312 -7.696 14 HA ASN 3 HA ASN 3 7.999 -6.522 -6.871 15 HB2 ASN 3 HB2 ASN 3 7.999 -6.869 -9.555 16 HB3 ASN 3 HB1 ASN 3 6.549 -7.289 -8.577 17 HD21 ASN 3 HD21 ASN 3 4.823 -6.815 -9.871 18 HD22 ASN 3 HD22 ASN 3 4.548 -5.297 -10.655 19 H THR 4 H THR 4 10.135 -7.047 -7.960 20 HA THR 4 HA THR 4 11.546 -4.510 -8.381 21 HB THR 4 HB THR 4 13.638 -5.854 -8.084 22 HG1 THR 4 HG1 THR 4 12.690 -8.012 -7.004 23 HG21 THR 4 HG21 THR 4 11.606 -6.360 -5.819 24 HG22 THR 4 HG22 THR 4 12.366 -4.754 -6.141 25 HG23 THR 4 HG23 THR 4 13.394 -6.162 -5.673 26 H ILE 5 H ILE 5 9.946 -6.875 -10.156 27 HA ILE 5 HA ILE 5 11.717 -6.303 -12.415 28 HB ILE 5 HB ILE 5 11.231 -8.583 -13.339 29 HG12 ILE 5 HG12 ILE 5 10.199 -9.160 -10.489 30 HG13 ILE 5 HG11 ILE 5 9.136 -8.898 -11.914 31 HG21 ILE 5 HG21 ILE 5 12.584 -8.756 -10.576 32 HG22 ILE 5 HG22 ILE 5 13.328 -7.869 -11.960 33 HG23 ILE 5 HG23 ILE 5 13.002 -9.640 -12.093 34 HD11 ILE 5 HD11 ILE 5 9.713 -11.369 -11.255 35 HD12 ILE 5 HD12 ILE 5 11.339 -11.035 -11.963 36 HD13 ILE 5 HD13 ILE 5 9.863 -10.907 -12.991 37 H SER 6 H SER 6 10.498 -6.656 -14.568 38 HA SER 6 HA SER 6 7.707 -5.892 -14.072 39 HB2 SER 6 HB3 SER 6 9.330 -4.270 -15.416 40 HB3 SER 6 HB2 SER 6 9.164 -5.494 -16.737 41 HG SER 6 HG SER 6 7.574 -3.553 -16.255 42 H GLY 7 H GLY 7 6.388 -6.504 -16.341 43 HA2 GLY 7 HA2 GLY 7 5.635 -8.188 -17.616 44 HA3 GLY 7 HA1 GLY 7 7.278 -8.960 -17.469 45 H CYS 8 H CYS 8 5.229 -7.923 -14.739 46 HA CYS 8 HA CYS 8 5.446 -10.582 -13.693 47 HB2 CYS 8 HB2 CYS 8 4.030 -8.052 -12.688 48 HB3 CYS 8 HB1 CYS 8 3.945 -9.627 -11.830 49 H SER 9 H SER 9 3.663 -12.016 -13.242 50 HA SER 9 HA SER 9 1.171 -11.238 -14.536 51 HB2 SER 9 HB2 SER 9 2.605 -13.938 -14.967 52 HB3 SER 9 HB1 SER 9 0.930 -13.546 -15.530 53 HG SER 9 HG SER 9 2.841 -11.709 -16.246 54 H ARG 10 H ARG 10 -0.675 -12.672 -13.738 55 HA ARG 10 HA ARG 10 -0.345 -13.008 -10.936 56 HB2 ARG 10 HB3 ARG 10 -2.647 -13.874 -10.901 57 HB3 ARG 10 HB2 ARG 10 -2.583 -12.447 -11.989 58 HG2 ARG 10 HG2 ARG 10 -2.435 -13.939 -13.979 59 HG3 ARG 10 HG1 ARG 10 -2.456 -15.383 -12.909 60 HD2 ARG 10 HD3 ARG 10 -4.742 -13.289 -13.016 61 HD3 ARG 10 HD2 ARG 10 -4.730 -14.858 -13.937 62 HE ARG 10 HE ARG 10 -4.190 -15.499 -11.217 63 HH11 ARG 10 HH11 ARG 10 -6.738 -14.005 -13.208 64 HH12 ARG 10 HH12 ARG 10 -8.046 -14.521 -12.197 65 HH21 ARG 10 HH21 ARG 10 -5.976 -16.202 -9.839 66 HH22 ARG 10 HH22 ARG 10 -7.606 -15.789 -10.252 67 H ALA 11 H ALA 11 0.325 -14.961 -13.743 68 HA ALA 11 HA ALA 11 -0.004 -17.447 -12.346 69 HB1 ALA 11 HB1 ALA 11 1.497 -16.857 -14.973 70 HB2 ALA 11 HB2 ALA 11 -0.227 -17.383 -14.870 71 HB3 ALA 11 HB3 ALA 11 1.090 -18.499 -14.342 72 H ASP 12 H ASP 12 2.246 -14.863 -12.295 73 HA ASP 12 HA ASP 12 4.539 -16.562 -11.904 74 HB2 ASP 12 HB2 ASP 12 4.086 -13.699 -12.313 75 HB3 ASP 12 HB1 ASP 12 5.025 -13.939 -10.802 76 H CYS 13 H CYS 13 1.786 -15.543 -10.110 77 HA CYS 13 HA CYS 13 3.136 -15.446 -7.572 78 HB2 CYS 13 HB2 CYS 13 0.850 -14.287 -8.164 79 HB3 CYS 13 HB1 CYS 13 0.147 -15.927 -8.011 80 H LEU 14 H LEU 14 2.061 -17.842 -9.811 81 HA LEU 14 HA LEU 14 1.593 -19.799 -7.740 82 HB2 LEU 14 HB3 LEU 14 1.784 -20.062 -10.799 83 HB3 LEU 14 HB2 LEU 14 1.383 -21.413 -9.677 84 HG LEU 14 HG LEU 14 -0.242 -18.832 -9.704 85 HD11 LEU 14 HD11 LEU 14 -0.099 -20.838 -11.847 86 HD12 LEU 14 HD12 LEU 14 -1.010 -19.282 -11.777 87 HD13 LEU 14 HD13 LEU 14 -1.746 -20.793 -11.115 88 HD21 LEU 14 HD21 LEU 14 -0.834 -20.054 -7.782 89 HD22 LEU 14 HD22 LEU 14 -0.618 -21.653 -8.591 90 HD23 LEU 14 HD23 LEU 14 -2.053 -20.630 -8.982 91 H LEU 15 H LEU 15 4.273 -18.276 -9.154 92 HA LEU 15 HA LEU 15 5.865 -20.721 -8.881 93 HB2 LEU 15 HB2 LEU 15 6.637 -18.022 -10.143 94 HB3 LEU 15 HB1 LEU 15 7.680 -19.484 -10.067 95 HG LEU 15 HG LEU 15 5.016 -19.244 -11.564 96 HD11 LEU 15 HD11 LEU 15 7.785 -18.600 -12.332 97 HD12 LEU 15 HD12 LEU 15 6.245 -18.332 -13.231 98 HD13 LEU 15 HD13 LEU 15 7.115 -19.907 -13.380 99 HD21 LEU 15 HD21 LEU 15 5.920 -21.527 -12.578 100 HD22 LEU 15 HD22 LEU 15 5.076 -21.527 -10.983 101 HD23 LEU 15 HD23 LEU 15 6.877 -21.616 -11.049 102 H THR 16 H THR 16 7.496 -20.803 -7.278 103 HA THR 16 HA THR 16 7.331 -18.571 -5.420 104 HB THR 16 HB THR 16 8.552 -20.072 -3.849 105 HG1 THR 16 HG1 THR 16 8.431 -22.356 -4.780 106 HG21 THR 16 HG21 THR 16 5.990 -20.029 -4.099 107 HG22 THR 16 HG22 THR 16 6.676 -21.544 -3.400 108 HG23 THR 16 HG23 THR 16 6.151 -21.503 -5.125 109 H HIS 17 H HIS 17 9.127 -19.539 -8.100 110 HA HIS 17 HA HIS 17 11.601 -18.525 -6.910 111 HB2 HIS 17 HB2 HIS 17 11.099 -19.913 -9.610 112 HB3 HIS 17 HB1 HIS 17 12.701 -19.284 -9.066 113 HD2 HIS 17 HD2 HIS 17 11.225 -20.919 -5.975 114 HE1 HIS 17 HE1 HIS 17 13.223 -23.994 -8.081 115 HE2 HIS 17 HE2 HIS 17 12.151 -23.304 -5.881 116 H ARG 18 H ARG 18 8.839 -17.306 -8.224 117 HA ARG 18 HA ARG 18 10.379 -15.184 -9.521 118 HB2 ARG 18 HB2 ARG 18 7.799 -16.509 -10.502 119 HB3 ARG 18 HB1 ARG 18 8.289 -14.860 -11.021 120 HG2 ARG 18 HG2 ARG 18 10.210 -17.217 -11.322 121 HG3 ARG 18 HG1 ARG 18 8.914 -16.929 -12.531 122 HD2 ARG 18 HD2 ARG 18 10.950 -14.742 -11.710 123 HD3 ARG 18 HD1 ARG 18 11.190 -15.871 -13.117 124 HE ARG 18 HE ARG 18 8.575 -14.679 -13.321 125 HH11 ARG 18 HH11 ARG 18 12.048 -13.902 -13.486 126 HH12 ARG 18 HH12 ARG 18 11.860 -12.596 -14.607 127 HH21 ARG 18 HH21 ARG 18 8.320 -12.897 -14.851 128 HH22 ARG 18 HH22 ARG 18 9.708 -12.015 -15.394 129 H LYS 19 H LYS 19 8.181 -16.238 -7.097 130 HA LYS 19 HA LYS 19 6.525 -13.938 -7.083 131 HB2 LYS 19 HB3 LYS 19 5.775 -14.648 -4.867 132 HB3 LYS 19 HB2 LYS 19 5.905 -16.106 -5.908 133 HG2 LYS 19 HG2 LYS 19 8.179 -16.576 -4.942 134 HG3 LYS 19 HG1 LYS 19 7.993 -15.153 -3.861 135 HD2 LYS 19 HD2 LYS 19 5.948 -16.207 -2.871 136 HD3 LYS 19 HD1 LYS 19 6.179 -17.639 -3.920 137 HE2 LYS 19 HE3 LYS 19 8.399 -18.081 -2.833 138 HE3 LYS 19 HE2 LYS 19 8.166 -16.629 -1.772 139 HZ1 LYS 19 HZ1 LYS 19 6.738 -17.722 -0.503 140 HZ2 LYS 19 HZ2 LYS 19 7.418 -19.126 -1.173 141 HZ3 LYS 19 HZ3 LYS 19 5.963 -18.509 -1.793 142 H GLN 20 H GLN 20 9.809 -14.679 -6.080 143 HA GLN 20 HA GLN 20 9.953 -12.696 -4.067 144 HB2 GLN 20 HB2 GLN 20 12.135 -13.945 -5.840 145 HB3 GLN 20 HB1 GLN 20 12.477 -12.788 -4.505 146 HG2 GLN 20 HG3 GLN 20 11.462 -14.370 -2.838 147 HG3 GLN 20 HG2 GLN 20 11.110 -15.538 -4.177 148 HE21 GLN 20 HE21 GLN 20 12.529 -17.205 -3.731 149 HE22 GLN 20 HE22 GLN 20 14.248 -17.033 -3.651 150 H GLY 21 H GLY 21 10.531 -12.790 -7.641 151 HA2 GLY 21 HA2 GLY 21 11.411 -10.063 -7.637 152 HA3 GLY 21 HA1 GLY 21 10.997 -11.112 -9.066 153 H CYS 22 H CYS 22 8.395 -11.894 -8.501 154 HA CYS 22 HA CYS 22 7.067 -9.278 -8.627 155 HB2 CYS 22 HB2 CYS 22 6.132 -12.046 -9.573 156 HB3 CYS 22 HB1 CYS 22 5.140 -10.553 -9.637 157 H GLN 23 H GLN 23 7.041 -9.020 -6.293 158 HA GLN 23 HA GLN 23 5.525 -11.098 -4.926 159 HB2 GLN 23 HB2 GLN 23 6.359 -10.268 -2.883 160 HB3 GLN 23 HB1 GLN 23 7.726 -9.933 -3.985 161 HG2 GLN 23 HG2 GLN 23 6.598 -7.571 -4.343 162 HG3 GLN 23 HG1 GLN 23 5.673 -7.969 -2.842 163 HE21 GLN 23 HE21 GLN 23 8.992 -7.669 -4.223 164 HE22 GLN 23 HE22 GLN 23 9.789 -7.359 -2.722 165 H LYS 24 H LYS 24 5.348 -7.807 -6.218 166 HA LYS 24 HA LYS 24 3.087 -7.063 -4.666 167 HB2 LYS 24 HB2 LYS 24 4.542 -5.348 -5.818 168 HB3 LYS 24 HB1 LYS 24 4.001 -6.008 -7.400 169 HG2 LYS 24 HG2 LYS 24 1.638 -5.402 -6.856 170 HG3 LYS 24 HG1 LYS 24 2.172 -4.742 -5.271 171 HD2 LYS 24 HD2 LYS 24 3.603 -3.069 -6.454 172 HD3 LYS 24 HD1 LYS 24 3.079 -3.732 -8.039 173 HE2 LYS 24 HE3 LYS 24 0.705 -3.090 -7.528 174 HE3 LYS 24 HE2 LYS 24 1.230 -2.427 -5.923 175 HZ1 LYS 24 HZ1 LYS 24 1.065 -1.024 -8.181 176 HZ2 LYS 24 HZ2 LYS 24 2.704 -1.462 -8.229 177 HZ3 LYS 24 HZ3 LYS 24 2.086 -0.635 -6.882 178 H THR 25 H THR 25 3.648 -8.705 -7.815 179 HA THR 25 HA THR 25 0.848 -8.587 -8.454 180 HB THR 25 HB THR 25 3.042 -8.970 -10.046 181 HG1 THR 25 HG1 THR 25 0.514 -8.912 -10.324 182 HG21 THR 25 HG21 THR 25 1.863 -11.796 -9.665 183 HG22 THR 25 HG22 THR 25 3.376 -11.247 -8.847 184 HG23 THR 25 HG23 THR 25 3.298 -11.310 -10.646 185 H CYS 26 H CYS 26 2.995 -10.590 -6.543 186 HA CYS 26 HA CYS 26 1.284 -12.876 -6.727 187 HB2 CYS 26 HB2 CYS 26 3.896 -12.708 -6.055 188 HB3 CYS 26 HB1 CYS 26 3.200 -12.468 -4.426 189 H GLY 27 H GLY 27 1.774 -10.012 -4.616 190 HA2 GLY 27 HA2 GLY 27 -0.000 -9.122 -3.408 191 HA3 GLY 27 HA1 GLY 27 -0.738 -10.783 -3.315 192 H LEU 28 H LEU 28 2.678 -10.787 -2.928 193 HA LEU 28 HA LEU 28 2.430 -11.726 -0.284 194 HB2 LEU 28 HB2 LEU 28 4.870 -10.666 -1.830 195 HB3 LEU 28 HB1 LEU 28 4.969 -11.376 -0.179 196 HG LEU 28 HG LEU 28 3.827 -12.846 -2.608 197 HD11 LEU 28 HD11 LEU 28 6.198 -14.158 -2.014 198 HD12 LEU 28 HD12 LEU 28 6.659 -12.439 -1.713 199 HD13 LEU 28 HD13 LEU 28 5.998 -12.930 -3.319 200 HD21 LEU 28 HD21 LEU 28 4.478 -14.862 -0.976 201 HD22 LEU 28 HD22 LEU 28 2.920 -13.975 -0.769 202 HD23 LEU 28 HD23 LEU 28 4.321 -13.599 0.304 203 H CYS 29 H CYS 29 3.205 -8.547 -1.789 204 HA CYS 29 HA CYS 29 2.623 -7.364 0.803 205 HB2 CYS 29 HB2 CYS 29 5.195 -7.583 0.618 206 HB3 CYS 29 HB1 CYS 29 5.082 -6.538 -0.839 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 4.009 -1.749 -1.663 2 H2 CYS 1 HT2 CYS 1 5.186 -0.964 -0.720 3 H3 CYS 1 HT3 CYS 1 4.495 -2.420 -0.177 4 HA CYS 1 HA CYS 1 6.823 -2.178 -1.509 5 HB2 CYS 1 HB2 CYS 1 4.938 -4.605 -1.501 6 HB3 CYS 1 HB1 CYS 1 6.714 -4.666 -1.753 7 H GLU 2 H GLU 2 7.455 -3.566 -3.602 8 HA GLU 2 HA GLU 2 5.413 -3.441 -5.613 9 HB2 GLU 2 HB3 GLU 2 6.636 -2.008 -7.194 10 HB3 GLU 2 HB2 GLU 2 6.356 -1.079 -5.676 11 HG2 GLU 2 HG2 GLU 2 8.712 -1.713 -4.904 12 HG3 GLU 2 HG1 GLU 2 8.979 -2.472 -6.523 13 H ASN 3 H ASN 3 6.440 -4.302 -7.784 14 HA ASN 3 HA ASN 3 8.022 -6.561 -6.967 15 HB2 ASN 3 HB2 ASN 3 8.032 -6.878 -9.650 16 HB3 ASN 3 HB1 ASN 3 6.570 -7.291 -8.686 17 HD21 ASN 3 HD21 ASN 3 4.799 -6.724 -9.850 18 HD22 ASN 3 HD22 ASN 3 4.569 -5.216 -10.670 19 H THR 4 H THR 4 10.156 -7.089 -8.046 20 HA THR 4 HA THR 4 11.584 -4.556 -8.445 21 HB THR 4 HB THR 4 13.666 -5.911 -8.126 22 HG1 THR 4 HG1 THR 4 12.639 -8.056 -7.041 23 HG21 THR 4 HG21 THR 4 11.617 -6.400 -5.876 24 HG22 THR 4 HG22 THR 4 12.375 -4.795 -6.202 25 HG23 THR 4 HG23 THR 4 13.403 -6.196 -5.719 26 H ILE 5 H ILE 5 9.997 -6.931 -10.233 27 HA ILE 5 HA ILE 5 11.794 -6.362 -12.477 28 HB ILE 5 HB ILE 5 11.335 -8.632 -13.409 29 HG12 ILE 5 HG12 ILE 5 10.163 -9.201 -10.611 30 HG13 ILE 5 HG11 ILE 5 9.181 -8.949 -12.094 31 HG21 ILE 5 HG21 ILE 5 13.376 -7.948 -11.930 32 HG22 ILE 5 HG22 ILE 5 13.046 -9.712 -12.109 33 HG23 ILE 5 HG23 ILE 5 12.568 -8.853 -10.596 34 HD11 ILE 5 HD11 ILE 5 9.586 -11.401 -11.505 35 HD12 ILE 5 HD12 ILE 5 11.340 -11.135 -11.839 36 HD13 ILE 5 HD13 ILE 5 10.129 -10.939 -13.162 37 H SER 6 H SER 6 10.591 -6.726 -14.643 38 HA SER 6 HA SER 6 7.815 -5.900 -14.178 39 HB2 SER 6 HB3 SER 6 9.468 -4.352 -15.561 40 HB3 SER 6 HB2 SER 6 9.302 -5.617 -16.844 41 HG SER 6 HG SER 6 7.790 -3.725 -16.739 42 H GLY 7 H GLY 7 6.480 -6.547 -16.423 43 HA2 GLY 7 HA2 GLY 7 5.683 -8.247 -17.649 44 HA3 GLY 7 HA1 GLY 7 7.310 -9.051 -17.487 45 H CYS 8 H CYS 8 5.283 -7.900 -14.783 46 HA CYS 8 HA CYS 8 5.439 -10.545 -13.680 47 HB2 CYS 8 HB2 CYS 8 4.126 -7.947 -12.706 48 HB3 CYS 8 HB1 CYS 8 3.984 -9.503 -11.822 49 H SER 9 H SER 9 3.613 -11.907 -13.183 50 HA SER 9 HA SER 9 1.120 -11.062 -14.414 51 HB2 SER 9 HB2 SER 9 2.486 -13.774 -14.965 52 HB3 SER 9 HB1 SER 9 0.800 -13.342 -15.458 53 HG SER 9 HG SER 9 2.638 -11.478 -16.206 54 H ARG 10 H ARG 10 -0.725 -12.505 -13.612 55 HA ARG 10 HA ARG 10 -0.341 -12.902 -10.828 56 HB2 ARG 10 HB3 ARG 10 -2.641 -13.707 -10.746 57 HB3 ARG 10 HB2 ARG 10 -2.594 -12.322 -11.889 58 HG2 ARG 10 HG2 ARG 10 -2.276 -14.089 -13.775 59 HG3 ARG 10 HG1 ARG 10 -2.741 -15.315 -12.544 60 HD2 ARG 10 HD3 ARG 10 -4.772 -14.699 -13.790 61 HD3 ARG 10 HD2 ARG 10 -4.901 -13.922 -12.149 62 HE ARG 10 HE ARG 10 -3.602 -12.139 -14.059 63 HH11 ARG 10 HH11 ARG 10 -6.710 -13.533 -13.015 64 HH12 ARG 10 HH12 ARG 10 -7.668 -12.193 -13.547 65 HH21 ARG 10 HH21 ARG 10 -4.911 -10.310 -14.783 66 HH22 ARG 10 HH22 ARG 10 -6.629 -10.332 -14.568 67 H ALA 11 H ALA 11 0.263 -14.802 -13.685 68 HA ALA 11 HA ALA 11 -0.040 -17.314 -12.331 69 HB1 ALA 11 HB1 ALA 11 0.953 -18.341 -14.367 70 HB2 ALA 11 HB2 ALA 11 1.444 -16.709 -14.962 71 HB3 ALA 11 HB3 ALA 11 -0.304 -17.147 -14.865 72 H ASP 12 H ASP 12 2.199 -14.734 -12.247 73 HA ASP 12 HA ASP 12 4.508 -16.440 -11.946 74 HB2 ASP 12 HB2 ASP 12 4.046 -13.570 -12.301 75 HB3 ASP 12 HB1 ASP 12 5.011 -13.830 -10.811 76 H CYS 13 H CYS 13 1.785 -15.475 -10.085 77 HA CYS 13 HA CYS 13 3.190 -15.413 -7.570 78 HB2 CYS 13 HB2 CYS 13 0.906 -14.221 -8.104 79 HB3 CYS 13 HB1 CYS 13 0.190 -15.855 -7.954 80 H LEU 14 H LEU 14 2.119 -17.773 -9.824 81 HA LEU 14 HA LEU 14 1.634 -19.745 -7.762 82 HB2 LEU 14 HB3 LEU 14 1.746 -19.965 -10.828 83 HB3 LEU 14 HB2 LEU 14 1.379 -21.338 -9.720 84 HG LEU 14 HG LEU 14 -0.247 -18.754 -9.669 85 HD11 LEU 14 HD11 LEU 14 -1.060 -19.205 -11.726 86 HD12 LEU 14 HD12 LEU 14 -1.812 -20.690 -11.028 87 HD13 LEU 14 HD13 LEU 14 -0.189 -20.782 -11.806 88 HD21 LEU 14 HD21 LEU 14 -0.787 -19.968 -7.732 89 HD22 LEU 14 HD22 LEU 14 -0.570 -21.571 -8.535 90 HD23 LEU 14 HD23 LEU 14 -2.029 -20.572 -8.894 91 H LEU 15 H LEU 15 4.326 -18.224 -9.075 92 HA LEU 15 HA LEU 15 5.870 -20.713 -8.954 93 HB2 LEU 15 HB2 LEU 15 6.538 -17.976 -10.184 94 HB3 LEU 15 HB1 LEU 15 7.741 -19.297 -9.983 95 HG LEU 15 HG LEU 15 5.135 -19.547 -11.576 96 HD11 LEU 15 HD11 LEU 15 6.738 -17.900 -12.608 97 HD12 LEU 15 HD12 LEU 15 6.483 -19.368 -13.625 98 HD13 LEU 15 HD13 LEU 15 7.998 -19.188 -12.660 99 HD21 LEU 15 HD21 LEU 15 6.565 -21.574 -12.558 100 HD22 LEU 15 HD22 LEU 15 5.666 -21.760 -11.005 101 HD23 LEU 15 HD23 LEU 15 7.445 -21.454 -10.987 102 H THR 16 H THR 16 7.513 -20.917 -7.384 103 HA THR 16 HA THR 16 7.353 -18.856 -5.333 104 HB THR 16 HB THR 16 9.009 -21.412 -5.202 105 HG1 THR 16 HG1 THR 16 6.600 -21.425 -3.938 106 HG21 THR 16 HG21 THR 16 9.518 -19.800 -3.448 107 HG22 THR 16 HG22 THR 16 8.465 -21.064 -2.707 108 HG23 THR 16 HG23 THR 16 7.770 -19.463 -3.164 109 H HIS 17 H HIS 17 9.279 -19.762 -8.068 110 HA HIS 17 HA HIS 17 11.645 -18.549 -6.844 111 HB2 HIS 17 HB2 HIS 17 11.266 -20.005 -9.525 112 HB3 HIS 17 HB1 HIS 17 12.806 -19.213 -9.024 113 HD2 HIS 17 HD2 HIS 17 11.957 -20.702 -5.777 114 HE1 HIS 17 HE1 HIS 17 13.494 -23.957 -7.993 115 HE2 HIS 17 HE2 HIS 17 12.892 -23.084 -5.683 116 H ARG 18 H ARG 18 8.865 -17.403 -8.144 117 HA ARG 18 HA ARG 18 10.347 -15.257 -9.478 118 HB2 ARG 18 HB2 ARG 18 7.749 -16.584 -10.404 119 HB3 ARG 18 HB1 ARG 18 8.270 -14.964 -10.969 120 HG2 ARG 18 HG2 ARG 18 10.128 -17.377 -11.227 121 HG3 ARG 18 HG1 ARG 18 8.830 -17.079 -12.434 122 HD2 ARG 18 HD2 ARG 18 10.942 -14.940 -11.674 123 HD3 ARG 18 HD1 ARG 18 11.121 -16.095 -13.069 124 HE ARG 18 HE ARG 18 8.546 -14.832 -13.261 125 HH11 ARG 18 HH11 ARG 18 12.033 -14.132 -13.445 126 HH12 ARG 18 HH12 ARG 18 11.868 -12.824 -14.566 127 HH21 ARG 18 HH21 ARG 18 8.320 -13.048 -14.790 128 HH22 ARG 18 HH22 ARG 18 9.724 -12.197 -15.343 129 H LYS 19 H LYS 19 8.261 -16.303 -6.980 130 HA LYS 19 HA LYS 19 6.522 -14.065 -6.974 131 HB2 LYS 19 HB3 LYS 19 5.834 -14.744 -4.752 132 HB3 LYS 19 HB2 LYS 19 6.093 -16.254 -5.693 133 HG2 LYS 19 HG2 LYS 19 8.398 -16.456 -4.709 134 HG3 LYS 19 HG1 LYS 19 8.091 -14.982 -3.728 135 HD2 LYS 19 HD2 LYS 19 6.099 -16.163 -2.705 136 HD3 LYS 19 HD1 LYS 19 6.564 -17.647 -3.593 137 HE2 LYS 19 HE3 LYS 19 8.775 -17.671 -2.400 138 HE3 LYS 19 HE2 LYS 19 8.305 -16.168 -1.504 139 HZ1 LYS 19 HZ1 LYS 19 7.059 -17.335 -0.135 140 HZ2 LYS 19 HZ2 LYS 19 7.838 -18.721 -0.732 141 HZ3 LYS 19 HZ3 LYS 19 6.332 -18.253 -1.364 142 H GLN 20 H GLN 20 9.862 -14.675 -6.010 143 HA GLN 20 HA GLN 20 9.974 -12.562 -4.122 144 HB2 GLN 20 HB2 GLN 20 12.169 -13.917 -5.796 145 HB3 GLN 20 HB1 GLN 20 12.500 -12.654 -4.556 146 HG2 GLN 20 HG3 GLN 20 11.642 -14.082 -2.744 147 HG3 GLN 20 HG2 GLN 20 11.060 -15.313 -3.939 148 HE21 GLN 20 HE21 GLN 20 13.093 -15.588 -1.741 149 HE22 GLN 20 HE22 GLN 20 14.550 -16.120 -2.508 150 H GLY 21 H GLY 21 10.581 -12.894 -7.680 151 HA2 GLY 21 HA2 GLY 21 11.492 -10.202 -7.892 152 HA3 GLY 21 HA1 GLY 21 10.968 -11.319 -9.232 153 H CYS 22 H CYS 22 8.362 -11.950 -8.467 154 HA CYS 22 HA CYS 22 7.142 -9.280 -8.624 155 HB2 CYS 22 HB2 CYS 22 6.070 -11.994 -9.581 156 HB3 CYS 22 HB1 CYS 22 5.160 -10.449 -9.636 157 H GLN 23 H GLN 23 7.010 -8.948 -6.352 158 HA GLN 23 HA GLN 23 5.530 -11.029 -4.943 159 HB2 GLN 23 HB2 GLN 23 6.402 -10.208 -2.923 160 HB3 GLN 23 HB1 GLN 23 7.746 -9.834 -4.041 161 HG2 GLN 23 HG2 GLN 23 6.572 -7.492 -4.363 162 HG3 GLN 23 HG1 GLN 23 5.662 -7.921 -2.861 163 HE21 GLN 23 HE21 GLN 23 8.893 -7.299 -4.260 164 HE22 GLN 23 HE22 GLN 23 9.719 -7.079 -2.760 165 H LYS 24 H LYS 24 5.362 -7.751 -6.266 166 HA LYS 24 HA LYS 24 3.123 -6.968 -4.710 167 HB2 LYS 24 HB2 LYS 24 4.571 -5.285 -5.910 168 HB3 LYS 24 HB1 LYS 24 4.013 -5.975 -7.474 169 HG2 LYS 24 HG2 LYS 24 1.657 -5.346 -6.919 170 HG3 LYS 24 HG1 LYS 24 2.210 -4.655 -5.355 171 HD2 LYS 24 HD2 LYS 24 3.634 -3.011 -6.585 172 HD3 LYS 24 HD1 LYS 24 3.100 -3.711 -8.152 173 HE2 LYS 24 HE3 LYS 24 0.729 -3.050 -7.641 174 HE3 LYS 24 HE2 LYS 24 1.269 -2.349 -6.059 175 HZ1 LYS 24 HZ1 LYS 24 2.933 -1.244 -7.914 176 HZ2 LYS 24 HZ2 LYS 24 1.579 -0.513 -7.197 177 HZ3 LYS 24 HZ3 LYS 24 1.432 -1.280 -8.705 178 H THR 25 H THR 25 3.634 -8.669 -7.836 179 HA THR 25 HA THR 25 0.817 -8.555 -8.417 180 HB THR 25 HB THR 25 2.944 -8.898 -10.077 181 HG1 THR 25 HG1 THR 25 0.504 -8.813 -10.369 182 HG21 THR 25 HG21 THR 25 1.912 -11.767 -9.627 183 HG22 THR 25 HG22 THR 25 3.413 -11.139 -8.847 184 HG23 THR 25 HG23 THR 25 3.301 -11.227 -10.643 185 H CYS 26 H CYS 26 3.005 -10.515 -6.522 186 HA CYS 26 HA CYS 26 1.328 -12.830 -6.682 187 HB2 CYS 26 HB2 CYS 26 3.950 -12.607 -6.035 188 HB3 CYS 26 HB1 CYS 26 3.258 -12.399 -4.401 189 H GLY 27 H GLY 27 1.847 -9.982 -4.541 190 HA2 GLY 27 HA2 GLY 27 0.078 -9.099 -3.314 191 HA3 GLY 27 HA1 GLY 27 -0.663 -10.758 -3.236 192 H LEU 28 H LEU 28 2.776 -10.697 -2.862 193 HA LEU 28 HA LEU 28 2.552 -11.722 -0.247 194 HB2 LEU 28 HB2 LEU 28 4.966 -10.551 -1.755 195 HB3 LEU 28 HB1 LEU 28 5.081 -11.307 -0.124 196 HG LEU 28 HG LEU 28 3.993 -12.731 -2.607 197 HD11 LEU 28 HD11 LEU 28 6.150 -12.842 -3.311 198 HD12 LEU 28 HD12 LEU 28 6.426 -13.974 -1.933 199 HD13 LEU 28 HD13 LEU 28 6.790 -12.217 -1.744 200 HD21 LEU 28 HD21 LEU 28 3.092 -13.937 -0.812 201 HD22 LEU 28 HD22 LEU 28 4.477 -13.565 0.286 202 HD23 LEU 28 HD23 LEU 28 4.672 -14.782 -1.031 203 H CYS 29 H CYS 29 3.233 -8.484 -1.661 204 HA CYS 29 HA CYS 29 2.518 -7.359 0.900 205 HB2 CYS 29 HB2 CYS 29 5.013 -7.560 1.141 206 HB3 CYS 29 HB1 CYS 29 5.211 -6.746 -0.448 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 6.140 -1.155 0.015 2 H2 CYS 1 HT2 CYS 1 5.106 -0.983 -1.324 3 H3 CYS 1 HT3 CYS 1 6.623 -0.214 -1.317 4 HA CYS 1 HA CYS 1 7.773 -2.107 -1.710 5 HB2 CYS 1 HB2 CYS 1 6.778 -4.436 -1.370 6 HB3 CYS 1 HB1 CYS 1 6.958 -3.479 0.138 7 H GLU 2 H GLU 2 7.904 -3.366 -3.709 8 HA GLU 2 HA GLU 2 5.506 -3.622 -5.239 9 HB2 GLU 2 HB3 GLU 2 6.254 -2.299 -7.201 10 HB3 GLU 2 HB2 GLU 2 6.082 -1.223 -5.769 11 HG2 GLU 2 HG2 GLU 2 8.585 -1.404 -5.352 12 HG3 GLU 2 HG1 GLU 2 8.726 -2.386 -6.864 13 H ASN 3 H ASN 3 6.291 -4.480 -7.601 14 HA ASN 3 HA ASN 3 8.005 -6.658 -6.935 15 HB2 ASN 3 HB2 ASN 3 7.935 -6.907 -9.624 16 HB3 ASN 3 HB1 ASN 3 6.510 -7.366 -8.628 17 HD21 ASN 3 HD21 ASN 3 4.753 -6.849 -9.862 18 HD22 ASN 3 HD22 ASN 3 4.457 -5.305 -10.584 19 H THR 4 H THR 4 10.149 -7.099 -7.928 20 HA THR 4 HA THR 4 11.506 -4.544 -8.391 21 HB THR 4 HB THR 4 13.622 -5.849 -8.106 22 HG1 THR 4 HG1 THR 4 12.683 -8.027 -7.022 23 HG21 THR 4 HG21 THR 4 13.397 -6.167 -5.695 24 HG22 THR 4 HG22 THR 4 11.613 -6.400 -5.832 25 HG23 THR 4 HG23 THR 4 12.339 -4.779 -6.154 26 H ILE 5 H ILE 5 9.931 -6.930 -10.159 27 HA ILE 5 HA ILE 5 11.694 -6.343 -12.423 28 HB ILE 5 HB ILE 5 11.215 -8.611 -13.356 29 HG12 ILE 5 HG12 ILE 5 10.129 -9.209 -10.532 30 HG13 ILE 5 HG11 ILE 5 9.090 -8.912 -11.967 31 HG21 ILE 5 HG21 ILE 5 12.512 -8.819 -10.569 32 HG22 ILE 5 HG22 ILE 5 13.291 -7.929 -11.933 33 HG23 ILE 5 HG23 ILE 5 12.951 -9.695 -12.084 34 HD11 ILE 5 HD11 ILE 5 9.836 -10.908 -13.078 35 HD12 ILE 5 HD12 ILE 5 9.596 -11.397 -11.358 36 HD13 ILE 5 HD13 ILE 5 11.259 -11.088 -11.985 37 H SER 6 H SER 6 10.475 -6.659 -14.573 38 HA SER 6 HA SER 6 7.689 -5.888 -14.069 39 HB2 SER 6 HB3 SER 6 9.322 -4.273 -15.410 40 HB3 SER 6 HB2 SER 6 9.141 -5.491 -16.736 41 HG SER 6 HG SER 6 7.537 -3.535 -16.129 42 H GLY 7 H GLY 7 6.366 -6.483 -16.341 43 HA2 GLY 7 HA2 GLY 7 5.603 -8.160 -17.621 44 HA3 GLY 7 HA1 GLY 7 7.241 -8.943 -17.475 45 H CYS 8 H CYS 8 5.228 -7.897 -14.727 46 HA CYS 8 HA CYS 8 5.424 -10.548 -13.679 47 HB2 CYS 8 HB2 CYS 8 3.997 -8.013 -12.703 48 HB3 CYS 8 HB1 CYS 8 3.881 -9.586 -11.843 49 H SER 9 H SER 9 3.637 -11.980 -13.222 50 HA SER 9 HA SER 9 1.157 -11.229 -14.550 51 HB2 SER 9 HB2 SER 9 2.612 -13.922 -14.952 52 HB3 SER 9 HB1 SER 9 0.939 -13.546 -15.533 53 HG SER 9 HG SER 9 2.855 -11.704 -16.241 54 H ARG 10 H ARG 10 -0.683 -12.683 -13.766 55 HA ARG 10 HA ARG 10 -0.383 -12.993 -10.961 56 HB2 ARG 10 HB3 ARG 10 -2.671 -13.843 -10.929 57 HB3 ARG 10 HB2 ARG 10 -2.613 -12.482 -12.100 58 HG2 ARG 10 HG2 ARG 10 -2.199 -14.295 -13.931 59 HG3 ARG 10 HG1 ARG 10 -2.704 -15.489 -12.686 60 HD2 ARG 10 HD3 ARG 10 -4.687 -14.918 -14.030 61 HD3 ARG 10 HD2 ARG 10 -4.888 -14.108 -12.412 62 HE ARG 10 HE ARG 10 -3.528 -12.362 -14.319 63 HH11 ARG 10 HH11 ARG 10 -6.661 -13.734 -13.325 64 HH12 ARG 10 HH12 ARG 10 -7.604 -12.405 -13.910 65 HH21 ARG 10 HH21 ARG 10 -4.818 -10.549 -15.118 66 HH22 ARG 10 HH22 ARG 10 -6.540 -10.567 -14.946 67 H ALA 11 H ALA 11 0.358 -14.946 -13.745 68 HA ALA 11 HA ALA 11 0.065 -17.429 -12.330 69 HB1 ALA 11 HB1 ALA 11 -0.160 -17.378 -14.857 70 HB2 ALA 11 HB2 ALA 11 1.166 -18.479 -14.317 71 HB3 ALA 11 HB3 ALA 11 1.559 -16.839 -14.960 72 H ASP 12 H ASP 12 2.250 -14.797 -12.279 73 HA ASP 12 HA ASP 12 4.595 -16.427 -11.900 74 HB2 ASP 12 HB2 ASP 12 4.052 -13.573 -12.271 75 HB3 ASP 12 HB1 ASP 12 4.991 -13.801 -10.759 76 H CYS 13 H CYS 13 1.807 -15.511 -10.098 77 HA CYS 13 HA CYS 13 3.165 -15.451 -7.556 78 HB2 CYS 13 HB2 CYS 13 0.886 -14.258 -8.129 79 HB3 CYS 13 HB1 CYS 13 0.171 -15.896 -7.997 80 H LEU 14 H LEU 14 2.165 -17.790 -9.856 81 HA LEU 14 HA LEU 14 1.647 -19.787 -7.822 82 HB2 LEU 14 HB3 LEU 14 1.796 -19.974 -10.890 83 HB3 LEU 14 HB2 LEU 14 1.411 -21.356 -9.800 84 HG LEU 14 HG LEU 14 -0.211 -18.771 -9.745 85 HD11 LEU 14 HD11 LEU 14 -1.727 -20.744 -11.151 86 HD12 LEU 14 HD12 LEU 14 -0.099 -20.723 -11.928 87 HD13 LEU 14 HD13 LEU 14 -1.055 -19.197 -11.792 88 HD21 LEU 14 HD21 LEU 14 -0.566 -21.605 -8.658 89 HD22 LEU 14 HD22 LEU 14 -2.009 -20.580 -9.008 90 HD23 LEU 14 HD23 LEU 14 -0.766 -20.017 -7.826 91 H LEU 15 H LEU 15 4.341 -18.235 -9.085 92 HA LEU 15 HA LEU 15 5.901 -20.716 -8.970 93 HB2 LEU 15 HB2 LEU 15 6.581 -17.967 -10.172 94 HB3 LEU 15 HB1 LEU 15 7.766 -19.307 -9.995 95 HG LEU 15 HG LEU 15 5.158 -19.481 -11.594 96 HD11 LEU 15 HD11 LEU 15 6.771 -17.863 -12.619 97 HD12 LEU 15 HD12 LEU 15 6.549 -19.336 -13.636 98 HD13 LEU 15 HD13 LEU 15 8.040 -19.144 -12.638 99 HD21 LEU 15 HD21 LEU 15 6.590 -21.522 -12.600 100 HD22 LEU 15 HD22 LEU 15 5.609 -21.717 -11.097 101 HD23 LEU 15 HD23 LEU 15 7.392 -21.459 -10.984 102 H THR 16 H THR 16 7.583 -20.883 -7.420 103 HA THR 16 HA THR 16 7.383 -18.822 -5.366 104 HB THR 16 HB THR 16 9.059 -21.357 -5.184 105 HG1 THR 16 HG1 THR 16 6.571 -21.365 -4.032 106 HG21 THR 16 HG21 THR 16 7.702 -19.439 -3.193 107 HG22 THR 16 HG22 THR 16 9.469 -19.718 -3.427 108 HG23 THR 16 HG23 THR 16 8.437 -21.014 -2.714 109 H HIS 17 H HIS 17 9.277 -19.677 -8.110 110 HA HIS 17 HA HIS 17 11.663 -18.503 -6.885 111 HB2 HIS 17 HB2 HIS 17 11.274 -19.886 -9.605 112 HB3 HIS 17 HB1 HIS 17 12.829 -19.163 -9.042 113 HD2 HIS 17 HD2 HIS 17 11.925 -20.721 -5.865 114 HE1 HIS 17 HE1 HIS 17 13.287 -23.980 -8.187 115 HE2 HIS 17 HE2 HIS 17 12.740 -23.148 -5.847 116 H ARG 18 H ARG 18 8.870 -17.351 -8.163 117 HA ARG 18 HA ARG 18 10.343 -15.185 -9.468 118 HB2 ARG 18 HB2 ARG 18 7.750 -16.506 -10.418 119 HB3 ARG 18 HB1 ARG 18 8.286 -14.889 -10.975 120 HG2 ARG 18 HG2 ARG 18 10.117 -17.323 -11.228 121 HG3 ARG 18 HG1 ARG 18 8.843 -16.988 -12.451 122 HD2 ARG 18 HD2 ARG 18 10.961 -14.877 -11.635 123 HD3 ARG 18 HD1 ARG 18 11.180 -16.041 -13.019 124 HE ARG 18 HE ARG 18 8.619 -14.758 -13.297 125 HH11 ARG 18 HH11 ARG 18 12.117 -14.094 -13.382 126 HH12 ARG 18 HH12 ARG 18 12.000 -12.797 -14.523 127 HH21 ARG 18 HH21 ARG 18 8.459 -12.989 -14.853 128 HH22 ARG 18 HH22 ARG 18 9.888 -12.158 -15.373 129 H LYS 19 H LYS 19 8.281 -16.262 -6.975 130 HA LYS 19 HA LYS 19 6.521 -14.036 -6.961 131 HB2 LYS 19 HB3 LYS 19 5.809 -14.748 -4.765 132 HB3 LYS 19 HB2 LYS 19 6.109 -16.250 -5.704 133 HG2 LYS 19 HG2 LYS 19 8.392 -16.430 -4.680 134 HG3 LYS 19 HG1 LYS 19 8.062 -14.949 -3.714 135 HD2 LYS 19 HD2 LYS 19 6.064 -16.138 -2.710 136 HD3 LYS 19 HD1 LYS 19 6.555 -17.626 -3.576 137 HE2 LYS 19 HE3 LYS 19 8.744 -17.627 -2.351 138 HE3 LYS 19 HE2 LYS 19 8.260 -16.111 -1.483 139 HZ1 LYS 19 HZ1 LYS 19 6.350 -18.294 -1.371 140 HZ2 LYS 19 HZ2 LYS 19 6.897 -17.235 -0.161 141 HZ3 LYS 19 HZ3 LYS 19 7.833 -18.585 -0.595 142 H GLN 20 H GLN 20 9.859 -14.647 -5.999 143 HA GLN 20 HA GLN 20 9.966 -12.564 -4.080 144 HB2 GLN 20 HB2 GLN 20 12.166 -13.875 -5.785 145 HB3 GLN 20 HB1 GLN 20 12.493 -12.632 -4.522 146 HG2 GLN 20 HG3 GLN 20 11.644 -14.102 -2.735 147 HG3 GLN 20 HG2 GLN 20 11.077 -15.317 -3.952 148 HE21 GLN 20 HE21 GLN 20 13.094 -15.648 -1.768 149 HE22 GLN 20 HE22 GLN 20 14.565 -16.134 -2.538 150 H GLY 21 H GLY 21 10.557 -12.840 -7.642 151 HA2 GLY 21 HA2 GLY 21 11.425 -10.126 -7.807 152 HA3 GLY 21 HA1 GLY 21 10.947 -11.238 -9.166 153 H CYS 22 H CYS 22 8.353 -11.947 -8.478 154 HA CYS 22 HA CYS 22 7.061 -9.312 -8.617 155 HB2 CYS 22 HB2 CYS 22 6.095 -12.057 -9.597 156 HB3 CYS 22 HB1 CYS 22 5.107 -10.559 -9.622 157 H GLN 23 H GLN 23 6.960 -9.015 -6.322 158 HA GLN 23 HA GLN 23 5.468 -11.112 -4.948 159 HB2 GLN 23 HB2 GLN 23 6.324 -10.311 -2.903 160 HB3 GLN 23 HB1 GLN 23 7.687 -9.971 -4.011 161 HG2 GLN 23 HG2 GLN 23 6.580 -7.598 -4.338 162 HG3 GLN 23 HG1 GLN 23 5.642 -8.006 -2.849 163 HE21 GLN 23 HE21 GLN 23 8.936 -7.570 -4.207 164 HE22 GLN 23 HE22 GLN 23 9.738 -7.336 -2.694 165 H LYS 24 H LYS 24 5.323 -7.821 -6.229 166 HA LYS 24 HA LYS 24 3.089 -7.041 -4.662 167 HB2 LYS 24 HB2 LYS 24 4.566 -5.364 -5.852 168 HB3 LYS 24 HB1 LYS 24 3.971 -6.017 -7.418 169 HG2 LYS 24 HG2 LYS 24 1.639 -5.354 -6.822 170 HG3 LYS 24 HG1 LYS 24 2.222 -4.707 -5.249 171 HD2 LYS 24 HD2 LYS 24 3.670 -3.067 -6.464 172 HD3 LYS 24 HD1 LYS 24 3.091 -3.716 -8.036 173 HE2 LYS 24 HE3 LYS 24 0.748 -3.015 -7.471 174 HE3 LYS 24 HE2 LYS 24 1.326 -2.369 -5.878 175 HZ1 LYS 24 HZ1 LYS 24 2.202 -0.595 -6.851 176 HZ2 LYS 24 HZ2 LYS 24 1.147 -0.958 -8.132 177 HZ3 LYS 24 HZ3 LYS 24 2.775 -1.435 -8.211 178 H THR 25 H THR 25 3.593 -8.708 -7.809 179 HA THR 25 HA THR 25 0.776 -8.573 -8.394 180 HB THR 25 HB THR 25 2.906 -8.912 -10.055 181 HG1 THR 25 HG1 THR 25 0.412 -8.878 -10.294 182 HG21 THR 25 HG21 THR 25 3.341 -11.177 -8.841 183 HG22 THR 25 HG22 THR 25 3.255 -11.235 -10.640 184 HG23 THR 25 HG23 THR 25 1.847 -11.779 -9.653 185 H CYS 26 H CYS 26 2.943 -10.552 -6.506 186 HA CYS 26 HA CYS 26 1.276 -12.870 -6.698 187 HB2 CYS 26 HB2 CYS 26 3.885 -12.640 -6.007 188 HB3 CYS 26 HB1 CYS 26 3.166 -12.437 -4.383 189 H GLY 27 H GLY 27 1.683 -9.984 -4.609 190 HA2 GLY 27 HA2 GLY 27 -0.115 -9.134 -3.407 191 HA3 GLY 27 HA1 GLY 27 -0.808 -10.815 -3.302 192 H LEU 28 H LEU 28 2.596 -10.768 -2.913 193 HA LEU 28 HA LEU 28 2.355 -11.651 -0.246 194 HB2 LEU 28 HB2 LEU 28 4.791 -10.622 -1.820 195 HB3 LEU 28 HB1 LEU 28 4.893 -11.303 -0.156 196 HG LEU 28 HG LEU 28 3.750 -12.814 -2.559 197 HD11 LEU 28 HD11 LEU 28 6.576 -12.372 -1.693 198 HD12 LEU 28 HD12 LEU 28 5.912 -12.951 -3.269 199 HD13 LEU 28 HD13 LEU 28 6.131 -14.108 -1.903 200 HD21 LEU 28 HD21 LEU 28 4.384 -14.805 -0.896 201 HD22 LEU 28 HD22 LEU 28 2.836 -13.900 -0.694 202 HD23 LEU 28 HD23 LEU 28 4.247 -13.522 0.366 203 H CYS 29 H CYS 29 3.112 -8.508 -1.830 204 HA CYS 29 HA CYS 29 2.532 -7.264 0.731 205 HB2 CYS 29 HB2 CYS 29 5.082 -7.460 0.630 206 HB3 CYS 29 HB1 CYS 29 5.025 -6.552 -0.920 Start of MODEL 11 1 H1 CYS 1 HT1 CYS 1 5.273 -0.981 -0.669 2 H2 CYS 1 HT2 CYS 1 4.568 -2.424 -0.113 3 H3 CYS 1 HT3 CYS 1 4.069 -1.750 -1.593 4 HA CYS 1 HA CYS 1 6.879 -2.228 -1.470 5 HB2 CYS 1 HB2 CYS 1 4.943 -4.615 -1.448 6 HB3 CYS 1 HB1 CYS 1 6.713 -4.713 -1.730 7 H GLU 2 H GLU 2 7.482 -3.581 -3.577 8 HA GLU 2 HA GLU 2 5.422 -3.447 -5.567 9 HB2 GLU 2 HB3 GLU 2 6.614 -1.991 -7.148 10 HB3 GLU 2 HB2 GLU 2 6.361 -1.078 -5.616 11 HG2 GLU 2 HG2 GLU 2 8.729 -1.707 -4.891 12 HG3 GLU 2 HG1 GLU 2 8.970 -2.467 -6.514 13 H ASN 3 H ASN 3 6.425 -4.299 -7.749 14 HA ASN 3 HA ASN 3 8.031 -6.550 -6.959 15 HB2 ASN 3 HB2 ASN 3 8.013 -6.861 -9.642 16 HB3 ASN 3 HB1 ASN 3 6.563 -7.281 -8.665 17 HD21 ASN 3 HD21 ASN 3 4.797 -6.744 -9.863 18 HD22 ASN 3 HD22 ASN 3 4.545 -5.228 -10.660 19 H THR 4 H THR 4 10.169 -7.051 -8.012 20 HA THR 4 HA THR 4 11.566 -4.509 -8.448 21 HB THR 4 HB THR 4 13.664 -5.840 -8.129 22 HG1 THR 4 HG1 THR 4 12.670 -7.989 -7.026 23 HG21 THR 4 HG21 THR 4 12.368 -4.727 -6.205 24 HG22 THR 4 HG22 THR 4 13.417 -6.114 -5.719 25 HG23 THR 4 HG23 THR 4 11.632 -6.339 -5.865 26 H ILE 5 H ILE 5 9.992 -6.912 -10.205 27 HA ILE 5 HA ILE 5 11.769 -6.346 -12.464 28 HB ILE 5 HB ILE 5 11.321 -8.630 -13.372 29 HG12 ILE 5 HG12 ILE 5 10.198 -9.191 -10.554 30 HG13 ILE 5 HG11 ILE 5 9.184 -8.943 -12.016 31 HG21 ILE 5 HG21 ILE 5 13.057 -9.679 -12.079 32 HG22 ILE 5 HG22 ILE 5 12.588 -8.808 -10.569 33 HG23 ILE 5 HG23 ILE 5 13.373 -7.909 -11.925 34 HD11 ILE 5 HD11 ILE 5 9.577 -11.387 -11.471 35 HD12 ILE 5 HD12 ILE 5 11.340 -11.135 -11.757 36 HD13 ILE 5 HD13 ILE 5 10.167 -10.924 -13.111 37 H SER 6 H SER 6 10.558 -6.728 -14.619 38 HA SER 6 HA SER 6 7.772 -5.940 -14.141 39 HB2 SER 6 HB3 SER 6 9.402 -4.377 -15.540 40 HB3 SER 6 HB2 SER 6 9.230 -5.645 -16.821 41 HG SER 6 HG SER 6 7.682 -3.709 -16.553 42 H GLY 7 H GLY 7 6.465 -6.602 -16.419 43 HA2 GLY 7 HA2 GLY 7 5.698 -8.320 -17.641 44 HA3 GLY 7 HA1 GLY 7 7.322 -9.119 -17.435 45 H CYS 8 H CYS 8 5.252 -7.932 -14.782 46 HA CYS 8 HA CYS 8 5.393 -10.549 -13.628 47 HB2 CYS 8 HB2 CYS 8 3.989 -7.963 -12.751 48 HB3 CYS 8 HB1 CYS 8 3.882 -9.501 -11.831 49 H SER 9 H SER 9 3.577 -11.937 -13.168 50 HA SER 9 HA SER 9 1.111 -11.161 -14.504 51 HB2 SER 9 HB2 SER 9 2.530 -13.869 -14.926 52 HB3 SER 9 HB1 SER 9 0.860 -13.468 -15.496 53 HG SER 9 HG SER 9 2.673 -11.592 -16.234 54 H ARG 10 H ARG 10 -0.745 -12.597 -13.721 55 HA ARG 10 HA ARG 10 -0.456 -12.910 -10.919 56 HB2 ARG 10 HB3 ARG 10 -2.744 -13.773 -10.898 57 HB3 ARG 10 HB2 ARG 10 -2.682 -12.403 -12.060 58 HG2 ARG 10 HG2 ARG 10 -2.264 -14.193 -13.904 59 HG3 ARG 10 HG1 ARG 10 -2.748 -15.409 -12.672 60 HD2 ARG 10 HD3 ARG 10 -4.743 -14.850 -14.001 61 HD3 ARG 10 HD2 ARG 10 -4.948 -14.060 -12.374 62 HE ARG 10 HE ARG 10 -3.620 -12.271 -14.257 63 HH11 ARG 10 HH11 ARG 10 -6.731 -13.718 -13.302 64 HH12 ARG 10 HH12 ARG 10 -7.697 -12.402 -13.879 65 HH21 ARG 10 HH21 ARG 10 -4.939 -10.475 -15.044 66 HH22 ARG 10 HH22 ARG 10 -6.662 -10.529 -14.886 67 H ALA 11 H ALA 11 0.146 -14.934 -13.731 68 HA ALA 11 HA ALA 11 -0.073 -17.378 -12.254 69 HB1 ALA 11 HB1 ALA 11 0.959 -18.470 -14.248 70 HB2 ALA 11 HB2 ALA 11 1.365 -16.848 -14.927 71 HB3 ALA 11 HB3 ALA 11 -0.360 -17.358 -14.781 72 H ASP 12 H ASP 12 2.109 -14.753 -12.298 73 HA ASP 12 HA ASP 12 4.476 -16.357 -11.971 74 HB2 ASP 12 HB2 ASP 12 4.149 -13.721 -12.711 75 HB3 ASP 12 HB1 ASP 12 4.414 -13.517 -10.944 76 H CYS 13 H CYS 13 1.735 -15.414 -10.080 77 HA CYS 13 HA CYS 13 3.156 -15.338 -7.581 78 HB2 CYS 13 HB2 CYS 13 0.840 -14.199 -8.098 79 HB3 CYS 13 HB1 CYS 13 0.163 -15.848 -7.935 80 H LEU 14 H LEU 14 2.031 -17.720 -9.812 81 HA LEU 14 HA LEU 14 1.645 -19.699 -7.746 82 HB2 LEU 14 HB3 LEU 14 1.724 -19.918 -10.813 83 HB3 LEU 14 HB2 LEU 14 1.402 -21.299 -9.702 84 HG LEU 14 HG LEU 14 -0.281 -18.751 -9.636 85 HD11 LEU 14 HD11 LEU 14 -1.125 -19.234 -11.671 86 HD12 LEU 14 HD12 LEU 14 -1.817 -20.740 -10.955 87 HD13 LEU 14 HD13 LEU 14 -0.205 -20.783 -11.764 88 HD21 LEU 14 HD21 LEU 14 -0.513 -21.560 -8.469 89 HD22 LEU 14 HD22 LEU 14 -2.007 -20.615 -8.827 90 HD23 LEU 14 HD23 LEU 14 -0.774 -19.957 -7.685 91 H LEU 15 H LEU 15 4.279 -18.132 -9.146 92 HA LEU 15 HA LEU 15 5.883 -20.577 -9.094 93 HB2 LEU 15 HB2 LEU 15 6.522 -17.744 -10.103 94 HB3 LEU 15 HB1 LEU 15 7.726 -19.077 -10.020 95 HG LEU 15 HG LEU 15 5.112 -19.193 -11.617 96 HD11 LEU 15 HD11 LEU 15 7.848 -18.989 -12.943 97 HD12 LEU 15 HD12 LEU 15 7.049 -17.492 -12.333 98 HD13 LEU 15 HD13 LEU 15 6.219 -18.518 -13.562 99 HD21 LEU 15 HD21 LEU 15 5.658 -21.445 -11.249 100 HD22 LEU 15 HD22 LEU 15 7.435 -21.132 -11.213 101 HD23 LEU 15 HD23 LEU 15 6.548 -21.117 -12.784 102 H THR 16 H THR 16 7.544 -20.833 -7.536 103 HA THR 16 HA THR 16 7.320 -18.892 -5.365 104 HB THR 16 HB THR 16 8.797 -21.572 -5.427 105 HG1 THR 16 HG1 THR 16 6.571 -21.284 -3.871 106 HG21 THR 16 HG21 THR 16 9.778 -20.295 -3.686 107 HG22 THR 16 HG22 THR 16 8.445 -21.157 -2.828 108 HG23 THR 16 HG23 THR 16 8.239 -19.432 -3.314 109 H HIS 17 H HIS 17 9.372 -19.822 -8.043 110 HA HIS 17 HA HIS 17 11.673 -18.600 -6.714 111 HB2 HIS 17 HB2 HIS 17 11.417 -20.076 -9.399 112 HB3 HIS 17 HB1 HIS 17 12.935 -19.279 -8.836 113 HD2 HIS 17 HD2 HIS 17 10.662 -22.431 -7.867 114 HE1 HIS 17 HE1 HIS 17 14.481 -22.781 -6.089 115 HE2 HIS 17 HE2 HIS 17 12.250 -23.922 -6.522 116 H ARG 18 H ARG 18 8.978 -17.419 -8.099 117 HA ARG 18 HA ARG 18 10.529 -15.298 -9.387 118 HB2 ARG 18 HB2 ARG 18 8.005 -16.658 -10.441 119 HB3 ARG 18 HB1 ARG 18 8.481 -15.010 -10.949 120 HG2 ARG 18 HG2 ARG 18 10.480 -17.298 -11.173 121 HG3 ARG 18 HG1 ARG 18 9.188 -17.109 -12.408 122 HD2 ARG 18 HD2 ARG 18 11.130 -14.821 -11.623 123 HD3 ARG 18 HD1 ARG 18 11.399 -15.957 -13.020 124 HE ARG 18 HE ARG 18 8.738 -14.845 -13.200 125 HH11 ARG 18 HH11 ARG 18 12.191 -14.005 -13.463 126 HH12 ARG 18 HH12 ARG 18 11.954 -12.734 -14.614 127 HH21 ARG 18 HH21 ARG 18 8.417 -13.109 -14.773 128 HH22 ARG 18 HH22 ARG 18 9.773 -12.216 -15.370 129 H LYS 19 H LYS 19 8.346 -16.325 -6.975 130 HA LYS 19 HA LYS 19 6.595 -14.098 -7.048 131 HB2 LYS 19 HB3 LYS 19 5.849 -14.755 -4.835 132 HB3 LYS 19 HB2 LYS 19 6.138 -16.270 -5.756 133 HG2 LYS 19 HG2 LYS 19 8.422 -16.446 -4.708 134 HG3 LYS 19 HG1 LYS 19 8.064 -14.978 -3.736 135 HD2 LYS 19 HD2 LYS 19 6.061 -16.184 -2.773 136 HD3 LYS 19 HD1 LYS 19 6.560 -17.660 -3.656 137 HE2 LYS 19 HE3 LYS 19 8.742 -17.670 -2.406 138 HE3 LYS 19 HE2 LYS 19 8.228 -16.182 -1.508 139 HZ1 LYS 19 HZ1 LYS 19 7.035 -17.406 -0.156 140 HZ2 LYS 19 HZ2 LYS 19 7.730 -18.794 -0.843 141 HZ3 LYS 19 HZ3 LYS 19 6.239 -18.219 -1.416 142 H GLN 20 H GLN 20 9.908 -14.666 -5.992 143 HA GLN 20 HA GLN 20 9.957 -12.546 -4.114 144 HB2 GLN 20 HB2 GLN 20 12.203 -13.877 -5.738 145 HB3 GLN 20 HB1 GLN 20 12.493 -12.607 -4.494 146 HG2 GLN 20 HG3 GLN 20 11.607 -14.045 -2.698 147 HG3 GLN 20 HG2 GLN 20 11.079 -15.289 -3.906 148 HE21 GLN 20 HE21 GLN 20 13.043 -15.555 -1.662 149 HE22 GLN 20 HE22 GLN 20 14.535 -16.049 -2.384 150 H GLY 21 H GLY 21 10.590 -12.884 -7.659 151 HA2 GLY 21 HA2 GLY 21 11.506 -10.196 -7.879 152 HA3 GLY 21 HA1 GLY 21 10.980 -11.316 -9.216 153 H CYS 22 H CYS 22 8.373 -11.935 -8.515 154 HA CYS 22 HA CYS 22 7.161 -9.260 -8.645 155 HB2 CYS 22 HB2 CYS 22 6.133 -11.969 -9.664 156 HB3 CYS 22 HB1 CYS 22 5.162 -10.458 -9.649 157 H GLN 23 H GLN 23 7.015 -8.946 -6.369 158 HA GLN 23 HA GLN 23 5.505 -11.028 -4.990 159 HB2 GLN 23 HB2 GLN 23 6.371 -10.239 -2.956 160 HB3 GLN 23 HB1 GLN 23 7.726 -9.861 -4.059 161 HG2 GLN 23 HG2 GLN 23 6.560 -7.507 -4.361 162 HG3 GLN 23 HG1 GLN 23 5.651 -7.951 -2.861 163 HE21 GLN 23 HE21 GLN 23 8.866 -7.278 -4.257 164 HE22 GLN 23 HE22 GLN 23 9.703 -7.098 -2.757 165 H LYS 24 H LYS 24 5.371 -7.753 -6.308 166 HA LYS 24 HA LYS 24 3.144 -6.934 -4.754 167 HB2 LYS 24 HB2 LYS 24 4.610 -5.279 -5.977 168 HB3 LYS 24 HB1 LYS 24 4.035 -5.975 -7.531 169 HG2 LYS 24 HG2 LYS 24 1.690 -5.310 -6.970 170 HG3 LYS 24 HG1 LYS 24 2.261 -4.611 -5.415 171 HD2 LYS 24 HD2 LYS 24 3.701 -2.998 -6.669 172 HD3 LYS 24 HD1 LYS 24 3.148 -3.705 -8.226 173 HE2 LYS 24 HE3 LYS 24 0.791 -3.006 -7.711 174 HE3 LYS 24 HE2 LYS 24 1.346 -2.300 -6.135 175 HZ1 LYS 24 HZ1 LYS 24 1.167 -0.648 -7.854 176 HZ2 LYS 24 HZ2 LYS 24 2.255 -1.487 -8.852 177 HZ3 LYS 24 HZ3 LYS 24 2.788 -0.828 -7.381 178 H THR 25 H THR 25 3.630 -8.665 -7.866 179 HA THR 25 HA THR 25 0.812 -8.532 -8.436 180 HB THR 25 HB THR 25 2.923 -8.888 -10.109 181 HG1 THR 25 HG1 THR 25 0.480 -8.808 -10.384 182 HG21 THR 25 HG21 THR 25 3.388 -11.129 -8.856 183 HG22 THR 25 HG22 THR 25 3.294 -11.216 -10.654 184 HG23 THR 25 HG23 THR 25 1.895 -11.758 -9.652 185 H CYS 26 H CYS 26 3.000 -10.498 -6.548 186 HA CYS 26 HA CYS 26 1.309 -12.804 -6.686 187 HB2 CYS 26 HB2 CYS 26 3.933 -12.587 -6.049 188 HB3 CYS 26 HB1 CYS 26 3.245 -12.372 -4.413 189 H GLY 27 H GLY 27 1.850 -9.945 -4.563 190 HA2 GLY 27 HA2 GLY 27 0.112 -9.041 -3.321 191 HA3 GLY 27 HA1 GLY 27 -0.670 -10.683 -3.261 192 H LEU 28 H LEU 28 2.773 -10.682 -2.873 193 HA LEU 28 HA LEU 28 2.521 -11.744 -0.275 194 HB2 LEU 28 HB2 LEU 28 4.958 -10.583 -1.753 195 HB3 LEU 28 HB1 LEU 28 5.056 -11.366 -0.134 196 HG LEU 28 HG LEU 28 3.957 -12.739 -2.640 197 HD11 LEU 28 HD11 LEU 28 6.758 -12.270 -1.769 198 HD12 LEU 28 HD12 LEU 28 6.112 -12.865 -3.346 199 HD13 LEU 28 HD13 LEU 28 6.374 -14.020 -1.984 200 HD21 LEU 28 HD21 LEU 28 4.620 -14.819 -1.087 201 HD22 LEU 28 HD22 LEU 28 3.042 -13.969 -0.873 202 HD23 LEU 28 HD23 LEU 28 4.417 -13.614 0.241 203 H CYS 29 H CYS 29 3.257 -8.494 -1.633 204 HA CYS 29 HA CYS 29 2.567 -7.409 0.959 205 HB2 CYS 29 HB2 CYS 29 5.065 -7.614 1.148 206 HB3 CYS 29 HB1 CYS 29 5.235 -6.779 -0.433 Start of MODEL 12 1 H1 CYS 1 HT1 CYS 1 4.028 -2.335 -1.694 2 H2 CYS 1 HT2 CYS 1 5.241 -1.196 -1.346 3 H3 CYS 1 HT3 CYS 1 4.836 -2.383 -0.198 4 HA CYS 1 HA CYS 1 6.929 -2.647 -1.658 5 HB2 CYS 1 HB2 CYS 1 4.913 -4.940 -1.328 6 HB3 CYS 1 HB1 CYS 1 6.682 -5.131 -1.567 7 H GLU 2 H GLU 2 7.499 -2.407 -3.796 8 HA GLU 2 HA GLU 2 5.460 -3.204 -5.725 9 HB2 GLU 2 HB3 GLU 2 7.955 -1.436 -5.957 10 HB3 GLU 2 HB2 GLU 2 7.066 -2.044 -7.401 11 HG2 GLU 2 HG2 GLU 2 5.030 -0.845 -6.768 12 HG3 GLU 2 HG1 GLU 2 5.739 -0.398 -5.172 13 H ASN 3 H ASN 3 6.474 -4.181 -7.836 14 HA ASN 3 HA ASN 3 8.005 -6.429 -6.904 15 HB2 ASN 3 HB2 ASN 3 8.058 -6.822 -9.590 16 HB3 ASN 3 HB1 ASN 3 6.594 -7.214 -8.624 17 HD21 ASN 3 HD21 ASN 3 4.852 -6.714 -9.875 18 HD22 ASN 3 HD22 ASN 3 4.610 -5.218 -10.712 19 H THR 4 H THR 4 10.127 -7.060 -8.034 20 HA THR 4 HA THR 4 11.638 -4.571 -8.407 21 HB THR 4 HB THR 4 13.675 -5.992 -8.104 22 HG1 THR 4 HG1 THR 4 12.554 -8.126 -7.062 23 HG21 THR 4 HG21 THR 4 13.402 -6.313 -5.703 24 HG22 THR 4 HG22 THR 4 11.612 -6.474 -5.864 25 HG23 THR 4 HG23 THR 4 12.405 -4.880 -6.158 26 H ILE 5 H ILE 5 9.997 -6.925 -10.200 27 HA ILE 5 HA ILE 5 11.764 -6.336 -12.459 28 HB ILE 5 HB ILE 5 11.296 -8.610 -13.397 29 HG12 ILE 5 HG12 ILE 5 10.220 -9.201 -10.565 30 HG13 ILE 5 HG11 ILE 5 9.186 -8.951 -12.013 31 HG21 ILE 5 HG21 ILE 5 13.376 -7.906 -11.987 32 HG22 ILE 5 HG22 ILE 5 13.056 -9.674 -12.146 33 HG23 ILE 5 HG23 ILE 5 12.619 -8.813 -10.622 34 HD11 ILE 5 HD11 ILE 5 11.306 -11.167 -11.670 35 HD12 ILE 5 HD12 ILE 5 10.305 -10.901 -13.147 36 HD13 ILE 5 HD13 ILE 5 9.516 -11.377 -11.595 37 H SER 6 H SER 6 10.544 -6.671 -14.611 38 HA SER 6 HA SER 6 7.759 -5.904 -14.106 39 HB2 SER 6 HB3 SER 6 9.376 -4.306 -15.479 40 HB3 SER 6 HB2 SER 6 9.207 -5.548 -16.783 41 HG SER 6 HG SER 6 7.639 -3.612 -16.410 42 H GLY 7 H GLY 7 6.438 -6.530 -16.382 43 HA2 GLY 7 HA2 GLY 7 5.672 -8.226 -17.634 44 HA3 GLY 7 HA1 GLY 7 7.303 -9.017 -17.461 45 H CYS 8 H CYS 8 5.235 -7.902 -14.774 46 HA CYS 8 HA CYS 8 5.430 -10.521 -13.648 47 HB2 CYS 8 HB2 CYS 8 3.945 -7.983 -12.771 48 HB3 CYS 8 HB1 CYS 8 3.859 -9.530 -11.864 49 H SER 9 H SER 9 3.649 -11.966 -13.204 50 HA SER 9 HA SER 9 1.188 -11.268 -14.595 51 HB2 SER 9 HB2 SER 9 2.685 -13.949 -14.926 52 HB3 SER 9 HB1 SER 9 1.018 -13.607 -15.541 53 HG SER 9 HG SER 9 2.860 -11.722 -16.263 54 H ARG 10 H ARG 10 -0.645 -12.762 -13.840 55 HA ARG 10 HA ARG 10 -0.413 -13.007 -11.018 56 HB2 ARG 10 HB3 ARG 10 -2.690 -13.871 -11.023 57 HB3 ARG 10 HB2 ARG 10 -2.619 -12.554 -12.244 58 HG2 ARG 10 HG2 ARG 10 -2.144 -14.414 -14.000 59 HG3 ARG 10 HG1 ARG 10 -2.632 -15.585 -12.726 60 HD2 ARG 10 HD3 ARG 10 -4.616 -15.122 -14.103 61 HD3 ARG 10 HD2 ARG 10 -4.857 -14.247 -12.525 62 HE ARG 10 HE ARG 10 -3.519 -12.535 -14.464 63 HH11 ARG 10 HH11 ARG 10 -6.632 -14.004 -13.547 64 HH12 ARG 10 HH12 ARG 10 -7.604 -12.744 -14.228 65 HH21 ARG 10 HH21 ARG 10 -4.848 -10.815 -15.393 66 HH22 ARG 10 HH22 ARG 10 -6.574 -10.903 -15.294 67 H ALA 11 H ALA 11 0.403 -15.016 -13.751 68 HA ALA 11 HA ALA 11 0.108 -17.472 -12.298 69 HB1 ALA 11 HB1 ALA 11 1.284 -18.544 -14.232 70 HB2 ALA 11 HB2 ALA 11 1.672 -16.911 -14.893 71 HB3 ALA 11 HB3 ALA 11 -0.041 -17.476 -14.829 72 H ASP 12 H ASP 12 2.279 -14.821 -12.259 73 HA ASP 12 HA ASP 12 4.624 -16.417 -11.780 74 HB2 ASP 12 HB2 ASP 12 4.053 -13.578 -12.200 75 HB3 ASP 12 HB1 ASP 12 4.950 -13.773 -10.659 76 H CYS 13 H CYS 13 1.789 -15.435 -10.044 77 HA CYS 13 HA CYS 13 3.085 -15.360 -7.477 78 HB2 CYS 13 HB2 CYS 13 0.804 -14.198 -8.139 79 HB3 CYS 13 HB1 CYS 13 0.105 -15.837 -7.951 80 H LEU 14 H LEU 14 2.042 -17.741 -9.750 81 HA LEU 14 HA LEU 14 1.549 -19.699 -7.677 82 HB2 LEU 14 HB3 LEU 14 1.661 -19.931 -10.742 83 HB3 LEU 14 HB2 LEU 14 1.300 -21.302 -9.631 84 HG LEU 14 HG LEU 14 -0.335 -18.723 -9.583 85 HD11 LEU 14 HD11 LEU 14 -0.514 -19.482 -11.885 86 HD12 LEU 14 HD12 LEU 14 -2.033 -19.943 -11.029 87 HD13 LEU 14 HD13 LEU 14 -0.774 -21.190 -11.368 88 HD21 LEU 14 HD21 LEU 14 -2.110 -20.533 -8.793 89 HD22 LEU 14 HD22 LEU 14 -0.855 -19.942 -7.639 90 HD23 LEU 14 HD23 LEU 14 -0.654 -21.543 -8.448 91 H LEU 15 H LEU 15 4.238 -18.182 -8.981 92 HA LEU 15 HA LEU 15 5.790 -20.666 -8.890 93 HB2 LEU 15 HB2 LEU 15 6.629 -17.883 -9.898 94 HB3 LEU 15 HB1 LEU 15 7.634 -19.371 -9.951 95 HG LEU 15 HG LEU 15 4.999 -18.908 -11.443 96 HD11 LEU 15 HD11 LEU 15 6.403 -18.984 -13.506 97 HD12 LEU 15 HD12 LEU 15 7.889 -19.133 -12.494 98 HD13 LEU 15 HD13 LEU 15 6.891 -17.633 -12.416 99 HD21 LEU 15 HD21 LEU 15 4.883 -21.210 -11.186 100 HD22 LEU 15 HD22 LEU 15 6.666 -21.401 -10.987 101 HD23 LEU 15 HD23 LEU 15 5.964 -21.150 -12.629 102 H THR 16 H THR 16 7.569 -20.818 -7.392 103 HA THR 16 HA THR 16 7.354 -18.781 -5.312 104 HB THR 16 HB THR 16 8.510 -20.424 -3.851 105 HG1 THR 16 HG1 THR 16 8.546 -22.594 -4.834 106 HG21 THR 16 HG21 THR 16 6.608 -21.868 -3.536 107 HG22 THR 16 HG22 THR 16 6.154 -21.775 -5.280 108 HG23 THR 16 HG23 THR 16 5.940 -20.335 -4.214 109 H HIS 17 H HIS 17 9.076 -19.326 -8.076 110 HA HIS 17 HA HIS 17 11.559 -18.452 -6.771 111 HB2 HIS 17 HB2 HIS 17 12.606 -19.150 -9.092 112 HB3 HIS 17 HB1 HIS 17 12.208 -20.457 -7.913 113 HD2 HIS 17 HD2 HIS 17 9.639 -21.822 -8.543 114 HE1 HIS 17 HE1 HIS 17 9.909 -20.698 -12.612 115 HE2 HIS 17 HE2 HIS 17 8.764 -22.212 -10.918 116 H ARG 18 H ARG 18 8.829 -17.352 -8.337 117 HA ARG 18 HA ARG 18 10.411 -15.215 -9.568 118 HB2 ARG 18 HB2 ARG 18 7.839 -16.533 -10.583 119 HB3 ARG 18 HB1 ARG 18 8.372 -14.908 -11.130 120 HG2 ARG 18 HG2 ARG 18 10.247 -17.313 -11.325 121 HG3 ARG 18 HG1 ARG 18 8.996 -17.015 -12.577 122 HD2 ARG 18 HD2 ARG 18 11.074 -14.874 -11.734 123 HD3 ARG 18 HD1 ARG 18 11.308 -16.026 -13.123 124 HE ARG 18 HE ARG 18 8.738 -14.760 -13.404 125 HH11 ARG 18 HH11 ARG 18 12.234 -14.072 -13.472 126 HH12 ARG 18 HH12 ARG 18 12.112 -12.766 -14.602 127 HH21 ARG 18 HH21 ARG 18 8.575 -12.977 -14.947 128 HH22 ARG 18 HH22 ARG 18 9.999 -12.133 -15.453 129 H LYS 19 H LYS 19 8.144 -16.234 -7.195 130 HA LYS 19 HA LYS 19 6.512 -13.917 -7.241 131 HB2 LYS 19 HB3 LYS 19 5.743 -14.589 -5.001 132 HB3 LYS 19 HB2 LYS 19 5.796 -16.030 -6.071 133 HG2 LYS 19 HG2 LYS 19 8.050 -16.631 -5.128 134 HG3 LYS 19 HG1 LYS 19 7.938 -15.223 -4.016 135 HD2 LYS 19 HD2 LYS 19 5.858 -16.195 -3.028 136 HD3 LYS 19 HD1 LYS 19 5.996 -17.609 -4.118 137 HE2 LYS 19 HE3 LYS 19 8.203 -18.203 -3.072 138 HE3 LYS 19 HE2 LYS 19 8.060 -16.771 -1.969 139 HZ1 LYS 19 HZ1 LYS 19 5.731 -18.454 -1.977 140 HZ2 LYS 19 HZ2 LYS 19 6.660 -17.859 -0.686 141 HZ3 LYS 19 HZ3 LYS 19 7.138 -19.272 -1.497 142 H GLN 20 H GLN 20 9.760 -14.686 -6.158 143 HA GLN 20 HA GLN 20 9.882 -12.697 -4.153 144 HB2 GLN 20 HB2 GLN 20 12.088 -13.965 -5.881 145 HB3 GLN 20 HB1 GLN 20 12.411 -12.812 -4.536 146 HG2 GLN 20 HG3 GLN 20 11.351 -14.390 -2.894 147 HG3 GLN 20 HG2 GLN 20 11.014 -15.551 -4.242 148 HE21 GLN 20 HE21 GLN 20 12.409 -17.234 -3.795 149 HE22 GLN 20 HE22 GLN 20 14.128 -17.079 -3.671 150 H GLY 21 H GLY 21 10.532 -12.814 -7.712 151 HA2 GLY 21 HA2 GLY 21 11.456 -10.110 -7.720 152 HA3 GLY 21 HA1 GLY 21 11.007 -11.152 -9.144 153 H CYS 22 H CYS 22 8.377 -11.862 -8.521 154 HA CYS 22 HA CYS 22 7.125 -9.206 -8.652 155 HB2 CYS 22 HB2 CYS 22 6.152 -11.943 -9.649 156 HB3 CYS 22 HB1 CYS 22 5.147 -10.457 -9.644 157 H GLN 23 H GLN 23 7.064 -8.935 -6.336 158 HA GLN 23 HA GLN 23 5.521 -10.993 -4.968 159 HB2 GLN 23 HB2 GLN 23 6.391 -10.207 -2.937 160 HB3 GLN 23 HB1 GLN 23 7.743 -9.819 -4.040 161 HG2 GLN 23 HG2 GLN 23 6.550 -7.473 -4.332 162 HG3 GLN 23 HG1 GLN 23 5.670 -7.926 -2.821 163 HE21 GLN 23 HE21 GLN 23 8.912 -7.392 -4.272 164 HE22 GLN 23 HE22 GLN 23 9.750 -7.144 -2.782 165 H LYS 24 H LYS 24 5.384 -7.723 -6.295 166 HA LYS 24 HA LYS 24 3.150 -6.912 -4.742 167 HB2 LYS 24 HB2 LYS 24 4.615 -5.242 -5.942 168 HB3 LYS 24 HB1 LYS 24 4.058 -5.932 -7.507 169 HG2 LYS 24 HG2 LYS 24 1.703 -5.284 -6.963 170 HG3 LYS 24 HG1 LYS 24 2.257 -4.590 -5.400 171 HD2 LYS 24 HD2 LYS 24 3.697 -2.961 -6.633 172 HD3 LYS 24 HD1 LYS 24 3.162 -3.663 -8.198 173 HE2 LYS 24 HE3 LYS 24 0.796 -2.984 -7.697 174 HE3 LYS 24 HE2 LYS 24 1.334 -2.281 -6.114 175 HZ1 LYS 24 HZ1 LYS 24 2.783 -1.405 -8.481 176 HZ2 LYS 24 HZ2 LYS 24 2.243 -0.537 -7.127 177 HZ3 LYS 24 HZ3 LYS 24 1.160 -0.920 -8.379 178 H THR 25 H THR 25 3.654 -8.617 -7.870 179 HA THR 25 HA THR 25 0.847 -8.477 -8.472 180 HB THR 25 HB THR 25 2.996 -8.893 -10.097 181 HG1 THR 25 HG1 THR 25 0.531 -8.774 -10.394 182 HG21 THR 25 HG21 THR 25 3.384 -11.134 -8.847 183 HG22 THR 25 HG22 THR 25 3.275 -11.244 -10.642 184 HG23 THR 25 HG23 THR 25 1.866 -11.724 -9.624 185 H CYS 26 H CYS 26 3.014 -10.502 -6.589 186 HA CYS 26 HA CYS 26 1.246 -12.749 -6.701 187 HB2 CYS 26 HB2 CYS 26 3.873 -12.678 -6.141 188 HB3 CYS 26 HB1 CYS 26 3.274 -12.341 -4.489 189 H GLY 27 H GLY 27 1.910 -9.910 -4.590 190 HA2 GLY 27 HA2 GLY 27 0.274 -8.948 -3.280 191 HA3 GLY 27 HA1 GLY 27 -0.629 -10.529 -3.277 192 H LEU 28 H LEU 28 2.847 -10.625 -2.865 193 HA LEU 28 HA LEU 28 2.544 -11.875 -0.357 194 HB2 LEU 28 HB2 LEU 28 5.010 -10.628 -1.716 195 HB3 LEU 28 HB1 LEU 28 5.081 -11.516 -0.148 196 HG LEU 28 HG LEU 28 4.014 -12.718 -2.753 197 HD11 LEU 28 HD11 LEU 28 6.428 -14.042 -2.112 198 HD12 LEU 28 HD12 LEU 28 6.800 -12.296 -1.840 199 HD13 LEU 28 HD13 LEU 28 6.171 -12.847 -3.440 200 HD21 LEU 28 HD21 LEU 28 3.069 -14.066 -1.098 201 HD22 LEU 28 HD22 LEU 28 4.410 -13.772 0.074 202 HD23 LEU 28 HD23 LEU 28 4.658 -14.895 -1.318 203 H CYS 29 H CYS 29 3.304 -8.541 -1.468 204 HA CYS 29 HA CYS 29 2.666 -7.674 1.232 205 HB2 CYS 29 HB2 CYS 29 5.146 -7.732 1.317 206 HB3 CYS 29 HB1 CYS 29 5.230 -6.908 -0.275 Start of MODEL 13 1 H1 CYS 1 HT1 CYS 1 6.496 -0.746 -0.451 2 H2 CYS 1 HT2 CYS 1 4.995 -1.516 -0.661 3 H3 CYS 1 HT3 CYS 1 5.656 -0.585 -1.920 4 HA CYS 1 HA CYS 1 7.615 -2.205 -1.759 5 HB2 CYS 1 HB2 CYS 1 6.659 -4.585 -1.251 6 HB3 CYS 1 HB1 CYS 1 7.056 -3.537 0.151 7 H GLU 2 H GLU 2 7.823 -2.471 -3.956 8 HA GLU 2 HA GLU 2 5.409 -3.408 -5.322 9 HB2 GLU 2 HB3 GLU 2 7.608 -1.512 -6.327 10 HB3 GLU 2 HB2 GLU 2 6.414 -2.307 -7.415 11 HG2 GLU 2 HG2 GLU 2 4.540 -1.155 -6.320 12 HG3 GLU 2 HG1 GLU 2 5.646 -0.469 -5.076 13 H ASN 3 H ASN 3 6.334 -4.262 -7.693 14 HA ASN 3 HA ASN 3 7.974 -6.466 -6.866 15 HB2 ASN 3 HB2 ASN 3 7.982 -6.788 -9.563 16 HB3 ASN 3 HB1 ASN 3 6.549 -7.248 -8.578 17 HD21 ASN 3 HD21 ASN 3 4.783 -6.779 -9.812 18 HD22 ASN 3 HD22 ASN 3 4.479 -5.265 -10.594 19 H THR 4 H THR 4 10.112 -6.991 -7.963 20 HA THR 4 HA THR 4 11.516 -4.448 -8.386 21 HB THR 4 HB THR 4 13.611 -5.780 -8.065 22 HG1 THR 4 HG1 THR 4 12.617 -7.930 -6.965 23 HG21 THR 4 HG21 THR 4 13.365 -6.044 -5.657 24 HG22 THR 4 HG22 THR 4 11.582 -6.287 -5.802 25 HG23 THR 4 HG23 THR 4 12.303 -4.669 -6.143 26 H ILE 5 H ILE 5 9.941 -6.845 -10.141 27 HA ILE 5 HA ILE 5 11.707 -6.272 -12.403 28 HB ILE 5 HB ILE 5 11.264 -8.567 -13.304 29 HG12 ILE 5 HG12 ILE 5 10.220 -9.127 -10.454 30 HG13 ILE 5 HG11 ILE 5 9.166 -8.905 -11.893 31 HG21 ILE 5 HG21 ILE 5 13.043 -9.586 -12.036 32 HG22 ILE 5 HG22 ILE 5 12.605 -8.692 -10.532 33 HG23 ILE 5 HG23 ILE 5 13.344 -7.811 -11.924 34 HD11 ILE 5 HD11 ILE 5 10.138 -10.879 -12.997 35 HD12 ILE 5 HD12 ILE 5 9.620 -11.341 -11.332 36 HD13 ILE 5 HD13 ILE 5 11.366 -11.058 -11.689 37 H SER 6 H SER 6 10.494 -6.660 -14.552 38 HA SER 6 HA SER 6 7.697 -5.924 -14.058 39 HB2 SER 6 HB3 SER 6 9.320 -4.335 -15.461 40 HB3 SER 6 HB2 SER 6 9.114 -5.587 -16.750 41 HG SER 6 HG SER 6 7.498 -3.620 -16.086 42 H GLY 7 H GLY 7 6.415 -6.585 -16.363 43 HA2 GLY 7 HA2 GLY 7 5.680 -8.308 -17.598 44 HA3 GLY 7 HA1 GLY 7 7.312 -9.088 -17.380 45 H CYS 8 H CYS 8 5.208 -7.937 -14.737 46 HA CYS 8 HA CYS 8 5.373 -10.554 -13.590 47 HB2 CYS 8 HB2 CYS 8 3.918 -7.992 -12.724 48 HB3 CYS 8 HB1 CYS 8 3.831 -9.532 -11.806 49 H SER 9 H SER 9 3.570 -11.972 -13.155 50 HA SER 9 HA SER 9 1.106 -11.224 -14.508 51 HB2 SER 9 HB2 SER 9 2.577 -13.903 -14.949 52 HB3 SER 9 HB1 SER 9 0.903 -13.528 -15.527 53 HG SER 9 HG SER 9 2.669 -11.604 -16.236 54 H ARG 10 H ARG 10 -0.727 -12.735 -13.776 55 HA ARG 10 HA ARG 10 -0.488 -13.047 -10.972 56 HB2 ARG 10 HB3 ARG 10 -2.732 -14.150 -11.071 57 HB3 ARG 10 HB2 ARG 10 -2.717 -12.607 -11.993 58 HG2 ARG 10 HG2 ARG 10 -2.418 -13.843 -14.125 59 HG3 ARG 10 HG1 ARG 10 -2.346 -15.401 -13.233 60 HD2 ARG 10 HD3 ARG 10 -4.797 -13.552 -12.962 61 HD3 ARG 10 HD2 ARG 10 -4.639 -14.734 -14.336 62 HE ARG 10 HE ARG 10 -4.983 -15.409 -11.461 63 HH11 ARG 10 HH11 ARG 10 -4.191 -16.415 -14.783 64 HH12 ARG 10 HH12 ARG 10 -4.524 -18.094 -14.520 65 HH21 ARG 10 HH21 ARG 10 -5.437 -17.701 -11.101 66 HH22 ARG 10 HH22 ARG 10 -5.244 -18.836 -12.394 67 H ALA 11 H ALA 11 0.066 -15.109 -13.806 68 HA ALA 11 HA ALA 11 -0.042 -17.531 -12.314 69 HB1 ALA 11 HB1 ALA 11 1.103 -18.576 -14.304 70 HB2 ALA 11 HB2 ALA 11 1.347 -16.927 -14.996 71 HB3 ALA 11 HB3 ALA 11 -0.322 -17.590 -14.812 72 H ASP 12 H ASP 12 2.134 -14.865 -12.456 73 HA ASP 12 HA ASP 12 4.501 -16.432 -12.046 74 HB2 ASP 12 HB2 ASP 12 4.201 -13.846 -12.872 75 HB3 ASP 12 HB1 ASP 12 4.341 -13.555 -11.103 76 H CYS 13 H CYS 13 1.730 -15.504 -10.198 77 HA CYS 13 HA CYS 13 3.140 -15.386 -7.686 78 HB2 CYS 13 HB2 CYS 13 0.865 -14.205 -8.201 79 HB3 CYS 13 HB1 CYS 13 0.139 -15.838 -8.096 80 H LEU 14 H LEU 14 2.110 -17.788 -9.907 81 HA LEU 14 HA LEU 14 1.620 -19.736 -7.825 82 HB2 LEU 14 HB3 LEU 14 1.805 -20.010 -10.883 83 HB3 LEU 14 HB2 LEU 14 1.407 -21.357 -9.755 84 HG LEU 14 HG LEU 14 -0.218 -18.775 -9.784 85 HD11 LEU 14 HD11 LEU 14 0.003 -20.505 -12.025 86 HD12 LEU 14 HD12 LEU 14 -1.276 -19.270 -11.714 87 HD13 LEU 14 HD13 LEU 14 -1.535 -20.985 -11.215 88 HD21 LEU 14 HD21 LEU 14 -0.577 -21.586 -8.647 89 HD22 LEU 14 HD22 LEU 14 -2.023 -20.588 -9.055 90 HD23 LEU 14 HD23 LEU 14 -0.816 -19.980 -7.859 91 H LEU 15 H LEU 15 4.304 -18.201 -9.159 92 HA LEU 15 HA LEU 15 5.893 -20.654 -8.975 93 HB2 LEU 15 HB2 LEU 15 6.687 -17.883 -10.052 94 HB3 LEU 15 HB1 LEU 15 7.734 -19.343 -10.037 95 HG LEU 15 HG LEU 15 5.105 -19.026 -11.580 96 HD11 LEU 15 HD11 LEU 15 6.446 -18.929 -13.612 97 HD12 LEU 15 HD12 LEU 15 7.968 -19.248 -12.697 98 HD13 LEU 15 HD13 LEU 15 7.086 -17.691 -12.467 99 HD21 LEU 15 HD21 LEU 15 6.073 -21.233 -12.712 100 HD22 LEU 15 HD22 LEU 15 5.165 -21.339 -11.156 101 HD23 LEU 15 HD23 LEU 15 6.969 -21.410 -11.156 102 H THR 16 H THR 16 7.463 -20.844 -7.325 103 HA THR 16 HA THR 16 7.281 -18.694 -5.368 104 HB THR 16 HB THR 16 8.358 -20.291 -3.809 105 HG1 THR 16 HG1 THR 16 8.387 -22.509 -4.749 106 HG21 THR 16 HG21 THR 16 6.088 -21.755 -5.251 107 HG22 THR 16 HG22 THR 16 5.791 -20.218 -4.352 108 HG23 THR 16 HG23 THR 16 6.431 -21.663 -3.482 109 H HIS 17 H HIS 17 9.131 -19.565 -8.034 110 HA HIS 17 HA HIS 17 11.582 -18.640 -6.715 111 HB2 HIS 17 HB2 HIS 17 11.202 -20.056 -9.420 112 HB3 HIS 17 HB1 HIS 17 12.784 -19.466 -8.782 113 HD2 HIS 17 HD2 HIS 17 10.071 -22.295 -7.887 114 HE1 HIS 17 HE1 HIS 17 13.819 -23.242 -6.171 115 HE2 HIS 17 HE2 HIS 17 11.438 -24.031 -6.590 116 H ARG 18 H ARG 18 8.929 -17.351 -8.128 117 HA ARG 18 HA ARG 18 10.574 -15.300 -9.406 118 HB2 ARG 18 HB2 ARG 18 8.042 -16.618 -10.495 119 HB3 ARG 18 HB1 ARG 18 8.513 -14.957 -10.976 120 HG2 ARG 18 HG2 ARG 18 10.546 -17.209 -11.214 121 HG3 ARG 18 HG1 ARG 18 9.244 -17.056 -12.443 122 HD2 ARG 18 HD2 ARG 18 11.132 -14.720 -11.672 123 HD3 ARG 18 HD1 ARG 18 11.417 -15.849 -13.071 124 HE ARG 18 HE ARG 18 8.732 -14.816 -13.249 125 HH11 ARG 18 HH11 ARG 18 12.151 -13.830 -13.465 126 HH12 ARG 18 HH12 ARG 18 11.870 -12.548 -14.594 127 HH21 ARG 18 HH21 ARG 18 8.352 -13.065 -14.791 128 HH22 ARG 18 HH22 ARG 18 9.677 -12.105 -15.359 129 H LYS 19 H LYS 19 8.224 -16.271 -7.086 130 HA LYS 19 HA LYS 19 6.620 -13.944 -7.165 131 HB2 LYS 19 HB3 LYS 19 5.816 -14.588 -4.933 132 HB3 LYS 19 HB2 LYS 19 5.900 -16.052 -5.972 133 HG2 LYS 19 HG2 LYS 19 8.146 -16.606 -4.976 134 HG3 LYS 19 HG1 LYS 19 7.993 -15.181 -3.893 135 HD2 LYS 19 HD2 LYS 19 5.900 -16.165 -2.933 136 HD3 LYS 19 HD1 LYS 19 6.088 -17.597 -3.990 137 HE2 LYS 19 HE3 LYS 19 8.276 -18.135 -2.881 138 HE3 LYS 19 HE2 LYS 19 8.088 -16.682 -1.811 139 HZ1 LYS 19 HZ1 LYS 19 7.278 -19.102 -1.160 140 HZ2 LYS 19 HZ2 LYS 19 5.855 -18.558 -1.909 141 HZ3 LYS 19 HZ3 LYS 19 6.515 -17.688 -0.609 142 H GLN 20 H GLN 20 9.867 -14.679 -6.085 143 HA GLN 20 HA GLN 20 9.991 -12.701 -4.074 144 HB2 GLN 20 HB2 GLN 20 12.188 -13.918 -5.849 145 HB3 GLN 20 HB1 GLN 20 12.515 -12.767 -4.504 146 HG2 GLN 20 HG3 GLN 20 11.507 -14.372 -2.854 147 HG3 GLN 20 HG2 GLN 20 11.175 -15.534 -4.205 148 HE21 GLN 20 HE21 GLN 20 12.611 -17.187 -3.761 149 HE22 GLN 20 HE22 GLN 20 14.328 -16.995 -3.669 150 H GLY 21 H GLY 21 10.552 -12.769 -7.647 151 HA2 GLY 21 HA2 GLY 21 11.432 -10.042 -7.634 152 HA3 GLY 21 HA1 GLY 21 11.010 -11.085 -9.065 153 H CYS 22 H CYS 22 8.421 -11.854 -8.591 154 HA CYS 22 HA CYS 22 7.091 -9.239 -8.644 155 HB2 CYS 22 HB2 CYS 22 6.199 -11.993 -9.668 156 HB3 CYS 22 HB1 CYS 22 5.149 -10.539 -9.648 157 H GLN 23 H GLN 23 7.032 -8.999 -6.323 158 HA GLN 23 HA GLN 23 5.522 -11.100 -4.982 159 HB2 GLN 23 HB2 GLN 23 6.367 -10.312 -2.930 160 HB3 GLN 23 HB1 GLN 23 7.732 -9.961 -4.029 161 HG2 GLN 23 HG2 GLN 23 6.607 -7.588 -4.342 162 HG3 GLN 23 HG1 GLN 23 5.689 -8.012 -2.843 163 HE21 GLN 23 HE21 GLN 23 8.981 -7.610 -4.241 164 HE22 GLN 23 HE22 GLN 23 9.795 -7.360 -2.737 165 H LYS 24 H LYS 24 5.352 -7.801 -6.239 166 HA LYS 24 HA LYS 24 3.115 -7.046 -4.664 167 HB2 LYS 24 HB2 LYS 24 4.563 -5.339 -5.833 168 HB3 LYS 24 HB1 LYS 24 4.004 -5.998 -7.409 169 HG2 LYS 24 HG2 LYS 24 1.647 -5.384 -6.839 170 HG3 LYS 24 HG1 LYS 24 2.204 -4.718 -5.265 171 HD2 LYS 24 HD2 LYS 24 3.625 -3.055 -6.476 172 HD3 LYS 24 HD1 LYS 24 3.081 -3.727 -8.050 173 HE2 LYS 24 HE3 LYS 24 0.714 -3.074 -7.514 174 HE3 LYS 24 HE2 LYS 24 1.262 -2.402 -5.922 175 HZ1 LYS 24 HZ1 LYS 24 2.093 -0.614 -6.903 176 HZ2 LYS 24 HZ2 LYS 24 1.080 -1.024 -8.203 177 HZ3 LYS 24 HZ3 LYS 24 2.722 -1.453 -8.237 178 H THR 25 H THR 25 3.625 -8.693 -7.818 179 HA THR 25 HA THR 25 0.813 -8.557 -8.411 180 HB THR 25 HB THR 25 2.949 -8.904 -10.060 181 HG1 THR 25 HG1 THR 25 0.465 -8.857 -10.321 182 HG21 THR 25 HG21 THR 25 3.388 -11.161 -8.847 183 HG22 THR 25 HG22 THR 25 3.287 -11.232 -10.645 184 HG23 THR 25 HG23 THR 25 1.887 -11.769 -9.643 185 H CYS 26 H CYS 26 2.982 -10.567 -6.542 186 HA CYS 26 HA CYS 26 1.274 -12.854 -6.728 187 HB2 CYS 26 HB2 CYS 26 3.898 -12.669 -6.071 188 HB3 CYS 26 HB1 CYS 26 3.200 -12.479 -4.436 189 H GLY 27 H GLY 27 1.778 -10.005 -4.601 190 HA2 GLY 27 HA2 GLY 27 0.012 -9.131 -3.369 191 HA3 GLY 27 HA1 GLY 27 -0.717 -10.796 -3.279 192 H LEU 28 H LEU 28 2.698 -10.803 -2.925 193 HA LEU 28 HA LEU 28 2.478 -11.749 -0.281 194 HB2 LEU 28 HB2 LEU 28 4.904 -10.682 -1.844 195 HB3 LEU 28 HB1 LEU 28 5.017 -11.401 -0.198 196 HG LEU 28 HG LEU 28 3.855 -12.857 -2.626 197 HD11 LEU 28 HD11 LEU 28 6.216 -14.182 -2.090 198 HD12 LEU 28 HD12 LEU 28 6.696 -12.482 -1.723 199 HD13 LEU 28 HD13 LEU 28 6.030 -12.901 -3.347 200 HD21 LEU 28 HD21 LEU 28 4.541 -14.876 -0.992 201 HD22 LEU 28 HD22 LEU 28 2.964 -14.018 -0.808 202 HD23 LEU 28 HD23 LEU 28 4.345 -13.612 0.281 203 H CYS 29 H CYS 29 3.240 -8.565 -1.783 204 HA CYS 29 HA CYS 29 2.692 -7.395 0.823 205 HB2 CYS 29 HB2 CYS 29 5.262 -7.602 0.583 206 HB3 CYS 29 HB1 CYS 29 5.112 -6.545 -0.863 Start of MODEL 14 1 H1 CYS 1 HT1 CYS 1 4.840 -2.310 -0.261 2 H2 CYS 1 HT2 CYS 1 3.968 -2.374 -1.719 3 H3 CYS 1 HT3 CYS 1 5.157 -1.181 -1.492 4 HA CYS 1 HA CYS 1 6.884 -2.629 -1.728 5 HB2 CYS 1 HB2 CYS 1 4.879 -4.930 -1.389 6 HB3 CYS 1 HB1 CYS 1 6.652 -5.110 -1.609 7 H GLU 2 H GLU 2 7.451 -2.400 -3.867 8 HA GLU 2 HA GLU 2 5.418 -3.221 -5.789 9 HB2 GLU 2 HB3 GLU 2 7.902 -1.442 -6.031 10 HB3 GLU 2 HB2 GLU 2 7.021 -2.068 -7.473 11 HG2 GLU 2 HG2 GLU 2 4.976 -0.877 -6.856 12 HG3 GLU 2 HG1 GLU 2 5.675 -0.412 -5.262 13 H ASN 3 H ASN 3 6.427 -4.217 -7.888 14 HA ASN 3 HA ASN 3 7.960 -6.455 -6.945 15 HB2 ASN 3 HB2 ASN 3 8.033 -6.846 -9.633 16 HB3 ASN 3 HB1 ASN 3 6.568 -7.249 -8.672 17 HD21 ASN 3 HD21 ASN 3 4.780 -6.700 -9.816 18 HD22 ASN 3 HD22 ASN 3 4.551 -5.225 -10.691 19 H THR 4 H THR 4 10.091 -7.091 -8.058 20 HA THR 4 HA THR 4 11.606 -4.603 -8.428 21 HB THR 4 HB THR 4 13.640 -6.023 -8.101 22 HG1 THR 4 HG1 THR 4 12.425 -8.142 -7.056 23 HG21 THR 4 HG21 THR 4 11.562 -6.487 -5.872 24 HG22 THR 4 HG22 THR 4 12.354 -4.893 -6.176 25 HG23 THR 4 HG23 THR 4 13.351 -6.321 -5.701 26 H ILE 5 H ILE 5 9.961 -6.923 -10.245 27 HA ILE 5 HA ILE 5 11.783 -6.379 -12.470 28 HB ILE 5 HB ILE 5 11.216 -8.648 -13.418 29 HG12 ILE 5 HG12 ILE 5 10.260 -9.210 -10.541 30 HG13 ILE 5 HG11 ILE 5 9.160 -8.933 -11.934 31 HG21 ILE 5 HG21 ILE 5 13.369 -7.987 -12.149 32 HG22 ILE 5 HG22 ILE 5 12.986 -9.751 -12.182 33 HG23 ILE 5 HG23 ILE 5 12.656 -8.783 -10.695 34 HD11 ILE 5 HD11 ILE 5 11.307 -11.146 -11.884 35 HD12 ILE 5 HD12 ILE 5 9.985 -10.927 -13.092 36 HD13 ILE 5 HD13 ILE 5 9.588 -11.396 -11.395 37 H SER 6 H SER 6 10.606 -6.706 -14.643 38 HA SER 6 HA SER 6 7.834 -5.849 -14.215 39 HB2 SER 6 HB3 SER 6 9.747 -5.401 -16.587 40 HB3 SER 6 HB2 SER 6 7.987 -4.988 -16.626 41 HG SER 6 HG SER 6 9.311 -4.054 -14.417 42 H GLY 7 H GLY 7 6.402 -6.519 -16.293 43 HA2 GLY 7 HA2 GLY 7 5.636 -8.175 -17.607 44 HA3 GLY 7 HA1 GLY 7 7.261 -8.984 -17.470 45 H CYS 8 H CYS 8 5.229 -7.875 -14.746 46 HA CYS 8 HA CYS 8 5.417 -10.514 -13.652 47 HB2 CYS 8 HB2 CYS 8 3.980 -7.968 -12.714 48 HB3 CYS 8 HB1 CYS 8 3.894 -9.526 -11.827 49 H SER 9 H SER 9 3.618 -11.937 -13.198 50 HA SER 9 HA SER 9 1.147 -11.176 -14.540 51 HB2 SER 9 HB2 SER 9 2.586 -13.879 -14.930 52 HB3 SER 9 HB1 SER 9 0.918 -13.494 -15.517 53 HG SER 9 HG SER 9 2.743 -11.619 -16.250 54 H ARG 10 H ARG 10 -0.710 -12.601 -13.755 55 HA ARG 10 HA ARG 10 -0.438 -12.901 -10.950 56 HB2 ARG 10 HB3 ARG 10 -2.728 -13.750 -10.935 57 HB3 ARG 10 HB2 ARG 10 -2.657 -12.403 -12.121 58 HG2 ARG 10 HG2 ARG 10 -2.246 -14.206 -13.940 59 HG3 ARG 10 HG1 ARG 10 -2.697 -15.419 -12.692 60 HD2 ARG 10 HD3 ARG 10 -4.716 -14.912 -14.002 61 HD3 ARG 10 HD2 ARG 10 -4.917 -14.101 -12.384 62 HE ARG 10 HE ARG 10 -3.640 -12.319 -14.310 63 HH11 ARG 10 HH11 ARG 10 -6.716 -13.798 -13.292 64 HH12 ARG 10 HH12 ARG 10 -7.709 -12.507 -13.879 65 HH21 ARG 10 HH21 ARG 10 -4.996 -10.558 -15.110 66 HH22 ARG 10 HH22 ARG 10 -6.716 -10.636 -14.929 67 H ALA 11 H ALA 11 0.172 -14.943 -13.751 68 HA ALA 11 HA ALA 11 -0.065 -17.380 -12.267 69 HB1 ALA 11 HB1 ALA 11 1.404 -16.861 -14.926 70 HB2 ALA 11 HB2 ALA 11 -0.323 -17.369 -14.796 71 HB3 ALA 11 HB3 ALA 11 0.988 -18.481 -14.248 72 H ASP 12 H ASP 12 2.143 -14.766 -12.306 73 HA ASP 12 HA ASP 12 4.495 -16.378 -11.961 74 HB2 ASP 12 HB2 ASP 12 4.173 -13.725 -12.650 75 HB3 ASP 12 HB1 ASP 12 4.437 -13.561 -10.879 76 H CYS 13 H CYS 13 1.759 -15.365 -10.057 77 HA CYS 13 HA CYS 13 3.151 -15.366 -7.553 78 HB2 CYS 13 HB2 CYS 13 0.820 -14.247 -8.089 79 HB3 CYS 13 HB1 CYS 13 0.166 -15.905 -7.922 80 H LEU 14 H LEU 14 1.982 -17.726 -9.814 81 HA LEU 14 HA LEU 14 1.586 -19.736 -7.799 82 HB2 LEU 14 HB3 LEU 14 1.819 -19.924 -10.861 83 HB3 LEU 14 HB2 LEU 14 1.441 -21.313 -9.778 84 HG LEU 14 HG LEU 14 -0.246 -18.772 -9.756 85 HD11 LEU 14 HD11 LEU 14 0.015 -20.575 -11.996 86 HD12 LEU 14 HD12 LEU 14 -1.144 -19.209 -11.773 87 HD13 LEU 14 HD13 LEU 14 -1.593 -20.873 -11.236 88 HD21 LEU 14 HD21 LEU 14 -0.825 -20.047 -7.867 89 HD22 LEU 14 HD22 LEU 14 -0.556 -21.624 -8.705 90 HD23 LEU 14 HD23 LEU 14 -2.017 -20.634 -9.088 91 H LEU 15 H LEU 15 4.260 -18.177 -9.265 92 HA LEU 15 HA LEU 15 5.882 -20.596 -8.991 93 HB2 LEU 15 HB2 LEU 15 6.599 -17.837 -10.155 94 HB3 LEU 15 HB1 LEU 15 7.713 -19.246 -10.064 95 HG LEU 15 HG LEU 15 5.071 -19.183 -11.617 96 HD11 LEU 15 HD11 LEU 15 6.251 -18.773 -13.614 97 HD12 LEU 15 HD12 LEU 15 7.833 -19.300 -12.924 98 HD13 LEU 15 HD13 LEU 15 7.119 -17.716 -12.439 99 HD21 LEU 15 HD21 LEU 15 6.317 -21.298 -12.709 100 HD22 LEU 15 HD22 LEU 15 5.351 -21.465 -11.193 101 HD23 LEU 15 HD23 LEU 15 7.150 -21.352 -11.109 102 H THR 16 H THR 16 7.346 -20.784 -7.273 103 HA THR 16 HA THR 16 7.196 -18.576 -5.387 104 HB THR 16 HB THR 16 8.261 -20.140 -3.785 105 HG1 THR 16 HG1 THR 16 8.248 -22.390 -4.722 106 HG21 THR 16 HG21 THR 16 5.994 -21.627 -5.213 107 HG22 THR 16 HG22 THR 16 5.698 -20.075 -4.340 108 HG23 THR 16 HG23 THR 16 6.331 -21.509 -3.444 109 H HIS 17 H HIS 17 9.102 -19.628 -7.986 110 HA HIS 17 HA HIS 17 11.543 -18.678 -6.682 111 HB2 HIS 17 HB2 HIS 17 11.112 -20.051 -9.401 112 HB3 HIS 17 HB1 HIS 17 12.709 -19.460 -8.800 113 HD2 HIS 17 HD2 HIS 17 10.007 -22.267 -7.772 114 HE1 HIS 17 HE1 HIS 17 13.845 -23.283 -6.312 115 HE2 HIS 17 HE2 HIS 17 11.427 -24.028 -6.570 116 H ARG 18 H ARG 18 8.888 -17.368 -8.117 117 HA ARG 18 HA ARG 18 10.551 -15.287 -9.328 118 HB2 ARG 18 HB2 ARG 18 7.980 -16.524 -10.426 119 HB3 ARG 18 HB1 ARG 18 8.543 -14.893 -10.911 120 HG2 ARG 18 HG2 ARG 18 10.474 -17.229 -11.124 121 HG3 ARG 18 HG1 ARG 18 9.170 -17.060 -12.349 122 HD2 ARG 18 HD2 ARG 18 11.130 -14.765 -11.643 123 HD3 ARG 18 HD1 ARG 18 11.385 -15.942 -13.007 124 HE ARG 18 HE ARG 18 8.730 -14.835 -13.216 125 HH11 ARG 18 HH11 ARG 18 12.177 -13.971 -13.473 126 HH12 ARG 18 HH12 ARG 18 11.936 -12.720 -14.645 127 HH21 ARG 18 HH21 ARG 18 8.403 -13.128 -14.817 128 HH22 ARG 18 HH22 ARG 18 9.756 -12.233 -15.421 129 H LYS 19 H LYS 19 8.345 -16.261 -6.942 130 HA LYS 19 HA LYS 19 6.634 -14.012 -6.984 131 HB2 LYS 19 HB3 LYS 19 5.927 -14.657 -4.743 132 HB3 LYS 19 HB2 LYS 19 6.145 -16.168 -5.693 133 HG2 LYS 19 HG2 LYS 19 8.469 -16.405 -4.711 134 HG3 LYS 19 HG1 LYS 19 8.147 -14.963 -3.688 135 HD2 LYS 19 HD2 LYS 19 6.096 -16.212 -2.784 136 HD3 LYS 19 HD1 LYS 19 6.691 -17.669 -3.638 137 HE2 LYS 19 HE3 LYS 19 8.284 -16.099 -1.501 138 HE3 LYS 19 HE2 LYS 19 7.387 -17.648 -1.218 139 HZ1 LYS 19 HZ1 LYS 19 9.965 -17.395 -2.005 140 HZ2 LYS 19 HZ2 LYS 19 9.175 -17.750 -3.468 141 HZ3 LYS 19 HZ3 LYS 19 9.010 -18.793 -2.136 142 H GLN 20 H GLN 20 9.955 -14.610 -5.984 143 HA GLN 20 HA GLN 20 10.058 -12.511 -4.091 144 HB2 GLN 20 HB2 GLN 20 12.258 -13.825 -5.789 145 HB3 GLN 20 HB1 GLN 20 12.582 -12.574 -4.536 146 HG2 GLN 20 HG3 GLN 20 11.739 -14.034 -2.739 147 HG3 GLN 20 HG2 GLN 20 11.175 -15.258 -3.949 148 HE21 GLN 20 HE21 GLN 20 13.186 -15.581 -1.767 149 HE22 GLN 20 HE22 GLN 20 14.660 -16.064 -2.532 150 H GLY 21 H GLY 21 10.612 -12.806 -7.653 151 HA2 GLY 21 HA2 GLY 21 11.501 -10.102 -7.843 152 HA3 GLY 21 HA1 GLY 21 10.996 -11.217 -9.190 153 H CYS 22 H CYS 22 8.406 -11.891 -8.526 154 HA CYS 22 HA CYS 22 7.143 -9.241 -8.634 155 HB2 CYS 22 HB2 CYS 22 6.154 -11.969 -9.636 156 HB3 CYS 22 HB1 CYS 22 5.167 -10.471 -9.630 157 H GLN 23 H GLN 23 7.036 -8.944 -6.344 158 HA GLN 23 HA GLN 23 5.550 -11.037 -4.960 159 HB2 GLN 23 HB2 GLN 23 6.411 -10.226 -2.929 160 HB3 GLN 23 HB1 GLN 23 7.760 -9.847 -4.040 161 HG2 GLN 23 HG2 GLN 23 6.568 -7.504 -4.353 162 HG3 GLN 23 HG1 GLN 23 5.683 -7.944 -2.840 163 HE21 GLN 23 HE21 GLN 23 8.909 -7.356 -4.286 164 HE22 GLN 23 HE22 GLN 23 9.750 -7.117 -2.796 165 H LYS 24 H LYS 24 5.370 -7.769 -6.287 166 HA LYS 24 HA LYS 24 3.135 -6.979 -4.725 167 HB2 LYS 24 HB2 LYS 24 4.577 -5.297 -5.934 168 HB3 LYS 24 HB1 LYS 24 4.025 -5.998 -7.495 169 HG2 LYS 24 HG2 LYS 24 1.664 -5.374 -6.948 170 HG3 LYS 24 HG1 LYS 24 2.215 -4.668 -5.389 171 HD2 LYS 24 HD2 LYS 24 3.609 -3.011 -6.608 172 HD3 LYS 24 HD1 LYS 24 3.144 -3.745 -8.180 173 HE2 LYS 24 HE3 LYS 24 1.791 -1.703 -7.761 174 HE3 LYS 24 HE2 LYS 24 0.714 -3.159 -7.687 175 HZ1 LYS 24 HZ1 LYS 24 1.844 -2.592 -5.147 176 HZ2 LYS 24 HZ2 LYS 24 0.217 -2.671 -5.626 177 HZ3 LYS 24 HZ3 LYS 24 1.076 -1.214 -5.771 178 H THR 25 H THR 25 3.641 -8.685 -7.851 179 HA THR 25 HA THR 25 0.827 -8.579 -8.431 180 HB THR 25 HB THR 25 2.952 -8.940 -10.086 181 HG1 THR 25 HG1 THR 25 0.517 -8.853 -10.386 182 HG21 THR 25 HG21 THR 25 1.920 -11.806 -9.608 183 HG22 THR 25 HG22 THR 25 3.420 -11.170 -8.831 184 HG23 THR 25 HG23 THR 25 3.310 -11.275 -10.628 185 H CYS 26 H CYS 26 3.026 -10.556 -6.552 186 HA CYS 26 HA CYS 26 1.310 -12.844 -6.670 187 HB2 CYS 26 HB2 CYS 26 3.943 -12.678 -6.089 188 HB3 CYS 26 HB1 CYS 26 3.304 -12.422 -4.439 189 H GLY 27 H GLY 27 1.875 -9.967 -4.596 190 HA2 GLY 27 HA2 GLY 27 0.219 -9.049 -3.284 191 HA3 GLY 27 HA1 GLY 27 -0.634 -10.657 -3.263 192 H LEU 28 H LEU 28 2.842 -10.652 -2.853 193 HA LEU 28 HA LEU 28 2.566 -11.867 -0.320 194 HB2 LEU 28 HB2 LEU 28 5.007 -10.610 -1.712 195 HB3 LEU 28 HB1 LEU 28 5.097 -11.461 -0.127 196 HG LEU 28 HG LEU 28 4.043 -12.736 -2.702 197 HD11 LEU 28 HD11 LEU 28 6.828 -12.279 -1.772 198 HD12 LEU 28 HD12 LEU 28 6.208 -12.802 -3.384 199 HD13 LEU 28 HD13 LEU 28 6.462 -14.019 -2.077 200 HD21 LEU 28 HD21 LEU 28 3.125 -14.073 -1.028 201 HD22 LEU 28 HD22 LEU 28 4.447 -13.715 0.148 202 HD23 LEU 28 HD23 LEU 28 4.736 -14.867 -1.212 203 H CYS 29 H CYS 29 3.264 -8.544 -1.500 204 HA CYS 29 HA CYS 29 2.596 -7.625 1.169 205 HB2 CYS 29 HB2 CYS 29 5.074 -7.688 1.314 206 HB3 CYS 29 HB1 CYS 29 5.197 -6.893 -0.291 Start of MODEL 15 1 H1 CYS 1 HT1 CYS 1 5.892 -0.285 -1.747 2 H2 CYS 1 HT2 CYS 1 6.572 -0.714 -0.251 3 H3 CYS 1 HT3 CYS 1 5.040 -1.307 -0.688 4 HA CYS 1 HA CYS 1 7.679 -2.043 -1.745 5 HB2 CYS 1 HB2 CYS 1 6.744 -4.399 -1.394 6 HB3 CYS 1 HB1 CYS 1 6.928 -3.436 0.111 7 H GLU 2 H GLU 2 7.827 -3.298 -3.745 8 HA GLU 2 HA GLU 2 5.421 -3.630 -5.250 9 HB2 GLU 2 HB3 GLU 2 6.111 -2.292 -7.224 10 HB3 GLU 2 HB2 GLU 2 5.920 -1.216 -5.793 11 HG2 GLU 2 HG2 GLU 2 8.433 -1.325 -5.400 12 HG3 GLU 2 HG1 GLU 2 8.587 -2.301 -6.915 13 H ASN 3 H ASN 3 6.213 -4.466 -7.624 14 HA ASN 3 HA ASN 3 7.983 -6.605 -6.970 15 HB2 ASN 3 HB2 ASN 3 7.916 -6.866 -9.651 16 HB3 ASN 3 HB1 ASN 3 6.484 -7.327 -8.662 17 HD21 ASN 3 HD21 ASN 3 4.722 -6.815 -9.885 18 HD22 ASN 3 HD22 ASN 3 4.427 -5.280 -10.628 19 H THR 4 H THR 4 10.147 -6.978 -7.908 20 HA THR 4 HA THR 4 11.435 -4.396 -8.400 21 HB THR 4 HB THR 4 12.408 -5.998 -6.653 22 HG1 THR 4 HG1 THR 4 13.851 -5.210 -8.961 23 HG21 THR 4 HG21 THR 4 11.811 -7.977 -8.394 24 HG22 THR 4 HG22 THR 4 13.222 -8.110 -7.278 25 HG23 THR 4 HG23 THR 4 13.475 -7.627 -8.998 26 H ILE 5 H ILE 5 9.934 -6.840 -10.164 27 HA ILE 5 HA ILE 5 11.718 -6.242 -12.412 28 HB ILE 5 HB ILE 5 11.160 -8.527 -13.344 29 HG12 ILE 5 HG12 ILE 5 10.293 -9.098 -10.442 30 HG13 ILE 5 HG11 ILE 5 9.143 -8.817 -11.793 31 HG21 ILE 5 HG21 ILE 5 13.269 -7.700 -11.884 32 HG22 ILE 5 HG22 ILE 5 13.077 -9.434 -12.346 33 HG23 ILE 5 HG23 ILE 5 12.619 -8.886 -10.689 34 HD11 ILE 5 HD11 ILE 5 9.743 -11.298 -11.191 35 HD12 ILE 5 HD12 ILE 5 11.323 -10.970 -12.000 36 HD13 ILE 5 HD13 ILE 5 9.783 -10.823 -12.931 37 H SER 6 H SER 6 10.540 -6.585 -14.577 38 HA SER 6 HA SER 6 7.751 -5.788 -14.143 39 HB2 SER 6 HB3 SER 6 9.650 -5.270 -16.512 40 HB3 SER 6 HB2 SER 6 7.881 -4.889 -16.538 41 HG SER 6 HG SER 6 9.294 -3.968 -14.347 42 H GLY 7 H GLY 7 6.361 -6.454 -16.271 43 HA2 GLY 7 HA2 GLY 7 5.621 -8.123 -17.581 44 HA3 GLY 7 HA1 GLY 7 7.272 -8.884 -17.468 45 H CYS 8 H CYS 8 5.195 -7.879 -14.734 46 HA CYS 8 HA CYS 8 5.462 -10.549 -13.704 47 HB2 CYS 8 HB2 CYS 8 4.091 -8.019 -12.642 48 HB3 CYS 8 HB1 CYS 8 3.994 -9.605 -11.804 49 H SER 9 H SER 9 3.676 -11.973 -13.220 50 HA SER 9 HA SER 9 1.164 -11.168 -14.456 51 HB2 SER 9 HB2 SER 9 2.573 -13.870 -14.951 52 HB3 SER 9 HB1 SER 9 0.888 -13.464 -15.470 53 HG SER 9 HG SER 9 2.731 -11.597 -16.220 54 H ARG 10 H ARG 10 -0.678 -12.562 -13.616 55 HA ARG 10 HA ARG 10 -0.277 -12.956 -10.835 56 HB2 ARG 10 HB3 ARG 10 -2.587 -13.718 -10.726 57 HB3 ARG 10 HB2 ARG 10 -2.532 -12.354 -11.893 58 HG2 ARG 10 HG2 ARG 10 -2.264 -14.146 -13.754 59 HG3 ARG 10 HG1 ARG 10 -2.709 -15.357 -12.501 60 HD2 ARG 10 HD3 ARG 10 -4.759 -14.751 -13.720 61 HD3 ARG 10 HD2 ARG 10 -4.859 -13.959 -12.083 62 HE ARG 10 HE ARG 10 -3.593 -12.196 -14.033 63 HH11 ARG 10 HH11 ARG 10 -6.681 -13.573 -12.914 64 HH12 ARG 10 HH12 ARG 10 -7.646 -12.235 -13.440 65 HH21 ARG 10 HH21 ARG 10 -4.910 -10.370 -14.749 66 HH22 ARG 10 HH22 ARG 10 -6.624 -10.385 -14.500 67 H ALA 11 H ALA 11 0.285 -14.866 -13.690 68 HA ALA 11 HA ALA 11 -0.052 -17.374 -12.344 69 HB1 ALA 11 HB1 ALA 11 0.986 -18.398 -14.378 70 HB2 ALA 11 HB2 ALA 11 1.437 -16.753 -14.972 71 HB3 ALA 11 HB3 ALA 11 -0.301 -17.231 -14.867 72 H ASP 12 H ASP 12 2.241 -14.822 -12.278 73 HA ASP 12 HA ASP 12 4.511 -16.568 -11.936 74 HB2 ASP 12 HB2 ASP 12 4.105 -13.694 -12.319 75 HB3 ASP 12 HB1 ASP 12 5.054 -13.960 -10.819 76 H CYS 13 H CYS 13 1.787 -15.574 -10.105 77 HA CYS 13 HA CYS 13 3.165 -15.485 -7.577 78 HB2 CYS 13 HB2 CYS 13 0.876 -14.317 -8.143 79 HB3 CYS 13 HB1 CYS 13 0.172 -15.957 -7.987 80 H LEU 14 H LEU 14 2.074 -17.866 -9.819 81 HA LEU 14 HA LEU 14 1.599 -19.830 -7.758 82 HB2 LEU 14 HB3 LEU 14 1.797 -20.076 -10.818 83 HB3 LEU 14 HB2 LEU 14 1.402 -21.437 -9.706 84 HG LEU 14 HG LEU 14 -0.232 -18.861 -9.721 85 HD11 LEU 14 HD11 LEU 14 -0.335 -21.182 -11.679 86 HD12 LEU 14 HD12 LEU 14 -0.610 -19.418 -11.947 87 HD13 LEU 14 HD13 LEU 14 -1.881 -20.420 -11.147 88 HD21 LEU 14 HD21 LEU 14 -0.844 -20.061 -7.804 89 HD22 LEU 14 HD22 LEU 14 -0.569 -21.668 -8.577 90 HD23 LEU 14 HD23 LEU 14 -2.029 -20.700 -9.006 91 H LEU 15 H LEU 15 4.296 -18.308 -9.126 92 HA LEU 15 HA LEU 15 5.875 -20.764 -8.870 93 HB2 LEU 15 HB2 LEU 15 6.660 -18.053 -10.097 94 HB3 LEU 15 HB1 LEU 15 7.709 -19.510 -10.017 95 HG LEU 15 HG LEU 15 5.062 -19.277 -11.545 96 HD11 LEU 15 HD11 LEU 15 6.289 -19.091 -13.561 97 HD12 LEU 15 HD12 LEU 15 7.817 -19.702 -12.817 98 HD13 LEU 15 HD13 LEU 15 7.220 -18.046 -12.423 99 HD21 LEU 15 HD21 LEU 15 5.127 -21.563 -11.003 100 HD22 LEU 15 HD22 LEU 15 6.930 -21.635 -11.010 101 HD23 LEU 15 HD23 LEU 15 6.025 -21.542 -12.568 102 H THR 16 H THR 16 7.490 -20.872 -7.252 103 HA THR 16 HA THR 16 7.315 -18.662 -5.367 104 HB THR 16 HB THR 16 8.473 -20.179 -3.787 105 HG1 THR 16 HG1 THR 16 8.596 -22.409 -4.633 106 HG21 THR 16 HG21 THR 16 6.605 -21.620 -3.388 107 HG22 THR 16 HG22 THR 16 6.220 -21.749 -5.146 108 HG23 THR 16 HG23 THR 16 5.896 -20.209 -4.261 109 H HIS 17 H HIS 17 9.140 -19.612 -8.040 110 HA HIS 17 HA HIS 17 11.598 -18.588 -6.819 111 HB2 HIS 17 HB2 HIS 17 11.151 -20.023 -9.502 112 HB3 HIS 17 HB1 HIS 17 12.742 -19.390 -8.932 113 HD2 HIS 17 HD2 HIS 17 10.134 -22.271 -7.893 114 HE1 HIS 17 HE1 HIS 17 13.982 -23.131 -6.362 115 HE2 HIS 17 HE2 HIS 17 11.599 -23.969 -6.654 116 H ARG 18 H ARG 18 8.865 -17.379 -8.181 117 HA ARG 18 HA ARG 18 10.429 -15.291 -9.504 118 HB2 ARG 18 HB2 ARG 18 7.875 -16.648 -10.497 119 HB3 ARG 18 HB1 ARG 18 8.321 -14.988 -11.011 120 HG2 ARG 18 HG2 ARG 18 10.313 -17.286 -11.302 121 HG3 ARG 18 HG1 ARG 18 9.011 -17.040 -12.517 122 HD2 ARG 18 HD2 ARG 18 10.992 -14.804 -11.691 123 HD3 ARG 18 HD1 ARG 18 11.238 -15.909 -13.115 124 HE ARG 18 HE ARG 18 8.600 -14.787 -13.290 125 HH11 ARG 18 HH11 ARG 18 12.040 -13.876 -13.415 126 HH12 ARG 18 HH12 ARG 18 11.808 -12.543 -14.497 127 HH21 ARG 18 HH21 ARG 18 8.281 -12.971 -14.765 128 HH22 ARG 18 HH22 ARG 18 9.637 -12.021 -15.276 129 H LYS 19 H LYS 19 8.183 -16.295 -7.098 130 HA LYS 19 HA LYS 19 6.557 -13.975 -7.134 131 HB2 LYS 19 HB3 LYS 19 5.784 -14.645 -4.908 132 HB3 LYS 19 HB2 LYS 19 5.886 -16.111 -5.941 133 HG2 LYS 19 HG2 LYS 19 8.147 -16.622 -4.964 134 HG3 LYS 19 HG1 LYS 19 7.983 -15.192 -3.888 135 HD2 LYS 19 HD2 LYS 19 5.915 -16.203 -2.903 136 HD3 LYS 19 HD1 LYS 19 6.118 -17.641 -3.950 137 HE2 LYS 19 HE3 LYS 19 8.326 -18.127 -2.857 138 HE3 LYS 19 HE2 LYS 19 8.119 -16.672 -1.796 139 HZ1 LYS 19 HZ1 LYS 19 5.824 -18.363 -1.751 140 HZ2 LYS 19 HZ2 LYS 19 6.806 -17.810 -0.480 141 HZ3 LYS 19 HZ3 LYS 19 7.229 -19.218 -1.329 142 H GLN 20 H GLN 20 9.824 -14.729 -6.111 143 HA GLN 20 HA GLN 20 9.979 -12.747 -4.102 144 HB2 GLN 20 HB2 GLN 20 12.155 -13.994 -5.885 145 HB3 GLN 20 HB1 GLN 20 12.500 -12.845 -4.541 146 HG2 GLN 20 HG3 GLN 20 11.479 -14.437 -2.886 147 HG3 GLN 20 HG2 GLN 20 11.130 -15.596 -4.233 148 HE21 GLN 20 HE21 GLN 20 12.552 -17.265 -3.822 149 HE22 GLN 20 HE22 GLN 20 14.270 -17.092 -3.726 150 H GLY 21 H GLY 21 10.560 -12.841 -7.677 151 HA2 GLY 21 HA2 GLY 21 11.443 -10.116 -7.675 152 HA3 GLY 21 HA1 GLY 21 11.023 -11.164 -9.104 153 H CYS 22 H CYS 22 8.417 -11.938 -8.512 154 HA CYS 22 HA CYS 22 7.097 -9.318 -8.637 155 HB2 CYS 22 HB2 CYS 22 6.152 -12.079 -9.591 156 HB3 CYS 22 HB1 CYS 22 5.167 -10.581 -9.653 157 H GLN 23 H GLN 23 7.005 -9.024 -6.333 158 HA GLN 23 HA GLN 23 5.518 -11.120 -4.956 159 HB2 GLN 23 HB2 GLN 23 6.357 -10.296 -2.914 160 HB3 GLN 23 HB1 GLN 23 7.721 -9.953 -4.019 161 HG2 GLN 23 HG2 GLN 23 6.612 -7.590 -4.366 162 HG3 GLN 23 HG1 GLN 23 5.651 -7.992 -2.889 163 HE21 GLN 23 HE21 GLN 23 8.963 -7.540 -4.198 164 HE22 GLN 23 HE22 GLN 23 9.740 -7.296 -2.674 165 H LYS 24 H LYS 24 5.337 -7.833 -6.253 166 HA LYS 24 HA LYS 24 3.088 -7.077 -4.692 167 HB2 LYS 24 HB2 LYS 24 4.547 -5.380 -5.872 168 HB3 LYS 24 HB1 LYS 24 3.974 -6.041 -7.442 169 HG2 LYS 24 HG2 LYS 24 1.626 -5.412 -6.863 170 HG3 LYS 24 HG1 LYS 24 2.190 -4.754 -5.287 171 HD2 LYS 24 HD2 LYS 24 3.619 -3.094 -6.494 172 HD3 LYS 24 HD1 LYS 24 3.067 -3.758 -8.070 173 HE2 LYS 24 HE3 LYS 24 0.707 -3.092 -7.529 174 HE3 LYS 24 HE2 LYS 24 1.259 -2.432 -5.934 175 HZ1 LYS 24 HZ1 LYS 24 2.447 -1.534 -8.493 176 HZ2 LYS 24 HZ2 LYS 24 2.448 -0.770 -6.977 177 HZ3 LYS 24 HZ3 LYS 24 1.014 -0.859 -7.884 178 H THR 25 H THR 25 3.619 -8.737 -7.837 179 HA THR 25 HA THR 25 0.806 -8.623 -8.440 180 HB THR 25 HB THR 25 2.942 -8.959 -10.087 181 HG1 THR 25 HG1 THR 25 0.443 -8.969 -10.333 182 HG21 THR 25 HG21 THR 25 1.919 -11.834 -9.656 183 HG22 THR 25 HG22 THR 25 3.406 -11.203 -8.851 184 HG23 THR 25 HG23 THR 25 3.320 -11.284 -10.650 185 H CYS 26 H CYS 26 2.977 -10.597 -6.543 186 HA CYS 26 HA CYS 26 1.301 -12.909 -6.724 187 HB2 CYS 26 HB2 CYS 26 3.911 -12.693 -6.049 188 HB3 CYS 26 HB1 CYS 26 3.204 -12.474 -4.420 189 H GLY 27 H GLY 27 1.740 -10.030 -4.627 190 HA2 GLY 27 HA2 GLY 27 -0.054 -9.170 -3.422 191 HA3 GLY 27 HA1 GLY 27 -0.752 -10.847 -3.314 192 H LEU 28 H LEU 28 2.658 -10.794 -2.941 193 HA LEU 28 HA LEU 28 2.435 -11.697 -0.281 194 HB2 LEU 28 HB2 LEU 28 4.854 -10.636 -1.858 195 HB3 LEU 28 HB1 LEU 28 4.972 -11.320 -0.196 196 HG LEU 28 HG LEU 28 3.828 -12.839 -2.595 197 HD11 LEU 28 HD11 LEU 28 6.216 -14.117 -2.005 198 HD12 LEU 28 HD12 LEU 28 6.663 -12.391 -1.726 199 HD13 LEU 28 HD13 LEU 28 5.995 -12.904 -3.322 200 HD21 LEU 28 HD21 LEU 28 4.526 -14.819 -0.929 201 HD22 LEU 28 HD22 LEU 28 2.950 -13.960 -0.740 202 HD23 LEU 28 HD23 LEU 28 4.344 -13.535 0.326 203 H CYS 29 H CYS 29 3.158 -8.533 -1.839 204 HA CYS 29 HA CYS 29 2.587 -7.321 0.742 205 HB2 CYS 29 HB2 CYS 29 5.138 -7.472 0.593 206 HB3 CYS 29 HB1 CYS 29 5.037 -6.549 -0.946 Start of MODEL 16 1 H1 CYS 1 HT1 CYS 1 5.013 -1.341 -0.794 2 H2 CYS 1 HT2 CYS 1 5.719 -0.471 -2.071 3 H3 CYS 1 HT3 CYS 1 6.536 -0.614 -0.588 4 HA CYS 1 HA CYS 1 7.623 -2.151 -1.827 5 HB2 CYS 1 HB2 CYS 1 6.584 -4.480 -1.276 6 HB3 CYS 1 HB1 CYS 1 6.964 -3.404 0.111 7 H GLU 2 H GLU 2 7.863 -2.456 -4.017 8 HA GLU 2 HA GLU 2 5.447 -3.350 -5.409 9 HB2 GLU 2 HB3 GLU 2 7.720 -1.541 -6.407 10 HB3 GLU 2 HB2 GLU 2 6.523 -2.324 -7.503 11 HG2 GLU 2 HG2 GLU 2 4.663 -1.095 -6.471 12 HG3 GLU 2 HG1 GLU 2 5.761 -0.420 -5.214 13 H ASN 3 H ASN 3 6.398 -4.266 -7.751 14 HA ASN 3 HA ASN 3 7.943 -6.512 -6.857 15 HB2 ASN 3 HB2 ASN 3 7.991 -6.862 -9.554 16 HB3 ASN 3 HB1 ASN 3 6.536 -7.281 -8.582 17 HD21 ASN 3 HD21 ASN 3 4.806 -6.793 -9.860 18 HD22 ASN 3 HD22 ASN 3 4.540 -5.275 -10.649 19 H THR 4 H THR 4 10.081 -7.130 -7.905 20 HA THR 4 HA THR 4 11.597 -4.652 -8.293 21 HB THR 4 HB THR 4 13.627 -6.083 -7.998 22 HG1 THR 4 HG1 THR 4 12.554 -8.224 -6.975 23 HG21 THR 4 HG21 THR 4 13.354 -6.416 -5.602 24 HG22 THR 4 HG22 THR 4 11.563 -6.578 -5.764 25 HG23 THR 4 HG23 THR 4 12.356 -4.981 -6.048 26 H ILE 5 H ILE 5 9.951 -6.997 -10.101 27 HA ILE 5 HA ILE 5 11.721 -6.396 -12.356 28 HB ILE 5 HB ILE 5 11.256 -8.659 -13.308 29 HG12 ILE 5 HG12 ILE 5 10.143 -9.262 -10.492 30 HG13 ILE 5 HG11 ILE 5 9.129 -9.004 -11.954 31 HG21 ILE 5 HG21 ILE 5 12.547 -8.884 -10.519 32 HG22 ILE 5 HG22 ILE 5 13.325 -7.981 -11.876 33 HG23 ILE 5 HG23 ILE 5 12.992 -9.746 -12.040 34 HD11 ILE 5 HD11 ILE 5 10.492 -10.931 -13.062 35 HD12 ILE 5 HD12 ILE 5 9.342 -11.391 -11.750 36 HD13 ILE 5 HD13 ILE 5 11.110 -11.290 -11.405 37 H SER 6 H SER 6 10.503 -6.709 -14.512 38 HA SER 6 HA SER 6 7.718 -5.939 -14.005 39 HB2 SER 6 HB3 SER 6 9.340 -4.323 -15.349 40 HB3 SER 6 HB2 SER 6 9.176 -5.547 -16.672 41 HG SER 6 HG SER 6 7.588 -3.604 -16.205 42 H GLY 7 H GLY 7 6.400 -6.529 -16.290 43 HA2 GLY 7 HA2 GLY 7 5.631 -8.203 -17.570 44 HA3 GLY 7 HA1 GLY 7 7.262 -8.999 -17.409 45 H CYS 8 H CYS 8 5.218 -7.926 -14.691 46 HA CYS 8 HA CYS 8 5.401 -10.562 -13.613 47 HB2 CYS 8 HB2 CYS 8 3.916 -8.039 -12.693 48 HB3 CYS 8 HB1 CYS 8 3.832 -9.601 -11.813 49 H SER 9 H SER 9 3.624 -12.013 -13.196 50 HA SER 9 HA SER 9 1.159 -11.291 -14.569 51 HB2 SER 9 HB2 SER 9 2.656 -13.964 -14.951 52 HB3 SER 9 HB1 SER 9 0.988 -13.612 -15.556 53 HG SER 9 HG SER 9 2.864 -11.732 -16.239 54 H ARG 10 H ARG 10 -0.668 -12.811 -13.836 55 HA ARG 10 HA ARG 10 -0.437 -13.093 -11.021 56 HB2 ARG 10 HB3 ARG 10 -2.697 -14.055 -11.060 57 HB3 ARG 10 HB2 ARG 10 -2.654 -12.651 -12.180 58 HG2 ARG 10 HG2 ARG 10 -2.357 -14.180 -14.124 59 HG3 ARG 10 HG1 ARG 10 -2.355 -15.599 -13.021 60 HD2 ARG 10 HD3 ARG 10 -4.730 -13.617 -13.259 61 HD3 ARG 10 HD2 ARG 10 -4.606 -15.197 -14.156 62 HE ARG 10 HE ARG 10 -4.148 -15.760 -11.398 63 HH11 ARG 10 HH11 ARG 10 -6.681 -14.476 -13.550 64 HH12 ARG 10 HH12 ARG 10 -8.004 -15.057 -12.596 65 HH21 ARG 10 HH21 ARG 10 -5.954 -16.553 -10.097 66 HH22 ARG 10 HH22 ARG 10 -7.584 -16.256 -10.602 67 H ALA 11 H ALA 11 0.395 -15.064 -13.782 68 HA ALA 11 HA ALA 11 0.155 -17.533 -12.332 69 HB1 ALA 11 HB1 ALA 11 1.642 -16.932 -14.964 70 HB2 ALA 11 HB2 ALA 11 -0.050 -17.548 -14.853 71 HB3 ALA 11 HB3 ALA 11 1.324 -18.577 -14.295 72 H ASP 12 H ASP 12 2.274 -14.851 -12.297 73 HA ASP 12 HA ASP 12 4.651 -16.422 -11.874 74 HB2 ASP 12 HB2 ASP 12 4.045 -13.589 -12.296 75 HB3 ASP 12 HB1 ASP 12 4.988 -13.773 -10.780 76 H CYS 13 H CYS 13 1.833 -15.518 -10.104 77 HA CYS 13 HA CYS 13 3.179 -15.395 -7.556 78 HB2 CYS 13 HB2 CYS 13 0.903 -14.225 -8.137 79 HB3 CYS 13 HB1 CYS 13 0.191 -15.865 -8.025 80 H LEU 14 H LEU 14 2.111 -17.787 -9.807 81 HA LEU 14 HA LEU 14 1.670 -19.752 -7.729 82 HB2 LEU 14 HB3 LEU 14 1.749 -19.993 -10.795 83 HB3 LEU 14 HB2 LEU 14 1.394 -21.355 -9.670 84 HG LEU 14 HG LEU 14 -0.234 -18.774 -9.626 85 HD11 LEU 14 HD11 LEU 14 -1.791 -20.748 -10.960 86 HD12 LEU 14 HD12 LEU 14 -0.177 -20.791 -11.764 87 HD13 LEU 14 HD13 LEU 14 -1.092 -19.239 -11.660 88 HD21 LEU 14 HD21 LEU 14 -0.739 -19.988 -7.672 89 HD22 LEU 14 HD22 LEU 14 -0.558 -21.591 -8.483 90 HD23 LEU 14 HD23 LEU 14 -2.009 -20.570 -8.815 91 H LEU 15 H LEU 15 4.317 -18.234 -9.186 92 HA LEU 15 HA LEU 15 5.893 -20.697 -9.044 93 HB2 LEU 15 HB2 LEU 15 6.605 -17.938 -10.207 94 HB3 LEU 15 HB1 LEU 15 7.718 -19.347 -10.148 95 HG LEU 15 HG LEU 15 5.032 -19.290 -11.625 96 HD11 LEU 15 HD11 LEU 15 6.321 -19.135 -13.718 97 HD12 LEU 15 HD12 LEU 15 7.878 -19.140 -12.806 98 HD13 LEU 15 HD13 LEU 15 6.741 -17.748 -12.645 99 HD21 LEU 15 HD21 LEU 15 5.358 -21.571 -11.209 100 HD22 LEU 15 HD22 LEU 15 7.158 -21.438 -11.212 101 HD23 LEU 15 HD23 LEU 15 6.245 -21.386 -12.768 102 H THR 16 H THR 16 7.599 -20.857 -7.510 103 HA THR 16 HA THR 16 7.436 -18.775 -5.488 104 HB THR 16 HB THR 16 8.703 -20.345 -4.051 105 HG1 THR 16 HG1 THR 16 8.821 -22.526 -5.068 106 HG21 THR 16 HG21 THR 16 6.449 -21.912 -5.409 107 HG22 THR 16 HG22 THR 16 6.107 -20.427 -4.440 108 HG23 THR 16 HG23 THR 16 6.893 -21.853 -3.661 109 H HIS 17 H HIS 17 9.201 -19.534 -8.268 110 HA HIS 17 HA HIS 17 11.657 -18.476 -7.076 111 HB2 HIS 17 HB2 HIS 17 11.168 -19.803 -9.806 112 HB3 HIS 17 HB1 HIS 17 12.754 -19.131 -9.265 113 HD2 HIS 17 HD2 HIS 17 10.303 -22.163 -8.276 114 HE1 HIS 17 HE1 HIS 17 14.232 -22.923 -6.908 115 HE2 HIS 17 HE2 HIS 17 11.878 -23.850 -7.166 116 H ARG 18 H ARG 18 8.828 -17.340 -8.367 117 HA ARG 18 HA ARG 18 10.285 -15.127 -9.610 118 HB2 ARG 18 HB2 ARG 18 7.661 -16.402 -10.555 119 HB3 ARG 18 HB1 ARG 18 8.259 -14.808 -11.122 120 HG2 ARG 18 HG2 ARG 18 9.962 -17.340 -11.374 121 HG3 ARG 18 HG1 ARG 18 8.737 -16.896 -12.610 122 HD2 ARG 18 HD2 ARG 18 10.984 -14.959 -11.719 123 HD3 ARG 18 HD1 ARG 18 11.138 -16.102 -13.126 124 HE ARG 18 HE ARG 18 8.680 -14.628 -13.402 125 HH11 ARG 18 HH11 ARG 18 12.221 -14.225 -13.437 126 HH12 ARG 18 HH12 ARG 18 12.214 -12.899 -14.550 127 HH21 ARG 18 HH21 ARG 18 8.671 -12.819 -14.920 128 HH22 ARG 18 HH22 ARG 18 10.163 -12.086 -15.406 129 H LYS 19 H LYS 19 8.128 -16.311 -7.198 130 HA LYS 19 HA LYS 19 6.433 -14.034 -7.082 131 HB2 LYS 19 HB3 LYS 19 5.719 -14.820 -4.872 132 HB3 LYS 19 HB2 LYS 19 5.852 -16.246 -5.956 133 HG2 LYS 19 HG2 LYS 19 8.229 -16.597 -5.029 134 HG3 LYS 19 HG1 LYS 19 7.849 -15.337 -3.804 135 HD2 LYS 19 HD2 LYS 19 6.131 -17.856 -4.229 136 HD3 LYS 19 HD1 LYS 19 7.505 -17.784 -3.072 137 HE2 LYS 19 HE3 LYS 19 6.369 -15.886 -1.861 138 HE3 LYS 19 HE2 LYS 19 4.977 -15.996 -3.017 139 HZ1 LYS 19 HZ1 LYS 19 4.594 -18.231 -2.285 140 HZ2 LYS 19 HZ2 LYS 19 4.617 -17.188 -0.946 141 HZ3 LYS 19 HZ3 LYS 19 5.947 -18.196 -1.260 142 H GLN 20 H GLN 20 9.735 -14.764 -6.121 143 HA GLN 20 HA GLN 20 9.856 -12.802 -4.079 144 HB2 GLN 20 HB2 GLN 20 12.060 -14.037 -5.836 145 HB3 GLN 20 HB1 GLN 20 12.379 -12.902 -4.474 146 HG2 GLN 20 HG3 GLN 20 11.321 -14.514 -2.857 147 HG3 GLN 20 HG2 GLN 20 11.012 -15.661 -4.225 148 HE21 GLN 20 HE21 GLN 20 12.434 -17.326 -3.837 149 HE22 GLN 20 HE22 GLN 20 14.147 -17.145 -3.680 150 H GLY 21 H GLY 21 10.473 -12.884 -7.647 151 HA2 GLY 21 HA2 GLY 21 11.397 -10.180 -7.644 152 HA3 GLY 21 HA1 GLY 21 10.929 -11.207 -9.071 153 H CYS 22 H CYS 22 8.309 -11.911 -8.457 154 HA CYS 22 HA CYS 22 7.065 -9.250 -8.541 155 HB2 CYS 22 HB2 CYS 22 6.037 -11.975 -9.516 156 HB3 CYS 22 HB1 CYS 22 5.079 -10.457 -9.534 157 H GLN 23 H GLN 23 7.064 -9.010 -6.216 158 HA GLN 23 HA GLN 23 5.550 -11.069 -4.828 159 HB2 GLN 23 HB2 GLN 23 6.373 -10.192 -2.793 160 HB3 GLN 23 HB1 GLN 23 7.744 -9.900 -3.904 161 HG2 GLN 23 HG2 GLN 23 6.658 -7.533 -4.322 162 HG3 GLN 23 HG1 GLN 23 5.706 -7.881 -2.825 163 HE21 GLN 23 HE21 GLN 23 9.006 -7.491 -4.175 164 HE22 GLN 23 HE22 GLN 23 9.802 -7.218 -2.666 165 H LYS 24 H LYS 24 5.354 -7.771 -6.121 166 HA LYS 24 HA LYS 24 3.081 -7.051 -4.577 167 HB2 LYS 24 HB2 LYS 24 4.534 -5.318 -5.706 168 HB3 LYS 24 HB1 LYS 24 4.007 -5.971 -7.298 169 HG2 LYS 24 HG2 LYS 24 1.636 -5.385 -6.760 170 HG3 LYS 24 HG1 LYS 24 2.159 -4.728 -5.171 171 HD2 LYS 24 HD2 LYS 24 3.582 -3.038 -6.339 172 HD3 LYS 24 HD1 LYS 24 3.076 -3.701 -7.930 173 HE2 LYS 24 HE3 LYS 24 0.692 -3.079 -7.436 174 HE3 LYS 24 HE2 LYS 24 1.200 -2.415 -5.828 175 HZ1 LYS 24 HZ1 LYS 24 2.628 -1.453 -8.185 176 HZ2 LYS 24 HZ2 LYS 24 2.133 -0.637 -6.782 177 HZ3 LYS 24 HZ3 LYS 24 1.012 -0.967 -8.014 178 H THR 25 H THR 25 3.672 -8.673 -7.729 179 HA THR 25 HA THR 25 0.878 -8.559 -8.394 180 HB THR 25 HB THR 25 3.130 -8.985 -9.938 181 HG1 THR 25 HG1 THR 25 0.511 -8.971 -10.212 182 HG21 THR 25 HG21 THR 25 1.786 -11.748 -9.624 183 HG22 THR 25 HG22 THR 25 3.328 -11.298 -8.799 184 HG23 THR 25 HG23 THR 25 3.245 -11.331 -10.600 185 H CYS 26 H CYS 26 3.006 -10.563 -6.462 186 HA CYS 26 HA CYS 26 1.295 -12.848 -6.666 187 HB2 CYS 26 HB2 CYS 26 3.904 -12.661 -5.954 188 HB3 CYS 26 HB1 CYS 26 3.172 -12.460 -4.337 189 H GLY 27 H GLY 27 1.747 -9.975 -4.563 190 HA2 GLY 27 HA2 GLY 27 -0.061 -9.098 -3.386 191 HA3 GLY 27 HA1 GLY 27 -0.761 -10.775 -3.265 192 H LEU 28 H LEU 28 2.653 -10.693 -2.868 193 HA LEU 28 HA LEU 28 2.412 -11.582 -0.204 194 HB2 LEU 28 HB2 LEU 28 4.840 -10.527 -1.769 195 HB3 LEU 28 HB1 LEU 28 4.946 -11.200 -0.102 196 HG LEU 28 HG LEU 28 3.835 -12.731 -2.508 197 HD11 LEU 28 HD11 LEU 28 6.332 -13.859 -1.572 198 HD12 LEU 28 HD12 LEU 28 6.594 -12.101 -1.874 199 HD13 LEU 28 HD13 LEU 28 5.945 -13.155 -3.187 200 HD21 LEU 28 HD21 LEU 28 4.279 -13.409 0.426 201 HD22 LEU 28 HD22 LEU 28 4.493 -14.702 -0.814 202 HD23 LEU 28 HD23 LEU 28 2.913 -13.842 -0.672 203 H CYS 29 H CYS 29 3.143 -8.427 -1.777 204 HA CYS 29 HA CYS 29 2.548 -7.199 0.791 205 HB2 CYS 29 HB2 CYS 29 5.120 -7.381 0.607 206 HB3 CYS 29 HB1 CYS 29 4.990 -6.373 -0.877 Start of MODEL 17 1 H1 CYS 1 HT1 CYS 1 5.596 -1.343 -0.144 2 H2 CYS 1 HT2 CYS 1 5.297 -0.690 -1.684 3 H3 CYS 1 HT3 CYS 1 6.757 -0.345 -0.884 4 HA CYS 1 HA CYS 1 7.716 -2.095 -1.734 5 HB2 CYS 1 HB2 CYS 1 6.734 -4.436 -1.408 6 HB3 CYS 1 HB1 CYS 1 6.915 -3.484 0.103 7 H GLU 2 H GLU 2 7.842 -3.409 -3.718 8 HA GLU 2 HA GLU 2 5.457 -3.654 -5.261 9 HB2 GLU 2 HB3 GLU 2 6.222 -2.340 -7.229 10 HB3 GLU 2 HB2 GLU 2 6.018 -1.259 -5.803 11 HG2 GLU 2 HG2 GLU 2 8.516 -1.411 -5.351 12 HG3 GLU 2 HG1 GLU 2 8.690 -2.400 -6.854 13 H ASN 3 H ASN 3 6.272 -4.495 -7.633 14 HA ASN 3 HA ASN 3 7.962 -6.691 -6.956 15 HB2 ASN 3 HB2 ASN 3 7.936 -6.935 -9.642 16 HB3 ASN 3 HB1 ASN 3 6.477 -7.366 -8.678 17 HD21 ASN 3 HD21 ASN 3 4.713 -6.769 -9.843 18 HD22 ASN 3 HD22 ASN 3 4.483 -5.234 -10.611 19 H THR 4 H THR 4 10.103 -7.157 -8.000 20 HA THR 4 HA THR 4 11.493 -4.604 -8.391 21 HB THR 4 HB THR 4 13.594 -5.927 -8.082 22 HG1 THR 4 HG1 THR 4 12.623 -8.102 -7.022 23 HG21 THR 4 HG21 THR 4 12.263 -4.859 -6.148 24 HG22 THR 4 HG22 THR 4 13.343 -6.228 -5.682 25 HG23 THR 4 HG23 THR 4 11.564 -6.494 -5.835 26 H ILE 5 H ILE 5 9.913 -6.936 -10.214 27 HA ILE 5 HA ILE 5 11.735 -6.362 -12.435 28 HB ILE 5 HB ILE 5 11.173 -8.623 -13.402 29 HG12 ILE 5 HG12 ILE 5 10.216 -9.225 -10.533 30 HG13 ILE 5 HG11 ILE 5 9.110 -8.911 -11.914 31 HG21 ILE 5 HG21 ILE 5 12.936 -9.737 -12.164 32 HG22 ILE 5 HG22 ILE 5 12.602 -8.777 -10.674 33 HG23 ILE 5 HG23 ILE 5 13.320 -7.974 -12.122 34 HD11 ILE 5 HD11 ILE 5 9.789 -10.905 -13.073 35 HD12 ILE 5 HD12 ILE 5 9.631 -11.404 -11.347 36 HD13 ILE 5 HD13 ILE 5 11.263 -11.100 -12.053 37 H SER 6 H SER 6 10.567 -6.653 -14.610 38 HA SER 6 HA SER 6 7.792 -5.808 -14.179 39 HB2 SER 6 HB3 SER 6 9.711 -5.332 -16.540 40 HB3 SER 6 HB2 SER 6 7.950 -4.919 -16.580 41 HG SER 6 HG SER 6 9.365 -4.020 -14.381 42 H GLY 7 H GLY 7 6.363 -6.458 -16.263 43 HA2 GLY 7 HA2 GLY 7 5.589 -8.103 -17.584 44 HA3 GLY 7 HA1 GLY 7 7.225 -8.897 -17.482 45 H CYS 8 H CYS 8 5.242 -7.856 -14.701 46 HA CYS 8 HA CYS 8 5.443 -10.531 -13.688 47 HB2 CYS 8 HB2 CYS 8 4.138 -7.971 -12.620 48 HB3 CYS 8 HB1 CYS 8 3.977 -9.555 -11.790 49 H SER 9 H SER 9 3.631 -11.925 -13.191 50 HA SER 9 HA SER 9 1.121 -11.078 -14.393 51 HB2 SER 9 HB2 SER 9 2.501 -13.777 -14.980 52 HB3 SER 9 HB1 SER 9 0.811 -13.347 -15.461 53 HG SER 9 HG SER 9 2.634 -11.465 -16.196 54 H ARG 10 H ARG 10 -0.718 -12.512 -13.585 55 HA ARG 10 HA ARG 10 -0.300 -12.962 -10.814 56 HB2 ARG 10 HB3 ARG 10 -2.612 -13.839 -10.755 57 HB3 ARG 10 HB2 ARG 10 -2.564 -12.332 -11.730 58 HG2 ARG 10 HG2 ARG 10 -2.481 -13.678 -13.832 59 HG3 ARG 10 HG1 ARG 10 -2.517 -15.193 -12.867 60 HD2 ARG 10 HD3 ARG 10 -4.750 -13.042 -12.771 61 HD3 ARG 10 HD2 ARG 10 -4.798 -14.540 -13.804 62 HE ARG 10 HE ARG 10 -4.220 -15.397 -11.154 63 HH11 ARG 10 HH11 ARG 10 -6.763 -13.676 -12.959 64 HH12 ARG 10 HH12 ARG 10 -8.063 -14.228 -11.957 65 HH21 ARG 10 HH21 ARG 10 -5.996 -16.150 -9.788 66 HH22 ARG 10 HH22 ARG 10 -7.620 -15.656 -10.126 67 H ALA 11 H ALA 11 0.264 -14.811 -13.708 68 HA ALA 11 HA ALA 11 -0.056 -17.346 -12.402 69 HB1 ALA 11 HB1 ALA 11 0.986 -18.325 -14.466 70 HB2 ALA 11 HB2 ALA 11 1.381 -16.661 -15.042 71 HB3 ALA 11 HB3 ALA 11 -0.341 -17.186 -14.912 72 H ASP 12 H ASP 12 2.215 -14.786 -12.296 73 HA ASP 12 HA ASP 12 4.495 -16.538 -12.000 74 HB2 ASP 12 HB2 ASP 12 4.093 -13.661 -12.390 75 HB3 ASP 12 HB1 ASP 12 5.063 -13.927 -10.903 76 H CYS 13 H CYS 13 1.787 -15.570 -10.153 77 HA CYS 13 HA CYS 13 3.195 -15.454 -7.637 78 HB2 CYS 13 HB2 CYS 13 0.921 -14.264 -8.165 79 HB3 CYS 13 HB1 CYS 13 0.194 -15.894 -8.039 80 H LEU 14 H LEU 14 2.197 -17.848 -9.863 81 HA LEU 14 HA LEU 14 1.688 -19.794 -7.777 82 HB2 LEU 14 HB3 LEU 14 1.827 -20.054 -10.839 83 HB3 LEU 14 HB2 LEU 14 1.455 -21.412 -9.714 84 HG LEU 14 HG LEU 14 -0.180 -18.836 -9.704 85 HD11 LEU 14 HD11 LEU 14 -0.110 -20.913 -11.811 86 HD12 LEU 14 HD12 LEU 14 -0.930 -19.304 -11.784 87 HD13 LEU 14 HD13 LEU 14 -1.744 -20.746 -11.064 88 HD21 LEU 14 HD21 LEU 14 -0.495 -21.643 -8.547 89 HD22 LEU 14 HD22 LEU 14 -1.962 -20.668 -8.941 90 HD23 LEU 14 HD23 LEU 14 -0.746 -20.034 -7.768 91 H LEU 15 H LEU 15 4.382 -18.265 -9.041 92 HA LEU 15 HA LEU 15 5.942 -20.746 -8.876 93 HB2 LEU 15 HB2 LEU 15 6.595 -18.040 -10.181 94 HB3 LEU 15 HB1 LEU 15 7.810 -19.340 -9.930 95 HG LEU 15 HG LEU 15 5.221 -19.669 -11.534 96 HD11 LEU 15 HD11 LEU 15 8.093 -19.109 -12.496 97 HD12 LEU 15 HD12 LEU 15 6.632 -18.079 -12.727 98 HD13 LEU 15 HD13 LEU 15 6.753 -19.672 -13.563 99 HD21 LEU 15 HD21 LEU 15 7.559 -21.525 -10.885 100 HD22 LEU 15 HD22 LEU 15 6.676 -21.705 -12.448 101 HD23 LEU 15 HD23 LEU 15 5.785 -21.857 -10.886 102 H THR 16 H THR 16 7.607 -20.879 -7.312 103 HA THR 16 HA THR 16 7.405 -18.778 -5.307 104 HB THR 16 HB THR 16 8.993 -21.393 -5.201 105 HG1 THR 16 HG1 THR 16 6.860 -21.284 -3.604 106 HG21 THR 16 HG21 THR 16 8.514 -20.760 -2.616 107 HG22 THR 16 HG22 THR 16 8.414 -19.094 -3.295 108 HG23 THR 16 HG23 THR 16 9.918 -20.062 -3.508 109 H HIS 17 H HIS 17 9.349 -19.718 -8.018 110 HA HIS 17 HA HIS 17 11.702 -18.455 -6.831 111 HB2 HIS 17 HB2 HIS 17 11.309 -19.895 -9.519 112 HB3 HIS 17 HB1 HIS 17 12.850 -19.103 -9.014 113 HD2 HIS 17 HD2 HIS 17 12.065 -20.612 -5.777 114 HE1 HIS 17 HE1 HIS 17 13.515 -23.872 -8.042 115 HE2 HIS 17 HE2 HIS 17 12.977 -23.003 -5.714 116 H ARG 18 H ARG 18 8.880 -17.381 -8.150 117 HA ARG 18 HA ARG 18 10.319 -15.197 -9.471 118 HB2 ARG 18 HB2 ARG 18 7.726 -16.552 -10.372 119 HB3 ARG 18 HB1 ARG 18 8.236 -14.933 -10.949 120 HG2 ARG 18 HG2 ARG 18 10.087 -17.353 -11.212 121 HG3 ARG 18 HG1 ARG 18 8.795 -17.034 -12.419 122 HD2 ARG 18 HD2 ARG 18 10.912 -14.908 -11.644 123 HD3 ARG 18 HD1 ARG 18 11.114 -16.072 -13.027 124 HE ARG 18 HE ARG 18 8.543 -14.804 -13.267 125 HH11 ARG 18 HH11 ARG 18 12.037 -14.120 -13.409 126 HH12 ARG 18 HH12 ARG 18 11.893 -12.824 -14.548 127 HH21 ARG 18 HH21 ARG 18 8.347 -13.037 -14.822 128 HH22 ARG 18 HH22 ARG 18 9.762 -12.198 -15.364 129 H LYS 19 H LYS 19 8.285 -16.279 -6.950 130 HA LYS 19 HA LYS 19 6.522 -14.057 -6.924 131 HB2 LYS 19 HB3 LYS 19 5.819 -14.773 -4.731 132 HB3 LYS 19 HB2 LYS 19 6.144 -16.280 -5.654 133 HG2 LYS 19 HG2 LYS 19 8.447 -16.380 -4.630 134 HG3 LYS 19 HG1 LYS 19 8.048 -14.926 -3.650 135 HD2 LYS 19 HD2 LYS 19 6.040 -16.247 -2.745 136 HD3 LYS 19 HD1 LYS 19 6.726 -17.697 -3.541 137 HE2 LYS 19 HE3 LYS 19 8.836 -17.436 -2.195 138 HE3 LYS 19 HE2 LYS 19 8.129 -15.978 -1.382 139 HZ1 LYS 19 HZ1 LYS 19 7.521 -17.542 0.069 140 HZ2 LYS 19 HZ2 LYS 19 7.507 -18.809 -1.061 141 HZ3 LYS 19 HZ3 LYS 19 6.198 -17.728 -0.979 142 H GLN 20 H GLN 20 9.872 -14.656 -6.001 143 HA GLN 20 HA GLN 20 9.996 -12.565 -4.090 144 HB2 GLN 20 HB2 GLN 20 12.190 -13.864 -5.813 145 HB3 GLN 20 HB1 GLN 20 12.515 -12.641 -4.533 146 HG2 GLN 20 HG3 GLN 20 11.158 -15.385 -4.052 147 HG3 GLN 20 HG2 GLN 20 12.892 -14.989 -3.710 148 HE21 GLN 20 HE21 GLN 20 10.155 -15.486 -2.082 149 HE22 GLN 20 HE22 GLN 20 10.254 -14.292 -0.833 150 H GLY 21 H GLY 21 10.578 -12.860 -7.655 151 HA2 GLY 21 HA2 GLY 21 11.430 -10.141 -7.835 152 HA3 GLY 21 HA1 GLY 21 10.961 -11.265 -9.189 153 H CYS 22 H CYS 22 8.370 -11.988 -8.443 154 HA CYS 22 HA CYS 22 7.062 -9.362 -8.628 155 HB2 CYS 22 HB2 CYS 22 6.097 -12.123 -9.568 156 HB3 CYS 22 HB1 CYS 22 5.125 -10.617 -9.634 157 H GLN 23 H GLN 23 6.912 -9.018 -6.355 158 HA GLN 23 HA GLN 23 5.446 -11.122 -4.959 159 HB2 GLN 23 HB2 GLN 23 6.313 -10.321 -2.922 160 HB3 GLN 23 HB1 GLN 23 7.669 -9.971 -4.035 161 HG2 GLN 23 HG2 GLN 23 6.544 -7.605 -4.357 162 HG3 GLN 23 HG1 GLN 23 5.620 -8.019 -2.859 163 HE21 GLN 23 HE21 GLN 23 8.896 -7.548 -4.246 164 HE22 GLN 23 HE22 GLN 23 9.710 -7.314 -2.740 165 H LYS 24 H LYS 24 5.306 -7.828 -6.246 166 HA LYS 24 HA LYS 24 3.073 -7.043 -4.682 167 HB2 LYS 24 HB2 LYS 24 4.544 -5.366 -5.874 168 HB3 LYS 24 HB1 LYS 24 3.959 -6.028 -7.440 169 HG2 LYS 24 HG2 LYS 24 1.622 -5.369 -6.858 170 HG3 LYS 24 HG1 LYS 24 2.195 -4.714 -5.286 171 HD2 LYS 24 HD2 LYS 24 3.640 -3.071 -6.498 172 HD3 LYS 24 HD1 LYS 24 3.078 -3.732 -8.072 173 HE2 LYS 24 HE3 LYS 24 0.725 -3.043 -7.528 174 HE3 LYS 24 HE2 LYS 24 1.288 -2.382 -5.936 175 HZ1 LYS 24 HZ1 LYS 24 2.158 -1.492 -8.639 176 HZ2 LYS 24 HZ2 LYS 24 2.748 -0.894 -7.164 177 HZ3 LYS 24 HZ3 LYS 24 1.117 -0.672 -7.580 178 H THR 25 H THR 25 3.570 -8.710 -7.830 179 HA THR 25 HA THR 25 0.749 -8.581 -8.398 180 HB THR 25 HB THR 25 2.863 -8.890 -10.080 181 HG1 THR 25 HG1 THR 25 0.402 -8.837 -10.335 182 HG21 THR 25 HG21 THR 25 1.847 -11.772 -9.684 183 HG22 THR 25 HG22 THR 25 3.335 -11.153 -8.873 184 HG23 THR 25 HG23 THR 25 3.244 -11.202 -10.673 185 H CYS 26 H CYS 26 2.930 -10.546 -6.521 186 HA CYS 26 HA CYS 26 1.289 -12.882 -6.726 187 HB2 CYS 26 HB2 CYS 26 3.897 -12.615 -6.024 188 HB3 CYS 26 HB1 CYS 26 3.166 -12.449 -4.403 189 H GLY 27 H GLY 27 1.688 -10.014 -4.600 190 HA2 GLY 27 HA2 GLY 27 -0.131 -9.184 -3.405 191 HA3 GLY 27 HA1 GLY 27 -0.799 -10.874 -3.300 192 H LEU 28 H LEU 28 2.601 -10.798 -2.922 193 HA LEU 28 HA LEU 28 2.381 -11.676 -0.254 194 HB2 LEU 28 HB2 LEU 28 4.801 -10.627 -1.838 195 HB3 LEU 28 HB1 LEU 28 4.916 -11.306 -0.175 196 HG LEU 28 HG LEU 28 3.775 -12.831 -2.571 197 HD11 LEU 28 HD11 LEU 28 6.605 -12.378 -1.702 198 HD12 LEU 28 HD12 LEU 28 5.940 -12.917 -3.291 199 HD13 LEU 28 HD13 LEU 28 6.162 -14.109 -1.954 200 HD21 LEU 28 HD21 LEU 28 4.287 -13.525 0.352 201 HD22 LEU 28 HD22 LEU 28 4.450 -14.811 -0.903 202 HD23 LEU 28 HD23 LEU 28 2.885 -13.935 -0.708 203 H CYS 29 H CYS 29 3.102 -8.529 -1.844 204 HA CYS 29 HA CYS 29 2.513 -7.282 0.712 205 HB2 CYS 29 HB2 CYS 29 5.063 -7.465 0.625 206 HB3 CYS 29 HB1 CYS 29 5.010 -6.565 -0.929 Start of MODEL 18 1 H1 CYS 1 HT1 CYS 1 4.796 -2.314 -0.298 2 H2 CYS 1 HT2 CYS 1 4.010 -2.275 -1.806 3 H3 CYS 1 HT3 CYS 1 5.235 -1.150 -1.458 4 HA CYS 1 HA CYS 1 6.905 -2.634 -1.715 5 HB2 CYS 1 HB2 CYS 1 4.841 -4.887 -1.408 6 HB3 CYS 1 HB1 CYS 1 6.611 -5.113 -1.609 7 H GLU 2 H GLU 2 7.531 -2.440 -3.843 8 HA GLU 2 HA GLU 2 5.512 -3.200 -5.808 9 HB2 GLU 2 HB3 GLU 2 8.056 -1.499 -6.003 10 HB3 GLU 2 HB2 GLU 2 7.177 -2.093 -7.459 11 HG2 GLU 2 HG2 GLU 2 5.164 -0.835 -6.869 12 HG3 GLU 2 HG1 GLU 2 5.855 -0.399 -5.263 13 H ASN 3 H ASN 3 6.547 -4.214 -7.891 14 HA ASN 3 HA ASN 3 8.014 -6.488 -6.910 15 HB2 ASN 3 HB2 ASN 3 8.081 -6.912 -9.595 16 HB3 ASN 3 HB1 ASN 3 6.609 -7.276 -8.629 17 HD21 ASN 3 HD21 ASN 3 4.844 -6.724 -9.813 18 HD22 ASN 3 HD22 ASN 3 4.639 -5.247 -10.693 19 H THR 4 H THR 4 10.127 -7.182 -8.044 20 HA THR 4 HA THR 4 11.707 -4.735 -8.383 21 HB THR 4 HB THR 4 13.700 -6.222 -8.129 22 HG1 THR 4 HG1 THR 4 12.477 -8.347 -7.144 23 HG21 THR 4 HG21 THR 4 11.639 -6.714 -5.891 24 HG22 THR 4 HG22 THR 4 12.464 -5.129 -6.149 25 HG23 THR 4 HG23 THR 4 13.434 -6.596 -5.739 26 H ILE 5 H ILE 5 10.027 -7.074 -10.212 27 HA ILE 5 HA ILE 5 11.779 -6.433 -12.473 28 HB ILE 5 HB ILE 5 11.290 -8.673 -13.463 29 HG12 ILE 5 HG12 ILE 5 10.180 -9.324 -10.659 30 HG13 ILE 5 HG11 ILE 5 9.161 -9.016 -12.106 31 HG21 ILE 5 HG21 ILE 5 13.364 -8.037 -12.008 32 HG22 ILE 5 HG22 ILE 5 13.024 -9.795 -12.232 33 HG23 ILE 5 HG23 ILE 5 12.580 -8.980 -10.685 34 HD11 ILE 5 HD11 ILE 5 11.225 -11.287 -11.783 35 HD12 ILE 5 HD12 ILE 5 10.293 -10.947 -13.289 36 HD13 ILE 5 HD13 ILE 5 9.429 -11.452 -11.789 37 H SER 6 H SER 6 10.553 -6.675 -14.624 38 HA SER 6 HA SER 6 7.780 -5.881 -14.091 39 HB2 SER 6 HB3 SER 6 9.416 -4.279 -15.431 40 HB3 SER 6 HB2 SER 6 9.233 -5.491 -16.762 41 HG SER 6 HG SER 6 7.697 -3.549 -16.387 42 H GLY 7 H GLY 7 6.413 -6.441 -16.339 43 HA2 GLY 7 HA2 GLY 7 5.603 -8.093 -17.623 44 HA3 GLY 7 HA1 GLY 7 7.231 -8.902 -17.511 45 H CYS 8 H CYS 8 5.258 -7.853 -14.733 46 HA CYS 8 HA CYS 8 5.439 -10.517 -13.708 47 HB2 CYS 8 HB2 CYS 8 4.071 -7.969 -12.687 48 HB3 CYS 8 HB1 CYS 8 3.937 -9.547 -11.841 49 H SER 9 H SER 9 3.634 -11.923 -13.226 50 HA SER 9 HA SER 9 1.142 -11.123 -14.499 51 HB2 SER 9 HB2 SER 9 2.555 -13.825 -14.982 52 HB3 SER 9 HB1 SER 9 0.873 -13.420 -15.516 53 HG SER 9 HG SER 9 2.760 -11.570 -16.242 54 H ARG 10 H ARG 10 -0.700 -12.561 -13.699 55 HA ARG 10 HA ARG 10 -0.348 -12.928 -10.906 56 HB2 ARG 10 HB3 ARG 10 -2.650 -13.745 -10.845 57 HB3 ARG 10 HB2 ARG 10 -2.591 -12.360 -11.988 58 HG2 ARG 10 HG2 ARG 10 -2.239 -14.142 -13.863 59 HG3 ARG 10 HG1 ARG 10 -2.744 -15.353 -12.635 60 HD2 ARG 10 HD3 ARG 10 -4.741 -14.723 -13.929 61 HD3 ARG 10 HD2 ARG 10 -4.896 -13.933 -12.296 62 HE ARG 10 HE ARG 10 -3.537 -12.181 -14.194 63 HH11 ARG 10 HH11 ARG 10 -6.681 -13.523 -13.194 64 HH12 ARG 10 HH12 ARG 10 -7.610 -12.173 -13.752 65 HH21 ARG 10 HH21 ARG 10 -4.806 -10.337 -14.954 66 HH22 ARG 10 HH22 ARG 10 -6.527 -10.334 -14.769 67 H ALA 11 H ALA 11 0.299 -14.849 -13.736 68 HA ALA 11 HA ALA 11 -0.017 -17.350 -12.363 69 HB1 ALA 11 HB1 ALA 11 -0.253 -17.210 -14.900 70 HB2 ALA 11 HB2 ALA 11 1.006 -18.393 -14.379 71 HB3 ALA 11 HB3 ALA 11 1.493 -16.763 -14.984 72 H ASP 12 H ASP 12 2.217 -14.762 -12.282 73 HA ASP 12 HA ASP 12 4.522 -16.465 -11.924 74 HB2 ASP 12 HB2 ASP 12 4.072 -13.603 -12.350 75 HB3 ASP 12 HB1 ASP 12 5.020 -13.832 -10.844 76 H CYS 13 H CYS 13 1.772 -15.510 -10.122 77 HA CYS 13 HA CYS 13 3.150 -15.369 -7.590 78 HB2 CYS 13 HB2 CYS 13 0.875 -14.190 -8.161 79 HB3 CYS 13 HB1 CYS 13 0.155 -15.823 -8.013 80 H LEU 14 H LEU 14 2.140 -17.778 -9.810 81 HA LEU 14 HA LEU 14 1.639 -19.710 -7.710 82 HB2 LEU 14 HB3 LEU 14 1.749 -19.981 -10.771 83 HB3 LEU 14 HB2 LEU 14 1.390 -21.338 -9.640 84 HG LEU 14 HG LEU 14 -0.245 -18.760 -9.625 85 HD11 LEU 14 HD11 LEU 14 -1.016 -19.250 -11.694 86 HD12 LEU 14 HD12 LEU 14 -1.830 -20.678 -10.948 87 HD13 LEU 14 HD13 LEU 14 -0.206 -20.862 -11.710 88 HD21 LEU 14 HD21 LEU 14 -0.767 -19.953 -7.666 89 HD22 LEU 14 HD22 LEU 14 -0.560 -21.564 -8.453 90 HD23 LEU 14 HD23 LEU 14 -2.019 -20.565 -8.812 91 H LEU 15 H LEU 15 4.332 -18.203 -9.014 92 HA LEU 15 HA LEU 15 5.879 -20.691 -8.848 93 HB2 LEU 15 HB2 LEU 15 6.577 -17.984 -10.130 94 HB3 LEU 15 HB1 LEU 15 7.741 -19.339 -9.940 95 HG LEU 15 HG LEU 15 5.110 -19.491 -11.505 96 HD11 LEU 15 HD11 LEU 15 6.601 -19.559 -13.552 97 HD12 LEU 15 HD12 LEU 15 8.006 -19.140 -12.499 98 HD13 LEU 15 HD13 LEU 15 6.636 -17.981 -12.678 99 HD21 LEU 15 HD21 LEU 15 6.408 -21.612 -12.462 100 HD22 LEU 15 HD22 LEU 15 5.528 -21.722 -10.891 101 HD23 LEU 15 HD23 LEU 15 7.320 -21.516 -10.908 102 H THR 16 H THR 16 7.569 -20.826 -7.305 103 HA THR 16 HA THR 16 7.378 -18.736 -5.284 104 HB THR 16 HB THR 16 8.987 -21.338 -5.210 105 HG1 THR 16 HG1 THR 16 6.849 -21.237 -3.605 106 HG21 THR 16 HG21 THR 16 8.647 -20.800 -2.642 107 HG22 THR 16 HG22 THR 16 8.286 -19.127 -3.208 108 HG23 THR 16 HG23 THR 16 9.889 -19.872 -3.563 109 H HIS 17 H HIS 17 9.362 -19.745 -7.975 110 HA HIS 17 HA HIS 17 11.691 -18.436 -6.812 111 HB2 HIS 17 HB2 HIS 17 11.287 -19.880 -9.495 112 HB3 HIS 17 HB1 HIS 17 12.823 -19.064 -9.018 113 HD2 HIS 17 HD2 HIS 17 12.082 -20.576 -5.762 114 HE1 HIS 17 HE1 HIS 17 13.595 -23.809 -8.030 115 HE2 HIS 17 HE2 HIS 17 13.047 -22.947 -5.701 116 H ARG 18 H ARG 18 8.853 -17.388 -8.155 117 HA ARG 18 HA ARG 18 10.286 -15.186 -9.459 118 HB2 ARG 18 HB2 ARG 18 7.661 -16.496 -10.341 119 HB3 ARG 18 HB1 ARG 18 8.244 -14.917 -10.956 120 HG2 ARG 18 HG2 ARG 18 9.981 -17.427 -11.153 121 HG3 ARG 18 HG1 ARG 18 8.715 -17.069 -12.375 122 HD2 ARG 18 HD2 ARG 18 10.932 -15.037 -11.625 123 HD3 ARG 18 HD1 ARG 18 11.079 -16.234 -12.988 124 HE ARG 18 HE ARG 18 8.577 -14.840 -13.259 125 HH11 ARG 18 HH11 ARG 18 12.100 -14.340 -13.399 126 HH12 ARG 18 HH12 ARG 18 12.027 -13.059 -14.563 127 HH21 ARG 18 HH21 ARG 18 8.477 -13.093 -14.846 128 HH22 ARG 18 HH22 ARG 18 9.936 -12.339 -15.397 129 H LYS 19 H LYS 19 8.317 -16.260 -6.907 130 HA LYS 19 HA LYS 19 6.507 -14.077 -6.872 131 HB2 LYS 19 HB3 LYS 19 5.874 -14.771 -4.649 132 HB3 LYS 19 HB2 LYS 19 6.210 -16.286 -5.555 133 HG2 LYS 19 HG2 LYS 19 8.534 -16.328 -4.588 134 HG3 LYS 19 HG1 LYS 19 8.141 -14.857 -3.634 135 HD2 LYS 19 HD2 LYS 19 6.210 -16.157 -2.601 136 HD3 LYS 19 HD1 LYS 19 6.819 -17.623 -3.429 137 HE2 LYS 19 HE3 LYS 19 9.007 -17.405 -2.209 138 HE3 LYS 19 HE2 LYS 19 8.383 -15.926 -1.365 139 HZ1 LYS 19 HZ1 LYS 19 8.208 -18.313 -0.340 140 HZ2 LYS 19 HZ2 LYS 19 6.778 -18.378 -1.253 141 HZ3 LYS 19 HZ3 LYS 19 6.996 -17.147 -0.104 142 H GLN 20 H GLN 20 9.882 -14.622 -5.948 143 HA GLN 20 HA GLN 20 9.983 -12.449 -4.127 144 HB2 GLN 20 HB2 GLN 20 12.184 -13.846 -5.758 145 HB3 GLN 20 HB1 GLN 20 12.509 -12.537 -4.565 146 HG2 GLN 20 HG3 GLN 20 11.658 -13.907 -2.700 147 HG3 GLN 20 HG2 GLN 20 11.095 -15.187 -3.852 148 HE21 GLN 20 HE21 GLN 20 13.123 -15.357 -1.640 149 HE22 GLN 20 HE22 GLN 20 14.589 -15.898 -2.382 150 H GLY 21 H GLY 21 10.565 -12.904 -7.670 151 HA2 GLY 21 HA2 GLY 21 11.474 -10.228 -7.992 152 HA3 GLY 21 HA1 GLY 21 10.917 -11.384 -9.283 153 H CYS 22 H CYS 22 8.323 -11.973 -8.412 154 HA CYS 22 HA CYS 22 7.116 -9.300 -8.614 155 HB2 CYS 22 HB2 CYS 22 6.033 -12.015 -9.553 156 HB3 CYS 22 HB1 CYS 22 5.120 -10.471 -9.600 157 H GLN 23 H GLN 23 6.963 -8.932 -6.356 158 HA GLN 23 HA GLN 23 5.494 -11.009 -4.923 159 HB2 GLN 23 HB2 GLN 23 6.387 -10.195 -2.911 160 HB3 GLN 23 HB1 GLN 23 7.722 -9.806 -4.037 161 HG2 GLN 23 HG2 GLN 23 6.515 -7.472 -4.339 162 HG3 GLN 23 HG1 GLN 23 5.642 -7.916 -2.820 163 HE21 GLN 23 HE21 GLN 23 8.862 -7.330 -4.287 164 HE22 GLN 23 HE22 GLN 23 9.707 -7.079 -2.802 165 H LYS 24 H LYS 24 5.344 -7.736 -6.263 166 HA LYS 24 HA LYS 24 3.106 -6.938 -4.710 167 HB2 LYS 24 HB2 LYS 24 4.569 -5.259 -5.902 168 HB3 LYS 24 HB1 LYS 24 4.016 -5.946 -7.470 169 HG2 LYS 24 HG2 LYS 24 1.660 -5.306 -6.929 170 HG3 LYS 24 HG1 LYS 24 2.207 -4.617 -5.362 171 HD2 LYS 24 HD2 LYS 24 3.646 -2.980 -6.584 172 HD3 LYS 24 HD1 LYS 24 3.117 -3.676 -8.153 173 HE2 LYS 24 HE3 LYS 24 0.748 -3.003 -7.657 174 HE3 LYS 24 HE2 LYS 24 1.279 -2.308 -6.069 175 HZ1 LYS 24 HZ1 LYS 24 2.789 -1.397 -8.359 176 HZ2 LYS 24 HZ2 LYS 24 2.102 -0.532 -7.069 177 HZ3 LYS 24 HZ3 LYS 24 1.144 -0.982 -8.397 178 H THR 25 H THR 25 3.624 -8.632 -7.840 179 HA THR 25 HA THR 25 0.813 -8.506 -8.436 180 HB THR 25 HB THR 25 2.965 -8.881 -10.073 181 HG1 THR 25 HG1 THR 25 0.512 -8.749 -10.375 182 HG21 THR 25 HG21 THR 25 3.264 -11.216 -10.649 183 HG22 THR 25 HG22 THR 25 1.846 -11.723 -9.656 184 HG23 THR 25 HG23 THR 25 3.353 -11.143 -8.850 185 H CYS 26 H CYS 26 2.994 -10.502 -6.555 186 HA CYS 26 HA CYS 26 1.279 -12.788 -6.704 187 HB2 CYS 26 HB2 CYS 26 3.906 -12.625 -6.090 188 HB3 CYS 26 HB1 CYS 26 3.246 -12.383 -4.447 189 H GLY 27 H GLY 27 1.846 -9.945 -4.575 190 HA2 GLY 27 HA2 GLY 27 0.151 -9.035 -3.294 191 HA3 GLY 27 HA1 GLY 27 -0.680 -10.655 -3.276 192 H LEU 28 H LEU 28 2.785 -10.648 -2.861 193 HA LEU 28 HA LEU 28 2.513 -11.841 -0.320 194 HB2 LEU 28 HB2 LEU 28 4.952 -10.585 -1.716 195 HB3 LEU 28 HB1 LEU 28 5.041 -11.434 -0.128 196 HG LEU 28 HG LEU 28 3.993 -12.714 -2.703 197 HD11 LEU 28 HD11 LEU 28 6.444 -13.964 -1.985 198 HD12 LEU 28 HD12 LEU 28 6.761 -12.194 -1.836 199 HD13 LEU 28 HD13 LEU 28 6.143 -12.872 -3.389 200 HD21 LEU 28 HD21 LEU 28 3.063 -14.013 -0.988 201 HD22 LEU 28 HD22 LEU 28 4.437 -13.712 0.143 202 HD23 LEU 28 HD23 LEU 28 4.641 -14.852 -1.241 203 H CYS 29 H CYS 29 3.206 -8.525 -1.520 204 HA CYS 29 HA CYS 29 2.526 -7.586 1.137 205 HB2 CYS 29 HB2 CYS 29 5.003 -7.662 1.304 206 HB3 CYS 29 HB1 CYS 29 5.143 -6.874 -0.302 Start of MODEL 19 1 H1 CYS 1 HT1 CYS 1 4.658 -2.490 -0.085 2 H2 CYS 1 HT2 CYS 1 4.137 -1.822 -1.560 3 H3 CYS 1 HT3 CYS 1 5.346 -1.044 -0.655 4 HA CYS 1 HA CYS 1 6.951 -2.286 -1.471 5 HB2 CYS 1 HB2 CYS 1 5.045 -4.696 -1.472 6 HB3 CYS 1 HB1 CYS 1 6.827 -4.759 -1.689 7 H GLU 2 H GLU 2 7.543 -3.624 -3.584 8 HA GLU 2 HA GLU 2 5.459 -3.503 -5.554 9 HB2 GLU 2 HB3 GLU 2 6.632 -2.047 -7.146 10 HB3 GLU 2 HB2 GLU 2 6.396 -1.132 -5.613 11 HG2 GLU 2 HG2 GLU 2 8.769 -1.744 -4.914 12 HG3 GLU 2 HG1 GLU 2 8.995 -2.530 -6.526 13 H ASN 3 H ASN 3 6.438 -4.353 -7.742 14 HA ASN 3 HA ASN 3 8.043 -6.607 -6.971 15 HB2 ASN 3 HB2 ASN 3 8.026 -6.896 -9.656 16 HB3 ASN 3 HB1 ASN 3 6.574 -7.318 -8.683 17 HD21 ASN 3 HD21 ASN 3 4.813 -6.763 -9.881 18 HD22 ASN 3 HD22 ASN 3 4.570 -5.239 -10.666 19 H THR 4 H THR 4 10.178 -7.110 -8.032 20 HA THR 4 HA THR 4 11.592 -4.572 -8.439 21 HB THR 4 HB THR 4 13.681 -5.924 -8.145 22 HG1 THR 4 HG1 THR 4 12.616 -8.075 -7.063 23 HG21 THR 4 HG21 THR 4 12.442 -4.819 -6.200 24 HG22 THR 4 HG22 THR 4 13.420 -6.259 -5.729 25 HG23 THR 4 HG23 THR 4 11.628 -6.399 -5.892 26 H ILE 5 H ILE 5 9.989 -6.916 -10.232 27 HA ILE 5 HA ILE 5 11.770 -6.340 -12.481 28 HB ILE 5 HB ILE 5 11.288 -8.613 -13.417 29 HG12 ILE 5 HG12 ILE 5 10.214 -9.192 -10.583 30 HG13 ILE 5 HG11 ILE 5 9.176 -8.935 -12.029 31 HG21 ILE 5 HG21 ILE 5 13.373 -7.917 -12.012 32 HG22 ILE 5 HG22 ILE 5 13.041 -9.684 -12.160 33 HG23 ILE 5 HG23 ILE 5 12.610 -8.810 -10.642 34 HD11 ILE 5 HD11 ILE 5 11.354 -11.110 -11.883 35 HD12 ILE 5 HD12 ILE 5 10.069 -10.921 -13.134 36 HD13 ILE 5 HD13 ILE 5 9.626 -11.390 -11.449 37 H SER 6 H SER 6 10.558 -6.670 -14.639 38 HA SER 6 HA SER 6 7.774 -5.885 -14.149 39 HB2 SER 6 HB3 SER 6 9.412 -4.297 -15.514 40 HB3 SER 6 HB2 SER 6 9.236 -5.538 -16.819 41 HG SER 6 HG SER 6 7.632 -3.569 -16.253 42 H GLY 7 H GLY 7 6.424 -6.520 -16.383 43 HA2 GLY 7 HA2 GLY 7 5.651 -8.210 -17.642 44 HA3 GLY 7 HA1 GLY 7 7.287 -8.997 -17.494 45 H CYS 8 H CYS 8 5.274 -7.907 -14.759 46 HA CYS 8 HA CYS 8 5.462 -10.556 -13.687 47 HB2 CYS 8 HB2 CYS 8 4.092 -7.993 -12.704 48 HB3 CYS 8 HB1 CYS 8 3.968 -9.558 -11.833 49 H SER 9 H SER 9 3.665 -11.966 -13.212 50 HA SER 9 HA SER 9 1.174 -11.176 -14.501 51 HB2 SER 9 HB2 SER 9 2.577 -13.895 -14.913 52 HB3 SER 9 HB1 SER 9 0.905 -13.489 -15.475 53 HG SER 9 HG SER 9 2.866 -11.697 -16.207 54 H ARG 10 H ARG 10 -0.681 -12.579 -13.680 55 HA ARG 10 HA ARG 10 -0.345 -12.895 -10.879 56 HB2 ARG 10 HB3 ARG 10 -2.651 -13.688 -10.810 57 HB3 ARG 10 HB2 ARG 10 -2.580 -12.339 -11.994 58 HG2 ARG 10 HG2 ARG 10 -2.243 -14.162 -13.820 59 HG3 ARG 10 HG1 ARG 10 -2.725 -15.351 -12.560 60 HD2 ARG 10 HD3 ARG 10 -4.738 -14.768 -13.852 61 HD3 ARG 10 HD2 ARG 10 -4.889 -13.948 -12.233 62 HE ARG 10 HE ARG 10 -3.569 -12.235 -14.206 63 HH11 ARG 10 HH11 ARG 10 -6.674 -13.533 -13.040 64 HH12 ARG 10 HH12 ARG 10 -7.619 -12.191 -13.591 65 HH21 ARG 10 HH21 ARG 10 -4.859 -10.404 -14.957 66 HH22 ARG 10 HH22 ARG 10 -6.571 -10.385 -14.697 67 H ALA 11 H ALA 11 0.297 -14.875 -13.671 68 HA ALA 11 HA ALA 11 -0.036 -17.346 -12.252 69 HB1 ALA 11 HB1 ALA 11 1.008 -18.427 -14.243 70 HB2 ALA 11 HB2 ALA 11 1.478 -16.805 -14.882 71 HB3 ALA 11 HB3 ALA 11 -0.265 -17.269 -14.786 72 H ASP 12 H ASP 12 2.219 -14.768 -12.225 73 HA ASP 12 HA ASP 12 4.522 -16.458 -11.850 74 HB2 ASP 12 HB2 ASP 12 4.054 -13.593 -12.229 75 HB3 ASP 12 HB1 ASP 12 4.989 -13.838 -10.719 76 H CYS 13 H CYS 13 1.773 -15.457 -10.032 77 HA CYS 13 HA CYS 13 3.129 -15.386 -7.499 78 HB2 CYS 13 HB2 CYS 13 0.827 -14.240 -8.094 79 HB3 CYS 13 HB1 CYS 13 0.141 -15.885 -7.916 80 H LEU 14 H LEU 14 2.070 -17.770 -9.758 81 HA LEU 14 HA LEU 14 1.632 -19.745 -7.686 82 HB2 LEU 14 HB3 LEU 14 1.718 -19.972 -10.753 83 HB3 LEU 14 HB2 LEU 14 1.370 -21.342 -9.636 84 HG LEU 14 HG LEU 14 -0.274 -18.773 -9.573 85 HD11 LEU 14 HD11 LEU 14 -1.879 -20.624 -10.926 86 HD12 LEU 14 HD12 LEU 14 -0.260 -20.871 -11.680 87 HD13 LEU 14 HD13 LEU 14 -1.010 -19.229 -11.668 88 HD21 LEU 14 HD21 LEU 14 -0.768 -20.014 -7.632 89 HD22 LEU 14 HD22 LEU 14 -0.587 -21.604 -8.466 90 HD23 LEU 14 HD23 LEU 14 -2.040 -20.581 -8.781 91 H LEU 15 H LEU 15 4.284 -18.202 -9.085 92 HA LEU 15 HA LEU 15 5.867 -20.665 -8.944 93 HB2 LEU 15 HB2 LEU 15 6.529 -17.925 -10.176 94 HB3 LEU 15 HB1 LEU 15 7.695 -19.286 -10.041 95 HG LEU 15 HG LEU 15 5.036 -19.405 -11.559 96 HD11 LEU 15 HD11 LEU 15 7.842 -18.638 -12.431 97 HD12 LEU 15 HD12 LEU 15 6.243 -18.003 -12.968 98 HD13 LEU 15 HD13 LEU 15 6.825 -19.603 -13.564 99 HD21 LEU 15 HD21 LEU 15 6.325 -21.484 -12.606 100 HD22 LEU 15 HD22 LEU 15 5.486 -21.648 -11.016 101 HD23 LEU 15 HD23 LEU 15 7.277 -21.425 -11.075 102 H THR 16 H THR 16 7.511 -20.836 -7.377 103 HA THR 16 HA THR 16 7.368 -18.717 -5.379 104 HB THR 16 HB THR 16 8.899 -21.356 -5.215 105 HG1 THR 16 HG1 THR 16 6.592 -21.079 -3.782 106 HG21 THR 16 HG21 THR 16 8.375 -18.998 -3.423 107 HG22 THR 16 HG22 THR 16 9.736 -20.180 -3.415 108 HG23 THR 16 HG23 THR 16 8.158 -20.612 -2.651 109 H HIS 17 H HIS 17 9.262 -19.718 -8.088 110 HA HIS 17 HA HIS 17 11.666 -18.562 -6.898 111 HB2 HIS 17 HB2 HIS 17 11.262 -19.892 -9.643 112 HB3 HIS 17 HB1 HIS 17 12.837 -19.299 -8.992 113 HD2 HIS 17 HD2 HIS 17 13.273 -20.739 -6.229 114 HE1 HIS 17 HE1 HIS 17 11.767 -24.257 -8.026 115 HE2 HIS 17 HE2 HIS 17 13.082 -23.287 -6.077 116 H ARG 18 H ARG 18 8.891 -17.362 -8.191 117 HA ARG 18 HA ARG 18 10.411 -15.223 -9.485 118 HB2 ARG 18 HB2 ARG 18 7.841 -16.552 -10.478 119 HB3 ARG 18 HB1 ARG 18 8.333 -14.906 -10.993 120 HG2 ARG 18 HG2 ARG 18 10.263 -17.256 -11.284 121 HG3 ARG 18 HG1 ARG 18 8.965 -16.983 -12.496 122 HD2 ARG 18 HD2 ARG 18 10.982 -14.775 -11.686 123 HD3 ARG 18 HD1 ARG 18 11.237 -15.912 -13.084 124 HE ARG 18 HE ARG 18 8.610 -14.742 -13.298 125 HH11 ARG 18 HH11 ARG 18 12.079 -13.951 -13.479 126 HH12 ARG 18 HH12 ARG 18 11.882 -12.659 -14.615 127 HH21 ARG 18 HH21 ARG 18 8.343 -12.979 -14.847 128 HH22 ARG 18 HH22 ARG 18 9.725 -12.097 -15.403 129 H LYS 19 H LYS 19 8.294 -16.268 -7.019 130 HA LYS 19 HA LYS 19 6.564 -14.019 -7.028 131 HB2 LYS 19 HB3 LYS 19 5.808 -14.719 -4.849 132 HB3 LYS 19 HB2 LYS 19 6.128 -16.231 -5.763 133 HG2 LYS 19 HG2 LYS 19 8.394 -16.393 -4.691 134 HG3 LYS 19 HG1 LYS 19 8.036 -14.907 -3.744 135 HD2 LYS 19 HD2 LYS 19 5.973 -16.138 -2.838 136 HD3 LYS 19 HD1 LYS 19 6.615 -17.625 -3.599 137 HE2 LYS 19 HE3 LYS 19 8.709 -17.431 -2.230 138 HE3 LYS 19 HE2 LYS 19 8.067 -15.918 -1.464 139 HZ1 LYS 19 HZ1 LYS 19 7.707 -18.447 -0.577 140 HZ2 LYS 19 HZ2 LYS 19 6.236 -18.134 -1.366 141 HZ3 LYS 19 HZ3 LYS 19 6.779 -17.093 -0.139 142 H GLN 20 H GLN 20 9.888 -14.649 -6.053 143 HA GLN 20 HA GLN 20 10.002 -12.576 -4.125 144 HB2 GLN 20 HB2 GLN 20 12.196 -13.890 -5.831 145 HB3 GLN 20 HB1 GLN 20 12.528 -12.650 -4.568 146 HG2 GLN 20 HG3 GLN 20 11.667 -14.117 -2.784 147 HG3 GLN 20 HG2 GLN 20 11.102 -15.330 -4.005 148 HE21 GLN 20 HE21 GLN 20 13.102 -15.680 -1.816 149 HE22 GLN 20 HE22 GLN 20 14.577 -16.164 -2.579 150 H GLY 21 H GLY 21 10.607 -12.836 -7.686 151 HA2 GLY 21 HA2 GLY 21 11.478 -10.123 -7.831 152 HA3 GLY 21 HA1 GLY 21 11.008 -11.228 -9.199 153 H CYS 22 H CYS 22 8.406 -11.942 -8.489 154 HA CYS 22 HA CYS 22 7.118 -9.306 -8.650 155 HB2 CYS 22 HB2 CYS 22 6.146 -12.054 -9.616 156 HB3 CYS 22 HB1 CYS 22 5.170 -10.550 -9.660 157 H GLN 23 H GLN 23 6.985 -8.984 -6.366 158 HA GLN 23 HA GLN 23 5.496 -11.080 -4.983 159 HB2 GLN 23 HB2 GLN 23 6.358 -10.284 -2.944 160 HB3 GLN 23 HB1 GLN 23 7.719 -9.938 -4.051 161 HG2 GLN 23 HG2 GLN 23 6.588 -7.568 -4.371 162 HG3 GLN 23 HG1 GLN 23 5.681 -7.984 -2.865 163 HE21 GLN 23 HE21 GLN 23 8.937 -7.499 -4.284 164 HE22 GLN 23 HE22 GLN 23 9.769 -7.272 -2.787 165 H LYS 24 H LYS 24 5.364 -7.790 -6.275 166 HA LYS 24 HA LYS 24 3.130 -6.996 -4.714 167 HB2 LYS 24 HB2 LYS 24 4.606 -5.325 -5.911 168 HB3 LYS 24 HB1 LYS 24 4.019 -5.989 -7.475 169 HG2 LYS 24 HG2 LYS 24 1.682 -5.325 -6.892 170 HG3 LYS 24 HG1 LYS 24 2.260 -4.664 -5.324 171 HD2 LYS 24 HD2 LYS 24 3.725 -3.044 -6.568 172 HD3 LYS 24 HD1 LYS 24 3.109 -3.693 -8.125 173 HE2 LYS 24 HE3 LYS 24 1.350 -2.379 -5.944 174 HE3 LYS 24 HE2 LYS 24 1.940 -1.559 -7.450 175 HZ1 LYS 24 HZ1 LYS 24 0.842 -3.536 -8.614 176 HZ2 LYS 24 HZ2 LYS 24 -0.143 -2.306 -7.981 177 HZ3 LYS 24 HZ3 LYS 24 0.014 -3.779 -7.152 178 H THR 25 H THR 25 3.632 -8.669 -7.858 179 HA THR 25 HA THR 25 0.821 -8.532 -8.450 180 HB THR 25 HB THR 25 2.940 -8.898 -10.103 181 HG1 THR 25 HG1 THR 25 0.503 -8.824 -10.405 182 HG21 THR 25 HG21 THR 25 1.919 -11.768 -9.630 183 HG22 THR 25 HG22 THR 25 3.411 -11.126 -8.842 184 HG23 THR 25 HG23 THR 25 3.314 -11.231 -10.639 185 H CYS 26 H CYS 26 2.978 -10.516 -6.547 186 HA CYS 26 HA CYS 26 1.275 -12.811 -6.695 187 HB2 CYS 26 HB2 CYS 26 3.891 -12.629 -6.050 188 HB3 CYS 26 HB1 CYS 26 3.212 -12.362 -4.417 189 H GLY 27 H GLY 27 1.792 -9.935 -4.598 190 HA2 GLY 27 HA2 GLY 27 0.048 -9.025 -3.369 191 HA3 GLY 27 HA1 GLY 27 -0.732 -10.667 -3.301 192 H LEU 28 H LEU 28 2.698 -10.693 -2.895 193 HA LEU 28 HA LEU 28 2.428 -11.713 -0.283 194 HB2 LEU 28 HB2 LEU 28 4.881 -10.601 -1.774 195 HB3 LEU 28 HB1 LEU 28 4.966 -11.364 -0.143 196 HG LEU 28 HG LEU 28 3.848 -12.758 -2.629 197 HD11 LEU 28 HD11 LEU 28 6.246 -14.062 -1.983 198 HD12 LEU 28 HD12 LEU 28 6.661 -12.321 -1.756 199 HD13 LEU 28 HD13 LEU 28 6.005 -12.894 -3.337 200 HD21 LEU 28 HD21 LEU 28 4.299 -13.592 0.264 201 HD22 LEU 28 HD22 LEU 28 4.509 -14.820 -1.041 202 HD23 LEU 28 HD23 LEU 28 2.931 -13.964 -0.852 203 H CYS 29 H CYS 29 3.201 -8.492 -1.686 204 HA CYS 29 HA CYS 29 2.494 -7.351 0.868 205 HB2 CYS 29 HB2 CYS 29 4.984 -7.638 1.130 206 HB3 CYS 29 HB1 CYS 29 5.218 -6.806 -0.445 Start of MODEL 20 1 H1 CYS 1 HT1 CYS 1 6.503 -0.759 -0.521 2 H2 CYS 1 HT2 CYS 1 4.986 -1.456 -0.836 3 H3 CYS 1 HT3 CYS 1 5.765 -0.539 -2.037 4 HA CYS 1 HA CYS 1 7.629 -2.230 -1.837 5 HB2 CYS 1 HB2 CYS 1 6.612 -4.578 -1.313 6 HB3 CYS 1 HB1 CYS 1 7.002 -3.520 0.084 7 H GLU 2 H GLU 2 7.862 -2.519 -4.028 8 HA GLU 2 HA GLU 2 5.444 -3.405 -5.422 9 HB2 GLU 2 HB3 GLU 2 7.722 -1.595 -6.407 10 HB3 GLU 2 HB2 GLU 2 6.526 -2.369 -7.511 11 HG2 GLU 2 HG2 GLU 2 4.666 -1.146 -6.470 12 HG3 GLU 2 HG1 GLU 2 5.766 -0.477 -5.212 13 H ASN 3 H ASN 3 6.400 -4.306 -7.773 14 HA ASN 3 HA ASN 3 7.932 -6.564 -6.892 15 HB2 ASN 3 HB2 ASN 3 7.998 -6.890 -9.592 16 HB3 ASN 3 HB1 ASN 3 6.534 -7.310 -8.636 17 HD21 ASN 3 HD21 ASN 3 4.772 -6.756 -9.823 18 HD22 ASN 3 HD22 ASN 3 4.537 -5.246 -10.638 19 H THR 4 H THR 4 10.061 -7.190 -7.999 20 HA THR 4 HA THR 4 11.597 -4.712 -8.317 21 HB THR 4 HB THR 4 13.617 -6.159 -8.040 22 HG1 THR 4 HG1 THR 4 12.456 -8.307 -7.061 23 HG21 THR 4 HG21 THR 4 11.541 -6.682 -5.824 24 HG22 THR 4 HG22 THR 4 12.345 -5.086 -6.074 25 HG23 THR 4 HG23 THR 4 13.331 -6.537 -5.652 26 H ILE 5 H ILE 5 9.965 -7.057 -10.163 27 HA ILE 5 HA ILE 5 11.739 -6.409 -12.405 28 HB ILE 5 HB ILE 5 11.276 -8.651 -13.399 29 HG12 ILE 5 HG12 ILE 5 10.121 -9.302 -10.612 30 HG13 ILE 5 HG11 ILE 5 9.130 -9.013 -12.082 31 HG21 ILE 5 HG21 ILE 5 12.532 -8.937 -10.600 32 HG22 ILE 5 HG22 ILE 5 13.332 -8.017 -11.931 33 HG23 ILE 5 HG23 ILE 5 12.988 -9.776 -12.130 34 HD11 ILE 5 HD11 ILE 5 9.359 -11.421 -11.843 35 HD12 ILE 5 HD12 ILE 5 11.143 -11.296 -11.605 36 HD13 ILE 5 HD13 ILE 5 10.420 -10.932 -13.218 37 H SER 6 H SER 6 10.530 -6.684 -14.569 38 HA SER 6 HA SER 6 7.752 -5.891 -14.063 39 HB2 SER 6 HB3 SER 6 9.398 -4.293 -15.400 40 HB3 SER 6 HB2 SER 6 9.222 -5.513 -16.726 41 HG SER 6 HG SER 6 7.686 -3.573 -16.381 42 H GLY 7 H GLY 7 6.409 -6.468 -16.320 43 HA2 GLY 7 HA2 GLY 7 5.619 -8.130 -17.604 44 HA3 GLY 7 HA1 GLY 7 7.246 -8.938 -17.463 45 H CYS 8 H CYS 8 5.246 -7.867 -14.713 46 HA CYS 8 HA CYS 8 5.417 -10.510 -13.653 47 HB2 CYS 8 HB2 CYS 8 3.980 -7.969 -12.710 48 HB3 CYS 8 HB1 CYS 8 3.850 -9.538 -11.842 49 H SER 9 H SER 9 3.628 -11.946 -13.210 50 HA SER 9 HA SER 9 1.158 -11.204 -14.558 51 HB2 SER 9 HB2 SER 9 2.631 -13.885 -14.975 52 HB3 SER 9 HB1 SER 9 0.960 -13.513 -15.561 53 HG SER 9 HG SER 9 2.822 -11.632 -16.253 54 H ARG 10 H ARG 10 -0.676 -12.683 -13.804 55 HA ARG 10 HA ARG 10 -0.403 -13.007 -10.996 56 HB2 ARG 10 HB3 ARG 10 -2.687 -13.862 -10.993 57 HB3 ARG 10 HB2 ARG 10 -2.622 -12.503 -12.165 58 HG2 ARG 10 HG2 ARG 10 -2.190 -14.302 -13.995 59 HG3 ARG 10 HG1 ARG 10 -2.667 -15.513 -12.757 60 HD2 ARG 10 HD3 ARG 10 -4.667 -14.985 -14.089 61 HD3 ARG 10 HD2 ARG 10 -4.879 -14.170 -12.475 62 HE ARG 10 HE ARG 10 -3.557 -12.399 -14.379 63 HH11 ARG 10 HH11 ARG 10 -6.666 -13.860 -13.428 64 HH12 ARG 10 HH12 ARG 10 -7.637 -12.562 -14.036 65 HH21 ARG 10 HH21 ARG 10 -4.887 -10.628 -15.206 66 HH22 ARG 10 HH22 ARG 10 -6.611 -10.697 -15.062 67 H ALA 11 H ALA 11 0.364 -14.953 -13.784 68 HA ALA 11 HA ALA 11 0.067 -17.440 -12.378 69 HB1 ALA 11 HB1 ALA 11 1.605 -16.861 -14.984 70 HB2 ALA 11 HB2 ALA 11 -0.130 -17.354 -14.917 71 HB3 ALA 11 HB3 ALA 11 1.153 -18.492 -14.357 72 H ASP 12 H ASP 12 2.251 -14.810 -12.298 73 HA ASP 12 HA ASP 12 4.590 -16.450 -11.899 74 HB2 ASP 12 HB2 ASP 12 4.064 -13.599 -12.301 75 HB3 ASP 12 HB1 ASP 12 4.989 -13.816 -10.778 76 H CYS 13 H CYS 13 1.795 -15.508 -10.119 77 HA CYS 13 HA CYS 13 3.135 -15.410 -7.570 78 HB2 CYS 13 HB2 CYS 13 0.851 -14.250 -8.162 79 HB3 CYS 13 HB1 CYS 13 0.150 -15.893 -8.031 80 H LEU 14 H LEU 14 2.119 -17.792 -9.836 81 HA LEU 14 HA LEU 14 1.659 -19.765 -7.764 82 HB2 LEU 14 HB3 LEU 14 1.749 -19.992 -10.831 83 HB3 LEU 14 HB2 LEU 14 1.398 -21.361 -9.715 84 HG LEU 14 HG LEU 14 -0.244 -18.789 -9.661 85 HD11 LEU 14 HD11 LEU 14 -1.068 -19.249 -11.712 86 HD12 LEU 14 HD12 LEU 14 -1.803 -20.739 -11.008 87 HD13 LEU 14 HD13 LEU 14 -0.184 -20.819 -11.797 88 HD21 LEU 14 HD21 LEU 14 -0.730 -20.030 -7.712 89 HD22 LEU 14 HD22 LEU 14 -0.571 -21.621 -8.549 90 HD23 LEU 14 HD23 LEU 14 -2.014 -20.581 -8.854 91 H LEU 15 H LEU 15 4.317 -18.201 -9.042 92 HA LEU 15 HA LEU 15 5.899 -20.669 -8.990 93 HB2 LEU 15 HB2 LEU 15 6.538 -17.888 -10.132 94 HB3 LEU 15 HB1 LEU 15 7.744 -19.213 -9.991 95 HG LEU 15 HG LEU 15 5.125 -19.418 -11.565 96 HD11 LEU 15 HD11 LEU 15 6.754 -17.704 -12.510 97 HD12 LEU 15 HD12 LEU 15 6.397 -19.085 -13.614 98 HD13 LEU 15 HD13 LEU 15 7.958 -19.032 -12.709 99 HD21 LEU 15 HD21 LEU 15 7.470 -21.315 -11.093 100 HD22 LEU 15 HD22 LEU 15 6.559 -21.384 -12.649 101 HD23 LEU 15 HD23 LEU 15 5.695 -21.645 -11.086 102 H THR 16 H THR 16 7.618 -20.849 -7.473 103 HA THR 16 HA THR 16 7.406 -18.850 -5.357 104 HB THR 16 HB THR 16 9.073 -21.406 -5.305 105 HG1 THR 16 HG1 THR 16 6.674 -21.371 -3.984 106 HG21 THR 16 HG21 THR 16 8.525 -21.066 -2.773 107 HG22 THR 16 HG22 THR 16 7.977 -19.412 -3.240 108 HG23 THR 16 HG23 THR 16 9.687 -19.910 -3.525 109 H HIS 17 H HIS 17 9.327 -19.676 -8.118 110 HA HIS 17 HA HIS 17 11.680 -18.450 -6.886 111 HB2 HIS 17 HB2 HIS 17 11.318 -19.853 -9.599 112 HB3 HIS 17 HB1 HIS 17 12.854 -19.075 -9.059 113 HD2 HIS 17 HD2 HIS 17 12.020 -20.630 -5.857 114 HE1 HIS 17 HE1 HIS 17 13.485 -23.864 -8.154 115 HE2 HIS 17 HE2 HIS 17 12.920 -23.026 -5.820 116 H ARG 18 H ARG 18 8.874 -17.339 -8.163 117 HA ARG 18 HA ARG 18 10.313 -15.148 -9.465 118 HB2 ARG 18 HB2 ARG 18 7.699 -16.447 -10.399 119 HB3 ARG 18 HB1 ARG 18 8.302 -14.868 -10.995 120 HG2 ARG 18 HG2 ARG 18 10.005 -17.404 -11.182 121 HG3 ARG 18 HG1 ARG 18 8.785 -16.991 -12.433 122 HD2 ARG 18 HD2 ARG 18 11.014 -15.017 -11.582 123 HD3 ARG 18 HD1 ARG 18 11.193 -16.205 -12.949 124 HE ARG 18 HE ARG 18 8.726 -14.755 -13.291 125 HH11 ARG 18 HH11 ARG 18 12.265 -14.354 -13.333 126 HH12 ARG 18 HH12 ARG 18 12.261 -13.076 -14.500 127 HH21 ARG 18 HH21 ARG 18 8.722 -13.011 -14.884 128 HH22 ARG 18 HH22 ARG 18 10.215 -12.300 -15.396 129 H LYS 19 H LYS 19 8.284 -16.260 -6.963 130 HA LYS 19 HA LYS 19 6.486 -14.066 -6.929 131 HB2 LYS 19 HB3 LYS 19 5.828 -14.780 -4.711 132 HB3 LYS 19 HB2 LYS 19 6.127 -16.278 -5.659 133 HG2 LYS 19 HG2 LYS 19 8.439 -16.420 -4.685 134 HG3 LYS 19 HG1 LYS 19 8.096 -14.955 -3.701 135 HD2 LYS 19 HD2 LYS 19 6.149 -16.187 -2.661 136 HD3 LYS 19 HD1 LYS 19 6.635 -17.657 -3.560 137 HE2 LYS 19 HE3 LYS 19 8.858 -17.643 -2.393 138 HE3 LYS 19 HE2 LYS 19 8.370 -16.151 -1.486 139 HZ1 LYS 19 HZ1 LYS 19 7.955 -18.721 -0.726 140 HZ2 LYS 19 HZ2 LYS 19 6.433 -18.265 -1.327 141 HZ3 LYS 19 HZ3 LYS 19 7.172 -17.350 -0.103 142 H GLN 20 H GLN 20 9.843 -14.626 -5.980 143 HA GLN 20 HA GLN 20 9.928 -12.504 -4.101 144 HB2 GLN 20 HB2 GLN 20 12.141 -13.843 -5.765 145 HB3 GLN 20 HB1 GLN 20 12.457 -12.568 -4.534 146 HG2 GLN 20 HG3 GLN 20 11.615 -13.994 -2.713 147 HG3 GLN 20 HG2 GLN 20 11.050 -15.240 -3.898 148 HE21 GLN 20 HE21 GLN 20 13.081 -15.483 -1.700 149 HE22 GLN 20 HE22 GLN 20 14.546 -15.998 -2.461 150 H GLY 21 H GLY 21 10.529 -12.858 -7.654 151 HA2 GLY 21 HA2 GLY 21 11.415 -10.164 -7.896 152 HA3 GLY 21 HA1 GLY 21 10.884 -11.293 -9.220 153 H CYS 22 H CYS 22 8.292 -11.937 -8.425 154 HA CYS 22 HA CYS 22 7.052 -9.274 -8.565 155 HB2 CYS 22 HB2 CYS 22 6.009 -11.989 -9.550 156 HB3 CYS 22 HB1 CYS 22 5.069 -10.460 -9.569 157 H GLN 23 H GLN 23 6.970 -8.989 -6.272 158 HA GLN 23 HA GLN 23 5.500 -11.089 -4.884 159 HB2 GLN 23 HB2 GLN 23 6.350 -10.257 -2.848 160 HB3 GLN 23 HB1 GLN 23 7.707 -9.924 -3.964 161 HG2 GLN 23 HG2 GLN 23 6.569 -7.561 -4.314 162 HG3 GLN 23 HG1 GLN 23 5.668 -7.957 -2.797 163 HE21 GLN 23 HE21 GLN 23 8.963 -7.651 -4.233 164 HE22 GLN 23 HE22 GLN 23 9.784 -7.340 -2.745 165 H LYS 24 H LYS 24 5.304 -7.781 -6.145 166 HA LYS 24 HA LYS 24 3.044 -7.073 -4.577 167 HB2 LYS 24 HB2 LYS 24 4.492 -5.332 -5.703 168 HB3 LYS 24 HB1 LYS 24 3.948 -5.968 -7.296 169 HG2 LYS 24 HG2 LYS 24 1.585 -5.379 -6.733 170 HG3 LYS 24 HG1 LYS 24 2.120 -4.747 -5.138 171 HD2 LYS 24 HD2 LYS 24 3.539 -3.045 -6.294 172 HD3 LYS 24 HD1 LYS 24 3.018 -3.684 -7.890 173 HE2 LYS 24 HE3 LYS 24 0.640 -3.063 -7.366 174 HE3 LYS 24 HE2 LYS 24 1.164 -2.424 -5.751 175 HZ1 LYS 24 HZ1 LYS 24 2.542 -1.439 -8.141 176 HZ2 LYS 24 HZ2 LYS 24 2.138 -0.648 -6.693 177 HZ3 LYS 24 HZ3 LYS 24 0.948 -0.922 -7.874 178 H THR 25 H THR 25 3.614 -8.662 -7.750 179 HA THR 25 HA THR 25 0.815 -8.548 -8.390 180 HB THR 25 HB THR 25 3.033 -8.925 -9.970 181 HG1 THR 25 HG1 THR 25 0.463 -8.882 -10.234 182 HG21 THR 25 HG21 THR 25 3.309 -11.234 -8.825 183 HG22 THR 25 HG22 THR 25 3.230 -11.260 -10.626 184 HG23 THR 25 HG23 THR 25 1.784 -11.730 -9.654 185 H CYS 26 H CYS 26 2.964 -10.561 -6.495 186 HA CYS 26 HA CYS 26 1.262 -12.852 -6.708 187 HB2 CYS 26 HB2 CYS 26 3.874 -12.687 -6.035 188 HB3 CYS 26 HB1 CYS 26 3.180 -12.460 -4.402 189 H GLY 27 H GLY 27 1.737 -10.007 -4.566 190 HA2 GLY 27 HA2 GLY 27 -0.057 -9.141 -3.360 191 HA3 GLY 27 HA1 GLY 27 -0.767 -10.814 -3.264 192 H LEU 28 H LEU 28 2.645 -10.785 -2.890 193 HA LEU 28 HA LEU 28 2.416 -11.710 -0.238 194 HB2 LEU 28 HB2 LEU 28 4.844 -10.643 -1.798 195 HB3 LEU 28 HB1 LEU 28 4.953 -11.352 -0.147 196 HG LEU 28 HG LEU 28 3.814 -12.825 -2.577 197 HD11 LEU 28 HD11 LEU 28 5.969 -12.969 -3.292 198 HD12 LEU 28 HD12 LEU 28 6.211 -14.111 -1.916 199 HD13 LEU 28 HD13 LEU 28 6.633 -12.367 -1.726 200 HD21 LEU 28 HD21 LEU 28 4.307 -13.581 0.335 201 HD22 LEU 28 HD22 LEU 28 4.462 -14.841 -0.946 202 HD23 LEU 28 HD23 LEU 28 2.904 -13.954 -0.737 203 H CYS 29 H CYS 29 3.163 -8.537 -1.767 204 HA CYS 29 HA CYS 29 2.623 -7.351 0.838 205 HB2 CYS 29 HB2 CYS 29 5.185 -7.507 0.568 206 HB3 CYS 29 HB1 CYS 29 5.001 -6.494 -0.905
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