NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
612094 | 5gsf | 36016 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 CYS 1 HT1 CYS 1 -6.246 5.780 0.351 2 H2 CYS 1 HT2 CYS 1 -6.715 5.220 1.876 3 H3 CYS 1 HT3 CYS 1 -5.857 4.205 0.829 4 HA CYS 1 HA CYS 1 -3.928 5.602 0.962 5 HB2 CYS 1 HB2 CYS 1 -4.934 7.756 1.264 6 HB3 CYS 1 HB1 CYS 1 -5.716 7.255 2.757 7 H ILE 2 HN ILE 2 -2.671 4.158 1.881 8 HA ILE 2 HA ILE 2 -2.820 3.694 4.730 9 HB ILE 2 HB ILE 2 -2.476 1.148 4.280 10 HG12 ILE 2 HG12 ILE 2 -4.400 1.644 2.018 11 HG13 ILE 2 HG11 ILE 2 -2.669 1.590 1.719 12 HG21 ILE 2 HG21 ILE 2 -4.234 2.067 5.648 13 HG22 ILE 2 HG22 ILE 2 -4.900 0.798 4.621 14 HG23 ILE 2 HG23 ILE 2 -5.173 2.493 4.217 15 HD11 ILE 2 HD11 ILE 2 -4.296 -0.633 2.938 16 HD12 ILE 2 HD12 ILE 2 -2.569 -0.684 2.572 17 HD13 ILE 2 HD13 ILE 2 -3.743 -0.550 1.267 18 HA PRO 3 HA PRO 3 1.591 3.494 4.203 19 HB2 PRO 3 HB2 PRO 3 2.051 1.922 6.578 20 HB3 PRO 3 HB1 PRO 3 2.186 3.677 6.388 21 HG2 PRO 3 HG2 PRO 3 0.306 2.457 7.943 22 HG3 PRO 3 HG1 PRO 3 0.113 4.064 7.217 23 HD2 PRO 3 HD2 PRO 3 -0.967 1.434 6.285 24 HD3 PRO 3 HD1 PRO 3 -1.751 3.027 6.332 25 H ARG 4 HN ARG 4 3.524 2.051 4.297 26 HA ARG 4 HA ARG 4 3.325 -0.154 2.568 27 HB2 ARG 4 HB2 ARG 4 5.385 1.381 3.856 28 HB3 ARG 4 HB1 ARG 4 5.756 -0.326 4.024 29 HG2 ARG 4 HG2 ARG 4 6.838 0.295 2.066 30 HG3 ARG 4 HG1 ARG 4 5.358 -0.474 1.502 31 HD2 ARG 4 HD2 ARG 4 5.774 1.530 0.216 32 HD3 ARG 4 HD1 ARG 4 4.342 1.764 1.212 33 HE ARG 4 HE ARG 4 6.984 2.832 1.983 34 HH11 ARG 4 HH11 ARG 4 3.540 3.313 1.488 35 HH12 ARG 4 HH12 ARG 4 3.562 4.932 2.101 36 HH21 ARG 4 HH21 ARG 4 6.988 4.952 2.782 37 HH22 ARG 4 HH22 ARG 4 5.512 5.859 2.833 38 H GLY 5 HN GLY 5 2.800 -2.170 2.910 39 HA2 GLY 5 HA2 GLY 5 3.043 -4.271 3.995 40 HA3 GLY 5 HA1 GLY 5 3.359 -3.430 5.503 41 H GLY 6 HN GLY 6 0.729 -2.653 3.301 42 HA2 GLY 6 HA2 GLY 6 -1.170 -3.758 5.258 43 HA3 GLY 6 HA1 GLY 6 -1.357 -2.129 4.633 44 H ILE 7 HN ILE 7 -0.430 -5.036 2.863 45 HA ILE 7 HA ILE 7 -1.161 -5.985 0.942 46 HB ILE 7 HB ILE 7 -3.448 -6.927 1.014 47 HG12 ILE 7 HG12 ILE 7 -4.408 -6.483 3.557 48 HG13 ILE 7 HG11 ILE 7 -3.876 -4.877 3.072 49 HG21 ILE 7 HG21 ILE 7 -1.553 -7.992 2.171 50 HG22 ILE 7 HG22 ILE 7 -3.112 -8.359 2.909 51 HG23 ILE 7 HG23 ILE 7 -2.038 -7.178 3.658 52 HD11 ILE 7 HD11 ILE 7 -5.248 -5.106 1.023 53 HD12 ILE 7 HD12 ILE 7 -6.184 -5.140 2.517 54 HD13 ILE 7 HD13 ILE 7 -5.850 -6.639 1.652 55 H CYS 8 HN CYS 8 -1.388 -5.243 -1.059 56 HA CYS 8 HA CYS 8 -3.565 -3.397 -1.676 57 HB2 CYS 8 HB2 CYS 8 -1.791 -1.848 -1.256 58 HB3 CYS 8 HB1 CYS 8 -0.647 -2.817 -2.171 59 H LEU 9 HN LEU 9 -1.812 -6.126 -2.567 60 HA LEU 9 HA LEU 9 -2.856 -5.957 -5.328 61 HB2 LEU 9 HB2 LEU 9 -0.281 -6.027 -4.936 62 HB3 LEU 9 HB1 LEU 9 -0.546 -7.721 -4.587 63 HG LEU 9 HG LEU 9 -1.772 -7.664 -6.940 64 HD11 LEU 9 HD11 LEU 9 -0.726 -6.166 -8.509 65 HD12 LEU 9 HD12 LEU 9 0.280 -5.477 -7.236 66 HD13 LEU 9 HD13 LEU 9 -1.465 -5.225 -7.213 67 HD21 LEU 9 HD21 LEU 9 0.126 -9.079 -6.360 68 HD22 LEU 9 HD22 LEU 9 1.224 -7.720 -6.604 69 HD23 LEU 9 HD23 LEU 9 0.325 -8.383 -7.969 70 H VAL 10 HN VAL 10 -2.776 -7.708 -2.391 71 HA VAL 10 HA VAL 10 -3.759 -10.180 -3.526 72 HB VAL 10 HB VAL 10 -2.148 -10.307 -1.708 73 HG11 VAL 10 HG11 VAL 10 -2.916 -9.713 0.638 74 HG12 VAL 10 HG12 VAL 10 -4.166 -8.744 -0.139 75 HG13 VAL 10 HG13 VAL 10 -2.462 -8.382 -0.429 76 HG21 VAL 10 HG21 VAL 10 -4.864 -11.350 -0.914 77 HG22 VAL 10 HG22 VAL 10 -3.346 -11.833 -0.157 78 HG23 VAL 10 HG23 VAL 10 -3.631 -12.187 -1.860 79 H ALA 11 HN ALA 11 -5.049 -7.413 -1.835 80 HA ALA 11 HA ALA 11 -7.762 -8.448 -2.250 81 HB1 ALA 11 HB1 ALA 11 -7.522 -6.805 0.149 82 HB2 ALA 11 HB2 ALA 11 -6.655 -8.338 0.248 83 HB3 ALA 11 HB3 ALA 11 -8.386 -8.324 -0.096 84 H LEU 12 HN LEU 12 -5.781 -5.636 -1.552 85 HA LEU 12 HA LEU 12 -7.834 -3.799 -2.475 86 HB2 LEU 12 HB2 LEU 12 -5.481 -3.652 -0.794 87 HB3 LEU 12 HB1 LEU 12 -5.475 -2.372 -1.994 88 HG LEU 12 HG LEU 12 -7.993 -2.101 -1.086 89 HD11 LEU 12 HD11 LEU 12 -7.773 -3.914 0.538 90 HD12 LEU 12 HD12 LEU 12 -8.016 -2.360 1.336 91 HD13 LEU 12 HD13 LEU 12 -6.407 -3.083 1.283 92 HD21 LEU 12 HD21 LEU 12 -6.925 -0.419 0.556 93 HD22 LEU 12 HD22 LEU 12 -6.639 -0.225 -1.173 94 HD23 LEU 12 HD23 LEU 12 -5.399 -0.948 -0.151 95 H SER 13 HN SER 13 -6.737 -1.840 -3.799 96 HA SER 13 HA SER 13 -5.294 -3.007 -6.081 97 HB2 SER 13 HB2 SER 13 -7.564 -1.010 -6.200 98 HB3 SER 13 HB1 SER 13 -6.623 -1.564 -7.584 99 HG SER 13 HG SER 13 -8.331 -3.101 -5.925 100 H GLY 14 HN GLY 14 -5.595 -0.454 -3.813 101 HA2 GLY 14 HA2 GLY 14 -3.102 0.704 -4.674 102 HA3 GLY 14 HA1 GLY 14 -4.481 1.762 -4.924 103 H CYS 15 HN CYS 15 -2.285 2.348 -3.264 104 HA CYS 15 HA CYS 15 -3.564 2.387 -0.610 105 HB2 CYS 15 HB2 CYS 15 -0.648 2.126 -1.307 106 HB3 CYS 15 HB1 CYS 15 -1.215 2.470 0.315 107 H CYS 16 HN CYS 16 -1.315 4.136 0.359 108 HA CYS 16 HA CYS 16 -2.452 6.639 -0.529 109 HB2 CYS 16 HB2 CYS 16 -1.840 5.848 1.920 110 HB3 CYS 16 HB1 CYS 16 -0.293 6.575 1.501 111 H ASN 17 HN ASN 17 0.940 5.639 -0.005 112 HA ASN 17 HA ASN 17 1.685 6.993 -2.488 113 HB2 ASN 17 HB2 ASN 17 3.620 8.149 -1.256 114 HB3 ASN 17 HB1 ASN 17 2.015 8.837 -1.087 115 HD21 ASN 17 HD21 ASN 17 3.236 5.982 0.621 116 HD22 ASN 17 HD22 ASN 17 3.197 6.692 2.196 117 H SER 18 HN SER 18 3.264 6.083 -3.599 118 HA SER 18 HA SER 18 4.887 4.721 -4.342 119 HB2 SER 18 HB2 SER 18 5.935 4.972 -1.507 120 HB3 SER 18 HB1 SER 18 6.845 4.322 -2.871 121 HG SER 18 HG SER 18 7.068 6.288 -3.683 122 HA PRO 19 HA PRO 19 3.239 1.001 -2.266 123 HB2 PRO 19 HB2 PRO 19 0.632 0.803 -2.952 124 HB3 PRO 19 HB1 PRO 19 1.215 1.791 -1.596 125 HG2 PRO 19 HG2 PRO 19 0.073 2.670 -4.129 126 HG3 PRO 19 HG1 PRO 19 0.406 3.611 -2.664 127 HD2 PRO 19 HD2 PRO 19 2.042 3.322 -5.090 128 HD3 PRO 19 HD1 PRO 19 2.129 4.553 -3.809 129 H GLY 20 HN GLY 20 4.536 -0.272 -3.601 130 HA2 GLY 20 HA2 GLY 20 4.040 -0.877 -6.308 131 HA3 GLY 20 HA1 GLY 20 5.051 -1.816 -5.223 132 H CYS 21 HN CYS 21 2.686 -2.231 -3.366 133 HA CYS 21 HA CYS 21 1.145 -3.824 -2.911 134 HB2 CYS 21 HB2 CYS 21 0.226 -3.651 -5.795 135 HB3 CYS 21 HB1 CYS 21 -0.753 -3.922 -4.356 136 H ILE 22 HN ILE 22 1.927 -5.713 -2.465 137 HA ILE 22 HA ILE 22 2.518 -7.565 -4.672 138 HB ILE 22 HB ILE 22 3.931 -8.110 -2.124 139 HG12 ILE 22 HG12 ILE 22 4.903 -5.880 -3.946 140 HG13 ILE 22 HG11 ILE 22 4.164 -5.611 -2.375 141 HG21 ILE 22 HG21 ILE 22 4.165 -9.518 -4.111 142 HG22 ILE 22 HG22 ILE 22 5.707 -8.783 -3.678 143 HG23 ILE 22 HG23 ILE 22 4.772 -8.139 -5.027 144 HD11 ILE 22 HD11 ILE 22 6.552 -5.404 -2.200 145 HD12 ILE 22 HD12 ILE 22 6.784 -6.995 -2.921 146 HD13 ILE 22 HD13 ILE 22 6.038 -6.849 -1.333 147 H PHE 23 HN PHE 23 2.800 -9.919 -3.141 148 HA PHE 23 HA PHE 23 0.014 -10.388 -2.520 149 HB2 PHE 23 HB2 PHE 23 1.601 -11.920 -3.891 150 HB3 PHE 23 HB1 PHE 23 2.155 -12.485 -2.320 151 HD1 PHE 23 HD1 PHE 23 0.709 -13.796 -0.888 152 HD2 PHE 23 HD2 PHE 23 -0.622 -12.426 -4.691 153 HE1 PHE 23 HE1 PHE 23 -1.178 -15.371 -0.790 154 HE2 PHE 23 HE2 PHE 23 -2.512 -13.999 -4.600 155 HZ PHE 23 HZ PHE 23 -2.792 -15.474 -2.648 156 H GLY 24 HN GLY 24 -0.522 -9.544 -0.573 157 HA2 GLY 24 HA2 GLY 24 -0.960 -10.161 1.688 158 HA3 GLY 24 HA1 GLY 24 0.613 -10.917 1.757 159 H ILE 25 HN ILE 25 0.680 -7.729 0.387 160 HA ILE 25 HA ILE 25 0.782 -6.142 2.696 161 HB ILE 25 HB ILE 25 3.413 -5.706 2.438 162 HG12 ILE 25 HG12 ILE 25 4.586 -7.971 2.442 163 HG13 ILE 25 HG11 ILE 25 3.123 -8.613 1.703 164 HG21 ILE 25 HG21 ILE 25 2.447 -7.954 4.177 165 HG22 ILE 25 HG22 ILE 25 2.134 -6.253 4.510 166 HG23 ILE 25 HG23 ILE 25 3.791 -6.853 4.476 167 HD11 ILE 25 HD11 ILE 25 4.787 -8.108 0.026 168 HD12 ILE 25 HD12 ILE 25 4.864 -6.431 0.586 169 HD13 ILE 25 HD13 ILE 25 3.381 -7.050 -0.150 170 H CYS 26 HN CYS 26 0.861 -3.983 2.124 171 HA CYS 26 HA CYS 26 0.991 -3.361 -0.680 172 HB2 CYS 26 HB2 CYS 26 -0.691 -2.296 0.760 173 HB3 CYS 26 HB1 CYS 26 0.587 -1.558 1.718 174 H ALA 27 HN ALA 27 2.935 -3.293 -1.598 175 HA ALA 27 HA ALA 27 5.053 -2.709 -2.157 176 HB1 ALA 27 HB1 ALA 27 4.209 -0.417 -0.507 177 HB2 ALA 27 HB2 ALA 27 4.940 -0.453 -2.106 178 HB3 ALA 27 HB3 ALA 27 5.950 -0.624 -0.680 Start of MODEL 2 1 H1 CYS 1 HT1 CYS 1 -6.512 6.669 4.379 2 H2 CYS 1 HT2 CYS 1 -7.322 5.252 3.934 3 H3 CYS 1 HT3 CYS 1 -7.348 6.597 2.909 4 HA CYS 1 HA CYS 1 -5.832 4.919 2.089 5 HB2 CYS 1 HB2 CYS 1 -5.407 7.382 1.773 6 HB3 CYS 1 HB1 CYS 1 -4.315 7.310 3.152 7 H ILE 2 HN ILE 2 -3.777 3.829 2.335 8 HA ILE 2 HA ILE 2 -3.022 3.369 5.133 9 HB ILE 2 HB ILE 2 -2.413 0.970 4.229 10 HG12 ILE 2 HG12 ILE 2 -4.944 1.329 2.658 11 HG13 ILE 2 HG11 ILE 2 -3.421 1.777 1.906 12 HG21 ILE 2 HG21 ILE 2 -5.184 1.842 5.040 13 HG22 ILE 2 HG22 ILE 2 -3.853 1.412 6.113 14 HG23 ILE 2 HG23 ILE 2 -4.593 0.181 5.090 15 HD11 ILE 2 HD11 ILE 2 -2.598 -0.520 2.268 16 HD12 ILE 2 HD12 ILE 2 -4.046 -0.457 1.267 17 HD13 ILE 2 HD13 ILE 2 -4.167 -0.948 2.957 18 HA PRO 3 HA PRO 3 1.184 3.861 3.702 19 HB2 PRO 3 HB2 PRO 3 2.336 2.410 5.897 20 HB3 PRO 3 HB1 PRO 3 2.086 4.158 5.774 21 HG2 PRO 3 HG2 PRO 3 0.800 2.522 7.566 22 HG3 PRO 3 HG1 PRO 3 0.209 4.106 7.030 23 HD2 PRO 3 HD2 PRO 3 -0.593 1.380 6.097 24 HD3 PRO 3 HD1 PRO 3 -1.596 2.811 6.408 25 H ARG 4 HN ARG 4 3.300 1.958 4.531 26 HA ARG 4 HA ARG 4 2.975 -0.014 2.382 27 HB2 ARG 4 HB2 ARG 4 5.248 1.398 3.632 28 HB3 ARG 4 HB1 ARG 4 5.549 -0.295 3.271 29 HG2 ARG 4 HG2 ARG 4 6.263 0.671 1.328 30 HG3 ARG 4 HG1 ARG 4 4.579 0.367 0.916 31 HD2 ARG 4 HD2 ARG 4 5.201 2.586 0.207 32 HD3 ARG 4 HD1 ARG 4 4.037 2.699 1.521 33 HE ARG 4 HE ARG 4 6.937 3.046 1.947 34 HH11 ARG 4 HH11 ARG 4 3.639 4.157 2.438 35 HH12 ARG 4 HH12 ARG 4 4.113 5.455 3.482 36 HH21 ARG 4 HH21 ARG 4 7.530 4.752 3.315 37 HH22 ARG 4 HH22 ARG 4 6.312 5.791 3.976 38 H GLY 5 HN GLY 5 2.536 -2.034 2.786 39 HA2 GLY 5 HA2 GLY 5 3.019 -4.105 3.915 40 HA3 GLY 5 HA1 GLY 5 3.275 -3.195 5.391 41 H GLY 6 HN GLY 6 0.570 -2.596 3.234 42 HA2 GLY 6 HA2 GLY 6 -1.217 -3.875 5.194 43 HA3 GLY 6 HA1 GLY 6 -1.529 -2.248 4.615 44 H ILE 7 HN ILE 7 -0.547 -5.204 2.923 45 HA ILE 7 HA ILE 7 -1.243 -6.191 0.995 46 HB ILE 7 HB ILE 7 -3.568 -7.100 1.091 47 HG12 ILE 7 HG12 ILE 7 -4.397 -6.627 3.696 48 HG13 ILE 7 HG11 ILE 7 -3.911 -5.032 3.131 49 HG21 ILE 7 HG21 ILE 7 -1.692 -8.241 2.150 50 HG22 ILE 7 HG22 ILE 7 -3.201 -8.517 3.020 51 HG23 ILE 7 HG23 ILE 7 -2.014 -7.375 3.652 52 HD11 ILE 7 HD11 ILE 7 -5.371 -5.506 1.096 53 HD12 ILE 7 HD12 ILE 7 -6.177 -5.179 2.629 54 HD13 ILE 7 HD13 ILE 7 -6.034 -6.836 2.047 55 H CYS 8 HN CYS 8 -1.443 -5.465 -1.033 56 HA CYS 8 HA CYS 8 -3.689 -3.729 -1.700 57 HB2 CYS 8 HB2 CYS 8 -2.031 -2.070 -1.288 58 HB3 CYS 8 HB1 CYS 8 -0.800 -2.994 -2.135 59 H LEU 9 HN LEU 9 -1.525 -6.210 -2.667 60 HA LEU 9 HA LEU 9 -2.630 -6.137 -5.408 61 HB2 LEU 9 HB2 LEU 9 -0.062 -6.142 -4.943 62 HB3 LEU 9 HB1 LEU 9 -0.297 -7.844 -4.606 63 HG LEU 9 HG LEU 9 -1.457 -7.811 -6.991 64 HD11 LEU 9 HD11 LEU 9 -1.216 -5.372 -7.264 65 HD12 LEU 9 HD12 LEU 9 -0.387 -6.284 -8.526 66 HD13 LEU 9 HD13 LEU 9 0.537 -5.560 -7.211 67 HD21 LEU 9 HD21 LEU 9 0.689 -8.469 -7.964 68 HD22 LEU 9 HD22 LEU 9 0.456 -9.180 -6.367 69 HD23 LEU 9 HD23 LEU 9 1.529 -7.794 -6.568 70 H VAL 10 HN VAL 10 -2.909 -7.669 -2.471 71 HA VAL 10 HA VAL 10 -3.722 -10.233 -3.602 72 HB VAL 10 HB VAL 10 -2.103 -10.332 -1.780 73 HG11 VAL 10 HG11 VAL 10 -4.176 -8.898 -0.142 74 HG12 VAL 10 HG12 VAL 10 -2.544 -8.354 -0.548 75 HG13 VAL 10 HG13 VAL 10 -2.775 -9.724 0.540 76 HG21 VAL 10 HG21 VAL 10 -3.290 -11.876 -0.234 77 HG22 VAL 10 HG22 VAL 10 -3.549 -12.236 -1.940 78 HG23 VAL 10 HG23 VAL 10 -4.807 -11.423 -1.010 79 H ALA 11 HN ALA 11 -5.049 -7.392 -2.102 80 HA ALA 11 HA ALA 11 -7.746 -8.450 -2.481 81 HB1 ALA 11 HB1 ALA 11 -6.982 -8.778 -0.069 82 HB2 ALA 11 HB2 ALA 11 -8.533 -7.979 -0.328 83 HB3 ALA 11 HB3 ALA 11 -7.106 -7.024 0.071 84 H LEU 12 HN LEU 12 -5.836 -5.635 -1.583 85 HA LEU 12 HA LEU 12 -7.909 -3.782 -2.392 86 HB2 LEU 12 HB2 LEU 12 -5.644 -3.728 -0.671 87 HB3 LEU 12 HB1 LEU 12 -5.418 -2.478 -1.881 88 HG LEU 12 HG LEU 12 -8.086 -2.516 -0.626 89 HD11 LEU 12 HD11 LEU 12 -7.079 -1.235 1.351 90 HD12 LEU 12 HD12 LEU 12 -5.573 -2.053 0.936 91 HD13 LEU 12 HD13 LEU 12 -6.995 -2.996 1.377 92 HD21 LEU 12 HD21 LEU 12 -6.041 -0.360 -1.153 93 HD22 LEU 12 HD22 LEU 12 -7.704 -0.103 -0.621 94 HD23 LEU 12 HD23 LEU 12 -7.383 -0.794 -2.212 95 H SER 13 HN SER 13 -6.568 -1.685 -3.545 96 HA SER 13 HA SER 13 -5.446 -2.794 -6.022 97 HB2 SER 13 HB2 SER 13 -7.474 -0.562 -5.817 98 HB3 SER 13 HB1 SER 13 -6.686 -1.085 -7.306 99 HG SER 13 HG SER 13 -8.894 -2.013 -6.392 100 H GLY 14 HN GLY 14 -5.474 -0.206 -3.693 101 HA2 GLY 14 HA2 GLY 14 -2.817 0.578 -4.436 102 HA3 GLY 14 HA1 GLY 14 -4.010 1.782 -4.886 103 H CYS 15 HN CYS 15 -1.902 2.266 -3.137 104 HA CYS 15 HA CYS 15 -3.352 2.878 -0.655 105 HB2 CYS 15 HB2 CYS 15 -0.440 2.094 -0.655 106 HB3 CYS 15 HB1 CYS 15 -1.518 2.240 0.722 107 H CYS 16 HN CYS 16 -1.103 4.199 0.579 108 HA CYS 16 HA CYS 16 -1.181 6.733 -0.805 109 HB2 CYS 16 HB2 CYS 16 -0.154 5.761 1.829 110 HB3 CYS 16 HB1 CYS 16 0.450 7.291 1.204 111 H ASN 17 HN ASN 17 0.837 8.043 -1.064 112 HA ASN 17 HA ASN 17 2.633 8.428 -2.404 113 HB2 ASN 17 HB2 ASN 17 4.777 7.294 -1.488 114 HB3 ASN 17 HB1 ASN 17 3.883 8.386 -0.445 115 HD21 ASN 17 HD21 ASN 17 4.624 5.026 -1.107 116 HD22 ASN 17 HD22 ASN 17 4.191 4.430 0.452 117 H SER 18 HN SER 18 4.679 5.862 -2.416 118 HA SER 18 HA SER 18 3.637 4.872 -4.983 119 HB2 SER 18 HB2 SER 18 5.866 6.018 -5.008 120 HB3 SER 18 HB1 SER 18 6.483 4.741 -3.962 121 HG SER 18 HG SER 18 6.106 3.258 -5.597 122 HA PRO 19 HA PRO 19 3.386 1.117 -2.414 123 HB2 PRO 19 HB2 PRO 19 0.707 0.672 -2.664 124 HB3 PRO 19 HB1 PRO 19 1.414 1.752 -1.450 125 HG2 PRO 19 HG2 PRO 19 -0.207 2.431 -3.753 126 HG3 PRO 19 HG1 PRO 19 0.301 3.457 -2.401 127 HD2 PRO 19 HD2 PRO 19 1.456 3.235 -5.082 128 HD3 PRO 19 HD1 PRO 19 1.708 4.485 -3.847 129 H GLY 20 HN GLY 20 4.539 -0.069 -3.860 130 HA2 GLY 20 HA2 GLY 20 3.847 -0.872 -6.436 131 HA3 GLY 20 HA1 GLY 20 4.940 -1.752 -5.390 132 H CYS 21 HN CYS 21 2.685 -2.216 -3.389 133 HA CYS 21 HA CYS 21 1.185 -3.837 -2.854 134 HB2 CYS 21 HB2 CYS 21 0.233 -3.781 -5.735 135 HB3 CYS 21 HB1 CYS 21 -0.716 -4.108 -4.288 136 H ILE 22 HN ILE 22 1.921 -5.721 -2.372 137 HA ILE 22 HA ILE 22 2.641 -7.590 -4.525 138 HB ILE 22 HB ILE 22 3.990 -8.068 -1.933 139 HG12 ILE 22 HG12 ILE 22 4.949 -5.815 -3.735 140 HG13 ILE 22 HG11 ILE 22 4.170 -5.568 -2.179 141 HG21 ILE 22 HG21 ILE 22 4.329 -9.490 -3.884 142 HG22 ILE 22 HG22 ILE 22 5.835 -8.692 -3.434 143 HG23 ILE 22 HG23 ILE 22 4.904 -8.106 -4.812 144 HD11 ILE 22 HD11 ILE 22 6.819 -6.936 -2.637 145 HD12 ILE 22 HD12 ILE 22 6.043 -6.698 -1.074 146 HD13 ILE 22 HD13 ILE 22 6.578 -5.306 -2.011 147 H PHE 23 HN PHE 23 2.821 -9.946 -3.225 148 HA PHE 23 HA PHE 23 0.078 -10.445 -2.537 149 HB2 PHE 23 HB2 PHE 23 1.717 -11.923 -3.923 150 HB3 PHE 23 HB1 PHE 23 2.233 -12.524 -2.352 151 HD1 PHE 23 HD1 PHE 23 -0.480 -12.423 -4.795 152 HD2 PHE 23 HD2 PHE 23 0.755 -13.875 -0.990 153 HE1 PHE 23 HE1 PHE 23 -2.364 -14.006 -4.793 154 HE2 PHE 23 HE2 PHE 23 -1.126 -15.462 -0.980 155 HZ PHE 23 HZ PHE 23 -2.688 -15.529 -2.884 156 H GLY 24 HN GLY 24 -0.467 -9.629 -0.572 157 HA2 GLY 24 HA2 GLY 24 -0.891 -10.360 1.676 158 HA3 GLY 24 HA1 GLY 24 0.735 -10.997 1.737 159 H ILE 25 HN ILE 25 0.727 -7.828 0.393 160 HA ILE 25 HA ILE 25 0.619 -6.240 2.716 161 HB ILE 25 HB ILE 25 3.242 -5.689 2.563 162 HG12 ILE 25 HG12 ILE 25 4.505 -7.898 2.645 163 HG13 ILE 25 HG11 ILE 25 3.100 -8.613 1.857 164 HG21 ILE 25 HG21 ILE 25 2.091 -7.860 4.291 165 HG22 ILE 25 HG22 ILE 25 2.055 -6.126 4.613 166 HG23 ILE 25 HG23 ILE 25 3.593 -6.988 4.598 167 HD11 ILE 25 HD11 ILE 25 4.809 -8.044 0.239 168 HD12 ILE 25 HD12 ILE 25 4.777 -6.359 0.781 169 HD13 ILE 25 HD13 ILE 25 3.358 -7.064 -0.003 170 H CYS 26 HN CYS 26 0.658 -4.059 2.149 171 HA CYS 26 HA CYS 26 0.929 -3.473 -0.658 172 HB2 CYS 26 HB2 CYS 26 -0.890 -2.457 0.668 173 HB3 CYS 26 HB1 CYS 26 0.308 -1.613 1.648 174 H ALA 27 HN ALA 27 3.166 -3.978 -0.881 175 HA ALA 27 HA ALA 27 5.357 -3.493 -1.191 176 HB1 ALA 27 HB1 ALA 27 4.144 -0.845 -0.965 177 HB2 ALA 27 HB2 ALA 27 5.348 -1.447 -2.103 178 HB3 ALA 27 HB3 ALA 27 5.849 -0.877 -0.515 Start of MODEL 3 1 H1 CYS 1 HT1 CYS 1 -6.643 6.255 3.095 2 H2 CYS 1 HT2 CYS 1 -6.223 7.800 2.550 3 H3 CYS 1 HT3 CYS 1 -5.945 7.369 4.161 4 HA CYS 1 HA CYS 1 -4.636 6.163 1.798 5 HB2 CYS 1 HB2 CYS 1 -3.914 8.391 3.613 6 HB3 CYS 1 HB1 CYS 1 -2.624 7.264 3.210 7 H ILE 2 HN ILE 2 -3.570 4.305 2.140 8 HA ILE 2 HA ILE 2 -3.455 3.284 4.901 9 HB ILE 2 HB ILE 2 -3.088 1.261 2.787 10 HG12 ILE 2 HG12 ILE 2 -5.739 1.119 2.692 11 HG13 ILE 2 HG11 ILE 2 -5.625 2.855 2.960 12 HG21 ILE 2 HG21 ILE 2 -3.189 0.542 5.029 13 HG22 ILE 2 HG22 ILE 2 -4.689 0.024 4.265 14 HG23 ILE 2 HG23 ILE 2 -4.684 1.430 5.327 15 HD11 ILE 2 HD11 ILE 2 -5.795 2.483 0.623 16 HD12 ILE 2 HD12 ILE 2 -4.507 1.279 0.656 17 HD13 ILE 2 HD13 ILE 2 -4.137 2.978 0.964 18 HA PRO 3 HA PRO 3 1.014 3.483 4.526 19 HB2 PRO 3 HB2 PRO 3 1.124 1.410 6.633 20 HB3 PRO 3 HB1 PRO 3 1.747 3.070 6.655 21 HG2 PRO 3 HG2 PRO 3 -0.363 2.381 8.109 22 HG3 PRO 3 HG1 PRO 3 -0.258 3.969 7.319 23 HD2 PRO 3 HD2 PRO 3 -1.783 1.540 6.465 24 HD3 PRO 3 HD1 PRO 3 -2.285 3.243 6.480 25 H ARG 4 HN ARG 4 2.900 2.069 4.262 26 HA ARG 4 HA ARG 4 2.308 -0.201 2.530 27 HB2 ARG 4 HB2 ARG 4 4.681 1.597 2.917 28 HB3 ARG 4 HB1 ARG 4 4.874 0.039 2.123 29 HG2 ARG 4 HG2 ARG 4 3.952 0.781 0.223 30 HG3 ARG 4 HG1 ARG 4 2.626 1.554 1.077 31 HD2 ARG 4 HD2 ARG 4 3.818 3.243 -0.090 32 HD3 ARG 4 HD1 ARG 4 4.163 3.436 1.624 33 HE ARG 4 HE ARG 4 6.090 1.896 0.076 34 HH11 ARG 4 HH11 ARG 4 5.296 5.004 1.506 35 HH12 ARG 4 HH12 ARG 4 6.932 5.572 1.457 36 HH21 ARG 4 HH21 ARG 4 8.222 2.661 0.022 37 HH22 ARG 4 HH22 ARG 4 8.586 4.247 0.617 38 H GLY 5 HN GLY 5 2.641 -2.189 3.042 39 HA2 GLY 5 HA2 GLY 5 4.063 -3.900 4.083 40 HA3 GLY 5 HA1 GLY 5 4.165 -2.840 5.489 41 H GLY 6 HN GLY 6 1.193 -2.940 3.823 42 HA2 GLY 6 HA2 GLY 6 -0.022 -4.486 6.009 43 HA3 GLY 6 HA1 GLY 6 -0.826 -3.211 5.107 44 H ILE 7 HN ILE 7 -1.236 -3.612 2.801 45 HA ILE 7 HA ILE 7 -1.090 -6.049 1.473 46 HB ILE 7 HB ILE 7 -3.646 -6.649 1.544 47 HG12 ILE 7 HG12 ILE 7 -4.506 -6.620 3.967 48 HG13 ILE 7 HG11 ILE 7 -3.369 -5.319 4.250 49 HG21 ILE 7 HG21 ILE 7 -1.910 -7.549 3.821 50 HG22 ILE 7 HG22 ILE 7 -1.802 -8.141 2.164 51 HG23 ILE 7 HG23 ILE 7 -3.266 -8.420 3.106 52 HD11 ILE 7 HD11 ILE 7 -4.496 -4.020 2.461 53 HD12 ILE 7 HD12 ILE 7 -5.550 -4.417 3.817 54 HD13 ILE 7 HD13 ILE 7 -5.671 -5.326 2.311 55 H CYS 8 HN CYS 8 -1.781 -5.826 -0.633 56 HA CYS 8 HA CYS 8 -3.727 -3.833 -1.349 57 HB2 CYS 8 HB2 CYS 8 -1.819 -2.363 -1.169 58 HB3 CYS 8 HB1 CYS 8 -0.844 -3.454 -2.138 59 H LEU 9 HN LEU 9 -1.099 -5.648 -2.935 60 HA LEU 9 HA LEU 9 -2.595 -6.108 -5.325 61 HB2 LEU 9 HB2 LEU 9 0.008 -6.199 -4.838 62 HB3 LEU 9 HB1 LEU 9 -0.328 -7.896 -4.584 63 HG LEU 9 HG LEU 9 -1.499 -7.684 -6.946 64 HD11 LEU 9 HD11 LEU 9 0.575 -5.496 -7.040 65 HD12 LEU 9 HD12 LEU 9 -1.170 -5.271 -7.151 66 HD13 LEU 9 HD13 LEU 9 -0.311 -6.146 -8.419 67 HD21 LEU 9 HD21 LEU 9 1.487 -7.839 -6.555 68 HD22 LEU 9 HD22 LEU 9 0.606 -8.393 -7.979 69 HD23 LEU 9 HD23 LEU 9 0.347 -9.177 -6.420 70 H VAL 10 HN VAL 10 -2.989 -7.457 -2.344 71 HA VAL 10 HA VAL 10 -3.686 -10.120 -3.274 72 HB VAL 10 HB VAL 10 -2.317 -9.922 -1.248 73 HG11 VAL 10 HG11 VAL 10 -2.970 -7.885 -0.283 74 HG12 VAL 10 HG12 VAL 10 -3.422 -9.138 0.876 75 HG13 VAL 10 HG13 VAL 10 -4.655 -8.396 -0.143 76 HG21 VAL 10 HG21 VAL 10 -3.673 -11.354 0.282 77 HG22 VAL 10 HG22 VAL 10 -3.628 -11.917 -1.387 78 HG23 VAL 10 HG23 VAL 10 -5.060 -11.088 -0.775 79 H ALA 11 HN ALA 11 -5.228 -7.223 -2.038 80 HA ALA 11 HA ALA 11 -7.838 -8.303 -2.802 81 HB1 ALA 11 HB1 ALA 11 -7.625 -8.689 -0.389 82 HB2 ALA 11 HB2 ALA 11 -8.915 -7.549 -0.768 83 HB3 ALA 11 HB3 ALA 11 -7.371 -6.961 -0.149 84 H LEU 12 HN LEU 12 -5.971 -5.479 -1.893 85 HA LEU 12 HA LEU 12 -7.960 -3.620 -2.891 86 HB2 LEU 12 HB2 LEU 12 -5.898 -3.520 -1.002 87 HB3 LEU 12 HB1 LEU 12 -5.377 -2.449 -2.288 88 HG LEU 12 HG LEU 12 -8.130 -2.174 -1.119 89 HD11 LEU 12 HD11 LEU 12 -7.237 -0.566 0.496 90 HD12 LEU 12 HD12 LEU 12 -5.597 -0.998 0.012 91 HD13 LEU 12 HD13 LEU 12 -6.630 -2.196 0.789 92 HD21 LEU 12 HD21 LEU 12 -7.718 0.214 -1.711 93 HD22 LEU 12 HD22 LEU 12 -7.722 -0.877 -3.095 94 HD23 LEU 12 HD23 LEU 12 -6.194 -0.279 -2.447 95 H SER 13 HN SER 13 -6.482 -1.620 -4.076 96 HA SER 13 HA SER 13 -5.327 -2.890 -6.464 97 HB2 SER 13 HB2 SER 13 -7.125 -0.460 -6.382 98 HB3 SER 13 HB1 SER 13 -6.342 -1.095 -7.827 99 HG SER 13 HG SER 13 -8.246 -2.442 -6.210 100 H GLY 14 HN GLY 14 -5.239 -0.271 -4.192 101 HA2 GLY 14 HA2 GLY 14 -2.483 0.221 -4.544 102 HA3 GLY 14 HA1 GLY 14 -3.399 1.453 -5.400 103 H CYS 15 HN CYS 15 -1.631 1.545 -2.982 104 HA CYS 15 HA CYS 15 -3.555 2.569 -1.014 105 HB2 CYS 15 HB2 CYS 15 -0.645 2.087 -0.419 106 HB3 CYS 15 HB1 CYS 15 -1.999 2.130 0.694 107 H CYS 16 HN CYS 16 -1.407 4.099 0.363 108 HA CYS 16 HA CYS 16 -1.675 6.551 -1.142 109 HB2 CYS 16 HB2 CYS 16 -1.807 6.086 1.462 110 HB3 CYS 16 HB1 CYS 16 -0.073 6.368 1.371 111 H ASN 17 HN ASN 17 0.164 8.018 -1.455 112 HA ASN 17 HA ASN 17 2.003 8.511 -2.668 113 HB2 ASN 17 HB2 ASN 17 4.189 7.624 -1.457 114 HB3 ASN 17 HB1 ASN 17 3.187 8.882 -0.756 115 HD21 ASN 17 HD21 ASN 17 4.263 5.599 -0.506 116 HD22 ASN 17 HD22 ASN 17 3.626 5.296 1.068 117 H SER 18 HN SER 18 4.120 5.922 -2.025 118 HA SER 18 HA SER 18 3.699 4.888 -4.748 119 HB2 SER 18 HB2 SER 18 6.227 4.931 -3.084 120 HB3 SER 18 HB1 SER 18 6.088 4.256 -4.708 121 HG SER 18 HG SER 18 5.962 6.942 -3.880 122 HA PRO 19 HA PRO 19 2.908 1.148 -2.256 123 HB2 PRO 19 HB2 PRO 19 0.329 0.720 -3.092 124 HB3 PRO 19 HB1 PRO 19 0.766 1.750 -1.722 125 HG2 PRO 19 HG2 PRO 19 -0.370 2.535 -4.243 126 HG3 PRO 19 HG1 PRO 19 -0.033 3.533 -2.818 127 HD2 PRO 19 HD2 PRO 19 1.558 3.195 -5.277 128 HD3 PRO 19 HD1 PRO 19 1.588 4.508 -4.080 129 H GLY 20 HN GLY 20 4.378 -0.015 -3.512 130 HA2 GLY 20 HA2 GLY 20 4.092 -0.841 -6.169 131 HA3 GLY 20 HA1 GLY 20 5.040 -1.693 -4.963 132 H CYS 21 HN CYS 21 2.668 -2.206 -3.255 133 HA CYS 21 HA CYS 21 1.155 -3.832 -2.839 134 HB2 CYS 21 HB2 CYS 21 0.376 -3.541 -5.762 135 HB3 CYS 21 HB1 CYS 21 -0.630 -4.175 -4.463 136 H ILE 22 HN ILE 22 1.743 -5.728 -2.360 137 HA ILE 22 HA ILE 22 2.526 -7.616 -4.468 138 HB ILE 22 HB ILE 22 3.787 -8.062 -1.820 139 HG12 ILE 22 HG12 ILE 22 4.851 -5.907 -3.687 140 HG13 ILE 22 HG11 ILE 22 4.086 -5.596 -2.134 141 HG21 ILE 22 HG21 ILE 22 4.111 -9.582 -3.698 142 HG22 ILE 22 HG22 ILE 22 5.640 -8.829 -3.246 143 HG23 ILE 22 HG23 ILE 22 4.769 -8.265 -4.671 144 HD11 ILE 22 HD11 ILE 22 6.653 -7.134 -2.513 145 HD12 ILE 22 HD12 ILE 22 5.913 -6.679 -0.980 146 HD13 ILE 22 HD13 ILE 22 6.539 -5.435 -2.057 147 H PHE 23 HN PHE 23 2.331 -9.943 -3.624 148 HA PHE 23 HA PHE 23 -0.329 -10.291 -2.675 149 HB2 PHE 23 HB2 PHE 23 1.068 -11.763 -4.305 150 HB3 PHE 23 HB1 PHE 23 1.663 -12.535 -2.839 151 HD1 PHE 23 HD1 PHE 23 0.203 -13.892 -1.466 152 HD2 PHE 23 HD2 PHE 23 -1.225 -12.032 -5.017 153 HE1 PHE 23 HE1 PHE 23 -1.788 -15.339 -1.418 154 HE2 PHE 23 HE2 PHE 23 -3.219 -13.474 -4.976 155 HZ PHE 23 HZ PHE 23 -3.501 -15.130 -3.175 156 H GLY 24 HN GLY 24 -0.467 -9.405 -0.601 157 HA2 GLY 24 HA2 GLY 24 -0.778 -10.565 1.601 158 HA3 GLY 24 HA1 GLY 24 0.924 -10.954 1.494 159 H ILE 25 HN ILE 25 1.000 -7.908 0.333 160 HA ILE 25 HA ILE 25 0.539 -6.321 2.655 161 HB ILE 25 HB ILE 25 3.143 -5.717 2.783 162 HG12 ILE 25 HG12 ILE 25 4.474 -7.866 2.872 163 HG13 ILE 25 HG11 ILE 25 3.148 -8.640 2.009 164 HG21 ILE 25 HG21 ILE 25 1.886 -8.003 4.277 165 HG22 ILE 25 HG22 ILE 25 1.751 -6.289 4.672 166 HG23 ILE 25 HG23 ILE 25 3.314 -7.100 4.783 167 HD11 ILE 25 HD11 ILE 25 3.448 -6.995 0.189 168 HD12 ILE 25 HD12 ILE 25 4.847 -8.049 0.443 169 HD13 ILE 25 HD13 ILE 25 4.873 -6.382 1.034 170 H CYS 26 HN CYS 26 0.595 -4.117 2.130 171 HA CYS 26 HA CYS 26 0.901 -3.443 -0.630 172 HB2 CYS 26 HB2 CYS 26 -0.768 -2.370 0.890 173 HB3 CYS 26 HB1 CYS 26 0.561 -1.578 1.730 174 H ALA 27 HN ALA 27 2.987 -3.759 -1.295 175 HA ALA 27 HA ALA 27 5.151 -3.269 -1.780 176 HB1 ALA 27 HB1 ALA 27 5.970 -1.134 -1.567 177 HB2 ALA 27 HB2 ALA 27 5.271 -0.909 0.032 178 HB3 ALA 27 HB3 ALA 27 4.239 -0.829 -1.397 Start of MODEL 4 1 H1 CYS 1 HT1 CYS 1 -7.161 5.342 3.093 2 H2 CYS 1 HT2 CYS 1 -6.735 4.201 1.919 3 H3 CYS 1 HT3 CYS 1 -7.078 5.793 1.464 4 HA CYS 1 HA CYS 1 -4.710 5.373 1.435 5 HB2 CYS 1 HB2 CYS 1 -5.492 7.632 1.913 6 HB3 CYS 1 HB1 CYS 1 -5.653 7.245 3.622 7 H ILE 2 HN ILE 2 -3.421 3.808 2.066 8 HA ILE 2 HA ILE 2 -3.054 3.303 4.933 9 HB ILE 2 HB ILE 2 -2.677 0.890 3.298 10 HG12 ILE 2 HG12 ILE 2 -5.258 0.407 3.577 11 HG13 ILE 2 HG11 ILE 2 -5.397 2.159 3.483 12 HG21 ILE 2 HG21 ILE 2 -2.440 0.815 5.672 13 HG22 ILE 2 HG22 ILE 2 -3.853 -0.141 5.223 14 HG23 ILE 2 HG23 ILE 2 -4.060 1.472 5.906 15 HD11 ILE 2 HD11 ILE 2 -5.767 1.236 1.313 16 HD12 ILE 2 HD12 ILE 2 -4.267 0.313 1.390 17 HD13 ILE 2 HD13 ILE 2 -4.216 2.074 1.304 18 HA PRO 3 HA PRO 3 1.242 3.952 3.726 19 HB2 PRO 3 HB2 PRO 3 1.942 2.461 6.194 20 HB3 PRO 3 HB1 PRO 3 2.358 4.118 5.725 21 HG2 PRO 3 HG2 PRO 3 0.594 3.659 7.641 22 HG3 PRO 3 HG1 PRO 3 0.368 4.986 6.481 23 HD2 PRO 3 HD2 PRO 3 -0.938 2.294 6.539 24 HD3 PRO 3 HD1 PRO 3 -1.648 3.891 6.221 25 H ARG 4 HN ARG 4 3.400 2.470 4.063 26 HA ARG 4 HA ARG 4 2.987 0.153 2.368 27 HB2 ARG 4 HB2 ARG 4 5.231 1.898 3.124 28 HB3 ARG 4 HB1 ARG 4 5.671 0.203 2.988 29 HG2 ARG 4 HG2 ARG 4 6.093 1.026 0.867 30 HG3 ARG 4 HG1 ARG 4 4.497 0.303 0.693 31 HD2 ARG 4 HD2 ARG 4 4.649 2.479 -0.429 32 HD3 ARG 4 HD1 ARG 4 3.456 2.498 0.864 33 HE ARG 4 HE ARG 4 4.867 3.905 2.116 34 HH11 ARG 4 HH11 ARG 4 6.311 3.124 -0.989 35 HH12 ARG 4 HH12 ARG 4 7.470 4.409 -0.902 36 HH21 ARG 4 HH21 ARG 4 6.392 5.581 2.206 37 HH22 ARG 4 HH22 ARG 4 7.515 5.797 0.906 38 H GLY 5 HN GLY 5 3.170 -1.916 2.929 39 HA2 GLY 5 HA2 GLY 5 3.877 -3.734 4.300 40 HA3 GLY 5 HA1 GLY 5 4.049 -2.612 5.647 41 H GLY 6 HN GLY 6 1.312 -2.685 3.483 42 HA2 GLY 6 HA2 GLY 6 -0.404 -3.553 5.715 43 HA3 GLY 6 HA1 GLY 6 -0.894 -2.414 4.471 44 H ILE 7 HN ILE 7 -1.389 -3.156 2.389 45 HA ILE 7 HA ILE 7 -1.247 -5.734 1.362 46 HB ILE 7 HB ILE 7 -3.822 -6.285 1.470 47 HG12 ILE 7 HG12 ILE 7 -4.687 -5.985 3.878 48 HG13 ILE 7 HG11 ILE 7 -3.540 -4.669 4.013 49 HG21 ILE 7 HG21 ILE 7 -2.152 -6.967 3.865 50 HG22 ILE 7 HG22 ILE 7 -1.981 -7.709 2.276 51 HG23 ILE 7 HG23 ILE 7 -3.484 -7.898 3.180 52 HD11 ILE 7 HD11 ILE 7 -5.725 -3.818 3.478 53 HD12 ILE 7 HD12 ILE 7 -5.832 -4.880 2.074 54 HD13 ILE 7 HD13 ILE 7 -4.657 -3.567 2.097 55 H CYS 8 HN CYS 8 -1.863 -5.691 -0.785 56 HA CYS 8 HA CYS 8 -3.806 -3.768 -1.698 57 HB2 CYS 8 HB2 CYS 8 -1.844 -2.341 -1.629 58 HB3 CYS 8 HB1 CYS 8 -0.931 -3.519 -2.557 59 H LEU 9 HN LEU 9 -1.191 -5.688 -3.165 60 HA LEU 9 HA LEU 9 -2.735 -6.381 -5.461 61 HB2 LEU 9 HB2 LEU 9 -0.123 -6.353 -5.045 62 HB3 LEU 9 HB1 LEU 9 -0.392 -8.032 -4.634 63 HG LEU 9 HG LEU 9 -1.626 -8.074 -6.970 64 HD11 LEU 9 HD11 LEU 9 0.341 -5.811 -7.303 65 HD12 LEU 9 HD12 LEU 9 -1.415 -5.687 -7.411 66 HD13 LEU 9 HD13 LEU 9 -0.524 -6.629 -8.605 67 HD21 LEU 9 HD21 LEU 9 1.371 -8.078 -6.645 68 HD22 LEU 9 HD22 LEU 9 0.486 -8.781 -7.998 69 HD23 LEU 9 HD23 LEU 9 0.288 -9.443 -6.376 70 H VAL 10 HN VAL 10 -3.196 -7.413 -2.416 71 HA VAL 10 HA VAL 10 -3.825 -10.176 -3.106 72 HB VAL 10 HB VAL 10 -2.416 -9.854 -1.132 73 HG11 VAL 10 HG11 VAL 10 -4.707 -8.225 -0.066 74 HG12 VAL 10 HG12 VAL 10 -3.026 -7.735 -0.302 75 HG13 VAL 10 HG13 VAL 10 -3.439 -8.900 0.958 76 HG21 VAL 10 HG21 VAL 10 -5.158 -10.938 -0.500 77 HG22 VAL 10 HG22 VAL 10 -3.745 -11.151 0.532 78 HG23 VAL 10 HG23 VAL 10 -3.757 -11.833 -1.093 79 H ALA 11 HN ALA 11 -5.334 -7.208 -2.003 80 HA ALA 11 HA ALA 11 -7.960 -8.303 -2.679 81 HB1 ALA 11 HB1 ALA 11 -7.448 -6.881 -0.076 82 HB2 ALA 11 HB2 ALA 11 -7.703 -8.616 -0.256 83 HB3 ALA 11 HB3 ALA 11 -9.001 -7.489 -0.650 84 H LEU 12 HN LEU 12 -6.040 -5.472 -1.929 85 HA LEU 12 HA LEU 12 -8.056 -3.634 -2.926 86 HB2 LEU 12 HB2 LEU 12 -5.928 -3.477 -1.097 87 HB3 LEU 12 HB1 LEU 12 -5.480 -2.424 -2.424 88 HG LEU 12 HG LEU 12 -8.184 -2.176 -1.152 89 HD11 LEU 12 HD11 LEU 12 -5.632 -0.921 -0.161 90 HD12 LEU 12 HD12 LEU 12 -6.605 -2.118 0.691 91 HD13 LEU 12 HD13 LEU 12 -7.259 -0.510 0.383 92 HD21 LEU 12 HD21 LEU 12 -6.344 -0.246 -2.564 93 HD22 LEU 12 HD22 LEU 12 -7.897 0.179 -1.845 94 HD23 LEU 12 HD23 LEU 12 -7.832 -0.943 -3.203 95 H SER 13 HN SER 13 -6.493 -1.672 -4.136 96 HA SER 13 HA SER 13 -5.334 -2.968 -6.504 97 HB2 SER 13 HB2 SER 13 -7.703 -2.244 -6.940 98 HB3 SER 13 HB1 SER 13 -7.195 -0.585 -6.629 99 HG SER 13 HG SER 13 -5.750 -0.770 -8.382 100 H GLY 14 HN GLY 14 -5.268 -0.480 -4.152 101 HA2 GLY 14 HA2 GLY 14 -2.613 0.271 -4.684 102 HA3 GLY 14 HA1 GLY 14 -3.680 1.472 -5.396 103 H CYS 15 HN CYS 15 -1.835 0.945 -2.817 104 HA CYS 15 HA CYS 15 -3.650 2.043 -0.806 105 HB2 CYS 15 HB2 CYS 15 -0.762 1.241 -0.406 106 HB3 CYS 15 HB1 CYS 15 -2.000 1.432 0.824 107 H CYS 16 HN CYS 16 -1.765 3.482 0.755 108 HA CYS 16 HA CYS 16 -1.563 5.921 -0.815 109 HB2 CYS 16 HB2 CYS 16 -1.960 5.284 1.944 110 HB3 CYS 16 HB1 CYS 16 -0.533 6.303 1.806 111 H ASN 17 HN ASN 17 0.454 7.323 -0.441 112 HA ASN 17 HA ASN 17 2.673 7.735 -0.762 113 HB2 ASN 17 HB2 ASN 17 3.335 5.011 0.385 114 HB3 ASN 17 HB1 ASN 17 4.332 6.457 0.391 115 HD21 ASN 17 HD21 ASN 17 2.952 4.528 2.406 116 HD22 ASN 17 HD22 ASN 17 2.361 5.612 3.617 117 H SER 18 HN SER 18 4.404 5.051 -1.179 118 HA SER 18 HA SER 18 3.804 4.808 -4.054 119 HB2 SER 18 HB2 SER 18 6.044 5.797 -3.500 120 HB3 SER 18 HB1 SER 18 6.454 4.296 -2.673 121 HG SER 18 HG SER 18 7.192 3.855 -4.621 122 HA PRO 19 HA PRO 19 2.976 0.694 -2.276 123 HB2 PRO 19 HB2 PRO 19 0.395 0.427 -2.954 124 HB3 PRO 19 HB1 PRO 19 0.909 1.420 -1.577 125 HG2 PRO 19 HG2 PRO 19 -0.099 2.265 -4.215 126 HG3 PRO 19 HG1 PRO 19 -0.177 3.096 -2.651 127 HD2 PRO 19 HD2 PRO 19 1.700 3.531 -4.766 128 HD3 PRO 19 HD1 PRO 19 1.653 4.315 -3.175 129 H GLY 20 HN GLY 20 4.362 -0.292 -3.702 130 HA2 GLY 20 HA2 GLY 20 3.882 -0.781 -6.448 131 HA3 GLY 20 HA1 GLY 20 4.967 -1.715 -5.430 132 H CYS 21 HN CYS 21 2.529 -2.206 -3.628 133 HA CYS 21 HA CYS 21 1.017 -3.801 -3.196 134 HB2 CYS 21 HB2 CYS 21 0.347 -3.657 -6.154 135 HB3 CYS 21 HB1 CYS 21 -0.696 -4.277 -4.877 136 H ILE 22 HN ILE 22 1.611 -5.663 -2.576 137 HA ILE 22 HA ILE 22 2.425 -7.692 -4.536 138 HB ILE 22 HB ILE 22 3.655 -8.015 -1.865 139 HG12 ILE 22 HG12 ILE 22 4.707 -5.882 -3.760 140 HG13 ILE 22 HG11 ILE 22 3.967 -5.570 -2.195 141 HG21 ILE 22 HG21 ILE 22 4.026 -9.580 -3.692 142 HG22 ILE 22 HG22 ILE 22 5.540 -8.798 -3.243 143 HG23 ILE 22 HG23 ILE 22 4.681 -8.285 -4.695 144 HD11 ILE 22 HD11 ILE 22 5.841 -6.830 -1.140 145 HD12 ILE 22 HD12 ILE 22 6.336 -5.365 -1.981 146 HD13 ILE 22 HD13 ILE 22 6.597 -6.940 -2.728 147 H PHE 23 HN PHE 23 2.446 -9.948 -3.107 148 HA PHE 23 HA PHE 23 -0.322 -10.257 -2.402 149 HB2 PHE 23 HB2 PHE 23 1.220 -11.899 -3.702 150 HB3 PHE 23 HB1 PHE 23 1.729 -12.429 -2.103 151 HD1 PHE 23 HD1 PHE 23 -1.010 -12.345 -4.517 152 HD2 PHE 23 HD2 PHE 23 0.207 -13.623 -0.645 153 HE1 PHE 23 HE1 PHE 23 -2.967 -13.832 -4.397 154 HE2 PHE 23 HE2 PHE 23 -1.747 -15.114 -0.518 155 HZ PHE 23 HZ PHE 23 -3.337 -15.218 -2.396 156 H GLY 24 HN GLY 24 -0.572 -9.028 -0.493 157 HA2 GLY 24 HA2 GLY 24 -1.087 -9.767 1.813 158 HA3 GLY 24 HA1 GLY 24 0.556 -10.355 1.893 159 H ILE 25 HN ILE 25 0.906 -7.437 0.346 160 HA ILE 25 HA ILE 25 0.579 -5.589 2.508 161 HB ILE 25 HB ILE 25 3.231 -5.199 2.598 162 HG12 ILE 25 HG12 ILE 25 4.408 -7.393 2.849 163 HG13 ILE 25 HG11 ILE 25 2.999 -8.185 2.154 164 HG21 ILE 25 HG21 ILE 25 3.294 -6.430 4.705 165 HG22 ILE 25 HG22 ILE 25 1.782 -7.231 4.276 166 HG23 ILE 25 HG23 ILE 25 1.814 -5.486 4.531 167 HD11 ILE 25 HD11 ILE 25 4.667 -7.917 0.464 168 HD12 ILE 25 HD12 ILE 25 4.796 -6.188 0.811 169 HD13 ILE 25 HD13 ILE 25 3.309 -6.840 0.113 170 H CYS 26 HN CYS 26 0.857 -3.415 1.812 171 HA CYS 26 HA CYS 26 1.258 -2.997 -1.000 172 HB2 CYS 26 HB2 CYS 26 1.313 -0.714 0.945 173 HB3 CYS 26 HB1 CYS 26 0.616 -0.786 -0.664 174 H ALA 27 HN ALA 27 3.288 -3.418 -1.701 175 HA ALA 27 HA ALA 27 5.500 -3.191 -2.151 176 HB1 ALA 27 HB1 ALA 27 4.728 -0.624 -1.686 177 HB2 ALA 27 HB2 ALA 27 6.335 -1.104 -2.226 178 HB3 ALA 27 HB3 ALA 27 6.033 -0.814 -0.517 Start of MODEL 5 1 H1 CYS 1 HT1 CYS 1 -6.989 5.428 4.498 2 H2 CYS 1 HT2 CYS 1 -7.662 3.926 4.109 3 H3 CYS 1 HT3 CYS 1 -7.878 5.243 3.069 4 HA CYS 1 HA CYS 1 -6.231 3.720 2.202 5 HB2 CYS 1 HB2 CYS 1 -6.065 6.169 1.773 6 HB3 CYS 1 HB1 CYS 1 -4.999 6.314 3.165 7 H ILE 2 HN ILE 2 -4.090 2.824 2.369 8 HA ILE 2 HA ILE 2 -3.114 2.550 5.125 9 HB ILE 2 HB ILE 2 -2.338 0.168 4.171 10 HG12 ILE 2 HG12 ILE 2 -5.128 0.236 3.075 11 HG13 ILE 2 HG11 ILE 2 -3.809 0.797 2.054 12 HG21 ILE 2 HG21 ILE 2 -4.291 -0.771 5.403 13 HG22 ILE 2 HG22 ILE 2 -4.969 0.855 5.478 14 HG23 ILE 2 HG23 ILE 2 -3.436 0.501 6.275 15 HD11 ILE 2 HD11 ILE 2 -4.451 -1.589 1.737 16 HD12 ILE 2 HD12 ILE 2 -3.865 -1.911 3.366 17 HD13 ILE 2 HD13 ILE 2 -2.750 -1.334 2.122 18 HA PRO 3 HA PRO 3 0.824 3.609 3.242 19 HB2 PRO 3 HB2 PRO 3 2.181 2.813 5.697 20 HB3 PRO 3 HB1 PRO 3 1.890 4.447 5.079 21 HG2 PRO 3 HG2 PRO 3 0.711 3.492 7.310 22 HG3 PRO 3 HG1 PRO 3 -0.047 4.696 6.248 23 HD2 PRO 3 HD2 PRO 3 -0.527 1.743 6.388 24 HD3 PRO 3 HD1 PRO 3 -1.694 3.075 6.256 25 H ARG 4 HN ARG 4 3.202 2.190 4.460 26 HA ARG 4 HA ARG 4 3.182 -0.134 2.704 27 HB2 ARG 4 HB2 ARG 4 5.198 1.686 3.768 28 HB3 ARG 4 HB1 ARG 4 5.679 0.005 3.930 29 HG2 ARG 4 HG2 ARG 4 6.557 0.671 1.876 30 HG3 ARG 4 HG1 ARG 4 5.102 -0.226 1.456 31 HD2 ARG 4 HD2 ARG 4 5.144 1.725 0.090 32 HD3 ARG 4 HD1 ARG 4 3.899 1.979 1.312 33 HE ARG 4 HE ARG 4 5.319 3.545 2.386 34 HH11 ARG 4 HH11 ARG 4 6.686 2.376 -0.631 35 HH12 ARG 4 HH12 ARG 4 7.809 3.687 -0.763 36 HH21 ARG 4 HH21 ARG 4 6.798 5.253 2.192 37 HH22 ARG 4 HH22 ARG 4 7.872 5.314 0.835 38 H GLY 5 HN GLY 5 3.000 -2.138 3.366 39 HA2 GLY 5 HA2 GLY 5 3.458 -3.953 4.863 40 HA3 GLY 5 HA1 GLY 5 3.507 -2.800 6.193 41 H GLY 6 HN GLY 6 1.099 -3.029 3.640 42 HA2 GLY 6 HA2 GLY 6 -0.931 -3.704 5.673 43 HA3 GLY 6 HA1 GLY 6 -1.222 -2.593 4.344 44 H ILE 7 HN ILE 7 -1.642 -3.358 2.311 45 HA ILE 7 HA ILE 7 -1.371 -5.923 1.278 46 HB ILE 7 HB ILE 7 -3.937 -6.524 1.214 47 HG12 ILE 7 HG12 ILE 7 -4.948 -6.277 3.572 48 HG13 ILE 7 HG11 ILE 7 -3.844 -4.936 3.789 49 HG21 ILE 7 HG21 ILE 7 -3.667 -8.156 2.919 50 HG22 ILE 7 HG22 ILE 7 -2.404 -7.206 3.700 51 HG23 ILE 7 HG23 ILE 7 -2.116 -7.920 2.115 52 HD11 ILE 7 HD11 ILE 7 -4.872 -3.879 1.770 53 HD12 ILE 7 HD12 ILE 7 -5.967 -4.079 3.137 54 HD13 ILE 7 HD13 ILE 7 -6.055 -5.186 1.766 55 H CYS 8 HN CYS 8 -1.780 -5.805 -0.923 56 HA CYS 8 HA CYS 8 -3.700 -3.872 -1.892 57 HB2 CYS 8 HB2 CYS 8 -1.761 -2.450 -1.617 58 HB3 CYS 8 HB1 CYS 8 -0.775 -3.579 -2.541 59 H LEU 9 HN LEU 9 -1.007 -5.784 -3.230 60 HA LEU 9 HA LEU 9 -2.359 -6.325 -5.680 61 HB2 LEU 9 HB2 LEU 9 0.195 -6.427 -5.070 62 HB3 LEU 9 HB1 LEU 9 -0.166 -8.093 -4.675 63 HG LEU 9 HG LEU 9 -1.208 -8.106 -7.106 64 HD11 LEU 9 HD11 LEU 9 0.864 -5.921 -7.283 65 HD12 LEU 9 HD12 LEU 9 -0.871 -5.732 -7.535 66 HD13 LEU 9 HD13 LEU 9 0.079 -6.714 -8.649 67 HD21 LEU 9 HD21 LEU 9 0.603 -9.538 -6.344 68 HD22 LEU 9 HD22 LEU 9 1.753 -8.217 -6.546 69 HD23 LEU 9 HD23 LEU 9 0.946 -8.905 -7.954 70 H VAL 10 HN VAL 10 -2.976 -7.475 -2.672 71 HA VAL 10 HA VAL 10 -3.774 -10.143 -3.496 72 HB VAL 10 HB VAL 10 -2.488 -10.005 -1.438 73 HG11 VAL 10 HG11 VAL 10 -2.930 -7.834 -0.619 74 HG12 VAL 10 HG12 VAL 10 -3.493 -8.969 0.610 75 HG13 VAL 10 HG13 VAL 10 -4.654 -8.171 -0.450 76 HG21 VAL 10 HG21 VAL 10 -5.355 -10.796 -0.942 77 HG22 VAL 10 HG22 VAL 10 -4.007 -11.190 0.124 78 HG23 VAL 10 HG23 VAL 10 -4.044 -11.828 -1.519 79 H ALA 11 HN ALA 11 -5.182 -7.185 -2.171 80 HA ALA 11 HA ALA 11 -7.749 -7.865 -3.340 81 HB1 ALA 11 HB1 ALA 11 -9.041 -7.586 -1.316 82 HB2 ALA 11 HB2 ALA 11 -7.568 -7.294 -0.392 83 HB3 ALA 11 HB3 ALA 11 -7.861 -8.880 -1.106 84 H LEU 12 HN LEU 12 -5.926 -5.501 -1.467 85 HA LEU 12 HA LEU 12 -7.701 -3.364 -2.391 86 HB2 LEU 12 HB2 LEU 12 -6.922 -3.737 0.066 87 HB3 LEU 12 HB1 LEU 12 -5.441 -2.962 -0.460 88 HG LEU 12 HG LEU 12 -7.998 -1.544 -1.024 89 HD11 LEU 12 HD11 LEU 12 -7.990 -0.553 1.230 90 HD12 LEU 12 HD12 LEU 12 -6.759 -1.720 1.716 91 HD13 LEU 12 HD13 LEU 12 -8.365 -2.276 1.247 92 HD21 LEU 12 HD21 LEU 12 -5.248 -0.666 -0.148 93 HD22 LEU 12 HD22 LEU 12 -6.601 0.415 -0.479 94 HD23 LEU 12 HD23 LEU 12 -5.919 -0.567 -1.775 95 H SER 13 HN SER 13 -6.776 -3.628 -4.611 96 HA SER 13 HA SER 13 -4.093 -2.841 -5.143 97 HB2 SER 13 HB2 SER 13 -4.869 -2.708 -7.524 98 HB3 SER 13 HB1 SER 13 -5.241 -4.243 -6.740 99 HG SER 13 HG SER 13 -6.946 -2.192 -7.559 100 H GLY 14 HN GLY 14 -3.837 -0.910 -3.974 101 HA2 GLY 14 HA2 GLY 14 -3.581 1.438 -5.084 102 HA3 GLY 14 HA1 GLY 14 -5.327 1.448 -4.883 103 H CYS 15 HN CYS 15 -2.241 1.365 -3.187 104 HA CYS 15 HA CYS 15 -3.584 2.128 -0.687 105 HB2 CYS 15 HB2 CYS 15 -0.708 1.253 -1.007 106 HB3 CYS 15 HB1 CYS 15 -1.631 1.357 0.488 107 H CYS 16 HN CYS 16 -1.533 3.453 0.636 108 HA CYS 16 HA CYS 16 -1.647 6.051 -0.584 109 HB2 CYS 16 HB2 CYS 16 -0.648 4.952 2.010 110 HB3 CYS 16 HB1 CYS 16 -0.128 6.557 1.511 111 H ASN 17 HN ASN 17 0.289 7.476 -0.700 112 HA ASN 17 HA ASN 17 2.110 8.051 -1.935 113 HB2 ASN 17 HB2 ASN 17 4.283 7.010 -1.041 114 HB3 ASN 17 HB1 ASN 17 3.269 7.882 0.094 115 HD21 ASN 17 HD21 ASN 17 4.135 4.650 -1.024 116 HD22 ASN 17 HD22 ASN 17 3.797 3.852 0.467 117 H SER 18 HN SER 18 4.336 5.714 -2.150 118 HA SER 18 HA SER 18 3.357 4.769 -4.758 119 HB2 SER 18 HB2 SER 18 5.479 6.104 -4.726 120 HB3 SER 18 HB1 SER 18 6.211 4.833 -3.748 121 HG SER 18 HG SER 18 6.496 3.710 -5.495 122 HA PRO 19 HA PRO 19 3.435 0.895 -2.374 123 HB2 PRO 19 HB2 PRO 19 0.813 0.211 -2.674 124 HB3 PRO 19 HB1 PRO 19 1.399 1.304 -1.408 125 HG2 PRO 19 HG2 PRO 19 -0.246 1.916 -3.719 126 HG3 PRO 19 HG1 PRO 19 0.128 2.925 -2.311 127 HD2 PRO 19 HD2 PRO 19 1.343 2.960 -4.970 128 HD3 PRO 19 HD1 PRO 19 1.465 4.153 -3.660 129 H GLY 20 HN GLY 20 4.709 -0.134 -3.851 130 HA2 GLY 20 HA2 GLY 20 4.195 -0.923 -6.449 131 HA3 GLY 20 HA1 GLY 20 5.225 -1.821 -5.350 132 H CYS 21 HN CYS 21 2.793 -2.259 -3.559 133 HA CYS 21 HA CYS 21 1.234 -3.814 -3.126 134 HB2 CYS 21 HB2 CYS 21 0.621 -3.696 -6.094 135 HB3 CYS 21 HB1 CYS 21 -0.451 -4.306 -4.837 136 H ILE 22 HN ILE 22 1.689 -5.699 -2.488 137 HA ILE 22 HA ILE 22 2.547 -7.761 -4.389 138 HB ILE 22 HB ILE 22 3.681 -8.113 -1.695 139 HG12 ILE 22 HG12 ILE 22 4.844 -5.965 -3.501 140 HG13 ILE 22 HG11 ILE 22 4.025 -5.662 -1.974 141 HG21 ILE 22 HG21 ILE 22 5.598 -8.904 -3.009 142 HG22 ILE 22 HG22 ILE 22 4.814 -8.338 -4.483 143 HG23 ILE 22 HG23 ILE 22 4.087 -9.641 -3.545 144 HD11 ILE 22 HD11 ILE 22 5.858 -7.120 -0.929 145 HD12 ILE 22 HD12 ILE 22 6.293 -5.500 -1.468 146 HD13 ILE 22 HD13 ILE 22 6.714 -6.900 -2.453 147 H PHE 23 HN PHE 23 2.322 -10.012 -3.251 148 HA PHE 23 HA PHE 23 -0.407 -10.229 -2.465 149 HB2 PHE 23 HB2 PHE 23 1.069 -11.887 -3.821 150 HB3 PHE 23 HB1 PHE 23 1.556 -12.491 -2.242 151 HD1 PHE 23 HD1 PHE 23 -0.010 -13.676 -0.826 152 HD2 PHE 23 HD2 PHE 23 -1.179 -12.212 -4.647 153 HE1 PHE 23 HE1 PHE 23 -2.021 -15.091 -0.749 154 HE2 PHE 23 HE2 PHE 23 -3.193 -13.624 -4.576 155 HZ PHE 23 HZ PHE 23 -3.616 -15.066 -2.626 156 H GLY 24 HN GLY 24 -0.549 -9.011 -0.514 157 HA2 GLY 24 HA2 GLY 24 -1.074 -9.910 1.781 158 HA3 GLY 24 HA1 GLY 24 0.603 -10.399 1.824 159 H ILE 25 HN ILE 25 0.942 -7.505 0.361 160 HA ILE 25 HA ILE 25 0.454 -5.665 2.510 161 HB ILE 25 HB ILE 25 3.119 -5.238 2.672 162 HG12 ILE 25 HG12 ILE 25 4.307 -7.379 3.025 163 HG13 ILE 25 HG11 ILE 25 2.901 -8.252 2.431 164 HG21 ILE 25 HG21 ILE 25 1.579 -7.187 4.368 165 HG22 ILE 25 HG22 ILE 25 1.618 -5.434 4.552 166 HG23 ILE 25 HG23 ILE 25 3.078 -6.381 4.830 167 HD11 ILE 25 HD11 ILE 25 4.662 -6.382 0.876 168 HD12 ILE 25 HD12 ILE 25 3.167 -7.096 0.265 169 HD13 ILE 25 HD13 ILE 25 4.531 -8.135 0.694 170 H CYS 26 HN CYS 26 0.713 -3.487 1.846 171 HA CYS 26 HA CYS 26 1.183 -3.026 -0.946 172 HB2 CYS 26 HB2 CYS 26 1.056 -0.870 1.166 173 HB3 CYS 26 HB1 CYS 26 0.682 -0.733 -0.543 174 H ALA 27 HN ALA 27 3.171 -3.115 -1.778 175 HA ALA 27 HA ALA 27 5.367 -2.736 -2.211 176 HB1 ALA 27 HB1 ALA 27 5.473 -0.493 -2.245 177 HB2 ALA 27 HB2 ALA 27 6.282 -0.656 -0.686 178 HB3 ALA 27 HB3 ALA 27 4.550 -0.337 -0.753 Start of MODEL 6 1 H1 CYS 1 HT1 CYS 1 -6.291 6.440 0.753 2 H2 CYS 1 HT2 CYS 1 -6.675 5.965 2.330 3 H3 CYS 1 HT3 CYS 1 -6.281 4.799 1.170 4 HA CYS 1 HA CYS 1 -4.040 5.639 1.019 5 HB2 CYS 1 HB2 CYS 1 -5.234 7.789 2.616 6 HB3 CYS 1 HB1 CYS 1 -3.686 7.224 3.235 7 H ILE 2 HN ILE 2 -2.700 4.253 1.952 8 HA ILE 2 HA ILE 2 -3.053 3.493 4.739 9 HB ILE 2 HB ILE 2 -2.685 1.037 4.102 10 HG12 ILE 2 HG12 ILE 2 -3.998 0.594 1.847 11 HG13 ILE 2 HG11 ILE 2 -3.370 2.183 1.427 12 HG21 ILE 2 HG21 ILE 2 -4.731 1.850 5.091 13 HG22 ILE 2 HG22 ILE 2 -5.088 0.637 3.862 14 HG23 ILE 2 HG23 ILE 2 -5.326 2.347 3.508 15 HD11 ILE 2 HD11 ILE 2 -1.797 -0.283 2.124 16 HD12 ILE 2 HD12 ILE 2 -1.086 1.323 1.943 17 HD13 ILE 2 HD13 ILE 2 -1.877 0.551 0.575 18 HA PRO 3 HA PRO 3 1.405 3.444 4.610 19 HB2 PRO 3 HB2 PRO 3 1.727 1.537 6.745 20 HB3 PRO 3 HB1 PRO 3 1.774 3.304 6.848 21 HG2 PRO 3 HG2 PRO 3 -0.166 1.757 7.991 22 HG3 PRO 3 HG1 PRO 3 -0.379 3.457 7.531 23 HD2 PRO 3 HD2 PRO 3 -1.226 0.989 6.067 24 HD3 PRO 3 HD1 PRO 3 -2.096 2.520 6.304 25 H ARG 4 HN ARG 4 3.377 1.898 4.918 26 HA ARG 4 HA ARG 4 3.340 -0.062 2.801 27 HB2 ARG 4 HB2 ARG 4 5.198 1.646 3.514 28 HB3 ARG 4 HB1 ARG 4 5.640 0.418 4.686 29 HG2 ARG 4 HG2 ARG 4 6.843 -0.627 3.141 30 HG3 ARG 4 HG1 ARG 4 5.404 -0.837 2.148 31 HD2 ARG 4 HD2 ARG 4 7.011 0.313 0.822 32 HD3 ARG 4 HD1 ARG 4 5.772 1.482 1.270 33 HE ARG 4 HE ARG 4 8.140 1.395 2.960 34 HH11 ARG 4 HH11 ARG 4 6.496 3.001 0.304 35 HH12 ARG 4 HH12 ARG 4 7.441 4.447 0.445 36 HH21 ARG 4 HH21 ARG 4 9.361 3.296 3.126 37 HH22 ARG 4 HH22 ARG 4 9.061 4.612 2.041 38 H GLY 5 HN GLY 5 2.555 -2.014 3.138 39 HA2 GLY 5 HA2 GLY 5 3.031 -4.216 4.042 40 HA3 GLY 5 HA1 GLY 5 3.331 -3.456 5.593 41 H GLY 6 HN GLY 6 0.639 -2.717 3.427 42 HA2 GLY 6 HA2 GLY 6 -1.177 -3.968 5.377 43 HA3 GLY 6 HA1 GLY 6 -1.455 -2.335 4.801 44 H ILE 7 HN ILE 7 -0.646 -5.425 3.244 45 HA ILE 7 HA ILE 7 -1.356 -6.404 1.296 46 HB ILE 7 HB ILE 7 -3.761 -7.112 1.372 47 HG12 ILE 7 HG12 ILE 7 -4.281 -6.287 4.101 48 HG13 ILE 7 HG11 ILE 7 -4.130 -4.888 3.045 49 HG21 ILE 7 HG21 ILE 7 -3.506 -8.574 3.240 50 HG22 ILE 7 HG22 ILE 7 -2.342 -7.486 3.995 51 HG23 ILE 7 HG23 ILE 7 -1.923 -8.328 2.506 52 HD11 ILE 7 HD11 ILE 7 -5.830 -5.870 1.559 53 HD12 ILE 7 HD12 ILE 7 -6.431 -5.570 3.189 54 HD13 ILE 7 HD13 ILE 7 -6.011 -7.209 2.691 55 H CYS 8 HN CYS 8 -1.506 -5.750 -0.779 56 HA CYS 8 HA CYS 8 -3.580 -3.829 -1.490 57 HB2 CYS 8 HB2 CYS 8 -1.659 -2.424 -1.076 58 HB3 CYS 8 HB1 CYS 8 -0.666 -3.412 -2.132 59 H LEU 9 HN LEU 9 -0.900 -5.584 -3.064 60 HA LEU 9 HA LEU 9 -2.310 -5.838 -5.544 61 HB2 LEU 9 HB2 LEU 9 0.263 -5.960 -5.031 62 HB3 LEU 9 HB1 LEU 9 -0.060 -7.667 -4.817 63 HG LEU 9 HG LEU 9 -1.176 -7.430 -7.200 64 HD11 LEU 9 HD11 LEU 9 -0.912 -5.015 -7.370 65 HD12 LEU 9 HD12 LEU 9 0.028 -5.839 -8.616 66 HD13 LEU 9 HD13 LEU 9 0.835 -5.182 -7.192 67 HD21 LEU 9 HD21 LEU 9 0.689 -8.892 -6.669 68 HD22 LEU 9 HD22 LEU 9 1.803 -7.526 -6.741 69 HD23 LEU 9 HD23 LEU 9 0.972 -8.065 -8.200 70 H VAL 10 HN VAL 10 -2.769 -7.365 -2.666 71 HA VAL 10 HA VAL 10 -3.519 -9.947 -3.746 72 HB VAL 10 HB VAL 10 -2.258 -10.020 -1.701 73 HG11 VAL 10 HG11 VAL 10 -4.366 -8.242 -0.504 74 HG12 VAL 10 HG12 VAL 10 -2.659 -7.867 -0.763 75 HG13 VAL 10 HG13 VAL 10 -3.127 -9.087 0.425 76 HG21 VAL 10 HG21 VAL 10 -3.742 -11.298 -0.213 77 HG22 VAL 10 HG22 VAL 10 -3.910 -11.770 -1.904 78 HG23 VAL 10 HG23 VAL 10 -5.131 -10.746 -1.149 79 H ALA 11 HN ALA 11 -5.042 -7.209 -2.107 80 HA ALA 11 HA ALA 11 -7.576 -7.826 -3.382 81 HB1 ALA 11 HB1 ALA 11 -7.676 -9.105 -1.289 82 HB2 ALA 11 HB2 ALA 11 -8.890 -7.828 -1.350 83 HB3 ALA 11 HB3 ALA 11 -7.430 -7.611 -0.385 84 H LEU 12 HN LEU 12 -5.833 -5.674 -1.219 85 HA LEU 12 HA LEU 12 -7.646 -3.468 -1.831 86 HB2 LEU 12 HB2 LEU 12 -6.873 -4.060 0.519 87 HB3 LEU 12 HB1 LEU 12 -5.303 -3.432 0.062 88 HG LEU 12 HG LEU 12 -7.443 -1.529 -0.479 89 HD11 LEU 12 HD11 LEU 12 -8.485 -2.606 1.443 90 HD12 LEU 12 HD12 LEU 12 -7.915 -0.989 1.857 91 HD13 LEU 12 HD13 LEU 12 -7.000 -2.405 2.372 92 HD21 LEU 12 HD21 LEU 12 -4.956 -1.419 1.226 93 HD22 LEU 12 HD22 LEU 12 -5.931 -0.037 0.725 94 HD23 LEU 12 HD23 LEU 12 -5.057 -0.984 -0.481 95 H SER 13 HN SER 13 -6.701 -3.669 -4.135 96 HA SER 13 HA SER 13 -4.080 -2.605 -4.581 97 HB2 SER 13 HB2 SER 13 -4.787 -2.535 -6.984 98 HB3 SER 13 HB1 SER 13 -4.979 -4.116 -6.226 99 HG SER 13 HG SER 13 -6.911 -2.308 -7.100 100 H GLY 14 HN GLY 14 -3.755 -0.633 -3.805 101 HA2 GLY 14 HA2 GLY 14 -4.095 1.693 -4.992 102 HA3 GLY 14 HA1 GLY 14 -5.687 1.510 -4.268 103 H CYS 15 HN CYS 15 -2.243 1.739 -3.580 104 HA CYS 15 HA CYS 15 -2.676 2.115 -0.739 105 HB2 CYS 15 HB2 CYS 15 -0.184 2.108 -2.443 106 HB3 CYS 15 HB1 CYS 15 -0.171 2.359 -0.702 107 H CYS 16 HN CYS 16 -1.201 3.966 0.259 108 HA CYS 16 HA CYS 16 -2.423 6.413 -0.510 109 HB2 CYS 16 HB2 CYS 16 -1.771 5.721 1.838 110 HB3 CYS 16 HB1 CYS 16 -0.119 6.145 1.401 111 H ASN 17 HN ASN 17 0.884 5.250 -0.777 112 HA ASN 17 HA ASN 17 1.514 7.593 -2.442 113 HB2 ASN 17 HB2 ASN 17 3.966 6.979 -1.805 114 HB3 ASN 17 HB1 ASN 17 2.956 7.809 -0.632 115 HD21 ASN 17 HD21 ASN 17 3.911 4.538 -1.620 116 HD22 ASN 17 HD22 ASN 17 3.955 3.885 -0.022 117 H SER 18 HN SER 18 4.118 5.620 -2.761 118 HA SER 18 HA SER 18 3.046 4.116 -5.038 119 HB2 SER 18 HB2 SER 18 5.554 5.828 -5.097 120 HB3 SER 18 HB1 SER 18 5.022 4.756 -6.393 121 HG SER 18 HG SER 18 3.304 6.757 -5.417 122 HA PRO 19 HA PRO 19 5.781 1.649 -2.221 123 HB2 PRO 19 HB2 PRO 19 3.632 -0.093 -1.518 124 HB3 PRO 19 HB1 PRO 19 4.355 1.181 -0.528 125 HG2 PRO 19 HG2 PRO 19 1.772 1.194 -1.504 126 HG3 PRO 19 HG1 PRO 19 2.667 2.609 -0.918 127 HD2 PRO 19 HD2 PRO 19 2.215 1.687 -3.718 128 HD3 PRO 19 HD1 PRO 19 2.239 3.337 -3.054 129 H GLY 20 HN GLY 20 3.420 0.497 -4.630 130 HA2 GLY 20 HA2 GLY 20 4.396 -0.848 -6.440 131 HA3 GLY 20 HA1 GLY 20 5.300 -1.708 -5.207 132 H CYS 21 HN CYS 21 3.079 -2.045 -3.342 133 HA CYS 21 HA CYS 21 1.443 -3.525 -2.817 134 HB2 CYS 21 HB2 CYS 21 0.606 -3.141 -5.716 135 HB3 CYS 21 HB1 CYS 21 -0.381 -3.892 -4.468 136 H ILE 22 HN ILE 22 1.962 -5.474 -2.337 137 HA ILE 22 HA ILE 22 2.663 -7.388 -4.469 138 HB ILE 22 HB ILE 22 3.740 -8.087 -1.840 139 HG12 ILE 22 HG12 ILE 22 4.085 -5.543 -1.875 140 HG13 ILE 22 HG11 ILE 22 5.496 -6.535 -1.571 141 HG21 ILE 22 HG21 ILE 22 4.960 -7.961 -4.584 142 HG22 ILE 22 HG22 ILE 22 4.235 -9.365 -3.803 143 HG23 ILE 22 HG23 ILE 22 5.725 -8.672 -3.163 144 HD11 ILE 22 HD11 ILE 22 4.844 -4.852 -3.961 145 HD12 ILE 22 HD12 ILE 22 5.961 -6.211 -4.114 146 HD13 ILE 22 HD13 ILE 22 6.309 -4.905 -2.984 147 H PHE 23 HN PHE 23 2.350 -9.706 -3.671 148 HA PHE 23 HA PHE 23 -0.372 -9.977 -2.935 149 HB2 PHE 23 HB2 PHE 23 1.121 -11.487 -4.440 150 HB3 PHE 23 HB1 PHE 23 1.552 -12.282 -2.930 151 HD1 PHE 23 HD1 PHE 23 -0.072 -13.597 -1.709 152 HD2 PHE 23 HD2 PHE 23 -1.108 -11.669 -5.359 153 HE1 PHE 23 HE1 PHE 23 -2.107 -14.974 -1.855 154 HE2 PHE 23 HE2 PHE 23 -3.145 -13.041 -5.511 155 HZ PHE 23 HZ PHE 23 -3.646 -14.696 -3.757 156 H GLY 24 HN GLY 24 -0.647 -9.076 -0.869 157 HA2 GLY 24 HA2 GLY 24 -1.240 -10.127 1.290 158 HA3 GLY 24 HA1 GLY 24 0.380 -10.783 1.311 159 H ILE 25 HN ILE 25 0.674 -7.601 0.214 160 HA ILE 25 HA ILE 25 0.438 -6.105 2.589 161 HB ILE 25 HB ILE 25 3.091 -5.767 2.741 162 HG12 ILE 25 HG12 ILE 25 4.179 -8.056 2.839 163 HG13 ILE 25 HG11 ILE 25 2.808 -8.644 1.899 164 HG21 ILE 25 HG21 ILE 25 1.585 -7.898 4.225 165 HG22 ILE 25 HG22 ILE 25 1.663 -6.184 4.631 166 HG23 ILE 25 HG23 ILE 25 3.114 -7.181 4.732 167 HD11 ILE 25 HD11 ILE 25 3.336 -7.035 0.145 168 HD12 ILE 25 HD12 ILE 25 4.677 -8.149 0.450 169 HD13 ILE 25 HD13 ILE 25 4.739 -6.493 1.071 170 H CYS 26 HN CYS 26 0.685 -3.925 2.158 171 HA CYS 26 HA CYS 26 1.192 -3.126 -0.540 172 HB2 CYS 26 HB2 CYS 26 -0.481 -1.949 0.764 173 HB3 CYS 26 HB1 CYS 26 0.703 -1.540 1.995 174 H ALA 27 HN ALA 27 3.327 -3.906 -0.837 175 HA ALA 27 HA ALA 27 5.569 -3.737 -1.105 176 HB1 ALA 27 HB1 ALA 27 5.434 -1.460 -1.697 177 HB2 ALA 27 HB2 ALA 27 6.713 -1.556 -0.490 178 HB3 ALA 27 HB3 ALA 27 5.119 -0.959 -0.038 Start of MODEL 7 1 H1 CYS 1 HT1 CYS 1 -6.736 4.754 2.028 2 H2 CYS 1 HT2 CYS 1 -6.500 4.280 3.634 3 H3 CYS 1 HT3 CYS 1 -6.086 3.231 2.374 4 HA CYS 1 HA CYS 1 -4.365 4.720 1.631 5 HB2 CYS 1 HB2 CYS 1 -5.775 6.532 3.375 6 HB3 CYS 1 HB1 CYS 1 -4.081 6.446 3.844 7 H ILE 2 HN ILE 2 -2.733 3.388 2.015 8 HA ILE 2 HA ILE 2 -1.768 3.076 4.742 9 HB ILE 2 HB ILE 2 -1.323 0.608 4.326 10 HG12 ILE 2 HG12 ILE 2 -3.764 0.585 2.594 11 HG13 ILE 2 HG11 ILE 2 -2.203 0.889 1.840 12 HG21 ILE 2 HG21 ILE 2 -3.671 0.027 5.105 13 HG22 ILE 2 HG22 ILE 2 -4.056 1.731 4.880 14 HG23 ILE 2 HG23 ILE 2 -2.812 1.254 6.036 15 HD11 ILE 2 HD11 ILE 2 -2.852 -1.476 1.748 16 HD12 ILE 2 HD12 ILE 2 -2.882 -1.532 3.506 17 HD13 ILE 2 HD13 ILE 2 -1.359 -1.241 2.658 18 HA PRO 3 HA PRO 3 1.999 4.100 2.479 19 HB2 PRO 3 HB2 PRO 3 3.233 3.303 5.066 20 HB3 PRO 3 HB1 PRO 3 3.458 4.787 4.119 21 HG2 PRO 3 HG2 PRO 3 2.030 4.834 6.328 22 HG3 PRO 3 HG1 PRO 3 1.503 5.740 4.893 23 HD2 PRO 3 HD2 PRO 3 0.473 3.147 5.966 24 HD3 PRO 3 HD1 PRO 3 -0.410 4.517 5.263 25 H ARG 4 HN ARG 4 3.167 1.747 4.789 26 HA ARG 4 HA ARG 4 3.547 -0.323 2.761 27 HB2 ARG 4 HB2 ARG 4 5.542 1.320 2.821 28 HB3 ARG 4 HB1 ARG 4 5.896 0.652 4.404 29 HG2 ARG 4 HG2 ARG 4 5.616 -1.220 2.103 30 HG3 ARG 4 HG1 ARG 4 7.081 -0.251 2.237 31 HD2 ARG 4 HD2 ARG 4 6.042 -1.867 4.544 32 HD3 ARG 4 HD1 ARG 4 7.072 -2.583 3.306 33 HE ARG 4 HE ARG 4 8.185 -0.186 4.398 34 HH11 ARG 4 HH11 ARG 4 7.843 -3.629 5.002 35 HH12 ARG 4 HH12 ARG 4 9.258 -3.712 5.996 36 HH21 ARG 4 HH21 ARG 4 10.035 -0.318 5.702 37 HH22 ARG 4 HH22 ARG 4 10.497 -1.838 6.392 38 H GLY 5 HN GLY 5 2.966 -2.207 3.638 39 HA2 GLY 5 HA2 GLY 5 3.617 -3.881 5.355 40 HA3 GLY 5 HA1 GLY 5 3.434 -2.598 6.537 41 H GLY 6 HN GLY 6 1.112 -2.636 4.013 42 HA2 GLY 6 HA2 GLY 6 -0.865 -3.739 5.903 43 HA3 GLY 6 HA1 GLY 6 -1.218 -2.577 4.642 44 H ILE 7 HN ILE 7 -1.700 -3.245 2.621 45 HA ILE 7 HA ILE 7 -1.334 -5.760 1.465 46 HB ILE 7 HB ILE 7 -3.855 -6.475 1.438 47 HG12 ILE 7 HG12 ILE 7 -4.887 -6.295 3.786 48 HG13 ILE 7 HG11 ILE 7 -3.836 -4.918 4.039 49 HG21 ILE 7 HG21 ILE 7 -1.942 -7.766 2.356 50 HG22 ILE 7 HG22 ILE 7 -3.505 -8.120 3.088 51 HG23 ILE 7 HG23 ILE 7 -2.339 -7.111 3.944 52 HD11 ILE 7 HD11 ILE 7 -4.896 -3.838 2.059 53 HD12 ILE 7 HD12 ILE 7 -6.009 -4.155 3.388 54 HD13 ILE 7 HD13 ILE 7 -6.005 -5.207 1.972 55 H CYS 8 HN CYS 8 -1.959 -5.676 -0.711 56 HA CYS 8 HA CYS 8 -3.912 -3.735 -1.564 57 HB2 CYS 8 HB2 CYS 8 -1.994 -2.269 -1.391 58 HB3 CYS 8 HB1 CYS 8 -1.015 -3.393 -2.322 59 H LEU 9 HN LEU 9 -1.241 -5.544 -3.084 60 HA LEU 9 HA LEU 9 -2.722 -6.140 -5.440 61 HB2 LEU 9 HB2 LEU 9 -0.126 -6.160 -4.956 62 HB3 LEU 9 HB1 LEU 9 -0.421 -7.847 -4.602 63 HG LEU 9 HG LEU 9 -1.586 -7.813 -6.972 64 HD11 LEU 9 HD11 LEU 9 0.404 -5.557 -7.184 65 HD12 LEU 9 HD12 LEU 9 -1.347 -5.416 -7.338 66 HD13 LEU 9 HD13 LEU 9 -0.428 -6.330 -8.533 67 HD21 LEU 9 HD21 LEU 9 0.549 -8.507 -7.960 68 HD22 LEU 9 HD22 LEU 9 0.300 -9.213 -6.364 69 HD23 LEU 9 HD23 LEU 9 1.400 -7.850 -6.562 70 H VAL 10 HN VAL 10 -3.212 -7.323 -2.437 71 HA VAL 10 HA VAL 10 -3.913 -10.029 -3.274 72 HB VAL 10 HB VAL 10 -2.505 -9.962 -1.332 73 HG11 VAL 10 HG11 VAL 10 -4.539 -8.126 -0.087 74 HG12 VAL 10 HG12 VAL 10 -2.864 -7.754 -0.503 75 HG13 VAL 10 HG13 VAL 10 -3.220 -8.899 0.793 76 HG21 VAL 10 HG21 VAL 10 -3.858 -11.154 0.343 77 HG22 VAL 10 HG22 VAL 10 -4.149 -11.733 -1.297 78 HG23 VAL 10 HG23 VAL 10 -5.320 -10.671 -0.517 79 H ALA 11 HN ALA 11 -5.357 -7.048 -2.169 80 HA ALA 11 HA ALA 11 -8.014 -8.132 -2.741 81 HB1 ALA 11 HB1 ALA 11 -7.426 -6.605 -0.214 82 HB2 ALA 11 HB2 ALA 11 -7.696 -8.345 -0.309 83 HB3 ALA 11 HB3 ALA 11 -8.995 -7.227 -0.723 84 H LEU 12 HN LEU 12 -6.134 -5.269 -1.979 85 HA LEU 12 HA LEU 12 -8.093 -3.463 -3.130 86 HB2 LEU 12 HB2 LEU 12 -6.099 -3.283 -1.173 87 HB3 LEU 12 HB1 LEU 12 -5.518 -2.282 -2.486 88 HG LEU 12 HG LEU 12 -8.307 -1.916 -1.437 89 HD11 LEU 12 HD11 LEU 12 -6.889 -1.877 0.529 90 HD12 LEU 12 HD12 LEU 12 -7.438 -0.247 0.137 91 HD13 LEU 12 HD13 LEU 12 -5.793 -0.744 -0.260 92 HD21 LEU 12 HD21 LEU 12 -7.822 0.441 -2.109 93 HD22 LEU 12 HD22 LEU 12 -7.807 -0.708 -3.445 94 HD23 LEU 12 HD23 LEU 12 -6.286 -0.117 -2.773 95 H SER 13 HN SER 13 -6.547 -1.524 -4.319 96 HA SER 13 HA SER 13 -5.212 -2.853 -6.574 97 HB2 SER 13 HB2 SER 13 -7.127 -0.519 -6.740 98 HB3 SER 13 HB1 SER 13 -6.212 -1.182 -8.093 99 HG SER 13 HG SER 13 -7.316 -3.239 -7.484 100 H GLY 14 HN GLY 14 -5.552 -0.056 -4.539 101 HA2 GLY 14 HA2 GLY 14 -2.767 0.654 -4.971 102 HA3 GLY 14 HA1 GLY 14 -3.947 1.875 -5.424 103 H CYS 15 HN CYS 15 -1.851 1.817 -3.324 104 HA CYS 15 HA CYS 15 -3.459 2.003 -0.884 105 HB2 CYS 15 HB2 CYS 15 -0.498 1.800 -1.386 106 HB3 CYS 15 HB1 CYS 15 -1.150 2.188 0.199 107 H CYS 16 HN CYS 16 -1.639 3.828 0.477 108 HA CYS 16 HA CYS 16 -2.830 6.290 -0.316 109 HB2 CYS 16 HB2 CYS 16 -2.010 5.405 2.044 110 HB3 CYS 16 HB1 CYS 16 -0.546 6.271 1.587 111 H ASN 17 HN ASN 17 0.456 5.073 -0.452 112 HA ASN 17 HA ASN 17 1.218 7.361 -2.144 113 HB2 ASN 17 HB2 ASN 17 3.608 6.703 -1.469 114 HB3 ASN 17 HB1 ASN 17 2.599 7.420 -0.223 115 HD21 ASN 17 HD21 ASN 17 3.345 4.194 -1.528 116 HD22 ASN 17 HD22 ASN 17 3.480 3.420 0.011 117 H SER 18 HN SER 18 3.731 5.901 -2.933 118 HA SER 18 HA SER 18 2.554 4.135 -4.975 119 HB2 SER 18 HB2 SER 18 5.120 5.753 -5.086 120 HB3 SER 18 HB1 SER 18 4.529 4.692 -6.365 121 HG SER 18 HG SER 18 3.588 6.464 -7.017 122 HA PRO 19 HA PRO 19 5.227 1.450 -2.360 123 HB2 PRO 19 HB2 PRO 19 3.205 -0.375 -1.752 124 HB3 PRO 19 HB1 PRO 19 3.676 1.015 -0.764 125 HG2 PRO 19 HG2 PRO 19 1.222 0.634 -2.119 126 HG3 PRO 19 HG1 PRO 19 1.762 2.070 -1.231 127 HD2 PRO 19 HD2 PRO 19 1.776 1.547 -4.145 128 HD3 PRO 19 HD1 PRO 19 1.662 3.086 -3.262 129 H GLY 20 HN GLY 20 2.959 0.403 -4.894 130 HA2 GLY 20 HA2 GLY 20 3.854 -0.881 -6.749 131 HA3 GLY 20 HA1 GLY 20 4.892 -1.713 -5.602 132 H CYS 21 HN CYS 21 2.677 -2.056 -3.634 133 HA CYS 21 HA CYS 21 1.114 -3.569 -3.018 134 HB2 CYS 21 HB2 CYS 21 0.262 -3.481 -5.933 135 HB3 CYS 21 HB1 CYS 21 -0.696 -4.116 -4.602 136 H ILE 22 HN ILE 22 1.651 -5.456 -2.387 137 HA ILE 22 HA ILE 22 2.491 -7.505 -4.339 138 HB ILE 22 HB ILE 22 3.458 -8.014 -1.632 139 HG12 ILE 22 HG12 ILE 22 3.740 -5.463 -1.774 140 HG13 ILE 22 HG11 ILE 22 5.154 -6.402 -1.343 141 HG21 ILE 22 HG21 ILE 22 5.527 -8.597 -2.819 142 HG22 ILE 22 HG22 ILE 22 4.818 -7.982 -4.311 143 HG23 ILE 22 HG23 ILE 22 4.093 -9.369 -3.497 144 HD11 ILE 22 HD11 ILE 22 6.007 -4.828 -2.790 145 HD12 ILE 22 HD12 ILE 22 4.598 -4.855 -3.844 146 HD13 ILE 22 HD13 ILE 22 5.748 -6.195 -3.870 147 H PHE 23 HN PHE 23 2.270 -9.780 -3.199 148 HA PHE 23 HA PHE 23 -0.512 -10.010 -2.543 149 HB2 PHE 23 HB2 PHE 23 0.973 -11.608 -3.962 150 HB3 PHE 23 HB1 PHE 23 1.430 -12.299 -2.409 151 HD1 PHE 23 HD1 PHE 23 -0.167 -13.545 -1.083 152 HD2 PHE 23 HD2 PHE 23 -1.266 -11.870 -4.838 153 HE1 PHE 23 HE1 PHE 23 -2.189 -14.946 -1.112 154 HE2 PHE 23 HE2 PHE 23 -3.290 -13.268 -4.874 155 HZ PHE 23 HZ PHE 23 -3.754 -14.808 -3.008 156 H GLY 24 HN GLY 24 -0.573 -8.824 -0.533 157 HA2 GLY 24 HA2 GLY 24 -1.200 -9.771 1.708 158 HA3 GLY 24 HA1 GLY 24 0.424 -10.415 1.745 159 H ILE 25 HN ILE 25 0.849 -7.402 0.400 160 HA ILE 25 HA ILE 25 0.573 -5.639 2.597 161 HB ILE 25 HB ILE 25 3.263 -5.428 2.816 162 HG12 ILE 25 HG12 ILE 25 4.289 -7.644 3.165 163 HG13 ILE 25 HG11 ILE 25 2.827 -8.416 2.560 164 HG21 ILE 25 HG21 ILE 25 1.721 -5.496 4.665 165 HG22 ILE 25 HG22 ILE 25 3.095 -6.557 4.972 166 HG23 ILE 25 HG23 ILE 25 1.545 -7.242 4.486 167 HD11 ILE 25 HD11 ILE 25 4.827 -6.769 1.056 168 HD12 ILE 25 HD12 ILE 25 3.211 -7.109 0.428 169 HD13 ILE 25 HD13 ILE 25 4.328 -8.441 0.768 170 H CYS 26 HN CYS 26 1.041 -3.501 1.974 171 HA CYS 26 HA CYS 26 1.700 -3.106 -0.801 172 HB2 CYS 26 HB2 CYS 26 0.314 -1.652 1.172 173 HB3 CYS 26 HB1 CYS 26 1.688 -0.652 0.711 174 H ALA 27 HN ALA 27 3.678 -3.030 -1.569 175 HA ALA 27 HA ALA 27 5.897 -2.713 -1.870 176 HB1 ALA 27 HB1 ALA 27 6.074 -0.483 -1.577 177 HB2 ALA 27 HB2 ALA 27 6.941 -0.950 -0.113 178 HB3 ALA 27 HB3 ALA 27 5.235 -0.510 -0.026 Start of MODEL 8 1 H1 CYS 1 HT1 CYS 1 -7.408 4.690 3.413 2 H2 CYS 1 HT2 CYS 1 -7.471 6.115 2.504 3 H3 CYS 1 HT3 CYS 1 -6.808 6.134 4.059 4 HA CYS 1 HA CYS 1 -5.705 4.674 1.731 5 HB2 CYS 1 HB2 CYS 1 -5.578 7.369 2.185 6 HB3 CYS 1 HB1 CYS 1 -4.125 6.814 3.010 7 H ILE 2 HN ILE 2 -3.642 3.686 2.127 8 HA ILE 2 HA ILE 2 -2.967 3.255 4.941 9 HB ILE 2 HB ILE 2 -2.398 0.803 4.139 10 HG12 ILE 2 HG12 ILE 2 -5.022 0.941 2.756 11 HG13 ILE 2 HG11 ILE 2 -3.650 1.570 1.857 12 HG21 ILE 2 HG21 ILE 2 -4.531 0.078 5.152 13 HG22 ILE 2 HG22 ILE 2 -5.109 1.740 5.056 14 HG23 ILE 2 HG23 ILE 2 -3.722 1.347 6.071 15 HD11 ILE 2 HD11 ILE 2 -2.537 -0.546 1.945 16 HD12 ILE 2 HD12 ILE 2 -4.191 -0.812 1.399 17 HD13 ILE 2 HD13 ILE 2 -3.746 -1.190 3.060 18 HA PRO 3 HA PRO 3 1.194 3.591 3.391 19 HB2 PRO 3 HB2 PRO 3 2.604 2.794 5.540 20 HB3 PRO 3 HB1 PRO 3 1.631 4.276 5.569 21 HG2 PRO 3 HG2 PRO 3 1.061 1.622 6.770 22 HG3 PRO 3 HG1 PRO 3 0.685 3.245 7.379 23 HD2 PRO 3 HD2 PRO 3 -1.100 1.550 6.060 24 HD3 PRO 3 HD1 PRO 3 -1.309 3.292 6.314 25 H ARG 4 HN ARG 4 3.384 2.041 4.111 26 HA ARG 4 HA ARG 4 3.253 -0.181 2.312 27 HB2 ARG 4 HB2 ARG 4 5.281 1.392 3.658 28 HB3 ARG 4 HB1 ARG 4 5.641 -0.320 3.800 29 HG2 ARG 4 HG2 ARG 4 6.766 0.317 1.878 30 HG3 ARG 4 HG1 ARG 4 5.286 -0.407 1.260 31 HD2 ARG 4 HD2 ARG 4 5.741 1.609 0.030 32 HD3 ARG 4 HD1 ARG 4 4.320 1.873 1.036 33 HE ARG 4 HE ARG 4 6.257 2.844 2.598 34 HH11 ARG 4 HH11 ARG 4 5.633 3.403 -0.813 35 HH12 ARG 4 HH12 ARG 4 6.312 4.997 -0.793 36 HH21 ARG 4 HH21 ARG 4 7.139 4.932 2.601 37 HH22 ARG 4 HH22 ARG 4 7.163 5.860 1.138 38 H GLY 5 HN GLY 5 2.562 -2.123 2.772 39 HA2 GLY 5 HA2 GLY 5 2.790 -4.188 3.945 40 HA3 GLY 5 HA1 GLY 5 3.130 -3.289 5.411 41 H GLY 6 HN GLY 6 0.493 -2.694 3.136 42 HA2 GLY 6 HA2 GLY 6 -1.405 -3.510 5.243 43 HA3 GLY 6 HA1 GLY 6 -1.627 -2.053 4.290 44 H ILE 7 HN ILE 7 -0.363 -4.616 2.466 45 HA ILE 7 HA ILE 7 -1.156 -6.043 0.871 46 HB ILE 7 HB ILE 7 -3.936 -5.987 2.089 47 HG12 ILE 7 HG12 ILE 7 -3.004 -8.332 3.021 48 HG13 ILE 7 HG11 ILE 7 -1.518 -7.410 3.118 49 HG21 ILE 7 HG21 ILE 7 -2.457 -7.933 0.336 50 HG22 ILE 7 HG22 ILE 7 -3.918 -7.020 -0.040 51 HG23 ILE 7 HG23 ILE 7 -3.975 -8.325 1.144 52 HD11 ILE 7 HD11 ILE 7 -2.696 -5.743 4.510 53 HD12 ILE 7 HD12 ILE 7 -2.673 -7.354 5.225 54 HD13 ILE 7 HD13 ILE 7 -4.137 -6.757 4.445 55 H CYS 8 HN CYS 8 -1.495 -5.415 -1.179 56 HA CYS 8 HA CYS 8 -3.715 -3.624 -1.788 57 HB2 CYS 8 HB2 CYS 8 -1.994 -1.998 -1.484 58 HB3 CYS 8 HB1 CYS 8 -0.817 -2.986 -2.340 59 H LEU 9 HN LEU 9 -1.641 -6.173 -2.752 60 HA LEU 9 HA LEU 9 -2.735 -6.105 -5.489 61 HB2 LEU 9 HB2 LEU 9 -0.189 -6.280 -4.983 62 HB3 LEU 9 HB1 LEU 9 -0.542 -7.948 -4.588 63 HG LEU 9 HG LEU 9 -1.654 -7.930 -6.995 64 HD11 LEU 9 HD11 LEU 9 -0.458 -6.536 -8.564 65 HD12 LEU 9 HD12 LEU 9 0.488 -5.825 -7.257 66 HD13 LEU 9 HD13 LEU 9 -1.247 -5.524 -7.353 67 HD21 LEU 9 HD21 LEU 9 0.474 -8.751 -7.898 68 HD22 LEU 9 HD22 LEU 9 0.144 -9.402 -6.293 69 HD23 LEU 9 HD23 LEU 9 1.314 -8.097 -6.492 70 H VAL 10 HN VAL 10 -2.767 -7.838 -2.514 71 HA VAL 10 HA VAL 10 -4.098 -10.147 -3.724 72 HB VAL 10 HB VAL 10 -3.039 -9.810 -0.891 73 HG11 VAL 10 HG11 VAL 10 -3.800 -12.405 -2.239 74 HG12 VAL 10 HG12 VAL 10 -4.876 -11.516 -1.159 75 HG13 VAL 10 HG13 VAL 10 -3.346 -12.149 -0.554 76 HG21 VAL 10 HG21 VAL 10 -1.799 -11.344 -3.173 77 HG22 VAL 10 HG22 VAL 10 -1.182 -11.197 -1.529 78 HG23 VAL 10 HG23 VAL 10 -1.255 -9.774 -2.572 79 H ALA 11 HN ALA 11 -4.828 -7.310 -1.905 80 HA ALA 11 HA ALA 11 -7.561 -8.297 -1.525 81 HB1 ALA 11 HB1 ALA 11 -7.735 -7.434 0.681 82 HB2 ALA 11 HB2 ALA 11 -6.156 -6.656 0.557 83 HB3 ALA 11 HB3 ALA 11 -6.269 -8.415 0.607 84 H LEU 12 HN LEU 12 -5.560 -5.382 -1.493 85 HA LEU 12 HA LEU 12 -7.888 -3.765 -2.230 86 HB2 LEU 12 HB2 LEU 12 -5.669 -3.307 -0.570 87 HB3 LEU 12 HB1 LEU 12 -5.425 -2.272 -1.963 88 HG LEU 12 HG LEU 12 -8.012 -1.706 -1.404 89 HD11 LEU 12 HD11 LEU 12 -8.236 -1.434 1.009 90 HD12 LEU 12 HD12 LEU 12 -6.684 -2.237 1.250 91 HD13 LEU 12 HD13 LEU 12 -8.044 -3.133 0.574 92 HD21 LEU 12 HD21 LEU 12 -7.010 0.258 -0.099 93 HD22 LEU 12 HD22 LEU 12 -6.502 0.030 -1.771 94 HD23 LEU 12 HD23 LEU 12 -5.447 -0.480 -0.456 95 H SER 13 HN SER 13 -6.557 -1.665 -3.569 96 HA SER 13 HA SER 13 -5.527 -2.925 -6.014 97 HB2 SER 13 HB2 SER 13 -7.596 -0.722 -5.896 98 HB3 SER 13 HB1 SER 13 -6.850 -1.339 -7.370 99 HG SER 13 HG SER 13 -8.960 -2.296 -6.061 100 H GLY 14 HN GLY 14 -5.495 -0.260 -3.806 101 HA2 GLY 14 HA2 GLY 14 -2.892 0.574 -4.631 102 HA3 GLY 14 HA1 GLY 14 -4.116 1.715 -5.166 103 H CYS 15 HN CYS 15 -1.894 1.956 -3.196 104 HA CYS 15 HA CYS 15 -3.500 2.842 -0.891 105 HB2 CYS 15 HB2 CYS 15 -0.617 2.086 -0.568 106 HB3 CYS 15 HB1 CYS 15 -1.887 2.121 0.639 107 H CYS 16 HN CYS 16 -1.476 4.190 0.491 108 HA CYS 16 HA CYS 16 -1.131 6.551 -1.179 109 HB2 CYS 16 HB2 CYS 16 -1.122 5.990 1.737 110 HB3 CYS 16 HB1 CYS 16 -0.117 7.327 1.186 111 H ASN 17 HN ASN 17 1.021 7.801 -0.805 112 HA ASN 17 HA ASN 17 3.261 8.001 -1.190 113 HB2 ASN 17 HB2 ASN 17 3.654 5.296 0.120 114 HB3 ASN 17 HB1 ASN 17 4.808 6.616 0.016 115 HD21 ASN 17 HD21 ASN 17 3.105 5.003 2.132 116 HD22 ASN 17 HD22 ASN 17 2.704 6.237 3.274 117 H SER 18 HN SER 18 4.773 5.178 -1.465 118 HA SER 18 HA SER 18 4.181 4.848 -4.335 119 HB2 SER 18 HB2 SER 18 6.493 5.647 -3.774 120 HB3 SER 18 HB1 SER 18 6.747 4.151 -2.876 121 HG SER 18 HG SER 18 7.562 3.913 -4.952 122 HA PRO 19 HA PRO 19 2.971 0.888 -2.422 123 HB2 PRO 19 HB2 PRO 19 0.364 0.868 -3.106 124 HB3 PRO 19 HB1 PRO 19 0.989 1.797 -1.732 125 HG2 PRO 19 HG2 PRO 19 -0.027 2.756 -4.307 126 HG3 PRO 19 HG1 PRO 19 0.155 3.620 -2.770 127 HD2 PRO 19 HD2 PRO 19 1.927 3.630 -5.060 128 HD3 PRO 19 HD1 PRO 19 2.026 4.596 -3.575 129 H GLY 20 HN GLY 20 4.254 -0.248 -3.821 130 HA2 GLY 20 HA2 GLY 20 3.645 -0.814 -6.540 131 HA3 GLY 20 HA1 GLY 20 4.785 -1.697 -5.539 132 H CYS 21 HN CYS 21 2.560 -2.257 -3.545 133 HA CYS 21 HA CYS 21 1.085 -3.889 -3.013 134 HB2 CYS 21 HB2 CYS 21 0.151 -3.963 -5.894 135 HB3 CYS 21 HB1 CYS 21 -0.806 -4.197 -4.434 136 H ILE 22 HN ILE 22 1.914 -5.761 -2.480 137 HA ILE 22 HA ILE 22 2.690 -7.614 -4.623 138 HB ILE 22 HB ILE 22 4.199 -8.085 -2.164 139 HG12 ILE 22 HG12 ILE 22 4.934 -5.602 -3.744 140 HG13 ILE 22 HG11 ILE 22 4.080 -5.540 -2.209 141 HG21 ILE 22 HG21 ILE 22 4.573 -9.245 -4.274 142 HG22 ILE 22 HG22 ILE 22 6.020 -8.369 -3.774 143 HG23 ILE 22 HG23 ILE 22 4.992 -7.717 -5.051 144 HD11 ILE 22 HD11 ILE 22 6.347 -5.107 -1.737 145 HD12 ILE 22 HD12 ILE 22 6.894 -6.458 -2.729 146 HD13 ILE 22 HD13 ILE 22 6.055 -6.764 -1.210 147 H PHE 23 HN PHE 23 3.403 -9.631 -2.435 148 HA PHE 23 HA PHE 23 0.724 -10.690 -2.232 149 HB2 PHE 23 HB2 PHE 23 2.944 -11.934 -2.861 150 HB3 PHE 23 HB1 PHE 23 3.073 -12.132 -1.119 151 HD1 PHE 23 HD1 PHE 23 1.523 -13.538 0.094 152 HD2 PHE 23 HD2 PHE 23 1.205 -13.047 -4.122 153 HE1 PHE 23 HE1 PHE 23 0.015 -15.478 -0.014 154 HE2 PHE 23 HE2 PHE 23 -0.305 -14.986 -4.238 155 HZ PHE 23 HZ PHE 23 -0.901 -16.204 -2.182 156 H GLY 24 HN GLY 24 -0.447 -9.793 -0.657 157 HA2 GLY 24 HA2 GLY 24 -1.332 -9.617 1.457 158 HA3 GLY 24 HA1 GLY 24 -0.042 -10.653 2.027 159 H ILE 25 HN ILE 25 0.567 -7.588 0.419 160 HA ILE 25 HA ILE 25 0.761 -5.938 2.692 161 HB ILE 25 HB ILE 25 3.411 -5.666 2.347 162 HG12 ILE 25 HG12 ILE 25 4.477 -7.958 2.355 163 HG13 ILE 25 HG11 ILE 25 2.941 -8.601 1.788 164 HG21 ILE 25 HG21 ILE 25 3.748 -6.665 4.429 165 HG22 ILE 25 HG22 ILE 25 2.479 -7.857 4.165 166 HG23 ILE 25 HG23 ILE 25 2.056 -6.173 4.453 167 HD11 ILE 25 HD11 ILE 25 3.118 -7.523 -0.267 168 HD12 ILE 25 HD12 ILE 25 4.743 -8.139 0.060 169 HD13 ILE 25 HD13 ILE 25 4.375 -6.427 0.314 170 H CYS 26 HN CYS 26 0.917 -3.817 2.041 171 HA CYS 26 HA CYS 26 1.001 -3.345 -0.809 172 HB2 CYS 26 HB2 CYS 26 -0.728 -2.305 0.666 173 HB3 CYS 26 HB1 CYS 26 0.549 -1.364 1.431 174 H ALA 27 HN ALA 27 3.004 -3.364 -1.622 175 HA ALA 27 HA ALA 27 5.122 -2.754 -2.156 176 HB1 ALA 27 HB1 ALA 27 4.164 -0.334 -0.738 177 HB2 ALA 27 HB2 ALA 27 4.819 -0.511 -2.361 178 HB3 ALA 27 HB3 ALA 27 5.903 -0.488 -0.977 Start of MODEL 9 1 H1 CYS 1 HT1 CYS 1 -6.043 6.962 3.893 2 H2 CYS 1 HT2 CYS 1 -6.511 5.780 2.777 3 H3 CYS 1 HT3 CYS 1 -6.195 7.357 2.255 4 HA CYS 1 HA CYS 1 -4.378 5.895 1.693 5 HB2 CYS 1 HB2 CYS 1 -4.115 8.217 3.481 6 HB3 CYS 1 HB1 CYS 1 -2.686 7.195 3.389 7 H ILE 2 HN ILE 2 -3.142 4.172 2.173 8 HA ILE 2 HA ILE 2 -3.098 3.251 4.977 9 HB ILE 2 HB ILE 2 -2.657 1.179 2.871 10 HG12 ILE 2 HG12 ILE 2 -5.293 0.807 3.141 11 HG13 ILE 2 HG11 ILE 2 -5.281 2.558 3.314 12 HG21 ILE 2 HG21 ILE 2 -3.927 -0.190 4.526 13 HG22 ILE 2 HG22 ILE 2 -3.983 1.228 5.572 14 HG23 ILE 2 HG23 ILE 2 -2.431 0.513 5.135 15 HD11 ILE 2 HD11 ILE 2 -4.069 2.670 1.135 16 HD12 ILE 2 HD12 ILE 2 -5.719 2.060 1.042 17 HD13 ILE 2 HD13 ILE 2 -4.359 0.941 0.953 18 HA PRO 3 HA PRO 3 1.346 3.781 4.626 19 HB2 PRO 3 HB2 PRO 3 1.576 1.890 6.892 20 HB3 PRO 3 HB1 PRO 3 2.065 3.591 6.793 21 HG2 PRO 3 HG2 PRO 3 -0.012 2.854 8.263 22 HG3 PRO 3 HG1 PRO 3 -0.023 4.372 7.342 23 HD2 PRO 3 HD2 PRO 3 -1.312 1.756 6.670 24 HD3 PRO 3 HD1 PRO 3 -1.966 3.402 6.549 25 H ARG 4 HN ARG 4 3.292 1.982 5.339 26 HA ARG 4 HA ARG 4 3.140 0.001 3.175 27 HB2 ARG 4 HB2 ARG 4 5.321 1.505 4.537 28 HB3 ARG 4 HB1 ARG 4 5.708 -0.107 3.960 29 HG2 ARG 4 HG2 ARG 4 6.348 1.431 2.278 30 HG3 ARG 4 HG1 ARG 4 4.925 0.576 1.715 31 HD2 ARG 4 HD2 ARG 4 4.858 2.974 1.164 32 HD3 ARG 4 HD1 ARG 4 3.520 2.495 2.200 33 HE ARG 4 HE ARG 4 5.897 3.663 3.454 34 HH11 ARG 4 HH11 ARG 4 2.543 4.068 2.495 35 HH12 ARG 4 HH12 ARG 4 2.306 5.461 3.496 36 HH21 ARG 4 HH21 ARG 4 5.565 5.489 4.754 37 HH22 ARG 4 HH22 ARG 4 4.016 6.264 4.773 38 H GLY 5 HN GLY 5 3.167 -2.116 3.512 39 HA2 GLY 5 HA2 GLY 5 3.735 -4.103 4.701 40 HA3 GLY 5 HA1 GLY 5 3.788 -3.163 6.188 41 H GLY 6 HN GLY 6 1.254 -2.982 3.772 42 HA2 GLY 6 HA2 GLY 6 -0.656 -4.007 5.766 43 HA3 GLY 6 HA1 GLY 6 -1.038 -2.817 4.533 44 H ILE 7 HN ILE 7 -1.511 -3.453 2.469 45 HA ILE 7 HA ILE 7 -1.183 -5.914 1.230 46 HB ILE 7 HB ILE 7 -3.693 -6.686 1.276 47 HG12 ILE 7 HG12 ILE 7 -4.640 -6.603 3.663 48 HG13 ILE 7 HG11 ILE 7 -3.594 -5.224 3.926 49 HG21 ILE 7 HG21 ILE 7 -2.006 -7.369 3.661 50 HG22 ILE 7 HG22 ILE 7 -1.765 -8.011 2.037 51 HG23 ILE 7 HG23 ILE 7 -3.256 -8.362 2.911 52 HD11 ILE 7 HD11 ILE 7 -5.820 -4.490 3.383 53 HD12 ILE 7 HD12 ILE 7 -5.813 -5.449 1.904 54 HD13 ILE 7 HD13 ILE 7 -4.734 -4.064 2.060 55 H CYS 8 HN CYS 8 -2.015 -5.869 -0.889 56 HA CYS 8 HA CYS 8 -4.007 -3.954 -1.646 57 HB2 CYS 8 HB2 CYS 8 -2.133 -2.425 -1.475 58 HB3 CYS 8 HB1 CYS 8 -1.153 -3.479 -2.478 59 H LEU 9 HN LEU 9 -1.292 -5.620 -3.243 60 HA LEU 9 HA LEU 9 -2.800 -6.245 -5.584 61 HB2 LEU 9 HB2 LEU 9 -0.195 -6.111 -5.174 62 HB3 LEU 9 HB1 LEU 9 -0.375 -7.818 -4.838 63 HG LEU 9 HG LEU 9 -1.610 -7.822 -7.175 64 HD11 LEU 9 HD11 LEU 9 0.234 -5.446 -7.406 65 HD12 LEU 9 HD12 LEU 9 -1.525 -5.410 -7.509 66 HD13 LEU 9 HD13 LEU 9 -0.588 -6.249 -8.743 67 HD21 LEU 9 HD21 LEU 9 1.384 -7.683 -6.849 68 HD22 LEU 9 HD22 LEU 9 0.534 -8.370 -8.232 69 HD23 LEU 9 HD23 LEU 9 0.375 -9.114 -6.642 70 H VAL 10 HN VAL 10 -3.017 -7.538 -2.563 71 HA VAL 10 HA VAL 10 -3.591 -10.254 -3.434 72 HB VAL 10 HB VAL 10 -2.093 -9.939 -1.492 73 HG11 VAL 10 HG11 VAL 10 -2.860 -7.980 -0.457 74 HG12 VAL 10 HG12 VAL 10 -3.139 -9.282 0.703 75 HG13 VAL 10 HG13 VAL 10 -4.485 -8.633 -0.233 76 HG21 VAL 10 HG21 VAL 10 -3.247 -11.492 0.097 77 HG22 VAL 10 HG22 VAL 10 -3.214 -12.042 -1.577 78 HG23 VAL 10 HG23 VAL 10 -4.692 -11.352 -0.904 79 H ALA 11 HN ALA 11 -5.205 -7.403 -2.210 80 HA ALA 11 HA ALA 11 -7.795 -8.643 -2.740 81 HB1 ALA 11 HB1 ALA 11 -8.774 -7.935 -0.645 82 HB2 ALA 11 HB2 ALA 11 -7.235 -7.237 -0.140 83 HB3 ALA 11 HB3 ALA 11 -7.388 -8.983 -0.340 84 H LEU 12 HN LEU 12 -6.088 -5.685 -1.908 85 HA LEU 12 HA LEU 12 -8.248 -3.982 -2.827 86 HB2 LEU 12 HB2 LEU 12 -6.125 -3.726 -1.020 87 HB3 LEU 12 HB1 LEU 12 -5.738 -2.619 -2.322 88 HG LEU 12 HG LEU 12 -8.454 -2.545 -1.051 89 HD11 LEU 12 HD11 LEU 12 -6.897 -2.475 0.808 90 HD12 LEU 12 HD12 LEU 12 -7.610 -0.884 0.543 91 HD13 LEU 12 HD13 LEU 12 -5.964 -1.213 0.002 92 HD21 LEU 12 HD21 LEU 12 -8.161 -1.220 -3.048 93 HD22 LEU 12 HD22 LEU 12 -6.696 -0.490 -2.392 94 HD23 LEU 12 HD23 LEU 12 -8.259 -0.147 -1.652 95 H SER 13 HN SER 13 -6.798 -1.857 -3.986 96 HA SER 13 HA SER 13 -5.687 -3.019 -6.443 97 HB2 SER 13 HB2 SER 13 -7.681 -0.750 -6.296 98 HB3 SER 13 HB1 SER 13 -6.886 -1.310 -7.767 99 HG SER 13 HG SER 13 -7.882 -3.362 -7.388 100 H GLY 14 HN GLY 14 -5.686 -0.477 -4.095 101 HA2 GLY 14 HA2 GLY 14 -3.017 0.301 -4.761 102 HA3 GLY 14 HA1 GLY 14 -4.181 1.519 -5.255 103 H CYS 15 HN CYS 15 -2.149 1.981 -3.393 104 HA CYS 15 HA CYS 15 -3.728 2.557 -0.980 105 HB2 CYS 15 HB2 CYS 15 -0.809 1.858 -0.772 106 HB3 CYS 15 HB1 CYS 15 -2.035 1.838 0.486 107 H CYS 16 HN CYS 16 -1.587 3.892 0.394 108 HA CYS 16 HA CYS 16 -1.660 6.442 -0.934 109 HB2 CYS 16 HB2 CYS 16 -1.626 5.772 1.660 110 HB3 CYS 16 HB1 CYS 16 0.104 6.007 1.426 111 H ASN 17 HN ASN 17 0.213 7.719 -1.486 112 HA ASN 17 HA ASN 17 1.989 8.034 -2.866 113 HB2 ASN 17 HB2 ASN 17 4.185 7.383 -1.851 114 HB3 ASN 17 HB1 ASN 17 3.111 8.235 -0.756 115 HD21 ASN 17 HD21 ASN 17 4.130 4.984 -1.686 116 HD22 ASN 17 HD22 ASN 17 4.013 4.301 -0.104 117 H SER 18 HN SER 18 4.342 6.103 -3.067 118 HA SER 18 HA SER 18 3.105 4.322 -5.055 119 HB2 SER 18 HB2 SER 18 5.392 4.252 -6.089 120 HB3 SER 18 HB1 SER 18 4.667 5.859 -6.080 121 HG SER 18 HG SER 18 6.018 6.467 -4.463 122 HA PRO 19 HA PRO 19 4.696 1.405 -1.889 123 HB2 PRO 19 HB2 PRO 19 2.340 -0.129 -1.813 124 HB3 PRO 19 HB1 PRO 19 2.774 1.177 -0.706 125 HG2 PRO 19 HG2 PRO 19 0.656 1.184 -2.564 126 HG3 PRO 19 HG1 PRO 19 1.224 2.531 -1.565 127 HD2 PRO 19 HD2 PRO 19 1.774 1.956 -4.420 128 HD3 PRO 19 HD1 PRO 19 1.723 3.509 -3.559 129 H GLY 20 HN GLY 20 2.900 0.521 -4.855 130 HA2 GLY 20 HA2 GLY 20 3.978 -0.870 -6.488 131 HA3 GLY 20 HA1 GLY 20 4.802 -1.690 -5.172 132 H CYS 21 HN CYS 21 2.413 -2.021 -3.516 133 HA CYS 21 HA CYS 21 0.822 -3.585 -3.077 134 HB2 CYS 21 HB2 CYS 21 0.162 -3.282 -6.038 135 HB3 CYS 21 HB1 CYS 21 -0.870 -4.049 -4.839 136 H ILE 22 HN ILE 22 1.608 -5.398 -2.494 137 HA ILE 22 HA ILE 22 2.505 -7.324 -4.531 138 HB ILE 22 HB ILE 22 3.652 -7.472 -1.771 139 HG12 ILE 22 HG12 ILE 22 4.901 -5.674 -3.854 140 HG13 ILE 22 HG11 ILE 22 3.744 -5.046 -2.688 141 HG21 ILE 22 HG21 ILE 22 4.763 -8.016 -4.530 142 HG22 ILE 22 HG22 ILE 22 4.136 -9.222 -3.406 143 HG23 ILE 22 HG23 ILE 22 5.602 -8.325 -3.009 144 HD11 ILE 22 HD11 ILE 22 5.202 -5.515 -0.879 145 HD12 ILE 22 HD12 ILE 22 6.132 -4.677 -2.119 146 HD13 ILE 22 HD13 ILE 22 6.303 -6.422 -1.915 147 H PHE 23 HN PHE 23 2.382 -9.620 -3.724 148 HA PHE 23 HA PHE 23 -0.275 -10.145 -2.879 149 HB2 PHE 23 HB2 PHE 23 1.282 -11.510 -4.453 150 HB3 PHE 23 HB1 PHE 23 1.862 -12.253 -2.968 151 HD1 PHE 23 HD1 PHE 23 0.435 -13.716 -1.670 152 HD2 PHE 23 HD2 PHE 23 -0.959 -11.915 -5.265 153 HE1 PHE 23 HE1 PHE 23 -1.459 -15.286 -1.716 154 HE2 PHE 23 HE2 PHE 23 -2.856 -13.481 -5.318 155 HZ PHE 23 HZ PHE 23 -3.107 -15.170 -3.542 156 H GLY 24 HN GLY 24 -0.394 -9.130 -0.798 157 HA2 GLY 24 HA2 GLY 24 -0.814 -10.304 1.388 158 HA3 GLY 24 HA1 GLY 24 0.883 -10.723 1.335 159 H ILE 25 HN ILE 25 0.940 -7.620 0.191 160 HA ILE 25 HA ILE 25 0.449 -6.051 2.495 161 HB ILE 25 HB ILE 25 3.054 -5.499 2.785 162 HG12 ILE 25 HG12 ILE 25 4.331 -7.674 2.986 163 HG13 ILE 25 HG11 ILE 25 3.052 -8.426 2.036 164 HG21 ILE 25 HG21 ILE 25 3.080 -6.872 4.803 165 HG22 ILE 25 HG22 ILE 25 1.651 -7.730 4.228 166 HG23 ILE 25 HG23 ILE 25 1.556 -6.008 4.599 167 HD11 ILE 25 HD11 ILE 25 4.998 -6.313 1.206 168 HD12 ILE 25 HD12 ILE 25 3.513 -6.640 0.305 169 HD13 ILE 25 HD13 ILE 25 4.729 -7.911 0.499 170 H CYS 26 HN CYS 26 0.551 -3.870 1.965 171 HA CYS 26 HA CYS 26 1.285 -3.223 -0.754 172 HB2 CYS 26 HB2 CYS 26 -0.757 -2.356 0.665 173 HB3 CYS 26 HB1 CYS 26 0.405 -1.166 1.242 174 H ALA 27 HN ALA 27 3.522 -3.545 -0.689 175 HA ALA 27 HA ALA 27 5.707 -2.960 -0.610 176 HB1 ALA 27 HB1 ALA 27 4.419 -0.336 -0.079 177 HB2 ALA 27 HB2 ALA 27 5.503 -0.823 -1.380 178 HB3 ALA 27 HB3 ALA 27 6.151 -0.485 0.223 Start of MODEL 10 1 H1 CYS 1 HT1 CYS 1 -6.844 3.967 1.957 2 H2 CYS 1 HT2 CYS 1 -7.133 5.563 1.475 3 H3 CYS 1 HT3 CYS 1 -7.207 5.149 3.113 4 HA CYS 1 HA CYS 1 -4.783 5.056 1.418 5 HB2 CYS 1 HB2 CYS 1 -5.522 7.352 1.910 6 HB3 CYS 1 HB1 CYS 1 -5.562 6.974 3.628 7 H ILE 2 HN ILE 2 -3.219 3.805 2.159 8 HA ILE 2 HA ILE 2 -3.015 3.216 5.003 9 HB ILE 2 HB ILE 2 -2.479 0.745 4.288 10 HG12 ILE 2 HG12 ILE 2 -4.717 1.178 2.344 11 HG13 ILE 2 HG11 ILE 2 -3.075 1.509 1.810 12 HG21 ILE 2 HG21 ILE 2 -5.273 1.829 4.627 13 HG22 ILE 2 HG22 ILE 2 -4.150 1.379 5.910 14 HG23 ILE 2 HG23 ILE 2 -4.807 0.141 4.840 15 HD11 ILE 2 HD11 ILE 2 -2.423 -0.750 2.161 16 HD12 ILE 2 HD12 ILE 2 -3.939 -0.768 1.264 17 HD13 ILE 2 HD13 ILE 2 -3.935 -1.120 2.990 18 HA PRO 3 HA PRO 3 1.330 3.453 4.035 19 HB2 PRO 3 HB2 PRO 3 2.200 2.036 6.360 20 HB3 PRO 3 HB1 PRO 3 2.002 3.785 6.181 21 HG2 PRO 3 HG2 PRO 3 0.497 2.188 7.851 22 HG3 PRO 3 HG1 PRO 3 0.028 3.798 7.272 23 HD2 PRO 3 HD2 PRO 3 -0.816 1.113 6.273 24 HD3 PRO 3 HD1 PRO 3 -1.762 2.605 6.453 25 H ARG 4 HN ARG 4 3.444 2.045 4.319 26 HA ARG 4 HA ARG 4 3.317 -0.144 2.511 27 HB2 ARG 4 HB2 ARG 4 5.318 1.520 3.696 28 HB3 ARG 4 HB1 ARG 4 5.777 -0.151 3.972 29 HG2 ARG 4 HG2 ARG 4 6.820 0.298 1.977 30 HG3 ARG 4 HG1 ARG 4 5.312 -0.428 1.428 31 HD2 ARG 4 HD2 ARG 4 4.408 1.673 0.823 32 HD3 ARG 4 HD1 ARG 4 5.651 2.551 1.715 33 HE ARG 4 HE ARG 4 6.396 0.927 -0.614 34 HH11 ARG 4 HH11 ARG 4 6.181 4.083 0.913 35 HH12 ARG 4 HH12 ARG 4 7.165 4.856 -0.285 36 HH21 ARG 4 HH21 ARG 4 7.682 1.961 -2.169 37 HH22 ARG 4 HH22 ARG 4 8.013 3.654 -2.028 38 H GLY 5 HN GLY 5 2.722 -2.132 2.934 39 HA2 GLY 5 HA2 GLY 5 3.119 -4.226 4.028 40 HA3 GLY 5 HA1 GLY 5 3.457 -3.352 5.509 41 H GLY 6 HN GLY 6 0.716 -2.675 3.406 42 HA2 GLY 6 HA2 GLY 6 -1.063 -3.844 5.441 43 HA3 GLY 6 HA1 GLY 6 -1.333 -2.222 4.827 44 H ILE 7 HN ILE 7 -0.431 -5.163 3.083 45 HA ILE 7 HA ILE 7 -1.228 -6.187 1.226 46 HB ILE 7 HB ILE 7 -3.485 -7.097 1.346 47 HG12 ILE 7 HG12 ILE 7 -4.632 -6.372 3.726 48 HG13 ILE 7 HG11 ILE 7 -4.008 -4.830 3.148 49 HG21 ILE 7 HG21 ILE 7 -3.303 -8.329 3.377 50 HG22 ILE 7 HG22 ILE 7 -2.311 -7.071 4.111 51 HG23 ILE 7 HG23 ILE 7 -1.678 -8.020 2.768 52 HD11 ILE 7 HD11 ILE 7 -6.213 -4.983 2.360 53 HD12 ILE 7 HD12 ILE 7 -5.990 -6.647 1.822 54 HD13 ILE 7 HD13 ILE 7 -5.185 -5.331 0.969 55 H CYS 8 HN CYS 8 -1.534 -5.620 -0.848 56 HA CYS 8 HA CYS 8 -3.578 -3.661 -1.507 57 HB2 CYS 8 HB2 CYS 8 -1.693 -2.204 -1.206 58 HB3 CYS 8 HB1 CYS 8 -0.665 -3.258 -2.162 59 H LEU 9 HN LEU 9 -1.001 -5.596 -3.023 60 HA LEU 9 HA LEU 9 -2.387 -5.805 -5.526 61 HB2 LEU 9 HB2 LEU 9 0.171 -6.103 -4.959 62 HB3 LEU 9 HB1 LEU 9 -0.288 -7.776 -4.732 63 HG LEU 9 HG LEU 9 -1.354 -7.463 -7.138 64 HD11 LEU 9 HD11 LEU 9 -0.002 -6.007 -8.548 65 HD12 LEU 9 HD12 LEU 9 0.879 -5.436 -7.131 66 HD13 LEU 9 HD13 LEU 9 -0.839 -5.079 -7.302 67 HD21 LEU 9 HD21 LEU 9 0.359 -9.091 -6.549 68 HD22 LEU 9 HD22 LEU 9 1.597 -7.838 -6.643 69 HD23 LEU 9 HD23 LEU 9 0.724 -8.326 -8.096 70 H VAL 10 HN VAL 10 -2.878 -7.296 -2.594 71 HA VAL 10 HA VAL 10 -3.863 -9.789 -3.709 72 HB VAL 10 HB VAL 10 -2.423 -9.977 -1.762 73 HG11 VAL 10 HG11 VAL 10 -4.460 -8.305 -0.310 74 HG12 VAL 10 HG12 VAL 10 -2.783 -7.883 -0.669 75 HG13 VAL 10 HG13 VAL 10 -3.143 -9.189 0.465 76 HG21 VAL 10 HG21 VAL 10 -5.276 -10.746 -1.154 77 HG22 VAL 10 HG22 VAL 10 -3.870 -11.324 -0.260 78 HG23 VAL 10 HG23 VAL 10 -4.053 -11.726 -1.967 79 H ALA 11 HN ALA 11 -5.067 -6.918 -2.050 80 HA ALA 11 HA ALA 11 -7.744 -7.499 -3.006 81 HB1 ALA 11 HB1 ALA 11 -8.848 -7.324 -0.871 82 HB2 ALA 11 HB2 ALA 11 -7.302 -7.067 -0.063 83 HB3 ALA 11 HB3 ALA 11 -7.655 -8.622 -0.817 84 H LEU 12 HN LEU 12 -5.764 -5.250 -1.144 85 HA LEU 12 HA LEU 12 -7.563 -3.047 -1.847 86 HB2 LEU 12 HB2 LEU 12 -6.592 -3.584 0.524 87 HB3 LEU 12 HB1 LEU 12 -5.172 -2.745 -0.064 88 HG LEU 12 HG LEU 12 -7.864 -1.424 -0.211 89 HD11 LEU 12 HD11 LEU 12 -6.082 -1.539 2.212 90 HD12 LEU 12 HD12 LEU 12 -7.712 -2.196 2.070 91 HD13 LEU 12 HD13 LEU 12 -7.456 -0.452 2.010 92 HD21 LEU 12 HD21 LEU 12 -5.131 -0.655 -0.694 93 HD22 LEU 12 HD22 LEU 12 -5.847 0.358 0.557 94 HD23 LEU 12 HD23 LEU 12 -6.621 0.230 -1.020 95 H SER 13 HN SER 13 -6.811 -3.201 -4.124 96 HA SER 13 HA SER 13 -4.183 -2.592 -4.930 97 HB2 SER 13 HB2 SER 13 -5.961 -3.642 -6.352 98 HB3 SER 13 HB1 SER 13 -6.711 -2.052 -6.495 99 HG SER 13 HG SER 13 -4.621 -3.074 -7.853 100 H GLY 14 HN GLY 14 -6.512 -0.521 -3.556 101 HA2 GLY 14 HA2 GLY 14 -5.336 1.881 -4.790 102 HA3 GLY 14 HA1 GLY 14 -6.855 1.827 -3.911 103 H CYS 15 HN CYS 15 -3.360 1.375 -3.457 104 HA CYS 15 HA CYS 15 -3.582 2.094 -0.632 105 HB2 CYS 15 HB2 CYS 15 -2.170 0.145 -1.691 106 HB3 CYS 15 HB1 CYS 15 -1.002 1.420 -1.995 107 H CYS 16 HN CYS 16 -1.773 3.587 0.223 108 HA CYS 16 HA CYS 16 -1.901 6.067 -1.292 109 HB2 CYS 16 HB2 CYS 16 -1.685 5.319 1.494 110 HB3 CYS 16 HB1 CYS 16 -0.480 6.533 1.074 111 H ASN 17 HN ASN 17 0.043 7.553 -1.172 112 HA ASN 17 HA ASN 17 1.998 8.126 -2.144 113 HB2 ASN 17 HB2 ASN 17 4.036 7.307 -0.979 114 HB3 ASN 17 HB1 ASN 17 2.777 7.852 0.114 115 HD21 ASN 17 HD21 ASN 17 3.009 6.710 1.896 116 HD22 ASN 17 HD22 ASN 17 3.147 4.990 1.991 117 H SER 18 HN SER 18 4.262 5.838 -2.127 118 HA SER 18 HA SER 18 3.608 4.894 -4.839 119 HB2 SER 18 HB2 SER 18 6.069 4.475 -5.036 120 HB3 SER 18 HB1 SER 18 5.670 6.170 -4.763 121 HG SER 18 HG SER 18 7.302 5.684 -3.366 122 HA PRO 19 HA PRO 19 3.422 1.037 -2.449 123 HB2 PRO 19 HB2 PRO 19 0.823 0.424 -2.866 124 HB3 PRO 19 HB1 PRO 19 1.344 1.586 -1.629 125 HG2 PRO 19 HG2 PRO 19 -0.114 2.081 -4.102 126 HG3 PRO 19 HG1 PRO 19 0.160 3.163 -2.724 127 HD2 PRO 19 HD2 PRO 19 1.604 3.022 -5.265 128 HD3 PRO 19 HD1 PRO 19 1.621 4.295 -4.025 129 H GLY 20 HN GLY 20 4.760 -0.062 -3.882 130 HA2 GLY 20 HA2 GLY 20 4.217 -0.944 -6.457 131 HA3 GLY 20 HA1 GLY 20 5.252 -1.806 -5.332 132 H CYS 21 HN CYS 21 2.883 -2.154 -3.454 133 HA CYS 21 HA CYS 21 1.377 -3.742 -2.888 134 HB2 CYS 21 HB2 CYS 21 0.479 -3.557 -5.787 135 HB3 CYS 21 HB1 CYS 21 -0.496 -4.075 -4.415 136 H ILE 22 HN ILE 22 1.846 -5.707 -2.394 137 HA ILE 22 HA ILE 22 2.535 -7.616 -4.517 138 HB ILE 22 HB ILE 22 3.813 -8.211 -1.928 139 HG12 ILE 22 HG12 ILE 22 4.861 -5.915 -3.624 140 HG13 ILE 22 HG11 ILE 22 4.167 -5.750 -2.017 141 HG21 ILE 22 HG21 ILE 22 4.093 -9.578 -3.929 142 HG22 ILE 22 HG22 ILE 22 5.638 -8.904 -3.413 143 HG23 ILE 22 HG23 ILE 22 4.785 -8.202 -4.786 144 HD11 ILE 22 HD11 ILE 22 6.743 -7.153 -2.724 145 HD12 ILE 22 HD12 ILE 22 6.043 -7.077 -1.110 146 HD13 ILE 22 HD13 ILE 22 6.572 -5.598 -1.909 147 H PHE 23 HN PHE 23 2.568 -9.967 -3.182 148 HA PHE 23 HA PHE 23 -0.213 -10.317 -2.567 149 HB2 PHE 23 HB2 PHE 23 1.393 -11.900 -3.869 150 HB3 PHE 23 HB1 PHE 23 1.838 -12.489 -2.272 151 HD1 PHE 23 HD1 PHE 23 0.266 -13.744 -0.926 152 HD2 PHE 23 HD2 PHE 23 -0.802 -12.318 -4.791 153 HE1 PHE 23 HE1 PHE 23 -1.684 -15.244 -0.936 154 HE2 PHE 23 HE2 PHE 23 -2.756 -13.815 -4.807 155 HZ PHE 23 HZ PHE 23 -3.198 -15.281 -2.878 156 H GLY 24 HN GLY 24 -0.688 -9.320 -0.638 157 HA2 GLY 24 HA2 GLY 24 -1.263 -9.960 1.607 158 HA3 GLY 24 HA1 GLY 24 0.290 -10.752 1.738 159 H ILE 25 HN ILE 25 0.607 -7.616 0.339 160 HA ILE 25 HA ILE 25 0.599 -6.022 2.665 161 HB ILE 25 HB ILE 25 3.255 -5.654 2.492 162 HG12 ILE 25 HG12 ILE 25 4.333 -7.958 2.621 163 HG13 ILE 25 HG11 ILE 25 2.873 -8.571 1.849 164 HG21 ILE 25 HG21 ILE 25 1.897 -6.052 4.528 165 HG22 ILE 25 HG22 ILE 25 3.497 -6.790 4.576 166 HG23 ILE 25 HG23 ILE 25 2.077 -7.784 4.254 167 HD11 ILE 25 HD11 ILE 25 4.743 -6.507 0.720 168 HD12 ILE 25 HD12 ILE 25 3.263 -7.089 -0.046 169 HD13 ILE 25 HD13 ILE 25 4.614 -8.197 0.222 170 H CYS 26 HN CYS 26 0.700 -3.887 2.145 171 HA CYS 26 HA CYS 26 0.862 -3.113 -0.594 172 HB2 CYS 26 HB2 CYS 26 -0.707 -1.953 0.821 173 HB3 CYS 26 HB1 CYS 26 0.556 -1.532 1.969 174 H ALA 27 HN ALA 27 2.841 -3.325 -1.491 175 HA ALA 27 HA ALA 27 4.988 -2.898 -2.080 176 HB1 ALA 27 HB1 ALA 27 4.937 -0.641 -2.203 177 HB2 ALA 27 HB2 ALA 27 5.981 -0.747 -0.788 178 HB3 ALA 27 HB3 ALA 27 4.252 -0.460 -0.592 Start of MODEL 11 1 H1 CYS 1 HT1 CYS 1 -7.039 4.704 2.236 2 H2 CYS 1 HT2 CYS 1 -7.103 6.348 1.846 3 H3 CYS 1 HT3 CYS 1 -7.072 5.865 3.467 4 HA CYS 1 HA CYS 1 -4.894 5.464 1.503 5 HB2 CYS 1 HB2 CYS 1 -5.492 7.596 3.477 6 HB3 CYS 1 HB1 CYS 1 -3.820 7.050 3.401 7 H ILE 2 HN ILE 2 -3.338 4.095 2.072 8 HA ILE 2 HA ILE 2 -3.110 3.189 4.834 9 HB ILE 2 HB ILE 2 -2.764 0.808 3.935 10 HG12 ILE 2 HG12 ILE 2 -4.799 1.480 1.847 11 HG13 ILE 2 HG11 ILE 2 -3.112 1.793 1.478 12 HG21 ILE 2 HG21 ILE 2 -5.155 0.304 4.243 13 HG22 ILE 2 HG22 ILE 2 -5.515 2.026 4.111 14 HG23 ILE 2 HG23 ILE 2 -4.535 1.429 5.451 15 HD11 ILE 2 HD11 ILE 2 -2.592 -0.570 1.890 16 HD12 ILE 2 HD12 ILE 2 -3.797 -0.362 0.624 17 HD13 ILE 2 HD13 ILE 2 -4.296 -0.871 2.235 18 HA PRO 3 HA PRO 3 1.205 3.454 3.721 19 HB2 PRO 3 HB2 PRO 3 2.336 2.567 5.998 20 HB3 PRO 3 HB1 PRO 3 1.462 4.109 5.931 21 HG2 PRO 3 HG2 PRO 3 0.586 1.492 7.035 22 HG3 PRO 3 HG1 PRO 3 0.279 3.134 7.634 23 HD2 PRO 3 HD2 PRO 3 -1.512 1.618 6.146 24 HD3 PRO 3 HD1 PRO 3 -1.571 3.379 6.347 25 H ARG 4 HN ARG 4 3.210 2.166 3.694 26 HA ARG 4 HA ARG 4 3.131 -0.178 2.234 27 HB2 ARG 4 HB2 ARG 4 5.111 1.515 3.414 28 HB3 ARG 4 HB1 ARG 4 5.537 -0.148 3.778 29 HG2 ARG 4 HG2 ARG 4 6.646 0.160 1.804 30 HG3 ARG 4 HG1 ARG 4 5.124 -0.499 1.214 31 HD2 ARG 4 HD2 ARG 4 5.822 1.406 -0.131 32 HD3 ARG 4 HD1 ARG 4 4.332 1.776 0.729 33 HE ARG 4 HE ARG 4 6.292 2.739 2.359 34 HH11 ARG 4 HH11 ARG 4 5.496 3.289 -1.017 35 HH12 ARG 4 HH12 ARG 4 6.125 4.903 -1.020 36 HH21 ARG 4 HH21 ARG 4 7.108 4.853 2.331 37 HH22 ARG 4 HH22 ARG 4 7.036 5.787 0.874 38 H GLY 5 HN GLY 5 2.495 -2.128 2.719 39 HA2 GLY 5 HA2 GLY 5 2.847 -4.189 3.887 40 HA3 GLY 5 HA1 GLY 5 3.161 -3.270 5.350 41 H GLY 6 HN GLY 6 0.508 -2.632 3.152 42 HA2 GLY 6 HA2 GLY 6 -1.373 -3.599 5.207 43 HA3 GLY 6 HA1 GLY 6 -1.616 -2.094 4.334 44 H ILE 7 HN ILE 7 -0.294 -4.600 2.460 45 HA ILE 7 HA ILE 7 -1.026 -5.961 0.791 46 HB ILE 7 HB ILE 7 -3.873 -5.952 1.830 47 HG12 ILE 7 HG12 ILE 7 -3.013 -8.277 2.847 48 HG13 ILE 7 HG11 ILE 7 -1.531 -7.365 3.049 49 HG21 ILE 7 HG21 ILE 7 -3.718 -6.998 -0.262 50 HG22 ILE 7 HG22 ILE 7 -3.733 -8.324 0.900 51 HG23 ILE 7 HG23 ILE 7 -2.215 -7.818 0.159 52 HD11 ILE 7 HD11 ILE 7 -2.787 -5.689 4.351 53 HD12 ILE 7 HD12 ILE 7 -2.847 -7.300 5.064 54 HD13 ILE 7 HD13 ILE 7 -4.235 -6.677 4.173 55 H CYS 8 HN CYS 8 -1.295 -5.299 -1.243 56 HA CYS 8 HA CYS 8 -3.441 -3.411 -1.864 57 HB2 CYS 8 HB2 CYS 8 -1.595 -1.916 -1.596 58 HB3 CYS 8 HB1 CYS 8 -0.514 -2.987 -2.469 59 H LEU 9 HN LEU 9 -1.610 -6.142 -2.758 60 HA LEU 9 HA LEU 9 -2.716 -6.076 -5.491 61 HB2 LEU 9 HB2 LEU 9 -0.173 -6.360 -5.031 62 HB3 LEU 9 HB1 LEU 9 -0.597 -7.993 -4.568 63 HG LEU 9 HG LEU 9 -1.755 -8.008 -6.954 64 HD11 LEU 9 HD11 LEU 9 0.492 -6.038 -7.350 65 HD12 LEU 9 HD12 LEU 9 -1.223 -5.628 -7.388 66 HD13 LEU 9 HD13 LEU 9 -0.552 -6.724 -8.595 67 HD21 LEU 9 HD21 LEU 9 -0.017 -9.540 -6.230 68 HD22 LEU 9 HD22 LEU 9 1.211 -8.302 -6.498 69 HD23 LEU 9 HD23 LEU 9 0.313 -8.963 -7.864 70 H VAL 10 HN VAL 10 -2.716 -7.767 -2.476 71 HA VAL 10 HA VAL 10 -4.225 -10.008 -3.603 72 HB VAL 10 HB VAL 10 -2.992 -9.713 -0.836 73 HG11 VAL 10 HG11 VAL 10 -3.994 -12.270 -2.095 74 HG12 VAL 10 HG12 VAL 10 -4.945 -11.303 -0.968 75 HG13 VAL 10 HG13 VAL 10 -3.424 -12.023 -0.445 76 HG21 VAL 10 HG21 VAL 10 -1.301 -9.811 -2.596 77 HG22 VAL 10 HG22 VAL 10 -1.993 -11.329 -3.179 78 HG23 VAL 10 HG23 VAL 10 -1.279 -11.246 -1.570 79 H ALA 11 HN ALA 11 -4.735 -7.115 -1.810 80 HA ALA 11 HA ALA 11 -7.474 -7.995 -1.232 81 HB1 ALA 11 HB1 ALA 11 -5.891 -6.279 0.653 82 HB2 ALA 11 HB2 ALA 11 -6.076 -8.024 0.824 83 HB3 ALA 11 HB3 ALA 11 -7.491 -6.972 0.918 84 H LEU 12 HN LEU 12 -5.418 -5.124 -1.467 85 HA LEU 12 HA LEU 12 -7.761 -3.573 -2.328 86 HB2 LEU 12 HB2 LEU 12 -6.091 -2.933 -0.364 87 HB3 LEU 12 HB1 LEU 12 -5.162 -2.263 -1.688 88 HG LEU 12 HG LEU 12 -7.385 -1.041 -2.303 89 HD11 LEU 12 HD11 LEU 12 -8.764 -0.497 -0.359 90 HD12 LEU 12 HD12 LEU 12 -7.833 -1.630 0.620 91 HD13 LEU 12 HD13 LEU 12 -8.811 -2.222 -0.722 92 HD21 LEU 12 HD21 LEU 12 -6.680 0.857 -1.101 93 HD22 LEU 12 HD22 LEU 12 -5.212 -0.067 -1.422 94 HD23 LEU 12 HD23 LEU 12 -5.961 -0.121 0.175 95 H SER 13 HN SER 13 -6.286 -1.458 -3.607 96 HA SER 13 HA SER 13 -5.090 -2.785 -5.930 97 HB2 SER 13 HB2 SER 13 -7.511 -2.273 -6.365 98 HB3 SER 13 HB1 SER 13 -7.125 -0.564 -6.170 99 HG SER 13 HG SER 13 -6.221 -0.547 -8.080 100 H GLY 14 HN GLY 14 -5.389 0.058 -3.943 101 HA2 GLY 14 HA2 GLY 14 -2.742 0.940 -4.708 102 HA3 GLY 14 HA1 GLY 14 -4.025 2.031 -5.204 103 H CYS 15 HN CYS 15 -1.736 1.986 -3.107 104 HA CYS 15 HA CYS 15 -3.283 2.599 -0.704 105 HB2 CYS 15 HB2 CYS 15 -0.276 2.500 -0.943 106 HB3 CYS 15 HB1 CYS 15 -1.236 2.424 0.521 107 H CYS 16 HN CYS 16 -1.561 4.401 0.563 108 HA CYS 16 HA CYS 16 -2.292 6.853 -0.783 109 HB2 CYS 16 HB2 CYS 16 -2.361 6.183 1.790 110 HB3 CYS 16 HB1 CYS 16 -0.757 6.904 1.751 111 H ASN 17 HN ASN 17 0.707 5.266 0.155 112 HA ASN 17 HA ASN 17 2.311 7.448 -0.950 113 HB2 ASN 17 HB2 ASN 17 3.109 4.935 0.544 114 HB3 ASN 17 HB1 ASN 17 4.256 6.125 -0.058 115 HD21 ASN 17 HD21 ASN 17 2.348 5.192 2.519 116 HD22 ASN 17 HD22 ASN 17 2.463 6.633 3.466 117 H SER 18 HN SER 18 4.370 5.068 -1.436 118 HA SER 18 HA SER 18 3.634 4.647 -4.249 119 HB2 SER 18 HB2 SER 18 5.874 5.650 -3.719 120 HB3 SER 18 HB1 SER 18 6.299 4.148 -2.900 121 HG SER 18 HG SER 18 6.969 4.368 -5.170 122 HA PRO 19 HA PRO 19 2.855 0.520 -2.562 123 HB2 PRO 19 HB2 PRO 19 0.346 0.184 -3.488 124 HB3 PRO 19 HB1 PRO 19 0.718 1.148 -2.047 125 HG2 PRO 19 HG2 PRO 19 -0.180 2.038 -4.691 126 HG3 PRO 19 HG1 PRO 19 -0.230 2.889 -3.139 127 HD2 PRO 19 HD2 PRO 19 1.711 3.149 -5.272 128 HD3 PRO 19 HD1 PRO 19 1.560 4.099 -3.780 129 H GLY 20 HN GLY 20 4.393 -0.458 -3.889 130 HA2 GLY 20 HA2 GLY 20 3.987 -1.135 -6.614 131 HA3 GLY 20 HA1 GLY 20 5.083 -1.969 -5.521 132 H CYS 21 HN CYS 21 2.656 -2.388 -3.694 133 HA CYS 21 HA CYS 21 1.238 -4.038 -3.115 134 HB2 CYS 21 HB2 CYS 21 0.291 -4.165 -5.986 135 HB3 CYS 21 HB1 CYS 21 -0.669 -4.264 -4.511 136 H ILE 22 HN ILE 22 2.039 -5.919 -2.536 137 HA ILE 22 HA ILE 22 2.728 -7.840 -4.657 138 HB ILE 22 HB ILE 22 4.222 -8.307 -2.179 139 HG12 ILE 22 HG12 ILE 22 5.033 -5.923 -3.869 140 HG13 ILE 22 HG11 ILE 22 4.232 -5.775 -2.311 141 HG21 ILE 22 HG21 ILE 22 5.056 -8.072 -5.070 142 HG22 ILE 22 HG22 ILE 22 4.499 -9.549 -4.284 143 HG23 ILE 22 HG23 ILE 22 6.002 -8.787 -3.764 144 HD11 ILE 22 HD11 ILE 22 6.945 -6.994 -2.810 145 HD12 ILE 22 HD12 ILE 22 6.146 -6.888 -1.244 146 HD13 ILE 22 HD13 ILE 22 6.618 -5.418 -2.092 147 H PHE 23 HN PHE 23 3.368 -9.843 -2.423 148 HA PHE 23 HA PHE 23 0.654 -10.810 -2.223 149 HB2 PHE 23 HB2 PHE 23 2.821 -12.154 -2.810 150 HB3 PHE 23 HB1 PHE 23 2.962 -12.294 -1.063 151 HD1 PHE 23 HD1 PHE 23 1.380 -13.607 0.212 152 HD2 PHE 23 HD2 PHE 23 1.038 -13.256 -4.017 153 HE1 PHE 23 HE1 PHE 23 -0.188 -15.503 0.185 154 HE2 PHE 23 HE2 PHE 23 -0.531 -15.151 -4.051 155 HZ PHE 23 HZ PHE 23 -1.146 -16.277 -1.948 156 H GLY 24 HN GLY 24 -0.483 -9.798 -0.686 157 HA2 GLY 24 HA2 GLY 24 -1.382 -9.551 1.417 158 HA3 GLY 24 HA1 GLY 24 -0.136 -10.620 2.022 159 H ILE 25 HN ILE 25 0.603 -7.612 0.354 160 HA ILE 25 HA ILE 25 0.833 -5.940 2.612 161 HB ILE 25 HB ILE 25 3.481 -5.743 2.317 162 HG12 ILE 25 HG12 ILE 25 4.479 -8.074 2.307 163 HG13 ILE 25 HG11 ILE 25 2.942 -8.644 1.666 164 HG21 ILE 25 HG21 ILE 25 2.134 -6.207 4.399 165 HG22 ILE 25 HG22 ILE 25 3.775 -6.847 4.369 166 HG23 ILE 25 HG23 ILE 25 2.405 -7.919 4.080 167 HD11 ILE 25 HD11 ILE 25 4.504 -6.469 0.324 168 HD12 ILE 25 HD12 ILE 25 3.223 -7.493 -0.340 169 HD13 ILE 25 HD13 ILE 25 4.811 -8.184 0.015 170 H CYS 26 HN CYS 26 1.026 -3.868 1.988 171 HA CYS 26 HA CYS 26 1.091 -3.214 -0.796 172 HB2 CYS 26 HB2 CYS 26 -0.482 -2.070 0.617 173 HB3 CYS 26 HB1 CYS 26 0.784 -1.592 1.737 174 H ALA 27 HN ALA 27 3.097 -3.442 -1.681 175 HA ALA 27 HA ALA 27 5.235 -2.974 -2.287 176 HB1 ALA 27 HB1 ALA 27 4.376 -0.516 -0.984 177 HB2 ALA 27 HB2 ALA 27 5.319 -0.741 -2.453 178 HB3 ALA 27 HB3 ALA 27 6.117 -0.768 -0.886 Start of MODEL 12 1 H1 CYS 1 HT1 CYS 1 -6.740 5.798 4.198 2 H2 CYS 1 HT2 CYS 1 -7.365 4.307 3.702 3 H3 CYS 1 HT3 CYS 1 -7.519 5.662 2.702 4 HA CYS 1 HA CYS 1 -5.793 4.190 1.900 5 HB2 CYS 1 HB2 CYS 1 -5.648 6.699 1.654 6 HB3 CYS 1 HB1 CYS 1 -4.586 6.710 3.057 7 H ILE 2 HN ILE 2 -3.664 3.282 2.199 8 HA ILE 2 HA ILE 2 -2.891 2.951 5.010 9 HB ILE 2 HB ILE 2 -2.060 0.584 4.095 10 HG12 ILE 2 HG12 ILE 2 -4.760 0.667 2.789 11 HG13 ILE 2 HG11 ILE 2 -3.363 1.220 1.877 12 HG21 ILE 2 HG21 ILE 2 -4.050 -0.385 5.191 13 HG22 ILE 2 HG22 ILE 2 -4.797 1.213 5.189 14 HG23 ILE 2 HG23 ILE 2 -3.322 0.929 6.113 15 HD11 ILE 2 HD11 ILE 2 -3.980 -1.142 1.462 16 HD12 ILE 2 HD12 ILE 2 -3.586 -1.505 3.142 17 HD13 ILE 2 HD13 ILE 2 -2.327 -0.937 2.042 18 HA PRO 3 HA PRO 3 1.239 3.673 3.470 19 HB2 PRO 3 HB2 PRO 3 2.561 2.754 5.796 20 HB3 PRO 3 HB1 PRO 3 1.949 4.391 5.515 21 HG2 PRO 3 HG2 PRO 3 1.016 2.587 7.434 22 HG3 PRO 3 HG1 PRO 3 0.223 4.087 6.920 23 HD2 PRO 3 HD2 PRO 3 -0.331 1.280 6.094 24 HD3 PRO 3 HD1 PRO 3 -1.447 2.644 6.306 25 H ARG 4 HN ARG 4 3.527 2.181 4.489 26 HA ARG 4 HA ARG 4 3.506 -0.068 2.650 27 HB2 ARG 4 HB2 ARG 4 5.481 1.756 3.731 28 HB3 ARG 4 HB1 ARG 4 6.000 0.093 3.943 29 HG2 ARG 4 HG2 ARG 4 6.912 0.654 1.900 30 HG3 ARG 4 HG1 ARG 4 5.423 -0.166 1.438 31 HD2 ARG 4 HD2 ARG 4 4.341 1.888 0.943 32 HD3 ARG 4 HD1 ARG 4 5.616 2.827 1.720 33 HE ARG 4 HE ARG 4 6.033 1.293 -0.767 34 HH11 ARG 4 HH11 ARG 4 6.540 4.202 1.142 35 HH12 ARG 4 HH12 ARG 4 7.535 4.952 -0.060 36 HH21 ARG 4 HH21 ARG 4 7.349 2.295 -2.317 37 HH22 ARG 4 HH22 ARG 4 7.991 3.875 -2.013 38 H GLY 5 HN GLY 5 3.198 -2.081 3.257 39 HA2 GLY 5 HA2 GLY 5 3.771 -3.984 4.616 40 HA3 GLY 5 HA1 GLY 5 3.899 -2.905 5.999 41 H GLY 6 HN GLY 6 1.321 -2.955 3.609 42 HA2 GLY 6 HA2 GLY 6 -0.560 -3.725 5.745 43 HA3 GLY 6 HA1 GLY 6 -0.947 -2.602 4.450 44 H ILE 7 HN ILE 7 -1.543 -3.345 2.472 45 HA ILE 7 HA ILE 7 -1.271 -5.870 1.358 46 HB ILE 7 HB ILE 7 -3.804 -6.578 1.494 47 HG12 ILE 7 HG12 ILE 7 -4.619 -6.429 3.935 48 HG13 ILE 7 HG11 ILE 7 -3.551 -5.052 4.095 49 HG21 ILE 7 HG21 ILE 7 -1.984 -7.243 3.787 50 HG22 ILE 7 HG22 ILE 7 -1.889 -7.942 2.172 51 HG23 ILE 7 HG23 ILE 7 -3.316 -8.219 3.169 52 HD11 ILE 7 HD11 ILE 7 -4.783 -3.948 2.250 53 HD12 ILE 7 HD12 ILE 7 -5.792 -4.311 3.650 54 HD13 ILE 7 HD13 ILE 7 -5.882 -5.327 2.211 55 H CYS 8 HN CYS 8 -1.886 -5.758 -0.769 56 HA CYS 8 HA CYS 8 -3.935 -3.900 -1.602 57 HB2 CYS 8 HB2 CYS 8 -2.090 -2.361 -1.457 58 HB3 CYS 8 HB1 CYS 8 -1.042 -3.470 -2.323 59 H LEU 9 HN LEU 9 -1.217 -5.687 -3.053 60 HA LEU 9 HA LEU 9 -2.615 -6.310 -5.452 61 HB2 LEU 9 HB2 LEU 9 -0.038 -6.330 -4.876 62 HB3 LEU 9 HB1 LEU 9 -0.351 -8.012 -4.507 63 HG LEU 9 HG LEU 9 -1.440 -7.999 -6.920 64 HD11 LEU 9 HD11 LEU 9 -0.208 -6.552 -8.456 65 HD12 LEU 9 HD12 LEU 9 0.585 -5.770 -7.089 66 HD13 LEU 9 HD13 LEU 9 -1.158 -5.612 -7.306 67 HD21 LEU 9 HD21 LEU 9 0.697 -8.757 -7.822 68 HD22 LEU 9 HD22 LEU 9 0.423 -9.403 -6.204 69 HD23 LEU 9 HD23 LEU 9 1.537 -8.056 -6.438 70 H VAL 10 HN VAL 10 -3.094 -7.502 -2.412 71 HA VAL 10 HA VAL 10 -3.854 -10.180 -3.284 72 HB VAL 10 HB VAL 10 -2.373 -10.064 -1.344 73 HG11 VAL 10 HG11 VAL 10 -4.546 -8.424 -0.073 74 HG12 VAL 10 HG12 VAL 10 -2.861 -7.979 -0.354 75 HG13 VAL 10 HG13 VAL 10 -3.263 -9.214 0.841 76 HG21 VAL 10 HG21 VAL 10 -3.696 -11.420 0.272 77 HG22 VAL 10 HG22 VAL 10 -3.809 -11.978 -1.397 78 HG23 VAL 10 HG23 VAL 10 -5.138 -11.067 -0.680 79 H ALA 11 HN ALA 11 -5.242 -7.180 -2.170 80 HA ALA 11 HA ALA 11 -7.917 -8.241 -2.665 81 HB1 ALA 11 HB1 ALA 11 -8.852 -7.371 -0.615 82 HB2 ALA 11 HB2 ALA 11 -7.272 -6.757 -0.129 83 HB3 ALA 11 HB3 ALA 11 -7.544 -8.495 -0.246 84 H LEU 12 HN LEU 12 -6.055 -5.361 -1.859 85 HA LEU 12 HA LEU 12 -8.061 -3.578 -2.956 86 HB2 LEU 12 HB2 LEU 12 -6.044 -3.379 -1.025 87 HB3 LEU 12 HB1 LEU 12 -5.517 -2.333 -2.327 88 HG LEU 12 HG LEU 12 -8.304 -2.079 -1.243 89 HD11 LEU 12 HD11 LEU 12 -5.823 -0.852 -0.050 90 HD12 LEU 12 HD12 LEU 12 -6.875 -2.044 0.716 91 HD13 LEU 12 HD13 LEU 12 -7.482 -0.425 0.368 92 HD21 LEU 12 HD21 LEU 12 -7.927 0.293 -1.877 93 HD22 LEU 12 HD22 LEU 12 -7.819 -0.820 -3.239 94 HD23 LEU 12 HD23 LEU 12 -6.349 -0.165 -2.518 95 H SER 13 HN SER 13 -6.459 -1.566 -4.082 96 HA SER 13 HA SER 13 -5.185 -2.825 -6.404 97 HB2 SER 13 HB2 SER 13 -7.229 -0.597 -6.536 98 HB3 SER 13 HB1 SER 13 -6.306 -1.214 -7.907 99 HG SER 13 HG SER 13 -8.586 -2.135 -6.937 100 H GLY 14 HN GLY 14 -5.381 -0.220 -4.153 101 HA2 GLY 14 HA2 GLY 14 -2.705 0.629 -4.750 102 HA3 GLY 14 HA1 GLY 14 -3.905 1.815 -5.238 103 H CYS 15 HN CYS 15 -1.882 2.242 -3.311 104 HA CYS 15 HA CYS 15 -3.528 2.766 -0.933 105 HB2 CYS 15 HB2 CYS 15 -0.630 1.935 -0.785 106 HB3 CYS 15 HB1 CYS 15 -1.755 2.120 0.549 107 H CYS 16 HN CYS 16 -1.129 3.927 0.422 108 HA CYS 16 HA CYS 16 -1.286 6.578 -0.742 109 HB2 CYS 16 HB2 CYS 16 -0.201 5.443 1.814 110 HB3 CYS 16 HB1 CYS 16 0.256 7.065 1.311 111 H ASN 17 HN ASN 17 0.659 7.924 -0.970 112 HA ASN 17 HA ASN 17 2.449 8.410 -2.294 113 HB2 ASN 17 HB2 ASN 17 4.628 7.311 -1.377 114 HB3 ASN 17 HB1 ASN 17 3.706 8.393 -0.348 115 HD21 ASN 17 HD21 ASN 17 4.582 5.063 -0.949 116 HD22 ASN 17 HD22 ASN 17 4.119 4.463 0.599 117 H SER 18 HN SER 18 4.549 5.851 -2.284 118 HA SER 18 HA SER 18 3.586 4.897 -4.896 119 HB2 SER 18 HB2 SER 18 6.403 4.930 -3.782 120 HB3 SER 18 HB1 SER 18 5.942 4.318 -5.370 121 HG SER 18 HG SER 18 6.593 6.771 -4.765 122 HA PRO 19 HA PRO 19 3.341 1.136 -2.341 123 HB2 PRO 19 HB2 PRO 19 0.690 0.652 -2.562 124 HB3 PRO 19 HB1 PRO 19 1.362 1.817 -1.405 125 HG2 PRO 19 HG2 PRO 19 -0.202 2.312 -3.824 126 HG3 PRO 19 HG1 PRO 19 0.125 3.385 -2.453 127 HD2 PRO 19 HD2 PRO 19 1.447 3.290 -5.037 128 HD3 PRO 19 HD1 PRO 19 1.630 4.482 -3.735 129 H GLY 20 HN GLY 20 4.529 -0.033 -3.779 130 HA2 GLY 20 HA2 GLY 20 3.930 -0.852 -6.357 131 HA3 GLY 20 HA1 GLY 20 4.967 -1.742 -5.262 132 H CYS 21 HN CYS 21 2.618 -2.193 -3.378 133 HA CYS 21 HA CYS 21 1.058 -3.785 -2.923 134 HB2 CYS 21 HB2 CYS 21 0.355 -3.610 -5.878 135 HB3 CYS 21 HB1 CYS 21 -0.670 -4.249 -4.599 136 H ILE 22 HN ILE 22 1.693 -5.653 -2.349 137 HA ILE 22 HA ILE 22 2.507 -7.621 -4.373 138 HB ILE 22 HB ILE 22 3.748 -7.998 -1.715 139 HG12 ILE 22 HG12 ILE 22 4.866 -5.863 -3.565 140 HG13 ILE 22 HG11 ILE 22 3.985 -5.507 -2.086 141 HG21 ILE 22 HG21 ILE 22 4.775 -8.183 -4.550 142 HG22 ILE 22 HG22 ILE 22 4.126 -9.509 -3.586 143 HG23 ILE 22 HG23 ILE 22 5.635 -8.730 -3.109 144 HD11 ILE 22 HD11 ILE 22 6.721 -6.664 -2.425 145 HD12 ILE 22 HD12 ILE 22 5.813 -6.938 -0.941 146 HD13 ILE 22 HD13 ILE 22 6.195 -5.293 -1.447 147 H PHE 23 HN PHE 23 2.335 -9.917 -3.421 148 HA PHE 23 HA PHE 23 -0.334 -10.242 -2.480 149 HB2 PHE 23 HB2 PHE 23 1.079 -11.767 -4.050 150 HB3 PHE 23 HB1 PHE 23 1.662 -12.484 -2.552 151 HD1 PHE 23 HD1 PHE 23 -1.211 -12.056 -4.769 152 HD2 PHE 23 HD2 PHE 23 0.192 -13.798 -1.147 153 HE1 PHE 23 HE1 PHE 23 -3.205 -13.495 -4.692 154 HE2 PHE 23 HE2 PHE 23 -1.799 -15.240 -1.066 155 HZ PHE 23 HZ PHE 23 -3.501 -15.091 -2.840 156 H GLY 24 HN GLY 24 -0.515 -9.314 -0.439 157 HA2 GLY 24 HA2 GLY 24 -0.815 -10.383 1.801 158 HA3 GLY 24 HA1 GLY 24 0.891 -10.767 1.715 159 H ILE 25 HN ILE 25 0.927 -7.755 0.438 160 HA ILE 25 HA ILE 25 0.448 -6.086 2.688 161 HB ILE 25 HB ILE 25 3.076 -5.467 2.759 162 HG12 ILE 25 HG12 ILE 25 4.396 -7.574 3.054 163 HG13 ILE 25 HG11 ILE 25 3.044 -8.471 2.372 164 HG21 ILE 25 HG21 ILE 25 1.745 -7.548 4.474 165 HG22 ILE 25 HG22 ILE 25 1.668 -5.799 4.688 166 HG23 ILE 25 HG23 ILE 25 3.201 -6.646 4.897 167 HD11 ILE 25 HD11 ILE 25 4.752 -6.417 1.004 168 HD12 ILE 25 HD12 ILE 25 3.269 -7.088 0.317 169 HD13 ILE 25 HD13 ILE 25 4.646 -8.146 0.654 170 H CYS 26 HN CYS 26 0.480 -3.925 2.065 171 HA CYS 26 HA CYS 26 0.902 -3.434 -0.737 172 HB2 CYS 26 HB2 CYS 26 -1.007 -2.471 0.611 173 HB3 CYS 26 HB1 CYS 26 0.170 -1.399 1.365 174 H ALA 27 HN ALA 27 3.032 -3.543 -1.200 175 HA ALA 27 HA ALA 27 5.179 -2.899 -1.509 176 HB1 ALA 27 HB1 ALA 27 4.088 -0.332 -0.403 177 HB2 ALA 27 HB2 ALA 27 4.552 -0.723 -2.058 178 HB3 ALA 27 HB3 ALA 27 5.792 -0.506 -0.828 Start of MODEL 13 1 H1 CYS 1 HT1 CYS 1 -7.341 6.135 1.690 2 H2 CYS 1 HT2 CYS 1 -7.282 5.820 3.350 3 H3 CYS 1 HT3 CYS 1 -7.275 4.538 2.247 4 HA CYS 1 HA CYS 1 -5.140 5.210 1.400 5 HB2 CYS 1 HB2 CYS 1 -5.690 7.529 3.168 6 HB3 CYS 1 HB1 CYS 1 -4.024 6.967 3.109 7 H ILE 2 HN ILE 2 -3.592 3.884 2.071 8 HA ILE 2 HA ILE 2 -3.349 3.248 4.914 9 HB ILE 2 HB ILE 2 -2.780 0.817 3.664 10 HG12 ILE 2 HG12 ILE 2 -5.233 0.376 2.783 11 HG13 ILE 2 HG11 ILE 2 -5.204 2.102 2.446 12 HG21 ILE 2 HG21 ILE 2 -3.619 0.942 5.861 13 HG22 ILE 2 HG22 ILE 2 -4.813 0.049 4.920 14 HG23 ILE 2 HG23 ILE 2 -5.099 1.740 5.330 15 HD11 ILE 2 HD11 ILE 2 -3.081 1.664 1.150 16 HD12 ILE 2 HD12 ILE 2 -4.574 1.043 0.454 17 HD13 ILE 2 HD13 ILE 2 -3.465 -0.049 1.284 18 HA PRO 3 HA PRO 3 0.996 3.522 3.989 19 HB2 PRO 3 HB2 PRO 3 1.790 1.700 6.093 20 HB3 PRO 3 HB1 PRO 3 1.825 3.470 6.103 21 HG2 PRO 3 HG2 PRO 3 0.177 1.990 7.679 22 HG3 PRO 3 HG1 PRO 3 -0.182 3.643 7.145 23 HD2 PRO 3 HD2 PRO 3 -1.195 1.048 6.052 24 HD3 PRO 3 HD1 PRO 3 -2.060 2.571 6.340 25 H ARG 4 HN ARG 4 3.022 2.285 3.693 26 HA ARG 4 HA ARG 4 2.627 -0.018 1.966 27 HB2 ARG 4 HB2 ARG 4 4.932 1.817 2.578 28 HB3 ARG 4 HB1 ARG 4 5.217 0.289 1.765 29 HG2 ARG 4 HG2 ARG 4 4.418 1.047 -0.194 30 HG3 ARG 4 HG1 ARG 4 3.071 1.891 0.557 31 HD2 ARG 4 HD2 ARG 4 4.444 3.538 -0.452 32 HD3 ARG 4 HD1 ARG 4 4.729 3.649 1.282 33 HE ARG 4 HE ARG 4 6.650 1.933 0.205 34 HH11 ARG 4 HH11 ARG 4 5.814 5.340 0.023 35 HH12 ARG 4 HH12 ARG 4 7.441 5.838 -0.303 36 HH21 ARG 4 HH21 ARG 4 8.771 2.609 -0.222 37 HH22 ARG 4 HH22 ARG 4 9.112 4.293 -0.441 38 H GLY 5 HN GLY 5 2.374 -1.845 2.936 39 HA2 GLY 5 HA2 GLY 5 3.911 -3.644 3.915 40 HA3 GLY 5 HA1 GLY 5 3.983 -2.555 5.299 41 H GLY 6 HN GLY 6 1.085 -2.580 3.524 42 HA2 GLY 6 HA2 GLY 6 -0.270 -4.062 5.671 43 HA3 GLY 6 HA1 GLY 6 -0.990 -2.769 4.721 44 H ILE 7 HN ILE 7 -1.256 -3.179 2.388 45 HA ILE 7 HA ILE 7 -1.132 -5.632 1.095 46 HB ILE 7 HB ILE 7 -3.710 -6.118 0.993 47 HG12 ILE 7 HG12 ILE 7 -4.731 -6.029 3.351 48 HG13 ILE 7 HG11 ILE 7 -3.557 -4.779 3.705 49 HG21 ILE 7 HG21 ILE 7 -2.136 -7.063 3.368 50 HG22 ILE 7 HG22 ILE 7 -2.005 -7.694 1.728 51 HG23 ILE 7 HG23 ILE 7 -3.514 -7.874 2.623 52 HD11 ILE 7 HD11 ILE 7 -5.659 -3.780 3.123 53 HD12 ILE 7 HD12 ILE 7 -5.724 -4.697 1.618 54 HD13 ILE 7 HD13 ILE 7 -4.501 -3.446 1.836 55 H CYS 8 HN CYS 8 -1.695 -5.383 -1.077 56 HA CYS 8 HA CYS 8 -3.519 -3.324 -1.914 57 HB2 CYS 8 HB2 CYS 8 -1.655 -1.853 -1.548 58 HB3 CYS 8 HB1 CYS 8 -0.562 -2.945 -2.385 59 H LEU 9 HN LEU 9 -1.682 -6.124 -2.620 60 HA LEU 9 HA LEU 9 -2.697 -6.098 -5.397 61 HB2 LEU 9 HB2 LEU 9 -0.141 -6.277 -4.890 62 HB3 LEU 9 HB1 LEU 9 -0.514 -7.937 -4.484 63 HG LEU 9 HG LEU 9 -1.655 -7.888 -6.890 64 HD11 LEU 9 HD11 LEU 9 -0.456 -6.539 -8.466 65 HD12 LEU 9 HD12 LEU 9 0.597 -5.912 -7.199 66 HD13 LEU 9 HD13 LEU 9 -1.114 -5.484 -7.215 67 HD21 LEU 9 HD21 LEU 9 0.407 -8.827 -7.793 68 HD22 LEU 9 HD22 LEU 9 0.096 -9.425 -6.163 69 HD23 LEU 9 HD23 LEU 9 1.310 -8.173 -6.427 70 H VAL 10 HN VAL 10 -2.936 -7.600 -2.369 71 HA VAL 10 HA VAL 10 -4.061 -10.052 -3.482 72 HB VAL 10 HB VAL 10 -2.298 -10.280 -1.774 73 HG11 VAL 10 HG11 VAL 10 -2.529 -8.413 -0.391 74 HG12 VAL 10 HG12 VAL 10 -2.921 -9.802 0.626 75 HG13 VAL 10 HG13 VAL 10 -4.212 -8.788 -0.015 76 HG21 VAL 10 HG21 VAL 10 -5.010 -11.322 -0.962 77 HG22 VAL 10 HG22 VAL 10 -3.495 -11.844 -0.227 78 HG23 VAL 10 HG23 VAL 10 -3.787 -12.136 -1.941 79 H ALA 11 HN ALA 11 -5.018 -7.148 -1.839 80 HA ALA 11 HA ALA 11 -7.807 -8.050 -1.903 81 HB1 ALA 11 HB1 ALA 11 -6.601 -6.583 0.432 82 HB2 ALA 11 HB2 ALA 11 -7.012 -8.297 0.405 83 HB3 ALA 11 HB3 ALA 11 -8.285 -7.084 0.267 84 H LEU 12 HN LEU 12 -5.658 -5.285 -1.565 85 HA LEU 12 HA LEU 12 -7.745 -3.460 -2.490 86 HB2 LEU 12 HB2 LEU 12 -5.440 -3.253 -0.781 87 HB3 LEU 12 HB1 LEU 12 -5.326 -2.064 -2.065 88 HG LEU 12 HG LEU 12 -7.897 -2.253 -0.575 89 HD11 LEU 12 HD11 LEU 12 -6.912 -0.607 1.079 90 HD12 LEU 12 HD12 LEU 12 -5.329 -1.162 0.532 91 HD13 LEU 12 HD13 LEU 12 -6.451 -2.297 1.280 92 HD21 LEU 12 HD21 LEU 12 -7.655 -0.714 -2.460 93 HD22 LEU 12 HD22 LEU 12 -6.272 0.044 -1.670 94 HD23 LEU 12 HD23 LEU 12 -7.876 0.165 -0.947 95 H SER 13 HN SER 13 -6.333 -1.505 -3.790 96 HA SER 13 HA SER 13 -5.088 -2.835 -6.094 97 HB2 SER 13 HB2 SER 13 -7.166 -0.640 -6.221 98 HB3 SER 13 HB1 SER 13 -6.293 -1.294 -7.606 99 HG SER 13 HG SER 13 -7.509 -3.026 -7.566 100 H GLY 14 HN GLY 14 -5.213 -0.134 -3.946 101 HA2 GLY 14 HA2 GLY 14 -2.570 0.706 -4.667 102 HA3 GLY 14 HA1 GLY 14 -3.788 1.850 -5.206 103 H CYS 15 HN CYS 15 -1.642 2.169 -3.230 104 HA CYS 15 HA CYS 15 -3.234 2.671 -0.815 105 HB2 CYS 15 HB2 CYS 15 -0.218 2.547 -0.943 106 HB3 CYS 15 HB1 CYS 15 -1.227 2.514 0.489 107 H CYS 16 HN CYS 16 -1.586 4.518 0.468 108 HA CYS 16 HA CYS 16 -2.280 6.917 -0.982 109 HB2 CYS 16 HB2 CYS 16 -2.344 6.260 1.651 110 HB3 CYS 16 HB1 CYS 16 -0.860 7.202 1.572 111 H ASN 17 HN ASN 17 0.681 5.368 0.106 112 HA ASN 17 HA ASN 17 2.317 7.540 -0.976 113 HB2 ASN 17 HB2 ASN 17 3.067 5.073 0.614 114 HB3 ASN 17 HB1 ASN 17 4.228 6.266 0.044 115 HD21 ASN 17 HD21 ASN 17 2.168 5.359 2.524 116 HD22 ASN 17 HD22 ASN 17 2.234 6.812 3.458 117 H SER 18 HN SER 18 4.389 5.118 -1.286 118 HA SER 18 HA SER 18 3.803 4.644 -4.125 119 HB2 SER 18 HB2 SER 18 6.361 4.222 -2.555 120 HB3 SER 18 HB1 SER 18 6.173 3.968 -4.290 121 HG SER 18 HG SER 18 5.357 6.331 -4.081 122 HA PRO 19 HA PRO 19 2.811 0.584 -2.376 123 HB2 PRO 19 HB2 PRO 19 0.390 0.268 -3.589 124 HB3 PRO 19 HB1 PRO 19 0.633 1.141 -2.066 125 HG2 PRO 19 HG2 PRO 19 -0.114 2.192 -4.662 126 HG3 PRO 19 HG1 PRO 19 -0.092 3.010 -3.092 127 HD2 PRO 19 HD2 PRO 19 1.891 3.096 -5.238 128 HD3 PRO 19 HD1 PRO 19 1.716 4.150 -3.820 129 H GLY 20 HN GLY 20 4.450 -0.446 -3.521 130 HA2 GLY 20 HA2 GLY 20 4.341 -1.180 -6.248 131 HA3 GLY 20 HA1 GLY 20 5.260 -2.032 -5.013 132 H CYS 21 HN CYS 21 2.709 -2.409 -3.449 133 HA CYS 21 HA CYS 21 1.215 -4.027 -3.009 134 HB2 CYS 21 HB2 CYS 21 0.415 -3.981 -5.928 135 HB3 CYS 21 HB1 CYS 21 -0.620 -4.155 -4.512 136 H ILE 22 HN ILE 22 1.915 -5.888 -2.447 137 HA ILE 22 HA ILE 22 2.588 -7.865 -4.518 138 HB ILE 22 HB ILE 22 3.874 -8.275 -1.877 139 HG12 ILE 22 HG12 ILE 22 4.970 -6.186 -3.794 140 HG13 ILE 22 HG11 ILE 22 4.196 -5.812 -2.260 141 HG21 ILE 22 HG21 ILE 22 4.172 -9.833 -3.725 142 HG22 ILE 22 HG22 ILE 22 5.709 -9.075 -3.316 143 HG23 ILE 22 HG23 ILE 22 4.813 -8.540 -4.737 144 HD11 ILE 22 HD11 ILE 22 6.765 -7.353 -2.619 145 HD12 ILE 22 HD12 ILE 22 5.996 -6.982 -1.079 146 HD13 ILE 22 HD13 ILE 22 6.616 -5.678 -2.087 147 H PHE 23 HN PHE 23 2.645 -10.174 -3.106 148 HA PHE 23 HA PHE 23 -0.126 -10.513 -2.433 149 HB2 PHE 23 HB2 PHE 23 1.432 -12.134 -3.734 150 HB3 PHE 23 HB1 PHE 23 1.942 -12.671 -2.139 151 HD1 PHE 23 HD1 PHE 23 -0.794 -12.592 -4.558 152 HD2 PHE 23 HD2 PHE 23 0.430 -13.894 -0.695 153 HE1 PHE 23 HE1 PHE 23 -2.736 -14.100 -4.455 154 HE2 PHE 23 HE2 PHE 23 -1.509 -15.403 -0.585 155 HZ PHE 23 HZ PHE 23 -3.095 -15.508 -2.467 156 H GLY 24 HN GLY 24 -0.571 -9.480 -0.509 157 HA2 GLY 24 HA2 GLY 24 -1.037 -10.200 1.781 158 HA3 GLY 24 HA1 GLY 24 0.618 -10.752 1.872 159 H ILE 25 HN ILE 25 0.955 -7.828 0.365 160 HA ILE 25 HA ILE 25 0.581 -6.051 2.589 161 HB ILE 25 HB ILE 25 3.223 -5.567 2.593 162 HG12 ILE 25 HG12 ILE 25 4.467 -7.736 2.737 163 HG13 ILE 25 HG11 ILE 25 3.059 -8.538 2.050 164 HG21 ILE 25 HG21 ILE 25 1.894 -7.682 4.266 165 HG22 ILE 25 HG22 ILE 25 1.882 -5.945 4.565 166 HG23 ILE 25 HG23 ILE 25 3.394 -6.846 4.665 167 HD11 ILE 25 HD11 ILE 25 4.706 -6.397 0.725 168 HD12 ILE 25 HD12 ILE 25 3.267 -7.164 0.041 169 HD13 ILE 25 HD13 ILE 25 4.721 -8.126 0.346 170 H CYS 26 HN CYS 26 0.743 -3.899 2.011 171 HA CYS 26 HA CYS 26 0.934 -3.199 -0.731 172 HB2 CYS 26 HB2 CYS 26 -0.521 -1.966 0.768 173 HB3 CYS 26 HB1 CYS 26 0.833 -1.540 1.804 174 H ALA 27 HN ALA 27 2.853 -3.377 -1.753 175 HA ALA 27 HA ALA 27 4.983 -2.940 -2.434 176 HB1 ALA 27 HB1 ALA 27 5.228 -1.006 -0.139 177 HB2 ALA 27 HB2 ALA 27 4.574 -0.600 -1.724 178 HB3 ALA 27 HB3 ALA 27 6.259 -1.096 -1.565 Start of MODEL 14 1 H1 CYS 1 HT1 CYS 1 -6.692 3.695 2.037 2 H2 CYS 1 HT2 CYS 1 -6.957 5.245 1.414 3 H3 CYS 1 HT3 CYS 1 -6.901 5.005 3.088 4 HA CYS 1 HA CYS 1 -4.644 4.619 1.212 5 HB2 CYS 1 HB2 CYS 1 -5.673 6.968 2.507 6 HB3 CYS 1 HB1 CYS 1 -4.086 6.592 3.167 7 H ILE 2 HN ILE 2 -3.057 3.389 1.948 8 HA ILE 2 HA ILE 2 -2.749 2.992 4.834 9 HB ILE 2 HB ILE 2 -2.021 0.536 3.557 10 HG12 ILE 2 HG12 ILE 2 -4.516 -0.147 3.119 11 HG13 ILE 2 HG11 ILE 2 -4.755 1.572 2.835 12 HG21 ILE 2 HG21 ILE 2 -4.137 1.258 5.569 13 HG22 ILE 2 HG22 ILE 2 -2.487 0.732 5.893 14 HG23 ILE 2 HG23 ILE 2 -3.645 -0.390 5.182 15 HD11 ILE 2 HD11 ILE 2 -2.913 1.418 1.122 16 HD12 ILE 2 HD12 ILE 2 -4.413 0.578 0.730 17 HD13 ILE 2 HD13 ILE 2 -3.016 -0.334 1.300 18 HA PRO 3 HA PRO 3 1.545 3.634 3.777 19 HB2 PRO 3 HB2 PRO 3 2.488 2.470 6.250 20 HB3 PRO 3 HB1 PRO 3 2.283 4.185 5.858 21 HG2 PRO 3 HG2 PRO 3 0.797 2.875 7.726 22 HG3 PRO 3 HG1 PRO 3 0.238 4.305 6.834 23 HD2 PRO 3 HD2 PRO 3 -0.358 1.416 6.323 24 HD3 PRO 3 HD1 PRO 3 -1.451 2.817 6.298 25 H ARG 4 HN ARG 4 3.687 2.059 4.941 26 HA ARG 4 HA ARG 4 3.770 -0.136 3.016 27 HB2 ARG 4 HB2 ARG 4 5.702 1.630 4.301 28 HB3 ARG 4 HB1 ARG 4 6.193 -0.050 4.405 29 HG2 ARG 4 HG2 ARG 4 7.208 0.690 2.470 30 HG3 ARG 4 HG1 ARG 4 5.763 -0.123 1.886 31 HD2 ARG 4 HD2 ARG 4 4.647 1.977 1.536 32 HD3 ARG 4 HD1 ARG 4 5.956 2.854 2.330 33 HE ARG 4 HE ARG 4 6.484 1.348 -0.136 34 HH11 ARG 4 HH11 ARG 4 6.363 4.431 1.542 35 HH12 ARG 4 HH12 ARG 4 7.196 5.279 0.283 36 HH21 ARG 4 HH21 ARG 4 7.581 2.477 -1.767 37 HH22 ARG 4 HH22 ARG 4 7.884 4.171 -1.588 38 H GLY 5 HN GLY 5 3.497 -2.181 3.552 39 HA2 GLY 5 HA2 GLY 5 3.860 -4.115 4.886 40 HA3 GLY 5 HA1 GLY 5 4.025 -3.079 6.297 41 H GLY 6 HN GLY 6 1.508 -3.208 3.808 42 HA2 GLY 6 HA2 GLY 6 -0.453 -3.826 5.925 43 HA3 GLY 6 HA1 GLY 6 -0.769 -2.665 4.647 44 H ILE 7 HN ILE 7 -1.313 -3.350 2.617 45 HA ILE 7 HA ILE 7 -1.171 -5.849 1.443 46 HB ILE 7 HB ILE 7 -3.742 -6.442 1.567 47 HG12 ILE 7 HG12 ILE 7 -4.545 -6.336 4.014 48 HG13 ILE 7 HG11 ILE 7 -3.408 -5.018 4.214 49 HG21 ILE 7 HG21 ILE 7 -1.897 -7.925 2.187 50 HG22 ILE 7 HG22 ILE 7 -3.339 -8.165 3.173 51 HG23 ILE 7 HG23 ILE 7 -1.960 -7.284 3.829 52 HD11 ILE 7 HD11 ILE 7 -5.745 -5.111 2.319 53 HD12 ILE 7 HD12 ILE 7 -4.583 -3.790 2.419 54 HD13 ILE 7 HD13 ILE 7 -5.618 -4.159 3.797 55 H CYS 8 HN CYS 8 -1.967 -5.758 -0.656 56 HA CYS 8 HA CYS 8 -3.925 -3.801 -1.406 57 HB2 CYS 8 HB2 CYS 8 -1.957 -2.363 -1.269 58 HB3 CYS 8 HB1 CYS 8 -1.089 -3.443 -2.343 59 H LEU 9 HN LEU 9 -1.281 -5.350 -3.220 60 HA LEU 9 HA LEU 9 -2.850 -6.027 -5.453 61 HB2 LEU 9 HB2 LEU 9 -0.253 -5.988 -5.107 62 HB3 LEU 9 HB1 LEU 9 -0.470 -7.679 -4.710 63 HG LEU 9 HG LEU 9 -1.746 -7.726 -7.025 64 HD11 LEU 9 HD11 LEU 9 0.153 -5.408 -7.365 65 HD12 LEU 9 HD12 LEU 9 -1.607 -5.328 -7.438 66 HD13 LEU 9 HD13 LEU 9 -0.714 -6.232 -8.662 67 HD21 LEU 9 HD21 LEU 9 1.256 -7.654 -6.757 68 HD22 LEU 9 HD22 LEU 9 0.362 -8.365 -8.100 69 HD23 LEU 9 HD23 LEU 9 0.214 -9.051 -6.483 70 H VAL 10 HN VAL 10 -3.037 -7.348 -2.422 71 HA VAL 10 HA VAL 10 -3.684 -10.055 -3.196 72 HB VAL 10 HB VAL 10 -2.432 -9.669 -1.124 73 HG11 VAL 10 HG11 VAL 10 -4.853 -8.127 -0.228 74 HG12 VAL 10 HG12 VAL 10 -3.189 -7.559 -0.381 75 HG13 VAL 10 HG13 VAL 10 -3.613 -8.725 0.874 76 HG21 VAL 10 HG21 VAL 10 -3.712 -11.693 -1.167 77 HG22 VAL 10 HG22 VAL 10 -5.173 -10.841 -0.669 78 HG23 VAL 10 HG23 VAL 10 -3.822 -11.002 0.453 79 H ALA 11 HN ALA 11 -5.359 -7.116 -2.316 80 HA ALA 11 HA ALA 11 -7.893 -8.242 -3.201 81 HB1 ALA 11 HB1 ALA 11 -7.828 -8.663 -0.758 82 HB2 ALA 11 HB2 ALA 11 -9.144 -7.597 -1.250 83 HB3 ALA 11 HB3 ALA 11 -7.696 -6.922 -0.503 84 H LEU 12 HN LEU 12 -6.246 -5.417 -1.920 85 HA LEU 12 HA LEU 12 -8.126 -3.581 -3.151 86 HB2 LEU 12 HB2 LEU 12 -6.842 -3.451 -0.819 87 HB3 LEU 12 HB1 LEU 12 -5.650 -2.634 -1.807 88 HG LEU 12 HG LEU 12 -7.830 -1.259 -2.558 89 HD11 LEU 12 HD11 LEU 12 -9.337 -2.498 -1.098 90 HD12 LEU 12 HD12 LEU 12 -9.220 -0.809 -0.603 91 HD13 LEU 12 HD13 LEU 12 -8.358 -2.055 0.301 92 HD21 LEU 12 HD21 LEU 12 -6.168 -0.760 -0.091 93 HD22 LEU 12 HD22 LEU 12 -7.132 0.450 -0.941 94 HD23 LEU 12 HD23 LEU 12 -5.752 -0.302 -1.743 95 H SER 13 HN SER 13 -6.758 -1.465 -3.910 96 HA SER 13 HA SER 13 -4.554 -2.014 -5.668 97 HB2 SER 13 HB2 SER 13 -7.193 -1.124 -6.865 98 HB3 SER 13 HB1 SER 13 -5.663 -1.269 -7.728 99 HG SER 13 HG SER 13 -6.999 -3.106 -8.025 100 H GLY 14 HN GLY 14 -6.902 0.071 -4.238 101 HA2 GLY 14 HA2 GLY 14 -5.578 2.532 -5.034 102 HA3 GLY 14 HA1 GLY 14 -7.038 2.390 -4.066 103 H CYS 15 HN CYS 15 -3.566 1.724 -3.946 104 HA CYS 15 HA CYS 15 -3.525 1.918 -1.043 105 HB2 CYS 15 HB2 CYS 15 -2.254 0.198 -2.477 106 HB3 CYS 15 HB1 CYS 15 -1.148 1.515 -2.847 107 H CYS 16 HN CYS 16 -1.937 3.299 0.054 108 HA CYS 16 HA CYS 16 -1.949 5.983 -1.019 109 HB2 CYS 16 HB2 CYS 16 -2.038 4.925 1.527 110 HB3 CYS 16 HB1 CYS 16 -0.390 5.538 1.424 111 H ASN 17 HN ASN 17 -0.029 7.323 -1.197 112 HA ASN 17 HA ASN 17 1.908 7.796 -2.276 113 HB2 ASN 17 HB2 ASN 17 3.947 7.083 -1.121 114 HB3 ASN 17 HB1 ASN 17 2.704 7.535 0.031 115 HD21 ASN 17 HD21 ASN 17 3.036 6.350 1.774 116 HD22 ASN 17 HD22 ASN 17 3.267 4.637 1.809 117 H SER 18 HN SER 18 4.246 5.892 -2.548 118 HA SER 18 HA SER 18 3.180 4.285 -4.775 119 HB2 SER 18 HB2 SER 18 5.873 5.671 -4.596 120 HB3 SER 18 HB1 SER 18 5.349 4.634 -5.923 121 HG SER 18 HG SER 18 3.682 6.754 -5.229 122 HA PRO 19 HA PRO 19 5.298 1.441 -1.830 123 HB2 PRO 19 HB2 PRO 19 3.055 -0.192 -1.399 124 HB3 PRO 19 HB1 PRO 19 3.584 1.147 -0.373 125 HG2 PRO 19 HG2 PRO 19 1.215 1.027 -1.913 126 HG3 PRO 19 HG1 PRO 19 1.842 2.399 -0.984 127 HD2 PRO 19 HD2 PRO 19 2.016 1.875 -3.894 128 HD3 PRO 19 HD1 PRO 19 2.015 3.418 -3.014 129 H GLY 20 HN GLY 20 3.085 0.460 -4.489 130 HA2 GLY 20 HA2 GLY 20 4.174 -0.845 -6.262 131 HA3 GLY 20 HA1 GLY 20 4.951 -1.761 -4.983 132 H CYS 21 HN CYS 21 2.512 -1.965 -3.340 133 HA CYS 21 HA CYS 21 0.836 -3.440 -2.948 134 HB2 CYS 21 HB2 CYS 21 0.224 -2.963 -5.890 135 HB3 CYS 21 HB1 CYS 21 -0.838 -3.822 -4.783 136 H ILE 22 HN ILE 22 1.505 -5.300 -2.382 137 HA ILE 22 HA ILE 22 2.237 -7.277 -4.438 138 HB ILE 22 HB ILE 22 3.413 -7.560 -1.709 139 HG12 ILE 22 HG12 ILE 22 4.813 -5.815 -3.731 140 HG13 ILE 22 HG11 ILE 22 3.675 -5.113 -2.588 141 HG21 ILE 22 HG21 ILE 22 3.754 -9.284 -3.401 142 HG22 ILE 22 HG22 ILE 22 5.285 -8.504 -3.001 143 HG23 ILE 22 HG23 ILE 22 4.450 -8.091 -4.498 144 HD11 ILE 22 HD11 ILE 22 5.962 -6.775 -1.618 145 HD12 ILE 22 HD12 ILE 22 5.047 -5.519 -0.781 146 HD13 ILE 22 HD13 ILE 22 6.185 -5.079 -2.052 147 H PHE 23 HN PHE 23 1.917 -9.554 -3.669 148 HA PHE 23 HA PHE 23 -0.733 -9.838 -2.674 149 HB2 PHE 23 HB2 PHE 23 0.560 -11.301 -4.390 150 HB3 PHE 23 HB1 PHE 23 1.177 -12.140 -2.972 151 HD1 PHE 23 HD1 PHE 23 -1.750 -11.489 -5.049 152 HD2 PHE 23 HD2 PHE 23 -0.293 -13.481 -1.582 153 HE1 PHE 23 HE1 PHE 23 -3.788 -12.868 -4.990 154 HE2 PHE 23 HE2 PHE 23 -2.326 -14.865 -1.516 155 HZ PHE 23 HZ PHE 23 -4.077 -14.560 -3.222 156 H GLY 24 HN GLY 24 -0.529 -8.833 -0.573 157 HA2 GLY 24 HA2 GLY 24 -0.891 -10.112 1.615 158 HA3 GLY 24 HA1 GLY 24 0.796 -10.539 1.430 159 H ILE 25 HN ILE 25 0.961 -7.483 0.331 160 HA ILE 25 HA ILE 25 0.545 -5.851 2.603 161 HB ILE 25 HB ILE 25 3.202 -5.470 2.888 162 HG12 ILE 25 HG12 ILE 25 4.325 -7.676 3.217 163 HG13 ILE 25 HG11 ILE 25 2.957 -8.453 2.425 164 HG21 ILE 25 HG21 ILE 25 3.067 -6.687 4.995 165 HG22 ILE 25 HG22 ILE 25 1.586 -7.471 4.444 166 HG23 ILE 25 HG23 ILE 25 1.620 -5.725 4.691 167 HD11 ILE 25 HD11 ILE 25 3.441 -6.963 0.450 168 HD12 ILE 25 HD12 ILE 25 4.612 -8.247 0.782 169 HD13 ILE 25 HD13 ILE 25 4.972 -6.578 1.243 170 H CYS 26 HN CYS 26 0.814 -3.685 2.056 171 HA CYS 26 HA CYS 26 1.594 -3.155 -0.676 172 HB2 CYS 26 HB2 CYS 26 -0.302 -2.042 0.895 173 HB3 CYS 26 HB1 CYS 26 1.000 -0.879 1.129 174 H ALA 27 HN ALA 27 3.784 -3.717 -0.585 175 HA ALA 27 HA ALA 27 6.015 -3.353 -0.540 176 HB1 ALA 27 HB1 ALA 27 5.049 -0.562 -0.084 177 HB2 ALA 27 HB2 ALA 27 5.897 -1.244 -1.468 178 HB3 ALA 27 HB3 ALA 27 6.770 -0.929 0.029 Start of MODEL 15 1 H1 CYS 1 HT1 CYS 1 -7.034 5.127 0.695 2 H2 CYS 1 HT2 CYS 1 -7.296 4.732 2.319 3 H3 CYS 1 HT3 CYS 1 -6.665 3.574 1.259 4 HA CYS 1 HA CYS 1 -4.662 4.849 0.975 5 HB2 CYS 1 HB2 CYS 1 -5.587 7.076 1.253 6 HB3 CYS 1 HB1 CYS 1 -5.992 6.739 2.931 7 H ILE 2 HN ILE 2 -3.158 3.689 1.920 8 HA ILE 2 HA ILE 2 -3.116 3.299 4.783 9 HB ILE 2 HB ILE 2 -2.632 0.772 4.402 10 HG12 ILE 2 HG12 ILE 2 -4.698 0.938 2.242 11 HG13 ILE 2 HG11 ILE 2 -3.022 1.230 1.796 12 HG21 ILE 2 HG21 ILE 2 -5.010 0.263 4.820 13 HG22 ILE 2 HG22 ILE 2 -5.423 1.913 4.351 14 HG23 ILE 2 HG23 ILE 2 -4.424 1.625 5.776 15 HD11 ILE 2 HD11 ILE 2 -2.382 -0.963 2.515 16 HD12 ILE 2 HD12 ILE 2 -3.789 -1.109 1.464 17 HD13 ILE 2 HD13 ILE 2 -3.979 -1.253 3.209 18 HA PRO 3 HA PRO 3 1.269 3.419 4.008 19 HB2 PRO 3 HB2 PRO 3 1.963 1.898 6.370 20 HB3 PRO 3 HB1 PRO 3 1.992 3.656 6.151 21 HG2 PRO 3 HG2 PRO 3 0.278 2.374 7.831 22 HG3 PRO 3 HG1 PRO 3 -0.061 3.942 7.073 23 HD2 PRO 3 HD2 PRO 3 -1.006 1.218 6.269 24 HD3 PRO 3 HD1 PRO 3 -1.899 2.752 6.333 25 H ARG 4 HN ARG 4 3.347 1.915 4.405 26 HA ARG 4 HA ARG 4 3.174 -0.250 2.542 27 HB2 ARG 4 HB2 ARG 4 5.230 1.351 3.763 28 HB3 ARG 4 HB1 ARG 4 5.642 -0.345 3.947 29 HG2 ARG 4 HG2 ARG 4 6.660 0.144 1.956 30 HG3 ARG 4 HG1 ARG 4 5.106 -0.461 1.392 31 HD2 ARG 4 HD2 ARG 4 4.323 1.705 0.900 32 HD3 ARG 4 HD1 ARG 4 5.591 2.472 1.858 33 HE ARG 4 HE ARG 4 6.259 0.981 -0.585 34 HH11 ARG 4 HH11 ARG 4 6.291 3.993 1.222 35 HH12 ARG 4 HH12 ARG 4 7.352 4.784 0.105 36 HH21 ARG 4 HH21 ARG 4 7.656 2.035 -2.028 37 HH22 ARG 4 HH22 ARG 4 8.122 3.677 -1.732 38 H GLY 5 HN GLY 5 2.667 -2.264 2.936 39 HA2 GLY 5 HA2 GLY 5 2.970 -4.342 4.053 40 HA3 GLY 5 HA1 GLY 5 3.319 -3.467 5.534 41 H GLY 6 HN GLY 6 0.603 -2.869 3.360 42 HA2 GLY 6 HA2 GLY 6 -1.228 -3.893 5.433 43 HA3 GLY 6 HA1 GLY 6 -1.483 -2.327 4.682 44 H ILE 7 HN ILE 7 -0.250 -4.719 2.597 45 HA ILE 7 HA ILE 7 -1.049 -5.959 0.866 46 HB ILE 7 HB ILE 7 -3.875 -5.955 1.956 47 HG12 ILE 7 HG12 ILE 7 -3.050 -8.353 2.821 48 HG13 ILE 7 HG11 ILE 7 -1.546 -7.487 3.051 49 HG21 ILE 7 HG21 ILE 7 -2.284 -7.755 0.153 50 HG22 ILE 7 HG22 ILE 7 -3.773 -6.878 -0.197 51 HG23 ILE 7 HG23 ILE 7 -3.802 -8.268 0.887 52 HD11 ILE 7 HD11 ILE 7 -2.837 -7.520 5.087 53 HD12 ILE 7 HD12 ILE 7 -4.215 -6.798 4.256 54 HD13 ILE 7 HD13 ILE 7 -2.733 -5.869 4.476 55 H CYS 8 HN CYS 8 -1.435 -5.240 -1.147 56 HA CYS 8 HA CYS 8 -3.524 -3.250 -1.583 57 HB2 CYS 8 HB2 CYS 8 -1.656 -1.805 -1.236 58 HB3 CYS 8 HB1 CYS 8 -0.606 -2.812 -2.212 59 H LEU 9 HN LEU 9 -1.885 -6.004 -2.671 60 HA LEU 9 HA LEU 9 -3.107 -5.716 -5.345 61 HB2 LEU 9 HB2 LEU 9 -0.546 -5.892 -5.193 62 HB3 LEU 9 HB1 LEU 9 -0.807 -7.561 -4.732 63 HG LEU 9 HG LEU 9 -2.148 -6.700 -7.228 64 HD11 LEU 9 HD11 LEU 9 -0.025 -5.536 -7.454 65 HD12 LEU 9 HD12 LEU 9 -0.105 -6.914 -8.552 66 HD13 LEU 9 HD13 LEU 9 0.845 -7.023 -7.070 67 HD21 LEU 9 HD21 LEU 9 -2.255 -9.002 -6.415 68 HD22 LEU 9 HD22 LEU 9 -0.495 -9.108 -6.467 69 HD23 LEU 9 HD23 LEU 9 -1.412 -8.912 -7.961 70 H VAL 10 HN VAL 10 -2.893 -7.584 -2.467 71 HA VAL 10 HA VAL 10 -4.347 -9.831 -3.660 72 HB VAL 10 HB VAL 10 -3.095 -9.628 -0.893 73 HG11 VAL 10 HG11 VAL 10 -4.951 -11.320 -1.146 74 HG12 VAL 10 HG12 VAL 10 -3.391 -11.975 -0.654 75 HG13 VAL 10 HG13 VAL 10 -3.932 -12.154 -2.321 76 HG21 VAL 10 HG21 VAL 10 -1.394 -9.501 -2.635 77 HG22 VAL 10 HG22 VAL 10 -2.000 -11.005 -3.344 78 HG23 VAL 10 HG23 VAL 10 -1.297 -11.013 -1.728 79 H ALA 11 HN ALA 11 -4.863 -7.051 -1.723 80 HA ALA 11 HA ALA 11 -7.584 -7.974 -1.107 81 HB1 ALA 11 HB1 ALA 11 -5.943 -6.280 0.754 82 HB2 ALA 11 HB2 ALA 11 -6.128 -8.027 0.914 83 HB3 ALA 11 HB3 ALA 11 -7.537 -6.973 1.060 84 H LEU 12 HN LEU 12 -5.479 -5.182 -1.453 85 HA LEU 12 HA LEU 12 -7.796 -3.502 -2.100 86 HB2 LEU 12 HB2 LEU 12 -5.562 -3.068 -0.465 87 HB3 LEU 12 HB1 LEU 12 -5.281 -2.084 -1.888 88 HG LEU 12 HG LEU 12 -7.797 -1.339 -1.396 89 HD11 LEU 12 HD11 LEU 12 -8.065 -2.795 0.543 90 HD12 LEU 12 HD12 LEU 12 -8.144 -1.096 1.010 91 HD13 LEU 12 HD13 LEU 12 -6.679 -2.028 1.319 92 HD21 LEU 12 HD21 LEU 12 -6.844 0.593 -0.198 93 HD22 LEU 12 HD22 LEU 12 -5.915 0.159 -1.633 94 HD23 LEU 12 HD23 LEU 12 -5.324 -0.284 -0.033 95 H SER 13 HN SER 13 -6.663 -1.509 -3.518 96 HA SER 13 HA SER 13 -5.245 -2.545 -5.822 97 HB2 SER 13 HB2 SER 13 -7.992 -1.289 -6.086 98 HB3 SER 13 HB1 SER 13 -6.923 -1.689 -7.429 99 HG SER 13 HG SER 13 -7.984 -3.514 -7.345 100 H GLY 14 HN GLY 14 -6.441 0.011 -3.853 101 HA2 GLY 14 HA2 GLY 14 -4.603 1.903 -5.163 102 HA3 GLY 14 HA1 GLY 14 -6.209 2.395 -4.651 103 H CYS 15 HN CYS 15 -2.986 1.649 -3.671 104 HA CYS 15 HA CYS 15 -3.565 2.190 -0.849 105 HB2 CYS 15 HB2 CYS 15 -2.172 0.201 -1.740 106 HB3 CYS 15 HB1 CYS 15 -0.906 1.385 -1.990 107 H CYS 16 HN CYS 16 -1.813 3.569 0.297 108 HA CYS 16 HA CYS 16 -1.589 6.076 -1.175 109 HB2 CYS 16 HB2 CYS 16 -1.817 5.297 1.607 110 HB3 CYS 16 HB1 CYS 16 -0.519 6.462 1.373 111 H ASN 17 HN ASN 17 0.376 7.430 -0.935 112 HA ASN 17 HA ASN 17 2.568 7.901 -1.304 113 HB2 ASN 17 HB2 ASN 17 3.094 5.307 0.184 114 HB3 ASN 17 HB1 ASN 17 4.306 6.528 -0.185 115 HD21 ASN 17 HD21 ASN 17 2.982 5.362 2.321 116 HD22 ASN 17 HD22 ASN 17 2.613 6.761 3.266 117 H SER 18 HN SER 18 4.510 5.419 -1.600 118 HA SER 18 HA SER 18 3.929 4.913 -4.449 119 HB2 SER 18 HB2 SER 18 6.574 4.777 -2.969 120 HB3 SER 18 HB1 SER 18 6.346 4.449 -4.687 121 HG SER 18 HG SER 18 6.957 6.719 -3.733 122 HA PRO 19 HA PRO 19 3.429 0.872 -2.430 123 HB2 PRO 19 HB2 PRO 19 0.797 0.496 -2.941 124 HB3 PRO 19 HB1 PRO 19 1.393 1.437 -1.561 125 HG2 PRO 19 HG2 PRO 19 -0.027 2.370 -3.911 126 HG3 PRO 19 HG1 PRO 19 0.378 3.249 -2.426 127 HD2 PRO 19 HD2 PRO 19 1.757 3.258 -5.013 128 HD3 PRO 19 HD1 PRO 19 1.894 4.395 -3.655 129 H GLY 20 HN GLY 20 4.682 -0.198 -3.924 130 HA2 GLY 20 HA2 GLY 20 4.001 -0.870 -6.554 131 HA3 GLY 20 HA1 GLY 20 5.080 -1.808 -5.534 132 H CYS 21 HN CYS 21 2.727 -2.124 -3.570 133 HA CYS 21 HA CYS 21 1.230 -3.709 -2.982 134 HB2 CYS 21 HB2 CYS 21 0.177 -3.616 -5.830 135 HB3 CYS 21 HB1 CYS 21 -0.742 -3.866 -4.348 136 H ILE 22 HN ILE 22 2.080 -5.618 -2.507 137 HA ILE 22 HA ILE 22 2.631 -7.459 -4.743 138 HB ILE 22 HB ILE 22 4.177 -8.083 -2.335 139 HG12 ILE 22 HG12 ILE 22 5.013 -5.628 -3.907 140 HG13 ILE 22 HG11 ILE 22 4.203 -5.533 -2.350 141 HG21 ILE 22 HG21 ILE 22 4.947 -7.688 -5.226 142 HG22 ILE 22 HG22 ILE 22 4.391 -9.201 -4.515 143 HG23 ILE 22 HG23 ILE 22 5.914 -8.488 -3.987 144 HD11 ILE 22 HD11 ILE 22 6.577 -5.225 -2.072 145 HD12 ILE 22 HD12 ILE 22 6.906 -6.750 -2.894 146 HD13 ILE 22 HD13 ILE 22 6.094 -6.749 -1.331 147 H PHE 23 HN PHE 23 3.296 -9.589 -2.658 148 HA PHE 23 HA PHE 23 0.578 -10.533 -2.435 149 HB2 PHE 23 HB2 PHE 23 2.703 -11.867 -3.160 150 HB3 PHE 23 HB1 PHE 23 2.905 -12.102 -1.429 151 HD1 PHE 23 HD1 PHE 23 1.355 -13.465 -0.168 152 HD2 PHE 23 HD2 PHE 23 0.868 -12.891 -4.357 153 HE1 PHE 23 HE1 PHE 23 -0.232 -15.343 -0.237 154 HE2 PHE 23 HE2 PHE 23 -0.722 -14.767 -4.433 155 HZ PHE 23 HZ PHE 23 -1.273 -15.996 -2.372 156 H GLY 24 HN GLY 24 -0.504 -9.589 -0.816 157 HA2 GLY 24 HA2 GLY 24 -1.357 -9.513 1.322 158 HA3 GLY 24 HA1 GLY 24 -0.049 -10.551 1.841 159 H ILE 25 HN ILE 25 0.635 -7.494 0.265 160 HA ILE 25 HA ILE 25 0.813 -5.906 2.606 161 HB ILE 25 HB ILE 25 3.460 -5.632 2.243 162 HG12 ILE 25 HG12 ILE 25 4.503 -7.927 2.159 163 HG13 ILE 25 HG11 ILE 25 2.953 -8.545 1.604 164 HG21 ILE 25 HG21 ILE 25 2.035 -6.279 4.323 165 HG22 ILE 25 HG22 ILE 25 3.767 -6.598 4.311 166 HG23 ILE 25 HG23 ILE 25 2.628 -7.904 3.989 167 HD11 ILE 25 HD11 ILE 25 3.100 -7.410 -0.426 168 HD12 ILE 25 HD12 ILE 25 4.721 -8.058 -0.143 169 HD13 ILE 25 HD13 ILE 25 4.385 -6.347 0.161 170 H CYS 26 HN CYS 26 0.926 -3.792 2.097 171 HA CYS 26 HA CYS 26 0.934 -2.980 -0.646 172 HB2 CYS 26 HB2 CYS 26 -0.635 -1.890 0.812 173 HB3 CYS 26 HB1 CYS 26 0.620 -1.496 1.975 174 H ALA 27 HN ALA 27 2.979 -3.371 -1.444 175 HA ALA 27 HA ALA 27 5.123 -2.947 -2.048 176 HB1 ALA 27 HB1 ALA 27 5.073 -0.706 -2.341 177 HB2 ALA 27 HB2 ALA 27 6.095 -0.707 -0.909 178 HB3 ALA 27 HB3 ALA 27 4.364 -0.405 -0.757 Start of MODEL 16 1 H1 CYS 1 HT1 CYS 1 -5.792 7.987 2.197 2 H2 CYS 1 HT2 CYS 1 -5.722 7.511 3.819 3 H3 CYS 1 HT3 CYS 1 -6.256 6.421 2.641 4 HA CYS 1 HA CYS 1 -4.097 6.385 1.617 5 HB2 CYS 1 HB2 CYS 1 -3.641 8.570 3.578 6 HB3 CYS 1 HB1 CYS 1 -2.290 7.484 3.274 7 H ILE 2 HN ILE 2 -3.179 4.501 2.014 8 HA ILE 2 HA ILE 2 -3.329 3.398 4.738 9 HB ILE 2 HB ILE 2 -2.779 1.371 2.755 10 HG12 ILE 2 HG12 ILE 2 -5.558 2.471 2.428 11 HG13 ILE 2 HG11 ILE 2 -4.254 3.166 1.475 12 HG21 ILE 2 HG21 ILE 2 -4.759 0.315 3.824 13 HG22 ILE 2 HG22 ILE 2 -5.006 1.801 4.741 14 HG23 ILE 2 HG23 ILE 2 -3.535 0.857 4.969 15 HD11 ILE 2 HD11 ILE 2 -3.788 0.943 0.527 16 HD12 ILE 2 HD12 ILE 2 -5.436 1.482 0.208 17 HD13 ILE 2 HD13 ILE 2 -5.132 0.284 1.464 18 HA PRO 3 HA PRO 3 1.151 3.259 4.586 19 HB2 PRO 3 HB2 PRO 3 1.278 1.350 6.760 20 HB3 PRO 3 HB1 PRO 3 1.554 3.099 6.819 21 HG2 PRO 3 HG2 PRO 3 -0.545 1.877 8.033 22 HG3 PRO 3 HG1 PRO 3 -0.578 3.556 7.458 23 HD2 PRO 3 HD2 PRO 3 -1.667 1.096 6.147 24 HD3 PRO 3 HD1 PRO 3 -2.403 2.703 6.315 25 H ARG 4 HN ARG 4 3.001 1.633 4.759 26 HA ARG 4 HA ARG 4 2.695 -0.411 2.759 27 HB2 ARG 4 HB2 ARG 4 4.854 1.053 4.042 28 HB3 ARG 4 HB1 ARG 4 5.227 -0.660 3.929 29 HG2 ARG 4 HG2 ARG 4 6.121 0.271 1.988 30 HG3 ARG 4 HG1 ARG 4 4.611 -0.470 1.466 31 HD2 ARG 4 HD2 ARG 4 4.834 1.682 0.414 32 HD3 ARG 4 HD1 ARG 4 3.525 1.762 1.589 33 HE ARG 4 HE ARG 4 5.086 2.939 3.072 34 HH11 ARG 4 HH11 ARG 4 5.927 2.831 -0.338 35 HH12 ARG 4 HH12 ARG 4 6.929 4.241 -0.251 36 HH21 ARG 4 HH21 ARG 4 6.401 4.781 3.159 37 HH22 ARG 4 HH22 ARG 4 7.196 5.343 1.726 38 H GLY 5 HN GLY 5 2.237 -2.444 3.069 39 HA2 GLY 5 HA2 GLY 5 2.631 -4.560 4.123 40 HA3 GLY 5 HA1 GLY 5 2.870 -3.719 5.645 41 H GLY 6 HN GLY 6 0.267 -3.012 3.411 42 HA2 GLY 6 HA2 GLY 6 -1.648 -4.143 5.349 43 HA3 GLY 6 HA1 GLY 6 -1.901 -2.598 4.555 44 H ILE 7 HN ILE 7 -0.482 -4.920 2.532 45 HA ILE 7 HA ILE 7 -1.161 -6.221 0.787 46 HB ILE 7 HB ILE 7 -4.008 -6.314 1.832 47 HG12 ILE 7 HG12 ILE 7 -3.086 -8.713 2.620 48 HG13 ILE 7 HG11 ILE 7 -1.627 -7.781 2.888 49 HG21 ILE 7 HG21 ILE 7 -2.380 -8.100 0.038 50 HG22 ILE 7 HG22 ILE 7 -3.803 -7.149 -0.384 51 HG23 ILE 7 HG23 ILE 7 -3.960 -8.544 0.683 52 HD11 ILE 7 HD11 ILE 7 -2.906 -6.264 4.347 53 HD12 ILE 7 HD12 ILE 7 -2.925 -7.934 4.913 54 HD13 ILE 7 HD13 ILE 7 -4.336 -7.265 4.093 55 H CYS 8 HN CYS 8 -1.526 -5.561 -1.248 56 HA CYS 8 HA CYS 8 -3.678 -3.693 -1.830 57 HB2 CYS 8 HB2 CYS 8 -1.957 -2.104 -1.372 58 HB3 CYS 8 HB1 CYS 8 -0.766 -3.043 -2.256 59 H LEU 9 HN LEU 9 -1.645 -6.241 -2.802 60 HA LEU 9 HA LEU 9 -2.653 -6.064 -5.569 61 HB2 LEU 9 HB2 LEU 9 -0.111 -6.179 -5.027 62 HB3 LEU 9 HB1 LEU 9 -0.416 -7.871 -4.704 63 HG LEU 9 HG LEU 9 -1.487 -7.796 -7.127 64 HD11 LEU 9 HD11 LEU 9 0.581 -5.607 -7.273 65 HD12 LEU 9 HD12 LEU 9 -1.162 -5.364 -7.383 66 HD13 LEU 9 HD13 LEU 9 -0.323 -6.299 -8.621 67 HD21 LEU 9 HD21 LEU 9 0.353 -9.229 -6.452 68 HD22 LEU 9 HD22 LEU 9 1.477 -7.877 -6.582 69 HD23 LEU 9 HD23 LEU 9 0.683 -8.505 -8.026 70 H VAL 10 HN VAL 10 -2.662 -7.940 -2.667 71 HA VAL 10 HA VAL 10 -3.903 -10.223 -4.014 72 HB VAL 10 HB VAL 10 -2.868 -10.018 -1.161 73 HG11 VAL 10 HG11 VAL 10 -3.548 -12.554 -2.655 74 HG12 VAL 10 HG12 VAL 10 -4.657 -11.757 -1.537 75 HG13 VAL 10 HG13 VAL 10 -3.113 -12.376 -0.955 76 HG21 VAL 10 HG21 VAL 10 -1.583 -11.367 -3.533 77 HG22 VAL 10 HG22 VAL 10 -0.979 -11.331 -1.879 78 HG23 VAL 10 HG23 VAL 10 -1.074 -9.834 -2.813 79 H ALA 11 HN ALA 11 -4.728 -7.560 -1.965 80 HA ALA 11 HA ALA 11 -7.457 -8.612 -1.759 81 HB1 ALA 11 HB1 ALA 11 -6.092 -7.224 0.529 82 HB2 ALA 11 HB2 ALA 11 -6.265 -8.973 0.389 83 HB3 ALA 11 HB3 ALA 11 -7.699 -7.953 0.527 84 H LEU 12 HN LEU 12 -5.452 -5.742 -1.359 85 HA LEU 12 HA LEU 12 -7.722 -3.996 -1.916 86 HB2 LEU 12 HB2 LEU 12 -5.199 -3.762 -0.508 87 HB3 LEU 12 HB1 LEU 12 -5.419 -2.429 -1.629 88 HG LEU 12 HG LEU 12 -7.689 -3.084 0.177 89 HD11 LEU 12 HD11 LEU 12 -5.048 -1.972 1.061 90 HD12 LEU 12 HD12 LEU 12 -6.036 -3.222 1.818 91 HD13 LEU 12 HD13 LEU 12 -6.550 -1.536 1.876 92 HD21 LEU 12 HD21 LEU 12 -7.922 -0.651 0.169 93 HD22 LEU 12 HD22 LEU 12 -7.847 -1.284 -1.476 94 HD23 LEU 12 HD23 LEU 12 -6.434 -0.504 -0.767 95 H SER 13 HN SER 13 -6.513 -1.852 -3.205 96 HA SER 13 HA SER 13 -5.596 -2.985 -5.754 97 HB2 SER 13 HB2 SER 13 -7.631 -0.778 -5.409 98 HB3 SER 13 HB1 SER 13 -6.971 -1.318 -6.953 99 HG SER 13 HG SER 13 -9.077 -2.255 -5.836 100 H GLY 14 HN GLY 14 -5.600 -0.251 -3.575 101 HA2 GLY 14 HA2 GLY 14 -2.966 0.527 -4.427 102 HA3 GLY 14 HA1 GLY 14 -4.200 1.675 -4.916 103 H CYS 15 HN CYS 15 -1.980 2.111 -3.138 104 HA CYS 15 HA CYS 15 -3.450 2.858 -0.699 105 HB2 CYS 15 HB2 CYS 15 -0.520 2.127 -0.738 106 HB3 CYS 15 HB1 CYS 15 -1.548 2.361 0.666 107 H CYS 16 HN CYS 16 -1.150 4.254 0.410 108 HA CYS 16 HA CYS 16 -1.383 6.760 -1.037 109 HB2 CYS 16 HB2 CYS 16 -1.419 6.259 1.567 110 HB3 CYS 16 HB1 CYS 16 0.322 6.435 1.396 111 H ASN 17 HN ASN 17 0.621 8.141 -1.289 112 HA ASN 17 HA ASN 17 2.447 8.535 -2.576 113 HB2 ASN 17 HB2 ASN 17 4.593 7.450 -1.592 114 HB3 ASN 17 HB1 ASN 17 3.669 8.567 -0.604 115 HD21 ASN 17 HD21 ASN 17 4.442 5.188 -1.143 116 HD22 ASN 17 HD22 ASN 17 3.993 4.643 0.430 117 H SER 18 HN SER 18 4.527 5.983 -2.476 118 HA SER 18 HA SER 18 3.546 4.926 -5.041 119 HB2 SER 18 HB2 SER 18 6.375 5.037 -3.968 120 HB3 SER 18 HB1 SER 18 5.903 4.358 -5.525 121 HG SER 18 HG SER 18 5.223 7.006 -4.854 122 HA PRO 19 HA PRO 19 3.400 1.215 -2.407 123 HB2 PRO 19 HB2 PRO 19 0.735 0.719 -2.547 124 HB3 PRO 19 HB1 PRO 19 1.446 1.872 -1.402 125 HG2 PRO 19 HG2 PRO 19 -0.226 2.397 -3.732 126 HG3 PRO 19 HG1 PRO 19 0.218 3.478 -2.401 127 HD2 PRO 19 HD2 PRO 19 1.386 3.286 -5.064 128 HD3 PRO 19 HD1 PRO 19 1.624 4.533 -3.823 129 H GLY 20 HN GLY 20 4.532 0.018 -3.849 130 HA2 GLY 20 HA2 GLY 20 3.877 -0.801 -6.415 131 HA3 GLY 20 HA1 GLY 20 4.945 -1.684 -5.347 132 H CYS 21 HN CYS 21 2.708 -2.240 -3.393 133 HA CYS 21 HA CYS 21 1.187 -3.862 -2.926 134 HB2 CYS 21 HB2 CYS 21 0.289 -3.808 -5.822 135 HB3 CYS 21 HB1 CYS 21 -0.691 -4.119 -4.392 136 H ILE 22 HN ILE 22 2.060 -5.753 -2.446 137 HA ILE 22 HA ILE 22 2.844 -7.516 -4.667 138 HB ILE 22 HB ILE 22 4.328 -8.091 -2.213 139 HG12 ILE 22 HG12 ILE 22 5.060 -5.540 -3.678 140 HG13 ILE 22 HG11 ILE 22 4.193 -5.552 -2.149 141 HG21 ILE 22 HG21 ILE 22 4.718 -9.143 -4.389 142 HG22 ILE 22 HG22 ILE 22 6.161 -8.315 -3.808 143 HG23 ILE 22 HG23 ILE 22 5.169 -7.578 -5.066 144 HD11 ILE 22 HD11 ILE 22 6.991 -6.556 -2.640 145 HD12 ILE 22 HD12 ILE 22 6.129 -6.691 -1.110 146 HD13 ILE 22 HD13 ILE 22 6.522 -5.102 -1.761 147 H PHE 23 HN PHE 23 3.559 -9.610 -2.547 148 HA PHE 23 HA PHE 23 0.912 -10.749 -2.461 149 HB2 PHE 23 HB2 PHE 23 3.177 -11.914 -3.055 150 HB3 PHE 23 HB1 PHE 23 3.280 -12.143 -1.315 151 HD1 PHE 23 HD1 PHE 23 1.504 -13.060 -4.372 152 HD2 PHE 23 HD2 PHE 23 1.756 -13.624 -0.161 153 HE1 PHE 23 HE1 PHE 23 0.065 -15.048 -4.556 154 HE2 PHE 23 HE2 PHE 23 0.317 -15.613 -0.337 155 HZ PHE 23 HZ PHE 23 -0.529 -16.327 -2.536 156 H GLY 24 HN GLY 24 -0.335 -9.914 -0.905 157 HA2 GLY 24 HA2 GLY 24 -1.307 -9.831 1.175 158 HA3 GLY 24 HA1 GLY 24 -0.021 -10.864 1.761 159 H ILE 25 HN ILE 25 0.578 -7.726 0.291 160 HA ILE 25 HA ILE 25 0.653 -6.172 2.643 161 HB ILE 25 HB ILE 25 3.297 -5.808 2.387 162 HG12 ILE 25 HG12 ILE 25 4.421 -8.083 2.311 163 HG13 ILE 25 HG11 ILE 25 2.925 -8.711 1.631 164 HG21 ILE 25 HG21 ILE 25 1.833 -6.562 4.404 165 HG22 ILE 25 HG22 ILE 25 3.579 -6.802 4.445 166 HG23 ILE 25 HG23 ILE 25 2.513 -8.151 4.058 167 HD11 ILE 25 HD11 ILE 25 4.790 -8.102 0.024 168 HD12 ILE 25 HD12 ILE 25 4.386 -6.415 0.378 169 HD13 ILE 25 HD13 ILE 25 3.174 -7.488 -0.335 170 H CYS 26 HN CYS 26 0.749 -4.015 2.091 171 HA CYS 26 HA CYS 26 0.892 -3.412 -0.727 172 HB2 CYS 26 HB2 CYS 26 -0.883 -2.422 0.684 173 HB3 CYS 26 HB1 CYS 26 0.348 -1.564 1.606 174 H ALA 27 HN ALA 27 2.885 -3.370 -1.530 175 HA ALA 27 HA ALA 27 5.000 -2.737 -2.028 176 HB1 ALA 27 HB1 ALA 27 3.887 -0.365 -0.746 177 HB2 ALA 27 HB2 ALA 27 4.874 -0.509 -2.199 178 HB3 ALA 27 HB3 ALA 27 5.642 -0.466 -0.616 Start of MODEL 17 1 H1 CYS 1 HT1 CYS 1 -7.130 3.447 1.914 2 H2 CYS 1 HT2 CYS 1 -6.272 2.397 0.901 3 H3 CYS 1 HT3 CYS 1 -6.885 3.850 0.288 4 HA CYS 1 HA CYS 1 -4.512 3.995 0.647 5 HB2 CYS 1 HB2 CYS 1 -5.674 6.063 0.814 6 HB3 CYS 1 HB1 CYS 1 -6.312 5.666 2.404 7 H ILE 2 HN ILE 2 -2.826 3.251 1.700 8 HA ILE 2 HA ILE 2 -2.677 3.011 4.528 9 HB ILE 2 HB ILE 2 -1.887 0.521 4.247 10 HG12 ILE 2 HG12 ILE 2 -4.326 -0.017 2.745 11 HG13 ILE 2 HG11 ILE 2 -3.093 0.776 1.783 12 HG21 ILE 2 HG21 ILE 2 -3.430 1.279 5.924 13 HG22 ILE 2 HG22 ILE 2 -4.045 -0.205 5.198 14 HG23 ILE 2 HG23 ILE 2 -4.733 1.352 4.737 15 HD11 ILE 2 HD11 ILE 2 -1.489 -0.991 2.368 16 HD12 ILE 2 HD12 ILE 2 -2.936 -1.640 1.597 17 HD13 ILE 2 HD13 ILE 2 -2.739 -1.780 3.337 18 HA PRO 3 HA PRO 3 1.607 3.333 3.340 19 HB2 PRO 3 HB2 PRO 3 2.820 2.991 5.729 20 HB3 PRO 3 HB1 PRO 3 1.870 4.442 5.358 21 HG2 PRO 3 HG2 PRO 3 1.143 2.088 7.015 22 HG3 PRO 3 HG1 PRO 3 0.747 3.801 7.246 23 HD2 PRO 3 HD2 PRO 3 -0.970 1.909 6.174 24 HD3 PRO 3 HD1 PRO 3 -1.117 3.663 5.963 25 H ARG 4 HN ARG 4 3.558 2.153 3.155 26 HA ARG 4 HA ARG 4 3.568 -0.427 2.372 27 HB2 ARG 4 HB2 ARG 4 5.428 1.370 2.275 28 HB3 ARG 4 HB1 ARG 4 5.954 0.720 3.819 29 HG2 ARG 4 HG2 ARG 4 5.610 -1.122 1.491 30 HG3 ARG 4 HG1 ARG 4 7.045 -0.104 1.596 31 HD2 ARG 4 HD2 ARG 4 6.176 -1.806 3.904 32 HD3 ARG 4 HD1 ARG 4 7.128 -2.487 2.586 33 HE ARG 4 HE ARG 4 8.266 -0.093 3.694 34 HH11 ARG 4 HH11 ARG 4 8.088 -3.577 4.093 35 HH12 ARG 4 HH12 ARG 4 9.585 -3.670 4.958 36 HH21 ARG 4 HH21 ARG 4 10.223 -0.237 4.826 37 HH22 ARG 4 HH22 ARG 4 10.793 -1.780 5.372 38 H GLY 5 HN GLY 5 3.074 -2.260 3.312 39 HA2 GLY 5 HA2 GLY 5 3.832 -3.960 4.937 40 HA3 GLY 5 HA1 GLY 5 3.797 -2.684 6.151 41 H GLY 6 HN GLY 6 1.397 -2.831 3.688 42 HA2 GLY 6 HA2 GLY 6 -0.605 -3.618 5.692 43 HA3 GLY 6 HA1 GLY 6 -0.897 -2.506 4.367 44 H ILE 7 HN ILE 7 -1.488 -3.262 2.406 45 HA ILE 7 HA ILE 7 -1.166 -5.788 1.296 46 HB ILE 7 HB ILE 7 -3.707 -6.506 1.407 47 HG12 ILE 7 HG12 ILE 7 -4.513 -6.396 3.854 48 HG13 ILE 7 HG11 ILE 7 -3.459 -5.008 4.023 49 HG21 ILE 7 HG21 ILE 7 -1.820 -7.184 3.640 50 HG22 ILE 7 HG22 ILE 7 -1.845 -7.912 2.034 51 HG23 ILE 7 HG23 ILE 7 -3.212 -8.137 3.125 52 HD11 ILE 7 HD11 ILE 7 -4.711 -3.916 2.170 53 HD12 ILE 7 HD12 ILE 7 -5.694 -4.267 3.591 54 HD13 ILE 7 HD13 ILE 7 -5.807 -5.297 2.164 55 H CYS 8 HN CYS 8 -1.732 -5.667 -0.845 56 HA CYS 8 HA CYS 8 -3.832 -3.863 -1.680 57 HB2 CYS 8 HB2 CYS 8 -2.038 -2.265 -1.569 58 HB3 CYS 8 HB1 CYS 8 -0.952 -3.363 -2.403 59 H LEU 9 HN LEU 9 -1.189 -5.899 -2.895 60 HA LEU 9 HA LEU 9 -2.554 -6.425 -5.383 61 HB2 LEU 9 HB2 LEU 9 0.021 -6.435 -4.820 62 HB3 LEU 9 HB1 LEU 9 -0.284 -8.114 -4.435 63 HG LEU 9 HG LEU 9 -1.381 -8.130 -6.841 64 HD11 LEU 9 HD11 LEU 9 -1.116 -5.745 -7.253 65 HD12 LEU 9 HD12 LEU 9 -0.165 -6.691 -8.399 66 HD13 LEU 9 HD13 LEU 9 0.630 -5.892 -7.042 67 HD21 LEU 9 HD21 LEU 9 1.594 -8.172 -6.354 68 HD22 LEU 9 HD22 LEU 9 0.768 -8.871 -7.746 69 HD23 LEU 9 HD23 LEU 9 0.484 -9.523 -6.133 70 H VAL 10 HN VAL 10 -3.196 -7.526 -2.382 71 HA VAL 10 HA VAL 10 -3.822 -10.257 -3.198 72 HB VAL 10 HB VAL 10 -2.510 -10.035 -1.149 73 HG11 VAL 10 HG11 VAL 10 -3.209 -7.896 -0.337 74 HG12 VAL 10 HG12 VAL 10 -3.511 -9.105 0.912 75 HG13 VAL 10 HG13 VAL 10 -4.849 -8.485 -0.055 76 HG21 VAL 10 HG21 VAL 10 -3.883 -11.990 -1.251 77 HG22 VAL 10 HG22 VAL 10 -5.295 -11.094 -0.689 78 HG23 VAL 10 HG23 VAL 10 -3.935 -11.371 0.400 79 H ALA 11 HN ALA 11 -5.367 -7.311 -2.088 80 HA ALA 11 HA ALA 11 -7.965 -8.408 -2.871 81 HB1 ALA 11 HB1 ALA 11 -7.766 -8.709 -0.436 82 HB2 ALA 11 HB2 ALA 11 -9.075 -7.613 -0.881 83 HB3 ALA 11 HB3 ALA 11 -7.554 -6.967 -0.264 84 H LEU 12 HN LEU 12 -6.110 -5.556 -2.027 85 HA LEU 12 HA LEU 12 -8.099 -3.733 -3.087 86 HB2 LEU 12 HB2 LEU 12 -6.022 -3.575 -1.205 87 HB3 LEU 12 HB1 LEU 12 -5.528 -2.526 -2.519 88 HG LEU 12 HG LEU 12 -8.277 -2.258 -1.344 89 HD11 LEU 12 HD11 LEU 12 -6.774 -2.230 0.563 90 HD12 LEU 12 HD12 LEU 12 -7.398 -0.612 0.239 91 HD13 LEU 12 HD13 LEU 12 -5.754 -1.036 -0.239 92 HD21 LEU 12 HD21 LEU 12 -7.839 -1.009 -3.365 93 HD22 LEU 12 HD22 LEU 12 -6.357 -0.346 -2.676 94 HD23 LEU 12 HD23 LEU 12 -7.922 0.106 -2.001 95 H SER 13 HN SER 13 -6.509 -1.761 -4.269 96 HA SER 13 HA SER 13 -5.322 -3.067 -6.616 97 HB2 SER 13 HB2 SER 13 -7.673 -2.309 -7.089 98 HB3 SER 13 HB1 SER 13 -7.146 -0.657 -6.767 99 HG SER 13 HG SER 13 -7.108 -1.690 -9.053 100 H GLY 14 HN GLY 14 -5.366 -0.469 -4.354 101 HA2 GLY 14 HA2 GLY 14 -2.655 0.215 -4.788 102 HA3 GLY 14 HA1 GLY 14 -3.695 1.420 -5.535 103 H CYS 15 HN CYS 15 -1.832 1.617 -3.238 104 HA CYS 15 HA CYS 15 -3.756 2.444 -1.168 105 HB2 CYS 15 HB2 CYS 15 -0.860 1.917 -0.569 106 HB3 CYS 15 HB1 CYS 15 -2.232 1.895 0.514 107 H CYS 16 HN CYS 16 -1.663 3.872 0.342 108 HA CYS 16 HA CYS 16 -1.725 6.344 -1.218 109 HB2 CYS 16 HB2 CYS 16 -1.527 5.663 1.659 110 HB3 CYS 16 HB1 CYS 16 -0.723 7.143 1.143 111 H ASN 17 HN ASN 17 0.176 7.863 -0.810 112 HA ASN 17 HA ASN 17 2.177 8.461 -1.647 113 HB2 ASN 17 HB2 ASN 17 4.129 7.519 -0.241 114 HB3 ASN 17 HB1 ASN 17 2.892 8.489 0.544 115 HD21 ASN 17 HD21 ASN 17 4.353 5.394 0.277 116 HD22 ASN 17 HD22 ASN 17 3.507 4.639 1.578 117 H SER 18 HN SER 18 3.450 5.252 -0.982 118 HA SER 18 HA SER 18 3.858 4.854 -3.866 119 HB2 SER 18 HB2 SER 18 5.938 4.407 -1.711 120 HB3 SER 18 HB1 SER 18 6.131 3.990 -3.414 121 HG SER 18 HG SER 18 6.998 6.094 -2.666 122 HA PRO 19 HA PRO 19 2.257 0.930 -2.200 123 HB2 PRO 19 HB2 PRO 19 -0.035 0.804 -3.657 124 HB3 PRO 19 HB1 PRO 19 0.116 1.715 -2.149 125 HG2 PRO 19 HG2 PRO 19 -0.214 2.720 -4.852 126 HG3 PRO 19 HG1 PRO 19 -0.359 3.580 -3.310 127 HD2 PRO 19 HD2 PRO 19 1.907 3.486 -5.154 128 HD3 PRO 19 HD1 PRO 19 1.623 4.572 -3.777 129 H GLY 20 HN GLY 20 3.978 -0.182 -3.199 130 HA2 GLY 20 HA2 GLY 20 4.095 -0.829 -5.960 131 HA3 GLY 20 HA1 GLY 20 4.957 -1.658 -4.672 132 H CYS 21 HN CYS 21 2.361 -2.213 -3.281 133 HA CYS 21 HA CYS 21 0.908 -3.913 -3.004 134 HB2 CYS 21 HB2 CYS 21 0.439 -3.730 -5.997 135 HB3 CYS 21 HB1 CYS 21 -0.690 -4.322 -4.783 136 H ILE 22 HN ILE 22 1.624 -5.690 -2.371 137 HA ILE 22 HA ILE 22 2.594 -7.683 -4.299 138 HB ILE 22 HB ILE 22 3.739 -7.806 -1.554 139 HG12 ILE 22 HG12 ILE 22 5.054 -6.000 -3.590 140 HG13 ILE 22 HG11 ILE 22 3.937 -5.363 -2.387 141 HG21 ILE 22 HG21 ILE 22 4.199 -9.545 -3.189 142 HG22 ILE 22 HG22 ILE 22 5.682 -8.679 -2.792 143 HG23 ILE 22 HG23 ILE 22 4.848 -8.347 -4.310 144 HD11 ILE 22 HD11 ILE 22 6.553 -5.394 -2.012 145 HD12 ILE 22 HD12 ILE 22 6.201 -7.018 -1.416 146 HD13 ILE 22 HD13 ILE 22 5.414 -5.619 -0.685 147 H PHE 23 HN PHE 23 2.404 -9.950 -3.325 148 HA PHE 23 HA PHE 23 -0.267 -10.287 -2.396 149 HB2 PHE 23 HB2 PHE 23 1.153 -11.827 -3.928 150 HB3 PHE 23 HB1 PHE 23 1.763 -12.502 -2.422 151 HD1 PHE 23 HD1 PHE 23 0.329 -13.809 -0.973 152 HD2 PHE 23 HD2 PHE 23 -1.136 -12.178 -4.620 153 HE1 PHE 23 HE1 PHE 23 -1.633 -15.288 -0.842 154 HE2 PHE 23 HE2 PHE 23 -3.101 -13.653 -4.495 155 HZ PHE 23 HZ PHE 23 -3.352 -15.210 -2.604 156 H GLY 24 HN GLY 24 -0.521 -9.366 -0.384 157 HA2 GLY 24 HA2 GLY 24 -0.850 -10.295 1.876 158 HA3 GLY 24 HA1 GLY 24 0.827 -10.793 1.822 159 H ILE 25 HN ILE 25 0.892 -7.766 0.454 160 HA ILE 25 HA ILE 25 0.564 -6.037 2.662 161 HB ILE 25 HB ILE 25 3.235 -5.534 2.652 162 HG12 ILE 25 HG12 ILE 25 4.448 -7.662 3.086 163 HG13 ILE 25 HG11 ILE 25 3.029 -8.557 2.552 164 HG21 ILE 25 HG21 ILE 25 3.297 -6.551 4.877 165 HG22 ILE 25 HG22 ILE 25 1.783 -7.386 4.524 166 HG23 ILE 25 HG23 ILE 25 1.821 -5.625 4.602 167 HD11 ILE 25 HD11 ILE 25 5.060 -7.108 0.990 168 HD12 ILE 25 HD12 ILE 25 3.391 -7.001 0.420 169 HD13 ILE 25 HD13 ILE 25 4.160 -8.580 0.610 170 H CYS 26 HN CYS 26 0.631 -3.930 1.986 171 HA CYS 26 HA CYS 26 0.970 -3.450 -0.823 172 HB2 CYS 26 HB2 CYS 26 -0.781 -2.394 0.669 173 HB3 CYS 26 HB1 CYS 26 0.508 -1.392 1.326 174 H ALA 27 HN ALA 27 2.762 -2.875 -1.831 175 HA ALA 27 HA ALA 27 4.796 -2.014 -2.357 176 HB1 ALA 27 HB1 ALA 27 4.370 0.151 -1.695 177 HB2 ALA 27 HB2 ALA 27 5.753 -0.243 -0.680 178 HB3 ALA 27 HB3 ALA 27 4.122 -0.296 -0.012 Start of MODEL 18 1 H1 CYS 1 HT1 CYS 1 -6.862 6.506 4.059 2 H2 CYS 1 HT2 CYS 1 -7.500 5.030 3.535 3 H3 CYS 1 HT3 CYS 1 -7.596 6.394 2.539 4 HA CYS 1 HA CYS 1 -5.875 4.893 1.780 5 HB2 CYS 1 HB2 CYS 1 -5.720 7.586 1.978 6 HB3 CYS 1 HB1 CYS 1 -4.284 7.138 2.891 7 H ILE 2 HN ILE 2 -3.781 3.945 2.141 8 HA ILE 2 HA ILE 2 -3.039 3.630 4.961 9 HB ILE 2 HB ILE 2 -2.408 1.191 4.321 10 HG12 ILE 2 HG12 ILE 2 -4.775 0.829 2.731 11 HG13 ILE 2 HG11 ILE 2 -3.690 1.949 1.917 12 HG21 ILE 2 HG21 ILE 2 -4.010 1.779 6.033 13 HG22 ILE 2 HG22 ILE 2 -4.593 0.401 5.100 14 HG23 ILE 2 HG23 ILE 2 -5.265 2.007 4.815 15 HD11 ILE 2 HD11 ILE 2 -2.969 -0.816 2.877 16 HD12 ILE 2 HD12 ILE 2 -1.886 0.303 2.034 17 HD13 ILE 2 HD13 ILE 2 -3.310 -0.340 1.218 18 HA PRO 3 HA PRO 3 1.138 4.109 3.450 19 HB2 PRO 3 HB2 PRO 3 2.275 2.504 5.594 20 HB3 PRO 3 HB1 PRO 3 2.247 4.268 5.443 21 HG2 PRO 3 HG2 PRO 3 0.871 2.921 7.348 22 HG3 PRO 3 HG1 PRO 3 0.358 4.487 6.688 23 HD2 PRO 3 HD2 PRO 3 -0.620 1.742 5.999 24 HD3 PRO 3 HD1 PRO 3 -1.540 3.240 6.255 25 H ARG 4 HN ARG 4 3.219 2.085 4.128 26 HA ARG 4 HA ARG 4 2.531 0.070 2.098 27 HB2 ARG 4 HB2 ARG 4 5.102 1.431 2.807 28 HB3 ARG 4 HB1 ARG 4 5.129 -0.157 2.051 29 HG2 ARG 4 HG2 ARG 4 3.646 0.817 0.251 30 HG3 ARG 4 HG1 ARG 4 3.997 2.397 0.946 31 HD2 ARG 4 HD2 ARG 4 6.143 0.484 0.096 32 HD3 ARG 4 HD1 ARG 4 5.421 1.653 -1.006 33 HE ARG 4 HE ARG 4 6.333 2.931 1.357 34 HH11 ARG 4 HH11 ARG 4 7.550 1.549 -1.633 35 HH12 ARG 4 HH12 ARG 4 8.964 2.549 -1.653 36 HH21 ARG 4 HH21 ARG 4 8.190 4.230 1.310 37 HH22 ARG 4 HH22 ARG 4 9.325 4.065 0.012 38 H GLY 5 HN GLY 5 2.418 -1.942 2.603 39 HA2 GLY 5 HA2 GLY 5 3.361 -3.880 3.756 40 HA3 GLY 5 HA1 GLY 5 3.543 -2.859 5.173 41 H GLY 6 HN GLY 6 0.682 -2.405 3.326 42 HA2 GLY 6 HA2 GLY 6 -0.850 -4.058 5.219 43 HA3 GLY 6 HA1 GLY 6 -1.310 -2.396 4.891 44 H ILE 7 HN ILE 7 -0.406 -5.202 2.941 45 HA ILE 7 HA ILE 7 -1.173 -6.107 1.013 46 HB ILE 7 HB ILE 7 -3.495 -6.963 1.119 47 HG12 ILE 7 HG12 ILE 7 -4.400 -6.463 3.672 48 HG13 ILE 7 HG11 ILE 7 -3.808 -4.883 3.170 49 HG21 ILE 7 HG21 ILE 7 -1.720 -8.183 2.210 50 HG22 ILE 7 HG22 ILE 7 -3.212 -8.323 3.139 51 HG23 ILE 7 HG23 ILE 7 -1.935 -7.232 3.679 52 HD11 ILE 7 HD11 ILE 7 -5.210 -5.111 1.117 53 HD12 ILE 7 HD12 ILE 7 -6.111 -5.003 2.629 54 HD13 ILE 7 HD13 ILE 7 -5.904 -6.564 1.835 55 H CYS 8 HN CYS 8 -1.430 -5.418 -1.005 56 HA CYS 8 HA CYS 8 -3.570 -3.546 -1.639 57 HB2 CYS 8 HB2 CYS 8 -1.780 -1.990 -1.266 58 HB3 CYS 8 HB1 CYS 8 -0.663 -2.968 -2.201 59 H LEU 9 HN LEU 9 -1.568 -6.157 -2.595 60 HA LEU 9 HA LEU 9 -2.721 -6.077 -5.317 61 HB2 LEU 9 HB2 LEU 9 -0.143 -6.122 -4.925 62 HB3 LEU 9 HB1 LEU 9 -0.395 -7.813 -4.561 63 HG LEU 9 HG LEU 9 -1.622 -7.787 -6.913 64 HD11 LEU 9 HD11 LEU 9 0.418 -5.590 -7.229 65 HD12 LEU 9 HD12 LEU 9 -1.329 -5.349 -7.209 66 HD13 LEU 9 HD13 LEU 9 -0.584 -6.297 -8.495 67 HD21 LEU 9 HD21 LEU 9 0.277 -9.189 -6.328 68 HD22 LEU 9 HD22 LEU 9 1.373 -7.828 -6.561 69 HD23 LEU 9 HD23 LEU 9 0.489 -8.494 -7.934 70 H VAL 10 HN VAL 10 -2.799 -7.668 -2.349 71 HA VAL 10 HA VAL 10 -3.712 -10.203 -3.443 72 HB VAL 10 HB VAL 10 -2.056 -10.267 -1.639 73 HG11 VAL 10 HG11 VAL 10 -4.124 -8.797 -0.045 74 HG12 VAL 10 HG12 VAL 10 -2.450 -8.338 -0.376 75 HG13 VAL 10 HG13 VAL 10 -2.801 -9.692 0.701 76 HG21 VAL 10 HG21 VAL 10 -3.466 -12.197 -1.781 77 HG22 VAL 10 HG22 VAL 10 -4.741 -11.399 -0.859 78 HG23 VAL 10 HG23 VAL 10 -3.219 -11.822 -0.076 79 H ALA 11 HN ALA 11 -4.976 -7.398 -1.787 80 HA ALA 11 HA ALA 11 -7.692 -8.444 -2.138 81 HB1 ALA 11 HB1 ALA 11 -8.237 -8.410 0.028 82 HB2 ALA 11 HB2 ALA 11 -7.503 -6.824 0.253 83 HB3 ALA 11 HB3 ALA 11 -6.507 -8.276 0.354 84 H LEU 12 HN LEU 12 -5.760 -5.596 -1.396 85 HA LEU 12 HA LEU 12 -7.852 -3.780 -2.244 86 HB2 LEU 12 HB2 LEU 12 -5.500 -3.627 -0.614 87 HB3 LEU 12 HB1 LEU 12 -5.392 -2.407 -1.869 88 HG LEU 12 HG LEU 12 -7.833 -1.814 -1.089 89 HD11 LEU 12 HD11 LEU 12 -6.674 -3.101 1.381 90 HD12 LEU 12 HD12 LEU 12 -8.063 -3.685 0.466 91 HD13 LEU 12 HD13 LEU 12 -8.151 -2.140 1.309 92 HD21 LEU 12 HD21 LEU 12 -5.360 -1.096 0.477 93 HD22 LEU 12 HD22 LEU 12 -6.877 -0.197 0.488 94 HD23 LEU 12 HD23 LEU 12 -5.928 -0.309 -0.995 95 H SER 13 HN SER 13 -6.619 -1.755 -3.552 96 HA SER 13 HA SER 13 -5.487 -2.968 -5.978 97 HB2 SER 13 HB2 SER 13 -7.909 -2.355 -6.245 98 HB3 SER 13 HB1 SER 13 -7.457 -0.675 -5.962 99 HG SER 13 HG SER 13 -7.066 -0.624 -8.020 100 H GLY 14 HN GLY 14 -5.541 -0.298 -3.758 101 HA2 GLY 14 HA2 GLY 14 -2.914 0.524 -4.551 102 HA3 GLY 14 HA1 GLY 14 -4.139 1.681 -5.039 103 H CYS 15 HN CYS 15 -1.971 2.117 -3.233 104 HA CYS 15 HA CYS 15 -3.474 2.840 -0.806 105 HB2 CYS 15 HB2 CYS 15 -0.549 2.283 -0.582 106 HB3 CYS 15 HB1 CYS 15 -1.808 2.104 0.624 107 H CYS 16 HN CYS 16 -1.450 4.281 0.466 108 HA CYS 16 HA CYS 16 -1.219 6.617 -1.267 109 HB2 CYS 16 HB2 CYS 16 -1.211 6.147 1.663 110 HB3 CYS 16 HB1 CYS 16 -0.214 7.478 1.081 111 H ASN 17 HN ASN 17 0.906 7.919 -0.962 112 HA ASN 17 HA ASN 17 3.141 8.140 -1.372 113 HB2 ASN 17 HB2 ASN 17 3.570 5.497 0.054 114 HB3 ASN 17 HB1 ASN 17 4.725 6.807 -0.140 115 HD21 ASN 17 HD21 ASN 17 3.016 5.313 2.076 116 HD22 ASN 17 HD22 ASN 17 2.660 6.607 3.165 117 H SER 18 HN SER 18 4.700 5.333 -1.554 118 HA SER 18 HA SER 18 4.085 4.885 -4.403 119 HB2 SER 18 HB2 SER 18 6.691 4.444 -2.921 120 HB3 SER 18 HB1 SER 18 6.420 4.106 -4.630 121 HG SER 18 HG SER 18 5.816 6.667 -3.710 122 HA PRO 19 HA PRO 19 3.046 0.935 -2.336 123 HB2 PRO 19 HB2 PRO 19 0.427 0.828 -3.236 124 HB3 PRO 19 HB1 PRO 19 0.953 1.519 -1.693 125 HG2 PRO 19 HG2 PRO 19 -0.170 2.889 -3.927 126 HG3 PRO 19 HG1 PRO 19 0.383 3.571 -2.388 127 HD2 PRO 19 HD2 PRO 19 1.763 3.474 -4.997 128 HD3 PRO 19 HD1 PRO 19 1.991 4.588 -3.632 129 H GLY 20 HN GLY 20 4.385 -0.191 -3.680 130 HA2 GLY 20 HA2 GLY 20 3.878 -0.798 -6.405 131 HA3 GLY 20 HA1 GLY 20 4.966 -1.688 -5.354 132 H CYS 21 HN CYS 21 2.646 -2.193 -3.449 133 HA CYS 21 HA CYS 21 1.173 -3.830 -2.947 134 HB2 CYS 21 HB2 CYS 21 0.221 -3.745 -5.825 135 HB3 CYS 21 HB1 CYS 21 -0.732 -4.053 -4.375 136 H ILE 22 HN ILE 22 1.896 -5.694 -2.468 137 HA ILE 22 HA ILE 22 2.631 -7.578 -4.604 138 HB ILE 22 HB ILE 22 3.910 -8.002 -1.955 139 HG12 ILE 22 HG12 ILE 22 4.981 -5.878 -3.849 140 HG13 ILE 22 HG11 ILE 22 4.149 -5.519 -2.341 141 HG21 ILE 22 HG21 ILE 22 4.272 -9.543 -3.795 142 HG22 ILE 22 HG22 ILE 22 5.782 -8.724 -3.400 143 HG23 ILE 22 HG23 ILE 22 4.856 -8.228 -4.816 144 HD11 ILE 22 HD11 ILE 22 5.926 -6.369 -1.048 145 HD12 ILE 22 HD12 ILE 22 6.680 -5.406 -2.317 146 HD13 ILE 22 HD13 ILE 22 6.664 -7.164 -2.436 147 H PHE 23 HN PHE 23 2.613 -9.935 -3.571 148 HA PHE 23 HA PHE 23 -0.089 -10.367 -2.768 149 HB2 PHE 23 HB2 PHE 23 1.457 -11.834 -4.264 150 HB3 PHE 23 HB1 PHE 23 1.998 -12.523 -2.739 151 HD1 PHE 23 HD1 PHE 23 0.520 -13.890 -1.395 152 HD2 PHE 23 HD2 PHE 23 -0.783 -12.222 -5.087 153 HE1 PHE 23 HE1 PHE 23 -1.411 -15.416 -1.399 154 HE2 PHE 23 HE2 PHE 23 -2.716 -13.743 -5.098 155 HZ PHE 23 HZ PHE 23 -3.032 -15.343 -3.252 156 H GLY 24 HN GLY 24 -0.451 -9.498 -0.735 157 HA2 GLY 24 HA2 GLY 24 -0.830 -10.487 1.488 158 HA3 GLY 24 HA1 GLY 24 0.850 -10.964 1.473 159 H ILE 25 HN ILE 25 0.854 -7.849 0.237 160 HA ILE 25 HA ILE 25 0.514 -6.280 2.568 161 HB ILE 25 HB ILE 25 3.124 -5.684 2.616 162 HG12 ILE 25 HG12 ILE 25 4.430 -7.869 2.683 163 HG13 ILE 25 HG11 ILE 25 3.094 -8.577 1.778 164 HG21 ILE 25 HG21 ILE 25 3.375 -7.068 4.609 165 HG22 ILE 25 HG22 ILE 25 1.912 -7.951 4.168 166 HG23 ILE 25 HG23 ILE 25 1.821 -6.235 4.563 167 HD11 ILE 25 HD11 ILE 25 3.433 -6.938 0.006 168 HD12 ILE 25 HD12 ILE 25 4.884 -7.910 0.291 169 HD13 ILE 25 HD13 ILE 25 4.790 -6.252 0.903 170 H CYS 26 HN CYS 26 0.599 -4.064 2.058 171 HA CYS 26 HA CYS 26 0.904 -3.374 -0.703 172 HB2 CYS 26 HB2 CYS 26 -0.820 -2.279 0.641 173 HB3 CYS 26 HB1 CYS 26 0.400 -1.653 1.740 174 H ALA 27 HN ALA 27 3.222 -4.316 -0.447 175 HA ALA 27 HA ALA 27 5.445 -3.987 -0.759 176 HB1 ALA 27 HB1 ALA 27 4.686 -1.077 -0.646 177 HB2 ALA 27 HB2 ALA 27 5.087 -2.046 -2.059 178 HB3 ALA 27 HB3 ALA 27 6.343 -1.626 -0.897 Start of MODEL 19 1 H1 CYS 1 HT1 CYS 1 -6.094 6.852 4.607 2 H2 CYS 1 HT2 CYS 1 -6.742 5.703 3.548 3 H3 CYS 1 HT3 CYS 1 -6.500 7.293 3.025 4 HA CYS 1 HA CYS 1 -4.803 5.836 2.144 5 HB2 CYS 1 HB2 CYS 1 -4.190 8.067 3.999 6 HB3 CYS 1 HB1 CYS 1 -2.829 7.068 3.501 7 H ILE 2 HN ILE 2 -3.566 4.084 2.366 8 HA ILE 2 HA ILE 2 -3.089 3.089 5.088 9 HB ILE 2 HB ILE 2 -2.880 0.789 3.993 10 HG12 ILE 2 HG12 ILE 2 -4.716 1.902 1.875 11 HG13 ILE 2 HG11 ILE 2 -2.976 1.893 1.619 12 HG21 ILE 2 HG21 ILE 2 -5.307 0.417 4.176 13 HG22 ILE 2 HG22 ILE 2 -5.559 2.163 4.171 14 HG23 ILE 2 HG23 ILE 2 -4.672 1.403 5.493 15 HD11 ILE 2 HD11 ILE 2 -2.901 -0.487 1.735 16 HD12 ILE 2 HD12 ILE 2 -4.191 -0.032 0.620 17 HD13 ILE 2 HD13 ILE 2 -4.586 -0.568 2.253 18 HA PRO 3 HA PRO 3 1.221 3.704 3.986 19 HB2 PRO 3 HB2 PRO 3 1.930 2.313 6.462 20 HB3 PRO 3 HB1 PRO 3 2.154 4.019 6.039 21 HG2 PRO 3 HG2 PRO 3 0.403 3.221 7.910 22 HG3 PRO 3 HG1 PRO 3 0.130 4.643 6.883 23 HD2 PRO 3 HD2 PRO 3 -1.016 1.890 6.631 24 HD3 PRO 3 HD1 PRO 3 -1.807 3.469 6.445 25 H ARG 4 HN ARG 4 3.259 2.449 3.940 26 HA ARG 4 HA ARG 4 3.135 0.157 2.372 27 HB2 ARG 4 HB2 ARG 4 5.132 1.881 3.416 28 HB3 ARG 4 HB1 ARG 4 5.622 0.242 3.810 29 HG2 ARG 4 HG2 ARG 4 6.628 0.608 1.764 30 HG3 ARG 4 HG1 ARG 4 5.160 -0.260 1.323 31 HD2 ARG 4 HD2 ARG 4 5.432 1.558 -0.210 32 HD3 ARG 4 HD1 ARG 4 4.083 1.949 0.853 33 HE ARG 4 HE ARG 4 5.502 3.523 1.981 34 HH11 ARG 4 HH11 ARG 4 6.883 2.244 -0.984 35 HH12 ARG 4 HH12 ARG 4 8.001 3.555 -1.162 36 HH21 ARG 4 HH21 ARG 4 6.972 5.227 1.726 37 HH22 ARG 4 HH22 ARG 4 8.051 5.241 0.371 38 H GLY 5 HN GLY 5 2.625 -1.835 2.823 39 HA2 GLY 5 HA2 GLY 5 3.102 -3.899 3.966 40 HA3 GLY 5 HA1 GLY 5 3.362 -2.980 5.436 41 H GLY 6 HN GLY 6 0.685 -2.336 3.287 42 HA2 GLY 6 HA2 GLY 6 -1.136 -3.590 5.225 43 HA3 GLY 6 HA1 GLY 6 -1.407 -1.950 4.660 44 H ILE 7 HN ILE 7 -0.466 -4.893 2.936 45 HA ILE 7 HA ILE 7 -1.170 -5.882 1.023 46 HB ILE 7 HB ILE 7 -3.518 -6.734 1.078 47 HG12 ILE 7 HG12 ILE 7 -4.566 -6.342 3.509 48 HG13 ILE 7 HG11 ILE 7 -3.777 -4.780 3.321 49 HG21 ILE 7 HG21 ILE 7 -2.024 -7.007 3.676 50 HG22 ILE 7 HG22 ILE 7 -1.684 -7.897 2.192 51 HG23 ILE 7 HG23 ILE 7 -3.217 -8.135 3.031 52 HD11 ILE 7 HD11 ILE 7 -5.058 -4.288 1.386 53 HD12 ILE 7 HD12 ILE 7 -6.167 -4.843 2.639 54 HD13 ILE 7 HD13 ILE 7 -5.706 -5.925 1.324 55 H CYS 8 HN CYS 8 -1.590 -5.447 -1.075 56 HA CYS 8 HA CYS 8 -3.648 -3.556 -1.822 57 HB2 CYS 8 HB2 CYS 8 -1.867 -1.991 -1.398 58 HB3 CYS 8 HB1 CYS 8 -0.742 -2.939 -2.346 59 H LEU 9 HN LEU 9 -1.780 -6.268 -2.576 60 HA LEU 9 HA LEU 9 -2.810 -6.236 -5.349 61 HB2 LEU 9 HB2 LEU 9 -0.234 -6.164 -4.943 62 HB3 LEU 9 HB1 LEU 9 -0.419 -7.860 -4.555 63 HG LEU 9 HG LEU 9 -1.634 -7.924 -6.910 64 HD11 LEU 9 HD11 LEU 9 -0.620 -6.413 -8.513 65 HD12 LEU 9 HD12 LEU 9 0.277 -5.613 -7.223 66 HD13 LEU 9 HD13 LEU 9 -1.482 -5.500 -7.274 67 HD21 LEU 9 HD21 LEU 9 0.499 -8.557 -7.918 68 HD22 LEU 9 HD22 LEU 9 0.336 -9.219 -6.292 69 HD23 LEU 9 HD23 LEU 9 1.361 -7.811 -6.573 70 H VAL 10 HN VAL 10 -2.832 -7.747 -2.350 71 HA VAL 10 HA VAL 10 -3.586 -10.372 -3.312 72 HB VAL 10 HB VAL 10 -2.096 -10.279 -1.410 73 HG11 VAL 10 HG11 VAL 10 -2.517 -8.216 -0.391 74 HG12 VAL 10 HG12 VAL 10 -2.967 -9.430 0.812 75 HG13 VAL 10 HG13 VAL 10 -4.217 -8.603 -0.113 76 HG21 VAL 10 HG21 VAL 10 -3.314 -11.663 0.234 77 HG22 VAL 10 HG22 VAL 10 -3.569 -12.188 -1.430 78 HG23 VAL 10 HG23 VAL 10 -4.823 -11.275 -0.592 79 H ALA 11 HN ALA 11 -5.084 -7.576 -1.831 80 HA ALA 11 HA ALA 11 -7.733 -8.674 -2.437 81 HB1 ALA 11 HB1 ALA 11 -8.660 -8.064 -0.335 82 HB2 ALA 11 HB2 ALA 11 -7.171 -7.254 0.151 83 HB3 ALA 11 HB3 ALA 11 -7.209 -9.012 -0.006 84 H LEU 12 HN LEU 12 -5.824 -5.862 -1.595 85 HA LEU 12 HA LEU 12 -7.879 -4.017 -2.500 86 HB2 LEU 12 HB2 LEU 12 -5.627 -3.901 -0.725 87 HB3 LEU 12 HB1 LEU 12 -5.476 -2.643 -1.933 88 HG LEU 12 HG LEU 12 -8.068 -2.923 -0.485 89 HD11 LEU 12 HD11 LEU 12 -5.479 -2.018 0.662 90 HD12 LEU 12 HD12 LEU 12 -6.829 -2.852 1.435 91 HD13 LEU 12 HD13 LEU 12 -6.945 -1.129 1.078 92 HD21 LEU 12 HD21 LEU 12 -8.104 -0.494 -0.816 93 HD22 LEU 12 HD22 LEU 12 -7.884 -1.349 -2.343 94 HD23 LEU 12 HD23 LEU 12 -6.506 -0.573 -1.560 95 H SER 13 HN SER 13 -6.855 -2.034 -3.692 96 HA SER 13 HA SER 13 -4.983 -2.693 -5.801 97 HB2 SER 13 HB2 SER 13 -7.835 -1.859 -6.426 98 HB3 SER 13 HB1 SER 13 -6.533 -2.002 -7.607 99 HG SER 13 HG SER 13 -7.403 -3.947 -7.748 100 H GLY 14 HN GLY 14 -6.276 -0.608 -3.573 101 HA2 GLY 14 HA2 GLY 14 -4.997 1.720 -4.833 102 HA3 GLY 14 HA1 GLY 14 -6.578 1.864 -4.083 103 H CYS 15 HN CYS 15 -3.253 2.034 -3.635 104 HA CYS 15 HA CYS 15 -3.567 2.329 -0.712 105 HB2 CYS 15 HB2 CYS 15 -2.338 0.231 -1.494 106 HB3 CYS 15 HB1 CYS 15 -1.088 1.310 -2.083 107 H CYS 16 HN CYS 16 -1.869 3.790 0.250 108 HA CYS 16 HA CYS 16 -1.412 6.026 -1.590 109 HB2 CYS 16 HB2 CYS 16 -1.555 5.880 1.418 110 HB3 CYS 16 HB1 CYS 16 -1.061 7.333 0.550 111 H ASN 17 HN ASN 17 0.521 7.381 -1.238 112 HA ASN 17 HA ASN 17 2.746 7.810 -1.154 113 HB2 ASN 17 HB2 ASN 17 2.978 5.217 0.405 114 HB3 ASN 17 HB1 ASN 17 4.304 6.340 0.133 115 HD21 ASN 17 HD21 ASN 17 2.133 5.380 2.333 116 HD22 ASN 17 HD22 ASN 17 1.968 6.828 3.261 117 H SER 18 HN SER 18 4.484 5.063 -1.222 118 HA SER 18 HA SER 18 4.292 4.773 -4.154 119 HB2 SER 18 HB2 SER 18 6.458 5.706 -3.291 120 HB3 SER 18 HB1 SER 18 6.695 4.209 -2.391 121 HG SER 18 HG SER 18 6.132 3.634 -4.945 122 HA PRO 19 HA PRO 19 3.147 0.710 -2.427 123 HB2 PRO 19 HB2 PRO 19 0.569 0.639 -3.342 124 HB3 PRO 19 HB1 PRO 19 1.064 1.336 -1.788 125 HG2 PRO 19 HG2 PRO 19 0.002 2.695 -4.086 126 HG3 PRO 19 HG1 PRO 19 0.431 3.367 -2.502 127 HD2 PRO 19 HD2 PRO 19 1.983 3.367 -5.012 128 HD3 PRO 19 HD1 PRO 19 2.118 4.430 -3.595 129 H GLY 20 HN GLY 20 4.512 -0.364 -3.836 130 HA2 GLY 20 HA2 GLY 20 3.932 -0.908 -6.558 131 HA3 GLY 20 HA1 GLY 20 5.026 -1.838 -5.543 132 H CYS 21 HN CYS 21 2.548 -2.115 -3.650 133 HA CYS 21 HA CYS 21 1.082 -3.719 -3.077 134 HB2 CYS 21 HB2 CYS 21 0.160 -3.644 -5.972 135 HB3 CYS 21 HB1 CYS 21 -0.815 -3.987 -4.545 136 H ILE 22 HN ILE 22 1.936 -5.537 -2.507 137 HA ILE 22 HA ILE 22 2.540 -7.540 -4.582 138 HB ILE 22 HB ILE 22 3.868 -7.906 -1.954 139 HG12 ILE 22 HG12 ILE 22 4.905 -5.825 -3.910 140 HG13 ILE 22 HG11 ILE 22 4.122 -5.439 -2.384 141 HG21 ILE 22 HG21 ILE 22 4.762 -8.191 -4.827 142 HG22 ILE 22 HG22 ILE 22 4.176 -9.482 -3.779 143 HG23 ILE 22 HG23 ILE 22 5.702 -8.678 -3.416 144 HD11 ILE 22 HD11 ILE 22 5.962 -6.629 -1.212 145 HD12 ILE 22 HD12 ILE 22 6.492 -5.223 -2.129 146 HD13 ILE 22 HD13 ILE 22 6.760 -6.844 -2.768 147 H PHE 23 HN PHE 23 2.547 -9.854 -3.409 148 HA PHE 23 HA PHE 23 -0.157 -10.241 -2.594 149 HB2 PHE 23 HB2 PHE 23 1.393 -11.789 -4.001 150 HB3 PHE 23 HB1 PHE 23 1.931 -12.390 -2.438 151 HD1 PHE 23 HD1 PHE 23 -0.844 -12.223 -4.807 152 HD2 PHE 23 HD2 PHE 23 0.450 -13.683 -1.025 153 HE1 PHE 23 HE1 PHE 23 -2.777 -13.744 -4.738 154 HE2 PHE 23 HE2 PHE 23 -1.480 -15.208 -0.948 155 HZ PHE 23 HZ PHE 23 -3.096 -15.239 -2.806 156 H GLY 24 HN GLY 24 -0.496 -9.223 -0.619 157 HA2 GLY 24 HA2 GLY 24 -0.929 -10.015 1.651 158 HA3 GLY 24 HA1 GLY 24 0.703 -10.637 1.676 159 H ILE 25 HN ILE 25 0.701 -7.503 0.290 160 HA ILE 25 HA ILE 25 0.600 -5.863 2.566 161 HB ILE 25 HB ILE 25 3.235 -5.360 2.447 162 HG12 ILE 25 HG12 ILE 25 4.442 -7.596 2.637 163 HG13 ILE 25 HG11 ILE 25 3.038 -8.306 1.845 164 HG21 ILE 25 HG21 ILE 25 2.102 -7.502 4.225 165 HG22 ILE 25 HG22 ILE 25 1.892 -5.768 4.466 166 HG23 ILE 25 HG23 ILE 25 3.503 -6.482 4.551 167 HD11 ILE 25 HD11 ILE 25 4.737 -7.876 0.216 168 HD12 ILE 25 HD12 ILE 25 4.859 -6.189 0.733 169 HD13 ILE 25 HD13 ILE 25 3.385 -6.769 -0.049 170 H CYS 26 HN CYS 26 0.643 -3.723 1.996 171 HA CYS 26 HA CYS 26 0.866 -2.986 -0.745 172 HB2 CYS 26 HB2 CYS 26 -0.738 -1.786 0.548 173 HB3 CYS 26 HB1 CYS 26 0.429 -1.438 1.811 174 H ALA 27 HN ALA 27 2.920 -3.351 -1.492 175 HA ALA 27 HA ALA 27 5.093 -2.963 -2.014 176 HB1 ALA 27 HB1 ALA 27 6.035 -0.700 -0.929 177 HB2 ALA 27 HB2 ALA 27 4.306 -0.397 -0.771 178 HB3 ALA 27 HB3 ALA 27 5.001 -0.721 -2.353 Start of MODEL 20 1 H1 CYS 1 HT1 CYS 1 -6.780 5.665 3.540 2 H2 CYS 1 HT2 CYS 1 -6.678 4.580 2.247 3 H3 CYS 1 HT3 CYS 1 -6.757 6.243 1.951 4 HA CYS 1 HA CYS 1 -4.517 5.424 1.646 5 HB2 CYS 1 HB2 CYS 1 -5.277 7.459 3.624 6 HB3 CYS 1 HB1 CYS 1 -3.628 6.870 3.796 7 H ILE 2 HN ILE 2 -2.935 4.073 2.207 8 HA ILE 2 HA ILE 2 -2.798 3.025 4.922 9 HB ILE 2 HB ILE 2 -2.338 0.693 3.869 10 HG12 ILE 2 HG12 ILE 2 -4.391 1.487 1.836 11 HG13 ILE 2 HG11 ILE 2 -2.706 1.857 1.491 12 HG21 ILE 2 HG21 ILE 2 -4.722 0.118 4.130 13 HG22 ILE 2 HG22 ILE 2 -5.117 1.837 4.128 14 HG23 ILE 2 HG23 ILE 2 -4.128 1.161 5.423 15 HD11 ILE 2 HD11 ILE 2 -3.516 -0.275 0.524 16 HD12 ILE 2 HD12 ILE 2 -3.718 -0.897 2.161 17 HD13 ILE 2 HD13 ILE 2 -2.112 -0.454 1.575 18 HA PRO 3 HA PRO 3 1.553 3.583 4.024 19 HB2 PRO 3 HB2 PRO 3 2.330 2.141 6.404 20 HB3 PRO 3 HB1 PRO 3 2.263 3.894 6.161 21 HG2 PRO 3 HG2 PRO 3 0.627 2.530 7.865 22 HG3 PRO 3 HG1 PRO 3 0.218 4.085 7.114 23 HD2 PRO 3 HD2 PRO 3 -0.635 1.328 6.325 24 HD3 PRO 3 HD1 PRO 3 -1.574 2.835 6.380 25 H ARG 4 HN ARG 4 3.693 2.138 4.492 26 HA ARG 4 HA ARG 4 3.679 0.023 2.599 27 HB2 ARG 4 HB2 ARG 4 5.595 1.598 3.968 28 HB3 ARG 4 HB1 ARG 4 5.975 -0.074 4.340 29 HG2 ARG 4 HG2 ARG 4 7.251 0.366 2.468 30 HG3 ARG 4 HG1 ARG 4 5.838 -0.451 1.810 31 HD2 ARG 4 HD2 ARG 4 4.864 1.742 1.239 32 HD3 ARG 4 HD1 ARG 4 6.306 2.532 1.870 33 HE ARG 4 HE ARG 4 6.515 0.625 -0.360 34 HH11 ARG 4 HH11 ARG 4 6.960 3.883 0.876 35 HH12 ARG 4 HH12 ARG 4 7.876 4.402 -0.501 36 HH21 ARG 4 HH21 ARG 4 7.719 1.325 -2.146 37 HH22 ARG 4 HH22 ARG 4 8.303 2.954 -2.209 38 H GLY 5 HN GLY 5 2.830 -1.894 2.906 39 HA2 GLY 5 HA2 GLY 5 2.948 -4.069 3.873 40 HA3 GLY 5 HA1 GLY 5 3.374 -3.335 5.410 41 H GLY 6 HN GLY 6 0.713 -2.625 3.155 42 HA2 GLY 6 HA2 GLY 6 -1.177 -3.378 5.286 43 HA3 GLY 6 HA1 GLY 6 -1.346 -1.864 4.418 44 H ILE 7 HN ILE 7 -0.471 -4.993 3.075 45 HA ILE 7 HA ILE 7 -1.224 -6.197 1.310 46 HB ILE 7 HB ILE 7 -3.468 -7.170 1.559 47 HG12 ILE 7 HG12 ILE 7 -4.541 -6.331 3.932 48 HG13 ILE 7 HG11 ILE 7 -3.975 -4.810 3.252 49 HG21 ILE 7 HG21 ILE 7 -2.199 -6.927 4.272 50 HG22 ILE 7 HG22 ILE 7 -1.550 -7.916 2.965 51 HG23 ILE 7 HG23 ILE 7 -3.142 -8.275 3.636 52 HD11 ILE 7 HD11 ILE 7 -5.267 -5.260 1.217 53 HD12 ILE 7 HD12 ILE 7 -6.281 -5.202 2.659 54 HD13 ILE 7 HD13 ILE 7 -5.857 -6.756 1.941 55 H CYS 8 HN CYS 8 -1.613 -5.850 -0.777 56 HA CYS 8 HA CYS 8 -3.724 -4.008 -1.558 57 HB2 CYS 8 HB2 CYS 8 -1.680 -2.649 -1.402 58 HB3 CYS 8 HB1 CYS 8 -0.901 -3.727 -2.544 59 H LEU 9 HN LEU 9 -1.100 -5.606 -3.345 60 HA LEU 9 HA LEU 9 -2.673 -6.294 -5.567 61 HB2 LEU 9 HB2 LEU 9 -0.093 -6.234 -5.256 62 HB3 LEU 9 HB1 LEU 9 -0.275 -7.909 -4.781 63 HG LEU 9 HG LEU 9 -1.563 -8.086 -7.085 64 HD11 LEU 9 HD11 LEU 9 0.289 -5.748 -7.541 65 HD12 LEU 9 HD12 LEU 9 -1.473 -5.707 -7.606 66 HD13 LEU 9 HD13 LEU 9 -0.570 -6.647 -8.793 67 HD21 LEU 9 HD21 LEU 9 1.439 -7.943 -6.840 68 HD22 LEU 9 HD22 LEU 9 0.552 -8.732 -8.143 69 HD23 LEU 9 HD23 LEU 9 0.428 -9.346 -6.496 70 H VAL 10 HN VAL 10 -2.954 -7.554 -2.539 71 HA VAL 10 HA VAL 10 -3.726 -10.232 -3.393 72 HB VAL 10 HB VAL 10 -2.212 -10.109 -1.481 73 HG11 VAL 10 HG11 VAL 10 -2.434 -8.242 -0.231 74 HG12 VAL 10 HG12 VAL 10 -3.492 -9.282 0.732 75 HG13 VAL 10 HG13 VAL 10 -4.185 -8.175 -0.449 76 HG21 VAL 10 HG21 VAL 10 -3.499 -11.451 0.170 77 HG22 VAL 10 HG22 VAL 10 -3.652 -12.018 -1.492 78 HG23 VAL 10 HG23 VAL 10 -4.963 -11.100 -0.749 79 H ALA 11 HN ALA 11 -5.058 -7.295 -2.026 80 HA ALA 11 HA ALA 11 -7.769 -8.245 -2.590 81 HB1 ALA 11 HB1 ALA 11 -7.138 -6.857 -0.005 82 HB2 ALA 11 HB2 ALA 11 -7.246 -8.612 -0.156 83 HB3 ALA 11 HB3 ALA 11 -8.659 -7.607 -0.487 84 H LEU 12 HN LEU 12 -5.835 -5.508 -1.533 85 HA LEU 12 HA LEU 12 -7.755 -3.571 -2.492 86 HB2 LEU 12 HB2 LEU 12 -5.671 -3.628 -0.567 87 HB3 LEU 12 HB1 LEU 12 -5.245 -2.398 -1.741 88 HG LEU 12 HG LEU 12 -7.996 -2.382 -0.580 89 HD11 LEU 12 HD11 LEU 12 -6.579 -2.649 1.362 90 HD12 LEU 12 HD12 LEU 12 -7.194 -0.998 1.280 91 HD13 LEU 12 HD13 LEU 12 -5.532 -1.346 0.803 92 HD21 LEU 12 HD21 LEU 12 -7.502 -0.813 -2.355 93 HD22 LEU 12 HD22 LEU 12 -6.073 -0.244 -1.494 94 HD23 LEU 12 HD23 LEU 12 -7.680 0.058 -0.832 95 H SER 13 HN SER 13 -6.365 -1.536 -3.490 96 HA SER 13 HA SER 13 -4.511 -2.251 -5.557 97 HB2 SER 13 HB2 SER 13 -5.970 -1.395 -7.430 98 HB3 SER 13 HB1 SER 13 -6.484 -2.941 -6.758 99 HG SER 13 HG SER 13 -8.326 -2.009 -6.418 100 H GLY 14 HN GLY 14 -6.322 -0.008 -3.713 101 HA2 GLY 14 HA2 GLY 14 -4.845 2.254 -4.871 102 HA3 GLY 14 HA1 GLY 14 -6.396 2.383 -4.061 103 H CYS 15 HN CYS 15 -2.972 2.261 -3.694 104 HA CYS 15 HA CYS 15 -3.117 2.283 -0.775 105 HB2 CYS 15 HB2 CYS 15 -1.262 1.261 -2.563 106 HB3 CYS 15 HB1 CYS 15 -0.481 2.725 -1.974 107 H CYS 16 HN CYS 16 -1.474 3.986 0.251 108 HA CYS 16 HA CYS 16 -2.522 6.571 -0.474 109 HB2 CYS 16 HB2 CYS 16 -2.165 5.653 1.905 110 HB3 CYS 16 HB1 CYS 16 -0.481 6.111 1.671 111 H ASN 17 HN ASN 17 0.612 5.025 -0.491 112 HA ASN 17 HA ASN 17 1.721 7.344 -1.931 113 HB2 ASN 17 HB2 ASN 17 3.978 6.481 -1.058 114 HB3 ASN 17 HB1 ASN 17 2.905 7.227 0.115 115 HD21 ASN 17 HD21 ASN 17 3.555 4.007 -1.252 116 HD22 ASN 17 HD22 ASN 17 3.474 3.166 0.255 117 H SER 18 HN SER 18 4.185 5.661 -2.487 118 HA SER 18 HA SER 18 3.086 4.078 -4.713 119 HB2 SER 18 HB2 SER 18 5.734 5.557 -4.565 120 HB3 SER 18 HB1 SER 18 5.194 4.570 -5.923 121 HG SER 18 HG SER 18 4.795 6.834 -6.202 122 HA PRO 19 HA PRO 19 5.390 1.224 -1.929 123 HB2 PRO 19 HB2 PRO 19 3.218 -0.504 -1.526 124 HB3 PRO 19 HB1 PRO 19 3.700 0.827 -0.469 125 HG2 PRO 19 HG2 PRO 19 1.328 0.647 -1.982 126 HG3 PRO 19 HG1 PRO 19 1.911 2.025 -1.033 127 HD2 PRO 19 HD2 PRO 19 2.081 1.554 -3.952 128 HD3 PRO 19 HD1 PRO 19 2.005 3.081 -3.046 129 H GLY 20 HN GLY 20 3.214 0.275 -4.605 130 HA2 GLY 20 HA2 GLY 20 4.295 -0.964 -6.423 131 HA3 GLY 20 HA1 GLY 20 5.110 -1.900 -5.180 132 H CYS 21 HN CYS 21 2.675 -2.124 -3.508 133 HA CYS 21 HA CYS 21 1.008 -3.593 -3.106 134 HB2 CYS 21 HB2 CYS 21 0.401 -3.089 -6.044 135 HB3 CYS 21 HB1 CYS 21 -0.659 -3.988 -4.964 136 H ILE 22 HN ILE 22 1.753 -5.480 -2.550 137 HA ILE 22 HA ILE 22 2.404 -7.426 -4.657 138 HB ILE 22 HB ILE 22 3.781 -7.889 -2.093 139 HG12 ILE 22 HG12 ILE 22 4.638 -5.568 -3.861 140 HG13 ILE 22 HG11 ILE 22 3.932 -5.402 -2.261 141 HG21 ILE 22 HG21 ILE 22 4.110 -9.269 -4.082 142 HG22 ILE 22 HG22 ILE 22 5.615 -8.480 -3.613 143 HG23 ILE 22 HG23 ILE 22 4.683 -7.861 -4.977 144 HD11 ILE 22 HD11 ILE 22 5.878 -6.398 -1.255 145 HD12 ILE 22 HD12 ILE 22 6.372 -5.075 -2.312 146 HD13 ILE 22 HD13 ILE 22 6.565 -6.746 -2.841 147 H PHE 23 HN PHE 23 2.614 -9.733 -3.261 148 HA PHE 23 HA PHE 23 -0.120 -10.287 -2.651 149 HB2 PHE 23 HB2 PHE 23 1.658 -11.791 -3.812 150 HB3 PHE 23 HB1 PHE 23 2.100 -12.248 -2.172 151 HD1 PHE 23 HD1 PHE 23 -0.462 -12.453 -4.767 152 HD2 PHE 23 HD2 PHE 23 0.600 -13.558 -0.797 153 HE1 PHE 23 HE1 PHE 23 -2.277 -14.115 -4.748 154 HE2 PHE 23 HE2 PHE 23 -1.213 -15.222 -0.770 155 HZ PHE 23 HZ PHE 23 -2.654 -15.502 -2.748 156 H GLY 24 HN GLY 24 -0.772 -9.270 -0.810 157 HA2 GLY 24 HA2 GLY 24 -1.398 -9.611 1.424 158 HA3 GLY 24 HA1 GLY 24 0.034 -10.582 1.661 159 H ILE 25 HN ILE 25 0.430 -7.375 0.247 160 HA ILE 25 HA ILE 25 0.647 -5.814 2.548 161 HB ILE 25 HB ILE 25 3.291 -5.598 2.428 162 HG12 ILE 25 HG12 ILE 25 4.269 -7.978 2.458 163 HG13 ILE 25 HG11 ILE 25 2.825 -8.437 1.557 164 HG21 ILE 25 HG21 ILE 25 1.948 -6.036 4.439 165 HG22 ILE 25 HG22 ILE 25 3.497 -6.878 4.440 166 HG23 ILE 25 HG23 ILE 25 2.015 -7.760 4.077 167 HD11 ILE 25 HD11 ILE 25 4.850 -6.376 0.736 168 HD12 ILE 25 HD12 ILE 25 3.383 -6.795 -0.154 169 HD13 ILE 25 HD13 ILE 25 4.666 -7.997 0.054 170 H CYS 26 HN CYS 26 0.855 -3.697 1.983 171 HA CYS 26 HA CYS 26 1.377 -3.034 -0.784 172 HB2 CYS 26 HB2 CYS 26 -0.287 -1.967 1.138 173 HB3 CYS 26 HB1 CYS 26 1.044 -0.816 1.135 174 H ALA 27 HN ALA 27 3.585 -3.934 -0.506 175 HA ALA 27 HA ALA 27 5.835 -3.690 -0.576 176 HB1 ALA 27 HB1 ALA 27 6.806 -1.328 -0.125 177 HB2 ALA 27 HB2 ALA 27 5.126 -0.805 -0.224 178 HB3 ALA 27 HB3 ALA 27 5.876 -1.613 -1.594
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