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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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4922 |
1g1p ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 HT1 ASP 1 6.536 13.391 0.807 2 2H ASP 1 HT2 ASP 1 5.542 13.700 -0.461 3 3H ASP 1 HT3 ASP 1 6.334 12.288 -0.385 4 HA ASP 1 HA ASP 1 5.021 11.464 1.291 5 1HB ASP 1 HB2 ASP 1 4.985 13.641 2.650 6 2HB ASP 1 HB1 ASP 1 3.809 14.324 1.471 7 H ASP 2 HN ASP 2 2.785 10.569 0.658 8 HA ASP 2 HA ASP 2 1.285 11.397 -1.395 9 1HB ASP 2 HB2 ASP 2 2.039 9.621 -3.132 10 2HB ASP 2 HB1 ASP 2 3.107 11.051 -3.059 11 H CYS 3 HN CYS 3 0.550 8.575 -2.004 12 HA CYS 3 HA CYS 3 1.124 7.027 0.234 13 1HB CYS 3 HB2 CYS 3 -1.244 6.373 0.726 14 2HB CYS 3 HB1 CYS 3 -0.956 8.066 1.214 15 H ILE 4 HN ILE 4 0.016 4.837 -0.557 16 HA ILE 4 HA ILE 4 0.297 4.780 -3.455 17 HB ILE 4 HB ILE 4 -0.041 2.492 -1.468 18 1HG1 ILE 4 HG12 ILE 4 2.486 3.729 -2.750 19 2HG1 ILE 4 HG11 ILE 4 2.038 3.778 -1.015 20 1HG2 ILE 4 HG21 ILE 4 0.756 1.076 -3.362 21 2HG2 ILE 4 HG22 ILE 4 0.839 2.507 -4.445 22 3HG2 ILE 4 HG23 ILE 4 -0.748 1.899 -3.822 23 1HD1 ILE 4 HD11 ILE 4 2.144 1.222 -0.978 24 2HD1 ILE 4 HD12 ILE 4 3.712 2.067 -1.264 25 3HD1 ILE 4 HD13 ILE 4 2.851 1.296 -2.641 26 H LYS 5 HN LYS 5 -1.374 3.820 -4.706 27 HA LYS 5 HA LYS 5 -3.779 5.196 -4.195 28 1HB LYS 5 HB2 LYS 5 -2.639 5.069 -6.449 29 2HB LYS 5 HB1 LYS 5 -2.893 3.290 -6.454 30 1HG LYS 5 HG2 LYS 5 -5.393 3.689 -6.514 31 2HG LYS 5 HG1 LYS 5 -5.079 5.458 -6.635 32 1HD LYS 5 HD2 LYS 5 -3.851 5.088 -8.777 33 2HD LYS 5 HD1 LYS 5 -4.031 3.305 -8.583 34 1HE LYS 5 HE2 LYS 5 -6.539 3.538 -8.720 35 2HE LYS 5 HE1 LYS 5 -6.344 5.319 -9.003 36 1HZ LYS 5 HZ1 LYS 5 -6.578 4.090 -11.025 37 2HZ LYS 5 HZ2 LYS 5 -5.275 3.171 -10.708 38 3HZ LYS 5 HZ3 LYS 5 -5.101 4.768 -10.972 39 HA HYP 6 HA HYP 6 -5.800 1.507 -2.677 40 1HB HYP 6 HB1 HYP 6 -8.131 1.978 -2.252 41 2HB HYP 6 HB2 HYP 6 -8.322 2.780 -3.858 42 1HD HYP 6 HD1 HYP 6 -6.614 4.902 -4.310 43 2HD HYP 6 HD2 HYP 6 -5.497 5.211 -2.911 44 HOD HYP 6 HOD HYP 6 -6.749 2.954 -0.889 45 HG HYP 6 HG HYP 6 -8.122 4.724 -2.367 46 H TYR 7 HN TYR 7 -5.932 -0.508 -3.697 47 HA TYR 7 HA TYR 7 -5.886 -1.985 -5.172 48 1HB TYR 7 HB2 TYR 7 -7.551 -0.348 -7.134 49 2HB TYR 7 HB1 TYR 7 -7.356 -2.144 -7.082 50 HD1 TYR 7 HD1 TYR 7 -7.801 -2.958 -4.330 51 HD2 TYR 7 HD2 TYR 7 -9.665 0.279 -6.470 52 HE1 TYR 7 HE1 TYR 7 -9.675 -2.999 -2.753 53 HE2 TYR 7 HE2 TYR 7 -11.560 0.229 -4.894 54 HH TYR 7 HH TYR 7 -11.539 -1.829 -1.984 55 H GLY 8 HN GLY 8 -3.892 0.363 -5.197 56 1HA GLY 8 HA2 GLY 8 -2.681 -0.275 -7.804 57 2HA GLY 8 HA1 GLY 8 -2.218 1.017 -6.611 58 H PHE 9 HN PHE 9 -0.103 -0.651 -7.356 59 HA PHE 9 HA PHE 9 -0.089 -2.997 -5.701 60 1HB PHE 9 HB2 PHE 9 2.269 -1.763 -7.271 61 2HB PHE 9 HB1 PHE 9 2.160 -3.443 -6.627 62 HD1 PHE 9 HD1 PHE 9 1.950 -1.569 -9.552 63 HD2 PHE 9 HD2 PHE 9 -0.114 -4.724 -7.477 64 HE1 PHE 9 HE1 PHE 9 0.997 -2.355 -11.689 65 HE2 PHE 9 HE2 PHE 9 -1.078 -5.495 -9.622 66 HZ PHE 9 HZ PHE 9 -0.521 -4.316 -11.731 67 H CYS 10 HN CYS 10 0.876 -3.183 -3.667 68 HA CYS 10 HA CYS 10 2.493 -0.888 -2.739 69 1HB CYS 10 HB2 CYS 10 1.543 -1.393 -0.418 70 2HB CYS 10 HB1 CYS 10 0.412 -0.683 -1.589 71 H SER 11 HN SER 11 2.781 -3.939 -3.857 72 HA SER 11 HA SER 11 4.183 -5.165 -1.703 73 1HB SER 11 HB2 SER 11 4.857 -6.761 -3.637 74 2HB SER 11 HB1 SER 11 3.087 -6.590 -3.374 75 HG SER 11 HG SER 11 4.706 -5.279 -5.269 76 H LEU 12 HN LEU 12 5.446 -3.035 -1.377 77 HA LEU 12 HA LEU 12 7.599 -2.697 -3.320 78 1HB LEU 12 HB2 LEU 12 6.956 -1.049 -0.833 79 2HB LEU 12 HB1 LEU 12 8.241 -0.707 -2.038 80 HG LEU 12 HG LEU 12 5.195 -0.656 -2.483 81 1HD1 LEU 12 HD11 LEU 12 7.332 1.573 -2.562 82 2HD1 LEU 12 HD12 LEU 12 6.110 1.297 -1.265 83 3HD1 LEU 12 HD13 LEU 12 5.576 1.778 -2.913 84 1HD2 LEU 12 HD21 LEU 12 5.664 0.183 -4.800 85 2HD2 LEU 12 HD22 LEU 12 6.200 -1.514 -4.583 86 3HD2 LEU 12 HD23 LEU 12 7.417 -0.179 -4.575 87 HA PRO 13 HA PRO 13 9.845 -5.052 -0.102 88 1HB PRO 13 HB2 PRO 13 12.195 -5.566 -1.462 89 2HB PRO 13 HB1 PRO 13 10.655 -6.405 -1.883 90 1HG PRO 13 HG1 PRO 13 11.879 -3.951 -3.249 91 2HG PRO 13 HG2 PRO 13 11.243 -5.462 -4.025 92 1HD PRO 13 HD1 PRO 13 9.738 -3.116 -3.734 93 2HD PRO 13 HD2 PRO 13 8.966 -4.769 -3.682 94 H ILE 14 HN ILE 14 9.615 -2.684 0.910 95 HA ILE 14 HA ILE 14 12.275 -1.691 1.316 96 HB ILE 14 HB ILE 14 9.801 0.114 0.934 97 1HG1 ILE 14 HG12 ILE 14 12.166 -0.148 -1.015 98 2HG1 ILE 14 HG11 ILE 14 10.507 -0.767 -1.293 99 1HG2 ILE 14 HG21 ILE 14 11.506 0.878 2.631 100 2HG2 ILE 14 HG22 ILE 14 11.471 1.979 1.219 101 3HG2 ILE 14 HG23 ILE 14 12.800 0.774 1.376 102 1HD1 ILE 14 HD11 ILE 14 10.761 1.369 -2.469 103 2HD1 ILE 14 HD12 ILE 14 11.269 2.205 -0.963 104 3HD1 ILE 14 HD13 ILE 14 9.586 1.573 -1.117 105 H LEU 15 HN LEU 15 12.160 -1.262 3.693 106 HA LEU 15 HA LEU 15 9.920 -2.738 4.832 107 1HB LEU 15 HB2 LEU 15 12.484 -1.684 6.165 108 2HB LEU 15 HB1 LEU 15 11.259 -2.758 6.918 109 HG LEU 15 HG LEU 15 13.070 -3.452 4.516 110 1HD1 LEU 15 HD11 LEU 15 13.184 -4.431 7.438 111 2HD1 LEU 15 HD12 LEU 15 14.328 -3.279 6.652 112 3HD1 LEU 15 HD13 LEU 15 14.238 -4.986 6.081 113 1HD2 LEU 15 HD21 LEU 15 12.251 -5.807 4.816 114 2HD2 LEU 15 HD22 LEU 15 10.941 -4.694 4.299 115 3HD2 LEU 15 HD23 LEU 15 11.041 -5.232 6.020 116 H LYS 16 HN LYS 16 8.432 -1.734 6.058 117 HA LYS 16 HA LYS 16 7.198 -0.197 6.997 118 1HB LYS 16 HB2 LYS 16 9.642 1.618 7.258 119 2HB LYS 16 HB1 LYS 16 8.046 1.872 8.037 120 1HG LYS 16 HG2 LYS 16 8.328 -0.251 9.335 121 2HG LYS 16 HG1 LYS 16 9.933 -0.514 8.577 122 1HD LYS 16 HD2 LYS 16 9.123 1.859 10.379 123 2HD LYS 16 HD1 LYS 16 10.093 0.440 10.889 124 1HE LYS 16 HE2 LYS 16 10.955 2.571 8.803 125 2HE LYS 16 HE1 LYS 16 11.561 2.404 10.493 126 1HZ LYS 16 HZ1 LYS 16 13.027 1.419 8.915 127 2HZ LYS 16 HZ2 LYS 16 11.877 0.417 8.350 128 3HZ LYS 16 HZ3 LYS 16 12.417 0.257 9.878 129 H ASN 17 HN ASN 17 6.527 -0.381 4.526 130 HA ASN 17 HA ASN 17 6.140 2.166 3.585 131 1HB ASN 17 HB2 ASN 17 8.591 1.458 2.658 132 2HB ASN 17 HB1 ASN 17 7.659 0.353 1.594 133 1HD2 ASN 17 HD22 ASN 17 9.166 3.268 1.479 134 2HD2 ASN 17 HD21 ASN 17 8.099 4.170 0.455 135 H GLY 18 HN GLY 18 5.158 1.147 1.124 136 1HA GLY 18 HA2 GLY 18 3.556 -0.249 0.304 137 2HA GLY 18 HA1 GLY 18 3.592 -1.227 1.828 138 H LEU 19 HN LEU 19 3.346 2.330 1.448 139 HA LEU 19 HA LEU 19 1.345 2.291 3.498 140 1HB LEU 19 HB2 LEU 19 2.606 4.726 2.114 141 2HB LEU 19 HB1 LEU 19 1.682 4.711 3.653 142 HG LEU 19 HG LEU 19 4.437 3.454 3.096 143 1HD1 LEU 19 HD11 LEU 19 3.647 5.880 4.832 144 2HD1 LEU 19 HD12 LEU 19 4.466 5.931 3.225 145 3HD1 LEU 19 HD13 LEU 19 5.306 5.198 4.640 146 1HD2 LEU 19 HD21 LEU 19 3.328 2.021 4.771 147 2HD2 LEU 19 HD22 LEU 19 2.837 3.465 5.738 148 3HD2 LEU 19 HD23 LEU 19 4.579 3.024 5.577 149 H CYS 20 HN CYS 20 -0.554 1.574 2.479 150 HA CYS 20 HA CYS 20 -1.571 2.919 0.155 151 1HB CYS 20 HB2 CYS 20 -2.872 0.975 2.155 152 2HB CYS 20 HB1 CYS 20 -3.601 1.470 0.594 153 H CYS 21 HN CYS 21 -3.265 4.463 0.079 154 HA CYS 21 HA CYS 21 -3.765 5.968 2.425 155 1HB CYS 21 HB2 CYS 21 -4.819 5.992 -0.410 156 2HB CYS 21 HB1 CYS 21 -5.918 6.660 0.822 157 H SER 22 HN SER 22 -5.518 3.243 0.895 158 HA SER 22 HA SER 22 -7.629 3.448 2.849 159 1HB SER 22 HB2 SER 22 -8.406 1.317 1.604 160 2HB SER 22 HB1 SER 22 -8.381 2.856 0.680 161 HG SER 22 HG SER 22 -6.810 0.585 0.481 162 H GLY 23 HN GLY 23 -4.491 2.594 3.270 163 1HA GLY 23 HA2 GLY 23 -3.805 1.832 5.210 164 2HA GLY 23 HA1 GLY 23 -5.378 1.018 5.515 165 H ALA 24 HN ALA 24 -5.693 -0.938 3.710 166 HA ALA 24 HA ALA 24 -3.573 -2.574 4.882 167 1HB ALA 24 HB1 ALA 24 -5.934 -3.282 5.274 168 2HB ALA 24 HB2 ALA 24 -5.020 -4.536 4.366 169 3HB ALA 24 HB3 ALA 24 -6.176 -3.453 3.499 170 H CYS 25 HN CYS 25 -2.473 -4.346 3.593 171 HA CYS 25 HA CYS 25 -2.339 -3.693 0.748 172 1HB CYS 25 HB2 CYS 25 -0.355 -2.601 1.929 173 2HB CYS 25 HB1 CYS 25 0.032 -4.177 2.682 174 H VAL 26 HN VAL 26 -2.505 -5.613 -0.398 175 HA VAL 26 HA VAL 26 -1.764 -8.087 0.967 176 HB VAL 26 HB VAL 26 -4.217 -7.779 1.233 177 1HG1 VAL 26 HG11 VAL 26 -4.363 -7.808 -1.855 178 2HG1 VAL 26 HG12 VAL 26 -4.632 -6.365 -0.807 179 3HG1 VAL 26 HG13 VAL 26 -5.741 -7.774 -0.699 180 1HG2 VAL 26 HG21 VAL 26 -3.213 -10.043 1.103 181 2HG2 VAL 26 HG22 VAL 26 -3.440 -10.069 -0.687 182 3HG2 VAL 26 HG23 VAL 26 -4.870 -10.014 0.405 183 H GLY 27 HN GLY 27 -0.320 -6.262 -0.649 184 1HA GLY 27 HA2 GLY 27 1.190 -6.721 -2.311 185 2HA GLY 27 HA1 GLY 27 0.005 -7.818 -3.136 186 H VAL 28 HN VAL 28 -2.257 -6.482 -3.228 187 HA VAL 28 HA VAL 28 -1.696 -3.871 -4.456 188 HB VAL 28 HB VAL 28 -4.100 -3.876 -5.144 189 1HG1 VAL 28 HG11 VAL 28 -3.710 -5.404 -7.086 190 2HG1 VAL 28 HG12 VAL 28 -2.299 -6.142 -6.236 191 3HG1 VAL 28 HG13 VAL 28 -2.264 -4.399 -6.712 192 1HG2 VAL 28 HG21 VAL 28 -4.006 -6.869 -4.313 193 2HG2 VAL 28 HG22 VAL 28 -5.335 -6.031 -5.185 194 3HG2 VAL 28 HG23 VAL 28 -4.959 -5.575 -3.491 195 H CYS 29 HN CYS 29 -2.935 -2.085 -3.622 196 HA CYS 29 HA CYS 29 -3.222 -2.167 -0.781 197 1HB CYS 29 HB2 CYS 29 -4.068 -0.099 -2.886 198 2HB CYS 29 HB1 CYS 29 -4.386 0.140 -1.136 199 H ALA 30 HN ALA 30 -4.974 -2.500 0.451 200 HA ALA 30 HA ALA 30 -7.539 -2.922 -0.942 201 1HB ALA 30 HB1 ALA 30 -6.404 -4.579 1.413 202 2HB ALA 30 HB2 ALA 30 -6.518 -5.157 -0.286 203 3HB ALA 30 HB3 ALA 30 -8.018 -4.806 0.621 204 H ASP 31 HN ASP 31 -8.684 -3.439 1.838 205 HA ASP 31 HA ASP 31 -8.402 -0.980 3.150 206 1HB ASP 31 HB2 ASP 31 -10.920 -0.463 2.857 207 2HB ASP 31 HB1 ASP 31 -9.949 -0.103 1.398 208 H LEU 32 HN LEU 32 -10.184 -1.307 5.025 209 HA LEU 32 HA LEU 32 -11.339 -3.775 5.264 210 1HB LEU 32 HB2 LEU 32 -8.921 -4.347 6.126 211 2HB LEU 32 HB1 LEU 32 -9.106 -2.998 7.292 212 HG LEU 32 HG LEU 32 -11.039 -4.228 8.360 213 1HD1 LEU 32 HD11 LEU 32 -11.404 -6.659 7.823 214 2HD1 LEU 32 HD12 LEU 32 -10.304 -6.508 6.405 215 3HD1 LEU 32 HD13 LEU 32 -11.863 -5.602 6.447 216 1HD2 LEU 32 HD21 LEU 32 -9.698 -5.939 9.515 217 2HD2 LEU 32 HD22 LEU 32 -8.717 -4.451 9.243 218 3HD2 LEU 32 HD23 LEU 32 -8.460 -5.899 8.203 219 1HN NH2 33 H1 NH2 33 -12.877 -1.465 7.748 220 2HN NH2 33 H2 NH2 33 -12.636 -3.166 7.498 Start of MODEL 2 1 1H ASP 1 HT1 ASP 1 2.943 7.051 -3.751 2 2H ASP 1 HT2 ASP 1 2.029 6.976 -5.111 3 3H ASP 1 HT3 ASP 1 1.324 7.199 -3.642 4 HA ASP 1 HA ASP 1 3.148 9.100 -4.915 5 1HB ASP 1 HB2 ASP 1 0.090 9.262 -4.318 6 2HB ASP 1 HB1 ASP 1 1.089 10.650 -4.899 7 H ASP 2 HN ASP 2 1.083 10.743 -2.901 8 HA ASP 2 HA ASP 2 2.808 10.801 -0.702 9 1HB ASP 2 HB2 ASP 2 -0.170 11.596 -0.924 10 2HB ASP 2 HB1 ASP 2 0.940 12.101 0.406 11 H CYS 3 HN CYS 3 0.123 8.678 -1.594 12 HA CYS 3 HA CYS 3 0.986 6.940 0.464 13 1HB CYS 3 HB2 CYS 3 -1.428 6.163 0.910 14 2HB CYS 3 HB1 CYS 3 -0.939 7.674 1.724 15 H ILE 4 HN ILE 4 -0.012 4.716 -0.417 16 HA ILE 4 HA ILE 4 0.163 4.897 -3.341 17 HB ILE 4 HB ILE 4 0.291 2.433 -1.556 18 1HG1 ILE 4 HG12 ILE 4 2.437 4.196 -2.884 19 2HG1 ILE 4 HG11 ILE 4 2.265 3.721 -1.159 20 1HG2 ILE 4 HG21 ILE 4 -0.682 1.964 -3.832 21 2HG2 ILE 4 HG22 ILE 4 0.939 1.257 -3.677 22 3HG2 ILE 4 HG23 ILE 4 0.727 2.784 -4.611 23 1HD1 ILE 4 HD11 ILE 4 2.691 1.283 -1.892 24 2HD1 ILE 4 HD12 ILE 4 4.086 2.402 -2.100 25 3HD1 ILE 4 HD13 ILE 4 3.106 1.909 -3.525 26 H LYS 5 HN LYS 5 -1.499 4.263 -4.598 27 HA LYS 5 HA LYS 5 -3.938 5.184 -3.671 28 1HB LYS 5 HB2 LYS 5 -2.949 5.594 -5.957 29 2HB LYS 5 HB1 LYS 5 -3.016 3.826 -6.284 30 1HG LYS 5 HG2 LYS 5 -5.564 3.978 -6.192 31 2HG LYS 5 HG1 LYS 5 -5.402 5.749 -5.966 32 1HD LYS 5 HD2 LYS 5 -5.920 5.240 -8.295 33 2HD LYS 5 HD1 LYS 5 -4.264 5.924 -8.193 34 1HE LYS 5 HE2 LYS 5 -4.407 4.028 -9.827 35 2HE LYS 5 HE1 LYS 5 -3.286 3.613 -8.473 36 1HZ LYS 5 HZ1 LYS 5 -4.764 1.828 -9.008 37 2HZ LYS 5 HZ2 LYS 5 -6.083 2.733 -8.720 38 3HZ LYS 5 HZ3 LYS 5 -5.078 2.351 -7.502 39 HA HYP 6 HA HYP 6 -5.666 1.219 -2.705 40 1HB HYP 6 HB1 HYP 6 -7.996 1.463 -2.191 41 2HB HYP 6 HB2 HYP 6 -8.332 2.227 -3.788 42 1HD HYP 6 HD1 HYP 6 -6.880 4.508 -4.271 43 2HD HYP 6 HD2 HYP 6 -5.877 5.053 -2.863 44 HOD HYP 6 HOD HYP 6 -6.999 2.709 -0.707 45 HG HYP 6 HG HYP 6 -8.386 4.193 -2.328 46 H TYR 7 HN TYR 7 -5.794 -0.737 -3.899 47 HA TYR 7 HA TYR 7 -5.738 -2.059 -5.534 48 1HB TYR 7 HB2 TYR 7 -7.531 -0.213 -7.192 49 2HB TYR 7 HB1 TYR 7 -7.233 -1.972 -7.472 50 HD1 TYR 7 HD1 TYR 7 -9.235 0.457 -5.701 51 HD2 TYR 7 HD2 TYR 7 -7.837 -3.602 -5.532 52 HE1 TYR 7 HE1 TYR 7 -11.021 -0.085 -4.085 53 HE2 TYR 7 HE2 TYR 7 -9.616 -4.155 -3.920 54 HH TYR 7 HH TYR 7 -11.399 -3.361 -2.704 55 H GLY 8 HN GLY 8 -3.674 0.031 -5.278 56 1HA GLY 8 HA2 GLY 8 -2.512 -0.367 -7.949 57 2HA GLY 8 HA1 GLY 8 -2.122 0.990 -6.788 58 H PHE 9 HN PHE 9 -0.114 -0.994 -7.610 59 HA PHE 9 HA PHE 9 -0.276 -3.273 -6.001 60 1HB PHE 9 HB2 PHE 9 2.181 -2.154 -7.491 61 2HB PHE 9 HB1 PHE 9 1.998 -3.837 -6.859 62 HD1 PHE 9 HD1 PHE 9 -0.147 -5.128 -7.650 63 HD2 PHE 9 HD2 PHE 9 1.545 -1.769 -9.738 64 HE1 PHE 9 HE1 PHE 9 -1.291 -5.836 -9.721 65 HE2 PHE 9 HE2 PHE 9 0.405 -2.487 -11.811 66 HZ PHE 9 HZ PHE 9 -1.017 -4.518 -11.811 67 H CYS 10 HN CYS 10 1.193 -4.049 -4.239 68 HA CYS 10 HA CYS 10 3.195 -2.397 -3.348 69 1HB CYS 10 HB2 CYS 10 2.553 -1.881 -1.057 70 2HB CYS 10 HB1 CYS 10 1.443 -1.052 -2.176 71 H SER 11 HN SER 11 3.643 -3.914 -0.969 72 HA SER 11 HA SER 11 3.327 -6.664 -2.035 73 1HB SER 11 HB2 SER 11 5.610 -7.124 -1.011 74 2HB SER 11 HB1 SER 11 5.610 -6.035 -2.440 75 HG SER 11 HG SER 11 5.658 -4.247 -0.922 76 H LEU 12 HN LEU 12 4.647 -5.378 1.091 77 HA LEU 12 HA LEU 12 2.295 -6.075 2.482 78 1HB LEU 12 HB2 LEU 12 5.054 -7.395 3.069 79 2HB LEU 12 HB1 LEU 12 3.761 -7.274 4.308 80 HG LEU 12 HG LEU 12 3.523 -8.831 1.668 81 1HD1 LEU 12 HD11 LEU 12 4.040 -9.888 4.524 82 2HD1 LEU 12 HD12 LEU 12 5.246 -9.820 3.185 83 3HD1 LEU 12 HD13 LEU 12 3.801 -10.882 3.038 84 1HD2 LEU 12 HD21 LEU 12 1.491 -9.855 2.682 85 2HD2 LEU 12 HD22 LEU 12 1.297 -8.074 2.544 86 3HD2 LEU 12 HD23 LEU 12 1.667 -8.816 4.146 87 HA PRO 13 HA PRO 13 4.208 -2.471 4.142 88 1HB PRO 13 HB2 PRO 13 3.726 -3.605 6.961 89 2HB PRO 13 HB1 PRO 13 3.379 -1.932 6.365 90 1HG PRO 13 HG1 PRO 13 1.346 -3.743 6.572 91 2HG PRO 13 HG2 PRO 13 1.474 -2.740 5.067 92 1HD PRO 13 HD1 PRO 13 2.423 -5.634 5.492 93 2HD PRO 13 HD2 PRO 13 1.502 -4.914 4.093 94 H ILE 14 HN ILE 14 6.457 -2.223 3.827 95 HA ILE 14 HA ILE 14 8.167 -2.868 5.879 96 HB ILE 14 HB ILE 14 8.162 -5.111 4.781 97 1HG1 ILE 14 HG12 ILE 14 10.784 -3.609 4.180 98 2HG1 ILE 14 HG11 ILE 14 10.250 -4.171 5.805 99 1HG2 ILE 14 HG21 ILE 14 8.899 -5.398 2.417 100 2HG2 ILE 14 HG22 ILE 14 8.972 -3.615 2.190 101 3HG2 ILE 14 HG23 ILE 14 7.401 -4.438 2.516 102 1HD1 ILE 14 HD11 ILE 14 11.799 -5.830 4.855 103 2HD1 ILE 14 HD12 ILE 14 10.823 -5.964 3.349 104 3HD1 ILE 14 HD13 ILE 14 10.145 -6.542 4.913 105 H LEU 15 HN LEU 15 10.211 -1.614 5.060 106 HA LEU 15 HA LEU 15 10.970 0.328 4.504 107 1HB LEU 15 HB2 LEU 15 9.670 -0.150 1.771 108 2HB LEU 15 HB1 LEU 15 10.936 1.090 2.131 109 HG LEU 15 HG LEU 15 11.287 -1.960 2.338 110 1HD1 LEU 15 HD11 LEU 15 12.674 -1.726 0.275 111 2HD1 LEU 15 HD12 LEU 15 12.270 0.029 0.188 112 3HD1 LEU 15 HD13 LEU 15 10.974 -1.208 -0.011 113 1HD2 LEU 15 HD21 LEU 15 13.380 0.307 2.591 114 2HD2 LEU 15 HD22 LEU 15 13.736 -1.457 2.501 115 3HD2 LEU 15 HD23 LEU 15 12.837 -0.803 3.909 116 H LYS 16 HN LYS 16 8.920 1.683 2.201 117 HA LYS 16 HA LYS 16 6.872 2.458 4.106 118 1HB LYS 16 HB2 LYS 16 8.432 4.446 2.327 119 2HB LYS 16 HB1 LYS 16 6.924 4.838 3.213 120 1HG LYS 16 HG2 LYS 16 9.587 4.011 4.516 121 2HG LYS 16 HG1 LYS 16 9.012 5.703 4.319 122 1HD LYS 16 HD2 LYS 16 7.074 5.298 5.776 123 2HD LYS 16 HD1 LYS 16 7.472 3.556 5.924 124 1HE LYS 16 HE2 LYS 16 9.260 5.865 6.947 125 2HE LYS 16 HE1 LYS 16 8.161 4.842 7.959 126 1HZ LYS 16 HZ1 LYS 16 10.468 3.889 6.410 127 2HZ LYS 16 HZ2 LYS 16 9.457 2.946 7.264 128 3HZ LYS 16 HZ3 LYS 16 10.381 4.046 8.028 129 H ASN 17 HN ASN 17 6.827 0.371 2.242 130 HA ASN 17 HA ASN 17 5.509 1.602 -0.080 131 1HB ASN 17 HB2 ASN 17 5.499 -0.261 -1.333 132 2HB ASN 17 HB1 ASN 17 7.085 -0.373 -0.513 133 1HD2 ASN 17 HD22 ASN 17 6.774 -1.761 1.802 134 2HD2 ASN 17 HD21 ASN 17 5.731 -3.155 1.660 135 H GLY 18 HN GLY 18 4.777 -0.252 2.901 136 1HA GLY 18 HA2 GLY 18 1.987 -0.423 2.214 137 2HA GLY 18 HA1 GLY 18 2.813 -0.850 3.760 138 H LEU 19 HN LEU 19 2.332 2.081 1.791 139 HA LEU 19 HA LEU 19 1.042 3.402 4.105 140 1HB LEU 19 HB2 LEU 19 2.650 4.719 1.806 141 2HB LEU 19 HB1 LEU 19 1.656 5.604 3.013 142 HG LEU 19 HG LEU 19 4.211 3.978 3.563 143 1HD1 LEU 19 HD11 LEU 19 3.693 7.025 3.540 144 2HD1 LEU 19 HD12 LEU 19 4.644 6.081 2.335 145 3HD1 LEU 19 HD13 LEU 19 5.231 6.226 4.033 146 1HD2 LEU 19 HD21 LEU 19 2.496 5.638 5.528 147 2HD2 LEU 19 HD22 LEU 19 4.126 4.957 5.877 148 3HD2 LEU 19 HD23 LEU 19 2.747 3.851 5.556 149 H CYS 20 HN CYS 20 -0.722 2.016 3.135 150 HA CYS 20 HA CYS 20 -1.511 2.805 0.428 151 1HB CYS 20 HB2 CYS 20 -2.624 0.777 2.445 152 2HB CYS 20 HB1 CYS 20 -3.451 1.174 0.913 153 H CYS 21 HN CYS 21 -3.273 4.173 0.045 154 HA CYS 21 HA CYS 21 -3.783 5.985 2.072 155 1HB CYS 21 HB2 CYS 21 -5.666 5.567 -0.312 156 2HB CYS 21 HB1 CYS 21 -5.452 7.053 0.658 157 H SER 22 HN SER 22 -5.731 3.157 1.021 158 HA SER 22 HA SER 22 -7.801 3.731 2.938 159 1HB SER 22 HB2 SER 22 -8.703 1.475 1.943 160 2HB SER 22 HB1 SER 22 -8.648 2.924 0.886 161 HG SER 22 HG SER 22 -7.117 0.592 0.844 162 H GLY 23 HN GLY 23 -4.717 2.606 3.435 163 1HA GLY 23 HA2 GLY 23 -4.176 1.953 5.513 164 2HA GLY 23 HA1 GLY 23 -5.732 1.079 5.721 165 H ALA 24 HN ALA 24 -5.945 -0.833 3.937 166 HA ALA 24 HA ALA 24 -3.790 -2.476 4.900 167 1HB ALA 24 HB1 ALA 24 -6.128 -3.325 3.105 168 2HB ALA 24 HB2 ALA 24 -6.144 -3.361 4.908 169 3HB ALA 24 HB3 ALA 24 -5.008 -4.413 3.993 170 H CYS 25 HN CYS 25 -2.319 -3.781 3.667 171 HA CYS 25 HA CYS 25 -2.017 -3.108 0.855 172 1HB CYS 25 HB2 CYS 25 -0.222 -1.847 2.168 173 2HB CYS 25 HB1 CYS 25 0.141 -3.336 3.069 174 H VAL 26 HN VAL 26 -1.987 -5.063 -0.227 175 HA VAL 26 HA VAL 26 -0.780 -7.331 1.054 176 HB VAL 26 HB VAL 26 -3.177 -7.760 1.381 177 1HG1 VAL 26 HG11 VAL 26 -4.770 -7.998 -0.501 178 2HG1 VAL 26 HG12 VAL 26 -3.556 -7.381 -1.668 179 3HG1 VAL 26 HG13 VAL 26 -4.161 -6.312 -0.353 180 1HG2 VAL 26 HG21 VAL 26 -1.692 -9.660 1.001 181 2HG2 VAL 26 HG22 VAL 26 -1.946 -9.602 -0.774 182 3HG2 VAL 26 HG23 VAL 26 -3.324 -9.978 0.313 183 H GLY 27 HN GLY 27 -1.606 -8.357 -1.995 184 1HA GLY 27 HA2 GLY 27 0.772 -7.261 -3.085 185 2HA GLY 27 HA1 GLY 27 -0.485 -8.250 -3.922 186 H VAL 28 HN VAL 28 -2.082 -5.674 -2.562 187 HA VAL 28 HA VAL 28 -1.542 -3.688 -4.431 188 HB VAL 28 HB VAL 28 -4.061 -3.400 -4.936 189 1HG1 VAL 28 HG11 VAL 28 -2.577 -5.726 -6.324 190 2HG1 VAL 28 HG12 VAL 28 -2.413 -3.970 -6.700 191 3HG1 VAL 28 HG13 VAL 28 -3.979 -4.806 -6.992 192 1HG2 VAL 28 HG21 VAL 28 -4.121 -6.435 -4.270 193 2HG2 VAL 28 HG22 VAL 28 -5.461 -5.464 -4.971 194 3HG2 VAL 28 HG23 VAL 28 -4.903 -5.127 -3.299 195 H CYS 29 HN CYS 29 -2.736 -1.809 -3.507 196 HA CYS 29 HA CYS 29 -3.125 -2.025 -0.643 197 1HB CYS 29 HB2 CYS 29 -3.708 0.174 -2.702 198 2HB CYS 29 HB1 CYS 29 -4.062 0.376 -0.960 199 H ALA 30 HN ALA 30 -5.191 -2.018 0.436 200 HA ALA 30 HA ALA 30 -7.561 -2.008 -1.228 201 1HB ALA 30 HB1 ALA 30 -6.793 -4.431 -1.427 202 2HB ALA 30 HB2 ALA 30 -8.336 -4.293 -0.532 203 3HB ALA 30 HB3 ALA 30 -6.784 -4.553 0.364 204 H ASP 31 HN ASP 31 -8.780 -3.578 1.260 205 HA ASP 31 HA ASP 31 -8.150 -1.864 3.397 206 1HB ASP 31 HB2 ASP 31 -10.628 -1.491 3.954 207 2HB ASP 31 HB1 ASP 31 -10.010 -0.464 2.625 208 H LEU 32 HN LEU 32 -9.354 -3.198 5.304 209 HA LEU 32 HA LEU 32 -10.165 -5.775 4.632 210 1HB LEU 32 HB2 LEU 32 -7.652 -5.251 6.401 211 2HB LEU 32 HB1 LEU 32 -8.603 -6.772 6.458 212 HG LEU 32 HG LEU 32 -7.103 -5.760 3.972 213 1HD1 LEU 32 HD11 LEU 32 -6.195 -7.895 6.008 214 2HD1 LEU 32 HD12 LEU 32 -5.475 -6.258 5.787 215 3HD1 LEU 32 HD13 LEU 32 -5.372 -7.469 4.462 216 1HD2 LEU 32 HD21 LEU 32 -7.389 -8.090 3.123 217 2HD2 LEU 32 HD22 LEU 32 -8.968 -7.280 3.386 218 3HD2 LEU 32 HD23 LEU 32 -8.381 -8.508 4.572 219 1HN NH2 33 H1 NH2 33 -11.478 -5.009 7.998 220 2HN NH2 33 H2 NH2 33 -11.055 -6.364 7.004 Start of MODEL 3 1 1H ASP 1 HT1 ASP 1 6.437 10.039 1.682 2 2H ASP 1 HT2 ASP 1 5.314 9.118 0.969 3 3H ASP 1 HT3 ASP 1 4.854 10.254 2.046 4 HA ASP 1 HA ASP 1 5.768 11.977 0.560 5 1HB ASP 1 HB2 ASP 1 5.579 9.524 -1.355 6 2HB ASP 1 HB1 ASP 1 5.509 11.227 -1.950 7 H ASP 2 HN ASP 2 3.591 10.381 -1.640 8 HA ASP 2 HA ASP 2 1.320 11.395 -0.125 9 1HB ASP 2 HB2 ASP 2 -0.049 10.981 -2.127 10 2HB ASP 2 HB1 ASP 2 1.334 12.054 -2.488 11 H CYS 3 HN CYS 3 -0.248 9.027 -1.555 12 HA CYS 3 HA CYS 3 0.570 7.049 0.470 13 1HB CYS 3 HB2 CYS 3 -1.707 6.272 0.650 14 2HB CYS 3 HB1 CYS 3 -1.631 8.001 1.070 15 H ILE 4 HN ILE 4 -0.244 4.821 -0.306 16 HA ILE 4 HA ILE 4 0.487 4.558 -3.131 17 HB ILE 4 HB ILE 4 -0.046 2.293 -1.169 18 1HG1 ILE 4 HG12 ILE 4 2.744 3.412 -1.805 19 2HG1 ILE 4 HG11 ILE 4 1.838 3.873 -0.336 20 1HG2 ILE 4 HG21 ILE 4 -0.114 1.685 -3.583 21 2HG2 ILE 4 HG22 ILE 4 1.424 1.075 -2.900 22 3HG2 ILE 4 HG23 ILE 4 1.426 2.567 -3.894 23 1HD1 ILE 4 HD11 ILE 4 1.627 1.449 0.322 24 2HD1 ILE 4 HD12 ILE 4 3.317 2.066 0.289 25 3HD1 ILE 4 HD13 ILE 4 2.713 1.015 -1.046 26 H LYS 5 HN LYS 5 -1.111 3.659 -4.532 27 HA LYS 5 HA LYS 5 -3.530 5.009 -3.990 28 1HB LYS 5 HB2 LYS 5 -2.389 5.028 -6.227 29 2HB LYS 5 HB1 LYS 5 -2.662 3.254 -6.368 30 1HG LYS 5 HG2 LYS 5 -5.132 3.651 -6.364 31 2HG LYS 5 HG1 LYS 5 -4.853 5.425 -6.299 32 1HD LYS 5 HD2 LYS 5 -3.700 5.339 -8.495 33 2HD LYS 5 HD1 LYS 5 -3.818 3.547 -8.532 34 1HE LYS 5 HE2 LYS 5 -6.232 5.487 -8.541 35 2HE LYS 5 HE1 LYS 5 -5.563 4.619 -9.983 36 1HZ LYS 5 HZ1 LYS 5 -7.445 3.516 -9.003 37 2HZ LYS 5 HZ2 LYS 5 -6.672 3.322 -7.584 38 3HZ LYS 5 HZ3 LYS 5 -6.124 2.569 -8.917 39 HA HYP 6 HA HYP 6 -5.671 1.250 -2.756 40 1HB HYP 6 HB1 HYP 6 -7.993 1.746 -2.314 41 2HB HYP 6 HB2 HYP 6 -8.116 2.763 -3.801 42 1HD HYP 6 HD1 HYP 6 -6.332 4.850 -3.953 43 2HD HYP 6 HD2 HYP 6 -5.192 4.904 -2.541 44 HOD HYP 6 HOD HYP 6 -6.790 2.554 -0.683 45 HG HYP 6 HG HYP 6 -7.850 4.472 -2.042 46 H TYR 7 HN TYR 7 -5.925 -0.655 -3.974 47 HA TYR 7 HA TYR 7 -6.024 -1.970 -5.628 48 1HB TYR 7 HB2 TYR 7 -7.318 0.131 -7.445 49 2HB TYR 7 HB1 TYR 7 -7.220 -1.644 -7.742 50 HD1 TYR 7 HD1 TYR 7 -8.134 -3.136 -5.665 51 HD2 TYR 7 HD2 TYR 7 -9.307 0.912 -6.533 52 HE1 TYR 7 HE1 TYR 7 -10.226 -3.474 -4.405 53 HE2 TYR 7 HE2 TYR 7 -11.406 0.577 -5.297 54 HH TYR 7 HH TYR 7 -12.736 -0.942 -4.189 55 H GLY 8 HN GLY 8 -3.884 0.365 -5.311 56 1HA GLY 8 HA2 GLY 8 -2.514 -0.097 -7.858 57 2HA GLY 8 HA1 GLY 8 -2.084 1.021 -6.486 58 H PHE 9 HN PHE 9 -0.076 -0.712 -7.443 59 HA PHE 9 HA PHE 9 -0.138 -3.103 -5.825 60 1HB PHE 9 HB2 PHE 9 0.802 -3.168 -8.182 61 2HB PHE 9 HB1 PHE 9 2.054 -1.967 -7.690 62 HD1 PHE 9 HD1 PHE 9 0.666 -5.332 -6.570 63 HD2 PHE 9 HD2 PHE 9 4.133 -2.838 -7.088 64 HE1 PHE 9 HE1 PHE 9 2.114 -7.191 -5.842 65 HE2 PHE 9 HE2 PHE 9 5.581 -4.708 -6.362 66 HZ PHE 9 HZ PHE 9 4.576 -6.889 -5.744 67 H CYS 10 HN CYS 10 1.426 -3.499 -4.066 68 HA CYS 10 HA CYS 10 2.931 -1.213 -3.152 69 1HB CYS 10 HB2 CYS 10 1.913 -1.459 -0.805 70 2HB CYS 10 HB1 CYS 10 0.805 -0.764 -2.017 71 H SER 11 HN SER 11 3.972 -2.214 -0.965 72 HA SER 11 HA SER 11 4.308 -4.574 -0.085 73 1HB SER 11 HB2 SER 11 6.560 -5.371 -1.311 74 2HB SER 11 HB1 SER 11 4.970 -5.921 -1.941 75 HG SER 11 HG SER 11 4.971 -4.401 -3.448 76 H LEU 12 HN LEU 12 6.935 -2.998 -1.844 77 HA LEU 12 HA LEU 12 7.474 -1.256 0.483 78 1HB LEU 12 HB2 LEU 12 9.085 -1.646 -2.140 79 2HB LEU 12 HB1 LEU 12 9.401 -0.375 -0.917 80 HG LEU 12 HG LEU 12 9.680 -2.315 0.803 81 1HD1 LEU 12 HD11 LEU 12 8.891 -4.233 -0.599 82 2HD1 LEU 12 HD12 LEU 12 10.610 -4.444 -0.122 83 3HD1 LEU 12 HD13 LEU 12 10.201 -3.913 -1.794 84 1HD2 LEU 12 HD21 LEU 12 11.791 -1.812 -1.391 85 2HD2 LEU 12 HD22 LEU 12 12.108 -2.457 0.264 86 3HD2 LEU 12 HD23 LEU 12 11.482 -0.781 0.056 87 HA PRO 13 HA PRO 13 4.943 1.452 -1.686 88 1HB PRO 13 HB2 PRO 13 6.751 3.795 -0.884 89 2HB PRO 13 HB1 PRO 13 4.986 3.590 -0.556 90 1HG PRO 13 HG1 PRO 13 6.810 3.192 1.448 91 2HG PRO 13 HG2 PRO 13 5.440 2.023 1.249 92 1HD PRO 13 HD1 PRO 13 8.318 1.773 0.179 93 2HD PRO 13 HD2 PRO 13 7.352 0.587 1.171 94 H ILE 14 HN ILE 14 4.711 2.524 -3.745 95 HA ILE 14 HA ILE 14 6.710 2.015 -5.563 96 HB ILE 14 HB ILE 14 4.386 4.000 -5.814 97 1HG1 ILE 14 HG12 ILE 14 3.480 1.826 -5.109 98 2HG1 ILE 14 HG11 ILE 14 3.110 2.141 -6.824 99 1HG2 ILE 14 HG21 ILE 14 4.552 3.452 -8.284 100 2HG2 ILE 14 HG22 ILE 14 6.074 2.546 -7.957 101 3HG2 ILE 14 HG23 ILE 14 5.997 4.320 -7.661 102 1HD1 ILE 14 HD11 ILE 14 3.708 -0.210 -6.549 103 2HD1 ILE 14 HD12 ILE 14 5.259 0.200 -5.741 104 3HD1 ILE 14 HD13 ILE 14 5.022 0.582 -7.489 105 H LEU 15 HN LEU 15 5.843 5.014 -3.822 106 HA LEU 15 HA LEU 15 8.271 6.270 -4.934 107 1HB LEU 15 HB2 LEU 15 5.784 7.574 -3.698 108 2HB LEU 15 HB1 LEU 15 7.256 8.447 -4.243 109 HG LEU 15 HG LEU 15 5.421 6.768 -6.066 110 1HD1 LEU 15 HD11 LEU 15 4.586 8.950 -6.953 111 2HD1 LEU 15 HD12 LEU 15 5.532 9.825 -5.691 112 3HD1 LEU 15 HD13 LEU 15 4.193 8.712 -5.211 113 1HD2 LEU 15 HD21 LEU 15 6.606 7.921 -7.961 114 2HD2 LEU 15 HD22 LEU 15 7.716 6.889 -6.998 115 3HD2 LEU 15 HD23 LEU 15 7.739 8.682 -6.783 116 H LYS 16 HN LYS 16 8.839 4.392 -3.144 117 HA LYS 16 HA LYS 16 10.362 4.239 -1.635 118 1HB LYS 16 HB2 LYS 16 10.267 7.276 -1.277 119 2HB LYS 16 HB1 LYS 16 11.538 6.175 -0.630 120 1HG LYS 16 HG2 LYS 16 12.211 5.550 -2.929 121 2HG LYS 16 HG1 LYS 16 10.910 6.578 -3.624 122 1HD LYS 16 HD2 LYS 16 11.947 8.617 -2.632 123 2HD LYS 16 HD1 LYS 16 13.193 7.605 -1.822 124 1HE LYS 16 HE2 LYS 16 14.150 8.679 -3.839 125 2HE LYS 16 HE1 LYS 16 14.088 6.882 -4.058 126 1HZ LYS 16 HZ1 LYS 16 12.179 8.828 -5.162 127 2HZ LYS 16 HZ2 LYS 16 12.090 7.214 -5.341 128 3HZ LYS 16 HZ3 LYS 16 13.338 8.037 -5.981 129 H ASN 17 HN ASN 17 8.017 6.655 -0.369 130 HA ASN 17 HA ASN 17 7.809 5.063 2.075 131 1HB ASN 17 HB2 ASN 17 7.848 7.091 3.553 132 2HB ASN 17 HB1 ASN 17 9.454 6.677 2.879 133 1HD2 ASN 17 HD21 ASN 17 10.246 8.017 0.974 134 2HD2 ASN 17 HD22 ASN 17 9.657 9.635 0.772 135 H GLY 18 HN GLY 18 5.534 4.638 2.251 136 1HA GLY 18 HA2 GLY 18 3.773 6.744 2.178 137 2HA GLY 18 HA1 GLY 18 3.767 5.788 0.608 138 H LEU 19 HN LEU 19 1.475 5.184 1.968 139 HA LEU 19 HA LEU 19 1.915 2.558 2.812 140 1HB LEU 19 HB2 LEU 19 1.991 3.865 5.072 141 2HB LEU 19 HB1 LEU 19 0.431 4.611 4.617 142 HG LEU 19 HG LEU 19 -0.668 2.354 4.678 143 1HD1 LEU 19 HD11 LEU 19 2.059 1.315 5.695 144 2HD1 LEU 19 HD12 LEU 19 1.273 0.869 4.135 145 3HD1 LEU 19 HD13 LEU 19 0.503 0.400 5.690 146 1HD2 LEU 19 HD21 LEU 19 -0.703 3.826 6.660 147 2HD2 LEU 19 HD22 LEU 19 0.832 3.086 7.259 148 3HD2 LEU 19 HD23 LEU 19 -0.668 2.088 7.124 149 H CYS 20 HN CYS 20 -0.596 1.819 2.673 150 HA CYS 20 HA CYS 20 -1.601 2.989 0.280 151 1HB CYS 20 HB2 CYS 20 -2.829 0.961 2.230 152 2HB CYS 20 HB1 CYS 20 -3.534 1.381 0.646 153 H CYS 21 HN CYS 21 -3.477 4.361 0.066 154 HA CYS 21 HA CYS 21 -4.006 6.027 2.258 155 1HB CYS 21 HB2 CYS 21 -5.277 5.684 -0.471 156 2HB CYS 21 HB1 CYS 21 -6.288 6.455 0.770 157 H SER 22 HN SER 22 -5.920 3.248 0.963 158 HA SER 22 HA SER 22 -7.746 3.424 3.166 159 1HB SER 22 HB2 SER 22 -8.697 1.311 2.036 160 2HB SER 22 HB1 SER 22 -8.679 2.817 1.052 161 HG SER 22 HG SER 22 -7.103 0.503 0.868 162 H GLY 23 HN GLY 23 -4.630 2.697 3.488 163 1HA GLY 23 HA2 GLY 23 -3.900 1.945 5.423 164 2HA GLY 23 HA1 GLY 23 -5.390 0.971 5.684 165 H ALA 24 HN ALA 24 -5.564 -0.912 3.878 166 HA ALA 24 HA ALA 24 -3.214 -2.394 4.760 167 1HB ALA 24 HB1 ALA 24 -5.481 -3.364 5.215 168 2HB ALA 24 HB2 ALA 24 -4.465 -4.448 4.201 169 3HB ALA 24 HB3 ALA 24 -5.768 -3.467 3.435 170 H CYS 25 HN CYS 25 -1.873 -3.656 3.472 171 HA CYS 25 HA CYS 25 -2.032 -3.322 0.571 172 1HB CYS 25 HB2 CYS 25 0.113 -2.356 1.580 173 2HB CYS 25 HB1 CYS 25 0.381 -3.907 2.433 174 H VAL 26 HN VAL 26 -2.427 -5.364 -0.402 175 HA VAL 26 HA VAL 26 -1.804 -7.756 1.134 176 HB VAL 26 HB VAL 26 -4.117 -7.196 1.723 177 1HG1 VAL 26 HG11 VAL 26 -4.756 -5.777 -0.211 178 2HG1 VAL 26 HG12 VAL 26 -5.929 -7.117 0.017 179 3HG1 VAL 26 HG13 VAL 26 -4.715 -7.203 -1.310 180 1HG2 VAL 26 HG21 VAL 26 -3.983 -9.601 -0.201 181 2HG2 VAL 26 HG22 VAL 26 -5.167 -9.339 1.126 182 3HG2 VAL 26 HG23 VAL 26 -3.427 -9.580 1.513 183 H GLY 27 HN GLY 27 -0.335 -6.376 -0.742 184 1HA GLY 27 HA2 GLY 27 0.887 -7.109 -2.550 185 2HA GLY 27 HA1 GLY 27 -0.542 -8.041 -3.163 186 H VAL 28 HN VAL 28 -2.587 -6.488 -3.224 187 HA VAL 28 HA VAL 28 -1.814 -3.955 -4.511 188 HB VAL 28 HB VAL 28 -4.231 -3.747 -5.119 189 1HG1 VAL 28 HG11 VAL 28 -2.743 -6.245 -6.180 190 2HG1 VAL 28 HG12 VAL 28 -2.494 -4.540 -6.719 191 3HG1 VAL 28 HG13 VAL 28 -4.072 -5.360 -7.019 192 1HG2 VAL 28 HG21 VAL 28 -5.186 -5.297 -3.356 193 2HG2 VAL 28 HG22 VAL 28 -4.417 -6.704 -4.185 194 3HG2 VAL 28 HG23 VAL 28 -5.691 -5.753 -5.017 195 H CYS 29 HN CYS 29 -2.959 -2.034 -3.641 196 HA CYS 29 HA CYS 29 -3.271 -2.189 -0.763 197 1HB CYS 29 HB2 CYS 29 -3.894 -0.005 -2.792 198 2HB CYS 29 HB1 CYS 29 -4.202 0.207 -1.041 199 H ALA 30 HN ALA 30 -5.191 -2.287 0.396 200 HA ALA 30 HA ALA 30 -7.704 -2.104 -1.043 201 1HB ALA 30 HB1 ALA 30 -6.935 -4.678 0.516 202 2HB ALA 30 HB2 ALA 30 -7.077 -4.580 -1.272 203 3HB ALA 30 HB3 ALA 30 -8.535 -4.329 -0.262 204 H ASP 31 HN ASP 31 -8.587 -3.676 1.654 205 HA ASP 31 HA ASP 31 -7.744 -1.886 3.640 206 1HB ASP 31 HB2 ASP 31 -10.094 -1.449 4.474 207 2HB ASP 31 HB1 ASP 31 -9.762 -0.546 2.962 208 H LEU 32 HN LEU 32 -8.970 -3.151 5.687 209 HA LEU 32 HA LEU 32 -9.655 -5.807 5.002 210 1HB LEU 32 HB2 LEU 32 -7.540 -5.021 7.146 211 2HB LEU 32 HB1 LEU 32 -8.347 -6.621 7.077 212 HG LEU 32 HG LEU 32 -6.561 -5.507 4.838 213 1HD1 LEU 32 HD11 LEU 32 -5.224 -5.658 6.921 214 2HD1 LEU 32 HD12 LEU 32 -4.716 -6.927 5.749 215 3HD1 LEU 32 HD13 LEU 32 -5.747 -7.365 7.159 216 1HD2 LEU 32 HD21 LEU 32 -7.491 -8.391 5.383 217 2HD2 LEU 32 HD22 LEU 32 -6.370 -7.857 4.077 218 3HD2 LEU 32 HD23 LEU 32 -8.079 -7.302 4.067 219 1HN NH2 33 H1 NH2 33 -11.120 -6.242 6.983 220 2HN NH2 33 H2 NH2 33 -11.666 -4.876 7.904 Start of MODEL 4 1 1H ASP 1 HT1 ASP 1 2.179 7.624 -5.213 2 2H ASP 1 HT2 ASP 1 1.456 7.785 -3.745 3 3H ASP 1 HT3 ASP 1 2.909 8.463 -4.005 4 HA ASP 1 HA ASP 1 1.981 9.950 -5.629 5 1HB ASP 1 HB2 ASP 1 -0.091 8.423 -6.078 6 2HB ASP 1 HB1 ASP 1 -0.703 8.860 -4.451 7 H ASP 2 HN ASP 2 -0.467 10.774 -3.509 8 HA ASP 2 HA ASP 2 1.194 11.995 -1.547 9 1HB ASP 2 HB2 ASP 2 -1.107 12.863 -2.280 10 2HB ASP 2 HB1 ASP 2 -1.851 11.413 -1.529 11 H CYS 3 HN CYS 3 -0.931 9.110 -1.811 12 HA CYS 3 HA CYS 3 0.520 7.879 0.423 13 1HB CYS 3 HB2 CYS 3 -1.569 6.474 0.765 14 2HB CYS 3 HB1 CYS 3 -1.789 8.196 1.161 15 H ILE 4 HN ILE 4 -0.107 5.244 -0.196 16 HA ILE 4 HA ILE 4 0.631 4.963 -3.022 17 HB ILE 4 HB ILE 4 0.302 2.885 -0.840 18 1HG1 ILE 4 HG12 ILE 4 2.840 4.117 -2.045 19 2HG1 ILE 4 HG11 ILE 4 2.202 4.329 -0.378 20 1HG2 ILE 4 HG21 ILE 4 1.329 1.291 -2.512 21 2HG2 ILE 4 HG22 ILE 4 1.338 2.592 -3.754 22 3HG2 ILE 4 HG23 ILE 4 -0.214 1.931 -3.115 23 1HD1 ILE 4 HD11 ILE 4 2.435 1.791 -0.035 24 2HD1 ILE 4 HD12 ILE 4 3.978 2.698 -0.242 25 3HD1 ILE 4 HD13 ILE 4 3.318 1.733 -1.609 26 H LYS 5 HN LYS 5 -0.925 3.621 -4.353 27 HA LYS 5 HA LYS 5 -3.348 5.061 -4.087 28 1HB LYS 5 HB2 LYS 5 -2.100 4.674 -6.282 29 2HB LYS 5 HB1 LYS 5 -2.566 2.944 -6.169 30 1HG LYS 5 HG2 LYS 5 -5.026 3.749 -6.162 31 2HG LYS 5 HG1 LYS 5 -4.402 5.384 -6.563 32 1HD LYS 5 HD2 LYS 5 -3.338 4.455 -8.633 33 2HD LYS 5 HD1 LYS 5 -3.913 2.805 -8.205 34 1HE LYS 5 HE2 LYS 5 -5.767 5.224 -8.752 35 2HE LYS 5 HE1 LYS 5 -5.355 3.932 -9.952 36 1HZ LYS 5 HZ1 LYS 5 -7.439 3.592 -8.779 37 2HZ LYS 5 HZ2 LYS 5 -6.652 3.420 -7.364 38 3HZ LYS 5 HZ3 LYS 5 -6.402 2.358 -8.567 39 HA HYP 6 HA HYP 6 -5.510 1.430 -2.528 40 1HB HYP 6 HB1 HYP 6 -7.808 2.051 -2.061 41 2HB HYP 6 HB2 HYP 6 -7.916 3.025 -3.575 42 1HD HYP 6 HD1 HYP 6 -6.087 4.994 -3.864 43 2HD HYP 6 HD2 HYP 6 -4.895 5.098 -2.493 44 HOD HYP 6 HOD HYP 6 -6.345 2.730 -0.631 45 HG HYP 6 HG HYP 6 -7.513 4.760 -1.835 46 H TYR 7 HN TYR 7 -5.802 -0.507 -3.703 47 HA TYR 7 HA TYR 7 -5.842 -1.840 -5.298 48 1HB TYR 7 HB2 TYR 7 -7.638 0.086 -6.863 49 2HB TYR 7 HB1 TYR 7 -7.328 -1.650 -7.274 50 HD1 TYR 7 HD1 TYR 7 -9.137 0.639 -5.035 51 HD2 TYR 7 HD2 TYR 7 -7.917 -3.442 -5.598 52 HE1 TYR 7 HE1 TYR 7 -10.694 -0.058 -3.264 53 HE2 TYR 7 HE2 TYR 7 -9.481 -4.156 -3.829 54 HH TYR 7 HH TYR 7 -11.475 -1.815 -1.999 55 H GLY 8 HN GLY 8 -3.757 0.224 -5.041 56 1HA GLY 8 HA2 GLY 8 -2.525 -0.140 -7.687 57 2HA GLY 8 HA1 GLY 8 -1.959 0.890 -6.291 58 H PHE 9 HN PHE 9 -0.228 -1.076 -7.474 59 HA PHE 9 HA PHE 9 -0.341 -3.391 -5.768 60 1HB PHE 9 HB2 PHE 9 0.556 -3.364 -8.249 61 2HB PHE 9 HB1 PHE 9 2.039 -2.607 -7.565 62 HD1 PHE 9 HD1 PHE 9 3.495 -3.948 -6.048 63 HD2 PHE 9 HD2 PHE 9 -0.084 -5.645 -7.727 64 HE1 PHE 9 HE1 PHE 9 4.227 -6.195 -5.343 65 HE2 PHE 9 HE2 PHE 9 0.661 -7.896 -7.031 66 HZ PHE 9 HZ PHE 9 2.813 -8.177 -5.829 67 H CYS 10 HN CYS 10 1.282 -3.770 -4.035 68 HA CYS 10 HA CYS 10 2.673 -1.343 -3.191 69 1HB CYS 10 HB2 CYS 10 1.642 -1.609 -0.865 70 2HB CYS 10 HB1 CYS 10 0.504 -1.057 -2.120 71 H SER 11 HN SER 11 3.729 -2.103 -0.885 72 HA SER 11 HA SER 11 4.748 -4.516 -0.472 73 1HB SER 11 HB2 SER 11 7.100 -4.069 -1.589 74 2HB SER 11 HB1 SER 11 5.810 -4.606 -2.719 75 HG SER 11 HG SER 11 6.724 -2.896 -3.658 76 H LEU 12 HN LEU 12 7.372 -3.034 0.228 77 HA LEU 12 HA LEU 12 6.241 -0.618 1.464 78 1HB LEU 12 HB2 LEU 12 7.042 -2.470 3.105 79 2HB LEU 12 HB1 LEU 12 8.686 -2.149 2.499 80 HG LEU 12 HG LEU 12 8.324 -1.032 4.600 81 1HD1 LEU 12 HD11 LEU 12 8.940 1.277 4.152 82 2HD1 LEU 12 HD12 LEU 12 8.226 1.218 2.503 83 3HD1 LEU 12 HD13 LEU 12 9.691 0.236 2.887 84 1HD2 LEU 12 HD21 LEU 12 6.609 0.691 5.051 85 2HD2 LEU 12 HD22 LEU 12 5.841 -0.876 4.608 86 3HD2 LEU 12 HD23 LEU 12 5.901 0.474 3.412 87 HA PRO 13 HA PRO 13 9.394 0.221 -1.784 88 1HB PRO 13 HB2 PRO 13 8.399 2.686 -2.678 89 2HB PRO 13 HB1 PRO 13 7.722 1.101 -3.236 90 1HG PRO 13 HG1 PRO 13 6.674 2.922 -1.006 91 2HG PRO 13 HG2 PRO 13 5.738 2.148 -2.352 92 1HD PRO 13 HD1 PRO 13 5.878 1.051 0.194 93 2HD PRO 13 HD2 PRO 13 5.845 -0.011 -1.289 94 H ILE 14 HN ILE 14 11.258 1.630 -1.550 95 HA ILE 14 HA ILE 14 11.345 2.738 1.115 96 HB ILE 14 HB ILE 14 13.784 2.848 0.757 97 1HG1 ILE 14 HG12 ILE 14 13.171 1.474 -1.957 98 2HG1 ILE 14 HG11 ILE 14 13.866 3.115 -1.727 99 1HG2 ILE 14 HG21 ILE 14 12.531 0.929 1.795 100 2HG2 ILE 14 HG22 ILE 14 14.035 0.390 0.978 101 3HG2 ILE 14 HG23 ILE 14 12.436 0.116 0.190 102 1HD1 ILE 14 HD11 ILE 14 15.198 0.449 -0.934 103 2HD1 ILE 14 HD12 ILE 14 15.862 2.087 -0.570 104 3HD1 ILE 14 HD13 ILE 14 15.660 1.550 -2.277 105 H LEU 15 HN LEU 15 11.502 3.914 -2.229 106 HA LEU 15 HA LEU 15 13.050 6.164 -1.625 107 1HB LEU 15 HB2 LEU 15 11.216 5.693 -4.059 108 2HB LEU 15 HB1 LEU 15 12.527 6.915 -3.964 109 HG LEU 15 HG LEU 15 12.948 3.865 -3.803 110 1HD1 LEU 15 HD11 LEU 15 13.819 4.024 -6.118 111 2HD1 LEU 15 HD12 LEU 15 13.400 5.777 -6.177 112 3HD1 LEU 15 HD13 LEU 15 12.097 4.539 -6.037 113 1HD2 LEU 15 HD21 LEU 15 14.768 5.141 -2.637 114 2HD2 LEU 15 HD22 LEU 15 15.012 6.144 -4.115 115 3HD2 LEU 15 HD23 LEU 15 15.355 4.376 -4.150 116 H LYS 16 HN LYS 16 9.515 5.672 -1.844 117 HA LYS 16 HA LYS 16 9.239 8.066 -0.362 118 1HB LYS 16 HB2 LYS 16 7.415 7.339 -2.772 119 2HB LYS 16 HB1 LYS 16 7.013 8.541 -1.485 120 1HG LYS 16 HG2 LYS 16 8.992 9.922 -2.171 121 2HG LYS 16 HG1 LYS 16 9.377 8.734 -3.459 122 1HD LYS 16 HD2 LYS 16 7.184 9.206 -4.566 123 2HD LYS 16 HD1 LYS 16 6.786 10.395 -3.269 124 1HE LYS 16 HE2 LYS 16 8.800 11.775 -3.927 125 2HE LYS 16 HE1 LYS 16 9.170 10.586 -5.243 126 1HZ LYS 16 HZ1 LYS 16 6.733 12.217 -5.015 127 2HZ LYS 16 HZ2 LYS 16 7.031 11.123 -6.184 128 3HZ LYS 16 HZ3 LYS 16 7.964 12.449 -6.053 129 H ASN 17 HN ASN 17 7.504 7.311 1.208 130 HA ASN 17 HA ASN 17 6.818 4.575 1.038 131 1HB ASN 17 HB2 ASN 17 7.870 4.076 3.307 132 2HB ASN 17 HB1 ASN 17 9.073 4.204 1.992 133 1HD2 ASN 17 HD21 ASN 17 10.661 5.901 2.008 134 2HD2 ASN 17 HD22 ASN 17 10.780 7.026 3.324 135 H GLY 18 HN GLY 18 5.291 4.306 2.976 136 1HA GLY 18 HA2 GLY 18 4.214 5.975 4.607 137 2HA GLY 18 HA1 GLY 18 3.615 6.527 2.948 138 H LEU 19 HN LEU 19 1.466 5.240 3.644 139 HA LEU 19 HA LEU 19 1.847 2.529 2.662 140 1HB LEU 19 HB2 LEU 19 0.059 3.298 5.068 141 2HB LEU 19 HB1 LEU 19 -0.156 1.798 4.117 142 HG LEU 19 HG LEU 19 0.884 1.156 6.066 143 1HD1 LEU 19 HD11 LEU 19 3.107 1.153 3.924 144 2HD1 LEU 19 HD12 LEU 19 1.679 0.049 3.961 145 3HD1 LEU 19 HD13 LEU 19 2.900 -0.001 5.283 146 1HD2 LEU 19 HD21 LEU 19 3.230 3.106 5.676 147 2HD2 LEU 19 HD22 LEU 19 2.974 1.949 7.017 148 3HD2 LEU 19 HD23 LEU 19 1.854 3.347 6.817 149 H CYS 20 HN CYS 20 -0.974 2.095 2.556 150 HA CYS 20 HA CYS 20 -1.522 3.910 0.393 151 1HB CYS 20 HB2 CYS 20 -3.066 1.454 1.418 152 2HB CYS 20 HB1 CYS 20 -3.436 2.358 -0.091 153 H CYS 21 HN CYS 21 -3.647 4.961 0.215 154 HA CYS 21 HA CYS 21 -4.260 6.344 2.598 155 1HB CYS 21 HB2 CYS 21 -5.798 6.102 -0.049 156 2HB CYS 21 HB1 CYS 21 -6.431 7.037 1.334 157 H SER 22 HN SER 22 -5.813 3.523 1.015 158 HA SER 22 HA SER 22 -7.808 3.327 3.077 159 1HB SER 22 HB2 SER 22 -8.422 1.217 1.771 160 2HB SER 22 HB1 SER 22 -8.446 2.736 0.805 161 HG SER 22 HG SER 22 -6.745 0.537 0.733 162 H GLY 23 HN GLY 23 -4.536 2.746 3.142 163 1HA GLY 23 HA2 GLY 23 -3.413 1.846 4.786 164 2HA GLY 23 HA1 GLY 23 -4.872 0.957 5.352 165 H ALA 24 HN ALA 24 -5.552 -0.895 3.840 166 HA ALA 24 HA ALA 24 -3.352 -2.503 4.598 167 1HB ALA 24 HB1 ALA 24 -4.883 -4.424 4.421 168 2HB ALA 24 HB2 ALA 24 -6.072 -3.404 3.529 169 3HB ALA 24 HB3 ALA 24 -5.700 -3.056 5.258 170 H CYS 25 HN CYS 25 -1.822 -3.480 3.427 171 HA CYS 25 HA CYS 25 -2.084 -3.626 0.537 172 1HB CYS 25 HB2 CYS 25 0.005 -2.585 1.551 173 2HB CYS 25 HB1 CYS 25 0.310 -4.117 2.428 174 H VAL 26 HN VAL 26 -2.578 -5.636 -0.422 175 HA VAL 26 HA VAL 26 -1.758 -8.029 1.042 176 HB VAL 26 HB VAL 26 -4.127 -7.664 1.561 177 1HG1 VAL 26 HG11 VAL 26 -5.876 -7.687 -0.213 178 2HG1 VAL 26 HG12 VAL 26 -4.609 -7.621 -1.491 179 3HG1 VAL 26 HG13 VAL 26 -4.813 -6.249 -0.339 180 1HG2 VAL 26 HG21 VAL 26 -3.240 -9.978 1.327 181 2HG2 VAL 26 HG22 VAL 26 -3.713 -10.002 -0.412 182 3HG2 VAL 26 HG23 VAL 26 -4.979 -9.868 0.860 183 H GLY 27 HN GLY 27 -0.295 -6.508 -0.759 184 1HA GLY 27 HA2 GLY 27 1.029 -7.198 -2.506 185 2HA GLY 27 HA1 GLY 27 -0.316 -8.221 -3.159 186 H VAL 28 HN VAL 28 -2.446 -6.672 -3.209 187 HA VAL 28 HA VAL 28 -1.719 -4.116 -4.453 188 HB VAL 28 HB VAL 28 -4.086 -4.040 -5.294 189 1HG1 VAL 28 HG11 VAL 28 -2.143 -4.559 -6.764 190 2HG1 VAL 28 HG12 VAL 28 -3.602 -5.479 -7.281 191 3HG1 VAL 28 HG13 VAL 28 -2.284 -6.314 -6.375 192 1HG2 VAL 28 HG21 VAL 28 -4.085 -7.067 -4.590 193 2HG2 VAL 28 HG22 VAL 28 -5.365 -6.171 -5.475 194 3HG2 VAL 28 HG23 VAL 28 -5.055 -5.801 -3.747 195 H CYS 29 HN CYS 29 -3.025 -2.329 -3.593 196 HA CYS 29 HA CYS 29 -3.576 -2.877 -0.774 197 1HB CYS 29 HB2 CYS 29 -3.003 -0.397 -2.354 198 2HB CYS 29 HB1 CYS 29 -4.197 -0.190 -1.035 199 H ALA 30 HN ALA 30 -5.434 -2.561 0.308 200 HA ALA 30 HA ALA 30 -7.833 -1.912 -1.202 201 1HB ALA 30 HB1 ALA 30 -7.488 -4.498 0.489 202 2HB ALA 30 HB2 ALA 30 -7.600 -4.474 -1.302 203 3HB ALA 30 HB3 ALA 30 -9.014 -3.957 -0.326 204 H ASP 31 HN ASP 31 -9.130 -3.083 1.405 205 HA ASP 31 HA ASP 31 -7.879 -1.610 3.477 206 1HB ASP 31 HB2 ASP 31 -10.215 -1.079 4.458 207 2HB ASP 31 HB1 ASP 31 -9.682 0.012 3.140 208 H LEU 32 HN LEU 32 -8.765 -3.061 5.528 209 HA LEU 32 HA LEU 32 -9.832 -5.513 4.771 210 1HB LEU 32 HB2 LEU 32 -7.307 -5.684 4.009 211 2HB LEU 32 HB1 LEU 32 -6.868 -5.325 5.708 212 HG LEU 32 HG LEU 32 -7.980 -7.469 6.416 213 1HD1 LEU 32 HD11 LEU 32 -8.620 -9.163 4.658 214 2HD1 LEU 32 HD12 LEU 32 -8.422 -7.903 3.386 215 3HD1 LEU 32 HD13 LEU 32 -9.708 -7.733 4.638 216 1HD2 LEU 32 HD21 LEU 32 -6.259 -9.001 5.422 217 2HD2 LEU 32 HD22 LEU 32 -5.552 -7.424 5.923 218 3HD2 LEU 32 HD23 LEU 32 -5.868 -7.754 4.178 219 1HN NH2 33 H1 NH2 33 -9.959 -5.365 8.456 220 2HN NH2 33 H2 NH2 33 -9.911 -6.528 7.166 Start of MODEL 5 1 1H ASP 1 HT1 ASP 1 1.039 14.176 3.109 2 2H ASP 1 HT2 ASP 1 2.074 14.846 2.059 3 3H ASP 1 HT3 ASP 1 2.475 14.743 3.647 4 HA ASP 1 HA ASP 1 3.682 13.099 2.471 5 1HB ASP 1 HB2 ASP 1 1.223 11.879 3.932 6 2HB ASP 1 HB1 ASP 1 2.644 10.906 3.406 7 H ASP 2 HN ASP 2 2.299 10.513 1.564 8 HA ASP 2 HA ASP 2 0.446 11.137 -0.367 9 1HB ASP 2 HB2 ASP 2 2.545 11.857 -1.691 10 2HB ASP 2 HB1 ASP 2 3.303 10.279 -1.281 11 H CYS 3 HN CYS 3 0.307 8.485 -1.304 12 HA CYS 3 HA CYS 3 1.323 6.676 0.559 13 1HB CYS 3 HB2 CYS 3 -1.084 5.905 1.251 14 2HB CYS 3 HB1 CYS 3 -0.384 7.284 2.133 15 H ILE 4 HN ILE 4 0.157 4.538 -0.242 16 HA ILE 4 HA ILE 4 0.411 4.756 -3.109 17 HB ILE 4 HB ILE 4 0.166 2.258 -1.378 18 1HG1 ILE 4 HG12 ILE 4 2.717 3.635 -2.435 19 2HG1 ILE 4 HG11 ILE 4 2.143 3.763 -0.744 20 1HG2 ILE 4 HG21 ILE 4 1.269 1.178 -3.410 21 2HG2 ILE 4 HG22 ILE 4 1.150 2.739 -4.288 22 3HG2 ILE 4 HG23 ILE 4 -0.336 1.842 -3.796 23 1HD1 ILE 4 HD11 ILE 4 3.083 1.200 -2.152 24 2HD1 ILE 4 HD12 ILE 4 2.286 1.232 -0.534 25 3HD1 ILE 4 HD13 ILE 4 3.869 2.070 -0.797 26 H LYS 5 HN LYS 5 -1.157 3.840 -4.541 27 HA LYS 5 HA LYS 5 -3.550 5.139 -3.977 28 1HB LYS 5 HB2 LYS 5 -2.309 5.223 -6.159 29 2HB LYS 5 HB1 LYS 5 -2.651 3.473 -6.409 30 1HG LYS 5 HG2 LYS 5 -5.092 3.976 -6.590 31 2HG LYS 5 HG1 LYS 5 -4.767 5.719 -6.265 32 1HD LYS 5 HD2 LYS 5 -3.359 5.835 -8.337 33 2HD LYS 5 HD1 LYS 5 -3.689 4.088 -8.651 34 1HE LYS 5 HE2 LYS 5 -6.159 4.603 -8.848 35 2HE LYS 5 HE1 LYS 5 -5.802 6.359 -8.583 36 1HZ LYS 5 HZ1 LYS 5 -4.468 6.296 -10.557 37 2HZ LYS 5 HZ2 LYS 5 -5.977 5.789 -10.892 38 3HZ LYS 5 HZ3 LYS 5 -4.761 4.713 -10.787 39 HA HYP 6 HA HYP 6 -5.777 1.475 -2.793 40 1HB HYP 6 HB1 HYP 6 -8.087 2.048 -2.393 41 2HB HYP 6 HB2 HYP 6 -8.227 2.870 -3.992 42 1HD HYP 6 HD1 HYP 6 -6.402 4.935 -4.382 43 2HD HYP 6 HD2 HYP 6 -5.357 5.215 -2.923 44 HOD HYP 6 HOD HYP 6 -6.849 3.007 -0.939 45 HG HYP 6 HG HYP 6 -8.014 4.798 -2.516 46 H TYR 7 HN TYR 7 -6.002 -0.497 -3.901 47 HA TYR 7 HA TYR 7 -6.059 -1.911 -5.416 48 1HB TYR 7 HB2 TYR 7 -7.979 -0.078 -6.945 49 2HB TYR 7 HB1 TYR 7 -7.612 -1.792 -7.394 50 HD1 TYR 7 HD1 TYR 7 -9.369 0.383 -4.984 51 HD2 TYR 7 HD2 TYR 7 -8.033 -3.627 -5.751 52 HE1 TYR 7 HE1 TYR 7 -10.773 -0.428 -3.133 53 HE2 TYR 7 HE2 TYR 7 -9.438 -4.455 -3.906 54 HH TYR 7 HH TYR 7 -11.312 -2.246 -1.812 55 H GLY 8 HN GLY 8 -4.042 0.335 -5.454 56 1HA GLY 8 HA2 GLY 8 -2.819 -0.400 -8.022 57 2HA GLY 8 HA1 GLY 8 -2.267 0.831 -6.790 58 H PHE 9 HN PHE 9 -0.357 -1.121 -7.498 59 HA PHE 9 HA PHE 9 -0.533 -3.152 -5.402 60 1HB PHE 9 HB2 PHE 9 1.459 -2.792 -7.719 61 2HB PHE 9 HB1 PHE 9 1.764 -3.892 -6.325 62 HD1 PHE 9 HD1 PHE 9 -0.719 -3.217 -9.089 63 HD2 PHE 9 HD2 PHE 9 0.807 -6.017 -6.200 64 HE1 PHE 9 HE1 PHE 9 -2.073 -5.010 -10.107 65 HE2 PHE 9 HE2 PHE 9 -0.527 -7.817 -7.245 66 HZ PHE 9 HZ PHE 9 -1.980 -7.315 -9.195 67 H CYS 10 HN CYS 10 1.414 -3.351 -3.914 68 HA CYS 10 HA CYS 10 2.668 -0.759 -3.447 69 1HB CYS 10 HB2 CYS 10 2.141 -1.244 -0.915 70 2HB CYS 10 HB1 CYS 10 0.842 -0.547 -1.917 71 H SER 11 HN SER 11 4.694 -1.015 -2.179 72 HA SER 11 HA SER 11 5.203 -3.430 -0.991 73 1HB SER 11 HB2 SER 11 7.533 -3.699 -2.012 74 2HB SER 11 HB1 SER 11 6.211 -4.206 -3.124 75 HG SER 11 HG SER 11 7.687 -2.952 -4.226 76 H LEU 12 HN LEU 12 7.392 -2.708 0.267 77 HA LEU 12 HA LEU 12 8.266 -0.138 -0.025 78 1HB LEU 12 HB2 LEU 12 6.553 -0.837 2.430 79 2HB LEU 12 HB1 LEU 12 8.049 0.098 2.689 80 HG LEU 12 HG LEU 12 5.663 0.961 0.965 81 1HD1 LEU 12 HD11 LEU 12 5.325 2.713 2.695 82 2HD1 LEU 12 HD12 LEU 12 6.757 2.113 3.618 83 3HD1 LEU 12 HD13 LEU 12 5.292 1.079 3.448 84 1HD2 LEU 12 HD21 LEU 12 6.793 3.186 0.753 85 2HD2 LEU 12 HD22 LEU 12 7.669 1.892 -0.112 86 3HD2 LEU 12 HD23 LEU 12 8.290 2.489 1.477 87 HA PRO 13 HA PRO 13 11.281 -3.096 1.703 88 1HB PRO 13 HB2 PRO 13 11.940 -0.976 3.842 89 2HB PRO 13 HB1 PRO 13 13.107 -1.938 2.844 90 1HG PRO 13 HG1 PRO 13 12.598 0.678 2.237 91 2HG PRO 13 HG2 PRO 13 12.677 -0.549 0.900 92 1HD PRO 13 HD1 PRO 13 10.176 0.610 2.254 93 2HD PRO 13 HD2 PRO 13 10.494 0.327 0.480 94 H ILE 14 HN ILE 14 10.948 -4.747 3.284 95 HA ILE 14 HA ILE 14 8.303 -4.682 3.886 96 HB ILE 14 HB ILE 14 8.610 -7.056 4.483 97 1HG1 ILE 14 HG12 ILE 14 11.639 -6.452 4.158 98 2HG1 ILE 14 HG11 ILE 14 10.808 -6.816 5.705 99 1HG2 ILE 14 HG21 ILE 14 8.430 -6.150 2.110 100 2HG2 ILE 14 HG22 ILE 14 9.312 -7.707 2.228 101 3HG2 ILE 14 HG23 ILE 14 10.225 -6.183 1.987 102 1HD1 ILE 14 HD11 ILE 14 11.067 -8.736 3.298 103 2HD1 ILE 14 HD12 ILE 14 10.149 -9.078 4.815 104 3HD1 ILE 14 HD13 ILE 14 11.934 -8.833 4.871 105 H LEU 15 HN LEU 15 9.612 -2.880 5.702 106 HA LEU 15 HA LEU 15 9.051 -4.025 8.351 107 1HB LEU 15 HB2 LEU 15 9.984 -1.196 7.520 108 2HB LEU 15 HB1 LEU 15 9.817 -1.775 9.210 109 HG LEU 15 HG LEU 15 11.776 -2.918 7.113 110 1HD1 LEU 15 HD11 LEU 15 12.330 -0.982 9.447 111 2HD1 LEU 15 HD12 LEU 15 12.353 -0.577 7.691 112 3HD1 LEU 15 HD13 LEU 15 13.564 -1.726 8.364 113 1HD2 LEU 15 HD21 LEU 15 12.888 -4.031 9.072 114 2HD2 LEU 15 HD22 LEU 15 11.216 -4.632 8.817 115 3HD2 LEU 15 HD23 LEU 15 11.557 -3.462 10.146 116 H LYS 16 HN LYS 16 7.628 -2.324 5.648 117 HA LYS 16 HA LYS 16 5.199 -2.452 7.086 118 1HB LYS 16 HB2 LYS 16 6.147 0.115 7.000 119 2HB LYS 16 HB1 LYS 16 5.616 0.014 5.298 120 1HG LYS 16 HG2 LYS 16 3.274 -0.552 6.126 121 2HG LYS 16 HG1 LYS 16 3.895 -0.515 7.813 122 1HD LYS 16 HD2 LYS 16 4.577 1.895 7.480 123 2HD LYS 16 HD1 LYS 16 3.808 1.867 5.855 124 1HE LYS 16 HE2 LYS 16 2.333 1.313 8.532 125 2HE LYS 16 HE1 LYS 16 2.353 2.903 7.668 126 1HZ LYS 16 HZ1 LYS 16 0.411 1.569 7.205 127 2HZ LYS 16 HZ2 LYS 16 1.315 0.398 6.528 128 3HZ LYS 16 HZ3 LYS 16 1.259 1.875 5.853 129 H ASN 17 HN ASN 17 3.660 -2.878 5.184 130 HA ASN 17 HA ASN 17 5.222 -4.061 2.986 131 1HB ASN 17 HB2 ASN 17 2.253 -4.373 3.755 132 2HB ASN 17 HB1 ASN 17 2.960 -5.001 2.227 133 1HD2 ASN 17 HD21 ASN 17 5.236 -5.149 4.883 134 2HD2 ASN 17 HD22 ASN 17 5.035 -6.837 5.221 135 H GLY 18 HN GLY 18 3.194 -1.210 3.717 136 1HA GLY 18 HA2 GLY 18 3.939 -0.033 1.448 137 2HA GLY 18 HA1 GLY 18 2.262 -0.737 1.203 138 H LEU 19 HN LEU 19 2.528 2.117 1.551 139 HA LEU 19 HA LEU 19 1.034 2.307 4.059 140 1HB LEU 19 HB2 LEU 19 3.067 3.826 4.203 141 2HB LEU 19 HB1 LEU 19 2.683 4.468 2.577 142 HG LEU 19 HG LEU 19 0.518 5.401 3.471 143 1HD1 LEU 19 HD11 LEU 19 0.124 3.913 5.428 144 2HD1 LEU 19 HD12 LEU 19 0.172 5.639 5.926 145 3HD1 LEU 19 HD13 LEU 19 1.593 4.577 6.245 146 1HD2 LEU 19 HD21 LEU 19 1.549 7.310 4.686 147 2HD2 LEU 19 HD22 LEU 19 2.527 6.830 3.257 148 3HD2 LEU 19 HD23 LEU 19 3.068 6.366 4.914 149 H CYS 20 HN CYS 20 -0.814 1.579 2.928 150 HA CYS 20 HA CYS 20 -1.381 2.785 0.325 151 1HB CYS 20 HB2 CYS 20 -2.844 0.675 2.020 152 2HB CYS 20 HB1 CYS 20 -3.454 1.301 0.458 153 H CYS 21 HN CYS 21 -3.172 4.213 0.027 154 HA CYS 21 HA CYS 21 -3.598 5.852 2.240 155 1HB CYS 21 HB2 CYS 21 -5.351 5.738 -0.273 156 2HB CYS 21 HB1 CYS 21 -5.240 7.091 0.888 157 H SER 22 HN SER 22 -5.645 3.235 0.867 158 HA SER 22 HA SER 22 -7.712 3.734 2.799 159 1HB SER 22 HB2 SER 22 -8.709 1.651 1.578 160 2HB SER 22 HB1 SER 22 -8.517 3.175 0.650 161 HG SER 22 HG SER 22 -7.085 0.770 0.494 162 H GLY 23 HN GLY 23 -4.708 2.522 3.320 163 1HA GLY 23 HA2 GLY 23 -4.311 1.773 5.399 164 2HA GLY 23 HA1 GLY 23 -5.834 0.816 5.422 165 H ALA 24 HN ALA 24 -5.830 -1.003 3.560 166 HA ALA 24 HA ALA 24 -3.653 -2.557 4.672 167 1HB ALA 24 HB1 ALA 24 -5.955 -3.502 2.859 168 2HB ALA 24 HB2 ALA 24 -5.976 -3.534 4.655 169 3HB ALA 24 HB3 ALA 24 -4.803 -4.556 3.756 170 H CYS 25 HN CYS 25 -2.002 -3.661 3.476 171 HA CYS 25 HA CYS 25 -1.952 -3.233 0.592 172 1HB CYS 25 HB2 CYS 25 0.002 -1.935 1.614 173 2HB CYS 25 HB1 CYS 25 0.405 -3.360 2.606 174 H VAL 26 HN VAL 26 -2.190 -5.313 -0.242 175 HA VAL 26 HA VAL 26 -1.230 -7.586 1.299 176 HB VAL 26 HB VAL 26 -3.512 -7.261 2.106 177 1HG1 VAL 26 HG11 VAL 26 -4.398 -5.897 0.184 178 2HG1 VAL 26 HG12 VAL 26 -5.483 -7.251 0.640 179 3HG1 VAL 26 HG13 VAL 26 -4.458 -7.383 -0.831 180 1HG2 VAL 26 HG21 VAL 26 -3.373 -9.642 0.149 181 2HG2 VAL 26 HG22 VAL 26 -4.432 -9.487 1.596 182 3HG2 VAL 26 HG23 VAL 26 -2.643 -9.584 1.795 183 H GLY 27 HN GLY 27 0.076 -6.317 -0.632 184 1HA GLY 27 HA2 GLY 27 1.122 -6.930 -2.555 185 2HA GLY 27 HA1 GLY 27 -0.285 -7.975 -3.019 186 H VAL 28 HN VAL 28 -2.426 -6.604 -3.002 187 HA VAL 28 HA VAL 28 -2.021 -4.140 -4.527 188 HB VAL 28 HB VAL 28 -4.534 -4.156 -4.716 189 1HG1 VAL 28 HG11 VAL 28 -2.977 -4.880 -6.529 190 2HG1 VAL 28 HG12 VAL 28 -4.497 -5.847 -6.548 191 3HG1 VAL 28 HG13 VAL 28 -2.979 -6.561 -5.883 192 1HG2 VAL 28 HG21 VAL 28 -5.007 -5.692 -2.742 193 2HG2 VAL 28 HG22 VAL 28 -4.247 -7.063 -3.642 194 3HG2 VAL 28 HG23 VAL 28 -5.731 -6.282 -4.277 195 H CYS 29 HN CYS 29 -3.085 -2.201 -3.702 196 HA CYS 29 HA CYS 29 -3.263 -2.093 -0.800 197 1HB CYS 29 HB2 CYS 29 -3.871 -0.093 -3.052 198 2HB CYS 29 HB1 CYS 29 -4.223 0.277 -1.333 199 H ALA 30 HN ALA 30 -5.169 -2.322 0.311 200 HA ALA 30 HA ALA 30 -7.665 -2.296 -1.250 201 1HB ALA 30 HB1 ALA 30 -6.899 -4.550 0.725 202 2HB ALA 30 HB2 ALA 30 -6.998 -4.736 -1.060 203 3HB ALA 30 HB3 ALA 30 -8.485 -4.366 -0.139 204 H ASP 31 HN ASP 31 -8.709 -3.391 1.586 205 HA ASP 31 HA ASP 31 -8.209 -1.190 3.252 206 1HB ASP 31 HB2 ASP 31 -10.754 -0.680 3.447 207 2HB ASP 31 HB1 ASP 31 -9.957 -0.006 1.994 208 H LEU 32 HN LEU 32 -9.674 -1.933 5.260 209 HA LEU 32 HA LEU 32 -9.114 -4.780 5.459 210 1HB LEU 32 HB2 LEU 32 -9.977 -2.685 7.548 211 2HB LEU 32 HB1 LEU 32 -9.760 -4.425 7.895 212 HG LEU 32 HG LEU 32 -7.860 -3.257 8.705 213 1HD1 LEU 32 HD11 LEU 32 -7.458 -5.511 7.741 214 2HD1 LEU 32 HD12 LEU 32 -6.000 -4.464 7.623 215 3HD1 LEU 32 HD13 LEU 32 -7.003 -4.776 6.160 216 1HD2 LEU 32 HD21 LEU 32 -7.235 -2.111 5.910 217 2HD2 LEU 32 HD22 LEU 32 -6.272 -1.917 7.416 218 3HD2 LEU 32 HD23 LEU 32 -7.919 -1.196 7.311 219 1HN NH2 33 H1 NH2 33 -12.558 -5.208 4.420 220 2HN NH2 33 H2 NH2 33 -10.951 -4.978 3.769 Start of MODEL 6 1 1H ASP 1 HT1 ASP 1 7.247 9.451 1.620 2 2H ASP 1 HT2 ASP 1 8.083 8.279 0.827 3 3H ASP 1 HT3 ASP 1 6.627 7.959 1.477 4 HA ASP 1 HA ASP 1 7.070 9.880 -0.687 5 1HB ASP 1 HB2 ASP 1 5.701 7.091 -0.732 6 2HB ASP 1 HB1 ASP 1 5.658 8.276 -2.098 7 H ASP 2 HN ASP 2 4.055 8.786 -1.158 8 HA ASP 2 HA ASP 2 2.876 10.553 0.880 9 1HB ASP 2 HB2 ASP 2 1.925 9.869 -1.984 10 2HB ASP 2 HB1 ASP 2 0.979 10.835 -0.778 11 H CYS 3 HN CYS 3 0.736 8.591 -1.020 12 HA CYS 3 HA CYS 3 1.001 6.382 0.860 13 1HB CYS 3 HB2 CYS 3 -1.349 6.008 1.039 14 2HB CYS 3 HB1 CYS 3 -1.078 7.703 1.510 15 H ILE 4 HN ILE 4 -0.449 4.572 -0.404 16 HA ILE 4 HA ILE 4 0.451 4.663 -3.195 17 HB ILE 4 HB ILE 4 0.050 2.193 -1.439 18 1HG1 ILE 4 HG12 ILE 4 2.639 3.643 -2.284 19 2HG1 ILE 4 HG11 ILE 4 1.980 3.557 -0.616 20 1HG2 ILE 4 HG21 ILE 4 1.197 1.059 -3.390 21 2HG2 ILE 4 HG22 ILE 4 1.250 2.612 -4.277 22 3HG2 ILE 4 HG23 ILE 4 -0.328 1.816 -3.897 23 1HD1 ILE 4 HD11 ILE 4 2.274 1.059 -0.621 24 2HD1 ILE 4 HD12 ILE 4 3.821 1.949 -0.852 25 3HD1 ILE 4 HD13 ILE 4 3.028 1.166 -2.260 26 H LYS 5 HN LYS 5 -1.196 3.705 -4.638 27 HA LYS 5 HA LYS 5 -3.567 5.105 -4.017 28 1HB LYS 5 HB2 LYS 5 -2.522 5.210 -6.284 29 2HB LYS 5 HB1 LYS 5 -2.745 3.434 -6.464 30 1HG LYS 5 HG2 LYS 5 -4.407 4.552 -7.807 31 2HG LYS 5 HG1 LYS 5 -5.232 3.744 -6.443 32 1HD LYS 5 HD2 LYS 5 -5.204 6.087 -5.260 33 2HD LYS 5 HD1 LYS 5 -4.627 6.745 -6.817 34 1HE LYS 5 HE2 LYS 5 -7.084 7.050 -6.593 35 2HE LYS 5 HE1 LYS 5 -6.734 5.897 -7.947 36 1HZ LYS 5 HZ1 LYS 5 -7.259 4.116 -6.437 37 2HZ LYS 5 HZ2 LYS 5 -8.504 5.154 -6.559 38 3HZ LYS 5 HZ3 LYS 5 -7.572 5.153 -5.227 39 HA HYP 6 HA HYP 6 -5.679 1.407 -2.736 40 1HB HYP 6 HB1 HYP 6 -8.008 1.924 -2.248 41 2HB HYP 6 HB2 HYP 6 -8.123 2.997 -3.697 42 1HD HYP 6 HD1 HYP 6 -6.319 5.027 -3.814 43 2HD HYP 6 HD2 HYP 6 -5.080 4.966 -2.496 44 HOD HYP 6 HOD HYP 6 -6.614 2.587 -0.674 45 HG HYP 6 HG HYP 6 -7.709 4.611 -1.829 46 H TYR 7 HN TYR 7 -5.918 -0.518 -3.850 47 HA TYR 7 HA TYR 7 -6.055 -1.933 -5.362 48 1HB TYR 7 HB2 TYR 7 -7.808 -0.072 -7.043 49 2HB TYR 7 HB1 TYR 7 -7.538 -1.836 -7.341 50 HD1 TYR 7 HD1 TYR 7 -8.099 -3.485 -5.411 51 HD2 TYR 7 HD2 TYR 7 -9.404 0.610 -5.446 52 HE1 TYR 7 HE1 TYR 7 -9.768 -4.007 -3.681 53 HE2 TYR 7 HE2 TYR 7 -11.079 0.095 -3.708 54 HH TYR 7 HH TYR 7 -11.479 -3.185 -2.358 55 H GLY 8 HN GLY 8 -4.005 0.409 -5.393 56 1HA GLY 8 HA2 GLY 8 -2.806 -0.277 -7.969 57 2HA GLY 8 HA1 GLY 8 -2.251 0.902 -6.695 58 H PHE 9 HN PHE 9 -0.356 -0.991 -7.597 59 HA PHE 9 HA PHE 9 -0.393 -3.202 -5.736 60 1HB PHE 9 HB2 PHE 9 1.938 -3.675 -6.845 61 2HB PHE 9 HB1 PHE 9 0.456 -3.955 -7.816 62 HD1 PHE 9 HD1 PHE 9 3.320 -1.604 -7.305 63 HD2 PHE 9 HD2 PHE 9 -0.098 -2.609 -9.718 64 HE1 PHE 9 HE1 PHE 9 4.055 0.008 -9.033 65 HE2 PHE 9 HE2 PHE 9 0.634 -0.985 -11.428 66 HZ PHE 9 HZ PHE 9 2.715 0.319 -11.094 67 H CYS 10 HN CYS 10 1.468 -3.498 -4.182 68 HA CYS 10 HA CYS 10 2.791 -1.030 -3.471 69 1HB CYS 10 HB2 CYS 10 1.921 -1.240 -1.060 70 2HB CYS 10 HB1 CYS 10 0.704 -0.715 -2.241 71 H SER 11 HN SER 11 3.811 -1.950 -1.006 72 HA SER 11 HA SER 11 4.632 -4.604 -1.202 73 1HB SER 11 HB2 SER 11 7.128 -3.934 -1.008 74 2HB SER 11 HB1 SER 11 6.453 -3.675 -2.659 75 HG SER 11 HG SER 11 7.573 -1.881 -2.091 76 H LEU 12 HN LEU 12 6.195 -4.434 1.080 77 HA LEU 12 HA LEU 12 4.758 -2.561 2.834 78 1HB LEU 12 HB2 LEU 12 6.061 -5.288 3.515 79 2HB LEU 12 HB1 LEU 12 5.410 -4.105 4.686 80 HG LEU 12 HG LEU 12 3.865 -5.875 4.536 81 1HD1 LEU 12 HD11 LEU 12 2.640 -3.636 2.810 82 2HD1 LEU 12 HD12 LEU 12 2.848 -3.577 4.599 83 3HD1 LEU 12 HD13 LEU 12 1.756 -4.812 3.856 84 1HD2 LEU 12 HD21 LEU 12 3.638 -5.634 1.477 85 2HD2 LEU 12 HD22 LEU 12 2.797 -6.794 2.561 86 3HD2 LEU 12 HD23 LEU 12 4.585 -6.897 2.359 87 HA PRO 13 HA PRO 13 9.226 -1.597 2.687 88 1HB PRO 13 HB2 PRO 13 8.973 1.109 3.466 89 2HB PRO 13 HB1 PRO 13 8.949 0.519 1.761 90 1HG PRO 13 HG1 PRO 13 6.518 1.143 3.529 91 2HG PRO 13 HG2 PRO 13 6.811 1.606 1.799 92 1HD PRO 13 HD1 PRO 13 5.264 -0.546 2.571 93 2HD PRO 13 HD2 PRO 13 6.312 -0.648 1.082 94 H ILE 14 HN ILE 14 10.604 -1.509 4.550 95 HA ILE 14 HA ILE 14 9.257 -2.525 6.839 96 HB ILE 14 HB ILE 14 11.140 -3.729 6.186 97 1HG1 ILE 14 HG12 ILE 14 12.100 -2.079 8.602 98 2HG1 ILE 14 HG11 ILE 14 10.761 -3.275 8.674 99 1HG2 ILE 14 HG21 ILE 14 12.311 -2.014 4.777 100 2HG2 ILE 14 HG22 ILE 14 13.424 -2.826 5.902 101 3HG2 ILE 14 HG23 ILE 14 12.867 -1.165 6.275 102 1HD1 ILE 14 HD11 ILE 14 13.690 -3.886 7.895 103 2HD1 ILE 14 HD12 ILE 14 12.329 -5.079 7.879 104 3HD1 ILE 14 HD13 ILE 14 12.856 -4.325 9.431 105 H LEU 15 HN LEU 15 11.325 0.328 6.108 106 HA LEU 15 HA LEU 15 10.191 1.661 8.468 107 1HB LEU 15 HB2 LEU 15 12.194 2.706 6.356 108 2HB LEU 15 HB1 LEU 15 11.518 3.655 7.724 109 HG LEU 15 HG LEU 15 13.400 1.227 7.895 110 1HD1 LEU 15 HD11 LEU 15 15.057 2.844 8.749 111 2HD1 LEU 15 HD12 LEU 15 13.861 4.187 8.660 112 3HD1 LEU 15 HD13 LEU 15 14.443 3.399 7.145 113 1HD2 LEU 15 HD21 LEU 15 12.154 2.872 10.200 114 2HD2 LEU 15 HD22 LEU 15 13.511 1.707 10.372 115 3HD2 LEU 15 HD23 LEU 15 11.898 1.116 9.854 116 H LYS 16 HN LYS 16 8.101 1.874 7.883 117 HA LYS 16 HA LYS 16 7.129 1.789 5.387 118 1HB LYS 16 HB2 LYS 16 5.722 3.207 7.703 119 2HB LYS 16 HB1 LYS 16 4.969 2.577 6.201 120 1HG LYS 16 HG2 LYS 16 5.964 0.245 6.915 121 2HG LYS 16 HG1 LYS 16 6.268 1.008 8.511 122 1HD LYS 16 HD2 LYS 16 4.206 -0.150 8.718 123 2HD LYS 16 HD1 LYS 16 3.763 1.592 8.600 124 1HE LYS 16 HE2 LYS 16 3.176 1.219 6.137 125 2HE LYS 16 HE1 LYS 16 3.611 -0.525 6.331 126 1HZ LYS 16 HZ1 LYS 16 1.494 0.889 7.799 127 2HZ LYS 16 HZ2 LYS 16 1.879 -0.683 7.965 128 3HZ LYS 16 HZ3 LYS 16 1.282 -0.134 6.554 129 H ASN 17 HN ASN 17 7.651 3.092 3.725 130 HA ASN 17 HA ASN 17 7.977 5.936 4.219 131 1HB ASN 17 HB2 ASN 17 9.588 4.322 2.761 132 2HB ASN 17 HB1 ASN 17 8.392 4.634 1.463 133 1HD2 ASN 17 HD21 ASN 17 10.480 6.270 3.955 134 2HD2 ASN 17 HD22 ASN 17 10.821 7.689 3.018 135 H GLY 18 HN GLY 18 5.424 3.717 3.357 136 1HA GLY 18 HA2 GLY 18 3.761 5.817 2.766 137 2HA GLY 18 HA1 GLY 18 4.138 4.784 1.289 138 H LEU 19 HN LEU 19 1.575 4.381 2.242 139 HA LEU 19 HA LEU 19 1.531 1.737 3.039 140 1HB LEU 19 HB2 LEU 19 -0.387 2.384 4.792 141 2HB LEU 19 HB1 LEU 19 1.282 2.223 5.378 142 HG LEU 19 HG LEU 19 0.581 5.005 4.494 143 1HD1 LEU 19 HD11 LEU 19 -1.611 4.405 5.428 144 2HD1 LEU 19 HD12 LEU 19 -0.751 5.542 6.519 145 3HD1 LEU 19 HD13 LEU 19 -0.839 3.787 6.942 146 1HD2 LEU 19 HD21 LEU 19 1.789 5.605 6.570 147 2HD2 LEU 19 HD22 LEU 19 2.745 4.376 5.665 148 3HD2 LEU 19 HD23 LEU 19 1.795 3.889 7.112 149 H CYS 20 HN CYS 20 -1.204 1.574 2.849 150 HA CYS 20 HA CYS 20 -1.610 3.027 0.361 151 1HB CYS 20 HB2 CYS 20 -3.341 0.929 1.768 152 2HB CYS 20 HB1 CYS 20 -3.630 1.613 0.138 153 H CYS 21 HN CYS 21 -3.602 4.408 0.081 154 HA CYS 21 HA CYS 21 -3.968 5.973 2.411 155 1HB CYS 21 HB2 CYS 21 -5.129 6.046 -0.391 156 2HB CYS 21 HB1 CYS 21 -6.023 6.893 0.902 157 H SER 22 HN SER 22 -5.872 3.364 0.949 158 HA SER 22 HA SER 22 -7.919 3.558 2.960 159 1HB SER 22 HB2 SER 22 -8.711 1.365 1.839 160 2HB SER 22 HB1 SER 22 -8.661 2.823 0.791 161 HG SER 22 HG SER 22 -7.060 0.529 0.802 162 H GLY 23 HN GLY 23 -4.745 2.733 3.406 163 1HA GLY 23 HA2 GLY 23 -4.085 1.928 5.373 164 2HA GLY 23 HA1 GLY 23 -5.583 0.949 5.554 165 H ALA 24 HN ALA 24 -5.775 -0.922 3.865 166 HA ALA 24 HA ALA 24 -3.462 -2.402 4.651 167 1HB ALA 24 HB1 ALA 24 -5.700 -3.457 4.864 168 2HB ALA 24 HB2 ALA 24 -4.658 -4.427 3.769 169 3HB ALA 24 HB3 ALA 24 -5.933 -3.350 3.083 170 H CYS 25 HN CYS 25 -2.050 -3.696 3.353 171 HA CYS 25 HA CYS 25 -2.045 -3.253 0.494 172 1HB CYS 25 HB2 CYS 25 -0.062 -1.930 1.425 173 2HB CYS 25 HB1 CYS 25 0.339 -3.307 2.486 174 H VAL 26 HN VAL 26 -2.191 -5.381 -0.317 175 HA VAL 26 HA VAL 26 -1.149 -7.571 1.266 176 HB VAL 26 HB VAL 26 -3.366 -7.407 2.181 177 1HG1 VAL 26 HG11 VAL 26 -4.451 -7.349 -0.710 178 2HG1 VAL 26 HG12 VAL 26 -4.453 -5.986 0.463 179 3HG1 VAL 26 HG13 VAL 26 -5.432 -7.443 0.799 180 1HG2 VAL 26 HG21 VAL 26 -3.259 -9.712 0.127 181 2HG2 VAL 26 HG22 VAL 26 -4.236 -9.643 1.638 182 3HG2 VAL 26 HG23 VAL 26 -2.436 -9.673 1.727 183 H GLY 27 HN GLY 27 0.083 -6.346 -0.655 184 1HA GLY 27 HA2 GLY 27 1.175 -7.062 -2.543 185 2HA GLY 27 HA1 GLY 27 -0.270 -8.045 -3.033 186 H VAL 28 HN VAL 28 -2.337 -6.529 -2.993 187 HA VAL 28 HA VAL 28 -1.706 -4.032 -4.420 188 HB VAL 28 HB VAL 28 -4.124 -3.987 -5.054 189 1HG1 VAL 28 HG11 VAL 28 -2.434 -6.373 -6.072 190 2HG1 VAL 28 HG12 VAL 28 -2.300 -4.662 -6.620 191 3HG1 VAL 28 HG13 VAL 28 -3.808 -5.594 -6.943 192 1HG2 VAL 28 HG21 VAL 28 -5.436 -6.091 -4.927 193 2HG2 VAL 28 HG22 VAL 28 -4.956 -5.601 -3.269 194 3HG2 VAL 28 HG23 VAL 28 -4.088 -6.948 -4.108 195 H CYS 29 HN CYS 29 -2.997 -2.191 -3.711 196 HA CYS 29 HA CYS 29 -3.270 -2.119 -0.829 197 1HB CYS 29 HB2 CYS 29 -3.900 -0.159 -3.102 198 2HB CYS 29 HB1 CYS 29 -4.288 0.223 -1.393 199 H ALA 30 HN ALA 30 -5.256 -2.136 0.325 200 HA ALA 30 HA ALA 30 -7.687 -2.267 -1.289 201 1HB ALA 30 HB1 ALA 30 -6.875 -4.708 -1.112 202 2HB ALA 30 HB2 ALA 30 -8.440 -4.428 -0.290 203 3HB ALA 30 HB3 ALA 30 -6.919 -4.534 0.676 204 H ASP 31 HN ASP 31 -9.313 -3.103 0.821 205 HA ASP 31 HA ASP 31 -8.856 -1.103 2.907 206 1HB ASP 31 HB2 ASP 31 -11.278 -1.314 3.441 207 2HB ASP 31 HB1 ASP 31 -11.055 -0.784 1.745 208 H LEU 32 HN LEU 32 -10.332 -2.473 5.015 209 HA LEU 32 HA LEU 32 -9.635 -5.167 4.959 210 1HB LEU 32 HB2 LEU 32 -7.526 -3.578 5.905 211 2HB LEU 32 HB1 LEU 32 -8.550 -3.591 7.368 212 HG LEU 32 HG LEU 32 -8.395 -6.082 7.456 213 1HD1 LEU 32 HD11 LEU 32 -6.586 -5.849 4.956 214 2HD1 LEU 32 HD12 LEU 32 -8.181 -6.670 5.035 215 3HD1 LEU 32 HD13 LEU 32 -6.795 -7.328 5.963 216 1HD2 LEU 32 HD21 LEU 32 -5.652 -4.691 7.148 217 2HD2 LEU 32 HD22 LEU 32 -5.976 -6.210 8.068 218 3HD2 LEU 32 HD23 LEU 32 -6.702 -4.655 8.613 219 1HN NH2 33 H1 NH2 33 -10.880 -5.859 7.133 220 2HN NH2 33 H2 NH2 33 -12.166 -4.797 7.595 Start of MODEL 7 1 1H ASP 1 HT1 ASP 1 2.361 10.544 3.033 2 2H ASP 1 HT2 ASP 1 1.819 12.068 3.153 3 3H ASP 1 HT3 ASP 1 2.892 11.506 4.252 4 HA ASP 1 HA ASP 1 3.907 12.999 2.619 5 1HB ASP 1 HB2 ASP 1 4.744 9.991 2.407 6 2HB ASP 1 HB1 ASP 1 5.700 11.353 1.705 7 H ASP 2 HN ASP 2 4.105 10.134 0.597 8 HA ASP 2 HA ASP 2 1.749 10.948 -0.957 9 1HB ASP 2 HB2 ASP 2 3.866 8.753 -1.476 10 2HB ASP 2 HB1 ASP 2 2.461 9.117 -2.548 11 H CYS 3 HN CYS 3 1.090 8.092 -1.547 12 HA CYS 3 HA CYS 3 1.166 6.612 0.767 13 1HB CYS 3 HB2 CYS 3 -1.260 6.163 1.004 14 2HB CYS 3 HB1 CYS 3 -0.952 7.879 1.394 15 H ILE 4 HN ILE 4 -0.277 4.546 -0.279 16 HA ILE 4 HA ILE 4 0.421 4.537 -3.132 17 HB ILE 4 HB ILE 4 0.008 2.148 -1.293 18 1HG1 ILE 4 HG12 ILE 4 2.659 3.426 -2.212 19 2HG1 ILE 4 HG11 ILE 4 1.997 3.486 -0.552 20 1HG2 ILE 4 HG21 ILE 4 -0.417 1.769 -3.772 21 2HG2 ILE 4 HG22 ILE 4 1.041 0.913 -3.224 22 3HG2 ILE 4 HG23 ILE 4 1.218 2.446 -4.144 23 1HD1 ILE 4 HD11 ILE 4 2.066 0.957 -0.441 24 2HD1 ILE 4 HD12 ILE 4 3.677 1.751 -0.590 25 3HD1 ILE 4 HD13 ILE 4 2.938 0.963 -2.029 26 H LYS 5 HN LYS 5 -1.321 3.608 -4.470 27 HA LYS 5 HA LYS 5 -3.658 5.046 -3.714 28 1HB LYS 5 HB2 LYS 5 -2.400 5.236 -5.967 29 2HB LYS 5 HB1 LYS 5 -2.929 3.558 -6.325 30 1HG LYS 5 HG2 LYS 5 -4.339 5.052 -7.547 31 2HG LYS 5 HG1 LYS 5 -5.350 4.374 -6.235 32 1HD LYS 5 HD2 LYS 5 -5.000 6.521 -4.918 33 2HD LYS 5 HD1 LYS 5 -3.969 7.138 -6.255 34 1HE LYS 5 HE2 LYS 5 -5.942 6.996 -7.831 35 2HE LYS 5 HE1 LYS 5 -6.976 6.411 -6.465 36 1HZ LYS 5 HZ1 LYS 5 -7.175 8.752 -6.838 37 2HZ LYS 5 HZ2 LYS 5 -5.590 9.003 -6.574 38 3HZ LYS 5 HZ3 LYS 5 -6.544 8.483 -5.364 39 HA HYP 6 HA HYP 6 -5.734 1.278 -2.751 40 1HB HYP 6 HB1 HYP 6 -8.036 1.716 -2.222 41 2HB HYP 6 HB2 HYP 6 -8.305 2.538 -3.806 42 1HD HYP 6 HD1 HYP 6 -6.712 4.623 -4.319 43 2HD HYP 6 HD2 HYP 6 -5.602 5.103 -2.962 44 HOD HYP 6 HOD HYP 6 -6.688 2.748 -0.854 45 HG HYP 6 HG HYP 6 -8.124 4.458 -2.265 46 H TYR 7 HN TYR 7 -6.013 -0.708 -3.875 47 HA TYR 7 HA TYR 7 -6.059 -2.092 -5.444 48 1HB TYR 7 HB2 TYR 7 -7.709 -0.189 -7.185 49 2HB TYR 7 HB1 TYR 7 -7.498 -1.965 -7.439 50 HD1 TYR 7 HD1 TYR 7 -8.068 -3.475 -5.308 51 HD2 TYR 7 HD2 TYR 7 -9.559 0.509 -5.925 52 HE1 TYR 7 HE1 TYR 7 -9.900 -3.918 -3.717 53 HE2 TYR 7 HE2 TYR 7 -11.392 0.075 -4.344 54 HH TYR 7 HH TYR 7 -12.348 -1.432 -2.917 55 H GLY 8 HN GLY 8 -4.040 0.297 -5.411 56 1HA GLY 8 HA2 GLY 8 -2.805 -0.302 -7.999 57 2HA GLY 8 HA1 GLY 8 -2.351 0.957 -6.761 58 H PHE 9 HN PHE 9 -0.352 -0.868 -7.663 59 HA PHE 9 HA PHE 9 -0.309 -3.121 -5.895 60 1HB PHE 9 HB2 PHE 9 1.960 -2.016 -7.678 61 2HB PHE 9 HB1 PHE 9 1.874 -3.659 -6.937 62 HD1 PHE 9 HD1 PHE 9 0.955 -1.603 -9.784 63 HD2 PHE 9 HD2 PHE 9 -0.080 -5.193 -7.645 64 HE1 PHE 9 HE1 PHE 9 -0.304 -2.412 -11.746 65 HE2 PHE 9 HE2 PHE 9 -1.328 -6.001 -9.623 66 HZ PHE 9 HZ PHE 9 -1.437 -4.615 -11.676 67 H CYS 10 HN CYS 10 1.118 -3.379 -4.046 68 HA CYS 10 HA CYS 10 2.452 -0.872 -3.247 69 1HB CYS 10 HB2 CYS 10 2.077 -1.577 -0.835 70 2HB CYS 10 HB1 CYS 10 0.661 -0.974 -1.729 71 H SER 11 HN SER 11 4.143 -1.519 -1.404 72 HA SER 11 HA SER 11 5.595 -3.651 -1.237 73 1HB SER 11 HB2 SER 11 7.604 -3.014 -2.806 74 2HB SER 11 HB1 SER 11 6.241 -3.837 -3.622 75 HG SER 11 HG SER 11 5.571 -2.013 -4.486 76 H LEU 12 HN LEU 12 7.989 -1.472 -1.535 77 HA LEU 12 HA LEU 12 6.700 0.688 -0.012 78 1HB LEU 12 HB2 LEU 12 9.602 -0.238 0.352 79 2HB LEU 12 HB1 LEU 12 8.790 1.143 1.160 80 HG LEU 12 HG LEU 12 8.151 -1.853 1.514 81 1HD1 LEU 12 HD11 LEU 12 9.544 0.102 3.455 82 2HD1 LEU 12 HD12 LEU 12 10.348 -1.189 2.489 83 3HD1 LEU 12 HD13 LEU 12 9.161 -1.629 3.769 84 1HD2 LEU 12 HD21 LEU 12 6.925 0.553 3.007 85 2HD2 LEU 12 HD22 LEU 12 6.728 -1.174 3.471 86 3HD2 LEU 12 HD23 LEU 12 6.068 -0.583 1.912 87 HA PRO 13 HA PRO 13 9.106 2.285 -3.539 88 1HB PRO 13 HB2 PRO 13 7.236 2.128 -5.519 89 2HB PRO 13 HB1 PRO 13 7.546 0.617 -4.578 90 1HG PRO 13 HG1 PRO 13 5.220 2.580 -4.259 91 2HG PRO 13 HG2 PRO 13 5.210 0.769 -4.198 92 1HD PRO 13 HD1 PRO 13 5.505 2.657 -1.975 93 2HD PRO 13 HD2 PRO 13 5.597 0.862 -1.908 94 H ILE 14 HN ILE 14 7.895 4.138 -1.535 95 HA ILE 14 HA ILE 14 7.575 6.415 -3.369 96 HB ILE 14 HB ILE 14 6.026 7.497 -1.642 97 1HG1 ILE 14 HG12 ILE 14 5.476 4.523 -0.963 98 2HG1 ILE 14 HG11 ILE 14 6.130 5.758 0.166 99 1HG2 ILE 14 HG21 ILE 14 4.077 6.672 -2.958 100 2HG2 ILE 14 HG22 ILE 14 5.016 5.218 -3.470 101 3HG2 ILE 14 HG23 ILE 14 5.511 6.860 -4.010 102 1HD1 ILE 14 HD11 ILE 14 3.704 5.390 0.557 103 2HD1 ILE 14 HD12 ILE 14 3.333 5.824 -1.139 104 3HD1 ILE 14 HD13 ILE 14 4.006 7.066 -0.015 105 H LEU 15 HN LEU 15 8.060 5.384 0.062 106 HA LEU 15 HA LEU 15 10.671 6.631 -0.164 107 1HB LEU 15 HB2 LEU 15 8.944 6.520 2.415 108 2HB LEU 15 HB1 LEU 15 10.689 6.945 2.347 109 HG LEU 15 HG LEU 15 9.513 8.918 2.739 110 1HD1 LEU 15 HD11 LEU 15 10.203 10.388 0.892 111 2HD1 LEU 15 HD12 LEU 15 10.299 9.002 -0.246 112 3HD1 LEU 15 HD13 LEU 15 11.439 9.106 1.149 113 1HD2 LEU 15 HD21 LEU 15 7.234 8.240 1.942 114 2HD2 LEU 15 HD22 LEU 15 7.748 8.574 0.244 115 3HD2 LEU 15 HD23 LEU 15 7.720 9.905 1.449 116 H LYS 16 HN LYS 16 11.479 5.215 2.222 117 HA LYS 16 HA LYS 16 10.973 2.449 1.431 118 1HB LYS 16 HB2 LYS 16 13.003 3.673 3.378 119 2HB LYS 16 HB1 LYS 16 12.883 1.924 3.008 120 1HG LYS 16 HG2 LYS 16 13.391 3.967 0.754 121 2HG LYS 16 HG1 LYS 16 14.700 3.445 1.851 122 1HD LYS 16 HD2 LYS 16 14.806 2.149 -0.183 123 2HD LYS 16 HD1 LYS 16 14.451 1.099 1.224 124 1HE LYS 16 HE2 LYS 16 13.206 0.406 -0.833 125 2HE LYS 16 HE1 LYS 16 12.072 0.861 0.491 126 1HZ LYS 16 HZ1 LYS 16 11.421 1.761 -1.595 127 2HZ LYS 16 HZ2 LYS 16 12.830 2.551 -1.797 128 3HZ LYS 16 HZ3 LYS 16 11.814 2.984 -0.598 129 H ASN 17 HN ASN 17 8.844 4.048 2.557 130 HA ASN 17 HA ASN 17 8.030 2.027 4.180 131 1HB ASN 17 HB2 ASN 17 7.033 3.194 6.049 132 2HB ASN 17 HB1 ASN 17 8.781 3.555 6.129 133 1HD2 ASN 17 HD22 ASN 17 9.326 5.768 4.814 134 2HD2 ASN 17 HD21 ASN 17 8.264 7.093 5.208 135 H GLY 18 HN GLY 18 5.387 2.551 4.017 136 1HA GLY 18 HA2 GLY 18 4.611 4.616 2.426 137 2HA GLY 18 HA1 GLY 18 4.822 3.053 1.465 138 H LEU 19 HN LEU 19 2.087 3.925 2.136 139 HA LEU 19 HA LEU 19 1.280 1.729 3.703 140 1HB LEU 19 HB2 LEU 19 0.482 4.659 4.406 141 2HB LEU 19 HB1 LEU 19 -0.392 3.204 4.988 142 HG LEU 19 HG LEU 19 2.515 3.933 5.689 143 1HD1 LEU 19 HD11 LEU 19 -0.058 4.218 7.368 144 2HD1 LEU 19 HD12 LEU 19 0.920 5.563 6.664 145 3HD1 LEU 19 HD13 LEU 19 1.625 4.511 7.948 146 1HD2 LEU 19 HD21 LEU 19 2.311 2.168 7.453 147 2HD2 LEU 19 HD22 LEU 19 2.159 1.471 5.806 148 3HD2 LEU 19 HD23 LEU 19 0.685 1.713 6.818 149 H CYS 20 HN CYS 20 -1.163 1.684 3.081 150 HA CYS 20 HA CYS 20 -1.468 2.885 0.431 151 1HB CYS 20 HB2 CYS 20 -3.150 0.831 1.975 152 2HB CYS 20 HB1 CYS 20 -3.561 1.476 0.364 153 H CYS 21 HN CYS 21 -3.306 4.333 0.068 154 HA CYS 21 HA CYS 21 -3.862 5.948 2.316 155 1HB CYS 21 HB2 CYS 21 -4.775 5.903 -0.564 156 2HB CYS 21 HB1 CYS 21 -5.893 6.683 0.580 157 H SER 22 HN SER 22 -5.641 3.182 0.947 158 HA SER 22 HA SER 22 -7.892 3.657 2.672 159 1HB SER 22 HB2 SER 22 -8.626 1.426 1.560 160 2HB SER 22 HB1 SER 22 -8.443 2.848 0.505 161 HG SER 22 HG SER 22 -6.918 0.529 0.696 162 H GLY 23 HN GLY 23 -4.768 2.505 3.178 163 1HA GLY 23 HA2 GLY 23 -4.280 2.014 5.346 164 2HA GLY 23 HA1 GLY 23 -5.739 0.964 5.490 165 H ALA 24 HN ALA 24 -5.753 -0.967 3.904 166 HA ALA 24 HA ALA 24 -3.374 -2.311 4.817 167 1HB ALA 24 HB1 ALA 24 -5.611 -3.382 5.199 168 2HB ALA 24 HB2 ALA 24 -4.544 -4.432 4.205 169 3HB ALA 24 HB3 ALA 24 -5.855 -3.478 3.415 170 H CYS 25 HN CYS 25 -2.104 -3.822 3.498 171 HA CYS 25 HA CYS 25 -2.030 -3.244 0.649 172 1HB CYS 25 HB2 CYS 25 -0.031 -2.069 1.635 173 2HB CYS 25 HB1 CYS 25 0.252 -3.443 2.737 174 H VAL 26 HN VAL 26 -2.261 -5.289 -0.322 175 HA VAL 26 HA VAL 26 -1.543 -7.651 1.220 176 HB VAL 26 HB VAL 26 -3.918 -7.181 1.707 177 1HG1 VAL 26 HG11 VAL 26 -4.377 -7.259 -1.348 178 2HG1 VAL 26 HG12 VAL 26 -4.513 -5.817 -0.276 179 3HG1 VAL 26 HG13 VAL 26 -5.643 -7.195 -0.077 180 1HG2 VAL 26 HG21 VAL 26 -3.582 -9.611 -0.161 181 2HG2 VAL 26 HG22 VAL 26 -4.847 -9.374 1.095 182 3HG2 VAL 26 HG23 VAL 26 -3.121 -9.532 1.583 183 H GLY 27 HN GLY 27 -0.127 -6.150 -0.690 184 1HA GLY 27 HA2 GLY 27 1.171 -6.889 -2.447 185 2HA GLY 27 HA1 GLY 27 -0.181 -7.938 -3.037 186 H VAL 28 HN VAL 28 -2.325 -6.419 -3.067 187 HA VAL 28 HA VAL 28 -1.660 -3.926 -4.489 188 HB VAL 28 HB VAL 28 -4.084 -3.817 -5.078 189 1HG1 VAL 28 HG11 VAL 28 -2.348 -4.548 -6.689 190 2HG1 VAL 28 HG12 VAL 28 -3.881 -5.449 -6.960 191 3HG1 VAL 28 HG13 VAL 28 -2.498 -6.257 -6.128 192 1HG2 VAL 28 HG21 VAL 28 -5.460 -5.889 -4.930 193 2HG2 VAL 28 HG22 VAL 28 -4.970 -5.356 -3.289 194 3HG2 VAL 28 HG23 VAL 28 -4.143 -6.758 -4.073 195 H CYS 29 HN CYS 29 -2.989 -2.073 -3.701 196 HA CYS 29 HA CYS 29 -3.252 -2.140 -0.803 197 1HB CYS 29 HB2 CYS 29 -3.930 -0.065 -2.954 198 2HB CYS 29 HB1 CYS 29 -4.272 0.211 -1.214 199 H ALA 30 HN ALA 30 -5.210 -2.150 0.366 200 HA ALA 30 HA ALA 30 -7.672 -2.199 -1.161 201 1HB ALA 30 HB1 ALA 30 -8.437 -4.410 -0.296 202 2HB ALA 30 HB2 ALA 30 -6.860 -4.640 0.567 203 3HB ALA 30 HB3 ALA 30 -6.932 -4.643 -1.231 204 H ASP 31 HN ASP 31 -8.997 -3.459 1.269 205 HA ASP 31 HA ASP 31 -8.369 -2.239 3.575 206 1HB ASP 31 HB2 ASP 31 -10.414 -0.706 3.793 207 2HB ASP 31 HB1 ASP 31 -9.141 -0.025 2.769 208 H LEU 32 HN LEU 32 -10.995 -2.444 4.554 209 HA LEU 32 HA LEU 32 -11.613 -5.208 3.948 210 1HB LEU 32 HB2 LEU 32 -12.918 -3.269 5.963 211 2HB LEU 32 HB1 LEU 32 -13.254 -5.015 5.785 212 HG LEU 32 HG LEU 32 -11.958 -4.828 7.707 213 1HD1 LEU 32 HD11 LEU 32 -9.886 -5.630 5.562 214 2HD1 LEU 32 HD12 LEU 32 -11.207 -6.683 6.200 215 3HD1 LEU 32 HD13 LEU 32 -9.899 -6.108 7.296 216 1HD2 LEU 32 HD21 LEU 32 -9.872 -3.635 8.057 217 2HD2 LEU 32 HD22 LEU 32 -11.103 -2.494 7.410 218 3HD2 LEU 32 HD23 LEU 32 -9.792 -3.121 6.340 219 1HN NH2 33 H1 NH2 33 -12.145 -4.327 1.657 220 2HN NH2 33 H2 NH2 33 -13.791 -3.800 1.392 Start of MODEL 8 1 1H ASP 1 HT1 ASP 1 7.066 9.708 1.924 2 2H ASP 1 HT2 ASP 1 7.854 8.282 1.691 3 3H ASP 1 HT3 ASP 1 6.326 8.298 2.239 4 HA ASP 1 HA ASP 1 7.150 9.255 -0.400 5 1HB ASP 1 HB2 ASP 1 5.334 6.844 0.357 6 2HB ASP 1 HB1 ASP 1 5.696 7.388 -1.326 7 H ASP 2 HN ASP 2 4.225 8.591 -1.160 8 HA ASP 2 HA ASP 2 2.880 10.700 0.387 9 1HB ASP 2 HB2 ASP 2 2.297 9.511 -2.411 10 2HB ASP 2 HB1 ASP 2 1.184 10.639 -1.537 11 H CYS 3 HN CYS 3 0.837 8.473 -1.366 12 HA CYS 3 HA CYS 3 1.040 6.477 0.675 13 1HB CYS 3 HB2 CYS 3 -1.352 6.101 0.887 14 2HB CYS 3 HB1 CYS 3 -0.999 7.754 1.463 15 H ILE 4 HN ILE 4 -0.055 4.541 -0.355 16 HA ILE 4 HA ILE 4 0.428 4.598 -3.236 17 HB ILE 4 HB ILE 4 0.076 2.231 -1.335 18 1HG1 ILE 4 HG12 ILE 4 2.676 3.475 -2.460 19 2HG1 ILE 4 HG11 ILE 4 2.099 3.662 -0.774 20 1HG2 ILE 4 HG21 ILE 4 -0.476 1.618 -3.658 21 2HG2 ILE 4 HG22 ILE 4 1.162 0.994 -3.308 22 3HG2 ILE 4 HG23 ILE 4 0.979 2.472 -4.298 23 1HD1 ILE 4 HD11 ILE 4 2.156 1.104 -0.541 24 2HD1 ILE 4 HD12 ILE 4 3.736 1.963 -0.663 25 3HD1 ILE 4 HD13 ILE 4 3.093 1.081 -2.093 26 H LYS 5 HN LYS 5 -1.305 3.610 -4.595 27 HA LYS 5 HA LYS 5 -3.630 5.088 -3.924 28 1HB LYS 5 HB2 LYS 5 -2.470 4.978 -6.250 29 2HB LYS 5 HB1 LYS 5 -3.095 3.315 -6.390 30 1HG LYS 5 HG2 LYS 5 -4.518 4.766 -7.691 31 2HG LYS 5 HG1 LYS 5 -5.441 4.170 -6.283 32 1HD LYS 5 HD2 LYS 5 -6.063 6.421 -6.615 33 2HD LYS 5 HD1 LYS 5 -5.037 6.448 -5.146 34 1HE LYS 5 HE2 LYS 5 -4.050 7.195 -7.995 35 2HE LYS 5 HE1 LYS 5 -4.721 8.378 -6.802 36 1HZ LYS 5 HZ1 LYS 5 -2.424 8.417 -6.643 37 2HZ LYS 5 HZ2 LYS 5 -2.271 6.802 -6.537 38 3HZ LYS 5 HZ3 LYS 5 -2.933 7.637 -5.305 39 HA HYP 6 HA HYP 6 -5.823 1.416 -2.682 40 1HB HYP 6 HB1 HYP 6 -8.121 1.933 -2.212 41 2HB HYP 6 HB2 HYP 6 -8.323 2.773 -3.799 42 1HD HYP 6 HD1 HYP 6 -6.640 4.817 -4.255 43 2HD HYP 6 HD2 HYP 6 -5.495 5.187 -2.894 44 HOD HYP 6 HOD HYP 6 -6.703 2.864 -0.843 45 HG HYP 6 HG HYP 6 -8.065 4.670 -2.223 46 H TYR 7 HN TYR 7 -5.987 -0.564 -3.777 47 HA TYR 7 HA TYR 7 -5.823 -1.958 -5.299 48 1HB TYR 7 HB2 TYR 7 -7.856 -0.326 -6.904 49 2HB TYR 7 HB1 TYR 7 -7.295 -1.996 -7.328 50 HD1 TYR 7 HD1 TYR 7 -9.329 0.000 -4.966 51 HD2 TYR 7 HD2 TYR 7 -7.659 -3.882 -5.750 52 HE1 TYR 7 HE1 TYR 7 -10.695 -0.957 -3.145 53 HE2 TYR 7 HE2 TYR 7 -9.032 -4.846 -3.965 54 HH TYR 7 HH TYR 7 -10.410 -4.397 -2.206 55 H GLY 8 HN GLY 8 -3.959 0.378 -5.237 56 1HA GLY 8 HA2 GLY 8 -2.740 -0.090 -7.858 57 2HA GLY 8 HA1 GLY 8 -2.221 1.035 -6.528 58 H PHE 9 HN PHE 9 -0.243 -0.684 -7.483 59 HA PHE 9 HA PHE 9 -0.309 -3.131 -5.947 60 1HB PHE 9 HB2 PHE 9 0.593 -2.704 -8.456 61 2HB PHE 9 HB1 PHE 9 2.066 -2.102 -7.629 62 HD1 PHE 9 HD1 PHE 9 -0.093 -5.008 -8.389 63 HD2 PHE 9 HD2 PHE 9 3.482 -3.729 -6.364 64 HE1 PHE 9 HE1 PHE 9 0.721 -7.342 -8.346 65 HE2 PHE 9 HE2 PHE 9 4.286 -6.064 -6.317 66 HZ PHE 9 HZ PHE 9 2.915 -7.876 -7.320 67 H CYS 10 HN CYS 10 1.138 -3.469 -4.082 68 HA CYS 10 HA CYS 10 2.727 -1.125 -3.323 69 1HB CYS 10 HB2 CYS 10 1.713 -1.151 -1.006 70 2HB CYS 10 HB1 CYS 10 0.561 -0.710 -2.278 71 H SER 11 HN SER 11 3.649 -1.767 -0.957 72 HA SER 11 HA SER 11 4.018 -4.368 -0.306 73 1HB SER 11 HB2 SER 11 6.672 -4.075 -0.234 74 2HB SER 11 HB1 SER 11 5.951 -4.639 -1.781 75 HG SER 11 HG SER 11 6.347 -2.805 -2.695 76 H LEU 12 HN LEU 12 6.143 -3.347 1.624 77 HA LEU 12 HA LEU 12 4.908 -0.849 2.475 78 1HB LEU 12 HB2 LEU 12 6.080 -3.081 4.286 79 2HB LEU 12 HB1 LEU 12 5.794 -1.380 4.775 80 HG LEU 12 HG LEU 12 3.288 -1.829 4.117 81 1HD1 LEU 12 HD11 LEU 12 4.243 -4.736 4.611 82 2HD1 LEU 12 HD12 LEU 12 3.521 -4.083 3.092 83 3HD1 LEU 12 HD13 LEU 12 2.533 -4.186 4.587 84 1HD2 LEU 12 HD21 LEU 12 4.637 -2.969 6.651 85 2HD2 LEU 12 HD22 LEU 12 2.870 -2.653 6.475 86 3HD2 LEU 12 HD23 LEU 12 4.030 -1.288 6.375 87 HA PRO 13 HA PRO 13 9.167 -0.542 1.205 88 1HB PRO 13 HB2 PRO 13 9.806 2.108 1.840 89 2HB PRO 13 HB1 PRO 13 8.621 1.654 0.556 90 1HG PRO 13 HG1 PRO 13 8.002 2.385 3.465 91 2HG PRO 13 HG2 PRO 13 7.265 3.090 1.963 92 1HD PRO 13 HD1 PRO 13 6.013 1.043 3.330 93 2HD PRO 13 HD2 PRO 13 6.059 1.049 1.508 94 H ILE 14 HN ILE 14 8.617 -1.593 3.969 95 HA ILE 14 HA ILE 14 9.629 -2.371 5.651 96 HB ILE 14 HB ILE 14 12.257 -1.383 4.497 97 1HG1 ILE 14 HG12 ILE 14 11.021 -2.698 2.794 98 2HG1 ILE 14 HG11 ILE 14 12.430 -3.587 3.423 99 1HG2 ILE 14 HG21 ILE 14 11.443 -3.479 6.618 100 2HG2 ILE 14 HG22 ILE 14 12.537 -2.062 6.816 101 3HG2 ILE 14 HG23 ILE 14 13.059 -3.469 5.811 102 1HD1 ILE 14 HD11 ILE 14 9.484 -4.090 4.248 103 2HD1 ILE 14 HD12 ILE 14 10.919 -4.990 4.876 104 3HD1 ILE 14 HD13 ILE 14 10.473 -5.097 3.137 105 H LEU 15 HN LEU 15 11.134 0.799 5.016 106 HA LEU 15 HA LEU 15 10.651 1.534 7.841 107 1HB LEU 15 HB2 LEU 15 11.964 3.199 5.592 108 2HB LEU 15 HB1 LEU 15 11.703 3.710 7.290 109 HG LEU 15 HG LEU 15 13.949 3.195 7.236 110 1HD1 LEU 15 HD11 LEU 15 12.712 1.961 9.119 111 2HD1 LEU 15 HD12 LEU 15 14.349 1.330 8.710 112 3HD1 LEU 15 HD13 LEU 15 12.884 0.450 8.141 113 1HD2 LEU 15 HD21 LEU 15 14.070 2.169 4.973 114 2HD2 LEU 15 HD22 LEU 15 13.500 0.594 5.644 115 3HD2 LEU 15 HD23 LEU 15 15.069 1.289 6.186 116 H LYS 16 HN LYS 16 8.474 1.853 8.003 117 HA LYS 16 HA LYS 16 6.933 2.156 5.696 118 1HB LYS 16 HB2 LYS 16 5.931 2.461 8.584 119 2HB LYS 16 HB1 LYS 16 4.956 2.216 7.099 120 1HG LYS 16 HG2 LYS 16 4.958 0.092 7.958 121 2HG LYS 16 HG1 LYS 16 6.320 -0.009 6.791 122 1HD LYS 16 HD2 LYS 16 7.919 0.310 8.753 123 2HD LYS 16 HD1 LYS 16 6.503 0.361 9.863 124 1HE LYS 16 HE2 LYS 16 5.929 -2.000 9.251 125 2HE LYS 16 HE1 LYS 16 7.278 -2.025 8.043 126 1HZ LYS 16 HZ1 LYS 16 8.028 -3.007 9.997 127 2HZ LYS 16 HZ2 LYS 16 7.515 -1.800 10.957 128 3HZ LYS 16 HZ3 LYS 16 8.755 -1.551 9.933 129 H ASN 17 HN ASN 17 7.160 4.026 4.585 130 HA ASN 17 HA ASN 17 6.445 6.504 5.974 131 1HB ASN 17 HB2 ASN 17 8.136 7.769 4.818 132 2HB ASN 17 HB1 ASN 17 8.970 6.408 5.628 133 1HD2 ASN 17 HD21 ASN 17 9.491 4.405 4.107 134 2HD2 ASN 17 HD22 ASN 17 9.927 4.810 2.478 135 H GLY 18 HN GLY 18 5.259 4.187 3.986 136 1HA GLY 18 HA2 GLY 18 3.639 5.983 2.617 137 2HA GLY 18 HA1 GLY 18 4.763 4.970 1.561 138 H LEU 19 HN LEU 19 1.772 4.432 2.040 139 HA LEU 19 HA LEU 19 1.772 1.800 2.885 140 1HB LEU 19 HB2 LEU 19 0.630 4.061 4.678 141 2HB LEU 19 HB1 LEU 19 -0.176 2.465 4.636 142 HG LEU 19 HG LEU 19 2.761 2.792 5.452 143 1HD1 LEU 19 HD11 LEU 19 0.286 2.713 7.285 144 2HD1 LEU 19 HD12 LEU 19 1.351 4.138 6.981 145 3HD1 LEU 19 HD13 LEU 19 2.016 2.681 7.807 146 1HD2 LEU 19 HD21 LEU 19 2.388 0.545 6.514 147 2HD2 LEU 19 HD22 LEU 19 2.163 0.490 4.730 148 3HD2 LEU 19 HD23 LEU 19 0.722 0.504 5.816 149 H CYS 20 HN CYS 20 -0.970 1.632 2.800 150 HA CYS 20 HA CYS 20 -1.563 2.961 0.292 151 1HB CYS 20 HB2 CYS 20 -3.172 0.948 1.966 152 2HB CYS 20 HB1 CYS 20 -3.629 1.533 0.342 153 H CYS 21 HN CYS 21 -3.478 4.361 0.060 154 HA CYS 21 HA CYS 21 -3.915 5.941 2.392 155 1HB CYS 21 HB2 CYS 21 -4.897 6.021 -0.473 156 2HB CYS 21 HB1 CYS 21 -5.965 6.766 0.741 157 H SER 22 HN SER 22 -5.649 3.238 0.925 158 HA SER 22 HA SER 22 -7.838 3.479 2.791 159 1HB SER 22 HB2 SER 22 -8.510 1.287 1.574 160 2HB SER 22 HB1 SER 22 -8.497 2.803 0.610 161 HG SER 22 HG SER 22 -6.866 0.563 0.514 162 H GLY 23 HN GLY 23 -4.720 2.734 3.407 163 1HA GLY 23 HA2 GLY 23 -4.073 1.892 5.348 164 2HA GLY 23 HA1 GLY 23 -5.607 0.966 5.526 165 H ALA 24 HN ALA 24 -5.809 -0.931 3.769 166 HA ALA 24 HA ALA 24 -3.528 -2.415 4.755 167 1HB ALA 24 HB1 ALA 24 -5.803 -3.392 5.063 168 2HB ALA 24 HB2 ALA 24 -4.749 -4.474 4.090 169 3HB ALA 24 HB3 ALA 24 -6.008 -3.468 3.273 170 H CYS 25 HN CYS 25 -2.042 -3.677 3.530 171 HA CYS 25 HA CYS 25 -2.063 -3.246 0.642 172 1HB CYS 25 HB2 CYS 25 -0.061 -2.010 1.655 173 2HB CYS 25 HB1 CYS 25 0.356 -3.479 2.577 174 H VAL 26 HN VAL 26 -2.269 -5.316 -0.295 175 HA VAL 26 HA VAL 26 -1.344 -7.596 1.266 176 HB VAL 26 HB VAL 26 -3.713 -7.266 1.865 177 1HG1 VAL 26 HG11 VAL 26 -4.336 -7.474 -1.156 178 2HG1 VAL 26 HG12 VAL 26 -4.471 -5.993 -0.142 179 3HG1 VAL 26 HG13 VAL 26 -5.523 -7.410 0.191 180 1HG2 VAL 26 HG21 VAL 26 -3.260 -9.711 0.043 181 2HG2 VAL 26 HG22 VAL 26 -4.532 -9.531 1.305 182 3HG2 VAL 26 HG23 VAL 26 -2.795 -9.553 1.781 183 H GLY 27 HN GLY 27 -0.014 -6.135 -0.682 184 1HA GLY 27 HA2 GLY 27 1.212 -6.809 -2.496 185 2HA GLY 27 HA1 GLY 27 -0.124 -7.920 -3.019 186 H VAL 28 HN VAL 28 -2.330 -6.564 -3.131 187 HA VAL 28 HA VAL 28 -1.817 -4.044 -4.560 188 HB VAL 28 HB VAL 28 -4.338 -4.151 -5.014 189 1HG1 VAL 28 HG11 VAL 28 -3.952 -5.699 -6.992 190 2HG1 VAL 28 HG12 VAL 28 -2.379 -6.198 -6.260 191 3HG1 VAL 28 HG13 VAL 28 -2.641 -4.484 -6.761 192 1HG2 VAL 28 HG21 VAL 28 -5.414 -6.370 -4.935 193 2HG2 VAL 28 HG22 VAL 28 -4.826 -5.982 -3.284 194 3HG2 VAL 28 HG23 VAL 28 -3.922 -7.154 -4.319 195 H CYS 29 HN CYS 29 -3.042 -2.197 -3.741 196 HA CYS 29 HA CYS 29 -3.254 -2.235 -0.848 197 1HB CYS 29 HB2 CYS 29 -3.970 -0.157 -2.985 198 2HB CYS 29 HB1 CYS 29 -4.325 0.117 -1.253 199 H ALA 30 HN ALA 30 -5.147 -2.398 0.335 200 HA ALA 30 HA ALA 30 -7.636 -2.663 -1.228 201 1HB ALA 30 HB1 ALA 30 -6.763 -5.005 -0.718 202 2HB ALA 30 HB2 ALA 30 -8.303 -4.645 0.123 203 3HB ALA 30 HB3 ALA 30 -6.738 -4.573 1.030 204 H ASP 31 HN ASP 31 -9.155 -3.217 1.177 205 HA ASP 31 HA ASP 31 -8.565 -1.001 2.899 206 1HB ASP 31 HB2 ASP 31 -11.029 -0.349 2.908 207 2HB ASP 31 HB1 ASP 31 -10.157 0.116 1.417 208 H LEU 32 HN LEU 32 -10.149 -1.412 4.843 209 HA LEU 32 HA LEU 32 -11.361 -3.872 5.080 210 1HB LEU 32 HB2 LEU 32 -8.943 -3.169 6.906 211 2HB LEU 32 HB1 LEU 32 -10.227 -4.333 7.369 212 HG LEU 32 HG LEU 32 -8.388 -4.686 4.931 213 1HD1 LEU 32 HD11 LEU 32 -8.117 -5.864 7.765 214 2HD1 LEU 32 HD12 LEU 32 -7.002 -4.706 6.944 215 3HD1 LEU 32 HD13 LEU 32 -7.173 -6.393 6.322 216 1HD2 LEU 32 HD21 LEU 32 -10.508 -5.949 4.692 217 2HD2 LEU 32 HD22 LEU 32 -10.296 -6.674 6.334 218 3HD2 LEU 32 HD23 LEU 32 -9.145 -7.076 5.008 219 1HN NH2 33 H1 NH2 33 -12.670 -1.626 7.765 220 2HN NH2 33 H2 NH2 33 -12.359 -3.317 7.547 Start of MODEL 9 1 1H ASP 1 HT1 ASP 1 7.037 13.191 -0.645 2 2H ASP 1 HT2 ASP 1 5.429 13.467 -0.812 3 3H ASP 1 HT3 ASP 1 6.210 12.566 -1.909 4 HA ASP 1 HA ASP 1 6.440 10.764 -0.480 5 1HB ASP 1 HB2 ASP 1 5.448 12.727 1.719 6 2HB ASP 1 HB1 ASP 1 5.607 10.946 1.949 7 H ASP 2 HN ASP 2 4.364 9.264 -0.088 8 HA ASP 2 HA ASP 2 1.948 10.566 -0.925 9 1HB ASP 2 HB2 ASP 2 3.468 8.450 -2.635 10 2HB ASP 2 HB1 ASP 2 1.768 8.973 -2.933 11 H CYS 3 HN CYS 3 0.299 8.715 -0.945 12 HA CYS 3 HA CYS 3 1.158 6.477 0.746 13 1HB CYS 3 HB2 CYS 3 -1.289 6.084 1.190 14 2HB CYS 3 HB1 CYS 3 -0.660 7.564 1.948 15 H ILE 4 HN ILE 4 -0.031 4.433 -0.117 16 HA ILE 4 HA ILE 4 0.381 4.510 -2.994 17 HB ILE 4 HB ILE 4 0.012 2.095 -1.185 18 1HG1 ILE 4 HG12 ILE 4 2.648 3.325 -2.199 19 2HG1 ILE 4 HG11 ILE 4 2.029 3.578 -0.541 20 1HG2 ILE 4 HG21 ILE 4 1.178 2.471 -4.045 21 2HG2 ILE 4 HG22 ILE 4 -0.403 1.693 -3.651 22 3HG2 ILE 4 HG23 ILE 4 1.122 0.928 -3.140 23 1HD1 ILE 4 HD11 ILE 4 3.679 1.814 -0.436 24 2HD1 ILE 4 HD12 ILE 4 2.904 0.891 -1.764 25 3HD1 ILE 4 HD13 ILE 4 2.069 1.059 -0.174 26 H LYS 5 HN LYS 5 -1.189 3.727 -4.439 27 HA LYS 5 HA LYS 5 -3.581 5.047 -3.957 28 1HB LYS 5 HB2 LYS 5 -2.232 4.905 -6.116 29 2HB LYS 5 HB1 LYS 5 -2.720 3.183 -6.263 30 1HG LYS 5 HG2 LYS 5 -5.157 3.986 -6.427 31 2HG LYS 5 HG1 LYS 5 -4.520 5.669 -6.478 32 1HD LYS 5 HD2 LYS 5 -3.971 3.365 -8.462 33 2HD LYS 5 HD1 LYS 5 -5.004 4.808 -8.740 34 1HE LYS 5 HE2 LYS 5 -2.984 6.303 -8.652 35 2HE LYS 5 HE1 LYS 5 -1.924 4.873 -8.322 36 1HZ LYS 5 HZ1 LYS 5 -2.579 3.986 -10.423 37 2HZ LYS 5 HZ2 LYS 5 -1.921 5.462 -10.598 38 3HZ LYS 5 HZ3 LYS 5 -3.526 5.270 -10.746 39 HA HYP 6 HA HYP 6 -5.930 1.429 -2.741 40 1HB HYP 6 HB1 HYP 6 -8.250 2.024 -2.433 41 2HB HYP 6 HB2 HYP 6 -8.308 2.864 -4.028 42 1HD HYP 6 HD1 HYP 6 -6.427 4.912 -4.321 43 2HD HYP 6 HD2 HYP 6 -5.415 5.129 -2.833 44 HOD HYP 6 HOD HYP 6 -6.887 2.877 -0.984 45 HG HYP 6 HG HYP 6 -8.106 4.760 -2.500 46 H TYR 7 HN TYR 7 -6.079 -0.517 -3.837 47 HA TYR 7 HA TYR 7 -5.914 -1.939 -5.365 48 1HB TYR 7 HB2 TYR 7 -7.799 -0.211 -7.051 49 2HB TYR 7 HB1 TYR 7 -7.313 -1.896 -7.463 50 HD1 TYR 7 HD1 TYR 7 -7.425 -3.466 -5.073 51 HD2 TYR 7 HD2 TYR 7 -10.017 -0.243 -6.276 52 HE1 TYR 7 HE1 TYR 7 -9.239 -4.440 -3.756 53 HE2 TYR 7 HE2 TYR 7 -11.854 -1.246 -4.971 54 HH TYR 7 HH TYR 7 -11.376 -4.101 -2.904 55 H GLY 8 HN GLY 8 -3.922 0.343 -5.328 56 1HA GLY 8 HA2 GLY 8 -2.790 -0.271 -7.980 57 2HA GLY 8 HA1 GLY 8 -2.220 0.936 -6.746 58 H PHE 9 HN PHE 9 -0.452 -1.051 -7.771 59 HA PHE 9 HA PHE 9 -0.255 -3.317 -6.125 60 1HB PHE 9 HB2 PHE 9 2.192 -1.868 -7.316 61 2HB PHE 9 HB1 PHE 9 1.952 -3.639 -7.088 62 HD1 PHE 9 HD1 PHE 9 1.899 -0.931 -9.398 63 HD2 PHE 9 HD2 PHE 9 -0.002 -4.693 -8.550 64 HE1 PHE 9 HE1 PHE 9 1.139 -1.068 -11.736 65 HE2 PHE 9 HE2 PHE 9 -0.776 -4.824 -10.898 66 HZ PHE 9 HZ PHE 9 -0.225 -3.000 -12.496 67 H CYS 10 HN CYS 10 1.282 -3.600 -4.160 68 HA CYS 10 HA CYS 10 2.457 -1.100 -3.319 69 1HB CYS 10 HB2 CYS 10 1.519 -1.057 -1.051 70 2HB CYS 10 HB1 CYS 10 0.246 -0.861 -2.286 71 H SER 11 HN SER 11 3.440 -1.697 -0.930 72 HA SER 11 HA SER 11 4.706 -4.101 -0.728 73 1HB SER 11 HB2 SER 11 7.062 -2.981 -1.245 74 2HB SER 11 HB1 SER 11 6.122 -3.486 -2.687 75 HG SER 11 HG SER 11 6.927 -0.999 -1.929 76 H LEU 12 HN LEU 12 6.718 -2.825 0.862 77 HA LEU 12 HA LEU 12 5.202 -0.812 2.373 78 1HB LEU 12 HB2 LEU 12 7.273 -2.795 3.479 79 2HB LEU 12 HB1 LEU 12 6.649 -1.355 4.336 80 HG LEU 12 HG LEU 12 5.532 -3.257 5.184 81 1HD1 LEU 12 HD11 LEU 12 4.132 -1.187 4.853 82 2HD1 LEU 12 HD12 LEU 12 3.166 -2.709 4.891 83 3HD1 LEU 12 HD13 LEU 12 3.484 -1.892 3.323 84 1HD2 LEU 12 HD21 LEU 12 4.491 -4.087 2.406 85 2HD2 LEU 12 HD22 LEU 12 4.212 -4.903 3.977 86 3HD2 LEU 12 HD23 LEU 12 5.872 -4.870 3.276 87 HA PRO 13 HA PRO 13 9.270 1.183 1.441 88 1HB PRO 13 HB2 PRO 13 11.222 -0.068 -0.143 89 2HB PRO 13 HB1 PRO 13 11.223 -0.069 1.657 90 1HG PRO 13 HG1 PRO 13 10.147 -2.238 -0.222 91 2HG PRO 13 HG2 PRO 13 11.222 -2.440 1.226 92 1HD PRO 13 HD1 PRO 13 8.507 -2.848 1.410 93 2HD PRO 13 HD2 PRO 13 9.400 -1.996 2.746 94 H ILE 14 HN ILE 14 9.436 2.565 -0.368 95 HA ILE 14 HA ILE 14 8.924 1.575 -2.989 96 HB ILE 14 HB ILE 14 7.492 3.809 -3.372 97 1HG1 ILE 14 HG12 ILE 14 6.332 2.890 -0.665 98 2HG1 ILE 14 HG11 ILE 14 7.488 4.247 -0.725 99 1HG2 ILE 14 HG21 ILE 14 6.918 1.483 -4.051 100 2HG2 ILE 14 HG22 ILE 14 5.474 2.364 -3.433 101 3HG2 ILE 14 HG23 ILE 14 6.290 1.149 -2.394 102 1HD1 ILE 14 HD11 ILE 14 5.228 5.179 -0.764 103 2HD1 ILE 14 HD12 ILE 14 4.751 4.126 -2.146 104 3HD1 ILE 14 HD13 ILE 14 5.959 5.444 -2.383 105 H LEU 15 HN LEU 15 8.770 4.931 -1.840 106 HA LEU 15 HA LEU 15 11.399 5.440 -2.939 107 1HB LEU 15 HB2 LEU 15 9.447 7.282 -1.403 108 2HB LEU 15 HB1 LEU 15 10.953 7.809 -2.226 109 HG LEU 15 HG LEU 15 8.538 6.505 -3.630 110 1HD1 LEU 15 HD11 LEU 15 7.887 8.746 -4.377 111 2HD1 LEU 15 HD12 LEU 15 9.288 9.492 -3.515 112 3HD1 LEU 15 HD13 LEU 15 7.955 8.712 -2.575 113 1HD2 LEU 15 HD21 LEU 15 10.626 6.180 -4.922 114 2HD2 LEU 15 HD22 LEU 15 11.031 7.929 -4.772 115 3HD2 LEU 15 HD23 LEU 15 9.597 7.413 -5.732 116 H LYS 16 HN LYS 16 9.682 5.838 0.206 117 HA LYS 16 HA LYS 16 12.239 5.319 1.559 118 1HB LYS 16 HB2 LYS 16 9.995 7.138 2.649 119 2HB LYS 16 HB1 LYS 16 11.573 6.765 3.408 120 1HG LYS 16 HG2 LYS 16 11.082 8.332 0.800 121 2HG LYS 16 HG1 LYS 16 11.475 9.048 2.395 122 1HD LYS 16 HD2 LYS 16 13.730 7.945 2.352 123 2HD LYS 16 HD1 LYS 16 13.348 7.189 0.770 124 1HE LYS 16 HE2 LYS 16 13.573 10.231 1.295 125 2HE LYS 16 HE1 LYS 16 14.778 9.182 0.450 126 1HZ LYS 16 HZ1 LYS 16 13.127 8.767 -1.215 127 2HZ LYS 16 HZ2 LYS 16 13.388 10.368 -1.061 128 3HZ LYS 16 HZ3 LYS 16 12.032 9.704 -0.453 129 H ASN 17 HN ASN 17 8.649 5.528 2.210 130 HA ASN 17 HA ASN 17 8.381 2.761 2.485 131 1HB ASN 17 HB2 ASN 17 8.612 4.508 4.983 132 2HB ASN 17 HB1 ASN 17 7.043 3.645 4.854 133 1HD2 ASN 17 HD21 ASN 17 10.302 2.442 3.759 134 2HD2 ASN 17 HD22 ASN 17 10.316 1.087 4.854 135 H GLY 18 HN GLY 18 5.730 2.760 3.003 136 1HA GLY 18 HA2 GLY 18 4.450 5.139 2.425 137 2HA GLY 18 HA1 GLY 18 4.512 3.958 1.009 138 H LEU 19 HN LEU 19 1.970 4.000 2.020 139 HA LEU 19 HA LEU 19 1.739 1.418 2.923 140 1HB LEU 19 HB2 LEU 19 2.023 2.863 5.179 141 2HB LEU 19 HB1 LEU 19 0.454 3.583 4.726 142 HG LEU 19 HG LEU 19 -0.521 1.187 4.770 143 1HD1 LEU 19 HD11 LEU 19 0.808 -0.539 6.067 144 2HD1 LEU 19 HD12 LEU 19 2.262 0.525 5.948 145 3HD1 LEU 19 HD13 LEU 19 1.516 -0.170 4.457 146 1HD2 LEU 19 HD21 LEU 19 -0.668 1.075 7.228 147 2HD2 LEU 19 HD22 LEU 19 -0.848 2.763 6.633 148 3HD2 LEU 19 HD23 LEU 19 0.704 2.239 7.389 149 H CYS 20 HN CYS 20 -1.023 1.524 2.983 150 HA CYS 20 HA CYS 20 -1.464 2.775 0.398 151 1HB CYS 20 HB2 CYS 20 -3.057 0.776 2.084 152 2HB CYS 20 HB1 CYS 20 -3.651 1.436 0.531 153 H CYS 21 HN CYS 21 -3.304 4.121 -0.027 154 HA CYS 21 HA CYS 21 -3.707 5.970 2.065 155 1HB CYS 21 HB2 CYS 21 -5.441 5.749 -0.453 156 2HB CYS 21 HB1 CYS 21 -5.221 7.183 0.592 157 H SER 22 HN SER 22 -5.651 3.190 0.896 158 HA SER 22 HA SER 22 -7.832 3.785 2.656 159 1HB SER 22 HB2 SER 22 -8.541 1.422 1.724 160 2HB SER 22 HB1 SER 22 -8.519 2.820 0.602 161 HG SER 22 HG SER 22 -6.987 0.544 0.644 162 H GLY 23 HN GLY 23 -4.732 2.619 3.152 163 1HA GLY 23 HA2 GLY 23 -4.117 2.123 5.272 164 2HA GLY 23 HA1 GLY 23 -5.640 1.200 5.556 165 H ALA 24 HN ALA 24 -5.852 -0.698 3.753 166 HA ALA 24 HA ALA 24 -3.716 -2.307 4.853 167 1HB ALA 24 HB1 ALA 24 -6.077 -3.106 5.084 168 2HB ALA 24 HB2 ALA 24 -5.079 -4.279 4.151 169 3HB ALA 24 HB3 ALA 24 -6.222 -3.174 3.290 170 H CYS 25 HN CYS 25 -2.333 -3.777 3.621 171 HA CYS 25 HA CYS 25 -2.163 -3.222 0.775 172 1HB CYS 25 HB2 CYS 25 -0.384 -1.793 1.905 173 2HB CYS 25 HB1 CYS 25 0.121 -3.192 2.880 174 H VAL 26 HN VAL 26 -2.016 -5.234 -0.196 175 HA VAL 26 HA VAL 26 -0.684 -7.342 1.254 176 HB VAL 26 HB VAL 26 -2.982 -8.004 1.507 177 1HG1 VAL 26 HG11 VAL 26 -3.577 -8.371 -1.437 178 2HG1 VAL 26 HG12 VAL 26 -3.713 -6.695 -0.779 179 3HG1 VAL 26 HG13 VAL 26 -4.652 -8.032 -0.041 180 1HG2 VAL 26 HG21 VAL 26 -1.241 -9.733 1.166 181 2HG2 VAL 26 HG22 VAL 26 -1.557 -9.758 -0.603 182 3HG2 VAL 26 HG23 VAL 26 -2.840 -10.271 0.539 183 H GLY 27 HN GLY 27 -1.515 -8.321 -1.967 184 1HA GLY 27 HA2 GLY 27 1.042 -7.283 -2.801 185 2HA GLY 27 HA1 GLY 27 -0.154 -8.206 -3.781 186 H VAL 28 HN VAL 28 -1.830 -5.770 -2.400 187 HA VAL 28 HA VAL 28 -1.501 -3.776 -4.348 188 HB VAL 28 HB VAL 28 -3.954 -3.912 -5.097 189 1HG1 VAL 28 HG11 VAL 28 -3.489 -5.425 -7.003 190 2HG1 VAL 28 HG12 VAL 28 -2.098 -6.163 -6.122 191 3HG1 VAL 28 HG13 VAL 28 -2.034 -4.430 -6.623 192 1HG2 VAL 28 HG21 VAL 28 -4.636 -5.668 -3.336 193 2HG2 VAL 28 HG22 VAL 28 -3.699 -6.897 -4.268 194 3HG2 VAL 28 HG23 VAL 28 -5.120 -6.080 -5.017 195 H CYS 29 HN CYS 29 -3.033 -2.044 -3.616 196 HA CYS 29 HA CYS 29 -3.303 -2.152 -0.754 197 1HB CYS 29 HB2 CYS 29 -4.249 -0.098 -2.827 198 2HB CYS 29 HB1 CYS 29 -4.490 0.113 -1.063 199 H ALA 30 HN ALA 30 -5.159 -2.350 0.462 200 HA ALA 30 HA ALA 30 -7.630 -3.001 -1.011 201 1HB ALA 30 HB1 ALA 30 -6.492 -4.545 1.413 202 2HB ALA 30 HB2 ALA 30 -6.481 -5.161 -0.278 203 3HB ALA 30 HB3 ALA 30 -8.045 -4.903 0.563 204 H ASP 31 HN ASP 31 -9.131 -3.525 1.452 205 HA ASP 31 HA ASP 31 -8.873 -1.315 3.122 206 1HB ASP 31 HB2 ASP 31 -11.108 -0.293 2.532 207 2HB ASP 31 HB1 ASP 31 -9.936 -0.046 1.208 208 H LEU 32 HN LEU 32 -11.218 -1.614 4.407 209 HA LEU 32 HA LEU 32 -12.466 -4.079 4.128 210 1HB LEU 32 HB2 LEU 32 -10.964 -3.272 6.724 211 2HB LEU 32 HB1 LEU 32 -12.382 -4.370 6.755 212 HG LEU 32 HG LEU 32 -9.903 -5.052 5.104 213 1HD1 LEU 32 HD11 LEU 32 -10.307 -5.647 8.106 214 2HD1 LEU 32 HD12 LEU 32 -9.044 -4.593 7.365 215 3HD1 LEU 32 HD13 LEU 32 -9.025 -6.365 7.055 216 1HD2 LEU 32 HD21 LEU 32 -11.992 -6.416 4.723 217 2HD2 LEU 32 HD22 LEU 32 -12.014 -6.852 6.476 218 3HD2 LEU 32 HD23 LEU 32 -10.652 -7.393 5.427 219 1HN NH2 33 H1 NH2 33 -14.716 -1.767 6.040 220 2HN NH2 33 H2 NH2 33 -14.366 -3.463 5.939 Start of MODEL 10 1 1H ASP 1 HT1 ASP 1 6.475 9.135 2.850 2 2H ASP 1 HT2 ASP 1 7.968 8.542 2.533 3 3H ASP 1 HT3 ASP 1 6.682 7.546 2.547 4 HA ASP 1 HA ASP 1 7.399 9.621 0.641 5 1HB ASP 1 HB2 ASP 1 6.828 7.942 -1.153 6 2HB ASP 1 HB1 ASP 1 8.184 7.468 -0.092 7 H ASP 2 HN ASP 2 4.841 8.465 -0.897 8 HA ASP 2 HA ASP 2 3.082 10.445 0.313 9 1HB ASP 2 HB2 ASP 2 2.841 8.809 -2.303 10 2HB ASP 2 HB1 ASP 2 1.723 10.134 -1.787 11 H CYS 3 HN CYS 3 0.978 8.379 -1.185 12 HA CYS 3 HA CYS 3 1.153 6.267 0.771 13 1HB CYS 3 HB2 CYS 3 -1.233 5.953 0.948 14 2HB CYS 3 HB1 CYS 3 -0.862 7.594 1.536 15 H ILE 4 HN ILE 4 0.006 4.354 -0.403 16 HA ILE 4 HA ILE 4 0.511 4.648 -3.290 17 HB ILE 4 HB ILE 4 0.377 2.122 -1.597 18 1HG1 ILE 4 HG12 ILE 4 2.671 3.785 -2.820 19 2HG1 ILE 4 HG11 ILE 4 2.389 3.434 -1.083 20 1HG2 ILE 4 HG21 ILE 4 1.015 2.567 -4.597 21 2HG2 ILE 4 HG22 ILE 4 -0.445 1.727 -3.937 22 3HG2 ILE 4 HG23 ILE 4 1.168 1.019 -3.704 23 1HD1 ILE 4 HD11 ILE 4 4.263 2.094 -1.905 24 2HD1 ILE 4 HD12 ILE 4 3.268 1.385 -3.221 25 3HD1 ILE 4 HD13 ILE 4 2.894 1.000 -1.494 26 H LYS 5 HN LYS 5 -1.199 3.586 -4.659 27 HA LYS 5 HA LYS 5 -3.452 5.143 -3.986 28 1HB LYS 5 HB2 LYS 5 -2.292 4.947 -6.313 29 2HB LYS 5 HB1 LYS 5 -3.092 3.348 -6.464 30 1HG LYS 5 HG2 LYS 5 -5.354 4.613 -6.180 31 2HG LYS 5 HG1 LYS 5 -4.393 6.124 -6.187 32 1HD LYS 5 HD2 LYS 5 -4.679 6.142 -8.424 33 2HD LYS 5 HD1 LYS 5 -3.475 4.817 -8.511 34 1HE LYS 5 HE2 LYS 5 -6.562 4.509 -8.342 35 2HE LYS 5 HE1 LYS 5 -5.537 4.270 -9.813 36 1HZ LYS 5 HZ1 LYS 5 -6.088 2.224 -8.786 37 2HZ LYS 5 HZ2 LYS 5 -5.453 2.652 -7.356 38 3HZ LYS 5 HZ3 LYS 5 -4.485 2.448 -8.651 39 HA HYP 6 HA HYP 6 -5.818 1.586 -2.729 40 1HB HYP 6 HB1 HYP 6 -8.119 2.242 -2.319 41 2HB HYP 6 HB2 HYP 6 -8.195 3.165 -3.869 42 1HD HYP 6 HD1 HYP 6 -6.305 5.134 -4.163 43 2HD HYP 6 HD2 HYP 6 -5.169 5.241 -2.754 44 HOD HYP 6 HOD HYP 6 -6.673 2.975 -0.886 45 HG HYP 6 HG HYP 6 -7.827 4.967 -2.221 46 H TYR 7 HN TYR 7 -6.085 -0.374 -3.832 47 HA TYR 7 HA TYR 7 -6.045 -1.759 -5.403 48 1HB TYR 7 HB2 TYR 7 -8.201 -0.022 -6.708 49 2HB TYR 7 HB1 TYR 7 -7.710 -1.648 -7.330 50 HD1 TYR 7 HD1 TYR 7 -9.378 0.146 -4.545 51 HD2 TYR 7 HD2 TYR 7 -8.040 -3.682 -5.964 52 HE1 TYR 7 HE1 TYR 7 -10.695 -0.953 -2.781 53 HE2 TYR 7 HE2 TYR 7 -9.387 -4.798 -4.226 54 HH TYR 7 HH TYR 7 -11.129 -2.929 -1.719 55 H GLY 8 HN GLY 8 -3.950 -0.043 -5.343 56 1HA GLY 8 HA2 GLY 8 -3.021 -0.538 -8.066 57 2HA GLY 8 HA1 GLY 8 -2.442 0.845 -7.014 58 H PHE 9 HN PHE 9 -0.440 -0.997 -7.621 59 HA PHE 9 HA PHE 9 -0.517 -3.124 -5.653 60 1HB PHE 9 HB2 PHE 9 1.659 -2.408 -7.729 61 2HB PHE 9 HB1 PHE 9 1.665 -3.857 -6.650 62 HD1 PHE 9 HD1 PHE 9 -0.360 -5.447 -6.772 63 HD2 PHE 9 HD2 PHE 9 0.547 -2.544 -9.815 64 HE1 PHE 9 HE1 PHE 9 -1.724 -6.717 -8.393 65 HE2 PHE 9 HE2 PHE 9 -0.823 -3.819 -11.437 66 HZ PHE 9 HZ PHE 9 -1.964 -5.907 -10.723 67 H CYS 10 HN CYS 10 1.049 -3.360 -3.989 68 HA CYS 10 HA CYS 10 2.682 -1.010 -3.409 69 1HB CYS 10 HB2 CYS 10 1.925 -1.126 -0.981 70 2HB CYS 10 HB1 CYS 10 0.637 -0.626 -2.098 71 H SER 11 HN SER 11 3.744 -2.023 -0.947 72 HA SER 11 HA SER 11 4.350 -4.665 -1.008 73 1HB SER 11 HB2 SER 11 6.864 -4.400 -1.530 74 2HB SER 11 HB1 SER 11 5.825 -4.217 -2.987 75 HG SER 11 HG SER 11 7.301 -2.581 -2.946 76 H LEU 12 HN LEU 12 6.758 -4.147 0.551 77 HA LEU 12 HA LEU 12 5.933 -2.093 2.444 78 1HB LEU 12 HB2 LEU 12 5.695 -4.453 3.352 79 2HB LEU 12 HB1 LEU 12 7.407 -4.762 2.954 80 HG LEU 12 HG LEU 12 6.912 -4.362 5.361 81 1HD1 LEU 12 HD11 LEU 12 8.834 -2.991 5.908 82 2HD1 LEU 12 HD12 LEU 12 8.814 -2.197 4.299 83 3HD1 LEU 12 HD13 LEU 12 9.210 -3.955 4.437 84 1HD2 LEU 12 HD21 LEU 12 6.420 -2.130 6.269 85 2HD2 LEU 12 HD22 LEU 12 5.110 -2.645 5.140 86 3HD2 LEU 12 HD23 LEU 12 6.327 -1.422 4.620 87 HA PRO 13 HA PRO 13 9.664 -1.221 0.112 88 1HB PRO 13 HB2 PRO 13 9.798 1.307 1.838 89 2HB PRO 13 HB1 PRO 13 10.000 1.154 0.048 90 1HG PRO 13 HG1 PRO 13 7.610 2.038 1.075 91 2HG PRO 13 HG2 PRO 13 7.628 0.813 -0.265 92 1HD PRO 13 HD1 PRO 13 7.242 0.297 2.743 93 2HD PRO 13 HD2 PRO 13 6.335 -0.364 1.306 94 H ILE 14 HN ILE 14 10.029 -0.159 3.572 95 HA ILE 14 HA ILE 14 12.306 -1.850 3.857 96 HB ILE 14 HB ILE 14 13.598 -0.134 2.882 97 1HG1 ILE 14 HG12 ILE 14 15.000 0.765 4.721 98 2HG1 ILE 14 HG11 ILE 14 13.771 0.293 5.934 99 1HG2 ILE 14 HG21 ILE 14 11.897 1.705 2.883 100 2HG2 ILE 14 HG22 ILE 14 13.507 2.255 3.448 101 3HG2 ILE 14 HG23 ILE 14 12.201 1.975 4.644 102 1HD1 ILE 14 HD11 ILE 14 14.128 -2.133 5.364 103 2HD1 ILE 14 HD12 ILE 14 15.674 -1.331 5.804 104 3HD1 ILE 14 HD13 ILE 14 15.296 -1.656 4.071 105 H LEU 15 HN LEU 15 10.363 0.955 5.091 106 HA LEU 15 HA LEU 15 9.743 -0.763 7.394 107 1HB LEU 15 HB2 LEU 15 9.938 2.324 7.389 108 2HB LEU 15 HB1 LEU 15 9.451 1.303 8.789 109 HG LEU 15 HG LEU 15 12.231 1.376 7.485 110 1HD1 LEU 15 HD11 LEU 15 12.928 2.579 9.552 111 2HD1 LEU 15 HD12 LEU 15 11.225 2.561 10.150 112 3HD1 LEU 15 HD13 LEU 15 11.646 3.485 8.661 113 1HD2 LEU 15 HD21 LEU 15 11.272 -0.101 10.028 114 2HD2 LEU 15 HD22 LEU 15 12.984 0.073 9.490 115 3HD2 LEU 15 HD23 LEU 15 11.826 -0.862 8.489 116 H LYS 16 HN LYS 16 7.649 0.966 8.202 117 HA LYS 16 HA LYS 16 5.802 0.850 5.957 118 1HB LYS 16 HB2 LYS 16 5.362 1.751 8.868 119 2HB LYS 16 HB1 LYS 16 4.093 1.503 7.624 120 1HG LYS 16 HG2 LYS 16 4.736 -0.935 7.489 121 2HG LYS 16 HG1 LYS 16 5.928 -0.698 8.816 122 1HD LYS 16 HD2 LYS 16 2.888 -0.226 9.032 123 2HD LYS 16 HD1 LYS 16 3.768 -1.701 9.574 124 1HE LYS 16 HE2 LYS 16 5.086 -0.345 11.229 125 2HE LYS 16 HE1 LYS 16 4.203 1.149 10.715 126 1HZ LYS 16 HZ1 LYS 16 2.977 -1.239 11.913 127 2HZ LYS 16 HZ2 LYS 16 2.184 0.104 11.443 128 3HZ LYS 16 HZ3 LYS 16 3.271 0.181 12.652 129 H ASN 17 HN ASN 17 7.477 2.431 4.994 130 HA ASN 17 HA ASN 17 7.206 5.158 6.026 131 1HB ASN 17 HB2 ASN 17 9.124 5.694 4.451 132 2HB ASN 17 HB1 ASN 17 9.505 4.510 5.740 133 1HD2 ASN 17 HD22 ASN 17 8.909 4.841 2.199 134 2HD2 ASN 17 HD21 ASN 17 9.606 3.313 1.780 135 H GLY 18 HN GLY 18 5.206 3.409 4.229 136 1HA GLY 18 HA2 GLY 18 4.059 5.572 2.982 137 2HA GLY 18 HA1 GLY 18 4.800 4.363 1.802 138 H LEU 19 HN LEU 19 1.807 4.291 2.192 139 HA LEU 19 HA LEU 19 1.627 1.671 2.958 140 1HB LEU 19 HB2 LEU 19 1.584 2.732 5.335 141 2HB LEU 19 HB1 LEU 19 0.177 3.708 4.809 142 HG LEU 19 HG LEU 19 -1.214 1.693 4.624 143 1HD1 LEU 19 HD11 LEU 19 1.260 0.006 5.382 144 2HD1 LEU 19 HD12 LEU 19 0.445 0.013 3.771 145 3HD1 LEU 19 HD13 LEU 19 -0.440 -0.582 5.215 146 1HD2 LEU 19 HD21 LEU 19 -1.054 2.726 6.844 147 2HD2 LEU 19 HD22 LEU 19 0.354 1.680 7.270 148 3HD2 LEU 19 HD23 LEU 19 -1.268 0.938 6.969 149 H CYS 20 HN CYS 20 -1.066 1.579 2.780 150 HA CYS 20 HA CYS 20 -1.602 3.008 0.303 151 1HB CYS 20 HB2 CYS 20 -3.193 0.890 1.885 152 2HB CYS 20 HB1 CYS 20 -3.648 1.522 0.272 153 H CYS 21 HN CYS 21 -3.438 4.450 0.105 154 HA CYS 21 HA CYS 21 -3.920 5.898 2.489 155 1HB CYS 21 HB2 CYS 21 -4.912 6.118 -0.376 156 2HB CYS 21 HB1 CYS 21 -5.868 6.913 0.904 157 H SER 22 HN SER 22 -5.705 3.284 0.871 158 HA SER 22 HA SER 22 -7.891 3.485 2.729 159 1HB SER 22 HB2 SER 22 -8.619 1.360 1.424 160 2HB SER 22 HB1 SER 22 -8.521 2.906 0.501 161 HG SER 22 HG SER 22 -6.959 0.615 0.391 162 H GLY 23 HN GLY 23 -4.784 2.622 3.340 163 1HA GLY 23 HA2 GLY 23 -4.262 1.849 5.340 164 2HA GLY 23 HA1 GLY 23 -5.823 0.966 5.480 165 H ALA 24 HN ALA 24 -5.925 -0.899 3.564 166 HA ALA 24 HA ALA 24 -3.830 -2.558 4.721 167 1HB ALA 24 HB1 ALA 24 -5.069 -4.509 3.845 168 2HB ALA 24 HB2 ALA 24 -6.165 -3.423 2.918 169 3HB ALA 24 HB3 ALA 24 -6.197 -3.407 4.716 170 H CYS 25 HN CYS 25 -2.250 -3.811 3.527 171 HA CYS 25 HA CYS 25 -2.096 -3.330 0.669 172 1HB CYS 25 HB2 CYS 25 -0.349 -1.787 1.708 173 2HB CYS 25 HB1 CYS 25 0.173 -3.108 2.780 174 H VAL 26 HN VAL 26 -2.055 -5.443 -0.147 175 HA VAL 26 HA VAL 26 -0.466 -7.381 1.244 176 HB VAL 26 HB VAL 26 -2.459 -7.787 2.482 177 1HG1 VAL 26 HG11 VAL 26 -4.649 -8.344 1.464 178 2HG1 VAL 26 HG12 VAL 26 -4.018 -7.962 -0.176 179 3HG1 VAL 26 HG13 VAL 26 -4.143 -6.664 1.076 180 1HG2 VAL 26 HG21 VAL 26 -1.123 -9.764 1.764 181 2HG2 VAL 26 HG22 VAL 26 -2.178 -9.966 0.315 182 3HG2 VAL 26 HG23 VAL 26 -2.868 -10.157 1.964 183 H GLY 27 HN GLY 27 0.475 -6.211 -0.724 184 1HA GLY 27 HA2 GLY 27 1.354 -6.745 -2.729 185 2HA GLY 27 HA1 GLY 27 -0.024 -7.869 -3.080 186 H VAL 28 HN VAL 28 -2.234 -6.588 -2.896 187 HA VAL 28 HA VAL 28 -2.004 -4.123 -4.484 188 HB VAL 28 HB VAL 28 -4.525 -4.244 -4.585 189 1HG1 VAL 28 HG11 VAL 28 -3.072 -4.874 -6.477 190 2HG1 VAL 28 HG12 VAL 28 -4.492 -5.979 -6.393 191 3HG1 VAL 28 HG13 VAL 28 -2.876 -6.546 -5.824 192 1HG2 VAL 28 HG21 VAL 28 -4.963 -5.754 -2.645 193 2HG2 VAL 28 HG22 VAL 28 -4.053 -7.099 -3.440 194 3HG2 VAL 28 HG23 VAL 28 -5.577 -6.485 -4.165 195 H CYS 29 HN CYS 29 -3.010 -2.232 -3.665 196 HA CYS 29 HA CYS 29 -3.251 -2.054 -0.779 197 1HB CYS 29 HB2 CYS 29 -3.872 -0.149 -3.116 198 2HB CYS 29 HB1 CYS 29 -4.289 0.267 -1.426 199 H ALA 30 HN ALA 30 -5.114 -2.471 0.286 200 HA ALA 30 HA ALA 30 -7.599 -2.592 -1.307 201 1HB ALA 30 HB1 ALA 30 -6.773 -4.960 -0.911 202 2HB ALA 30 HB2 ALA 30 -8.335 -4.612 -0.108 203 3HB ALA 30 HB3 ALA 30 -6.801 -4.645 0.860 204 H ASP 31 HN ASP 31 -8.735 -3.507 1.455 205 HA ASP 31 HA ASP 31 -8.382 -1.285 3.119 206 1HB ASP 31 HB2 ASP 31 -10.955 -0.949 3.240 207 2HB ASP 31 HB1 ASP 31 -10.197 -0.226 1.785 208 H LEU 32 HN LEU 32 -9.793 -2.254 5.151 209 HA LEU 32 HA LEU 32 -9.630 -5.172 4.861 210 1HB LEU 32 HB2 LEU 32 -7.767 -3.736 6.343 211 2HB LEU 32 HB1 LEU 32 -9.073 -3.893 7.550 212 HG LEU 32 HG LEU 32 -9.056 -6.428 7.054 213 1HD1 LEU 32 HD11 LEU 32 -7.889 -6.435 4.845 214 2HD1 LEU 32 HD12 LEU 32 -6.945 -7.372 6.052 215 3HD1 LEU 32 HD13 LEU 32 -6.422 -5.709 5.599 216 1HD2 LEU 32 HD21 LEU 32 -8.010 -5.453 9.098 217 2HD2 LEU 32 HD22 LEU 32 -6.461 -5.212 8.204 218 3HD2 LEU 32 HD23 LEU 32 -7.091 -6.878 8.492 219 1HN NH2 33 H1 NH2 33 -12.955 -4.984 6.037 220 2HN NH2 33 H2 NH2 33 -11.775 -5.834 5.099 Start of MODEL 11 1 1H ASP 1 HT1 ASP 1 3.788 14.319 -0.169 2 2H ASP 1 HT2 ASP 1 5.329 13.819 -0.030 3 3H ASP 1 HT3 ASP 1 4.668 14.738 1.153 4 HA ASP 1 HA ASP 1 4.796 12.133 1.373 5 1HB ASP 1 HB2 ASP 1 2.244 13.784 2.065 6 2HB ASP 1 HB1 ASP 1 2.632 12.166 2.761 7 H ASP 2 HN ASP 2 2.990 10.275 0.902 8 HA ASP 2 HA ASP 2 1.135 10.815 -1.097 9 1HB ASP 2 HB2 ASP 2 3.657 9.076 -1.680 10 2HB ASP 2 HB1 ASP 2 2.120 8.914 -2.603 11 H CYS 3 HN CYS 3 0.417 8.208 -1.416 12 HA CYS 3 HA CYS 3 1.289 6.518 0.613 13 1HB CYS 3 HB2 CYS 3 -1.184 5.834 1.131 14 2HB CYS 3 HB1 CYS 3 -0.536 7.228 2.027 15 H ILE 4 HN ILE 4 0.203 4.346 -0.284 16 HA ILE 4 HA ILE 4 0.386 4.655 -3.172 17 HB ILE 4 HB ILE 4 0.278 2.091 -1.542 18 1HG1 ILE 4 HG12 ILE 4 2.664 3.729 -2.623 19 2HG1 ILE 4 HG11 ILE 4 2.243 3.490 -0.895 20 1HG2 ILE 4 HG21 ILE 4 1.187 1.089 -3.672 21 2HG2 ILE 4 HG22 ILE 4 1.102 2.695 -4.475 22 3HG2 ILE 4 HG23 ILE 4 -0.404 1.843 -3.964 23 1HD1 ILE 4 HD11 ILE 4 2.684 1.011 -1.141 24 2HD1 ILE 4 HD12 ILE 4 4.123 2.039 -1.501 25 3HD1 ILE 4 HD13 ILE 4 3.198 1.299 -2.847 26 H LYS 5 HN LYS 5 -1.340 3.953 -4.579 27 HA LYS 5 HA LYS 5 -3.649 5.100 -3.368 28 1HB LYS 5 HB2 LYS 5 -2.552 5.848 -5.568 29 2HB LYS 5 HB1 LYS 5 -3.277 4.386 -6.339 30 1HG LYS 5 HG2 LYS 5 -5.548 5.262 -5.825 31 2HG LYS 5 HG1 LYS 5 -4.841 6.597 -4.843 32 1HD LYS 5 HD2 LYS 5 -3.752 7.503 -6.945 33 2HD LYS 5 HD1 LYS 5 -4.587 6.206 -7.881 34 1HE LYS 5 HE2 LYS 5 -6.823 7.114 -7.087 35 2HE LYS 5 HE1 LYS 5 -5.963 8.436 -6.212 36 1HZ LYS 5 HZ1 LYS 5 -5.102 9.152 -8.324 37 2HZ LYS 5 HZ2 LYS 5 -6.728 9.109 -8.357 38 3HZ LYS 5 HZ3 LYS 5 -5.870 7.952 -9.107 39 HA HYP 6 HA HYP 6 -5.687 1.354 -2.884 40 1HB HYP 6 HB1 HYP 6 -8.001 1.653 -2.345 41 2HB HYP 6 HB2 HYP 6 -8.291 2.634 -3.834 42 1HD HYP 6 HD1 HYP 6 -6.757 4.820 -4.105 43 2HD HYP 6 HD2 HYP 6 -5.610 5.118 -2.734 44 HOD HYP 6 HOD HYP 6 -6.870 2.665 -0.728 45 HG HYP 6 HG HYP 6 -8.128 4.384 -2.088 46 H TYR 7 HN TYR 7 -6.085 -0.586 -4.022 47 HA TYR 7 HA TYR 7 -5.777 -1.886 -5.599 48 1HB TYR 7 HB2 TYR 7 -8.092 -0.349 -6.846 49 2HB TYR 7 HB1 TYR 7 -7.353 -1.778 -7.682 50 HD1 TYR 7 HD1 TYR 7 -9.300 -0.740 -4.685 51 HD2 TYR 7 HD2 TYR 7 -7.251 -3.974 -6.637 52 HE1 TYR 7 HE1 TYR 7 -10.194 -2.312 -3.016 53 HE2 TYR 7 HE2 TYR 7 -8.152 -5.557 -4.978 54 HH TYR 7 HH TYR 7 -10.129 -4.454 -2.215 55 H GLY 8 HN GLY 8 -3.929 0.278 -5.497 56 1HA GLY 8 HA2 GLY 8 -2.748 -0.296 -8.134 57 2HA GLY 8 HA1 GLY 8 -2.220 0.955 -6.916 58 H PHE 9 HN PHE 9 -0.317 -1.029 -7.678 59 HA PHE 9 HA PHE 9 -0.520 -3.150 -5.698 60 1HB PHE 9 HB2 PHE 9 1.492 -2.593 -7.954 61 2HB PHE 9 HB1 PHE 9 1.840 -3.770 -6.633 62 HD1 PHE 9 HD1 PHE 9 -0.935 -2.963 -9.113 63 HD2 PHE 9 HD2 PHE 9 1.205 -5.969 -6.894 64 HE1 PHE 9 HE1 PHE 9 -2.221 -4.723 -10.255 65 HE2 PHE 9 HE2 PHE 9 -0.079 -7.730 -8.059 66 HZ PHE 9 HZ PHE 9 -1.797 -7.113 -9.745 67 H CYS 10 HN CYS 10 0.896 -3.370 -3.967 68 HA CYS 10 HA CYS 10 2.644 -1.061 -3.440 69 1HB CYS 10 HB2 CYS 10 2.282 -1.436 -0.998 70 2HB CYS 10 HB1 CYS 10 0.860 -0.782 -1.846 71 H SER 11 HN SER 11 2.815 -3.656 -1.167 72 HA SER 11 HA SER 11 4.023 -5.481 -2.863 73 1HB SER 11 HB2 SER 11 6.315 -5.594 -2.077 74 2HB SER 11 HB1 SER 11 6.039 -3.958 -2.745 75 HG SER 11 HG SER 11 5.767 -3.233 -0.542 76 H LEU 12 HN LEU 12 5.537 -6.063 0.032 77 HA LEU 12 HA LEU 12 3.236 -6.829 1.511 78 1HB LEU 12 HB2 LEU 12 5.285 -8.837 0.320 79 2HB LEU 12 HB1 LEU 12 4.187 -9.247 1.686 80 HG LEU 12 HG LEU 12 3.236 -8.440 -1.129 81 1HD1 LEU 12 HD11 LEU 12 3.630 -11.264 0.041 82 2HD1 LEU 12 HD12 LEU 12 4.540 -10.503 -1.320 83 3HD1 LEU 12 HD13 LEU 12 2.791 -10.872 -1.510 84 1HD2 LEU 12 HD21 LEU 12 1.542 -8.036 0.637 85 2HD2 LEU 12 HD22 LEU 12 1.722 -9.725 1.241 86 3HD2 LEU 12 HD23 LEU 12 1.058 -9.416 -0.405 87 HA PRO 13 HA PRO 13 6.594 -5.624 4.095 88 1HB PRO 13 HB2 PRO 13 6.086 -7.039 6.528 89 2HB PRO 13 HB1 PRO 13 5.227 -5.553 5.980 90 1HG PRO 13 HG1 PRO 13 4.374 -8.472 5.648 91 2HG PRO 13 HG2 PRO 13 3.365 -7.047 6.147 92 1HD PRO 13 HD1 PRO 13 3.301 -7.974 3.569 93 2HD PRO 13 HD2 PRO 13 3.314 -6.176 3.898 94 H ILE 14 HN ILE 14 6.642 -8.683 2.824 95 HA ILE 14 HA ILE 14 9.056 -9.482 4.261 96 HB ILE 14 HB ILE 14 7.218 -11.116 3.836 97 1HG1 ILE 14 HG12 ILE 14 9.889 -11.843 2.501 98 2HG1 ILE 14 HG11 ILE 14 9.583 -11.763 4.268 99 1HG2 ILE 14 HG21 ILE 14 6.864 -12.030 1.565 100 2HG2 ILE 14 HG22 ILE 14 8.031 -10.863 0.866 101 3HG2 ILE 14 HG23 ILE 14 6.482 -10.281 1.589 102 1HD1 ILE 14 HD11 ILE 14 9.386 -14.105 3.580 103 2HD1 ILE 14 HD12 ILE 14 8.231 -13.690 2.264 104 3HD1 ILE 14 HD13 ILE 14 7.737 -13.500 3.992 105 H LEU 15 HN LEU 15 8.031 -7.482 1.681 106 HA LEU 15 HA LEU 15 10.545 -7.933 0.201 107 1HB LEU 15 HB2 LEU 15 7.940 -6.679 -0.827 108 2HB LEU 15 HB1 LEU 15 9.467 -6.877 -1.749 109 HG LEU 15 HG LEU 15 7.714 -9.145 -0.618 110 1HD1 LEU 15 HD11 LEU 15 8.062 -8.181 -3.525 111 2HD1 LEU 15 HD12 LEU 15 6.595 -7.963 -2.498 112 3HD1 LEU 15 HD13 LEU 15 7.109 -9.614 -2.992 113 1HD2 LEU 15 HD21 LEU 15 10.090 -9.875 -0.716 114 2HD2 LEU 15 HD22 LEU 15 10.218 -9.314 -2.426 115 3HD2 LEU 15 HD23 LEU 15 9.130 -10.687 -1.995 116 H LYS 16 HN LYS 16 8.165 -5.268 0.641 117 HA LYS 16 HA LYS 16 10.332 -3.729 1.892 118 1HB LYS 16 HB2 LYS 16 8.453 -2.881 -0.375 119 2HB LYS 16 HB1 LYS 16 8.970 -1.669 0.850 120 1HG LYS 16 HG2 LYS 16 11.252 -1.847 0.326 121 2HG LYS 16 HG1 LYS 16 11.050 -3.333 -0.653 122 1HD LYS 16 HD2 LYS 16 9.659 -0.698 -1.428 123 2HD LYS 16 HD1 LYS 16 11.380 -0.979 -1.858 124 1HE LYS 16 HE2 LYS 16 9.057 -2.842 -2.705 125 2HE LYS 16 HE1 LYS 16 9.819 -1.573 -3.749 126 1HZ LYS 16 HZ1 LYS 16 11.894 -2.744 -3.488 127 2HZ LYS 16 HZ2 LYS 16 10.760 -3.729 -4.119 128 3HZ LYS 16 HZ3 LYS 16 11.195 -3.880 -2.558 129 H ASN 17 HN ASN 17 7.006 -2.696 1.219 130 HA ASN 17 HA ASN 17 5.585 -3.838 3.144 131 1HB ASN 17 HB2 ASN 17 7.341 -2.347 4.679 132 2HB ASN 17 HB1 ASN 17 6.277 -1.003 4.167 133 1HD2 ASN 17 HD21 ASN 17 6.756 -3.030 6.752 134 2HD2 ASN 17 HD22 ASN 17 5.116 -3.215 7.292 135 H GLY 18 HN GLY 18 3.780 -1.447 3.385 136 1HA GLY 18 HA2 GLY 18 4.294 0.277 1.240 137 2HA GLY 18 HA1 GLY 18 2.996 -0.955 0.842 138 H LEU 19 HN LEU 19 2.825 2.091 1.591 139 HA LEU 19 HA LEU 19 1.000 1.683 3.861 140 1HB LEU 19 HB2 LEU 19 2.543 4.255 3.150 141 2HB LEU 19 HB1 LEU 19 1.262 4.063 4.392 142 HG LEU 19 HG LEU 19 2.830 2.125 5.319 143 1HD1 LEU 19 HD11 LEU 19 5.269 2.645 5.159 144 2HD1 LEU 19 HD12 LEU 19 4.934 3.926 3.939 145 3HD1 LEU 19 HD13 LEU 19 4.612 2.198 3.554 146 1HD2 LEU 19 HD21 LEU 19 2.134 4.204 6.536 147 2HD2 LEU 19 HD22 LEU 19 3.536 5.088 5.816 148 3HD2 LEU 19 HD23 LEU 19 3.820 3.695 6.926 149 H CYS 20 HN CYS 20 -0.862 1.401 2.851 150 HA CYS 20 HA CYS 20 -1.371 2.688 0.308 151 1HB CYS 20 HB2 CYS 20 -2.873 0.569 1.938 152 2HB CYS 20 HB1 CYS 20 -3.481 1.244 0.397 153 H CYS 21 HN CYS 21 -3.187 4.077 -0.017 154 HA CYS 21 HA CYS 21 -3.608 5.785 2.143 155 1HB CYS 21 HB2 CYS 21 -5.434 5.623 -0.312 156 2HB CYS 21 HB1 CYS 21 -5.230 7.015 0.794 157 H SER 22 HN SER 22 -5.692 3.119 0.907 158 HA SER 22 HA SER 22 -7.690 3.676 2.914 159 1HB SER 22 HB2 SER 22 -8.768 1.551 1.863 160 2HB SER 22 HB1 SER 22 -8.618 3.009 0.835 161 HG SER 22 HG SER 22 -7.199 0.580 0.740 162 H GLY 23 HN GLY 23 -4.679 2.591 3.455 163 1HA GLY 23 HA2 GLY 23 -4.171 1.830 5.490 164 2HA GLY 23 HA1 GLY 23 -5.760 1.005 5.644 165 H ALA 24 HN ALA 24 -5.993 -0.814 3.735 166 HA ALA 24 HA ALA 24 -3.966 -2.601 4.746 167 1HB ALA 24 HB1 ALA 24 -5.255 -4.444 3.734 168 2HB ALA 24 HB2 ALA 24 -6.290 -3.262 2.858 169 3HB ALA 24 HB3 ALA 24 -6.355 -3.358 4.656 170 H CYS 25 HN CYS 25 -2.246 -3.522 3.649 171 HA CYS 25 HA CYS 25 -2.021 -3.116 0.760 172 1HB CYS 25 HB2 CYS 25 -0.277 -1.653 1.916 173 2HB CYS 25 HB1 CYS 25 0.134 -3.001 2.993 174 H VAL 26 HN VAL 26 -2.150 -5.211 -0.084 175 HA VAL 26 HA VAL 26 -0.722 -7.291 1.295 176 HB VAL 26 HB VAL 26 -2.808 -7.496 2.470 177 1HG1 VAL 26 HG11 VAL 26 -4.270 -7.630 -0.249 178 2HG1 VAL 26 HG12 VAL 26 -4.295 -6.244 0.903 179 3HG1 VAL 26 HG13 VAL 26 -5.001 -7.817 1.383 180 1HG2 VAL 26 HG21 VAL 26 -1.611 -9.570 1.863 181 2HG2 VAL 26 HG22 VAL 26 -2.566 -9.709 0.335 182 3HG2 VAL 26 HG23 VAL 26 -3.389 -9.833 1.931 183 H GLY 27 HN GLY 27 0.462 -6.342 -0.686 184 1HA GLY 27 HA2 GLY 27 1.234 -6.915 -2.672 185 2HA GLY 27 HA1 GLY 27 -0.236 -7.915 -3.020 186 H VAL 28 HN VAL 28 -2.291 -6.433 -2.813 187 HA VAL 28 HA VAL 28 -1.874 -4.019 -4.445 188 HB VAL 28 HB VAL 28 -4.412 -4.180 -4.774 189 1HG1 VAL 28 HG11 VAL 28 -2.703 -4.716 -6.531 190 2HG1 VAL 28 HG12 VAL 28 -4.128 -5.812 -6.649 191 3HG1 VAL 28 HG13 VAL 28 -2.589 -6.406 -5.922 192 1HG2 VAL 28 HG21 VAL 28 -5.449 -6.414 -4.448 193 2HG2 VAL 28 HG22 VAL 28 -4.817 -5.832 -2.864 194 3HG2 VAL 28 HG23 VAL 28 -3.922 -7.097 -3.796 195 H CYS 29 HN CYS 29 -3.070 -2.153 -3.727 196 HA CYS 29 HA CYS 29 -3.336 -2.009 -0.843 197 1HB CYS 29 HB2 CYS 29 -3.902 -0.028 -3.138 198 2HB CYS 29 HB1 CYS 29 -4.232 0.359 -1.418 199 H ALA 30 HN ALA 30 -5.277 -2.215 0.263 200 HA ALA 30 HA ALA 30 -7.734 -2.325 -1.332 201 1HB ALA 30 HB1 ALA 30 -6.836 -4.558 0.627 202 2HB ALA 30 HB2 ALA 30 -6.835 -4.732 -1.157 203 3HB ALA 30 HB3 ALA 30 -8.390 -4.513 -0.300 204 H ASP 31 HN ASP 31 -8.995 -3.480 1.235 205 HA ASP 31 HA ASP 31 -8.311 -1.617 3.227 206 1HB ASP 31 HB2 ASP 31 -10.707 -0.989 3.694 207 2HB ASP 31 HB1 ASP 31 -10.123 -0.218 2.186 208 H LEU 32 HN LEU 32 -9.953 -2.605 5.106 209 HA LEU 32 HA LEU 32 -10.741 -5.240 4.645 210 1HB LEU 32 HB2 LEU 32 -8.511 -4.481 6.681 211 2HB LEU 32 HB1 LEU 32 -9.512 -5.960 6.852 212 HG LEU 32 HG LEU 32 -7.684 -5.382 4.440 213 1HD1 LEU 32 HD11 LEU 32 -6.285 -5.519 6.474 214 2HD1 LEU 32 HD12 LEU 32 -6.052 -6.970 5.431 215 3HD1 LEU 32 HD13 LEU 32 -7.048 -7.088 6.927 216 1HD2 LEU 32 HD21 LEU 32 -9.104 -7.966 5.341 217 2HD2 LEU 32 HD22 LEU 32 -7.876 -7.856 4.024 218 3HD2 LEU 32 HD23 LEU 32 -9.440 -6.990 3.861 219 1HN NH2 33 H1 NH2 33 -12.578 -3.977 7.576 220 2HN NH2 33 H2 NH2 33 -12.023 -5.474 6.898 Start of MODEL 12 1 1H ASP 1 HT1 ASP 1 6.071 6.345 -2.446 2 2H ASP 1 HT2 ASP 1 7.172 7.510 -2.119 3 3H ASP 1 HT3 ASP 1 7.071 6.873 -3.619 4 HA ASP 1 HA ASP 1 6.095 8.986 -3.672 5 1HB ASP 1 HB2 ASP 1 4.944 6.983 -4.908 6 2HB ASP 1 HB1 ASP 1 3.771 6.930 -3.551 7 H ASP 2 HN ASP 2 3.064 8.783 -2.485 8 HA ASP 2 HA ASP 2 3.859 9.772 0.162 9 1HB ASP 2 HB2 ASP 2 2.661 11.400 -1.362 10 2HB ASP 2 HB1 ASP 2 1.280 10.269 -1.477 11 H CYS 3 HN CYS 3 0.520 8.789 -0.456 12 HA CYS 3 HA CYS 3 1.103 6.200 0.811 13 1HB CYS 3 HB2 CYS 3 -1.306 5.950 1.215 14 2HB CYS 3 HB1 CYS 3 -0.604 7.319 2.102 15 H ILE 4 HN ILE 4 -0.013 4.386 -0.254 16 HA ILE 4 HA ILE 4 0.299 4.723 -3.131 17 HB ILE 4 HB ILE 4 -0.031 2.156 -1.528 18 1HG1 ILE 4 HG12 ILE 4 2.594 3.575 -2.310 19 2HG1 ILE 4 HG11 ILE 4 1.922 3.461 -0.655 20 1HG2 ILE 4 HG21 ILE 4 1.093 1.160 -3.581 21 2HG2 ILE 4 HG22 ILE 4 1.077 2.775 -4.367 22 3HG2 ILE 4 HG23 ILE 4 -0.469 1.914 -3.987 23 1HD1 ILE 4 HD11 ILE 4 3.600 1.774 -0.794 24 2HD1 ILE 4 HD12 ILE 4 2.950 1.116 -2.338 25 3HD1 ILE 4 HD13 ILE 4 2.016 0.937 -0.796 26 H LYS 5 HN LYS 5 -1.351 3.944 -4.577 27 HA LYS 5 HA LYS 5 -3.781 5.121 -3.922 28 1HB LYS 5 HB2 LYS 5 -2.631 5.164 -6.190 29 2HB LYS 5 HB1 LYS 5 -2.936 3.399 -6.335 30 1HG LYS 5 HG2 LYS 5 -5.451 3.921 -6.313 31 2HG LYS 5 HG1 LYS 5 -5.027 5.662 -6.267 32 1HD LYS 5 HD2 LYS 5 -5.574 5.064 -8.545 33 2HD LYS 5 HD1 LYS 5 -3.812 5.387 -8.471 34 1HE LYS 5 HE2 LYS 5 -4.312 3.405 -9.906 35 2HE LYS 5 HE1 LYS 5 -3.373 2.881 -8.455 36 1HZ LYS 5 HZ1 LYS 5 -6.275 2.626 -8.848 37 2HZ LYS 5 HZ2 LYS 5 -5.492 2.231 -7.479 38 3HZ LYS 5 HZ3 LYS 5 -5.175 1.427 -8.854 39 HA HYP 6 HA HYP 6 -5.844 1.352 -2.705 40 1HB HYP 6 HB1 HYP 6 -8.170 1.808 -2.284 41 2HB HYP 6 HB2 HYP 6 -8.375 2.578 -3.903 42 1HD HYP 6 HD1 HYP 6 -6.707 4.703 -4.378 43 2HD HYP 6 HD2 HYP 6 -5.667 5.146 -2.957 44 HOD HYP 6 HOD HYP 6 -6.965 2.919 -0.846 45 HG HYP 6 HG HYP 6 -8.272 4.551 -2.465 46 H TYR 7 HN TYR 7 -6.023 -0.659 -3.821 47 HA TYR 7 HA TYR 7 -5.744 -2.006 -5.391 48 1HB TYR 7 HB2 TYR 7 -7.887 -0.386 -6.852 49 2HB TYR 7 HB1 TYR 7 -7.214 -1.933 -7.494 50 HD1 TYR 7 HD1 TYR 7 -9.619 -0.522 -5.174 51 HD2 TYR 7 HD2 TYR 7 -7.188 -3.975 -5.962 52 HE1 TYR 7 HE1 TYR 7 -11.093 -1.888 -3.736 53 HE2 TYR 7 HE2 TYR 7 -8.641 -5.344 -4.534 54 HH TYR 7 HH TYR 7 -10.508 -5.398 -3.236 55 H GLY 8 HN GLY 8 -3.893 0.313 -5.297 56 1HA GLY 8 HA2 GLY 8 -2.704 -0.186 -7.943 57 2HA GLY 8 HA1 GLY 8 -2.158 0.958 -6.635 58 H PHE 9 HN PHE 9 -0.290 -1.030 -7.607 59 HA PHE 9 HA PHE 9 -0.426 -3.208 -5.698 60 1HB PHE 9 HB2 PHE 9 1.642 -2.468 -7.860 61 2HB PHE 9 HB1 PHE 9 1.935 -3.754 -6.629 62 HD1 PHE 9 HD1 PHE 9 0.193 -2.978 -9.753 63 HD2 PHE 9 HD2 PHE 9 0.334 -5.661 -6.397 64 HE1 PHE 9 HE1 PHE 9 -1.122 -4.646 -11.023 65 HE2 PHE 9 HE2 PHE 9 -0.972 -7.326 -7.671 66 HZ PHE 9 HZ PHE 9 -1.710 -6.820 -9.985 67 H CYS 10 HN CYS 10 0.964 -3.419 -3.910 68 HA CYS 10 HA CYS 10 1.882 -0.762 -3.043 69 1HB CYS 10 HB2 CYS 10 1.395 -1.394 -0.738 70 2HB CYS 10 HB1 CYS 10 -0.019 -1.495 -1.802 71 H SER 11 HN SER 11 3.306 -1.322 -0.835 72 HA SER 11 HA SER 11 5.408 -2.952 -1.008 73 1HB SER 11 HB2 SER 11 7.156 -1.042 -1.596 74 2HB SER 11 HB1 SER 11 6.361 -1.853 -2.984 75 HG SER 11 HG SER 11 5.010 -0.195 -3.232 76 H LEU 12 HN LEU 12 6.870 -0.400 0.299 77 HA LEU 12 HA LEU 12 5.046 0.226 2.380 78 1HB LEU 12 HB2 LEU 12 6.921 -2.112 2.511 79 2HB LEU 12 HB1 LEU 12 7.481 -0.845 3.623 80 HG LEU 12 HG LEU 12 5.167 -0.811 4.683 81 1HD1 LEU 12 HD11 LEU 12 3.749 -1.870 2.984 82 2HD1 LEU 12 HD12 LEU 12 3.769 -2.919 4.440 83 3HD1 LEU 12 HD13 LEU 12 4.750 -3.370 2.998 84 1HD2 LEU 12 HD21 LEU 12 7.122 -1.922 5.733 85 2HD2 LEU 12 HD22 LEU 12 6.771 -3.446 4.836 86 3HD2 LEU 12 HD23 LEU 12 5.603 -2.830 6.065 87 HA PRO 13 HA PRO 13 8.371 3.370 2.184 88 1HB PRO 13 HB2 PRO 13 9.283 2.485 4.974 89 2HB PRO 13 HB1 PRO 13 9.157 4.176 4.331 90 1HG PRO 13 HG1 PRO 13 7.172 3.200 5.924 91 2HG PRO 13 HG2 PRO 13 6.732 4.081 4.403 92 1HD PRO 13 HD1 PRO 13 6.826 1.049 4.885 93 2HD PRO 13 HD2 PRO 13 5.577 2.024 3.980 94 H ILE 14 HN ILE 14 10.667 3.594 1.709 95 HA ILE 14 HA ILE 14 12.468 1.519 2.156 96 HB ILE 14 HB ILE 14 11.315 0.163 0.541 97 1HG1 ILE 14 HG12 ILE 14 12.956 -0.052 -1.330 98 2HG1 ILE 14 HG11 ILE 14 13.740 1.484 -0.836 99 1HG2 ILE 14 HG21 ILE 14 9.886 1.933 -0.530 100 2HG2 ILE 14 HG22 ILE 14 10.657 0.811 -1.696 101 3HG2 ILE 14 HG23 ILE 14 11.317 2.464 -1.511 102 1HD1 ILE 14 HD11 ILE 14 13.487 -1.043 0.940 103 2HD1 ILE 14 HD12 ILE 14 14.371 0.474 1.369 104 3HD1 ILE 14 HD13 ILE 14 14.948 -0.553 0.013 105 H LEU 15 HN LEU 15 11.237 3.968 -0.105 106 HA LEU 15 HA LEU 15 13.332 5.781 0.857 107 1HB LEU 15 HB2 LEU 15 11.731 6.039 -1.779 108 2HB LEU 15 HB1 LEU 15 12.999 7.169 -1.186 109 HG LEU 15 HG LEU 15 13.434 4.248 -2.059 110 1HD1 LEU 15 HD11 LEU 15 14.500 5.186 -4.091 111 2HD1 LEU 15 HD12 LEU 15 14.117 6.863 -3.551 112 3HD1 LEU 15 HD13 LEU 15 12.784 5.717 -3.962 113 1HD2 LEU 15 HD21 LEU 15 15.523 6.405 -1.322 114 2HD2 LEU 15 HD22 LEU 15 15.875 4.785 -2.026 115 3HD2 LEU 15 HD23 LEU 15 15.151 4.904 -0.389 116 H LYS 16 HN LYS 16 11.553 8.032 0.017 117 HA LYS 16 HA LYS 16 9.572 7.831 2.035 118 1HB LYS 16 HB2 LYS 16 9.941 9.838 -0.260 119 2HB LYS 16 HB1 LYS 16 8.621 9.970 0.949 120 1HG LYS 16 HG2 LYS 16 11.609 9.947 1.711 121 2HG LYS 16 HG1 LYS 16 10.646 11.434 1.401 122 1HD LYS 16 HD2 LYS 16 9.058 10.824 3.214 123 2HD LYS 16 HD1 LYS 16 10.013 9.341 3.578 124 1HE LYS 16 HE2 LYS 16 11.992 10.739 4.210 125 2HE LYS 16 HE1 LYS 16 11.068 12.243 3.803 126 1HZ LYS 16 HZ1 LYS 16 9.529 11.672 5.518 127 2HZ LYS 16 HZ2 LYS 16 11.033 11.725 6.130 128 3HZ LYS 16 HZ3 LYS 16 10.312 10.291 5.872 129 H ASN 17 HN ASN 17 7.543 6.901 1.960 130 HA ASN 17 HA ASN 17 5.967 6.558 -0.187 131 1HB ASN 17 HB2 ASN 17 8.078 4.895 -0.749 132 2HB ASN 17 HB1 ASN 17 7.409 3.930 0.595 133 1HD2 ASN 17 HD21 ASN 17 6.558 2.164 -0.505 134 2HD2 ASN 17 HD22 ASN 17 5.518 2.233 -1.876 135 H GLY 18 HN GLY 18 4.661 4.183 1.149 136 1HA GLY 18 HA2 GLY 18 4.718 4.646 3.882 137 2HA GLY 18 HA1 GLY 18 3.487 5.683 3.001 138 H LEU 19 HN LEU 19 1.921 4.137 4.106 139 HA LEU 19 HA LEU 19 1.807 1.509 2.876 140 1HB LEU 19 HB2 LEU 19 -0.125 2.844 4.889 141 2HB LEU 19 HB1 LEU 19 -0.202 1.146 4.324 142 HG LEU 19 HG LEU 19 0.607 1.081 6.489 143 1HD1 LEU 19 HD11 LEU 19 2.738 -0.124 6.273 144 2HD1 LEU 19 HD12 LEU 19 3.060 0.629 4.671 145 3HD1 LEU 19 HD13 LEU 19 1.667 -0.501 4.873 146 1HD2 LEU 19 HD21 LEU 19 2.534 2.189 7.450 147 2HD2 LEU 19 HD22 LEU 19 1.434 3.434 6.752 148 3HD2 LEU 19 HD23 LEU 19 2.958 2.975 5.891 149 H CYS 20 HN CYS 20 -1.089 1.441 2.788 150 HA CYS 20 HA CYS 20 -1.408 2.856 0.274 151 1HB CYS 20 HB2 CYS 20 -3.142 0.794 1.746 152 2HB CYS 20 HB1 CYS 20 -3.526 1.501 0.146 153 H CYS 21 HN CYS 21 -3.305 4.196 -0.079 154 HA CYS 21 HA CYS 21 -3.654 5.936 2.092 155 1HB CYS 21 HB2 CYS 21 -5.416 5.798 -0.409 156 2HB CYS 21 HB1 CYS 21 -5.237 7.195 0.696 157 H SER 22 HN SER 22 -5.659 3.225 0.889 158 HA SER 22 HA SER 22 -7.723 3.764 2.833 159 1HB SER 22 HB2 SER 22 -8.621 1.530 1.779 160 2HB SER 22 HB1 SER 22 -8.592 3.009 0.765 161 HG SER 22 HG SER 22 -7.031 0.700 0.657 162 H GLY 23 HN GLY 23 -4.647 2.756 3.283 163 1HA GLY 23 HA2 GLY 23 -3.993 2.077 5.289 164 2HA GLY 23 HA1 GLY 23 -5.518 1.147 5.550 165 H ALA 24 HN ALA 24 -5.781 -0.699 3.781 166 HA ALA 24 HA ALA 24 -3.580 -2.316 4.682 167 1HB ALA 24 HB1 ALA 24 -6.065 -3.210 3.118 168 2HB ALA 24 HB2 ALA 24 -5.920 -3.170 4.914 169 3HB ALA 24 HB3 ALA 24 -4.889 -4.285 3.955 170 H CYS 25 HN CYS 25 -2.398 -3.928 3.355 171 HA CYS 25 HA CYS 25 -2.060 -3.289 0.571 172 1HB CYS 25 HB2 CYS 25 -0.253 -1.933 1.666 173 2HB CYS 25 HB1 CYS 25 -0.011 -3.194 2.897 174 H VAL 26 HN VAL 26 -2.042 -5.389 -0.325 175 HA VAL 26 HA VAL 26 -0.912 -7.556 1.164 176 HB VAL 26 HB VAL 26 -3.109 -7.601 2.176 177 1HG1 VAL 26 HG11 VAL 26 -4.320 -7.748 -0.664 178 2HG1 VAL 26 HG12 VAL 26 -4.373 -6.315 0.429 179 3HG1 VAL 26 HG13 VAL 26 -5.201 -7.835 0.899 180 1HG2 VAL 26 HG21 VAL 26 -3.749 -9.919 1.647 181 2HG2 VAL 26 HG22 VAL 26 -1.960 -9.749 1.699 182 3HG2 VAL 26 HG23 VAL 26 -2.807 -9.878 0.114 183 H GLY 27 HN GLY 27 0.246 -6.382 -0.790 184 1HA GLY 27 HA2 GLY 27 1.206 -7.011 -2.751 185 2HA GLY 27 HA1 GLY 27 -0.239 -8.019 -3.176 186 H VAL 28 HN VAL 28 -2.346 -6.606 -3.096 187 HA VAL 28 HA VAL 28 -1.913 -4.116 -4.587 188 HB VAL 28 HB VAL 28 -4.441 -4.136 -4.804 189 1HG1 VAL 28 HG11 VAL 28 -2.897 -4.766 -6.649 190 2HG1 VAL 28 HG12 VAL 28 -4.381 -5.783 -6.687 191 3HG1 VAL 28 HG13 VAL 28 -2.838 -6.465 -6.053 192 1HG2 VAL 28 HG21 VAL 28 -5.623 -6.292 -4.452 193 2HG2 VAL 28 HG22 VAL 28 -4.913 -5.747 -2.895 194 3HG2 VAL 28 HG23 VAL 28 -4.131 -7.076 -3.836 195 H CYS 29 HN CYS 29 -3.029 -2.224 -3.736 196 HA CYS 29 HA CYS 29 -3.225 -2.140 -0.845 197 1HB CYS 29 HB2 CYS 29 -3.984 -0.201 -3.107 198 2HB CYS 29 HB1 CYS 29 -4.298 0.182 -1.387 199 H ALA 30 HN ALA 30 -5.170 -2.089 0.352 200 HA ALA 30 HA ALA 30 -7.663 -2.241 -1.141 201 1HB ALA 30 HB1 ALA 30 -8.421 -4.357 -0.049 202 2HB ALA 30 HB2 ALA 30 -6.829 -4.506 0.804 203 3HB ALA 30 HB3 ALA 30 -6.930 -4.682 -0.982 204 H ASP 31 HN ASP 31 -8.810 -3.323 1.551 205 HA ASP 31 HA ASP 31 -8.053 -1.394 3.445 206 1HB ASP 31 HB2 ASP 31 -10.536 -0.888 3.987 207 2HB ASP 31 HB1 ASP 31 -9.885 -0.007 2.572 208 H LEU 32 HN LEU 32 -9.396 -2.451 5.502 209 HA LEU 32 HA LEU 32 -10.250 -5.067 5.125 210 1HB LEU 32 HB2 LEU 32 -7.691 -4.416 6.776 211 2HB LEU 32 HB1 LEU 32 -8.681 -5.888 7.042 212 HG LEU 32 HG LEU 32 -7.219 -5.228 4.422 213 1HD1 LEU 32 HD11 LEU 32 -5.509 -6.890 5.078 214 2HD1 LEU 32 HD12 LEU 32 -6.322 -7.141 6.669 215 3HD1 LEU 32 HD13 LEU 32 -5.582 -5.545 6.274 216 1HD2 LEU 32 HD21 LEU 32 -8.564 -7.843 5.352 217 2HD2 LEU 32 HD22 LEU 32 -7.568 -7.635 3.862 218 3HD2 LEU 32 HD23 LEU 32 -9.117 -6.745 4.028 219 1HN NH2 33 H1 NH2 33 -11.454 -3.935 8.433 220 2HN NH2 33 H2 NH2 33 -11.059 -5.401 7.598 Start of MODEL 13 1 1H ASP 1 HT1 ASP 1 1.170 14.408 1.994 2 2H ASP 1 HT2 ASP 1 1.074 14.471 3.633 3 3H ASP 1 HT3 ASP 1 -0.089 13.728 2.758 4 HA ASP 1 HA ASP 1 2.647 12.851 3.170 5 1HB ASP 1 HB2 ASP 1 1.615 10.661 3.834 6 2HB ASP 1 HB1 ASP 1 0.979 11.987 4.849 7 H ASP 2 HN ASP 2 2.185 10.194 1.861 8 HA ASP 2 HA ASP 2 1.187 10.731 -0.712 9 1HB ASP 2 HB2 ASP 2 4.123 9.812 -0.170 10 2HB ASP 2 HB1 ASP 2 3.258 9.530 -1.729 11 H CYS 3 HN CYS 3 0.781 8.253 -1.418 12 HA CYS 3 HA CYS 3 1.383 6.301 0.426 13 1HB CYS 3 HB2 CYS 3 -1.071 5.764 1.012 14 2HB CYS 3 HB1 CYS 3 -0.337 7.093 1.935 15 H ILE 4 HN ILE 4 0.066 4.370 -0.499 16 HA ILE 4 HA ILE 4 0.192 4.622 -3.392 17 HB ILE 4 HB ILE 4 -0.118 2.162 -1.606 18 1HG1 ILE 4 HG12 ILE 4 2.064 3.312 -1.189 19 2HG1 ILE 4 HG11 ILE 4 2.205 1.668 -1.877 20 1HG2 ILE 4 HG21 ILE 4 0.515 2.424 -4.636 21 2HG2 ILE 4 HG22 ILE 4 -0.957 1.691 -3.898 22 3HG2 ILE 4 HG23 ILE 4 0.634 0.907 -3.672 23 1HD1 ILE 4 HD11 ILE 4 2.486 4.269 -3.531 24 2HD1 ILE 4 HD12 ILE 4 2.744 2.583 -4.124 25 3HD1 ILE 4 HD13 ILE 4 3.842 3.277 -2.890 26 H LYS 5 HN LYS 5 -1.530 3.942 -4.670 27 HA LYS 5 HA LYS 5 -3.945 5.095 -3.888 28 1HB LYS 5 HB2 LYS 5 -2.919 5.226 -6.209 29 2HB LYS 5 HB1 LYS 5 -3.132 3.447 -6.376 30 1HG LYS 5 HG2 LYS 5 -5.615 3.754 -6.252 31 2HG LYS 5 HG1 LYS 5 -5.384 5.540 -6.157 32 1HD LYS 5 HD2 LYS 5 -4.334 5.521 -8.417 33 2HD LYS 5 HD1 LYS 5 -4.454 3.728 -8.484 34 1HE LYS 5 HE2 LYS 5 -6.857 5.675 -8.311 35 2HE LYS 5 HE1 LYS 5 -6.294 4.818 -9.801 36 1HZ LYS 5 HZ1 LYS 5 -6.804 2.762 -8.729 37 2HZ LYS 5 HZ2 LYS 5 -8.118 3.723 -8.704 38 3HZ LYS 5 HZ3 LYS 5 -7.247 3.499 -7.349 39 HA HYP 6 HA HYP 6 -5.861 1.278 -2.602 40 1HB HYP 6 HB1 HYP 6 -8.172 1.681 -2.123 41 2HB HYP 6 HB2 HYP 6 -8.478 2.302 -3.784 42 1HD HYP 6 HD1 HYP 6 -6.909 4.479 -4.456 43 2HD HYP 6 HD2 HYP 6 -5.901 5.108 -3.083 44 HOD HYP 6 HOD HYP 6 -7.019 2.960 -0.823 45 HG HYP 6 HG HYP 6 -8.458 4.402 -2.526 46 H TYR 7 HN TYR 7 -5.905 -0.767 -3.758 47 HA TYR 7 HA TYR 7 -5.710 -2.098 -5.350 48 1HB TYR 7 HB2 TYR 7 -7.787 -0.483 -6.922 49 2HB TYR 7 HB1 TYR 7 -7.250 -2.174 -7.281 50 HD1 TYR 7 HD1 TYR 7 -9.433 -0.127 -5.194 51 HD2 TYR 7 HD2 TYR 7 -7.426 -3.919 -5.440 52 HE1 TYR 7 HE1 TYR 7 -10.833 -0.990 -3.342 53 HE2 TYR 7 HE2 TYR 7 -8.801 -4.780 -3.597 54 HH TYR 7 HH TYR 7 -10.395 -4.309 -2.073 55 H GLY 8 HN GLY 8 -3.846 0.167 -5.243 56 1HA GLY 8 HA2 GLY 8 -2.703 -0.298 -7.919 57 2HA GLY 8 HA1 GLY 8 -2.243 0.989 -6.715 58 H PHE 9 HN PHE 9 -0.229 -0.880 -7.616 59 HA PHE 9 HA PHE 9 -0.187 -3.109 -5.830 60 1HB PHE 9 HB2 PHE 9 2.147 -2.020 -7.533 61 2HB PHE 9 HB1 PHE 9 1.974 -3.683 -6.859 62 HD1 PHE 9 HD1 PHE 9 -0.155 -5.034 -7.676 63 HD2 PHE 9 HD2 PHE 9 1.467 -1.608 -9.715 64 HE1 PHE 9 HE1 PHE 9 -1.287 -5.730 -9.763 65 HE2 PHE 9 HE2 PHE 9 0.345 -2.317 -11.796 66 HZ PHE 9 HZ PHE 9 -1.035 -4.376 -11.829 67 H CYS 10 HN CYS 10 0.994 -3.249 -3.845 68 HA CYS 10 HA CYS 10 2.355 -0.725 -3.065 69 1HB CYS 10 HB2 CYS 10 2.089 -1.586 -0.666 70 2HB CYS 10 HB1 CYS 10 0.691 -0.876 -1.510 71 H SER 11 HN SER 11 4.304 -1.323 -4.277 72 HA SER 11 HA SER 11 6.028 -2.688 -2.550 73 1HB SER 11 HB2 SER 11 7.129 -3.895 -4.609 74 2HB SER 11 HB1 SER 11 5.660 -4.693 -3.940 75 HG SER 11 HG SER 11 4.442 -3.733 -5.536 76 H LEU 12 HN LEU 12 8.278 -1.982 -3.652 77 HA LEU 12 HA LEU 12 8.258 0.140 -5.417 78 1HB LEU 12 HB2 LEU 12 9.150 0.545 -2.452 79 2HB LEU 12 HB1 LEU 12 9.629 1.628 -3.792 80 HG LEU 12 HG LEU 12 6.807 1.292 -2.652 81 1HD1 LEU 12 HD11 LEU 12 8.744 3.706 -2.614 82 2HD1 LEU 12 HD12 LEU 12 8.467 2.591 -1.233 83 3HD1 LEU 12 HD13 LEU 12 7.118 3.620 -1.842 84 1HD2 LEU 12 HD21 LEU 12 6.650 1.775 -5.115 85 2HD2 LEU 12 HD22 LEU 12 7.735 3.199 -4.905 86 3HD2 LEU 12 HD23 LEU 12 6.112 3.168 -4.121 87 HA PRO 13 HA PRO 13 12.169 -2.264 -5.177 88 1HB PRO 13 HB2 PRO 13 13.629 0.314 -4.330 89 2HB PRO 13 HB1 PRO 13 14.235 -0.980 -5.448 90 1HG PRO 13 HG1 PRO 13 13.168 1.293 -6.515 91 2HG PRO 13 HG2 PRO 13 12.639 -0.309 -7.175 92 1HD PRO 13 HD1 PRO 13 11.180 1.491 -5.174 93 2HD PRO 13 HD2 PRO 13 10.493 0.549 -6.576 94 H ILE 14 HN ILE 14 12.246 -3.690 -3.461 95 HA ILE 14 HA ILE 14 10.929 -2.585 -1.281 96 HB ILE 14 HB ILE 14 10.004 -4.440 -2.363 97 1HG1 ILE 14 HG12 ILE 14 9.556 -5.963 -0.450 98 2HG1 ILE 14 HG11 ILE 14 10.868 -5.192 0.498 99 1HG2 ILE 14 HG21 ILE 14 12.478 -6.078 -1.532 100 2HG2 ILE 14 HG22 ILE 14 12.039 -5.583 -3.208 101 3HG2 ILE 14 HG23 ILE 14 10.986 -6.714 -2.302 102 1HD1 ILE 14 HD11 ILE 14 8.565 -4.325 1.086 103 2HD1 ILE 14 HD12 ILE 14 8.358 -3.737 -0.605 104 3HD1 ILE 14 HD13 ILE 14 9.618 -3.010 0.464 105 H LEU 15 HN LEU 15 12.015 -1.506 0.059 106 HA LEU 15 HA LEU 15 13.600 -2.681 2.060 107 1HB LEU 15 HB2 LEU 15 14.791 -0.462 0.209 108 2HB LEU 15 HB1 LEU 15 15.352 -0.723 1.897 109 HG LEU 15 HG LEU 15 15.567 -2.789 -0.373 110 1HD1 LEU 15 HD11 LEU 15 17.990 -2.206 -0.429 111 2HD1 LEU 15 HD12 LEU 15 17.717 -0.899 0.782 112 3HD1 LEU 15 HD13 LEU 15 16.964 -0.787 -0.853 113 1HD2 LEU 15 HD21 LEU 15 16.787 -2.763 2.470 114 2HD2 LEU 15 HD22 LEU 15 17.177 -3.947 1.167 115 3HD2 LEU 15 HD23 LEU 15 15.518 -3.890 1.846 116 H LYS 16 HN LYS 16 12.736 0.202 0.144 117 HA LYS 16 HA LYS 16 11.172 1.217 2.405 118 1HB LYS 16 HB2 LYS 16 11.494 2.324 -0.457 119 2HB LYS 16 HB1 LYS 16 10.609 3.110 0.899 120 1HG LYS 16 HG2 LYS 16 12.774 3.294 2.177 121 2HG LYS 16 HG1 LYS 16 13.647 2.542 0.798 122 1HD LYS 16 HD2 LYS 16 12.904 4.430 -0.688 123 2HD LYS 16 HD1 LYS 16 12.079 5.194 0.722 124 1HE LYS 16 HE2 LYS 16 14.305 5.371 1.912 125 2HE LYS 16 HE1 LYS 16 15.121 4.609 0.485 126 1HZ LYS 16 HZ1 LYS 16 14.364 6.466 -0.817 127 2HZ LYS 16 HZ2 LYS 16 15.268 6.966 0.438 128 3HZ LYS 16 HZ3 LYS 16 13.651 7.154 0.477 129 H ASN 17 HN ASN 17 8.786 1.530 1.879 130 HA ASN 17 HA ASN 17 7.798 0.426 -0.478 131 1HB ASN 17 HB2 ASN 17 7.735 -1.627 1.220 132 2HB ASN 17 HB1 ASN 17 6.542 -0.649 2.148 133 1HD2 ASN 17 HD22 ASN 17 5.791 -3.175 1.065 134 2HD2 ASN 17 HD21 ASN 17 4.748 -2.970 -0.309 135 H GLY 18 HN GLY 18 5.287 1.144 -0.039 136 1HA GLY 18 HA2 GLY 18 5.439 3.767 1.328 137 2HA GLY 18 HA1 GLY 18 4.350 3.287 -0.043 138 H LEU 19 HN LEU 19 2.500 3.976 1.503 139 HA LEU 19 HA LEU 19 1.765 1.695 3.141 140 1HB LEU 19 HB2 LEU 19 1.279 4.695 3.801 141 2HB LEU 19 HB1 LEU 19 0.403 3.331 4.557 142 HG LEU 19 HG LEU 19 1.961 4.138 6.123 143 1HD1 LEU 19 HD11 LEU 19 3.256 2.157 6.724 144 2HD1 LEU 19 HD12 LEU 19 3.214 1.537 5.034 145 3HD1 LEU 19 HD13 LEU 19 1.694 1.634 6.005 146 1HD2 LEU 19 HD21 LEU 19 4.362 4.370 5.894 147 2HD2 LEU 19 HD22 LEU 19 3.561 5.317 4.586 148 3HD2 LEU 19 HD23 LEU 19 4.344 3.729 4.219 149 H CYS 20 HN CYS 20 -0.685 1.600 2.907 150 HA CYS 20 HA CYS 20 -1.426 2.632 0.280 151 1HB CYS 20 HB2 CYS 20 -2.770 0.663 2.221 152 2HB CYS 20 HB1 CYS 20 -3.491 1.193 0.672 153 H CYS 21 HN CYS 21 -3.122 4.139 -0.001 154 HA CYS 21 HA CYS 21 -3.498 5.870 2.153 155 1HB CYS 21 HB2 CYS 21 -5.305 5.669 -0.319 156 2HB CYS 21 HB1 CYS 21 -5.141 7.074 0.779 157 H SER 22 HN SER 22 -5.568 3.191 0.915 158 HA SER 22 HA SER 22 -7.617 3.800 2.845 159 1HB SER 22 HB2 SER 22 -8.634 1.658 1.735 160 2HB SER 22 HB1 SER 22 -8.495 3.159 0.768 161 HG SER 22 HG SER 22 -7.068 0.761 0.616 162 H GLY 23 HN GLY 23 -4.627 2.576 3.365 163 1HA GLY 23 HA2 GLY 23 -4.158 1.970 5.446 164 2HA GLY 23 HA1 GLY 23 -5.767 1.195 5.656 165 H ALA 24 HN ALA 24 -5.636 -0.591 3.314 166 HA ALA 24 HA ALA 24 -3.823 -2.470 4.715 167 1HB ALA 24 HB1 ALA 24 -5.215 -4.315 3.892 168 2HB ALA 24 HB2 ALA 24 -6.267 -3.160 2.997 169 3HB ALA 24 HB3 ALA 24 -6.232 -3.142 4.800 170 H CYS 25 HN CYS 25 -2.447 -3.841 3.459 171 HA CYS 25 HA CYS 25 -2.160 -3.224 0.638 172 1HB CYS 25 HB2 CYS 25 -0.183 -2.132 1.822 173 2HB CYS 25 HB1 CYS 25 0.002 -3.584 2.836 174 H VAL 26 HN VAL 26 -2.266 -5.282 -0.385 175 HA VAL 26 HA VAL 26 -1.492 -7.606 1.162 176 HB VAL 26 HB VAL 26 -3.871 -7.326 1.690 177 1HG1 VAL 26 HG11 VAL 26 -5.637 -7.431 -0.042 178 2HG1 VAL 26 HG12 VAL 26 -4.407 -7.401 -1.352 179 3HG1 VAL 26 HG13 VAL 26 -4.605 -5.978 -0.265 180 1HG2 VAL 26 HG21 VAL 26 -3.403 -9.696 -0.226 181 2HG2 VAL 26 HG22 VAL 26 -4.644 -9.571 1.071 182 3HG2 VAL 26 HG23 VAL 26 -2.894 -9.605 1.502 183 H GLY 27 HN GLY 27 -0.073 -6.126 -0.681 184 1HA GLY 27 HA2 GLY 27 1.233 -6.787 -2.441 185 2HA GLY 27 HA1 GLY 27 -0.093 -7.856 -3.063 186 H VAL 28 HN VAL 28 -2.267 -6.381 -3.113 187 HA VAL 28 HA VAL 28 -1.654 -3.866 -4.511 188 HB VAL 28 HB VAL 28 -4.097 -3.872 -5.122 189 1HG1 VAL 28 HG11 VAL 28 -2.317 -4.468 -6.739 190 2HG1 VAL 28 HG12 VAL 28 -3.776 -5.482 -7.022 191 3HG1 VAL 28 HG13 VAL 28 -2.345 -6.188 -6.185 192 1HG2 VAL 28 HG21 VAL 28 -5.352 -6.018 -5.026 193 2HG2 VAL 28 HG22 VAL 28 -4.895 -5.518 -3.367 194 3HG2 VAL 28 HG23 VAL 28 -3.985 -6.840 -4.200 195 H CYS 29 HN CYS 29 -2.944 -2.038 -3.649 196 HA CYS 29 HA CYS 29 -3.326 -2.256 -0.785 197 1HB CYS 29 HB2 CYS 29 -4.034 -0.053 -2.788 198 2HB CYS 29 HB1 CYS 29 -4.285 0.103 -1.021 199 H ALA 30 HN ALA 30 -5.339 -2.056 0.335 200 HA ALA 30 HA ALA 30 -7.757 -2.117 -1.249 201 1HB ALA 30 HB1 ALA 30 -8.646 -4.213 -0.173 202 2HB ALA 30 HB2 ALA 30 -7.057 -4.465 0.660 203 3HB ALA 30 HB3 ALA 30 -7.180 -4.595 -1.128 204 H ASP 31 HN ASP 31 -8.921 -3.228 1.481 205 HA ASP 31 HA ASP 31 -8.136 -1.350 3.382 206 1HB ASP 31 HB2 ASP 31 -10.628 -0.671 3.824 207 2HB ASP 31 HB1 ASP 31 -9.804 0.205 2.511 208 H LEU 32 HN LEU 32 -10.130 -2.233 5.185 209 HA LEU 32 HA LEU 32 -10.736 -4.935 4.598 210 1HB LEU 32 HB2 LEU 32 -9.390 -3.969 7.234 211 2HB LEU 32 HB1 LEU 32 -10.223 -5.546 7.039 212 HG LEU 32 HG LEU 32 -7.675 -4.657 5.559 213 1HD1 LEU 32 HD11 LEU 32 -7.980 -6.641 7.900 214 2HD1 LEU 32 HD12 LEU 32 -7.266 -4.987 7.993 215 3HD1 LEU 32 HD13 LEU 32 -6.459 -6.266 7.013 216 1HD2 LEU 32 HD21 LEU 32 -7.461 -7.063 4.877 217 2HD2 LEU 32 HD22 LEU 32 -8.919 -6.285 4.177 218 3HD2 LEU 32 HD23 LEU 32 -9.084 -7.406 5.584 219 1HN NH2 33 H1 NH2 33 -13.558 -3.618 6.461 220 2HN NH2 33 H2 NH2 33 -12.788 -5.101 5.995 Start of MODEL 14 1 1H ASP 1 HT1 ASP 1 7.202 6.296 -2.431 2 2H ASP 1 HT2 ASP 1 6.728 6.931 -0.997 3 3H ASP 1 HT3 ASP 1 7.325 7.902 -2.143 4 HA ASP 1 HA ASP 1 5.463 7.647 -3.527 5 1HB ASP 1 HB2 ASP 1 4.540 5.647 -1.336 6 2HB ASP 1 HB1 ASP 1 3.452 6.260 -2.632 7 H ASP 2 HN ASP 2 2.975 8.276 -2.534 8 HA ASP 2 HA ASP 2 3.500 10.302 -0.467 9 1HB ASP 2 HB2 ASP 2 1.158 9.874 -2.467 10 2HB ASP 2 HB1 ASP 2 1.125 11.077 -1.124 11 H CYS 3 HN CYS 3 0.887 8.079 -1.596 12 HA CYS 3 HA CYS 3 1.214 6.411 0.624 13 1HB CYS 3 HB2 CYS 3 -1.251 6.096 0.953 14 2HB CYS 3 HB1 CYS 3 -0.788 7.737 1.484 15 H ILE 4 HN ILE 4 -0.028 4.400 -0.362 16 HA ILE 4 HA ILE 4 0.263 4.557 -3.275 17 HB ILE 4 HB ILE 4 0.081 2.098 -1.500 18 1HG1 ILE 4 HG12 ILE 4 2.503 3.586 -2.688 19 2HG1 ILE 4 HG11 ILE 4 2.082 3.501 -0.949 20 1HG2 ILE 4 HG21 ILE 4 0.945 0.966 -3.584 21 2HG2 ILE 4 HG22 ILE 4 0.906 2.527 -4.469 22 3HG2 ILE 4 HG23 ILE 4 -0.624 1.749 -3.911 23 1HD1 ILE 4 HD11 ILE 4 2.976 1.136 -2.696 24 2HD1 ILE 4 HD12 ILE 4 2.411 1.018 -0.978 25 3HD1 ILE 4 HD13 ILE 4 3.898 1.951 -1.391 26 H LYS 5 HN LYS 5 -1.439 3.817 -4.579 27 HA LYS 5 HA LYS 5 -3.797 5.142 -3.775 28 1HB LYS 5 HB2 LYS 5 -2.664 5.341 -6.030 29 2HB LYS 5 HB1 LYS 5 -2.967 3.591 -6.311 30 1HG LYS 5 HG2 LYS 5 -5.443 4.057 -6.392 31 2HG LYS 5 HG1 LYS 5 -5.110 5.797 -6.068 32 1HD LYS 5 HD2 LYS 5 -5.547 5.416 -8.443 33 2HD LYS 5 HD1 LYS 5 -3.856 5.985 -8.199 34 1HE LYS 5 HE2 LYS 5 -2.994 3.654 -8.534 35 2HE LYS 5 HE1 LYS 5 -4.689 3.028 -8.653 36 1HZ LYS 5 HZ1 LYS 5 -3.678 3.368 -10.775 37 2HZ LYS 5 HZ2 LYS 5 -3.422 4.949 -10.485 38 3HZ LYS 5 HZ3 LYS 5 -4.941 4.383 -10.607 39 HA HYP 6 HA HYP 6 -5.876 1.350 -2.743 40 1HB HYP 6 HB1 HYP 6 -8.139 1.818 -2.182 41 2HB HYP 6 HB2 HYP 6 -8.485 2.459 -3.831 42 1HD HYP 6 HD1 HYP 6 -6.893 4.562 -4.533 43 2HD HYP 6 HD2 HYP 6 -5.876 5.252 -3.198 44 HOD HYP 6 HOD HYP 6 -5.898 3.516 -1.603 45 HG HYP 6 HG HYP 6 -8.383 4.528 -2.468 46 H TYR 7 HN TYR 7 -6.087 -0.622 -3.908 47 HA TYR 7 HA TYR 7 -5.995 -1.964 -5.508 48 1HB TYR 7 HB2 TYR 7 -7.421 -0.058 -7.429 49 2HB TYR 7 HB1 TYR 7 -7.257 -1.848 -7.586 50 HD1 TYR 7 HD1 TYR 7 -8.083 -3.187 -5.346 51 HD2 TYR 7 HD2 TYR 7 -9.414 0.722 -6.549 52 HE1 TYR 7 HE1 TYR 7 -10.107 -3.452 -3.966 53 HE2 TYR 7 HE2 TYR 7 -11.440 0.459 -5.195 54 HH TYR 7 HH TYR 7 -12.615 -0.892 -3.804 55 H GLY 8 HN GLY 8 -3.972 0.443 -5.229 56 1HA GLY 8 HA2 GLY 8 -2.623 0.032 -7.792 57 2HA GLY 8 HA1 GLY 8 -2.156 1.085 -6.386 58 H PHE 9 HN PHE 9 -0.209 -0.743 -7.483 59 HA PHE 9 HA PHE 9 -0.316 -3.113 -5.816 60 1HB PHE 9 HB2 PHE 9 0.452 -3.066 -8.323 61 2HB PHE 9 HB1 PHE 9 1.925 -2.210 -7.749 62 HD1 PHE 9 HD1 PHE 9 -0.177 -5.273 -6.958 63 HD2 PHE 9 HD2 PHE 9 3.774 -3.608 -7.326 64 HE1 PHE 9 HE1 PHE 9 0.800 -7.509 -6.596 65 HE2 PHE 9 HE2 PHE 9 4.746 -5.852 -6.968 66 HZ PHE 9 HZ PHE 9 3.261 -7.809 -6.607 67 H CYS 10 HN CYS 10 1.163 -3.395 -3.984 68 HA CYS 10 HA CYS 10 2.642 -0.948 -3.294 69 1HB CYS 10 HB2 CYS 10 1.770 -1.157 -0.927 70 2HB CYS 10 HB1 CYS 10 0.509 -0.712 -2.109 71 H SER 11 HN SER 11 4.440 -1.345 -1.806 72 HA SER 11 HA SER 11 4.638 -3.233 -0.073 73 1HB SER 11 HB2 SER 11 6.728 -4.575 -1.157 74 2HB SER 11 HB1 SER 11 5.053 -5.194 -1.340 75 HG SER 11 HG SER 11 4.893 -4.302 -3.278 76 H LEU 12 HN LEU 12 7.461 -3.147 0.199 77 HA LEU 12 HA LEU 12 8.541 -1.018 -1.208 78 1HB LEU 12 HB2 LEU 12 7.709 0.156 0.954 79 2HB LEU 12 HB1 LEU 12 8.548 -1.098 1.902 80 HG LEU 12 HG LEU 12 10.753 -0.308 0.931 81 1HD1 LEU 12 HD11 LEU 12 9.035 1.949 -0.290 82 2HD1 LEU 12 HD12 LEU 12 9.991 0.728 -1.199 83 3HD1 LEU 12 HD13 LEU 12 10.837 1.953 -0.188 84 1HD2 LEU 12 HD21 LEU 12 10.885 1.775 2.298 85 2HD2 LEU 12 HD22 LEU 12 9.979 0.476 3.152 86 3HD2 LEU 12 HD23 LEU 12 9.086 1.840 2.391 87 HA PRO 13 HA PRO 13 10.462 -4.891 -0.978 88 1HB PRO 13 HB2 PRO 13 13.268 -3.617 -0.906 89 2HB PRO 13 HB1 PRO 13 12.701 -5.000 -1.926 90 1HG PRO 13 HG1 PRO 13 12.816 -2.488 -3.001 91 2HG PRO 13 HG2 PRO 13 11.360 -3.526 -3.306 92 1HD PRO 13 HD1 PRO 13 11.642 -1.206 -1.322 93 2HD PRO 13 HD2 PRO 13 10.233 -1.690 -2.375 94 H ILE 14 HN ILE 14 11.906 -2.740 1.469 95 HA ILE 14 HA ILE 14 12.967 -4.973 2.918 96 HB ILE 14 HB ILE 14 14.263 -2.980 2.760 97 1HG1 ILE 14 HG12 ILE 14 13.322 -3.381 5.664 98 2HG1 ILE 14 HG11 ILE 14 14.448 -4.456 4.772 99 1HG2 ILE 14 HG21 ILE 14 12.364 -1.297 2.575 100 2HG2 ILE 14 HG22 ILE 14 13.632 -0.828 3.741 101 3HG2 ILE 14 HG23 ILE 14 12.082 -1.495 4.349 102 1HD1 ILE 14 HD11 ILE 14 16.039 -2.512 4.452 103 2HD1 ILE 14 HD12 ILE 14 15.735 -2.893 6.185 104 3HD1 ILE 14 HD13 ILE 14 14.936 -1.470 5.429 105 H LEU 15 HN LEU 15 10.014 -2.974 3.046 106 HA LEU 15 HA LEU 15 9.387 -4.164 5.666 107 1HB LEU 15 HB2 LEU 15 7.889 -1.947 4.160 108 2HB LEU 15 HB1 LEU 15 7.550 -2.535 5.821 109 HG LEU 15 HG LEU 15 10.069 -1.060 4.861 110 1HD1 LEU 15 HD11 LEU 15 8.033 0.376 5.018 111 2HD1 LEU 15 HD12 LEU 15 9.277 0.817 6.250 112 3HD1 LEU 15 HD13 LEU 15 7.816 -0.117 6.741 113 1HD2 LEU 15 HD21 LEU 15 10.776 -2.593 6.652 114 2HD2 LEU 15 HD22 LEU 15 9.379 -2.109 7.686 115 3HD2 LEU 15 HD23 LEU 15 10.691 -0.930 7.318 116 H LYS 16 HN LYS 16 8.673 -4.468 2.286 117 HA LYS 16 HA LYS 16 7.380 -5.702 1.130 118 1HB LYS 16 HB2 LYS 16 6.446 -7.108 3.679 119 2HB LYS 16 HB1 LYS 16 6.136 -7.672 2.006 120 1HG LYS 16 HG2 LYS 16 8.954 -7.339 3.230 121 2HG LYS 16 HG1 LYS 16 8.001 -8.856 3.238 122 1HD LYS 16 HD2 LYS 16 7.987 -8.925 0.758 123 2HD LYS 16 HD1 LYS 16 8.849 -7.351 0.677 124 1HE LYS 16 HE2 LYS 16 10.378 -9.307 0.274 125 2HE LYS 16 HE1 LYS 16 10.880 -8.305 1.696 126 1HZ LYS 16 HZ1 LYS 16 10.970 -10.655 2.114 127 2HZ LYS 16 HZ2 LYS 16 9.371 -10.825 1.860 128 3HZ LYS 16 HZ3 LYS 16 9.911 -9.925 3.106 129 H ASN 17 HN ASN 17 6.333 -3.157 2.761 130 HA ASN 17 HA ASN 17 3.582 -3.373 1.992 131 1HB ASN 17 HB2 ASN 17 4.578 -2.712 4.884 132 2HB ASN 17 HB1 ASN 17 2.928 -2.345 4.253 133 1HD2 ASN 17 HD21 ASN 17 5.210 -5.081 5.073 134 2HD2 ASN 17 HD22 ASN 17 3.924 -6.239 5.280 135 H GLY 18 HN GLY 18 2.941 -0.948 1.830 136 1HA GLY 18 HA2 GLY 18 4.884 0.900 2.619 137 2HA GLY 18 HA1 GLY 18 4.508 0.785 0.810 138 H LEU 19 HN LEU 19 3.418 2.948 2.617 139 HA LEU 19 HA LEU 19 1.062 2.010 3.823 140 1HB LEU 19 HB2 LEU 19 2.025 4.864 3.209 141 2HB LEU 19 HB1 LEU 19 0.581 4.502 4.209 142 HG LEU 19 HG LEU 19 3.405 3.499 4.910 143 1HD1 LEU 19 HD11 LEU 19 3.513 5.367 6.560 144 2HD1 LEU 19 HD12 LEU 19 1.975 6.042 5.903 145 3HD1 LEU 19 HD13 LEU 19 3.449 5.968 4.865 146 1HD2 LEU 19 HD21 LEU 19 1.515 2.212 5.967 147 2HD2 LEU 19 HD22 LEU 19 0.838 3.748 6.612 148 3HD2 LEU 19 HD23 LEU 19 2.445 3.155 7.183 149 H CYS 20 HN CYS 20 -0.878 1.625 2.895 150 HA CYS 20 HA CYS 20 -1.457 2.775 0.295 151 1HB CYS 20 HB2 CYS 20 -2.857 0.721 2.100 152 2HB CYS 20 HB1 CYS 20 -3.566 1.319 0.568 153 H CYS 21 HN CYS 21 -3.249 4.190 -0.019 154 HA CYS 21 HA CYS 21 -3.927 5.751 2.290 155 1HB CYS 21 HB2 CYS 21 -4.544 5.949 -0.650 156 2HB CYS 21 HB1 CYS 21 -5.804 6.601 0.430 157 H SER 22 HN SER 22 -5.282 2.786 1.012 158 HA SER 22 HA SER 22 -7.838 3.268 2.214 159 1HB SER 22 HB2 SER 22 -8.086 0.764 1.589 160 2HB SER 22 HB1 SER 22 -7.817 1.894 0.214 161 HG SER 22 HG SER 22 -6.365 -0.189 1.021 162 H GLY 23 HN GLY 23 -4.625 2.089 3.088 163 1HA GLY 23 HA2 GLY 23 -4.234 1.877 5.412 164 2HA GLY 23 HA1 GLY 23 -5.744 0.891 5.548 165 H ALA 24 HN ALA 24 -5.813 -1.059 3.955 166 HA ALA 24 HA ALA 24 -3.526 -2.548 4.807 167 1HB ALA 24 HB1 ALA 24 -5.931 -3.504 3.150 168 2HB ALA 24 HB2 ALA 24 -5.797 -3.586 4.947 169 3HB ALA 24 HB3 ALA 24 -4.687 -4.555 3.918 170 H CYS 25 HN CYS 25 -2.039 -3.726 3.512 171 HA CYS 25 HA CYS 25 -1.982 -3.101 0.673 172 1HB CYS 25 HB2 CYS 25 0.010 -1.906 1.734 173 2HB CYS 25 HB1 CYS 25 0.369 -3.367 2.700 174 H VAL 26 HN VAL 26 -2.192 -5.163 -0.283 175 HA VAL 26 HA VAL 26 -1.416 -7.486 1.284 176 HB VAL 26 HB VAL 26 -3.717 -7.038 1.985 177 1HG1 VAL 26 HG11 VAL 26 -5.614 -7.005 0.401 178 2HG1 VAL 26 HG12 VAL 26 -4.497 -7.120 -1.003 179 3HG1 VAL 26 HG13 VAL 26 -4.484 -5.651 0.042 180 1HG2 VAL 26 HG21 VAL 26 -3.599 -9.440 0.058 181 2HG2 VAL 26 HG22 VAL 26 -4.742 -9.207 1.427 182 3HG2 VAL 26 HG23 VAL 26 -2.982 -9.397 1.753 183 H GLY 27 HN GLY 27 -0.023 -6.159 -0.636 184 1HA GLY 27 HA2 GLY 27 1.106 -6.841 -2.484 185 2HA GLY 27 HA1 GLY 27 -0.287 -7.882 -2.995 186 H VAL 28 HN VAL 28 -2.425 -6.401 -3.066 187 HA VAL 28 HA VAL 28 -1.774 -3.911 -4.494 188 HB VAL 28 HB VAL 28 -4.181 -3.788 -5.079 189 1HG1 VAL 28 HG11 VAL 28 -2.498 -4.662 -6.674 190 2HG1 VAL 28 HG12 VAL 28 -4.052 -5.553 -6.866 191 3HG1 VAL 28 HG13 VAL 28 -2.670 -6.328 -6.001 192 1HG2 VAL 28 HG21 VAL 28 -5.098 -5.211 -3.202 193 2HG2 VAL 28 HG22 VAL 28 -4.325 -6.670 -3.922 194 3HG2 VAL 28 HG23 VAL 28 -5.622 -5.805 -4.815 195 H CYS 29 HN CYS 29 -3.044 -2.035 -3.688 196 HA CYS 29 HA CYS 29 -3.362 -2.095 -0.797 197 1HB CYS 29 HB2 CYS 29 -4.114 -0.017 -2.922 198 2HB CYS 29 HB1 CYS 29 -4.391 0.237 -1.170 199 H ALA 30 HN ALA 30 -5.315 -2.305 0.333 200 HA ALA 30 HA ALA 30 -7.770 -2.321 -1.183 201 1HB ALA 30 HB1 ALA 30 -8.375 -4.689 -0.633 202 2HB ALA 30 HB2 ALA 30 -6.798 -4.912 0.222 203 3HB ALA 30 HB3 ALA 30 -6.846 -4.704 -1.563 204 H ASP 31 HN ASP 31 -9.197 -3.743 0.863 205 HA ASP 31 HA ASP 31 -8.440 -3.104 3.413 206 1HB ASP 31 HB2 ASP 31 -10.555 -1.725 3.954 207 2HB ASP 31 HB1 ASP 31 -9.278 -0.804 3.095 208 H LEU 32 HN LEU 32 -10.771 -4.152 4.568 209 HA LEU 32 HA LEU 32 -12.229 -5.600 2.632 210 1HB LEU 32 HB2 LEU 32 -10.879 -6.984 5.084 211 2HB LEU 32 HB1 LEU 32 -12.257 -7.629 4.139 212 HG LEU 32 HG LEU 32 -10.601 -7.442 2.074 213 1HD1 LEU 32 HD11 LEU 32 -8.236 -7.963 2.590 214 2HD1 LEU 32 HD12 LEU 32 -8.551 -7.808 4.361 215 3HD1 LEU 32 HD13 LEU 32 -8.673 -6.370 3.286 216 1HD2 LEU 32 HD21 LEU 32 -10.376 -9.697 4.169 217 2HD2 LEU 32 HD22 LEU 32 -9.934 -9.815 2.425 218 3HD2 LEU 32 HD23 LEU 32 -11.648 -9.539 2.899 219 1HN NH2 33 H1 NH2 33 -14.545 -4.624 5.228 220 2HN NH2 33 H2 NH2 33 -14.372 -5.633 3.828 Start of MODEL 15 1 1H ASP 1 HT1 ASP 1 3.993 14.076 3.791 2 2H ASP 1 HT2 ASP 1 2.817 14.254 2.668 3 3H ASP 1 HT3 ASP 1 4.333 13.953 2.190 4 HA ASP 1 HA ASP 1 4.290 11.784 3.196 5 1HB ASP 1 HB2 ASP 1 1.293 12.506 3.596 6 2HB ASP 1 HB1 ASP 1 1.967 10.849 3.793 7 H ASP 2 HN ASP 2 2.462 9.979 1.946 8 HA ASP 2 HA ASP 2 1.401 10.939 -0.375 9 1HB ASP 2 HB2 ASP 2 3.966 10.749 -1.075 10 2HB ASP 2 HB1 ASP 2 3.826 9.003 -0.687 11 H CYS 3 HN CYS 3 0.876 8.224 -1.309 12 HA CYS 3 HA CYS 3 0.990 6.476 0.869 13 1HB CYS 3 HB2 CYS 3 -1.411 5.917 0.970 14 2HB CYS 3 HB1 CYS 3 -1.188 7.602 1.511 15 H ILE 4 HN ILE 4 -0.048 4.399 -0.235 16 HA ILE 4 HA ILE 4 0.583 4.548 -3.099 17 HB ILE 4 HB ILE 4 0.160 2.066 -1.390 18 1HG1 ILE 4 HG12 ILE 4 2.757 3.510 -2.194 19 2HG1 ILE 4 HG11 ILE 4 2.105 3.330 -0.531 20 1HG2 ILE 4 HG21 ILE 4 1.272 0.965 -3.396 21 2HG2 ILE 4 HG22 ILE 4 1.316 2.548 -4.239 22 3HG2 ILE 4 HG23 ILE 4 -0.254 1.745 -3.856 23 1HD1 ILE 4 HD11 ILE 4 3.088 1.011 -2.317 24 2HD1 ILE 4 HD12 ILE 4 2.365 0.846 -0.665 25 3HD1 ILE 4 HD13 ILE 4 3.926 1.723 -0.907 26 H LYS 5 HN LYS 5 -1.077 3.644 -4.535 27 HA LYS 5 HA LYS 5 -3.398 5.112 -3.927 28 1HB LYS 5 HB2 LYS 5 -2.224 5.084 -6.182 29 2HB LYS 5 HB1 LYS 5 -2.681 3.356 -6.350 30 1HG LYS 5 HG2 LYS 5 -5.153 4.108 -6.298 31 2HG LYS 5 HG1 LYS 5 -4.557 5.801 -6.265 32 1HD LYS 5 HD2 LYS 5 -5.168 5.255 -8.539 33 2HD LYS 5 HD1 LYS 5 -3.380 5.395 -8.462 34 1HE LYS 5 HE2 LYS 5 -4.055 3.467 -9.891 35 2HE LYS 5 HE1 LYS 5 -3.204 2.857 -8.422 36 1HZ LYS 5 HZ1 LYS 5 -5.130 1.592 -8.839 37 2HZ LYS 5 HZ2 LYS 5 -6.108 2.891 -8.877 38 3HZ LYS 5 HZ3 LYS 5 -5.400 2.443 -7.483 39 HA HYP 6 HA HYP 6 -5.754 1.497 -2.757 40 1HB HYP 6 HB1 HYP 6 -8.047 2.139 -2.339 41 2HB HYP 6 HB2 HYP 6 -8.139 3.055 -3.890 42 1HD HYP 6 HD1 HYP 6 -6.258 5.032 -4.188 43 2HD HYP 6 HD2 HYP 6 -5.162 5.200 -2.749 44 HOD HYP 6 HOD HYP 6 -6.664 2.905 -0.888 45 HG HYP 6 HG HYP 6 -7.818 4.877 -2.275 46 H TYR 7 HN TYR 7 -5.931 -0.418 -3.934 47 HA TYR 7 HA TYR 7 -5.987 -1.777 -5.511 48 1HB TYR 7 HB2 TYR 7 -7.977 0.057 -6.950 49 2HB TYR 7 HB1 TYR 7 -7.641 -1.671 -7.375 50 HD1 TYR 7 HD1 TYR 7 -7.876 -3.429 -5.510 51 HD2 TYR 7 HD2 TYR 7 -9.453 0.548 -5.114 52 HE1 TYR 7 HE1 TYR 7 -9.223 -4.158 -3.577 53 HE2 TYR 7 HE2 TYR 7 -10.798 -0.166 -3.181 54 HH TYR 7 HH TYR 7 -11.318 -1.907 -1.749 55 H GLY 8 HN GLY 8 -3.968 0.288 -5.407 56 1HA GLY 8 HA2 GLY 8 -2.836 -0.236 -8.065 57 2HA GLY 8 HA1 GLY 8 -2.256 0.950 -6.802 58 H PHE 9 HN PHE 9 -0.396 -0.992 -7.628 59 HA PHE 9 HA PHE 9 -0.657 -3.308 -5.952 60 1HB PHE 9 HB2 PHE 9 1.760 -2.395 -7.635 61 2HB PHE 9 HB1 PHE 9 1.557 -4.000 -6.830 62 HD1 PHE 9 HD1 PHE 9 -0.361 -5.496 -7.522 63 HD2 PHE 9 HD2 PHE 9 0.742 -1.997 -9.769 64 HE1 PHE 9 HE1 PHE 9 -1.592 -6.362 -9.485 65 HE2 PHE 9 HE2 PHE 9 -0.496 -2.864 -11.725 66 HZ PHE 9 HZ PHE 9 -1.655 -5.052 -11.593 67 H CYS 10 HN CYS 10 1.103 -3.876 -4.278 68 HA CYS 10 HA CYS 10 2.894 -1.894 -3.603 69 1HB CYS 10 HB2 CYS 10 2.335 -1.510 -1.230 70 2HB CYS 10 HB1 CYS 10 1.070 -0.814 -2.278 71 H SER 11 HN SER 11 3.570 -3.341 -1.034 72 HA SER 11 HA SER 11 3.578 -6.044 -1.686 73 1HB SER 11 HB2 SER 11 6.296 -5.870 -1.874 74 2HB SER 11 HB1 SER 11 5.263 -5.789 -3.344 75 HG SER 11 HG SER 11 6.360 -3.574 -1.911 76 H LEU 12 HN LEU 12 5.493 -6.768 0.067 77 HA LEU 12 HA LEU 12 4.541 -5.427 2.455 78 1HB LEU 12 HB2 LEU 12 6.077 -8.073 2.007 79 2HB LEU 12 HB1 LEU 12 5.441 -7.530 3.585 80 HG LEU 12 HG LEU 12 3.794 -8.274 1.094 81 1HD1 LEU 12 HD11 LEU 12 4.824 -10.231 2.231 82 2HD1 LEU 12 HD12 LEU 12 3.035 -10.215 2.436 83 3HD1 LEU 12 HD13 LEU 12 4.104 -9.717 3.802 84 1HD2 LEU 12 HD21 LEU 12 2.792 -7.365 3.874 85 2HD2 LEU 12 HD22 LEU 12 1.771 -8.065 2.569 86 3HD2 LEU 12 HD23 LEU 12 2.579 -6.486 2.311 87 HA PRO 13 HA PRO 13 8.498 -3.628 3.103 88 1HB PRO 13 HB2 PRO 13 8.978 -3.836 5.887 89 2HB PRO 13 HB1 PRO 13 7.756 -2.761 5.141 90 1HG PRO 13 HG1 PRO 13 7.325 -5.590 6.247 91 2HG PRO 13 HG2 PRO 13 6.379 -4.089 6.628 92 1HD PRO 13 HD1 PRO 13 5.473 -5.853 4.766 93 2HD PRO 13 HD2 PRO 13 5.384 -4.072 4.405 94 H ILE 14 HN ILE 14 8.739 -6.319 2.197 95 HA ILE 14 HA ILE 14 11.432 -6.910 3.220 96 HB ILE 14 HB ILE 14 9.981 -8.873 3.376 97 1HG1 ILE 14 HG12 ILE 14 11.196 -10.501 1.987 98 2HG1 ILE 14 HG11 ILE 14 11.891 -9.186 0.982 99 1HG2 ILE 14 HG21 ILE 14 8.221 -8.242 1.755 100 2HG2 ILE 14 HG22 ILE 14 8.883 -9.861 1.367 101 3HG2 ILE 14 HG23 ILE 14 9.368 -8.443 0.377 102 1HD1 ILE 14 HD11 ILE 14 13.483 -10.078 2.748 103 2HD1 ILE 14 HD12 ILE 14 12.359 -9.493 4.029 104 3HD1 ILE 14 HD13 ILE 14 13.173 -8.317 2.927 105 H LEU 15 HN LEU 15 9.368 -5.382 0.902 106 HA LEU 15 HA LEU 15 11.661 -4.872 -0.805 107 1HB LEU 15 HB2 LEU 15 8.762 -5.424 -1.739 108 2HB LEU 15 HB1 LEU 15 10.069 -4.775 -2.802 109 HG LEU 15 HG LEU 15 10.183 -7.526 -1.445 110 1HD1 LEU 15 HD11 LEU 15 9.589 -8.488 -3.667 111 2HD1 LEU 15 HD12 LEU 15 9.297 -6.830 -4.318 112 3HD1 LEU 15 HD13 LEU 15 8.258 -7.480 -2.997 113 1HD2 LEU 15 HD21 LEU 15 11.871 -6.294 -3.716 114 2HD2 LEU 15 HD22 LEU 15 11.968 -7.995 -3.133 115 3HD2 LEU 15 HD23 LEU 15 12.423 -6.650 -2.034 116 H LYS 16 HN LYS 16 9.247 -3.226 -2.100 117 HA LYS 16 HA LYS 16 9.617 -1.044 -0.198 118 1HB LYS 16 HB2 LYS 16 8.510 0.394 -1.870 119 2HB LYS 16 HB1 LYS 16 9.923 -0.442 -2.593 120 1HG LYS 16 HG2 LYS 16 8.343 -2.151 -3.621 121 2HG LYS 16 HG1 LYS 16 6.961 -1.228 -2.944 122 1HD LYS 16 HD2 LYS 16 7.772 0.812 -4.252 123 2HD LYS 16 HD1 LYS 16 8.962 -0.259 -5.072 124 1HE LYS 16 HE2 LYS 16 5.871 -0.517 -5.107 125 2HE LYS 16 HE1 LYS 16 6.928 0.000 -6.481 126 1HZ LYS 16 HZ1 LYS 16 6.936 -2.651 -5.202 127 2HZ LYS 16 HZ2 LYS 16 7.880 -2.195 -6.447 128 3HZ LYS 16 HZ3 LYS 16 6.267 -2.278 -6.638 129 H ASN 17 HN ASN 17 7.668 -0.066 0.723 130 HA ASN 17 HA ASN 17 5.180 -1.142 0.019 131 1HB ASN 17 HB2 ASN 17 4.319 -1.802 2.157 132 2HB ASN 17 HB1 ASN 17 5.806 -2.757 1.922 133 1HD2 ASN 17 HD21 ASN 17 4.136 -1.393 4.327 134 2HD2 ASN 17 HD22 ASN 17 5.441 -0.958 5.395 135 H GLY 18 HN GLY 18 3.739 0.390 1.954 136 1HA GLY 18 HA2 GLY 18 4.935 2.641 2.808 137 2HA GLY 18 HA1 GLY 18 4.154 2.941 1.164 138 H LEU 19 HN LEU 19 2.507 4.045 2.905 139 HA LEU 19 HA LEU 19 0.749 2.002 4.031 140 1HB LEU 19 HB2 LEU 19 1.444 3.957 5.491 141 2HB LEU 19 HB1 LEU 19 0.788 5.083 4.256 142 HG LEU 19 HG LEU 19 -1.504 4.228 4.666 143 1HD1 LEU 19 HD11 LEU 19 -2.023 2.758 6.620 144 2HD1 LEU 19 HD12 LEU 19 -0.264 2.476 6.887 145 3HD1 LEU 19 HD13 LEU 19 -1.063 1.879 5.385 146 1HD2 LEU 19 HD21 LEU 19 -1.842 5.253 6.881 147 2HD2 LEU 19 HD22 LEU 19 -0.652 6.193 5.913 148 3HD2 LEU 19 HD23 LEU 19 -0.082 5.117 7.248 149 H CYS 20 HN CYS 20 -1.385 1.832 3.099 150 HA CYS 20 HA CYS 20 -1.643 3.095 0.469 151 1HB CYS 20 HB2 CYS 20 -3.373 1.000 1.908 152 2HB CYS 20 HB1 CYS 20 -3.691 1.656 0.274 153 H CYS 21 HN CYS 21 -3.567 4.533 0.136 154 HA CYS 21 HA CYS 21 -4.131 6.028 2.474 155 1HB CYS 21 HB2 CYS 21 -5.239 6.088 -0.366 156 2HB CYS 21 HB1 CYS 21 -6.097 6.968 0.927 157 H SER 22 HN SER 22 -5.789 3.309 0.941 158 HA SER 22 HA SER 22 -7.996 3.430 2.789 159 1HB SER 22 HB2 SER 22 -8.609 1.262 1.503 160 2HB SER 22 HB1 SER 22 -8.580 2.792 0.560 161 HG SER 22 HG SER 22 -6.887 0.587 0.525 162 H GLY 23 HN GLY 23 -4.840 2.769 3.366 163 1HA GLY 23 HA2 GLY 23 -4.120 2.010 5.277 164 2HA GLY 23 HA1 GLY 23 -5.645 1.087 5.554 165 H ALA 24 HN ALA 24 -5.899 -0.731 3.725 166 HA ALA 24 HA ALA 24 -3.839 -2.449 4.742 167 1HB ALA 24 HB1 ALA 24 -5.161 -4.340 3.806 168 2HB ALA 24 HB2 ALA 24 -6.227 -3.172 2.940 169 3HB ALA 24 HB3 ALA 24 -6.226 -3.229 4.741 170 H CYS 25 HN CYS 25 -2.396 -3.843 3.528 171 HA CYS 25 HA CYS 25 -2.001 -3.202 0.772 172 1HB CYS 25 HB2 CYS 25 -0.419 -1.601 2.010 173 2HB CYS 25 HB1 CYS 25 0.140 -2.973 3.006 174 H VAL 26 HN VAL 26 -1.009 -5.102 -0.061 175 HA VAL 26 HA VAL 26 -0.139 -7.262 1.314 176 HB VAL 26 HB VAL 26 -2.502 -7.748 1.831 177 1HG1 VAL 26 HG11 VAL 26 -3.122 -7.564 -1.191 178 2HG1 VAL 26 HG12 VAL 26 -3.598 -6.374 0.073 179 3HG1 VAL 26 HG13 VAL 26 -4.239 -8.050 0.128 180 1HG2 VAL 26 HG21 VAL 26 -1.500 -9.649 -0.389 181 2HG2 VAL 26 HG22 VAL 26 -2.644 -10.008 0.943 182 3HG2 VAL 26 HG23 VAL 26 -0.930 -9.617 1.321 183 H GLY 27 HN GLY 27 -1.085 -8.436 -1.675 184 1HA GLY 27 HA2 GLY 27 1.103 -7.096 -2.919 185 2HA GLY 27 HA1 GLY 27 -0.075 -8.241 -3.665 186 H VAL 28 HN VAL 28 -1.879 -5.769 -2.264 187 HA VAL 28 HA VAL 28 -1.703 -3.911 -4.362 188 HB VAL 28 HB VAL 28 -4.226 -3.945 -4.773 189 1HG1 VAL 28 HG11 VAL 28 -2.633 -6.351 -5.875 190 2HG1 VAL 28 HG12 VAL 28 -2.598 -4.665 -6.508 191 3HG1 VAL 28 HG13 VAL 28 -4.118 -5.628 -6.599 192 1HG2 VAL 28 HG21 VAL 28 -5.445 -6.101 -4.420 193 2HG2 VAL 28 HG22 VAL 28 -4.865 -5.443 -2.855 194 3HG2 VAL 28 HG23 VAL 28 -3.999 -6.824 -3.634 195 H CYS 29 HN CYS 29 -3.069 -2.096 -3.653 196 HA CYS 29 HA CYS 29 -3.323 -2.022 -0.739 197 1HB CYS 29 HB2 CYS 29 -3.902 -0.027 -3.003 198 2HB CYS 29 HB1 CYS 29 -4.308 0.323 -1.294 199 H ALA 30 HN ALA 30 -5.328 -2.170 0.286 200 HA ALA 30 HA ALA 30 -7.713 -2.156 -1.379 201 1HB ALA 30 HB1 ALA 30 -7.070 -4.539 0.498 202 2HB ALA 30 HB2 ALA 30 -7.035 -4.633 -1.298 203 3HB ALA 30 HB3 ALA 30 -8.584 -4.303 -0.467 204 H ASP 31 HN ASP 31 -9.154 -3.244 1.080 205 HA ASP 31 HA ASP 31 -8.430 -1.470 3.162 206 1HB ASP 31 HB2 ASP 31 -11.016 -0.980 3.452 207 2HB ASP 31 HB1 ASP 31 -10.107 0.058 2.315 208 H LEU 32 HN LEU 32 -9.752 -2.595 5.089 209 HA LEU 32 HA LEU 32 -10.748 -5.143 4.553 210 1HB LEU 32 HB2 LEU 32 -8.152 -4.715 6.221 211 2HB LEU 32 HB1 LEU 32 -9.198 -6.163 6.375 212 HG LEU 32 HG LEU 32 -7.668 -5.357 3.830 213 1HD1 LEU 32 HD11 LEU 32 -6.079 -7.186 4.387 214 2HD1 LEU 32 HD12 LEU 32 -6.943 -7.489 5.943 215 3HD1 LEU 32 HD13 LEU 32 -6.095 -5.920 5.667 216 1HD2 LEU 32 HD21 LEU 32 -9.140 -7.988 4.504 217 2HD2 LEU 32 HD22 LEU 32 -8.135 -7.673 3.040 218 3HD2 LEU 32 HD23 LEU 32 -9.653 -6.749 3.293 219 1HN NH2 33 H1 NH2 33 -11.541 -5.590 7.025 220 2HN NH2 33 H2 NH2 33 -11.853 -4.159 7.953 Start of MODEL 16 1 1H ASP 1 HT1 ASP 1 0.568 15.641 1.849 2 2H ASP 1 HT2 ASP 1 -0.236 14.901 0.634 3 3H ASP 1 HT3 ASP 1 1.338 15.231 0.457 4 HA ASP 1 HA ASP 1 1.913 13.717 2.217 5 1HB ASP 1 HB2 ASP 1 -1.092 12.944 1.974 6 2HB ASP 1 HB1 ASP 1 0.142 11.985 2.862 7 H ASP 2 HN ASP 2 1.264 10.943 1.482 8 HA ASP 2 HA ASP 2 1.009 10.774 -1.292 9 1HB ASP 2 HB2 ASP 2 3.675 9.990 0.134 10 2HB ASP 2 HB1 ASP 2 3.194 9.427 -1.507 11 H CYS 3 HN CYS 3 1.003 8.147 -1.448 12 HA CYS 3 HA CYS 3 1.151 6.649 0.797 13 1HB CYS 3 HB2 CYS 3 -1.288 5.928 0.914 14 2HB CYS 3 HB1 CYS 3 -1.074 7.588 1.531 15 H ILE 4 HN ILE 4 -0.103 4.515 -0.294 16 HA ILE 4 HA ILE 4 0.473 4.633 -3.164 17 HB ILE 4 HB ILE 4 0.085 2.206 -1.360 18 1HG1 ILE 4 HG12 ILE 4 2.612 3.670 -2.356 19 2HG1 ILE 4 HG11 ILE 4 2.089 3.425 -0.656 20 1HG2 ILE 4 HG21 ILE 4 1.122 2.490 -4.279 21 2HG2 ILE 4 HG22 ILE 4 -0.477 1.798 -3.799 22 3HG2 ILE 4 HG23 ILE 4 1.017 0.967 -3.330 23 1HD1 ILE 4 HD11 ILE 4 3.901 1.890 -1.140 24 2HD1 ILE 4 HD12 ILE 4 3.081 1.247 -2.592 25 3HD1 ILE 4 HD13 ILE 4 2.382 0.927 -0.950 26 H LYS 5 HN LYS 5 -1.156 3.706 -4.516 27 HA LYS 5 HA LYS 5 -3.541 5.115 -4.052 28 1HB LYS 5 HB2 LYS 5 -2.242 4.968 -6.259 29 2HB LYS 5 HB1 LYS 5 -2.671 3.228 -6.337 30 1HG LYS 5 HG2 LYS 5 -4.101 4.309 -7.854 31 2HG LYS 5 HG1 LYS 5 -5.149 3.940 -6.455 32 1HD LYS 5 HD2 LYS 5 -4.940 6.355 -5.711 33 2HD LYS 5 HD1 LYS 5 -3.812 6.655 -7.083 34 1HE LYS 5 HE2 LYS 5 -5.633 6.026 -8.724 35 2HE LYS 5 HE1 LYS 5 -6.782 5.820 -7.345 36 1HZ LYS 5 HZ1 LYS 5 -6.915 7.953 -8.408 37 2HZ LYS 5 HZ2 LYS 5 -5.376 8.320 -8.033 38 3HZ LYS 5 HZ3 LYS 5 -6.481 8.127 -6.850 39 HA HYP 6 HA HYP 6 -5.731 1.387 -2.816 40 1HB HYP 6 HB1 HYP 6 -8.020 1.973 -2.298 41 2HB HYP 6 HB2 HYP 6 -8.185 2.924 -3.821 42 1HD HYP 6 HD1 HYP 6 -6.360 4.963 -4.116 43 2HD HYP 6 HD2 HYP 6 -5.214 5.093 -2.715 44 HOD HYP 6 HOD HYP 6 -6.621 2.738 -0.857 45 HG HYP 6 HG HYP 6 -7.851 4.705 -2.152 46 H TYR 7 HN TYR 7 -6.065 -0.506 -4.020 47 HA TYR 7 HA TYR 7 -6.129 -1.814 -5.673 48 1HB TYR 7 HB2 TYR 7 -7.976 0.203 -7.051 49 2HB TYR 7 HB1 TYR 7 -7.516 -1.378 -7.784 50 HD1 TYR 7 HD1 TYR 7 -8.260 -3.486 -6.862 51 HD2 TYR 7 HD2 TYR 7 -9.386 0.213 -4.979 52 HE1 TYR 7 HE1 TYR 7 -10.045 -4.657 -5.634 53 HE2 TYR 7 HE2 TYR 7 -11.146 -0.955 -3.725 54 HH TYR 7 HH TYR 7 -12.147 -2.963 -3.284 55 H GLY 8 HN GLY 8 -3.956 0.120 -5.356 56 1HA GLY 8 HA2 GLY 8 -2.784 -0.397 -8.005 57 2HA GLY 8 HA1 GLY 8 -2.281 0.913 -6.838 58 H PHE 9 HN PHE 9 -0.312 -1.042 -7.518 59 HA PHE 9 HA PHE 9 -0.484 -3.087 -5.472 60 1HB PHE 9 HB2 PHE 9 1.926 -3.649 -6.476 61 2HB PHE 9 HB1 PHE 9 0.424 -4.152 -7.314 62 HD1 PHE 9 HD1 PHE 9 2.913 -1.278 -7.256 63 HD2 PHE 9 HD2 PHE 9 0.082 -3.587 -9.538 64 HE1 PHE 9 HE1 PHE 9 3.567 -0.066 -9.305 65 HE2 PHE 9 HE2 PHE 9 0.769 -2.393 -11.587 66 HZ PHE 9 HZ PHE 9 2.509 -0.627 -11.476 67 H CYS 10 HN CYS 10 1.093 -3.308 -3.795 68 HA CYS 10 HA CYS 10 2.397 -0.751 -3.128 69 1HB CYS 10 HB2 CYS 10 2.198 -1.572 -0.696 70 2HB CYS 10 HB1 CYS 10 0.712 -0.978 -1.473 71 H SER 11 HN SER 11 4.504 -1.110 -1.796 72 HA SER 11 HA SER 11 5.786 -3.464 -1.708 73 1HB SER 11 HB2 SER 11 7.565 -2.850 -3.581 74 2HB SER 11 HB1 SER 11 6.048 -3.604 -4.158 75 HG SER 11 HG SER 11 5.271 -1.649 -4.741 76 H LEU 12 HN LEU 12 8.345 -1.813 -2.004 77 HA LEU 12 HA LEU 12 7.657 0.502 -0.328 78 1HB LEU 12 HB2 LEU 12 10.410 -0.769 -0.852 79 2HB LEU 12 HB1 LEU 12 10.073 0.674 0.160 80 HG LEU 12 HG LEU 12 9.122 -2.210 0.689 81 1HD1 LEU 12 HD11 LEU 12 10.734 -2.217 2.589 82 2HD1 LEU 12 HD12 LEU 12 11.325 -0.579 2.105 83 3HD1 LEU 12 HD13 LEU 12 11.565 -1.994 1.006 84 1HD2 LEU 12 HD21 LEU 12 7.485 -0.555 1.606 85 2HD2 LEU 12 HD22 LEU 12 8.810 0.269 2.502 86 3HD2 LEU 12 HD23 LEU 12 8.352 -1.424 2.912 87 HA PRO 13 HA PRO 13 7.991 1.176 -4.686 88 1HB PRO 13 HB2 PRO 13 6.760 3.688 -5.030 89 2HB PRO 13 HB1 PRO 13 5.864 2.165 -4.652 90 1HG PRO 13 HG1 PRO 13 6.766 4.333 -2.686 91 2HG PRO 13 HG2 PRO 13 5.154 3.523 -2.818 92 1HD PRO 13 HD1 PRO 13 7.071 2.690 -0.985 93 2HD PRO 13 HD2 PRO 13 6.004 1.490 -1.840 94 H ILE 14 HN ILE 14 9.247 3.528 -2.430 95 HA ILE 14 HA ILE 14 11.638 3.967 -3.439 96 HB ILE 14 HB ILE 14 10.856 4.973 -5.524 97 1HG1 ILE 14 HG12 ILE 14 12.034 7.079 -3.616 98 2HG1 ILE 14 HG11 ILE 14 12.934 5.758 -4.435 99 1HG2 ILE 14 HG21 ILE 14 8.579 5.734 -4.698 100 2HG2 ILE 14 HG22 ILE 14 9.458 6.948 -5.674 101 3HG2 ILE 14 HG23 ILE 14 9.391 7.138 -3.892 102 1HD1 ILE 14 HD11 ILE 14 12.200 6.732 -6.686 103 2HD1 ILE 14 HD12 ILE 14 13.263 7.811 -5.723 104 3HD1 ILE 14 HD13 ILE 14 11.493 8.134 -5.796 105 H LEU 15 HN LEU 15 8.630 5.415 -2.251 106 HA LEU 15 HA LEU 15 9.888 6.728 -0.046 107 1HB LEU 15 HB2 LEU 15 6.966 5.869 -0.479 108 2HB LEU 15 HB1 LEU 15 7.527 6.844 0.913 109 HG LEU 15 HG LEU 15 7.835 7.734 -2.018 110 1HD1 LEU 15 HD11 LEU 15 5.450 7.449 -1.559 111 2HD1 LEU 15 HD12 LEU 15 5.839 9.208 -1.564 112 3HD1 LEU 15 HD13 LEU 15 5.584 8.340 -0.002 113 1HD2 LEU 15 HD21 LEU 15 8.109 10.022 -1.026 114 2HD2 LEU 15 HD22 LEU 15 9.414 8.907 -0.493 115 3HD2 LEU 15 HD23 LEU 15 8.058 9.320 0.627 116 H LYS 16 HN LYS 16 9.636 5.978 2.207 117 HA LYS 16 HA LYS 16 10.523 3.233 2.145 118 1HB LYS 16 HB2 LYS 16 10.680 5.317 4.404 119 2HB LYS 16 HB1 LYS 16 11.652 3.816 4.247 120 1HG LYS 16 HG2 LYS 16 12.807 4.784 2.234 121 2HG LYS 16 HG1 LYS 16 11.762 6.235 2.309 122 1HD LYS 16 HD2 LYS 16 13.745 6.974 3.252 123 2HD LYS 16 HD1 LYS 16 12.679 6.683 4.665 124 1HE LYS 16 HE2 LYS 16 13.877 4.487 5.091 125 2HE LYS 16 HE1 LYS 16 14.911 4.784 3.635 126 1HZ LYS 16 HZ1 LYS 16 15.985 5.442 5.640 127 2HZ LYS 16 HZ2 LYS 16 14.792 6.474 6.042 128 3HZ LYS 16 HZ3 LYS 16 15.707 6.764 4.732 129 H ASN 17 HN ASN 17 7.791 2.942 1.898 130 HA ASN 17 HA ASN 17 7.118 1.658 4.229 131 1HB ASN 17 HB2 ASN 17 5.016 2.889 4.856 132 2HB ASN 17 HB1 ASN 17 6.463 3.872 5.215 133 1HD2 ASN 17 HD21 ASN 17 6.652 5.920 4.223 134 2HD2 ASN 17 HD22 ASN 17 5.467 6.574 3.134 135 H GLY 18 HN GLY 18 4.476 1.181 3.647 136 1HA GLY 18 HA2 GLY 18 4.231 1.136 0.756 137 2HA GLY 18 HA1 GLY 18 4.145 -0.402 1.709 138 H LEU 19 HN LEU 19 3.176 2.981 2.575 139 HA LEU 19 HA LEU 19 0.876 1.888 3.855 140 1HB LEU 19 HB2 LEU 19 2.243 3.838 4.792 141 2HB LEU 19 HB1 LEU 19 1.689 4.828 3.414 142 HG LEU 19 HG LEU 19 -0.691 4.589 4.186 143 1HD1 LEU 19 HD11 LEU 19 0.501 3.033 6.575 144 2HD1 LEU 19 HD12 LEU 19 -0.676 2.425 5.347 145 3HD1 LEU 19 HD13 LEU 19 -1.170 3.703 6.500 146 1HD2 LEU 19 HD21 LEU 19 0.620 6.552 4.868 147 2HD2 LEU 19 HD22 LEU 19 1.242 5.683 6.325 148 3HD2 LEU 19 HD23 LEU 19 -0.516 6.064 6.176 149 H CYS 20 HN CYS 20 -1.088 1.594 2.867 150 HA CYS 20 HA CYS 20 -1.554 2.884 0.291 151 1HB CYS 20 HB2 CYS 20 -3.185 0.831 1.892 152 2HB CYS 20 HB1 CYS 20 -3.593 1.424 0.259 153 H CYS 21 HN CYS 21 -3.464 4.295 0.025 154 HA CYS 21 HA CYS 21 -3.908 5.861 2.348 155 1HB CYS 21 HB2 CYS 21 -4.920 5.951 -0.495 156 2HB CYS 21 HB1 CYS 21 -5.967 6.710 0.729 157 H SER 22 HN SER 22 -5.705 3.157 0.936 158 HA SER 22 HA SER 22 -7.895 3.498 2.774 159 1HB SER 22 HB2 SER 22 -8.578 1.228 1.636 160 2HB SER 22 HB1 SER 22 -8.557 2.706 0.619 161 HG SER 22 HG SER 22 -6.870 0.494 0.645 162 H GLY 23 HN GLY 23 -4.743 2.599 3.214 163 1HA GLY 23 HA2 GLY 23 -4.097 2.007 5.252 164 2HA GLY 23 HA1 GLY 23 -5.570 1.000 5.508 165 H ALA 24 HN ALA 24 -5.718 -0.901 3.818 166 HA ALA 24 HA ALA 24 -3.440 -2.364 4.764 167 1HB ALA 24 HB1 ALA 24 -5.819 -3.507 3.199 168 2HB ALA 24 HB2 ALA 24 -5.797 -3.306 4.995 169 3HB ALA 24 HB3 ALA 24 -4.636 -4.424 4.198 170 H CYS 25 HN CYS 25 -2.036 -3.736 3.562 171 HA CYS 25 HA CYS 25 -1.950 -3.339 0.679 172 1HB CYS 25 HB2 CYS 25 -0.037 -2.032 1.677 173 2HB CYS 25 HB1 CYS 25 0.268 -3.339 2.850 174 H VAL 26 HN VAL 26 -2.145 -5.439 -0.187 175 HA VAL 26 HA VAL 26 -0.870 -7.586 1.216 176 HB VAL 26 HB VAL 26 -3.009 -7.713 2.317 177 1HG1 VAL 26 HG11 VAL 26 -5.139 -8.111 1.087 178 2HG1 VAL 26 HG12 VAL 26 -4.324 -7.785 -0.481 179 3HG1 VAL 26 HG13 VAL 26 -4.461 -6.479 0.756 180 1HG2 VAL 26 HG21 VAL 26 -2.767 -9.948 0.203 181 2HG2 VAL 26 HG22 VAL 26 -3.571 -10.047 1.810 182 3HG2 VAL 26 HG23 VAL 26 -1.787 -9.813 1.714 183 H GLY 27 HN GLY 27 0.196 -6.326 -0.748 184 1HA GLY 27 HA2 GLY 27 1.121 -6.956 -2.730 185 2HA GLY 27 HA1 GLY 27 -0.314 -7.991 -3.111 186 H VAL 28 HN VAL 28 -2.451 -6.684 -3.064 187 HA VAL 28 HA VAL 28 -2.098 -4.187 -4.568 188 HB VAL 28 HB VAL 28 -4.544 -4.185 -4.846 189 1HG1 VAL 28 HG11 VAL 28 -4.620 -6.104 -6.463 190 2HG1 VAL 28 HG12 VAL 28 -3.123 -6.788 -5.740 191 3HG1 VAL 28 HG13 VAL 28 -3.070 -5.192 -6.573 192 1HG2 VAL 28 HG21 VAL 28 -5.227 -5.417 -2.778 193 2HG2 VAL 28 HG22 VAL 28 -4.454 -6.928 -3.390 194 3HG2 VAL 28 HG23 VAL 28 -5.872 -6.223 -4.243 195 H CYS 29 HN CYS 29 -3.097 -2.253 -3.715 196 HA CYS 29 HA CYS 29 -3.307 -2.160 -0.815 197 1HB CYS 29 HB2 CYS 29 -3.786 -0.169 -3.101 198 2HB CYS 29 HB1 CYS 29 -4.211 0.239 -1.412 199 H ALA 30 HN ALA 30 -5.210 -2.386 0.271 200 HA ALA 30 HA ALA 30 -7.718 -2.111 -1.177 201 1HB ALA 30 HB1 ALA 30 -8.567 -4.348 -0.362 202 2HB ALA 30 HB2 ALA 30 -6.934 -4.700 0.347 203 3HB ALA 30 HB3 ALA 30 -7.152 -4.586 -1.434 204 H ASP 31 HN ASP 31 -8.725 -3.615 1.475 205 HA ASP 31 HA ASP 31 -7.655 -2.093 3.545 206 1HB ASP 31 HB2 ASP 31 -9.876 -1.323 4.436 207 2HB ASP 31 HB1 ASP 31 -9.416 -0.400 2.971 208 H LEU 32 HN LEU 32 -8.763 -3.387 5.544 209 HA LEU 32 HA LEU 32 -10.257 -5.616 4.887 210 1HB LEU 32 HB2 LEU 32 -7.392 -5.951 6.055 211 2HB LEU 32 HB1 LEU 32 -8.695 -7.147 6.332 212 HG LEU 32 HG LEU 32 -7.603 -6.429 3.550 213 1HD1 LEU 32 HD11 LEU 32 -5.779 -7.424 4.874 214 2HD1 LEU 32 HD12 LEU 32 -6.367 -8.614 3.661 215 3HD1 LEU 32 HD13 LEU 32 -6.839 -8.786 5.391 216 1HD2 LEU 32 HD21 LEU 32 -8.710 -8.530 2.809 217 2HD2 LEU 32 HD22 LEU 32 -9.912 -7.386 3.492 218 3HD2 LEU 32 HD23 LEU 32 -9.359 -8.801 4.465 219 1HN NH2 33 H1 NH2 33 -10.589 -5.038 8.546 220 2HN NH2 33 H2 NH2 33 -10.645 -6.349 7.412 Start of MODEL 17 1 1H ASP 1 HT1 ASP 1 6.909 5.773 -0.207 2 2H ASP 1 HT2 ASP 1 8.389 6.273 0.246 3 3H ASP 1 HT3 ASP 1 7.774 6.723 -1.201 4 HA ASP 1 HA ASP 1 6.939 7.580 1.456 5 1HB ASP 1 HB2 ASP 1 7.854 9.134 -1.085 6 2HB ASP 1 HB1 ASP 1 7.255 9.937 0.408 7 H ASP 2 HN ASP 2 5.210 9.605 0.926 8 HA ASP 2 HA ASP 2 3.202 10.135 0.416 9 1HB ASP 2 HB2 ASP 2 3.347 8.381 -2.099 10 2HB ASP 2 HB1 ASP 2 2.101 9.641 -1.746 11 H CYS 3 HN CYS 3 1.178 8.086 -0.983 12 HA CYS 3 HA CYS 3 1.356 5.899 0.731 13 1HB CYS 3 HB2 CYS 3 -1.051 5.829 1.342 14 2HB CYS 3 HB1 CYS 3 -0.207 7.135 2.200 15 H ILE 4 HN ILE 4 -0.072 4.284 -0.490 16 HA ILE 4 HA ILE 4 -0.030 5.078 -3.330 17 HB ILE 4 HB ILE 4 0.384 2.338 -2.069 18 1HG1 ILE 4 HG12 ILE 4 2.281 4.366 -3.434 19 2HG1 ILE 4 HG11 ILE 4 2.290 3.890 -1.706 20 1HG2 ILE 4 HG21 ILE 4 -0.747 2.064 -4.255 21 2HG2 ILE 4 HG22 ILE 4 0.973 1.675 -4.454 22 3HG2 ILE 4 HG23 ILE 4 0.373 3.260 -5.032 23 1HD1 ILE 4 HD11 ILE 4 3.021 2.090 -4.104 24 2HD1 ILE 4 HD12 ILE 4 2.861 1.512 -2.397 25 3HD1 ILE 4 HD13 ILE 4 4.112 2.739 -2.832 26 H LYS 5 HN LYS 5 -1.677 3.930 -4.616 27 HA LYS 5 HA LYS 5 -4.056 5.091 -3.552 28 1HB LYS 5 HB2 LYS 5 -2.845 5.653 -5.808 29 2HB LYS 5 HB1 LYS 5 -3.361 4.042 -6.381 30 1HG LYS 5 HG2 LYS 5 -4.797 5.680 -7.360 31 2HG LYS 5 HG1 LYS 5 -5.770 4.753 -6.187 32 1HD LYS 5 HD2 LYS 5 -6.365 7.113 -6.114 33 2HD LYS 5 HD1 LYS 5 -5.573 6.697 -4.559 34 1HE LYS 5 HE2 LYS 5 -3.481 7.818 -5.238 35 2HE LYS 5 HE1 LYS 5 -4.116 8.061 -6.920 36 1HZ LYS 5 HZ1 LYS 5 -5.683 9.560 -6.085 37 2HZ LYS 5 HZ2 LYS 5 -4.248 9.990 -5.450 38 3HZ LYS 5 HZ3 LYS 5 -5.352 9.237 -4.524 39 HA HYP 6 HA HYP 6 -5.746 1.174 -2.827 40 1HB HYP 6 HB1 HYP 6 -7.964 1.452 -2.045 41 2HB HYP 6 HB2 HYP 6 -8.517 2.067 -3.642 42 1HD HYP 6 HD1 HYP 6 -7.183 4.266 -4.479 43 2HD HYP 6 HD2 HYP 6 -6.133 5.067 -3.237 44 HOD HYP 6 HOD HYP 6 -6.837 2.826 -0.821 45 HG HYP 6 HG HYP 6 -8.492 4.147 -2.353 46 H TYR 7 HN TYR 7 -5.974 -0.792 -3.964 47 HA TYR 7 HA TYR 7 -6.119 -2.175 -5.522 48 1HB TYR 7 HB2 TYR 7 -7.621 -0.167 -7.289 49 2HB TYR 7 HB1 TYR 7 -7.300 -1.889 -7.719 50 HD1 TYR 7 HD1 TYR 7 -9.526 0.325 -5.946 51 HD2 TYR 7 HD2 TYR 7 -8.052 -3.708 -6.052 52 HE1 TYR 7 HE1 TYR 7 -11.506 -0.425 -4.690 53 HE2 TYR 7 HE2 TYR 7 -10.018 -4.470 -4.773 54 HH TYR 7 HH TYR 7 -12.531 -2.197 -3.639 55 H GLY 8 HN GLY 8 -4.094 0.408 -5.541 56 1HA GLY 8 HA2 GLY 8 -2.744 -0.412 -8.007 57 2HA GLY 8 HA1 GLY 8 -2.331 0.920 -6.843 58 H PHE 9 HN PHE 9 -0.298 -0.971 -7.651 59 HA PHE 9 HA PHE 9 -0.244 -3.170 -5.847 60 1HB PHE 9 HB2 PHE 9 2.013 -1.963 -7.581 61 2HB PHE 9 HB1 PHE 9 2.100 -3.531 -6.692 62 HD1 PHE 9 HD1 PHE 9 0.806 -1.819 -9.672 63 HD2 PHE 9 HD2 PHE 9 0.614 -5.413 -7.320 64 HE1 PHE 9 HE1 PHE 9 -0.250 -2.997 -11.567 65 HE2 PHE 9 HE2 PHE 9 -0.405 -6.603 -9.235 66 HZ PHE 9 HZ PHE 9 -0.831 -5.403 -11.369 67 H CYS 10 HN CYS 10 1.230 -3.431 -3.945 68 HA CYS 10 HA CYS 10 2.658 -1.011 -3.233 69 1HB CYS 10 HB2 CYS 10 1.880 -1.071 -0.850 70 2HB CYS 10 HB1 CYS 10 0.601 -0.585 -1.994 71 H SER 11 HN SER 11 4.197 -1.670 -1.357 72 HA SER 11 HA SER 11 5.221 -4.263 -1.929 73 1HB SER 11 HB2 SER 11 7.003 -3.085 -0.228 74 2HB SER 11 HB1 SER 11 6.870 -2.586 -1.948 75 HG SER 11 HG SER 11 6.801 -0.747 -0.810 76 H LEU 12 HN LEU 12 5.632 -2.981 1.370 77 HA LEU 12 HA LEU 12 3.242 -3.960 2.376 78 1HB LEU 12 HB2 LEU 12 5.927 -5.302 3.165 79 2HB LEU 12 HB1 LEU 12 4.521 -5.245 4.278 80 HG LEU 12 HG LEU 12 4.556 -6.649 1.548 81 1HD1 LEU 12 HD11 LEU 12 4.726 -7.889 4.367 82 2HD1 LEU 12 HD12 LEU 12 6.066 -7.778 3.159 83 3HD1 LEU 12 HD13 LEU 12 4.607 -8.780 2.803 84 1HD2 LEU 12 HD21 LEU 12 2.246 -5.978 2.090 85 2HD2 LEU 12 HD22 LEU 12 2.396 -6.651 3.762 86 3HD2 LEU 12 HD23 LEU 12 2.423 -7.746 2.335 87 HA PRO 13 HA PRO 13 5.096 -0.420 4.380 88 1HB PRO 13 HB2 PRO 13 3.805 -0.280 6.856 89 2HB PRO 13 HB1 PRO 13 2.968 0.064 5.290 90 1HG PRO 13 HG1 PRO 13 2.985 -2.571 6.866 91 2HG PRO 13 HG2 PRO 13 1.550 -1.691 6.205 92 1HD PRO 13 HD1 PRO 13 2.781 -3.796 4.857 93 2HD PRO 13 HD2 PRO 13 2.112 -2.367 3.939 94 H ILE 14 HN ILE 14 7.104 -0.111 5.530 95 HA ILE 14 HA ILE 14 7.672 -1.940 7.700 96 HB ILE 14 HB ILE 14 9.647 -1.529 5.356 97 1HG1 ILE 14 HG12 ILE 14 8.225 -4.096 6.284 98 2HG1 ILE 14 HG11 ILE 14 7.886 -3.173 4.785 99 1HG2 ILE 14 HG21 ILE 14 9.912 -2.965 8.089 100 2HG2 ILE 14 HG22 ILE 14 10.750 -1.456 7.584 101 3HG2 ILE 14 HG23 ILE 14 11.149 -2.992 6.777 102 1HD1 ILE 14 HD11 ILE 14 10.538 -4.621 5.429 103 2HD1 ILE 14 HD12 ILE 14 10.245 -3.581 3.982 104 3HD1 ILE 14 HD13 ILE 14 9.295 -5.094 4.226 105 H LEU 15 HN LEU 15 9.241 0.426 5.531 106 HA LEU 15 HA LEU 15 9.112 2.464 7.628 107 1HB LEU 15 HB2 LEU 15 11.081 2.273 5.240 108 2HB LEU 15 HB1 LEU 15 10.947 3.677 6.355 109 HG LEU 15 HG LEU 15 11.845 0.864 7.182 110 1HD1 LEU 15 HD11 LEU 15 13.527 3.390 6.611 111 2HD1 LEU 15 HD12 LEU 15 13.485 1.870 5.638 112 3HD1 LEU 15 HD13 LEU 15 14.150 1.849 7.310 113 1HD2 LEU 15 HD21 LEU 15 11.894 3.525 8.755 114 2HD2 LEU 15 HD22 LEU 15 12.626 1.973 9.291 115 3HD2 LEU 15 HD23 LEU 15 10.843 2.099 9.096 116 H LYS 16 HN LYS 16 9.183 4.603 5.766 117 HA LYS 16 HA LYS 16 6.641 4.176 4.505 118 1HB LYS 16 HB2 LYS 16 8.453 6.643 4.550 119 2HB LYS 16 HB1 LYS 16 6.788 6.600 3.882 120 1HG LYS 16 HG2 LYS 16 7.631 6.181 6.813 121 2HG LYS 16 HG1 LYS 16 6.805 7.616 6.134 122 1HD LYS 16 HD2 LYS 16 5.585 4.776 6.407 123 2HD LYS 16 HD1 LYS 16 5.366 6.158 7.511 124 1HE LYS 16 HE2 LYS 16 3.370 6.179 6.221 125 2HE LYS 16 HE1 LYS 16 4.386 7.490 5.500 126 1HZ LYS 16 HZ1 LYS 16 3.653 4.892 4.425 127 2HZ LYS 16 HZ2 LYS 16 5.073 5.533 3.968 128 3HZ LYS 16 HZ3 LYS 16 3.688 6.349 3.703 129 H ASN 17 HN ASN 17 7.763 2.427 3.235 130 HA ASN 17 HA ASN 17 8.973 3.326 0.758 131 1HB ASN 17 HB2 ASN 17 9.451 0.995 1.686 132 2HB ASN 17 HB1 ASN 17 7.728 0.570 1.421 133 1HD2 ASN 17 HD21 ASN 17 10.732 1.728 -0.348 134 2HD2 ASN 17 HD22 ASN 17 10.276 1.004 -1.858 135 H GLY 18 HN GLY 18 5.801 1.779 1.772 136 1HA GLY 18 HA2 GLY 18 4.399 3.808 0.425 137 2HA GLY 18 HA1 GLY 18 4.228 2.114 -0.260 138 H LEU 19 HN LEU 19 2.086 3.456 1.282 139 HA LEU 19 HA LEU 19 1.589 1.360 3.063 140 1HB LEU 19 HB2 LEU 19 2.462 3.059 4.757 141 2HB LEU 19 HB1 LEU 19 1.534 4.349 3.931 142 HG LEU 19 HG LEU 19 -0.607 3.311 4.592 143 1HD1 LEU 19 HD11 LEU 19 0.090 0.882 4.714 144 2HD1 LEU 19 HD12 LEU 19 -0.775 1.441 6.183 145 3HD1 LEU 19 HD13 LEU 19 1.016 1.247 6.215 146 1HD2 LEU 19 HD21 LEU 19 -0.559 3.858 6.980 147 2HD2 LEU 19 HD22 LEU 19 0.463 5.024 6.061 148 3HD2 LEU 19 HD23 LEU 19 1.236 3.704 7.024 149 H CYS 20 HN CYS 20 -0.960 1.542 2.939 150 HA CYS 20 HA CYS 20 -1.537 2.721 0.333 151 1HB CYS 20 HB2 CYS 20 -3.067 0.725 2.067 152 2HB CYS 20 HB1 CYS 20 -3.645 1.368 0.491 153 H CYS 21 HN CYS 21 -3.174 4.246 0.014 154 HA CYS 21 HA CYS 21 -3.571 5.955 2.206 155 1HB CYS 21 HB2 CYS 21 -5.188 5.920 -0.398 156 2HB CYS 21 HB1 CYS 21 -5.033 7.287 0.747 157 H SER 22 HN SER 22 -5.550 3.249 0.935 158 HA SER 22 HA SER 22 -7.724 3.872 2.724 159 1HB SER 22 HB2 SER 22 -8.548 1.566 1.762 160 2HB SER 22 HB1 SER 22 -8.482 2.981 0.661 161 HG SER 22 HG SER 22 -6.960 0.665 0.730 162 H GLY 23 HN GLY 23 -4.636 2.729 3.325 163 1HA GLY 23 HA2 GLY 23 -4.127 2.098 5.401 164 2HA GLY 23 HA1 GLY 23 -5.703 1.251 5.620 165 H ALA 24 HN ALA 24 -5.976 -0.693 3.925 166 HA ALA 24 HA ALA 24 -3.812 -2.316 4.913 167 1HB ALA 24 HB1 ALA 24 -5.143 -4.284 4.304 168 2HB ALA 24 HB2 ALA 24 -6.284 -3.259 3.355 169 3HB ALA 24 HB3 ALA 24 -6.197 -3.103 5.149 170 H CYS 25 HN CYS 25 -2.679 -4.053 3.521 171 HA CYS 25 HA CYS 25 -2.325 -3.281 0.795 172 1HB CYS 25 HB2 CYS 25 -0.641 -1.807 2.053 173 2HB CYS 25 HB1 CYS 25 -0.143 -3.225 3.006 174 H VAL 26 HN VAL 26 -1.248 -5.191 -0.131 175 HA VAL 26 HA VAL 26 -0.637 -7.475 1.196 176 HB VAL 26 HB VAL 26 -3.062 -7.853 1.466 177 1HG1 VAL 26 HG11 VAL 26 -4.632 -8.031 -0.409 178 2HG1 VAL 26 HG12 VAL 26 -3.374 -7.575 -1.602 179 3HG1 VAL 26 HG13 VAL 26 -3.923 -6.378 -0.380 180 1HG2 VAL 26 HG21 VAL 26 -3.247 -10.053 0.418 181 2HG2 VAL 26 HG22 VAL 26 -1.589 -9.791 1.067 182 3HG2 VAL 26 HG23 VAL 26 -1.894 -9.704 -0.708 183 H GLY 27 HN GLY 27 -1.312 -8.474 -1.945 184 1HA GLY 27 HA2 GLY 27 1.059 -7.239 -2.863 185 2HA GLY 27 HA1 GLY 27 -0.144 -8.167 -3.827 186 H VAL 28 HN VAL 28 -1.985 -5.846 -2.513 187 HA VAL 28 HA VAL 28 -1.476 -3.765 -4.348 188 HB VAL 28 HB VAL 28 -3.930 -3.692 -5.087 189 1HG1 VAL 28 HG11 VAL 28 -2.173 -5.952 -6.249 190 2HG1 VAL 28 HG12 VAL 28 -2.064 -4.201 -6.657 191 3HG1 VAL 28 HG13 VAL 28 -3.545 -5.126 -7.081 192 1HG2 VAL 28 HG21 VAL 28 -4.754 -5.460 -3.443 193 2HG2 VAL 28 HG22 VAL 28 -3.866 -6.715 -4.385 194 3HG2 VAL 28 HG23 VAL 28 -5.217 -5.803 -5.147 195 H CYS 29 HN CYS 29 -2.911 -2.002 -3.675 196 HA CYS 29 HA CYS 29 -3.241 -1.994 -0.817 197 1HB CYS 29 HB2 CYS 29 -3.856 0.005 -3.082 198 2HB CYS 29 HB1 CYS 29 -4.292 0.356 -1.378 199 H ALA 30 HN ALA 30 -5.152 -2.036 0.367 200 HA ALA 30 HA ALA 30 -7.626 -2.310 -1.154 201 1HB ALA 30 HB1 ALA 30 -6.701 -4.663 -1.024 202 2HB ALA 30 HB2 ALA 30 -8.173 -4.505 -0.019 203 3HB ALA 30 HB3 ALA 30 -6.538 -4.490 0.756 204 H ASP 31 HN ASP 31 -8.868 -3.395 1.388 205 HA ASP 31 HA ASP 31 -8.297 -1.521 3.397 206 1HB ASP 31 HB2 ASP 31 -10.824 -0.961 3.613 207 2HB ASP 31 HB1 ASP 31 -10.007 -0.086 2.285 208 H LEU 32 HN LEU 32 -9.509 -2.694 5.335 209 HA LEU 32 HA LEU 32 -10.586 -5.203 4.796 210 1HB LEU 32 HB2 LEU 32 -7.923 -4.866 6.380 211 2HB LEU 32 HB1 LEU 32 -9.000 -6.294 6.542 212 HG LEU 32 HG LEU 32 -7.501 -5.487 3.978 213 1HD1 LEU 32 HD11 LEU 32 -5.949 -6.169 5.828 214 2HD1 LEU 32 HD12 LEU 32 -5.958 -7.361 4.473 215 3HD1 LEU 32 HD13 LEU 32 -6.843 -7.726 6.001 216 1HD2 LEU 32 HD21 LEU 32 -9.546 -6.799 3.454 217 2HD2 LEU 32 HD22 LEU 32 -9.049 -8.080 4.625 218 3HD2 LEU 32 HD23 LEU 32 -8.064 -7.765 3.146 219 1HN NH2 33 H1 NH2 33 -11.360 -5.653 7.237 220 2HN NH2 33 H2 NH2 33 -11.605 -4.241 8.212 Start of MODEL 18 1 1H ASP 1 HT1 ASP 1 6.300 6.295 -1.550 2 2H ASP 1 HT2 ASP 1 7.265 7.596 -1.378 3 3H ASP 1 HT3 ASP 1 7.260 6.766 -2.793 4 HA ASP 1 HA ASP 1 6.031 8.810 -3.024 5 1HB ASP 1 HB2 ASP 1 4.220 6.301 -2.803 6 2HB ASP 1 HB1 ASP 1 3.594 7.877 -3.413 7 H ASP 2 HN ASP 2 3.104 8.596 -1.765 8 HA ASP 2 HA ASP 2 3.966 9.510 0.900 9 1HB ASP 2 HB2 ASP 2 3.096 11.397 -0.535 10 2HB ASP 2 HB1 ASP 2 1.558 10.497 -0.769 11 H CYS 3 HN CYS 3 0.859 8.576 -0.733 12 HA CYS 3 HA CYS 3 0.984 6.155 0.841 13 1HB CYS 3 HB2 CYS 3 -1.392 6.009 1.220 14 2HB CYS 3 HB1 CYS 3 -0.719 7.442 2.033 15 H ILE 4 HN ILE 4 -0.142 4.448 -0.251 16 HA ILE 4 HA ILE 4 0.392 4.653 -3.105 17 HB ILE 4 HB ILE 4 -0.100 2.182 -1.383 18 1HG1 ILE 4 HG12 ILE 4 2.634 3.364 -2.140 19 2HG1 ILE 4 HG11 ILE 4 1.877 3.510 -0.528 20 1HG2 ILE 4 HG21 ILE 4 1.145 1.054 -3.319 21 2HG2 ILE 4 HG22 ILE 4 1.103 2.612 -4.212 22 3HG2 ILE 4 HG23 ILE 4 -0.429 1.743 -3.793 23 1HD1 ILE 4 HD11 ILE 4 2.847 0.937 -1.878 24 2HD1 ILE 4 HD12 ILE 4 1.687 0.927 -0.485 25 3HD1 ILE 4 HD13 ILE 4 3.312 1.646 -0.286 26 H LYS 5 HN LYS 5 -1.229 4.006 -4.593 27 HA LYS 5 HA LYS 5 -3.671 5.158 -3.987 28 1HB LYS 5 HB2 LYS 5 -2.512 5.203 -6.222 29 2HB LYS 5 HB1 LYS 5 -2.776 3.431 -6.368 30 1HG LYS 5 HG2 LYS 5 -5.292 3.875 -6.441 31 2HG LYS 5 HG1 LYS 5 -4.940 5.632 -6.335 32 1HD LYS 5 HD2 LYS 5 -5.393 5.026 -8.651 33 2HD LYS 5 HD1 LYS 5 -3.672 5.501 -8.496 34 1HE LYS 5 HE2 LYS 5 -3.874 3.527 -9.980 35 2HE LYS 5 HE1 LYS 5 -3.022 3.028 -8.474 36 1HZ LYS 5 HZ1 LYS 5 -4.651 1.444 -9.014 37 2HZ LYS 5 HZ2 LYS 5 -5.839 2.548 -9.151 38 3HZ LYS 5 HZ3 LYS 5 -5.194 2.226 -7.693 39 HA HYP 6 HA HYP 6 -5.930 1.507 -2.764 40 1HB HYP 6 HB1 HYP 6 -8.295 1.991 -2.660 41 2HB HYP 6 HB2 HYP 6 -8.259 2.854 -4.248 42 1HD HYP 6 HD1 HYP 6 -6.354 5.059 -4.250 43 2HD HYP 6 HD2 HYP 6 -5.453 5.047 -2.679 44 HOD HYP 6 HOD HYP 6 -7.533 4.384 -0.791 45 HG HYP 6 HG HYP 6 -8.222 4.745 -2.715 46 H TYR 7 HN TYR 7 -6.033 -0.519 -3.786 47 HA TYR 7 HA TYR 7 -5.650 -1.959 -5.277 48 1HB TYR 7 HB2 TYR 7 -7.822 -0.514 -6.888 49 2HB TYR 7 HB1 TYR 7 -7.172 -2.151 -7.287 50 HD1 TYR 7 HD1 TYR 7 -9.488 -0.327 -5.159 51 HD2 TYR 7 HD2 TYR 7 -7.213 -3.957 -5.495 52 HE1 TYR 7 HE1 TYR 7 -10.925 -1.382 -3.450 53 HE2 TYR 7 HE2 TYR 7 -8.626 -5.016 -3.788 54 HH TYR 7 HH TYR 7 -10.452 -4.776 -2.431 55 H GLY 8 HN GLY 8 -3.820 0.294 -5.325 56 1HA GLY 8 HA2 GLY 8 -2.761 -0.250 -8.020 57 2HA GLY 8 HA1 GLY 8 -2.200 0.992 -6.809 58 H PHE 9 HN PHE 9 -0.384 -1.017 -7.773 59 HA PHE 9 HA PHE 9 -0.419 -3.274 -6.073 60 1HB PHE 9 HB2 PHE 9 2.057 -2.108 -7.502 61 2HB PHE 9 HB1 PHE 9 1.828 -3.802 -6.918 62 HD1 PHE 9 HD1 PHE 9 -0.593 -4.822 -7.893 63 HD2 PHE 9 HD2 PHE 9 1.977 -1.948 -9.810 64 HE1 PHE 9 HE1 PHE 9 -1.498 -5.473 -10.090 65 HE2 PHE 9 HE2 PHE 9 1.085 -2.628 -12.012 66 HZ PHE 9 HZ PHE 9 -0.642 -4.402 -12.162 67 H CYS 10 HN CYS 10 1.186 -3.760 -4.288 68 HA CYS 10 HA CYS 10 2.905 -1.712 -3.525 69 1HB CYS 10 HB2 CYS 10 2.232 -1.441 -1.167 70 2HB CYS 10 HB1 CYS 10 0.942 -0.822 -2.230 71 H SER 11 HN SER 11 3.847 -3.031 -1.253 72 HA SER 11 HA SER 11 4.148 -5.360 -0.611 73 1HB SER 11 HB2 SER 11 5.918 -6.431 -2.275 74 2HB SER 11 HB1 SER 11 4.180 -6.708 -2.610 75 HG SER 11 HG SER 11 4.147 -5.136 -4.055 76 H LEU 12 HN LEU 12 7.165 -4.993 -1.946 77 HA LEU 12 HA LEU 12 7.623 -2.429 -0.601 78 1HB LEU 12 HB2 LEU 12 9.408 -4.916 -0.634 79 2HB LEU 12 HB1 LEU 12 9.930 -3.296 -0.051 80 HG LEU 12 HG LEU 12 7.580 -4.879 1.147 81 1HD1 LEU 12 HD11 LEU 12 9.674 -6.181 1.429 82 2HD1 LEU 12 HD12 LEU 12 9.116 -5.511 3.004 83 3HD1 LEU 12 HD13 LEU 12 10.500 -4.742 2.139 84 1HD2 LEU 12 HD21 LEU 12 9.152 -2.444 2.232 85 2HD2 LEU 12 HD22 LEU 12 7.833 -3.327 3.089 86 3HD2 LEU 12 HD23 LEU 12 7.473 -2.420 1.584 87 HA PRO 13 HA PRO 13 9.663 -2.089 -4.645 88 1HB PRO 13 HB2 PRO 13 8.362 0.124 -5.722 89 2HB PRO 13 HB1 PRO 13 7.730 -1.555 -5.902 90 1HG PRO 13 HG1 PRO 13 6.891 0.509 -3.783 91 2HG PRO 13 HG2 PRO 13 5.824 -0.464 -4.880 92 1HD PRO 13 HD1 PRO 13 6.390 -1.259 -2.291 93 2HD PRO 13 HD2 PRO 13 6.269 -2.482 -3.636 94 H ILE 14 HN ILE 14 9.079 -0.241 -1.739 95 HA ILE 14 HA ILE 14 10.265 1.012 -0.617 96 HB ILE 14 HB ILE 14 12.489 0.943 -2.677 97 1HG1 ILE 14 HG12 ILE 14 11.774 -0.828 -0.247 98 2HG1 ILE 14 HG11 ILE 14 11.862 -1.338 -1.962 99 1HG2 ILE 14 HG21 ILE 14 12.415 1.670 0.333 100 2HG2 ILE 14 HG22 ILE 14 12.592 2.858 -1.012 101 3HG2 ILE 14 HG23 ILE 14 13.880 1.647 -0.720 102 1HD1 ILE 14 HD11 ILE 14 14.344 -0.872 -1.972 103 2HD1 ILE 14 HD12 ILE 14 13.843 -2.139 -0.795 104 3HD1 ILE 14 HD13 ILE 14 14.259 -0.493 -0.205 105 H LEU 15 HN LEU 15 10.739 2.134 -3.964 106 HA LEU 15 HA LEU 15 10.770 4.876 -3.143 107 1HB LEU 15 HB2 LEU 15 10.340 3.769 -6.001 108 2HB LEU 15 HB1 LEU 15 10.720 5.459 -5.561 109 HG LEU 15 HG LEU 15 12.712 4.639 -6.362 110 1HD1 LEU 15 HD11 LEU 15 14.343 4.595 -4.518 111 2HD1 LEU 15 HD12 LEU 15 13.060 4.203 -3.324 112 3HD1 LEU 15 HD13 LEU 15 13.051 5.799 -4.172 113 1HD2 LEU 15 HD21 LEU 15 12.109 2.212 -6.473 114 2HD2 LEU 15 HD22 LEU 15 12.571 2.025 -4.741 115 3HD2 LEU 15 HD23 LEU 15 13.803 2.513 -5.954 116 H LYS 16 HN LYS 16 8.416 2.669 -4.553 117 HA LYS 16 HA LYS 16 6.376 4.758 -4.534 118 1HB LYS 16 HB2 LYS 16 6.089 1.931 -5.648 119 2HB LYS 16 HB1 LYS 16 4.988 3.328 -5.868 120 1HG LYS 16 HG2 LYS 16 6.837 4.556 -7.095 121 2HG LYS 16 HG1 LYS 16 7.874 3.098 -6.942 122 1HD LYS 16 HD2 LYS 16 6.092 1.776 -8.203 123 2HD LYS 16 HD1 LYS 16 5.208 3.325 -8.457 124 1HE LYS 16 HE2 LYS 16 7.239 4.259 -9.665 125 2HE LYS 16 HE1 LYS 16 8.077 2.670 -9.435 126 1HZ LYS 16 HZ1 LYS 16 5.614 3.148 -10.966 127 2HZ LYS 16 HZ2 LYS 16 6.264 1.682 -10.699 128 3HZ LYS 16 HZ3 LYS 16 7.084 2.789 -11.558 129 H ASN 17 HN ASN 17 7.645 3.291 -2.052 130 HA ASN 17 HA ASN 17 5.183 2.052 -1.096 131 1HB ASN 17 HB2 ASN 17 7.960 2.292 0.134 132 2HB ASN 17 HB1 ASN 17 6.578 2.065 1.226 133 1HD2 ASN 17 HD21 ASN 17 4.914 0.231 0.437 134 2HD2 ASN 17 HD22 ASN 17 5.670 -1.250 -0.048 135 H GLY 18 HN GLY 18 4.625 2.802 1.278 136 1HA GLY 18 HA2 GLY 18 4.725 5.207 2.286 137 2HA GLY 18 HA1 GLY 18 3.430 5.235 0.970 138 H LEU 19 HN LEU 19 1.828 4.983 2.864 139 HA LEU 19 HA LEU 19 1.504 2.117 3.490 140 1HB LEU 19 HB2 LEU 19 0.117 4.646 4.602 141 2HB LEU 19 HB1 LEU 19 -0.533 2.997 4.873 142 HG LEU 19 HG LEU 19 2.295 3.825 5.731 143 1HD1 LEU 19 HD11 LEU 19 0.690 5.334 6.859 144 2HD1 LEU 19 HD12 LEU 19 1.363 4.147 8.041 145 3HD1 LEU 19 HD13 LEU 19 -0.309 3.928 7.393 146 1HD2 LEU 19 HD21 LEU 19 0.468 1.522 6.691 147 2HD2 LEU 19 HD22 LEU 19 2.152 1.863 7.245 148 3HD2 LEU 19 HD23 LEU 19 1.857 1.340 5.550 149 H CYS 20 HN CYS 20 -1.148 1.752 3.096 150 HA CYS 20 HA CYS 20 -1.535 2.779 0.371 151 1HB CYS 20 HB2 CYS 20 -2.975 0.675 2.068 152 2HB CYS 20 HB1 CYS 20 -3.635 1.291 0.526 153 H CYS 21 HN CYS 21 -3.383 4.103 -0.093 154 HA CYS 21 HA CYS 21 -3.887 5.868 2.045 155 1HB CYS 21 HB2 CYS 21 -5.505 5.755 -0.539 156 2HB CYS 21 HB1 CYS 21 -5.321 7.149 0.557 157 H SER 22 HN SER 22 -5.511 2.891 1.092 158 HA SER 22 HA SER 22 -7.991 3.501 2.370 159 1HB SER 22 HB2 SER 22 -8.248 0.942 1.800 160 2HB SER 22 HB1 SER 22 -8.058 2.054 0.397 161 HG SER 22 HG SER 22 -6.551 0.005 1.114 162 H GLY 23 HN GLY 23 -4.784 2.474 3.269 163 1HA GLY 23 HA2 GLY 23 -4.330 2.120 5.514 164 2HA GLY 23 HA1 GLY 23 -5.821 1.113 5.674 165 H ALA 24 HN ALA 24 -5.883 -0.869 4.116 166 HA ALA 24 HA ALA 24 -3.505 -2.233 4.940 167 1HB ALA 24 HB1 ALA 24 -5.898 -3.422 3.441 168 2HB ALA 24 HB2 ALA 24 -5.764 -3.307 5.237 169 3HB ALA 24 HB3 ALA 24 -4.613 -4.332 4.310 170 H CYS 25 HN CYS 25 -2.212 -3.704 3.592 171 HA CYS 25 HA CYS 25 -2.050 -3.022 0.797 172 1HB CYS 25 HB2 CYS 25 -0.227 -1.638 1.941 173 2HB CYS 25 HB1 CYS 25 0.207 -3.057 2.934 174 H VAL 26 HN VAL 26 -1.819 -5.025 -0.199 175 HA VAL 26 HA VAL 26 -0.631 -7.185 1.266 176 HB VAL 26 HB VAL 26 -2.955 -7.670 1.615 177 1HG1 VAL 26 HG11 VAL 26 -3.521 -7.610 -1.415 178 2HG1 VAL 26 HG12 VAL 26 -3.911 -6.269 -0.285 179 3HG1 VAL 26 HG13 VAL 26 -4.662 -7.876 -0.052 180 1HG2 VAL 26 HG21 VAL 26 -1.863 -9.560 -0.574 181 2HG2 VAL 26 HG22 VAL 26 -3.074 -9.930 0.695 182 3HG2 VAL 26 HG23 VAL 26 -1.379 -9.552 1.161 183 H GLY 27 HN GLY 27 -1.507 -8.237 -1.878 184 1HA GLY 27 HA2 GLY 27 1.006 -7.196 -2.867 185 2HA GLY 27 HA1 GLY 27 -0.201 -8.225 -3.727 186 H VAL 28 HN VAL 28 -1.848 -5.732 -2.399 187 HA VAL 28 HA VAL 28 -1.620 -3.806 -4.436 188 HB VAL 28 HB VAL 28 -4.145 -3.852 -4.898 189 1HG1 VAL 28 HG11 VAL 28 -2.488 -6.191 -6.046 190 2HG1 VAL 28 HG12 VAL 28 -2.473 -4.477 -6.619 191 3HG1 VAL 28 HG13 VAL 28 -3.966 -5.469 -6.785 192 1HG2 VAL 28 HG21 VAL 28 -5.354 -6.026 -4.661 193 2HG2 VAL 28 HG22 VAL 28 -4.815 -5.441 -3.054 194 3HG2 VAL 28 HG23 VAL 28 -3.922 -6.779 -3.879 195 H CYS 29 HN CYS 29 -3.024 -2.014 -3.613 196 HA CYS 29 HA CYS 29 -3.264 -2.078 -0.729 197 1HB CYS 29 HB2 CYS 29 -4.164 -0.078 -2.880 198 2HB CYS 29 HB1 CYS 29 -4.430 0.199 -1.131 199 H ALA 30 HN ALA 30 -5.201 -2.274 0.500 200 HA ALA 30 HA ALA 30 -7.674 -2.630 -0.936 201 1HB ALA 30 HB1 ALA 30 -6.611 -4.949 -1.141 202 2HB ALA 30 HB2 ALA 30 -8.086 -4.959 -0.124 203 3HB ALA 30 HB3 ALA 30 -6.446 -4.996 0.648 204 H ASP 31 HN ASP 31 -8.609 -4.191 1.648 205 HA ASP 31 HA ASP 31 -7.941 -2.367 3.700 206 1HB ASP 31 HB2 ASP 31 -10.398 -2.065 4.355 207 2HB ASP 31 HB1 ASP 31 -9.883 -1.087 2.939 208 H LEU 32 HN LEU 32 -8.805 -3.589 5.717 209 HA LEU 32 HA LEU 32 -9.937 -6.087 5.345 210 1HB LEU 32 HB2 LEU 32 -7.202 -5.757 6.801 211 2HB LEU 32 HB1 LEU 32 -8.309 -7.147 7.051 212 HG LEU 32 HG LEU 32 -6.903 -6.461 4.400 213 1HD1 LEU 32 HD11 LEU 32 -6.247 -8.651 6.476 214 2HD1 LEU 32 HD12 LEU 32 -5.260 -7.183 6.122 215 3HD1 LEU 32 HD13 LEU 32 -5.467 -8.455 4.865 216 1HD2 LEU 32 HD21 LEU 32 -7.633 -8.746 3.671 217 2HD2 LEU 32 HD22 LEU 32 -9.025 -7.660 3.980 218 3HD2 LEU 32 HD23 LEU 32 -8.589 -8.926 5.189 219 1HN NH2 33 H1 NH2 33 -10.648 -6.375 7.827 220 2HN NH2 33 H2 NH2 33 -10.786 -4.909 8.738
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