NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10895 | 1qky | 4427 | cing | 1-original | 1 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H1 ASP 1 4.488 -3.004 13.244 2 H2 ASP 1 H2 ASP 1 4.802 -3.262 11.661 3 H3 ASP 1 H3 ASP 1 5.179 -4.416 12.763 4 HA ASP 1 HA ASP 1 6.785 -3.082 13.804 5 1HB ASP 1 1HB ASP 1 7.104 -3.587 10.887 6 2HB ASP 1 2HB ASP 1 8.388 -2.723 11.785 7 H GLU 2 H GLU 2 7.034 -1.019 10.899 8 HA GLU 2 HA GLU 2 5.944 1.265 12.427 9 1HB GLU 2 1HB GLU 2 8.268 1.309 13.036 10 2HB GLU 2 2HB GLU 2 8.794 1.036 11.368 11 1HG GLU 2 1HG GLU 2 8.114 3.216 10.668 12 2HG GLU 2 2HG GLU 2 7.119 3.470 12.101 13 H ALA 3 H ALA 3 4.601 2.299 11.055 14 HA ALA 3 HA ALA 3 3.395 2.721 9.199 15 1HB ALA 3 3HB ALA 3 4.592 3.786 7.347 16 2HB ALA 3 1HB ALA 3 5.283 4.303 8.885 17 3HB ALA 3 2HB ALA 3 6.128 3.090 7.900 18 H ILE 4 H ILE 4 3.936 2.169 6.455 19 HA ILE 4 HA ILE 4 4.370 -0.705 6.186 20 HB ILE 4 HB ILE 4 1.858 0.698 5.176 21 1HG1 ILE 4 1HG1 ILE 4 1.617 -0.041 7.523 22 2HG1 ILE 4 2HG1 ILE 4 0.540 -0.878 6.427 23 1HG2 ILE 4 1HG2 ILE 4 2.765 -0.818 3.436 24 2HG2 ILE 4 2HG2 ILE 4 2.810 -2.139 4.582 25 3HG2 ILE 4 3HG2 ILE 4 1.250 -1.433 4.101 26 1HD1 ILE 4 1HD1 ILE 4 3.149 -2.096 7.453 27 2HD1 ILE 4 2HD1 ILE 4 1.550 -2.372 8.156 28 3HD1 ILE 4 3HD1 ILE 4 1.888 -2.903 6.508 29 H ARG 5 H ARG 5 5.679 -0.922 4.378 30 HA ARG 5 HA ARG 5 5.754 1.343 2.456 31 1HB ARG 5 1HB ARG 5 8.191 -0.173 3.460 32 2HB ARG 5 2HB ARG 5 8.179 0.998 2.158 33 1HG ARG 5 1HG ARG 5 7.120 2.626 3.996 34 2HG ARG 5 2HG ARG 5 7.847 1.471 5.118 35 1HD ARG 5 1HD ARG 5 9.983 1.798 3.572 36 2HD ARG 5 2HD ARG 5 9.165 3.278 3.071 37 HE ARG 5 HE ARG 5 10.517 2.668 5.561 38 1HH1 ARG 5 1HH1 ARG 5 7.845 4.805 4.471 39 2HH1 ARG 5 2HH1 ARG 5 8.250 6.013 5.604 40 1HH2 ARG 5 1HH2 ARG 5 11.330 4.589 6.644 41 2HH2 ARG 5 2HH2 ARG 5 10.342 6.003 6.605 42 H CYS 6 H CYS 6 6.784 0.653 0.325 43 HA CYS 6 HA CYS 6 5.888 -2.082 -0.430 44 1HB CYS 6 1HB CYS 6 4.807 -0.856 -2.433 45 2HB CYS 6 2HB CYS 6 3.959 -0.899 -0.909 46 H THR 7 H THR 7 7.214 -3.065 -1.977 47 HA THR 7 HA THR 7 9.532 -1.848 -2.954 48 HB THR 7 HB THR 7 7.942 -4.014 -4.381 49 HG1 THR 7 HG1 THR 7 8.809 -5.428 -2.964 50 1HG2 THR 7 1HG2 THR 7 10.020 -3.216 -5.561 51 2HG2 THR 7 2HG2 THR 7 10.957 -3.600 -4.100 52 3HG2 THR 7 3HG2 THR 7 10.147 -4.892 -5.010 53 H GLY 8 H GLY 8 6.221 -1.863 -4.306 54 1HA GLY 8 1HA GLY 8 6.541 0.606 -5.623 55 2HA GLY 8 2HA GLY 8 6.548 -0.720 -6.803 56 H THR 9 H THR 9 4.467 0.798 -7.105 57 HA THR 9 HA THR 9 2.204 0.807 -5.650 58 HB THR 9 HB THR 9 2.320 0.329 -8.660 59 HG1 THR 9 HG1 THR 9 3.710 1.967 -8.353 60 1HG2 THR 9 1HG2 THR 9 0.426 1.878 -6.852 61 2HG2 THR 9 2HG2 THR 9 0.387 1.919 -8.625 62 3HG2 THR 9 3HG2 THR 9 0.037 0.406 -7.765 63 H LYS 10 H LYS 10 2.974 -1.884 -8.000 64 HA LYS 10 HA LYS 10 0.525 -3.244 -7.294 65 1HB LYS 10 1HB LYS 10 3.016 -4.197 -8.766 66 2HB LYS 10 2HB LYS 10 1.554 -5.178 -8.554 67 1HG LYS 10 1HG LYS 10 0.202 -3.467 -9.722 68 2HG LYS 10 2HG LYS 10 1.633 -2.446 -9.892 69 1HD LYS 10 1HD LYS 10 1.215 -3.548 -11.975 70 2HD LYS 10 2HD LYS 10 2.723 -4.157 -11.278 71 1HE LYS 10 1HE LYS 10 1.433 -6.170 -10.437 72 2HE LYS 10 2HE LYS 10 -0.009 -5.531 -11.263 73 1HZ LYS 10 1HZ LYS 10 1.321 -5.624 -13.339 74 2HZ LYS 10 2HZ LYS 10 2.540 -6.356 -12.493 75 3HZ LYS 10 3HZ LYS 10 1.094 -7.102 -12.676 76 H ASP 11 H ASP 11 3.640 -3.219 -5.740 77 HA ASP 11 HA ASP 11 3.222 -5.790 -4.405 78 1HB ASP 11 1HB ASP 11 5.500 -4.667 -4.835 79 2HB ASP 11 2HB ASP 11 5.101 -3.587 -3.487 80 H CYS 12 H CYS 12 2.638 -2.343 -3.790 81 HA CYS 12 HA CYS 12 2.030 -2.428 -1.045 82 1HB CYS 12 1HB CYS 12 2.376 -0.417 -2.513 83 2HB CYS 12 2HB CYS 12 0.769 -0.662 -3.181 84 H TYR 13 H TYR 13 0.047 -3.319 -3.821 85 HA TYR 13 HA TYR 13 -2.514 -3.311 -2.647 86 1HB TYR 13 1HB TYR 13 -1.377 -5.349 -4.588 87 2HB TYR 13 2HB TYR 13 -3.076 -5.002 -4.314 88 HD1 TYR 13 HD1 TYR 13 -2.228 -1.738 -4.322 89 HD2 TYR 13 HD2 TYR 13 -1.949 -5.135 -6.978 90 HE1 TYR 13 HE1 TYR 13 -2.313 -0.228 -6.248 91 HE2 TYR 13 HE2 TYR 13 -2.087 -3.630 -8.919 92 HH TYR 13 HH TYR 13 -2.869 -1.443 -9.491 93 H ILE 14 H ILE 14 0.224 -5.551 -2.165 94 HA ILE 14 HA ILE 14 -1.305 -7.685 -1.097 95 HB ILE 14 HB ILE 14 1.649 -7.109 -0.669 96 1HG1 ILE 14 1HG1 ILE 14 0.382 -8.958 -2.707 97 2HG1 ILE 14 2HG1 ILE 14 0.911 -7.329 -3.107 98 1HG2 ILE 14 1HG2 ILE 14 0.635 -8.714 0.970 99 2HG2 ILE 14 2HG2 ILE 14 0.010 -9.663 -0.389 100 3HG2 ILE 14 3HG2 ILE 14 1.758 -9.509 -0.124 101 1HD1 ILE 14 1HD1 ILE 14 3.223 -7.899 -2.394 102 2HD1 ILE 14 2HD1 ILE 14 2.702 -9.593 -2.165 103 3HD1 ILE 14 3HD1 ILE 14 2.629 -8.848 -3.767 104 HA PRO 15 HA PRO 15 -0.449 -6.226 3.304 105 1HB PRO 15 1HB PRO 15 0.645 -3.798 3.936 106 2HB PRO 15 2HB PRO 15 1.611 -5.276 3.663 107 1HG PRO 15 1HG PRO 15 0.979 -3.082 1.661 108 2HG PRO 15 2HG PRO 15 2.578 -3.785 2.059 109 1HD PRO 15 1HD PRO 15 1.187 -4.676 -0.073 110 2HD PRO 15 2HD PRO 15 2.050 -5.825 0.989 111 H CYS 16 H CYS 16 -1.413 -3.730 0.892 112 HA CYS 16 HA CYS 16 -3.294 -2.428 2.599 113 1HB CYS 16 1HB CYS 16 -2.563 -1.652 0.272 114 2HB CYS 16 2HB CYS 16 -3.674 -2.863 -0.382 115 H ARG 17 H ARG 17 -3.816 -5.101 0.183 116 HA ARG 17 HA ARG 17 -6.459 -5.603 1.148 117 1HB ARG 17 1HB ARG 17 -5.694 -6.033 -1.125 118 2HB ARG 17 2HB ARG 17 -4.626 -7.316 -0.571 119 1HG ARG 17 1HG ARG 17 -6.353 -8.825 -0.291 120 2HG ARG 17 2HG ARG 17 -7.496 -7.586 0.227 121 1HD ARG 17 1HD ARG 17 -8.184 -8.517 -1.913 122 2HD ARG 17 2HD ARG 17 -7.802 -6.796 -2.060 123 HE ARG 17 HE ARG 17 -5.549 -8.527 -2.680 124 1HH1 ARG 17 1HH1 ARG 17 -8.630 -7.330 -4.233 125 2HH1 ARG 17 2HH1 ARG 17 -7.928 -7.590 -5.796 126 1HH2 ARG 17 1HH2 ARG 17 -4.690 -8.352 -4.902 127 2HH2 ARG 17 2HH2 ARG 17 -5.889 -8.197 -6.145 128 H TYR 18 H TYR 18 -3.305 -6.729 2.343 129 HA TYR 18 HA TYR 18 -4.577 -8.817 3.921 130 1HB TYR 18 1HB TYR 18 -1.929 -8.226 3.299 131 2HB TYR 18 2HB TYR 18 -2.024 -7.849 5.003 132 HD1 TYR 18 HD1 TYR 18 -2.756 -9.695 6.645 133 HD2 TYR 18 HD2 TYR 18 -2.168 -10.462 2.434 134 HE1 TYR 18 HE1 TYR 18 -2.591 -12.112 7.110 135 HE2 TYR 18 HE2 TYR 18 -2.053 -12.881 2.883 136 HH TYR 18 HH TYR 18 -2.386 -14.278 6.174 137 H ILE 19 H ILE 19 -3.619 -5.404 4.633 138 HA ILE 19 HA ILE 19 -4.547 -5.704 7.422 139 HB ILE 19 HB ILE 19 -3.167 -3.417 5.998 140 1HG1 ILE 19 1HG1 ILE 19 -2.020 -5.202 8.173 141 2HG1 ILE 19 2HG1 ILE 19 -1.858 -5.632 6.475 142 1HG2 ILE 19 1HG2 ILE 19 -3.932 -3.758 8.932 143 2HG2 ILE 19 2HG2 ILE 19 -2.842 -2.496 8.330 144 3HG2 ILE 19 3HG2 ILE 19 -4.527 -2.516 7.826 145 1HD1 ILE 19 1HD1 ILE 19 -0.791 -3.070 7.705 146 2HD1 ILE 19 2HD1 ILE 19 0.140 -4.501 7.237 147 3HD1 ILE 19 3HD1 ILE 19 -0.678 -3.541 5.995 148 H THR 20 H THR 20 -5.016 -3.110 4.996 149 HA THR 20 HA THR 20 -7.449 -2.176 6.101 150 HB THR 20 HB THR 20 -5.861 -1.797 3.547 151 HG1 THR 20 HG1 THR 20 -6.677 -0.111 5.662 152 1HG2 THR 20 1HG2 THR 20 -8.611 -0.620 4.033 153 2HG2 THR 20 2HG2 THR 20 -7.396 0.124 2.975 154 3HG2 THR 20 3HG2 THR 20 -7.979 -1.498 2.625 155 H GLY 21 H GLY 21 -6.786 -4.705 3.689 156 1HA GLY 21 1HA GLY 21 -8.240 -6.459 3.073 157 2HA GLY 21 2HA GLY 21 -9.587 -5.644 3.849 158 H CYS 22 H CYS 22 -9.715 -3.232 2.820 159 HA CYS 22 HA CYS 22 -10.727 -3.509 0.175 160 1HB CYS 22 1HB CYS 22 -9.887 -1.071 1.768 161 2HB CYS 22 2HB CYS 22 -10.726 -1.046 0.235 162 H PHE 23 H PHE 23 -9.914 -2.542 -1.773 163 HA PHE 23 HA PHE 23 -7.084 -3.081 -2.101 164 1HB PHE 23 1HB PHE 23 -8.909 -3.957 -3.543 165 2HB PHE 23 2HB PHE 23 -9.226 -2.328 -4.126 166 HD1 PHE 23 HD1 PHE 23 -6.772 -5.110 -4.039 167 HD2 PHE 23 HD2 PHE 23 -7.736 -1.283 -5.783 168 HE1 PHE 23 HE1 PHE 23 -5.033 -5.459 -5.781 169 HE2 PHE 23 HE2 PHE 23 -5.963 -1.622 -7.486 170 HZ PHE 23 HZ PHE 23 -4.653 -3.726 -7.514 171 H ASN 24 H ASN 24 -9.072 -0.147 -2.741 172 HA ASN 24 HA ASN 24 -7.313 1.229 -4.353 173 1HB ASN 24 1HB ASN 24 -9.628 1.908 -3.984 174 2HB ASN 24 2HB ASN 24 -9.216 2.484 -2.361 175 2HD2 ASN 24 1HD2 ASN 24 -10.012 4.650 -3.096 176 1HD2 ASN 24 2HD2 ASN 24 -8.969 5.649 -4.069 177 H SER 25 H SER 25 -5.148 1.357 -3.964 178 HA SER 25 HA SER 25 -4.260 2.935 -1.640 179 1HB SER 25 1HB SER 25 -2.350 1.182 -1.500 180 2HB SER 25 2HB SER 25 -3.935 0.785 -0.851 181 HG SER 25 HG SER 25 -4.374 -0.492 -2.610 182 H ARG 26 H ARG 26 -1.925 3.488 -1.729 183 HA ARG 26 HA ARG 26 -0.833 3.956 -4.424 184 1HB ARG 26 1HB ARG 26 -2.603 5.763 -3.225 185 2HB ARG 26 2HB ARG 26 -1.078 6.366 -2.640 186 1HG ARG 26 1HG ARG 26 -1.611 5.830 -5.600 187 2HG ARG 26 2HG ARG 26 -2.096 7.332 -4.820 188 1HD ARG 26 1HD ARG 26 0.193 7.825 -4.156 189 2HD ARG 26 2HD ARG 26 0.736 6.274 -4.825 190 HE ARG 26 HE ARG 26 -0.521 7.551 -6.937 191 1HH1 ARG 26 1HH1 ARG 26 2.398 8.038 -4.912 192 2HH1 ARG 26 2HH1 ARG 26 3.094 9.167 -6.050 193 1HH2 ARG 26 1HH2 ARG 26 0.605 8.917 -8.488 194 2HH2 ARG 26 2HH2 ARG 26 2.112 9.643 -7.994 195 H CYS 27 H CYS 27 1.458 4.423 -4.313 196 HA CYS 27 HA CYS 27 2.722 4.071 -1.645 197 1HB CYS 27 1HB CYS 27 3.803 3.766 -4.463 198 2HB CYS 27 2HB CYS 27 4.824 3.849 -3.046 199 H ILE 28 H ILE 28 3.760 5.896 -0.777 200 HA ILE 28 HA ILE 28 4.634 8.029 -2.584 201 HB ILE 28 HB ILE 28 2.303 8.567 -1.782 202 1HG1 ILE 28 2HG1 ILE 28 4.567 10.426 -0.984 203 2HG1 ILE 28 1HG1 ILE 28 2.861 10.885 -0.913 204 1HG2 ILE 28 1HG2 ILE 28 2.488 7.527 0.479 205 2HG2 ILE 28 2HG2 ILE 28 3.517 8.883 0.973 206 3HG2 ILE 28 3HG2 ILE 28 1.839 9.172 0.481 207 1HD1 ILE 28 1HD1 ILE 28 2.630 10.290 -3.351 208 2HD1 ILE 28 2HD1 ILE 28 3.696 11.662 -3.014 209 3HD1 ILE 28 3HD1 ILE 28 4.393 10.081 -3.418 210 H ASN 29 H ASN 29 6.733 8.675 -1.945 211 HA ASN 29 HA ASN 29 8.756 8.280 -1.002 212 1HB ASN 29 1HB ASN 29 7.211 8.822 1.559 213 2HB ASN 29 2HB ASN 29 8.962 8.763 1.420 214 2HD2 ASN 29 1HD2 ASN 29 6.174 10.789 1.004 215 1HD2 ASN 29 2HD2 ASN 29 7.018 12.169 0.396 216 H LYS 30 H LYS 30 7.819 5.985 -1.770 217 HA LYS 30 HA LYS 30 7.702 3.774 -1.645 218 1HB LYS 30 1HB LYS 30 10.152 4.305 -0.867 219 2HB LYS 30 2HB LYS 30 9.578 3.739 0.712 220 1HG LYS 30 1HG LYS 30 8.752 1.662 -0.530 221 2HG LYS 30 2HG LYS 30 9.709 2.196 -1.905 222 1HD LYS 30 1HD LYS 30 11.752 1.864 -0.633 223 2HD LYS 30 2HD LYS 30 10.831 1.673 0.887 224 1HE LYS 30 1HE LYS 30 9.649 -0.300 -0.095 225 2HE LYS 30 2HE LYS 30 10.620 -0.148 -1.555 226 1HZ LYS 30 1HZ LYS 30 11.723 -0.733 1.135 227 2HZ LYS 30 2HZ LYS 30 11.453 -1.824 -0.080 228 3HZ LYS 30 3HZ LYS 30 12.569 -0.641 -0.276 229 H SER 31 H SER 31 6.063 5.482 0.592 230 HA SER 31 HA SER 31 5.485 3.310 2.483 231 1HB SER 31 1HB SER 31 4.622 6.213 2.565 232 2HB SER 31 2HB SER 31 4.599 5.023 3.876 233 HG SER 31 HG SER 31 6.920 5.976 2.504 234 H CYS 32 H CYS 32 3.536 2.263 2.448 235 HA CYS 32 HA CYS 32 1.669 2.673 0.243 236 1HB CYS 32 1HB CYS 32 1.717 0.978 2.758 237 2HB CYS 32 2HB CYS 32 0.252 1.128 1.814 238 H LYS 33 H LYS 33 -0.281 3.653 0.317 239 HA LYS 33 HA LYS 33 -1.465 4.577 2.873 240 1HB LYS 33 1HB LYS 33 -1.138 6.204 0.299 241 2HB LYS 33 2HB LYS 33 -2.184 6.659 1.638 242 1HG LYS 33 1HG LYS 33 0.859 6.415 1.772 243 2HG LYS 33 2HG LYS 33 -0.074 7.902 1.626 244 1HD LYS 33 1HD LYS 33 -1.218 7.252 3.832 245 2HD LYS 33 2HD LYS 33 -0.008 5.996 3.997 246 1HE LYS 33 1HE LYS 33 0.809 7.800 5.273 247 2HE LYS 33 2HE LYS 33 1.789 7.786 3.799 248 1HZ LYS 33 1HZ LYS 33 -0.503 9.579 4.341 249 2HZ LYS 33 2HZ LYS 33 1.099 9.999 4.370 250 3HZ LYS 33 3HZ LYS 33 0.383 9.591 2.959 251 H CYS 34 H CYS 34 -3.448 3.513 2.931 252 HA CYS 34 HA CYS 34 -4.708 2.795 0.322 253 1HB CYS 34 1HB CYS 34 -5.499 1.850 3.073 254 2HB CYS 34 2HB CYS 34 -6.145 1.326 1.530 255 H TYR 35 H TYR 35 -6.642 3.728 -0.198 256 HA TYR 35 HA TYR 35 -7.594 6.049 1.373 257 1HB TYR 35 1HB TYR 35 -8.478 4.719 -1.211 258 2HB TYR 35 2HB TYR 35 -9.243 6.144 -0.532 259 HD1 TYR 35 HD1 TYR 35 -8.137 8.327 -0.472 260 HD2 TYR 35 HD2 TYR 35 -6.270 4.922 -2.366 261 HE1 TYR 35 HE1 TYR 35 -6.617 9.822 -1.662 262 HE2 TYR 35 HE2 TYR 35 -4.751 6.446 -3.599 263 HH TYR 35 HH TYR 35 -4.882 10.022 -3.099 264 H GLY 36 H GLY 36 -8.272 2.647 0.929 265 1HA GLY 36 1HA GLY 36 -9.682 1.500 2.601 266 2HA GLY 36 2HA GLY 36 -10.842 2.840 2.420 267 H CYS 37 H CYS 37 -12.433 1.380 1.629 268 HA CYS 37 HA CYS 37 -12.001 -0.009 -0.930 269 1HB CYS 37 1HB CYS 37 -14.334 0.441 0.923 270 2HB CYS 37 2HB CYS 37 -14.609 -0.079 -0.737 271 H THR 38 H THR 38 -13.153 0.507 -2.852 272 HA THR 38 HA THR 38 -12.725 3.131 -3.783 273 HB THR 38 HB THR 38 -14.217 2.214 -5.698 274 HG1 THR 38 HG1 THR 38 -15.309 0.631 -4.659 275 1HG2 THR 38 1HG2 THR 38 -11.713 0.682 -4.820 276 2HG2 THR 38 2HG2 THR 38 -12.398 0.701 -6.454 277 3HG2 THR 38 3HG2 THR 38 -11.752 2.190 -5.754 No H/Q in entry = 277 Start of MODEL 2 1 H1 ASP 1 H1 ASP 1 8.718 -0.103 15.161 2 H2 ASP 1 H2 ASP 1 7.502 -1.056 14.568 3 H3 ASP 1 H3 ASP 1 8.148 -1.340 16.056 4 HA ASP 1 HA ASP 1 10.238 -1.908 15.153 5 1HB ASP 1 2HB ASP 1 9.751 -4.012 14.116 6 2HB ASP 1 1HB ASP 1 8.124 -3.481 13.653 7 H GLU 2 H GLU 2 7.836 -1.277 12.501 8 HA GLU 2 HA GLU 2 9.876 0.154 11.019 9 1HB GLU 2 1HB GLU 2 9.416 -1.009 8.921 10 2HB GLU 2 2HB GLU 2 10.231 -2.042 10.092 11 1HG GLU 2 1HG GLU 2 8.142 -3.233 10.563 12 2HG GLU 2 2HG GLU 2 7.244 -2.147 9.500 13 H ALA 3 H ALA 3 7.774 0.041 8.730 14 HA ALA 3 HA ALA 3 5.366 1.093 9.860 15 1HB ALA 3 2HB ALA 3 7.150 2.913 8.166 16 2HB ALA 3 3HB ALA 3 5.484 3.266 8.673 17 3HB ALA 3 1HB ALA 3 6.774 3.166 9.886 18 H ILE 4 H ILE 4 3.943 1.704 7.794 19 HA ILE 4 HA ILE 4 4.293 -0.475 5.905 20 HB ILE 4 HB ILE 4 2.190 1.658 5.522 21 1HG1 ILE 4 1HG1 ILE 4 2.106 -0.528 7.627 22 2HG1 ILE 4 2HG1 ILE 4 1.945 1.214 7.872 23 1HG2 ILE 4 1HG2 ILE 4 2.702 -0.290 3.907 24 2HG2 ILE 4 2HG2 ILE 4 2.104 -1.372 5.175 25 3HG2 ILE 4 3HG2 ILE 4 1.039 -0.142 4.455 26 1HD1 ILE 4 1HD1 ILE 4 -0.170 1.169 6.506 27 2HD1 ILE 4 2HD1 ILE 4 -0.063 -0.611 6.503 28 3HD1 ILE 4 3HD1 ILE 4 -0.230 0.265 8.024 29 H ARG 5 H ARG 5 6.339 0.144 5.107 30 HA ARG 5 HA ARG 5 6.372 2.404 3.145 31 1HB ARG 5 1HB ARG 5 8.632 0.683 4.218 32 2HB ARG 5 2HB ARG 5 8.812 1.998 3.046 33 1HG ARG 5 1HG ARG 5 7.911 3.604 4.758 34 2HG ARG 5 2HG ARG 5 7.848 2.269 5.930 35 1HD ARG 5 1HD ARG 5 10.306 1.905 5.565 36 2HD ARG 5 2HD ARG 5 10.320 3.366 4.557 37 HE ARG 5 HE ARG 5 9.134 4.155 6.941 38 1HH1 ARG 5 1HH1 ARG 5 12.327 2.968 5.931 39 2HH1 ARG 5 2HH1 ARG 5 13.121 3.485 7.392 40 1HH2 ARG 5 1HH2 ARG 5 10.241 4.957 8.807 41 2HH2 ARG 5 2HH2 ARG 5 11.861 4.468 9.133 42 H CYS 6 H CYS 6 7.501 1.742 0.990 43 HA CYS 6 HA CYS 6 6.713 -1.046 0.271 44 1HB CYS 6 2HB CYS 6 4.847 0.508 -0.232 45 2HB CYS 6 1HB CYS 6 5.510 -0.301 -1.639 46 H THR 7 H THR 7 7.297 -1.445 -2.092 47 HA THR 7 HA THR 7 10.000 -0.378 -2.711 48 HB THR 7 HB THR 7 8.843 -3.072 -3.493 49 HG1 THR 7 HG1 THR 7 10.894 -2.591 -1.590 50 1HG2 THR 7 1HG2 THR 7 11.653 -1.880 -3.686 51 2HG2 THR 7 2HG2 THR 7 11.236 -3.573 -4.039 52 3HG2 THR 7 3HG2 THR 7 10.578 -2.271 -5.037 53 H GLY 8 H GLY 8 7.160 -1.903 -4.439 54 1HA GLY 8 1HA GLY 8 7.075 0.414 -6.291 55 2HA GLY 8 2HA GLY 8 6.876 -1.260 -6.810 56 H THR 9 H THR 9 4.793 0.646 -7.281 57 HA THR 9 HA THR 9 2.923 0.815 -5.225 58 HB THR 9 HB THR 9 2.295 0.747 -8.191 59 HG1 THR 9 HG1 THR 9 2.862 3.161 -6.940 60 1HG2 THR 9 1HG2 THR 9 1.065 2.307 -5.862 61 2HG2 THR 9 2HG2 THR 9 0.593 2.432 -7.576 62 3HG2 THR 9 3HG2 THR 9 0.320 0.929 -6.695 63 H LYS 10 H LYS 10 3.197 -1.826 -7.738 64 HA LYS 10 HA LYS 10 0.779 -3.066 -6.734 65 1HB LYS 10 2HB LYS 10 1.743 -3.391 -9.028 66 2HB LYS 10 1HB LYS 10 1.130 -4.810 -8.212 67 1HG LYS 10 2HG LYS 10 4.108 -4.177 -8.213 68 2HG LYS 10 1HG LYS 10 3.296 -4.963 -9.570 69 1HD LYS 10 1HD LYS 10 3.652 -6.055 -6.763 70 2HD LYS 10 2HD LYS 10 2.442 -6.709 -7.890 71 1HE LYS 10 1HE LYS 10 4.213 -7.063 -9.573 72 2HE LYS 10 2HE LYS 10 5.435 -6.456 -8.441 73 1HZ LYS 10 1HZ LYS 10 3.694 -8.767 -7.840 74 2HZ LYS 10 2HZ LYS 10 5.170 -8.940 -8.535 75 3HZ LYS 10 3HZ LYS 10 5.088 -8.319 -7.056 76 H ASP 11 H ASP 11 4.012 -2.964 -5.522 77 HA ASP 11 HA ASP 11 3.912 -5.387 -3.915 78 1HB ASP 11 1HB ASP 11 5.981 -3.919 -4.564 79 2HB ASP 11 2HB ASP 11 5.495 -2.883 -3.220 80 H CYS 12 H CYS 12 3.362 -1.907 -3.411 81 HA CYS 12 HA CYS 12 2.400 -1.970 -0.763 82 1HB CYS 12 1HB CYS 12 3.257 -0.043 -2.075 83 2HB CYS 12 2HB CYS 12 1.760 -0.024 -3.008 84 H TYR 13 H TYR 13 0.693 -2.850 -3.700 85 HA TYR 13 HA TYR 13 -2.005 -2.519 -2.683 86 1HB TYR 13 1HB TYR 13 -0.720 -4.028 -4.941 87 2HB TYR 13 2HB TYR 13 -2.252 -4.616 -4.351 88 HD1 TYR 13 HD1 TYR 13 -0.970 -1.078 -4.920 89 HD2 TYR 13 HD2 TYR 13 -3.953 -4.076 -5.771 90 HE1 TYR 13 HE1 TYR 13 -2.186 0.537 -6.340 91 HE2 TYR 13 HE2 TYR 13 -5.144 -2.492 -7.222 92 HH TYR 13 HH TYR 13 -4.927 -0.485 -8.366 93 H ILE 14 H ILE 14 0.471 -5.089 -2.418 94 HA ILE 14 HA ILE 14 -1.199 -7.172 -1.583 95 HB ILE 14 HB ILE 14 1.764 -6.724 -1.071 96 1HG1 ILE 14 1HG1 ILE 14 0.326 -8.415 -3.169 97 2HG1 ILE 14 2HG1 ILE 14 0.987 -6.813 -3.480 98 1HG2 ILE 14 1HG2 ILE 14 0.836 -8.377 0.536 99 2HG2 ILE 14 2HG2 ILE 14 0.189 -9.303 -0.832 100 3HG2 ILE 14 3HG2 ILE 14 1.933 -9.108 -0.620 101 1HD1 ILE 14 1HD1 ILE 14 3.263 -7.632 -2.875 102 2HD1 ILE 14 2HD1 ILE 14 2.594 -9.283 -2.775 103 3HD1 ILE 14 3HD1 ILE 14 2.551 -8.402 -4.308 104 HA PRO 15 HA PRO 15 -0.322 -6.311 2.996 105 1HB PRO 15 1HB PRO 15 0.517 -3.837 3.886 106 2HB PRO 15 2HB PRO 15 1.621 -5.172 3.452 107 1HG PRO 15 2HG PRO 15 2.419 -3.467 1.976 108 2HG PRO 15 1HG PRO 15 0.770 -2.831 1.723 109 1HD PRO 15 1HD PRO 15 0.980 -4.149 -0.179 110 2HD PRO 15 2HD PRO 15 2.020 -5.350 0.629 111 H CYS 16 H CYS 16 -1.260 -3.259 1.297 112 HA CYS 16 HA CYS 16 -3.203 -2.458 3.180 113 1HB CYS 16 1HB CYS 16 -2.230 -1.100 1.304 114 2HB CYS 16 2HB CYS 16 -3.287 -1.975 0.182 115 H ARG 17 H ARG 17 -3.573 -4.441 0.178 116 HA ARG 17 HA ARG 17 -6.349 -5.007 0.572 117 1HB ARG 17 1HB ARG 17 -5.089 -5.374 -1.577 118 2HB ARG 17 2HB ARG 17 -4.208 -6.703 -0.800 119 1HG ARG 17 1HG ARG 17 -6.407 -7.841 -0.352 120 2HG ARG 17 2HG ARG 17 -7.220 -6.532 -1.238 121 1HD ARG 17 1HD ARG 17 -6.295 -7.197 -3.300 122 2HD ARG 17 2HD ARG 17 -5.002 -8.117 -2.498 123 HE ARG 17 HE ARG 17 -7.598 -9.154 -1.813 124 1HH1 ARG 17 1HH1 ARG 17 -5.304 -8.999 -4.497 125 2HH1 ARG 17 2HH1 ARG 17 -5.396 -10.660 -4.934 126 1HH2 ARG 17 1HH2 ARG 17 -7.697 -11.454 -2.276 127 2HH2 ARG 17 2HH2 ARG 17 -6.905 -12.087 -3.698 128 H TYR 18 H TYR 18 -3.339 -6.738 1.699 129 HA TYR 18 HA TYR 18 -4.776 -8.927 2.738 130 1HB TYR 18 1HB TYR 18 -2.182 -8.554 2.428 131 2HB TYR 18 2HB TYR 18 -2.244 -7.990 4.091 132 HD1 TYR 18 HD1 TYR 18 -2.857 -9.634 5.912 133 HD2 TYR 18 HD2 TYR 18 -2.626 -10.829 1.773 134 HE1 TYR 18 HE1 TYR 18 -2.977 -11.995 6.592 135 HE2 TYR 18 HE2 TYR 18 -2.671 -13.203 2.445 136 HH TYR 18 HH TYR 18 -3.025 -14.238 5.869 137 H ILE 19 H ILE 19 -4.002 -5.786 4.180 138 HA ILE 19 HA ILE 19 -5.052 -6.394 6.808 139 HB ILE 19 HB ILE 19 -4.250 -3.795 5.444 140 1HG1 ILE 19 1HG1 ILE 19 -2.721 -5.150 7.691 141 2HG1 ILE 19 2HG1 ILE 19 -2.476 -5.686 6.045 142 1HG2 ILE 19 1HG2 ILE 19 -4.990 -4.316 8.362 143 2HG2 ILE 19 2HG2 ILE 19 -4.195 -2.835 7.779 144 3HG2 ILE 19 3HG2 ILE 19 -5.814 -3.227 7.234 145 1HD1 ILE 19 1HD1 ILE 19 -1.866 -3.377 5.348 146 2HD1 ILE 19 2HD1 ILE 19 -2.051 -2.838 7.016 147 3HD1 ILE 19 3HD1 ILE 19 -0.800 -4.029 6.605 148 H THR 20 H THR 20 -6.162 -3.850 4.506 149 HA THR 20 HA THR 20 -8.693 -3.608 5.775 150 HB THR 20 HB THR 20 -7.419 -2.503 3.239 151 HG1 THR 20 HG1 THR 20 -7.921 -1.439 5.828 152 1HG2 THR 20 1HG2 THR 20 -10.019 -1.605 4.541 153 2HG2 THR 20 2HG2 THR 20 -9.079 -0.655 3.364 154 3HG2 THR 20 3HG2 THR 20 -9.789 -2.198 2.892 155 H GLY 21 H GLY 21 -7.672 -5.636 3.013 156 1HA GLY 21 1HA GLY 21 -9.014 -7.292 2.038 157 2HA GLY 21 2HA GLY 21 -10.487 -6.521 2.655 158 H CYS 22 H CYS 22 -10.359 -3.944 1.914 159 HA CYS 22 HA CYS 22 -10.587 -3.944 -0.962 160 1HB CYS 22 1HB CYS 22 -10.470 -1.530 0.877 161 2HB CYS 22 2HB CYS 22 -11.148 -1.625 -0.744 162 H PHE 23 H PHE 23 -9.103 -3.303 -2.435 163 HA PHE 23 HA PHE 23 -6.296 -3.335 -1.573 164 1HB PHE 23 2HB PHE 23 -7.040 -5.004 -3.134 165 2HB PHE 23 1HB PHE 23 -5.915 -3.941 -3.952 166 HD1 PHE 23 HD1 PHE 23 -6.782 -2.269 -5.631 167 HD2 PHE 23 HD2 PHE 23 -9.378 -5.181 -3.790 168 HE1 PHE 23 HE1 PHE 23 -8.489 -1.883 -7.406 169 HE2 PHE 23 HE2 PHE 23 -11.088 -4.752 -5.525 170 HZ PHE 23 HZ PHE 23 -10.642 -3.120 -7.341 171 H ASN 24 H ASN 24 -8.326 -0.755 -2.172 172 HA ASN 24 HA ASN 24 -6.884 0.677 -4.155 173 1HB ASN 24 1HB ASN 24 -9.281 0.971 -3.471 174 2HB ASN 24 2HB ASN 24 -8.722 1.899 -2.074 175 2HD2 ASN 24 1HD2 ASN 24 -10.377 3.300 -3.638 176 1HD2 ASN 24 2HD2 ASN 24 -9.515 4.398 -4.688 177 H SER 25 H SER 25 -4.741 0.458 -3.557 178 HA SER 25 HA SER 25 -3.647 2.100 -1.349 179 1HB SER 25 1HB SER 25 -3.546 -0.424 -1.304 180 2HB SER 25 2HB SER 25 -2.529 -0.353 -2.749 181 HG SER 25 HG SER 25 -1.253 -0.467 -0.865 182 H ARG 26 H ARG 26 -1.462 2.945 -1.679 183 HA ARG 26 HA ARG 26 -0.500 3.378 -4.432 184 1HB ARG 26 1HB ARG 26 -2.384 4.970 -3.977 185 2HB ARG 26 2HB ARG 26 -1.497 5.627 -2.603 186 1HG ARG 26 1HG ARG 26 0.207 6.543 -4.041 187 2HG ARG 26 2HG ARG 26 -0.388 5.617 -5.437 188 1HD ARG 26 1HD ARG 26 -2.628 6.838 -5.051 189 2HD ARG 26 2HD ARG 26 -1.706 7.971 -4.044 190 HE ARG 26 HE ARG 26 -0.246 8.073 -6.262 191 1HH1 ARG 26 1HH1 ARG 26 -3.772 8.238 -5.852 192 2HH1 ARG 26 2HH1 ARG 26 -4.078 8.839 -7.451 193 1HH2 ARG 26 1HH2 ARG 26 -0.645 9.035 -8.327 194 2HH2 ARG 26 2HH2 ARG 26 -2.213 9.661 -8.702 195 H CYS 27 H CYS 27 1.692 3.813 -4.459 196 HA CYS 27 HA CYS 27 3.178 3.993 -1.878 197 1HB CYS 27 1HB CYS 27 3.986 3.617 -4.796 198 2HB CYS 27 2HB CYS 27 5.134 4.175 -3.604 199 H ILE 28 H ILE 28 3.859 6.057 -1.227 200 HA ILE 28 HA ILE 28 4.287 8.085 -3.275 201 HB ILE 28 HB ILE 28 2.002 8.523 -2.668 202 1HG1 ILE 28 1HG1 ILE 28 2.140 10.820 -1.831 203 2HG1 ILE 28 2HG1 ILE 28 3.800 10.548 -1.297 204 1HG2 ILE 28 1HG2 ILE 28 1.885 7.401 -0.488 205 2HG2 ILE 28 2HG2 ILE 28 2.835 8.718 0.246 206 3HG2 ILE 28 3HG2 ILE 28 1.238 9.045 -0.449 207 1HD1 ILE 28 1HD1 ILE 28 2.930 10.253 -4.198 208 2HD1 ILE 28 2HD1 ILE 28 3.490 11.778 -3.497 209 3HD1 ILE 28 3HD1 ILE 28 4.582 10.377 -3.571 210 H ASN 29 H ASN 29 6.211 8.979 -2.923 211 HA ASN 29 HA ASN 29 8.297 8.953 -2.183 212 1HB ASN 29 1HB ASN 29 7.348 11.053 -1.342 213 2HB ASN 29 2HB ASN 29 6.996 10.279 0.211 214 2HD2 ASN 29 1HD2 ASN 29 8.485 11.536 1.469 215 1HD2 ASN 29 2HD2 ASN 29 10.220 11.434 1.215 216 H LYS 30 H LYS 30 7.546 6.506 -1.998 217 HA LYS 30 HA LYS 30 8.145 4.497 -1.280 218 1HB LYS 30 1HB LYS 30 10.318 5.714 -0.884 219 2HB LYS 30 2HB LYS 30 9.907 5.779 0.837 220 1HG LYS 30 1HG LYS 30 9.973 3.385 1.034 221 2HG LYS 30 2HG LYS 30 9.957 3.185 -0.734 222 1HD LYS 30 1HD LYS 30 12.207 4.151 -0.893 223 2HD LYS 30 2HD LYS 30 12.211 4.500 0.844 224 1HE LYS 30 1HE LYS 30 13.494 2.462 0.301 225 2HE LYS 30 2HE LYS 30 12.146 2.133 1.395 226 1HZ LYS 30 1HZ LYS 30 12.003 1.678 -1.531 227 2HZ LYS 30 2HZ LYS 30 12.451 0.541 -0.448 228 3HZ LYS 30 3HZ LYS 30 10.920 1.179 -0.407 229 H SER 31 H SER 31 6.179 6.414 0.618 230 HA SER 31 HA SER 31 5.787 4.313 2.699 231 1HB SER 31 1HB SER 31 5.874 6.730 3.380 232 2HB SER 31 2HB SER 31 4.466 7.027 2.342 233 HG SER 31 HG SER 31 3.260 5.586 3.640 234 H CYS 32 H CYS 32 3.763 3.260 2.830 235 HA CYS 32 HA CYS 32 2.160 3.230 0.345 236 1HB CYS 32 1HB CYS 32 2.170 1.694 2.966 237 2HB CYS 32 2HB CYS 32 0.724 1.728 1.972 238 H LYS 33 H LYS 33 0.110 4.046 0.264 239 HA LYS 33 HA LYS 33 -1.182 5.213 2.633 240 1HB LYS 33 1HB LYS 33 -0.676 6.647 -0.034 241 2HB LYS 33 2HB LYS 33 -1.928 7.136 1.102 242 1HG LYS 33 2HG LYS 33 0.039 8.536 1.336 243 2HG LYS 33 1HG LYS 33 1.069 7.131 1.683 244 1HD LYS 33 1HD LYS 33 -1.323 7.936 3.331 245 2HD LYS 33 2HD LYS 33 -0.084 6.760 3.792 246 1HE LYS 33 1HE LYS 33 1.610 8.540 3.859 247 2HE LYS 33 2HE LYS 33 0.410 9.736 3.335 248 1HZ LYS 33 1HZ LYS 33 0.275 8.184 5.846 249 2HZ LYS 33 2HZ LYS 33 0.773 9.738 5.709 250 3HZ LYS 33 3HZ LYS 33 -0.796 9.371 5.373 251 H CYS 34 H CYS 34 -3.485 4.952 2.404 252 HA CYS 34 HA CYS 34 -4.341 3.618 -0.105 253 1HB CYS 34 1HB CYS 34 -5.137 2.733 2.693 254 2HB CYS 34 2HB CYS 34 -5.718 2.075 1.161 255 H TYR 35 H TYR 35 -6.613 3.645 -0.401 256 HA TYR 35 HA TYR 35 -7.881 6.128 0.655 257 1HB TYR 35 1HB TYR 35 -8.524 4.429 -1.753 258 2HB TYR 35 2HB TYR 35 -9.326 5.930 -1.299 259 HD1 TYR 35 HD1 TYR 35 -7.963 8.074 -1.186 260 HD2 TYR 35 HD2 TYR 35 -6.356 4.480 -2.908 261 HE1 TYR 35 HE1 TYR 35 -6.236 9.419 -2.334 262 HE2 TYR 35 HE2 TYR 35 -4.630 5.789 -4.068 263 HH TYR 35 HH TYR 35 -4.603 9.354 -4.072 264 H GLY 36 H GLY 36 -7.588 3.084 1.648 265 1HA GLY 36 1HA GLY 36 -8.728 1.750 3.065 266 2HA GLY 36 2HA GLY 36 -9.925 3.045 3.279 267 H CYS 37 H CYS 37 -11.903 2.712 2.386 268 HA CYS 37 HA CYS 37 -12.127 1.008 -0.015 269 1HB CYS 37 1HB CYS 37 -12.446 -0.280 2.249 270 2HB CYS 37 2HB CYS 37 -14.013 0.514 2.285 271 H THR 38 H THR 38 -12.569 2.825 -1.188 272 HA THR 38 HA THR 38 -14.585 4.788 -0.510 273 HB THR 38 HB THR 38 -14.298 5.299 -2.998 274 HG1 THR 38 HG1 THR 38 -13.502 3.026 -3.255 275 1HG2 THR 38 1HG2 THR 38 -11.764 5.223 -1.291 276 2HG2 THR 38 2HG2 THR 38 -11.996 6.197 -2.752 277 3HG2 THR 38 3HG2 THR 38 -12.979 6.518 -1.318 No H/Q in entry = 277 Start of MODEL 3 1 H1 ASP 1 H1 ASP 1 7.252 -2.681 12.000 2 H2 ASP 1 H2 ASP 1 7.374 -3.422 10.526 3 H3 ASP 1 H3 ASP 1 7.263 -4.318 11.910 4 HA ASP 1 HA ASP 1 9.341 -3.527 12.703 5 1HB ASP 1 1HB ASP 1 9.718 -4.488 9.846 6 2HB ASP 1 2HB ASP 1 10.874 -4.593 11.187 7 H GLU 2 H GLU 2 8.866 -2.378 9.287 8 HA GLU 2 HA GLU 2 10.679 -0.101 9.871 9 1HB GLU 2 1HB GLU 2 11.439 -1.867 8.297 10 2HB GLU 2 2HB GLU 2 10.057 -1.533 7.253 11 1HG GLU 2 1HG GLU 2 10.892 0.717 6.798 12 2HG GLU 2 2HG GLU 2 12.090 0.580 8.089 13 H ALA 3 H ALA 3 8.505 0.571 10.894 14 HA ALA 3 HA ALA 3 6.494 1.589 10.930 15 1HB ALA 3 1HB ALA 3 7.896 3.276 8.811 16 2HB ALA 3 2HB ALA 3 6.444 3.758 9.720 17 3HB ALA 3 3HB ALA 3 7.977 3.489 10.569 18 H ILE 4 H ILE 4 6.380 2.620 7.656 19 HA ILE 4 HA ILE 4 4.950 0.331 6.613 20 HB ILE 4 HB ILE 4 3.590 3.075 6.683 21 1HG1 ILE 4 1HG1 ILE 4 2.697 0.469 7.987 22 2HG1 ILE 4 2HG1 ILE 4 3.363 1.871 8.839 23 1HG2 ILE 4 1HG2 ILE 4 3.301 1.822 4.555 24 2HG2 ILE 4 2HG2 ILE 4 2.687 0.424 5.451 25 3HG2 ILE 4 3HG2 ILE 4 1.779 1.951 5.423 26 1HD1 ILE 4 1HD1 ILE 4 1.463 3.259 8.006 27 2HD1 ILE 4 2HD1 ILE 4 0.706 1.753 7.413 28 3HD1 ILE 4 3HD1 ILE 4 1.043 1.965 9.137 29 H ARG 5 H ARG 5 6.378 0.092 4.946 30 HA ARG 5 HA ARG 5 6.855 2.408 3.162 31 1HB ARG 5 1HB ARG 5 8.983 0.477 4.150 32 2HB ARG 5 2HB ARG 5 9.174 1.579 2.770 33 1HG ARG 5 1HG ARG 5 8.538 3.468 4.383 34 2HG ARG 5 2HG ARG 5 8.767 2.299 5.694 35 1HD ARG 5 1HD ARG 5 11.105 1.896 4.859 36 2HD ARG 5 2HD ARG 5 10.868 3.168 3.657 37 HE ARG 5 HE ARG 5 11.454 3.466 6.466 38 1HH1 ARG 5 1HH1 ARG 5 9.945 5.197 3.760 39 2HH1 ARG 5 2HH1 ARG 5 9.543 6.603 4.708 40 1HH2 ARG 5 1HH2 ARG 5 11.360 5.394 7.526 41 2HH2 ARG 5 2HH2 ARG 5 10.645 6.827 6.821 42 H CYS 6 H CYS 6 7.126 1.845 0.949 43 HA CYS 6 HA CYS 6 6.202 -0.931 0.316 44 1HB CYS 6 1HB CYS 6 5.440 -0.041 -1.806 45 2HB CYS 6 2HB CYS 6 4.580 0.676 -0.475 46 H THR 7 H THR 7 7.777 -2.224 -0.575 47 HA THR 7 HA THR 7 10.285 -1.071 -1.442 48 HB THR 7 HB THR 7 10.044 -3.769 -2.407 49 HG1 THR 7 HG1 THR 7 8.424 -4.259 -1.045 50 1HG2 THR 7 1HG2 THR 7 11.377 -2.569 0.056 51 2HG2 THR 7 2HG2 THR 7 11.738 -4.168 -0.637 52 3HG2 THR 7 3HG2 THR 7 12.098 -2.701 -1.569 53 H GLY 8 H GLY 8 7.327 -0.972 -3.032 54 1HA GLY 8 1HA GLY 8 8.392 0.018 -5.413 55 2HA GLY 8 2HA GLY 8 7.939 -1.666 -5.685 56 H THR 9 H THR 9 6.512 -0.113 -7.215 57 HA THR 9 HA THR 9 4.503 1.493 -6.203 58 HB THR 9 HB THR 9 4.033 -0.131 -8.707 59 HG1 THR 9 HG1 THR 9 6.019 1.861 -8.408 60 1HG2 THR 9 1HG2 THR 9 3.765 2.832 -8.046 61 2HG2 THR 9 2HG2 THR 9 3.314 2.056 -9.579 62 3HG2 THR 9 3HG2 THR 9 2.441 1.642 -8.103 63 H LYS 10 H LYS 10 4.210 -1.950 -7.156 64 HA LYS 10 HA LYS 10 1.459 -2.019 -6.100 65 1HB LYS 10 1HB LYS 10 1.150 -4.018 -7.385 66 2HB LYS 10 2HB LYS 10 1.825 -2.741 -8.393 67 1HG LYS 10 1HG LYS 10 4.139 -3.971 -7.672 68 2HG LYS 10 2HG LYS 10 3.037 -5.335 -7.481 69 1HD LYS 10 1HD LYS 10 3.514 -3.636 -9.966 70 2HD LYS 10 2HD LYS 10 4.049 -5.303 -9.712 71 1HE LYS 10 1HE LYS 10 1.705 -6.080 -9.706 72 2HE LYS 10 2HE LYS 10 1.133 -4.410 -9.889 73 1HZ LYS 10 1HZ LYS 10 2.410 -4.325 -11.991 74 2HZ LYS 10 2HZ LYS 10 2.743 -5.922 -11.850 75 3HZ LYS 10 3HZ LYS 10 1.189 -5.394 -12.040 76 H ASP 11 H ASP 11 4.302 -2.293 -4.685 77 HA ASP 11 HA ASP 11 4.593 -4.824 -3.578 78 1HB ASP 11 1HB ASP 11 6.178 -2.936 -3.632 79 2HB ASP 11 2HB ASP 11 5.233 -2.099 -2.397 80 H CYS 12 H CYS 12 3.242 -1.991 -1.881 81 HA CYS 12 HA CYS 12 2.026 -3.504 0.212 82 1HB CYS 12 1HB CYS 12 2.376 -0.681 -0.547 83 2HB CYS 12 2HB CYS 12 0.872 -0.983 0.299 84 H TYR 13 H TYR 13 0.963 -3.943 -2.766 85 HA TYR 13 HA TYR 13 -1.865 -3.262 -2.588 86 1HB TYR 13 1HB TYR 13 -0.328 -5.317 -4.221 87 2HB TYR 13 2HB TYR 13 -2.071 -5.230 -4.201 88 HD1 TYR 13 HD1 TYR 13 -0.563 -1.887 -4.033 89 HD2 TYR 13 HD2 TYR 13 -1.796 -5.084 -6.670 90 HE1 TYR 13 HE1 TYR 13 -0.740 -0.288 -5.875 91 HE2 TYR 13 HE2 TYR 13 -1.875 -3.494 -8.552 92 HH TYR 13 HH TYR 13 -1.960 -0.161 -8.173 93 H ILE 14 H ILE 14 0.134 -6.087 -1.664 94 HA ILE 14 HA ILE 14 -1.983 -7.805 -1.013 95 HB ILE 14 HB ILE 14 0.876 -7.760 0.026 96 1HG1 ILE 14 1HG1 ILE 14 -0.403 -9.352 -2.237 97 2HG1 ILE 14 2HG1 ILE 14 0.589 -7.919 -2.469 98 1HG2 ILE 14 1HG2 ILE 14 -0.589 -9.119 1.514 99 2HG2 ILE 14 2HG2 ILE 14 -1.188 -10.012 0.097 100 3HG2 ILE 14 3HG2 ILE 14 0.507 -10.142 0.608 101 1HD1 ILE 14 1HD1 ILE 14 2.516 -9.057 -1.387 102 2HD1 ILE 14 2HD1 ILE 14 1.551 -10.552 -1.320 103 3HD1 ILE 14 3HD1 ILE 14 1.958 -9.830 -2.882 104 HA PRO 15 HA PRO 15 -1.810 -6.566 3.570 105 1HB PRO 15 1HB PRO 15 -0.737 -4.148 4.362 106 2HB PRO 15 2HB PRO 15 0.151 -5.704 4.357 107 1HG PRO 15 2HG PRO 15 1.549 -4.380 2.958 108 2HG PRO 15 1HG PRO 15 0.144 -3.560 2.211 109 1HD PRO 15 1HD PRO 15 0.601 -5.245 0.591 110 2HD PRO 15 2HD PRO 15 1.047 -6.434 1.845 111 H CYS 16 H CYS 16 -2.013 -3.710 1.285 112 HA CYS 16 HA CYS 16 -4.249 -2.585 2.670 113 1HB CYS 16 1HB CYS 16 -3.358 -2.418 -0.212 114 2HB CYS 16 2HB CYS 16 -4.744 -1.520 0.420 115 H ARG 17 H ARG 17 -4.145 -4.969 -0.040 116 HA ARG 17 HA ARG 17 -6.969 -5.292 -0.277 117 1HB ARG 17 1HB ARG 17 -5.153 -6.092 -1.835 118 2HB ARG 17 2HB ARG 17 -4.769 -7.377 -0.707 119 1HG ARG 17 1HG ARG 17 -7.503 -7.039 -2.039 120 2HG ARG 17 2HG ARG 17 -6.159 -7.896 -2.756 121 1HD ARG 17 2HD ARG 17 -6.135 -9.289 -0.514 122 2HD ARG 17 1HD ARG 17 -7.191 -9.673 -1.881 123 HE ARG 17 HE ARG 17 -8.551 -7.881 -0.144 124 1HH1 ARG 17 1HH1 ARG 17 -7.371 -11.265 -0.118 125 2HH1 ARG 17 2HH1 ARG 17 -8.761 -11.851 0.744 126 1HH2 ARG 17 1HH2 ARG 17 -10.442 -8.754 0.938 127 2HH2 ARG 17 2HH2 ARG 17 -10.418 -10.392 1.471 128 H TYR 18 H TYR 18 -4.540 -6.896 1.907 129 HA TYR 18 HA TYR 18 -6.523 -8.574 3.063 130 1HB TYR 18 1HB TYR 18 -3.848 -8.540 3.215 131 2HB TYR 18 2HB TYR 18 -4.173 -7.703 4.727 132 HD1 TYR 18 HD1 TYR 18 -5.580 -8.892 6.512 133 HD2 TYR 18 HD2 TYR 18 -4.308 -10.858 2.882 134 HE1 TYR 18 HE1 TYR 18 -6.160 -11.076 7.497 135 HE2 TYR 18 HE2 TYR 18 -4.887 -13.045 3.850 136 HH TYR 18 HH TYR 18 -5.865 -14.159 5.641 137 H ILE 19 H ILE 19 -5.332 -5.378 4.143 138 HA ILE 19 HA ILE 19 -6.858 -5.340 6.574 139 HB ILE 19 HB ILE 19 -5.347 -3.178 5.049 140 1HG1 ILE 19 1HG1 ILE 19 -4.484 -4.558 7.618 141 2HG1 ILE 19 2HG1 ILE 19 -4.062 -5.230 6.064 142 1HG2 ILE 19 1HG2 ILE 19 -6.434 -3.099 7.906 143 2HG2 ILE 19 2HG2 ILE 19 -5.375 -1.875 7.178 144 3HG2 ILE 19 3HG2 ILE 19 -6.996 -2.106 6.549 145 1HD1 ILE 19 1HD1 ILE 19 -2.962 -3.036 5.449 146 2HD1 ILE 19 2HD1 ILE 19 -3.216 -2.511 7.130 147 3HD1 ILE 19 3HD1 ILE 19 -2.201 -3.917 6.784 148 H THR 20 H THR 20 -7.184 -3.447 3.497 149 HA THR 20 HA THR 20 -9.794 -2.473 4.460 150 HB THR 20 HB THR 20 -7.645 -1.125 3.566 151 HG1 THR 20 HG1 THR 20 -9.199 -0.091 4.523 152 1HG2 THR 20 1HG2 THR 20 -7.784 -1.900 1.239 153 2HG2 THR 20 2HG2 THR 20 -9.420 -1.230 1.114 154 3HG2 THR 20 3HG2 THR 20 -8.030 -0.159 1.388 155 H GLY 21 H GLY 21 -8.712 -5.051 2.555 156 1HA GLY 21 1HA GLY 21 -10.140 -6.633 1.685 157 2HA GLY 21 2HA GLY 21 -11.466 -5.478 1.702 158 H CYS 22 H CYS 22 -11.109 -3.551 0.167 159 HA CYS 22 HA CYS 22 -10.653 -4.472 -2.548 160 1HB CYS 22 1HB CYS 22 -11.211 -1.781 -1.268 161 2HB CYS 22 2HB CYS 22 -10.949 -1.960 -3.011 162 H PHE 23 H PHE 23 -8.781 -4.253 -3.759 163 HA PHE 23 HA PHE 23 -6.348 -4.124 -2.263 164 1HB PHE 23 2HB PHE 23 -6.706 -5.590 -4.212 165 2HB PHE 23 1HB PHE 23 -5.244 -4.634 -4.343 166 HD1 PHE 23 HD1 PHE 23 -5.149 -2.643 -5.924 167 HD2 PHE 23 HD2 PHE 23 -8.505 -5.367 -5.832 168 HE1 PHE 23 HE1 PHE 23 -5.927 -1.787 -8.123 169 HE2 PHE 23 HE2 PHE 23 -9.268 -4.490 -8.005 170 HZ PHE 23 HZ PHE 23 -7.992 -2.695 -9.157 171 H ASN 24 H ASN 24 -8.011 -1.453 -3.498 172 HA ASN 24 HA ASN 24 -6.077 0.066 -4.774 173 1HB ASN 24 1HB ASN 24 -8.383 0.985 -3.077 174 2HB ASN 24 2HB ASN 24 -7.377 2.097 -4.007 175 2HD2 ASN 24 1HD2 ASN 24 -10.269 1.547 -4.383 176 1HD2 ASN 24 2HD2 ASN 24 -10.443 0.893 -6.000 177 H SER 25 H SER 25 -4.128 0.381 -4.199 178 HA SER 25 HA SER 25 -3.358 1.462 -1.563 179 1HB SER 25 1HB SER 25 -3.124 -0.993 -1.687 180 2HB SER 25 2HB SER 25 -2.229 -0.854 -3.187 181 HG SER 25 HG SER 25 -1.127 -1.082 -0.981 182 H ARG 26 H ARG 26 -1.504 2.795 -1.675 183 HA ARG 26 HA ARG 26 -0.285 3.287 -4.303 184 1HB ARG 26 1HB ARG 26 -2.365 4.952 -3.372 185 2HB ARG 26 2HB ARG 26 -0.915 5.780 -2.821 186 1HG ARG 26 1HG ARG 26 -0.152 5.271 -5.387 187 2HG ARG 26 2HG ARG 26 -1.901 5.211 -5.602 188 1HD ARG 26 1HD ARG 26 -1.472 7.437 -5.989 189 2HD ARG 26 2HD ARG 26 -1.864 7.512 -4.270 190 HE ARG 26 HE ARG 26 0.802 7.161 -4.149 191 1HH1 ARG 26 1HH1 ARG 26 -0.987 9.382 -6.285 192 2HH1 ARG 26 2HH1 ARG 26 0.363 10.413 -6.580 193 1HH2 ARG 26 1HH2 ARG 26 2.556 8.298 -4.660 194 2HH2 ARG 26 2HH2 ARG 26 2.553 9.577 -5.830 195 H CYS 27 H CYS 27 1.750 4.155 -4.193 196 HA CYS 27 HA CYS 27 3.124 4.240 -1.574 197 1HB CYS 27 1HB CYS 27 4.000 4.299 -4.484 198 2HB CYS 27 2HB CYS 27 5.102 4.658 -3.166 199 H ILE 28 H ILE 28 3.715 6.231 -0.701 200 HA ILE 28 HA ILE 28 4.058 8.510 -2.474 201 HB ILE 28 HB ILE 28 1.788 8.906 -1.895 202 1HG1 ILE 28 1HG1 ILE 28 1.957 10.994 -0.537 203 2HG1 ILE 28 2HG1 ILE 28 3.630 10.618 -0.177 204 1HG2 ILE 28 1HG2 ILE 28 2.484 8.482 1.033 205 2HG2 ILE 28 2HG2 ILE 28 0.933 9.068 0.401 206 3HG2 ILE 28 3HG2 ILE 28 1.479 7.431 0.011 207 1HD1 ILE 28 1HD1 ILE 28 2.492 11.033 -2.979 208 2HD1 ILE 28 2HD1 ILE 28 3.347 12.263 -2.028 209 3HD1 ILE 28 3HD1 ILE 28 4.205 10.813 -2.563 210 H ASN 29 H ASN 29 5.964 9.366 -1.985 211 HA ASN 29 HA ASN 29 8.052 9.472 -1.028 212 1HB ASN 29 1HB ASN 29 6.185 10.433 1.159 213 2HB ASN 29 2HB ASN 29 7.933 10.398 1.407 214 2HD2 ASN 29 1HD2 ASN 29 5.522 12.556 0.467 215 1HD2 ASN 29 2HD2 ASN 29 6.548 13.523 -0.588 216 H LYS 30 H LYS 30 7.855 7.050 -1.380 217 HA LYS 30 HA LYS 30 8.221 4.962 -0.898 218 1HB LYS 30 1HB LYS 30 10.103 6.492 0.668 219 2HB LYS 30 2HB LYS 30 9.688 5.059 1.584 220 1HG LYS 30 1HG LYS 30 10.687 5.094 -1.300 221 2HG LYS 30 2HG LYS 30 11.649 4.725 0.130 222 1HD LYS 30 1HD LYS 30 9.973 2.814 0.610 223 2HD LYS 30 2HD LYS 30 9.328 3.138 -1.004 224 1HE LYS 30 2HE LYS 30 11.695 2.789 -1.902 225 2HE LYS 30 1HE LYS 30 10.805 1.373 -1.329 226 1HZ LYS 30 1HZ LYS 30 11.995 1.580 0.791 227 2HZ LYS 30 2HZ LYS 30 12.974 1.271 -0.468 228 3HZ LYS 30 3HZ LYS 30 12.915 2.791 0.169 229 H SER 31 H SER 31 6.066 6.475 1.209 230 HA SER 31 HA SER 31 5.747 4.085 2.898 231 1HB SER 31 1HB SER 31 5.948 6.448 3.822 232 2HB SER 31 2HB SER 31 4.345 6.763 3.128 233 HG SER 31 HG SER 31 5.019 4.659 4.946 234 H CYS 32 H CYS 32 3.602 3.197 3.165 235 HA CYS 32 HA CYS 32 2.161 3.082 0.583 236 1HB CYS 32 2HB CYS 32 1.161 1.103 1.372 237 2HB CYS 32 1HB CYS 32 1.562 1.419 3.045 238 H LYS 33 H LYS 33 -0.038 3.549 0.438 239 HA LYS 33 HA LYS 33 -1.557 4.317 2.867 240 1HB LYS 33 1HB LYS 33 -1.410 5.880 0.240 241 2HB LYS 33 2HB LYS 33 -2.627 6.131 1.490 242 1HG LYS 33 1HG LYS 33 0.366 6.558 1.882 243 2HG LYS 33 2HG LYS 33 -0.814 7.820 1.507 244 1HD LYS 33 1HD LYS 33 -2.034 7.267 3.626 245 2HD LYS 33 2HD LYS 33 -0.737 6.117 4.021 246 1HE LYS 33 1HE LYS 33 0.932 7.932 3.934 247 2HE LYS 33 2HE LYS 33 -0.331 9.090 3.503 248 1HZ LYS 33 1HZ LYS 33 -1.367 8.650 5.676 249 2HZ LYS 33 2HZ LYS 33 -0.151 7.614 6.070 250 3HZ LYS 33 3HZ LYS 33 0.158 9.198 5.820 251 H CYS 34 H CYS 34 -3.521 3.267 2.819 252 HA CYS 34 HA CYS 34 -4.278 1.834 0.315 253 1HB CYS 34 1HB CYS 34 -5.510 1.576 3.065 254 2HB CYS 34 2HB CYS 34 -5.686 0.497 1.696 255 H TYR 35 H TYR 35 -6.306 2.378 -0.587 256 HA TYR 35 HA TYR 35 -7.821 4.576 0.775 257 1HB TYR 35 1HB TYR 35 -7.086 4.442 -2.163 258 2HB TYR 35 2HB TYR 35 -8.243 5.557 -1.446 259 HD1 TYR 35 HD1 TYR 35 -7.399 7.004 0.599 260 HD2 TYR 35 HD2 TYR 35 -4.799 5.164 -2.313 261 HE1 TYR 35 HE1 TYR 35 -5.616 8.566 1.232 262 HE2 TYR 35 HE2 TYR 35 -2.995 6.744 -1.686 263 HH TYR 35 HH TYR 35 -3.298 9.016 1.048 264 H GLY 36 H GLY 36 -7.927 1.479 -0.565 265 1HA GLY 36 1HA GLY 36 -9.623 -0.004 -0.831 266 2HA GLY 36 2HA GLY 36 -10.552 1.036 0.258 267 H CYS 37 H CYS 37 -12.341 0.167 -1.149 268 HA CYS 37 HA CYS 37 -12.537 1.155 -3.915 269 1HB CYS 37 1HB CYS 37 -15.028 0.301 -3.217 270 2HB CYS 37 2HB CYS 37 -13.802 -0.674 -3.997 271 H THR 38 H THR 38 -13.832 1.836 -0.652 272 HA THR 38 HA THR 38 -15.165 3.413 0.180 273 HB THR 38 HB THR 38 -13.566 5.214 -1.688 274 HG1 THR 38 HG1 THR 38 -12.164 4.231 -0.363 275 1HG2 THR 38 1HG2 THR 38 -15.271 5.832 0.768 276 2HG2 THR 38 2HG2 THR 38 -13.960 6.889 0.218 277 3HG2 THR 38 3HG2 THR 38 -15.347 6.588 -0.834 No H/Q in entry = 277 Start of MODEL 4 1 H1 ASP 1 H1 ASP 1 9.485 0.403 13.572 2 H2 ASP 1 H2 ASP 1 10.466 1.129 12.462 3 H3 ASP 1 H3 ASP 1 10.803 1.238 14.082 4 HA ASP 1 HA ASP 1 8.973 2.546 14.534 5 1HB ASP 1 1HB ASP 1 11.045 3.480 13.050 6 2HB ASP 1 2HB ASP 1 9.699 3.905 11.984 7 H GLU 2 H GLU 2 7.075 3.820 13.515 8 HA GLU 2 HA GLU 2 5.392 1.882 12.141 9 1HB GLU 2 1HB GLU 2 4.923 3.931 13.957 10 2HB GLU 2 2HB GLU 2 4.304 4.625 12.470 11 1HG GLU 2 2HG GLU 2 2.516 3.450 13.628 12 2HG GLU 2 1HG GLU 2 3.511 2.001 13.815 13 H ALA 3 H ALA 3 3.864 3.602 10.463 14 HA ALA 3 HA ALA 3 3.658 4.256 8.375 15 1HB ALA 3 2HB ALA 3 6.557 5.168 8.406 16 2HB ALA 3 1HB ALA 3 5.155 6.134 8.919 17 3HB ALA 3 3HB ALA 3 5.299 5.580 7.237 18 H ILE 4 H ILE 4 3.203 2.299 7.413 19 HA ILE 4 HA ILE 4 5.322 0.354 7.121 20 HB ILE 4 HB ILE 4 2.930 -0.109 7.664 21 1HG1 ILE 4 1HG1 ILE 4 4.406 -1.903 7.253 22 2HG1 ILE 4 2HG1 ILE 4 2.840 -2.256 6.546 23 1HG2 ILE 4 1HG2 ILE 4 1.838 1.250 5.910 24 2HG2 ILE 4 2HG2 ILE 4 2.363 0.069 4.703 25 3HG2 ILE 4 3HG2 ILE 4 1.262 -0.420 5.998 26 1HD1 ILE 4 1HD1 ILE 4 3.862 -1.597 4.272 27 2HD1 ILE 4 2HD1 ILE 4 5.431 -1.569 5.116 28 3HD1 ILE 4 3HD1 ILE 4 4.502 -3.059 5.043 29 H ARG 5 H ARG 5 6.769 0.391 5.595 30 HA ARG 5 HA ARG 5 6.446 2.240 3.301 31 1HB ARG 5 1HB ARG 5 8.967 2.121 3.218 32 2HB ARG 5 2HB ARG 5 8.277 2.859 4.663 33 1HG ARG 5 1HG ARG 5 8.707 0.881 5.995 34 2HG ARG 5 2HG ARG 5 9.188 -0.044 4.560 35 1HD ARG 5 1HD ARG 5 11.162 1.387 4.257 36 2HD ARG 5 2HD ARG 5 10.617 2.457 5.550 37 HE ARG 5 HE ARG 5 11.511 1.074 7.105 38 1HH1 ARG 5 1HH1 ARG 5 11.141 -0.847 4.147 39 2HH1 ARG 5 2HH1 ARG 5 11.903 -2.255 4.768 40 1HH2 ARG 5 1HH2 ARG 5 12.391 -0.777 8.000 41 2HH2 ARG 5 2HH2 ARG 5 12.606 -2.234 7.103 42 H CYS 6 H CYS 6 7.547 1.668 1.223 43 HA CYS 6 HA CYS 6 7.551 -1.238 0.586 44 1HB CYS 6 1HB CYS 6 6.350 -0.461 -1.580 45 2HB CYS 6 2HB CYS 6 5.393 -0.735 -0.145 46 H THR 7 H THR 7 8.841 -1.775 -1.195 47 HA THR 7 HA THR 7 10.804 0.193 -2.058 48 HB THR 7 HB THR 7 10.326 -2.725 -2.749 49 HG1 THR 7 HG1 THR 7 12.603 -2.270 -1.514 50 1HG2 THR 7 1HG2 THR 7 12.677 -0.941 -3.505 51 2HG2 THR 7 2HG2 THR 7 12.591 -2.707 -3.722 52 3HG2 THR 7 3HG2 THR 7 11.505 -1.658 -4.633 53 H GLY 8 H GLY 8 8.096 -1.669 -3.633 54 1HA GLY 8 1HA GLY 8 8.042 0.397 -5.795 55 2HA GLY 8 2HA GLY 8 7.786 -1.327 -6.040 56 H THR 9 H THR 9 6.062 0.946 -6.596 57 HA THR 9 HA THR 9 3.931 1.518 -5.064 58 HB THR 9 HB THR 9 4.001 0.884 -8.030 59 HG1 THR 9 HG1 THR 9 4.072 3.439 -6.893 60 1HG2 THR 9 1HG2 THR 9 1.970 2.478 -6.407 61 2HG2 THR 9 2HG2 THR 9 2.134 2.545 -8.180 62 3HG2 THR 9 3HG2 THR 9 1.672 1.038 -7.387 63 H LYS 10 H LYS 10 4.038 -1.434 -7.170 64 HA LYS 10 HA LYS 10 1.380 -2.125 -6.129 65 1HB LYS 10 1HB LYS 10 3.024 -3.309 -8.369 66 2HB LYS 10 2HB LYS 10 1.428 -3.884 -7.858 67 1HG LYS 10 1HG LYS 10 0.414 -1.699 -8.338 68 2HG LYS 10 2HG LYS 10 1.989 -1.012 -8.745 69 1HD LYS 10 2HD LYS 10 2.193 -2.537 -10.655 70 2HD LYS 10 1HD LYS 10 0.800 -1.446 -10.774 71 1HE LYS 10 1HE LYS 10 0.697 -4.335 -9.838 72 2HE LYS 10 2HE LYS 10 -0.702 -3.265 -9.980 73 1HZ LYS 10 1HZ LYS 10 1.043 -3.981 -12.261 74 2HZ LYS 10 2HZ LYS 10 -0.357 -4.790 -11.869 75 3HZ LYS 10 3HZ LYS 10 -0.412 -3.223 -12.323 76 H ASP 11 H ASP 11 4.528 -2.670 -5.091 77 HA ASP 11 HA ASP 11 4.485 -5.388 -4.338 78 1HB ASP 11 1HB ASP 11 5.614 -3.064 -2.708 79 2HB ASP 11 2HB ASP 11 5.992 -4.760 -2.507 80 H CYS 12 H CYS 12 3.331 -2.462 -2.670 81 HA CYS 12 HA CYS 12 2.388 -3.881 -0.377 82 1HB CYS 12 1HB CYS 12 2.825 -1.183 -1.070 83 2HB CYS 12 2HB CYS 12 1.112 -1.291 -0.656 84 H TYR 13 H TYR 13 1.005 -4.011 -3.468 85 HA TYR 13 HA TYR 13 -1.792 -3.799 -2.730 86 1HB TYR 13 1HB TYR 13 -0.376 -5.131 -5.061 87 2HB TYR 13 2HB TYR 13 -2.066 -5.364 -4.749 88 HD1 TYR 13 HD1 TYR 13 -0.117 -2.132 -4.492 89 HD2 TYR 13 HD2 TYR 13 -3.179 -4.385 -6.527 90 HE1 TYR 13 HE1 TYR 13 -0.640 -0.162 -5.862 91 HE2 TYR 13 HE2 TYR 13 -3.748 -2.387 -7.870 92 HH TYR 13 HH TYR 13 -3.445 0.028 -7.967 93 H ILE 14 H ILE 14 0.691 -6.375 -2.516 94 HA ILE 14 HA ILE 14 -1.145 -8.489 -1.926 95 HB ILE 14 HB ILE 14 1.801 -8.075 -1.404 96 1HG1 ILE 14 1HG1 ILE 14 1.006 -8.630 -3.700 97 2HG1 ILE 14 2HG1 ILE 14 2.158 -9.760 -3.014 98 1HG2 ILE 14 1HG2 ILE 14 0.174 -10.451 -0.422 99 2HG2 ILE 14 2HG2 ILE 14 1.940 -10.470 -0.646 100 3HG2 ILE 14 3HG2 ILE 14 1.211 -9.388 0.535 101 1HD1 ILE 14 1HD1 ILE 14 -0.849 -10.235 -3.177 102 2HD1 ILE 14 2HD1 ILE 14 0.386 -10.943 -4.233 103 3HD1 ILE 14 3HD1 ILE 14 0.347 -11.380 -2.531 104 HA PRO 15 HA PRO 15 -0.714 -7.769 2.675 105 1HB PRO 15 1HB PRO 15 0.410 -5.503 3.759 106 2HB PRO 15 2HB PRO 15 1.314 -7.007 3.415 107 1HG PRO 15 2HG PRO 15 2.571 -5.442 2.119 108 2HG PRO 15 1HG PRO 15 1.092 -4.532 1.676 109 1HD PRO 15 1HD PRO 15 1.371 -5.889 -0.252 110 2HD PRO 15 2HD PRO 15 2.001 -7.249 0.711 111 H CYS 16 H CYS 16 -1.079 -4.582 0.909 112 HA CYS 16 HA CYS 16 -3.129 -3.638 2.604 113 1HB CYS 16 1HB CYS 16 -1.992 -2.210 0.999 114 2HB CYS 16 2HB CYS 16 -2.681 -3.121 -0.353 115 H ARG 17 H ARG 17 -3.446 -5.569 -0.486 116 HA ARG 17 HA ARG 17 -6.304 -5.646 -0.217 117 1HB ARG 17 1HB ARG 17 -4.973 -5.975 -2.326 118 2HB ARG 17 2HB ARG 17 -4.530 -7.599 -1.769 119 1HG ARG 17 1HG ARG 17 -7.422 -6.731 -1.877 120 2HG ARG 17 2HG ARG 17 -6.604 -7.126 -3.378 121 1HD ARG 17 1HD ARG 17 -6.560 -9.362 -2.991 122 2HD ARG 17 2HD ARG 17 -6.254 -9.178 -1.259 123 HE ARG 17 HE ARG 17 -8.391 -9.557 -0.871 124 1HH1 ARG 17 1HH1 ARG 17 -8.291 -8.229 -4.148 125 2HH1 ARG 17 2HH1 ARG 17 -10.009 -7.964 -4.261 126 1HH2 ARG 17 1HH2 ARG 17 -10.666 -9.333 -1.067 127 2HH2 ARG 17 2HH2 ARG 17 -11.381 -8.680 -2.495 128 H TYR 18 H TYR 18 -3.655 -7.731 1.042 129 HA TYR 18 HA TYR 18 -5.366 -9.774 2.005 130 1HB TYR 18 1HB TYR 18 -2.745 -9.596 1.905 131 2HB TYR 18 2HB TYR 18 -2.886 -8.920 3.514 132 HD1 TYR 18 HD1 TYR 18 -3.909 -10.414 5.372 133 HD2 TYR 18 HD2 TYR 18 -2.946 -11.880 1.419 134 HE1 TYR 18 HE1 TYR 18 -3.792 -12.720 6.251 135 HE2 TYR 18 HE2 TYR 18 -2.912 -14.185 2.285 136 HH TYR 18 HH TYR 18 -3.324 -14.963 5.770 137 H ILE 19 H ILE 19 -4.315 -6.727 3.530 138 HA ILE 19 HA ILE 19 -5.555 -7.229 6.081 139 HB ILE 19 HB ILE 19 -4.244 -4.816 4.769 140 1HG1 ILE 19 1HG1 ILE 19 -3.203 -6.473 7.102 141 2HG1 ILE 19 2HG1 ILE 19 -2.875 -6.938 5.451 142 1HG2 ILE 19 1HG2 ILE 19 -5.153 -5.054 7.669 143 2HG2 ILE 19 2HG2 ILE 19 -4.132 -3.760 7.010 144 3HG2 ILE 19 3HG2 ILE 19 -5.782 -3.911 6.463 145 1HD1 ILE 19 1HD1 ILE 19 -1.930 -4.557 5.091 146 2HD1 ILE 19 2HD1 ILE 19 -1.942 -4.430 6.866 147 3HD1 ILE 19 3HD1 ILE 19 -0.990 -5.689 6.065 148 H THR 20 H THR 20 -6.267 -4.841 3.455 149 HA THR 20 HA THR 20 -8.719 -4.122 4.892 150 HB THR 20 HB THR 20 -6.718 -2.634 3.976 151 HG1 THR 20 HG1 THR 20 -9.126 -2.148 4.842 152 1HG2 THR 20 1HG2 THR 20 -7.091 -3.118 1.572 153 2HG2 THR 20 2HG2 THR 20 -8.682 -2.337 1.692 154 3HG2 THR 20 3HG2 THR 20 -7.209 -1.400 1.982 155 H GLY 21 H GLY 21 -7.918 -6.168 2.236 156 1HA GLY 21 1HA GLY 21 -9.348 -7.432 0.969 157 2HA GLY 21 2HA GLY 21 -10.733 -6.567 1.628 158 H CYS 22 H CYS 22 -10.163 -3.911 0.921 159 HA CYS 22 HA CYS 22 -10.527 -3.928 -1.960 160 1HB CYS 22 1HB CYS 22 -10.102 -1.643 0.003 161 2HB CYS 22 2HB CYS 22 -10.389 -1.451 -1.731 162 H PHE 23 H PHE 23 -9.233 -2.901 -3.482 163 HA PHE 23 HA PHE 23 -6.319 -3.114 -3.036 164 1HB PHE 23 1HB PHE 23 -6.035 -3.424 -5.296 165 2HB PHE 23 2HB PHE 23 -7.475 -4.347 -4.945 166 HD1 PHE 23 HD1 PHE 23 -9.733 -2.549 -5.147 167 HD2 PHE 23 HD2 PHE 23 -6.071 -2.479 -7.421 168 HE1 PHE 23 HE1 PHE 23 -10.851 -1.227 -6.899 169 HE2 PHE 23 HE2 PHE 23 -7.202 -1.194 -9.190 170 HZ PHE 23 HZ PHE 23 -9.614 -0.547 -8.923 171 H ASN 24 H ASN 24 -6.023 -1.249 -5.374 172 HA ASN 24 HA ASN 24 -5.415 0.823 -5.819 173 1HB ASN 24 1HB ASN 24 -7.868 1.224 -5.796 174 2HB ASN 24 2HB ASN 24 -7.717 1.797 -4.128 175 2HD2 ASN 24 1HD2 ASN 24 -8.627 3.832 -5.140 176 1HD2 ASN 24 2HD2 ASN 24 -7.435 5.001 -5.722 177 H SER 25 H SER 25 -3.706 -0.204 -4.332 178 HA SER 25 HA SER 25 -3.063 1.474 -2.041 179 1HB SER 25 1HB SER 25 -1.186 -0.462 -3.355 180 2HB SER 25 2HB SER 25 -1.305 -0.008 -1.658 181 HG SER 25 HG SER 25 -3.243 -1.182 -1.538 182 H ARG 26 H ARG 26 -1.139 2.810 -2.073 183 HA ARG 26 HA ARG 26 0.068 3.457 -4.656 184 1HB ARG 26 1HB ARG 26 -2.069 4.999 -3.940 185 2HB ARG 26 2HB ARG 26 -0.820 5.797 -2.966 186 1HG ARG 26 1HG ARG 26 0.550 6.056 -5.061 187 2HG ARG 26 2HG ARG 26 -0.788 5.315 -5.957 188 1HD ARG 26 1HD ARG 26 -2.290 7.160 -5.236 189 2HD ARG 26 2HD ARG 26 -0.911 7.953 -4.443 190 HE ARG 26 HE ARG 26 0.068 7.562 -6.928 191 1HH1 ARG 26 1HH1 ARG 26 -2.912 9.234 -5.936 192 2HH1 ARG 26 2HH1 ARG 26 -3.228 9.845 -7.539 193 1HH2 ARG 26 1HH2 ARG 26 -0.184 8.586 -8.847 194 2HH2 ARG 26 2HH2 ARG 26 -1.547 9.578 -9.202 195 H CYS 27 H CYS 27 2.229 3.760 -4.308 196 HA CYS 27 HA CYS 27 3.199 3.919 -1.502 197 1HB CYS 27 1HB CYS 27 4.601 3.313 -4.119 198 2HB CYS 27 2HB CYS 27 5.464 3.711 -2.649 199 H ILE 28 H ILE 28 3.416 5.943 -0.780 200 HA ILE 28 HA ILE 28 3.729 8.199 -2.663 201 HB ILE 28 HB ILE 28 1.712 8.434 -1.463 202 1HG1 ILE 28 1HG1 ILE 28 2.123 10.509 -0.183 203 2HG1 ILE 28 2HG1 ILE 28 3.852 10.192 -0.228 204 1HG2 ILE 28 1HG2 ILE 28 3.181 7.937 1.141 205 2HG2 ILE 28 2HG2 ILE 28 1.519 8.531 0.996 206 3HG2 ILE 28 3HG2 ILE 28 1.924 6.922 0.407 207 1HD1 ILE 28 1HD1 ILE 28 2.092 10.498 -2.708 208 2HD1 ILE 28 2HD1 ILE 28 2.965 11.833 -1.949 209 3HD1 ILE 28 3HD1 ILE 28 3.872 10.483 -2.655 210 H ASN 29 H ASN 29 5.736 8.543 -2.974 211 HA ASN 29 HA ASN 29 7.934 8.707 -2.858 212 1HB ASN 29 1HB ASN 29 7.499 10.457 -1.178 213 2HB ASN 29 2HB ASN 29 7.692 9.269 0.117 214 2HD2 ASN 29 1HD2 ASN 29 9.350 11.702 -0.554 215 1HD2 ASN 29 2HD2 ASN 29 10.969 11.069 -0.759 216 H LYS 30 H LYS 30 7.503 7.183 0.338 217 HA LYS 30 HA LYS 30 8.376 4.581 -0.756 218 1HB LYS 30 1HB LYS 30 10.107 6.324 0.755 219 2HB LYS 30 2HB LYS 30 9.681 5.011 1.829 220 1HG LYS 30 1HG LYS 30 10.426 4.152 -0.941 221 2HG LYS 30 2HG LYS 30 11.687 5.013 -0.072 222 1HD LYS 30 1HD LYS 30 11.724 3.407 1.712 223 2HD LYS 30 2HD LYS 30 10.233 2.646 1.142 224 1HE LYS 30 1HE LYS 30 12.240 1.302 0.560 225 2HE LYS 30 2HE LYS 30 11.302 1.810 -0.852 226 1HZ LYS 30 1HZ LYS 30 13.771 3.170 0.026 227 2HZ LYS 30 2HZ LYS 30 13.670 2.059 -1.189 228 3HZ LYS 30 3HZ LYS 30 12.889 3.463 -1.349 229 H SER 31 H SER 31 6.046 6.224 0.969 230 HA SER 31 HA SER 31 5.681 4.135 3.034 231 1HB SER 31 1HB SER 31 5.591 6.883 3.161 232 2HB SER 31 2HB SER 31 3.889 6.511 2.863 233 HG SER 31 HG SER 31 5.397 6.220 5.069 234 H CYS 32 H CYS 32 3.828 2.729 2.883 235 HA CYS 32 HA CYS 32 2.338 2.753 0.344 236 1HB CYS 32 2HB CYS 32 1.181 0.835 1.253 237 2HB CYS 32 1HB CYS 32 1.796 1.137 2.865 238 H LYS 33 H LYS 33 0.203 3.435 0.115 239 HA LYS 33 HA LYS 33 -1.438 3.919 2.514 240 1HB LYS 33 1HB LYS 33 -0.652 5.994 0.445 241 2HB LYS 33 2HB LYS 33 -2.333 5.934 0.952 242 1HG LYS 33 1HG LYS 33 -0.003 6.331 2.866 243 2HG LYS 33 2HG LYS 33 -1.062 7.591 2.224 244 1HD LYS 33 1HD LYS 33 -3.036 6.240 3.207 245 2HD LYS 33 2HD LYS 33 -1.811 5.319 4.098 246 1HE LYS 33 1HE LYS 33 -0.986 7.453 5.104 247 2HE LYS 33 2HE LYS 33 -2.291 8.321 4.264 248 1HZ LYS 33 1HZ LYS 33 -3.867 6.883 5.468 249 2HZ LYS 33 2HZ LYS 33 -2.605 6.211 6.296 250 3HZ LYS 33 3HZ LYS 33 -2.953 7.788 6.493 251 H CYS 34 H CYS 34 -3.779 3.693 1.908 252 HA CYS 34 HA CYS 34 -4.169 2.623 -0.827 253 1HB CYS 34 1HB CYS 34 -5.209 1.340 1.720 254 2HB CYS 34 2HB CYS 34 -5.706 0.918 0.078 255 H TYR 35 H TYR 35 -6.187 2.926 -1.696 256 HA TYR 35 HA TYR 35 -7.768 5.052 -0.325 257 1HB TYR 35 1HB TYR 35 -6.765 5.000 -3.176 258 2HB TYR 35 2HB TYR 35 -7.877 6.196 -2.504 259 HD1 TYR 35 HD1 TYR 35 -7.172 7.676 -0.600 260 HD2 TYR 35 HD2 TYR 35 -4.385 5.083 -2.643 261 HE1 TYR 35 HE1 TYR 35 -5.311 8.929 0.394 262 HE2 TYR 35 HE2 TYR 35 -2.495 6.362 -1.644 263 HH TYR 35 HH TYR 35 -3.011 9.130 0.564 264 H GLY 36 H GLY 36 -8.194 2.078 -0.750 265 1HA GLY 36 1HA GLY 36 -10.793 2.084 -2.204 266 2HA GLY 36 2HA GLY 36 -9.902 0.674 -1.576 267 H CYS 37 H CYS 37 -11.875 0.091 -0.360 268 HA CYS 37 HA CYS 37 -12.955 1.693 1.740 269 1HB CYS 37 1HB CYS 37 -13.820 -0.420 2.603 270 2HB CYS 37 2HB CYS 37 -14.132 -0.257 0.890 271 H THR 38 H THR 38 -12.692 1.100 4.099 272 HA THR 38 HA THR 38 -9.984 0.292 4.871 273 HB THR 38 HB THR 38 -10.096 2.798 4.519 274 HG1 THR 38 HG1 THR 38 -9.450 1.686 7.019 275 1HG2 THR 38 1HG2 THR 38 -12.374 3.228 5.396 276 2HG2 THR 38 2HG2 THR 38 -11.822 2.783 7.025 277 3HG2 THR 38 3HG2 THR 38 -11.136 4.200 6.206 No H/Q in entry = 277 Start of MODEL 5 1 H1 ASP 1 H1 ASP 1 5.880 2.050 14.635 2 H2 ASP 1 H2 ASP 1 5.697 0.939 15.832 3 H3 ASP 1 H3 ASP 1 6.212 2.470 16.187 4 HA ASP 1 HA ASP 1 8.246 2.171 15.125 5 1HB ASP 1 1HB ASP 1 7.753 -0.338 16.727 6 2HB ASP 1 2HB ASP 1 9.293 0.483 16.470 7 H GLU 2 H GLU 2 7.417 1.827 12.741 8 HA GLU 2 HA GLU 2 8.153 -0.854 11.823 9 1HB GLU 2 1HB GLU 2 5.717 -0.967 12.388 10 2HB GLU 2 2HB GLU 2 5.421 0.412 11.326 11 1HG GLU 2 1HG GLU 2 6.315 -0.972 9.399 12 2HG GLU 2 2HG GLU 2 6.447 -2.341 10.504 13 H ALA 3 H ALA 3 8.852 -0.745 9.657 14 HA ALA 3 HA ALA 3 9.199 1.951 8.460 15 1HB ALA 3 1HB ALA 3 10.331 -0.791 7.719 16 2HB ALA 3 2HB ALA 3 10.686 0.745 6.893 17 3HB ALA 3 3HB ALA 3 11.196 0.499 8.573 18 H ILE 4 H ILE 4 6.927 2.206 8.098 19 HA ILE 4 HA ILE 4 5.380 0.204 6.698 20 HB ILE 4 HB ILE 4 4.529 3.080 7.216 21 1HG1 ILE 4 1HG1 ILE 4 4.302 0.759 9.166 22 2HG1 ILE 4 2HG1 ILE 4 5.390 2.136 9.354 23 1HG2 ILE 4 1HG2 ILE 4 3.123 1.609 5.723 24 2HG2 ILE 4 2HG2 ILE 4 2.977 0.444 7.047 25 3HG2 ILE 4 3HG2 ILE 4 2.268 2.064 7.186 26 1HD1 ILE 4 1HD1 ILE 4 3.445 3.669 9.424 27 2HD1 ILE 4 2HD1 ILE 4 2.372 2.248 9.440 28 3HD1 ILE 4 3HD1 ILE 4 3.514 2.501 10.759 29 H ARG 5 H ARG 5 6.968 0.114 4.951 30 HA ARG 5 HA ARG 5 6.430 2.046 2.785 31 1HB ARG 5 1HB ARG 5 9.167 1.124 3.757 32 2HB ARG 5 2HB ARG 5 8.905 1.997 2.254 33 1HG ARG 5 1HG ARG 5 7.799 3.835 3.777 34 2HG ARG 5 2HG ARG 5 8.600 2.968 5.101 35 1HD ARG 5 1HD ARG 5 10.703 3.134 3.467 36 2HD ARG 5 2HD ARG 5 9.805 4.485 2.771 37 HE ARG 5 HE ARG 5 10.931 4.201 5.501 38 1HH1 ARG 5 1HH1 ARG 5 9.074 6.420 3.415 39 2HH1 ARG 5 2HH1 ARG 5 9.652 7.822 4.279 40 1HH2 ARG 5 1HH2 ARG 5 11.458 5.955 6.619 41 2HH2 ARG 5 2HH2 ARG 5 11.081 7.587 6.079 42 H CYS 6 H CYS 6 7.460 1.327 0.761 43 HA CYS 6 HA CYS 6 7.259 -1.528 0.148 44 1HB CYS 6 1HB CYS 6 5.902 -0.506 -1.905 45 2HB CYS 6 2HB CYS 6 5.119 -1.124 -0.448 46 H THR 7 H THR 7 8.028 -1.848 -2.167 47 HA THR 7 HA THR 7 10.170 0.096 -2.840 48 HB THR 7 HB THR 7 10.109 -2.923 -2.666 49 HG1 THR 7 HG1 THR 7 11.462 -2.615 -1.062 50 1HG2 THR 7 1HG2 THR 7 11.410 -2.192 -4.718 51 2HG2 THR 7 2HG2 THR 7 12.511 -1.336 -3.619 52 3HG2 THR 7 3HG2 THR 7 12.296 -3.091 -3.479 53 H GLY 8 H GLY 8 8.264 -2.628 -4.262 54 1HA GLY 8 1HA GLY 8 8.402 -1.458 -6.938 55 2HA GLY 8 2HA GLY 8 7.402 -2.830 -6.405 56 H THR 9 H THR 9 6.479 -0.635 -8.040 57 HA THR 9 HA THR 9 5.059 1.375 -6.796 58 HB THR 9 HB THR 9 4.128 -0.238 -9.201 59 HG1 THR 9 HG1 THR 9 5.930 1.918 -9.344 60 1HG2 THR 9 1HG2 THR 9 3.935 2.731 -8.538 61 2HG2 THR 9 2HG2 THR 9 3.426 1.975 -10.062 62 3HG2 THR 9 3HG2 THR 9 2.593 1.566 -8.552 63 H LYS 10 H LYS 10 3.838 -1.960 -7.570 64 HA LYS 10 HA LYS 10 1.425 -1.322 -5.994 65 1HB LYS 10 1HB LYS 10 0.354 -3.171 -6.981 66 2HB LYS 10 2HB LYS 10 1.156 -2.252 -8.249 67 1HG LYS 10 1HG LYS 10 2.972 -4.003 -8.267 68 2HG LYS 10 2HG LYS 10 2.110 -4.876 -6.997 69 1HD LYS 10 1HD LYS 10 1.605 -5.905 -9.094 70 2HD LYS 10 2HD LYS 10 0.137 -5.102 -8.536 71 1HE LYS 10 1HE LYS 10 0.358 -3.333 -10.129 72 2HE LYS 10 2HE LYS 10 2.075 -3.695 -10.403 73 1HZ LYS 10 1HZ LYS 10 -0.120 -5.481 -11.259 74 2HZ LYS 10 2HZ LYS 10 0.734 -4.437 -12.230 75 3HZ LYS 10 3HZ LYS 10 1.486 -5.688 -11.511 76 H ASP 11 H ASP 11 4.279 -2.222 -4.910 77 HA ASP 11 HA ASP 11 4.158 -4.739 -3.775 78 1HB ASP 11 1HB ASP 11 5.498 -2.178 -3.014 79 2HB ASP 11 2HB ASP 11 5.420 -3.402 -1.761 80 H CYS 12 H CYS 12 3.074 -1.743 -2.141 81 HA CYS 12 HA CYS 12 2.164 -3.257 0.127 82 1HB CYS 12 1HB CYS 12 3.050 -0.766 -0.202 83 2HB CYS 12 2HB CYS 12 1.333 -0.411 -0.147 84 H TYR 13 H TYR 13 0.668 -3.299 -2.783 85 HA TYR 13 HA TYR 13 -2.088 -2.715 -2.147 86 1HB TYR 13 1HB TYR 13 -0.807 -4.711 -4.059 87 2HB TYR 13 2HB TYR 13 -2.530 -4.581 -3.819 88 HD1 TYR 13 HD1 TYR 13 -0.528 -1.401 -3.994 89 HD2 TYR 13 HD2 TYR 13 -2.860 -4.344 -6.129 90 HE1 TYR 13 HE1 TYR 13 -0.577 0.065 -5.953 91 HE2 TYR 13 HE2 TYR 13 -2.968 -2.883 -8.067 92 HH TYR 13 HH TYR 13 -2.339 -0.888 -8.964 93 H ILE 14 H ILE 14 -0.010 -5.611 -1.877 94 HA ILE 14 HA ILE 14 -1.942 -7.451 -1.112 95 HB ILE 14 HB ILE 14 1.057 -7.396 -0.569 96 1HG1 ILE 14 2HG1 ILE 14 -0.700 -8.515 -2.773 97 2HG1 ILE 14 1HG1 ILE 14 0.805 -9.326 -2.354 98 1HG2 ILE 14 1HG2 ILE 14 -0.911 -9.692 -0.200 99 2HG2 ILE 14 2HG2 ILE 14 0.862 -9.819 -0.150 100 3HG2 ILE 14 3HG2 ILE 14 0.024 -8.891 1.084 101 1HD1 ILE 14 1HD1 ILE 14 2.083 -7.264 -2.793 102 2HD1 ILE 14 2HD1 ILE 14 1.228 -7.901 -4.204 103 3HD1 ILE 14 3HD1 ILE 14 0.593 -6.480 -3.372 104 HA PRO 15 HA PRO 15 -1.168 -6.810 3.527 105 1HB PRO 15 1HB PRO 15 0.022 -4.500 4.470 106 2HB PRO 15 2HB PRO 15 0.869 -6.045 4.166 107 1HG PRO 15 2HG PRO 15 2.107 -4.599 2.730 108 2HG PRO 15 1HG PRO 15 0.638 -3.648 2.328 109 1HD PRO 15 1HD PRO 15 0.813 -5.093 0.447 110 2HD PRO 15 2HD PRO 15 1.370 -6.453 1.458 111 H CYS 16 H CYS 16 -1.624 -3.626 1.833 112 HA CYS 16 HA CYS 16 -3.666 -2.628 3.525 113 1HB CYS 16 1HB CYS 16 -2.671 -1.272 1.817 114 2HB CYS 16 2HB CYS 16 -3.231 -2.356 0.548 115 H ARG 17 H ARG 17 -3.946 -4.726 0.590 116 HA ARG 17 HA ARG 17 -6.765 -5.064 0.798 117 1HB ARG 17 1HB ARG 17 -5.458 -5.477 -1.232 118 2HB ARG 17 2HB ARG 17 -4.619 -6.823 -0.450 119 1HG ARG 17 1HG ARG 17 -6.707 -8.094 -0.303 120 2HG ARG 17 2HG ARG 17 -7.627 -6.718 -0.964 121 1HD ARG 17 1HD ARG 17 -6.503 -6.861 -3.075 122 2HD ARG 17 2HD ARG 17 -5.277 -7.968 -2.428 123 HE ARG 17 HE ARG 17 -7.946 -9.028 -2.182 124 1HH1 ARG 17 1HH1 ARG 17 -5.354 -8.485 -4.619 125 2HH1 ARG 17 2HH1 ARG 17 -5.722 -9.979 -5.454 126 1HH2 ARG 17 1HH2 ARG 17 -8.397 -10.946 -3.405 127 2HH2 ARG 17 2HH2 ARG 17 -7.492 -11.332 -4.815 128 H TYR 18 H TYR 18 -4.030 -6.825 2.328 129 HA TYR 18 HA TYR 18 -5.658 -8.829 3.520 130 1HB TYR 18 1HB TYR 18 -2.941 -8.238 3.468 131 2HB TYR 18 2HB TYR 18 -3.348 -7.919 5.141 132 HD1 TYR 18 HD1 TYR 18 -3.361 -10.441 2.407 133 HD2 TYR 18 HD2 TYR 18 -3.823 -9.797 6.659 134 HE1 TYR 18 HE1 TYR 18 -3.208 -12.881 2.793 135 HE2 TYR 18 HE2 TYR 18 -3.612 -12.217 7.051 136 HH TYR 18 HH TYR 18 -3.240 -14.316 6.096 137 H ILE 19 H ILE 19 -4.840 -5.518 4.576 138 HA ILE 19 HA ILE 19 -6.069 -5.783 7.189 139 HB ILE 19 HB ILE 19 -4.935 -3.462 5.582 140 1HG1 ILE 19 1HG1 ILE 19 -3.732 -4.635 8.112 141 2HG1 ILE 19 2HG1 ILE 19 -3.429 -5.411 6.572 142 1HG2 ILE 19 1HG2 ILE 19 -5.889 -3.434 8.472 143 2HG2 ILE 19 2HG2 ILE 19 -4.892 -2.164 7.739 144 3HG2 ILE 19 3HG2 ILE 19 -6.512 -2.448 7.135 145 1HD1 ILE 19 1HD1 ILE 19 -2.551 -3.247 5.646 146 2HD1 ILE 19 2HD1 ILE 19 -2.721 -2.532 7.256 147 3HD1 ILE 19 3HD1 ILE 19 -1.610 -3.889 6.999 148 H THR 20 H THR 20 -7.056 -4.244 4.113 149 HA THR 20 HA THR 20 -9.635 -3.410 5.327 150 HB THR 20 HB THR 20 -7.674 -1.897 4.346 151 HG1 THR 20 HG1 THR 20 -9.238 -0.801 5.113 152 1HG2 THR 20 1HG2 THR 20 -7.770 -2.888 2.037 153 2HG2 THR 20 2HG2 THR 20 -9.415 -2.239 1.883 154 3HG2 THR 20 3HG2 THR 20 -8.032 -1.148 2.090 155 H GLY 21 H GLY 21 -8.439 -5.743 3.051 156 1HA GLY 21 1HA GLY 21 -9.626 -7.229 1.796 157 2HA GLY 21 2HA GLY 21 -11.111 -6.343 2.085 158 H CYS 22 H CYS 22 -8.936 -4.004 0.976 159 HA CYS 22 HA CYS 22 -9.762 -4.405 -1.867 160 1HB CYS 22 1HB CYS 22 -9.807 -1.808 -0.304 161 2HB CYS 22 2HB CYS 22 -10.371 -2.067 -1.945 162 H PHE 23 H PHE 23 -8.318 -3.631 -3.438 163 HA PHE 23 HA PHE 23 -5.538 -3.434 -2.483 164 1HB PHE 23 2HB PHE 23 -5.948 -5.080 -4.150 165 2HB PHE 23 1HB PHE 23 -4.930 -3.839 -4.819 166 HD1 PHE 23 HD1 PHE 23 -8.290 -5.416 -4.941 167 HD2 PHE 23 HD2 PHE 23 -5.681 -2.475 -6.737 168 HE1 PHE 23 HE1 PHE 23 -9.863 -5.147 -6.823 169 HE2 PHE 23 HE2 PHE 23 -7.316 -2.159 -8.564 170 HZ PHE 23 HZ PHE 23 -9.405 -3.501 -8.624 171 H ASN 24 H ASN 24 -6.594 -1.144 -1.658 172 HA ASN 24 HA ASN 24 -5.697 0.891 -3.692 173 1HB ASN 24 1HB ASN 24 -7.886 1.238 -1.654 174 2HB ASN 24 2HB ASN 24 -7.177 2.520 -2.647 175 2HD2 ASN 24 1HD2 ASN 24 -9.923 1.136 -2.536 176 1HD2 ASN 24 2HD2 ASN 24 -10.299 0.858 -4.240 177 H SER 25 H SER 25 -3.624 0.711 -3.038 178 HA SER 25 HA SER 25 -2.915 1.750 -0.369 179 1HB SER 25 1HB SER 25 -2.705 -0.830 -0.813 180 2HB SER 25 2HB SER 25 -1.283 -0.380 -1.741 181 HG SER 25 HG SER 25 -0.847 -0.879 0.419 182 H ARG 26 H ARG 26 -2.242 3.760 -1.012 183 HA ARG 26 HA ARG 26 -0.807 4.136 -3.579 184 1HB ARG 26 1HB ARG 26 -2.364 5.907 -2.895 185 2HB ARG 26 2HB ARG 26 -1.461 6.116 -1.377 186 1HG ARG 26 1HG ARG 26 0.510 6.830 -2.518 187 2HG ARG 26 2HG ARG 26 -0.222 6.537 -4.098 188 1HD ARG 26 1HD ARG 26 -1.513 8.436 -2.100 189 2HD ARG 26 2HD ARG 26 -0.150 8.968 -3.083 190 HE ARG 26 HE ARG 26 -1.419 8.305 -5.100 191 1HH1 ARG 26 1HH1 ARG 26 -3.314 9.277 -2.215 192 2HH1 ARG 26 2HH1 ARG 26 -4.449 10.179 -3.167 193 1HH2 ARG 26 1HH2 ARG 26 -3.031 9.103 -6.253 194 2HH2 ARG 26 2HH2 ARG 26 -4.431 9.884 -5.546 195 H CYS 27 H CYS 27 1.306 3.738 -3.634 196 HA CYS 27 HA CYS 27 2.975 3.774 -1.172 197 1HB CYS 27 1HB CYS 27 3.229 2.595 -3.949 198 2HB CYS 27 2HB CYS 27 4.670 2.938 -2.983 199 H ILE 28 H ILE 28 3.421 5.960 -0.777 200 HA ILE 28 HA ILE 28 4.471 7.600 -3.018 201 HB ILE 28 HB ILE 28 2.207 8.304 -2.742 202 1HG1 ILE 28 2HG1 ILE 28 4.043 10.325 -1.408 203 2HG1 ILE 28 1HG1 ILE 28 2.442 10.667 -2.061 204 1HG2 ILE 28 1HG2 ILE 28 1.753 7.457 -0.430 205 2HG2 ILE 28 2HG2 ILE 28 2.723 8.799 0.215 206 3HG2 ILE 28 3HG2 ILE 28 1.224 9.123 -0.669 207 1HD1 ILE 28 1HD1 ILE 28 3.205 10.005 -4.324 208 2HD1 ILE 28 2HD1 ILE 28 4.115 11.368 -3.651 209 3HD1 ILE 28 3HD1 ILE 28 4.849 9.757 -3.683 210 H ASN 29 H ASN 29 6.350 8.653 -2.524 211 HA ASN 29 HA ASN 29 8.349 8.927 -1.468 212 1HB ASN 29 1HB ASN 29 6.856 10.532 -0.120 213 2HB ASN 29 2HB ASN 29 6.884 9.335 1.163 214 2HD2 ASN 29 1HD2 ASN 29 9.366 8.490 1.507 215 1HD2 ASN 29 2HD2 ASN 29 10.589 9.752 1.548 216 H LYS 30 H LYS 30 7.722 6.427 -2.010 217 HA LYS 30 HA LYS 30 7.766 4.197 -1.559 218 1HB LYS 30 1HB LYS 30 10.066 5.360 -0.017 219 2HB LYS 30 2HB LYS 30 9.559 3.764 0.482 220 1HG LYS 30 1HG LYS 30 9.581 3.243 -2.122 221 2HG LYS 30 2HG LYS 30 10.694 4.620 -2.161 222 1HD LYS 30 1HD LYS 30 12.215 3.473 -0.601 223 2HD LYS 30 2HD LYS 30 10.993 2.213 -0.295 224 1HE LYS 30 1HE LYS 30 11.019 1.793 -2.832 225 2HE LYS 30 2HE LYS 30 12.501 2.737 -2.874 226 1HZ LYS 30 1HZ LYS 30 12.110 0.220 -1.344 227 2HZ LYS 30 2HZ LYS 30 12.971 0.458 -2.737 228 3HZ LYS 30 3HZ LYS 30 13.508 1.153 -1.389 229 H SER 31 H SER 31 6.082 6.051 0.583 230 HA SER 31 HA SER 31 5.871 3.979 2.676 231 1HB SER 31 1HB SER 31 4.908 6.837 2.697 232 2HB SER 31 2HB SER 31 5.101 5.738 4.081 233 HG SER 31 HG SER 31 7.163 6.686 2.346 234 H CYS 32 H CYS 32 3.868 3.163 3.282 235 HA CYS 32 HA CYS 32 1.979 3.054 1.044 236 1HB CYS 32 2HB CYS 32 0.970 1.271 2.209 237 2HB CYS 32 1HB CYS 32 1.690 1.716 3.747 238 H LYS 33 H LYS 33 -0.062 3.872 1.033 239 HA LYS 33 HA LYS 33 -1.354 4.850 3.552 240 1HB LYS 33 1HB LYS 33 -1.213 6.141 0.790 241 2HB LYS 33 2HB LYS 33 -2.464 6.558 1.955 242 1HG LYS 33 1HG LYS 33 0.528 6.900 2.450 243 2HG LYS 33 2HG LYS 33 -0.555 8.159 1.845 244 1HD LYS 33 1HD LYS 33 -1.960 7.935 3.899 245 2HD LYS 33 2HD LYS 33 -0.785 6.754 4.536 246 1HE LYS 33 1HE LYS 33 0.999 8.476 4.309 247 2HE LYS 33 2HE LYS 33 -0.218 9.661 3.811 248 1HZ LYS 33 1HZ LYS 33 -0.210 8.236 6.405 249 2HZ LYS 33 2HZ LYS 33 0.316 9.781 6.185 250 3HZ LYS 33 3HZ LYS 33 -1.272 9.386 5.980 251 H CYS 34 H CYS 34 -3.093 3.423 3.869 252 HA CYS 34 HA CYS 34 -4.111 1.967 1.489 253 1HB CYS 34 1HB CYS 34 -3.296 0.733 3.498 254 2HB CYS 34 2HB CYS 34 -4.524 1.530 4.468 255 H TYR 35 H TYR 35 -6.296 2.226 0.868 256 HA TYR 35 HA TYR 35 -7.750 4.494 2.207 257 1HB TYR 35 1HB TYR 35 -7.571 3.699 -0.710 258 2HB TYR 35 2HB TYR 35 -8.647 4.916 -0.067 259 HD1 TYR 35 HD1 TYR 35 -4.997 4.128 -0.323 260 HD2 TYR 35 HD2 TYR 35 -8.044 7.168 0.075 261 HE1 TYR 35 HE1 TYR 35 -3.293 5.870 -0.467 262 HE2 TYR 35 HE2 TYR 35 -6.321 8.922 -0.146 263 HH TYR 35 HH TYR 35 -3.885 9.190 0.249 264 H GLY 36 H GLY 36 -8.179 1.117 1.521 265 1HA GLY 36 1HA GLY 36 -10.137 -0.142 1.939 266 2HA GLY 36 2HA GLY 36 -11.017 1.349 2.263 267 H CYS 37 H CYS 37 -12.588 -0.065 0.808 268 HA CYS 37 HA CYS 37 -12.051 0.135 -2.093 269 1HB CYS 37 1HB CYS 37 -14.377 -0.872 -0.443 270 2HB CYS 37 2HB CYS 37 -14.547 -0.506 -2.155 271 H THR 38 H THR 38 -11.962 2.251 -2.823 272 HA THR 38 HA THR 38 -14.187 4.018 -2.436 273 HB THR 38 HB THR 38 -12.801 4.105 -0.310 274 HG1 THR 38 HG1 THR 38 -12.556 6.599 -1.519 275 1HG2 THR 38 1HG2 THR 38 -10.660 5.265 -2.116 276 2HG2 THR 38 2HG2 THR 38 -10.715 5.416 -0.349 277 3HG2 THR 38 3HG2 THR 38 -10.558 3.817 -1.106 No H/Q in entry = 277 Start of MODEL 6 1 H1 ASP 1 H1 ASP 1 8.208 0.666 16.551 2 H2 ASP 1 H2 ASP 1 9.840 0.470 16.396 3 H3 ASP 1 H3 ASP 1 9.242 1.696 17.323 4 HA ASP 1 HA ASP 1 8.335 2.796 15.491 5 1HB ASP 1 1HB ASP 1 11.019 2.646 16.056 6 2HB ASP 1 2HB ASP 1 11.017 2.256 14.335 7 H GLU 2 H GLU 2 7.153 2.543 13.647 8 HA GLU 2 HA GLU 2 7.564 0.195 11.888 9 1HB GLU 2 1HB GLU 2 5.511 0.606 14.003 10 2HB GLU 2 2HB GLU 2 4.788 0.344 12.449 11 1HG GLU 2 1HG GLU 2 6.905 -1.509 13.601 12 2HG GLU 2 2HG GLU 2 5.170 -1.724 13.847 13 H ALA 3 H ALA 3 6.226 0.303 9.973 14 HA ALA 3 HA ALA 3 4.456 2.336 9.247 15 1HB ALA 3 2HB ALA 3 5.806 3.462 7.466 16 2HB ALA 3 1HB ALA 3 7.268 2.648 8.066 17 3HB ALA 3 3HB ALA 3 6.428 3.837 9.081 18 H ILE 4 H ILE 4 3.504 1.745 7.235 19 HA ILE 4 HA ILE 4 4.482 -0.790 6.003 20 HB ILE 4 HB ILE 4 1.849 0.627 5.471 21 1HG1 ILE 4 1HG1 ILE 4 2.416 -1.730 7.319 22 2HG1 ILE 4 2HG1 ILE 4 1.864 -0.127 7.812 23 1HG2 ILE 4 1HG2 ILE 4 2.880 -0.948 3.708 24 2HG2 ILE 4 2HG2 ILE 4 2.641 -2.251 4.874 25 3HG2 ILE 4 3HG2 ILE 4 1.252 -1.347 4.241 26 1HD1 ILE 4 1HD1 ILE 4 -0.242 -0.468 6.515 27 2HD1 ILE 4 2HD1 ILE 4 0.273 -2.141 6.178 28 3HD1 ILE 4 3HD1 ILE 4 -0.021 -1.620 7.838 29 H ARG 5 H ARG 5 5.999 -0.293 4.538 30 HA ARG 5 HA ARG 5 5.657 2.046 2.755 31 1HB ARG 5 1HB ARG 5 8.132 2.462 2.994 32 2HB ARG 5 2HB ARG 5 7.165 2.858 4.419 33 1HG ARG 5 1HG ARG 5 7.885 0.771 5.516 34 2HG ARG 5 2HG ARG 5 8.775 0.293 4.057 35 1HD ARG 5 1HD ARG 5 10.172 2.360 4.290 36 2HD ARG 5 2HD ARG 5 9.308 2.735 5.787 37 HE ARG 5 HE ARG 5 10.111 0.636 6.739 38 1HH1 ARG 5 1HH1 ARG 5 11.812 1.408 3.757 39 2HH1 ARG 5 2HH1 ARG 5 13.395 1.031 4.368 40 1HH2 ARG 5 1HH2 ARG 5 12.115 -0.144 7.480 41 2HH2 ARG 5 2HH2 ARG 5 13.562 0.086 6.567 42 H CYS 6 H CYS 6 6.955 1.811 0.730 43 HA CYS 6 HA CYS 6 7.318 -1.084 0.041 44 1HB CYS 6 1HB CYS 6 6.101 -0.358 -2.131 45 2HB CYS 6 2HB CYS 6 5.168 -0.764 -0.699 46 H THR 7 H THR 7 8.661 -1.589 -1.619 47 HA THR 7 HA THR 7 10.544 0.497 -2.430 48 HB THR 7 HB THR 7 11.187 -1.825 -1.730 49 HG1 THR 7 HG1 THR 7 12.488 -0.376 -3.001 50 1HG2 THR 7 1HG2 THR 7 9.484 -3.129 -3.010 51 2HG2 THR 7 2HG2 THR 7 10.271 -2.638 -4.521 52 3HG2 THR 7 3HG2 THR 7 11.139 -3.633 -3.351 53 H GLY 8 H GLY 8 7.716 -1.106 -3.869 54 1HA GLY 8 1HA GLY 8 7.772 0.764 -6.108 55 2HA GLY 8 2HA GLY 8 7.859 -0.963 -6.516 56 H THR 9 H THR 9 5.629 0.579 -7.291 57 HA THR 9 HA THR 9 3.563 0.953 -5.537 58 HB THR 9 HB THR 9 3.426 0.160 -8.456 59 HG1 THR 9 HG1 THR 9 4.518 2.093 -8.027 60 1HG2 THR 9 1HG2 THR 9 1.279 1.245 -6.565 61 2HG2 THR 9 2HG2 THR 9 1.189 1.362 -8.329 62 3HG2 THR 9 3HG2 THR 9 1.207 -0.222 -7.566 63 H LYS 10 H LYS 10 4.020 -2.144 -7.358 64 HA LYS 10 HA LYS 10 1.738 -3.263 -5.888 65 1HB LYS 10 1HB LYS 10 3.347 -4.479 -8.162 66 2HB LYS 10 2HB LYS 10 1.835 -5.084 -7.459 67 1HG LYS 10 1HG LYS 10 0.896 -2.699 -7.949 68 2HG LYS 10 2HG LYS 10 2.272 -2.521 -9.039 69 1HD LYS 10 1HD LYS 10 1.462 -4.392 -10.404 70 2HD LYS 10 2HD LYS 10 0.168 -4.716 -9.212 71 1HE LYS 10 1HE LYS 10 -0.661 -2.376 -9.531 72 2HE LYS 10 2HE LYS 10 0.540 -2.133 -10.806 73 1HZ LYS 10 1HZ LYS 10 -1.593 -4.187 -10.921 74 2HZ LYS 10 2HZ LYS 10 -1.708 -2.690 -11.566 75 3HZ LYS 10 3HZ LYS 10 -0.566 -3.752 -12.130 76 H ASP 11 H ASP 11 4.541 -2.722 -4.656 77 HA ASP 11 HA ASP 11 5.408 -5.325 -3.698 78 1HB ASP 11 1HB ASP 11 6.885 -3.360 -3.798 79 2HB ASP 11 2HB ASP 11 5.828 -2.506 -2.666 80 H CYS 12 H CYS 12 3.974 -2.598 -1.779 81 HA CYS 12 HA CYS 12 2.918 -4.491 0.115 82 1HB CYS 12 2HB CYS 12 3.778 -2.406 0.883 83 2HB CYS 12 1HB CYS 12 2.088 -2.550 1.317 84 H TYR 13 H TYR 13 1.689 -4.156 -2.815 85 HA TYR 13 HA TYR 13 -1.044 -3.475 -2.639 86 1HB TYR 13 1HB TYR 13 0.662 -5.118 -4.431 87 2HB TYR 13 2HB TYR 13 -0.969 -5.712 -4.300 88 HD1 TYR 13 HD1 TYR 13 0.049 -2.078 -4.249 89 HD2 TYR 13 HD2 TYR 13 -1.799 -5.301 -6.451 90 HE1 TYR 13 HE1 TYR 13 -0.733 -0.476 -5.933 91 HE2 TYR 13 HE2 TYR 13 -2.608 -3.706 -8.130 92 HH TYR 13 HH TYR 13 -2.058 -0.183 -7.831 93 H ILE 14 H ILE 14 0.472 -6.686 -2.079 94 HA ILE 14 HA ILE 14 -1.941 -7.961 -1.342 95 HB ILE 14 HB ILE 14 0.876 -8.811 -0.598 96 1HG1 ILE 14 1HG1 ILE 14 0.730 -8.511 -3.020 97 2HG1 ILE 14 2HG1 ILE 14 0.931 -10.191 -2.552 98 1HG2 ILE 14 1HG2 ILE 14 -1.757 -10.323 -0.663 99 2HG2 ILE 14 2HG2 ILE 14 -0.168 -11.097 -0.567 100 3HG2 ILE 14 3HG2 ILE 14 -0.697 -10.031 0.731 101 1HD1 ILE 14 1HD1 ILE 14 -1.692 -8.921 -3.397 102 2HD1 ILE 14 2HD1 ILE 14 -0.646 -9.924 -4.418 103 3HD1 ILE 14 3HD1 ILE 14 -1.440 -10.630 -3.003 104 HA PRO 15 HA PRO 15 -0.882 -7.532 3.266 105 1HB PRO 15 1HB PRO 15 0.826 -5.546 4.161 106 2HB PRO 15 2HB PRO 15 1.263 -7.259 3.870 107 1HG PRO 15 2HG PRO 15 2.797 -6.181 2.405 108 2HG PRO 15 1HG PRO 15 1.610 -4.897 2.014 109 1HD PRO 15 1HD PRO 15 1.387 -6.342 0.136 110 2HD PRO 15 2HD PRO 15 1.645 -7.793 1.143 111 H CYS 16 H CYS 16 -0.758 -4.416 1.395 112 HA CYS 16 HA CYS 16 -2.359 -3.015 3.276 113 1HB CYS 16 1HB CYS 16 -1.073 -1.931 1.377 114 2HB CYS 16 2HB CYS 16 -2.385 -2.453 0.296 115 H ARG 17 H ARG 17 -3.274 -4.897 0.308 116 HA ARG 17 HA ARG 17 -6.093 -4.520 0.637 117 1HB ARG 17 1HB ARG 17 -4.879 -5.387 -1.429 118 2HB ARG 17 2HB ARG 17 -4.686 -6.933 -0.587 119 1HG ARG 17 1HG ARG 17 -7.249 -6.915 -0.313 120 2HG ARG 17 2HG ARG 17 -7.270 -5.535 -1.411 121 1HD ARG 17 1HD ARG 17 -6.100 -8.288 -2.034 122 2HD ARG 17 2HD ARG 17 -7.716 -7.766 -2.481 123 HE ARG 17 HE ARG 17 -6.861 -6.204 -4.013 124 1HH1 ARG 17 1HH1 ARG 17 -4.325 -8.459 -2.839 125 2HH1 ARG 17 2HH1 ARG 17 -3.212 -7.927 -4.070 126 1HH2 ARG 17 1HH2 ARG 17 -5.353 -5.765 -5.701 127 2HH2 ARG 17 2HH2 ARG 17 -3.770 -6.532 -5.649 128 H TYR 18 H TYR 18 -3.800 -6.932 1.992 129 HA TYR 18 HA TYR 18 -5.718 -8.576 3.256 130 1HB TYR 18 1HB TYR 18 -2.854 -8.239 3.317 131 2HB TYR 18 2HB TYR 18 -3.407 -8.301 4.971 132 HD1 TYR 18 HD1 TYR 18 -4.854 -10.266 5.722 133 HD2 TYR 18 HD2 TYR 18 -2.711 -10.196 1.976 134 HE1 TYR 18 HE1 TYR 18 -5.056 -12.718 5.564 135 HE2 TYR 18 HE2 TYR 18 -2.903 -12.660 1.813 136 HH TYR 18 HH TYR 18 -5.103 -14.422 3.822 137 H ILE 19 H ILE 19 -3.935 -5.752 4.643 138 HA ILE 19 HA ILE 19 -5.402 -5.914 7.101 139 HB ILE 19 HB ILE 19 -3.674 -3.734 5.889 140 1HG1 ILE 19 1HG1 ILE 19 -2.972 -5.613 8.185 141 2HG1 ILE 19 2HG1 ILE 19 -2.692 -6.085 6.519 142 1HG2 ILE 19 1HG2 ILE 19 -4.750 -3.960 8.739 143 2HG2 ILE 19 2HG2 ILE 19 -3.512 -2.791 8.207 144 3HG2 ILE 19 3HG2 ILE 19 -5.143 -2.694 7.575 145 1HD1 ILE 19 1HD1 ILE 19 -1.258 -4.120 6.142 146 2HD1 ILE 19 2HD1 ILE 19 -1.467 -3.644 7.840 147 3HD1 ILE 19 3HD1 ILE 19 -0.659 -5.166 7.440 148 H THR 20 H THR 20 -5.701 -3.594 4.343 149 HA THR 20 HA THR 20 -7.939 -2.290 5.667 150 HB THR 20 HB THR 20 -5.838 -1.451 4.169 151 HG1 THR 20 HG1 THR 20 -8.312 -0.133 4.527 152 1HG2 THR 20 1HG2 THR 20 -6.805 -2.303 2.025 153 2HG2 THR 20 2HG2 THR 20 -8.128 -1.133 2.218 154 3HG2 THR 20 3HG2 THR 20 -6.458 -0.571 2.055 155 H GLY 21 H GLY 21 -7.730 -5.019 3.634 156 1HA GLY 21 1HA GLY 21 -9.323 -6.323 2.720 157 2HA GLY 21 2HA GLY 21 -10.570 -5.158 3.154 158 H CYS 22 H CYS 22 -9.851 -2.943 1.932 159 HA CYS 22 HA CYS 22 -10.763 -3.288 -0.738 160 1HB CYS 22 2HB CYS 22 -10.872 -0.829 -0.633 161 2HB CYS 22 1HB CYS 22 -9.828 -0.819 0.778 162 H PHE 23 H PHE 23 -9.873 -2.271 -2.632 163 HA PHE 23 HA PHE 23 -6.995 -2.721 -2.900 164 1HB PHE 23 2HB PHE 23 -8.842 -3.698 -4.387 165 2HB PHE 23 1HB PHE 23 -7.345 -3.132 -5.079 166 HD1 PHE 23 HD1 PHE 23 -10.330 -0.955 -4.213 167 HD2 PHE 23 HD2 PHE 23 -7.919 -2.756 -7.313 168 HE1 PHE 23 HE1 PHE 23 -11.494 0.398 -5.916 169 HE2 PHE 23 HE2 PHE 23 -9.090 -1.395 -8.999 170 HZ PHE 23 HZ PHE 23 -10.884 0.198 -8.311 171 H ASN 24 H ASN 24 -6.855 -1.049 -5.304 172 HA ASN 24 HA ASN 24 -5.824 0.852 -5.932 173 1HB ASN 24 1HB ASN 24 -8.164 1.604 -5.915 174 2HB ASN 24 2HB ASN 24 -7.970 2.155 -4.250 175 2HD2 ASN 24 1HD2 ASN 24 -8.715 4.207 -5.335 176 1HD2 ASN 24 2HD2 ASN 24 -7.552 5.275 -6.070 177 H SER 25 H SER 25 -4.134 -0.149 -4.526 178 HA SER 25 HA SER 25 -3.279 1.489 -2.242 179 1HB SER 25 1HB SER 25 -1.928 -0.840 -3.636 180 2HB SER 25 2HB SER 25 -1.503 -0.160 -2.058 181 HG SER 25 HG SER 25 -3.569 -0.846 -1.319 182 H ARG 26 H ARG 26 -1.551 2.912 -2.372 183 HA ARG 26 HA ARG 26 -0.126 3.271 -4.938 184 1HB ARG 26 1HB ARG 26 -1.903 4.893 -4.972 185 2HB ARG 26 2HB ARG 26 -1.663 5.314 -3.272 186 1HG ARG 26 1HG ARG 26 0.527 6.307 -3.801 187 2HG ARG 26 2HG ARG 26 0.319 5.908 -5.514 188 1HD ARG 26 1HD ARG 26 -1.659 7.606 -3.937 189 2HD ARG 26 2HD ARG 26 -0.248 8.313 -4.706 190 HE ARG 26 HE ARG 26 -2.646 7.196 -5.993 191 1HH1 ARG 26 1HH1 ARG 26 0.713 8.297 -6.569 192 2HH1 ARG 26 2HH1 ARG 26 0.407 8.760 -8.215 193 1HH2 ARG 26 1HH2 ARG 26 -3.050 7.994 -8.156 194 2HH2 ARG 26 2HH2 ARG 26 -1.814 8.832 -9.001 195 H CYS 27 H CYS 27 1.929 3.815 -4.645 196 HA CYS 27 HA CYS 27 3.100 3.842 -1.913 197 1HB CYS 27 1HB CYS 27 4.199 3.235 -4.678 198 2HB CYS 27 2HB CYS 27 5.245 3.575 -3.290 199 H ILE 28 H ILE 28 3.249 5.858 -1.154 200 HA ILE 28 HA ILE 28 3.998 8.093 -2.931 201 HB ILE 28 HB ILE 28 1.638 8.251 -2.910 202 1HG1 ILE 28 1HG1 ILE 28 1.135 10.302 -1.659 203 2HG1 ILE 28 2HG1 ILE 28 2.648 10.157 -0.766 204 1HG2 ILE 28 1HG2 ILE 28 1.025 6.720 -1.105 205 2HG2 ILE 28 2HG2 ILE 28 1.592 7.894 0.099 206 3HG2 ILE 28 3HG2 ILE 28 0.207 8.274 -0.943 207 1HD1 ILE 28 1HD1 ILE 28 2.403 10.465 -3.798 208 2HD1 ILE 28 2HD1 ILE 28 2.742 11.782 -2.656 209 3HD1 ILE 28 3HD1 ILE 28 3.914 10.470 -2.855 210 H ASN 29 H ASN 29 5.609 9.182 -2.069 211 HA ASN 29 HA ASN 29 7.435 9.485 -0.793 212 1HB ASN 29 1HB ASN 29 5.970 11.198 0.188 213 2HB ASN 29 2HB ASN 29 5.405 10.035 1.399 214 2HD2 ASN 29 1HD2 ASN 29 6.532 10.349 3.369 215 1HD2 ASN 29 2HD2 ASN 29 8.215 10.841 3.460 216 H LYS 30 H LYS 30 7.529 7.027 -1.197 217 HA LYS 30 HA LYS 30 8.030 4.930 -0.583 218 1HB LYS 30 1HB LYS 30 9.238 6.697 1.406 219 2HB LYS 30 2HB LYS 30 8.876 5.148 2.130 220 1HG LYS 30 1HG LYS 30 10.325 5.341 -0.526 221 2HG LYS 30 2HG LYS 30 11.166 5.585 1.008 222 1HD LYS 30 1HD LYS 30 10.546 3.371 1.801 223 2HD LYS 30 2HD LYS 30 9.540 3.100 0.381 224 1HE LYS 30 2HE LYS 30 11.532 3.227 -1.087 225 2HE LYS 30 1HE LYS 30 11.649 1.927 0.107 226 1HZ LYS 30 1HZ LYS 30 13.077 3.376 1.444 227 2HZ LYS 30 2HZ LYS 30 13.707 3.090 -0.027 228 3HZ LYS 30 3HZ LYS 30 13.019 4.556 0.312 229 H SER 31 H SER 31 5.399 6.390 1.096 230 HA SER 31 HA SER 31 4.966 4.027 2.807 231 1HB SER 31 1HB SER 31 3.408 6.602 2.732 232 2HB SER 31 2HB SER 31 3.544 5.447 4.056 233 HG SER 31 HG SER 31 5.792 6.901 3.042 234 H CYS 32 H CYS 32 2.914 3.015 2.855 235 HA CYS 32 HA CYS 32 1.608 2.830 0.232 236 1HB CYS 32 2HB CYS 32 0.570 0.832 1.236 237 2HB CYS 32 1HB CYS 32 1.284 1.240 2.800 238 H LYS 33 H LYS 33 -0.149 4.086 -0.206 239 HA LYS 33 HA LYS 33 -2.087 4.597 2.000 240 1HB LYS 33 1HB LYS 33 -1.334 6.484 -0.273 241 2HB LYS 33 2HB LYS 33 -2.760 6.693 0.726 242 1HG LYS 33 1HG LYS 33 0.044 6.675 1.930 243 2HG LYS 33 2HG LYS 33 -0.699 8.114 1.248 244 1HD LYS 33 1HD LYS 33 -1.008 8.233 3.577 245 2HD LYS 33 2HD LYS 33 -2.588 7.942 2.840 246 1HE LYS 33 1HE LYS 33 -2.481 5.578 3.477 247 2HE LYS 33 2HE LYS 33 -0.830 5.775 4.092 248 1HZ LYS 33 1HZ LYS 33 -3.292 7.018 5.162 249 2HZ LYS 33 2HZ LYS 33 -2.495 5.765 5.810 250 3HZ LYS 33 3HZ LYS 33 -1.754 7.238 5.784 251 H CYS 34 H CYS 34 -4.042 3.728 1.549 252 HA CYS 34 HA CYS 34 -4.453 2.809 -1.228 253 1HB CYS 34 1HB CYS 34 -5.099 1.127 1.184 254 2HB CYS 34 2HB CYS 34 -5.082 0.613 -0.490 255 H TYR 35 H TYR 35 -6.682 2.464 -1.780 256 HA TYR 35 HA TYR 35 -8.547 3.974 0.022 257 1HB TYR 35 1HB TYR 35 -8.212 4.338 -2.970 258 2HB TYR 35 2HB TYR 35 -9.401 5.135 -1.943 259 HD1 TYR 35 HD1 TYR 35 -5.795 4.913 -2.829 260 HD2 TYR 35 HD2 TYR 35 -8.772 7.005 -0.503 261 HE1 TYR 35 HE1 TYR 35 -4.140 6.671 -2.305 262 HE2 TYR 35 HE2 TYR 35 -7.136 8.792 -0.022 263 HH TYR 35 HH TYR 35 -4.921 9.463 -0.164 264 H GLY 36 H GLY 36 -9.757 3.097 -3.075 265 1HA GLY 36 1HA GLY 36 -11.232 1.518 -3.782 266 2HA GLY 36 2HA GLY 36 -10.826 0.486 -2.385 267 H CYS 37 H CYS 37 -11.840 0.865 -0.417 268 HA CYS 37 HA CYS 37 -14.422 2.248 -0.420 269 1HB CYS 37 2HB CYS 37 -14.251 0.036 0.582 270 2HB CYS 37 1HB CYS 37 -14.587 1.223 1.829 271 H THR 38 H THR 38 -14.749 3.331 1.901 272 HA THR 38 HA THR 38 -12.500 5.018 2.723 273 HB THR 38 HB THR 38 -15.318 6.015 2.069 274 HG1 THR 38 HG1 THR 38 -13.983 5.796 0.258 275 1HG2 THR 38 1HG2 THR 38 -12.922 7.441 3.305 276 2HG2 THR 38 2HG2 THR 38 -14.364 8.259 2.660 277 3HG2 THR 38 3HG2 THR 38 -14.510 7.172 4.051 No H/Q in entry = 277 Start of MODEL 7 1 H1 ASP 1 H1 ASP 1 10.035 -1.383 12.847 2 H2 ASP 1 H2 ASP 1 9.164 -2.761 12.614 3 H3 ASP 1 H3 ASP 1 10.635 -2.582 11.908 4 HA ASP 1 HA ASP 1 9.941 -0.995 10.420 5 1HB ASP 1 1HB ASP 1 7.882 -3.194 10.654 6 2HB ASP 1 2HB ASP 1 7.999 -2.072 9.290 7 H GLU 2 H GLU 2 9.662 0.846 11.814 8 HA GLU 2 HA GLU 2 7.460 1.462 13.376 9 1HB GLU 2 2HB GLU 2 9.682 2.585 13.361 10 2HB GLU 2 1HB GLU 2 8.333 3.728 13.358 11 1HG GLU 2 1HG GLU 2 9.820 2.895 10.821 12 2HG GLU 2 2HG GLU 2 8.619 4.178 10.978 13 H ALA 3 H ALA 3 7.719 1.791 9.885 14 HA ALA 3 HA ALA 3 4.924 2.592 9.616 15 1HB ALA 3 1HB ALA 3 7.275 4.253 8.578 16 2HB ALA 3 3HB ALA 3 6.032 4.774 9.734 17 3HB ALA 3 2HB ALA 3 5.594 4.451 8.048 18 H ILE 4 H ILE 4 4.125 1.971 7.608 19 HA ILE 4 HA ILE 4 5.608 -0.211 6.402 20 HB ILE 4 HB ILE 4 3.387 -0.652 7.010 21 1HG1 ILE 4 1HG1 ILE 4 2.355 -1.408 4.910 22 2HG1 ILE 4 2HG1 ILE 4 3.496 -0.435 3.979 23 1HG2 ILE 4 1HG2 ILE 4 2.399 1.675 5.323 24 2HG2 ILE 4 2HG2 ILE 4 1.393 0.429 6.079 25 3HG2 ILE 4 3HG2 ILE 4 2.332 1.522 7.089 26 1HD1 ILE 4 1HD1 ILE 4 4.304 -2.663 5.891 27 2HD1 ILE 4 2HD1 ILE 4 4.096 -2.852 4.140 28 3HD1 ILE 4 3HD1 ILE 4 5.370 -1.790 4.762 29 H ARG 5 H ARG 5 7.249 0.528 5.203 30 HA ARG 5 HA ARG 5 6.687 2.540 3.101 31 1HB ARG 5 1HB ARG 5 9.087 2.657 2.728 32 2HB ARG 5 2HB ARG 5 8.709 2.904 4.422 33 1HG ARG 5 1HG ARG 5 10.576 1.551 4.481 34 2HG ARG 5 2HG ARG 5 9.273 0.428 4.777 35 1HD ARG 5 1HD ARG 5 9.492 -0.111 2.178 36 2HD ARG 5 2HD ARG 5 10.977 0.817 2.278 37 HE ARG 5 HE ARG 5 11.974 -0.955 3.272 38 1HH1 ARG 5 1HH1 ARG 5 8.433 -1.546 3.441 39 2HH1 ARG 5 2HH1 ARG 5 8.583 -2.924 4.452 40 1HH2 ARG 5 1HH2 ARG 5 12.138 -2.907 4.567 41 2HH2 ARG 5 2HH2 ARG 5 10.693 -3.626 5.174 42 H CYS 6 H CYS 6 7.464 2.009 0.869 43 HA CYS 6 HA CYS 6 7.251 -0.907 0.219 44 1HB CYS 6 1HB CYS 6 6.268 -0.122 -1.944 45 2HB CYS 6 2HB CYS 6 5.259 0.157 -0.552 46 H THR 7 H THR 7 8.175 -1.404 -1.988 47 HA THR 7 HA THR 7 10.611 0.183 -2.553 48 HB THR 7 HB THR 7 10.010 -2.681 -3.363 49 HG1 THR 7 HG1 THR 7 11.536 -3.154 -1.694 50 1HG2 THR 7 1HG2 THR 7 11.664 -1.427 -4.756 51 2HG2 THR 7 2HG2 THR 7 12.606 -1.079 -3.290 52 3HG2 THR 7 3HG2 THR 7 12.396 -2.753 -3.858 53 H GLY 8 H GLY 8 7.727 -1.510 -3.954 54 1HA GLY 8 1HA GLY 8 7.436 0.672 -5.925 55 2HA GLY 8 2HA GLY 8 7.469 -1.007 -6.502 56 H THR 9 H THR 9 5.210 0.433 -6.946 57 HA THR 9 HA THR 9 3.262 0.755 -5.026 58 HB THR 9 HB THR 9 3.078 0.115 -7.994 59 HG1 THR 9 HG1 THR 9 3.610 2.128 -8.199 60 1HG2 THR 9 1HG2 THR 9 0.941 1.283 -6.155 61 2HG2 THR 9 2HG2 THR 9 0.930 1.424 -7.933 62 3HG2 THR 9 3HG2 THR 9 0.838 -0.163 -7.184 63 H LYS 10 H LYS 10 4.046 -2.291 -6.651 64 HA LYS 10 HA LYS 10 1.719 -3.757 -5.868 65 1HB LYS 10 1HB LYS 10 3.178 -5.768 -6.130 66 2HB LYS 10 2HB LYS 10 3.061 -4.737 -7.540 67 1HG LYS 10 1HG LYS 10 5.399 -4.128 -5.763 68 2HG LYS 10 2HG LYS 10 5.386 -5.743 -6.457 69 1HD LYS 10 1HD LYS 10 5.149 -4.805 -8.723 70 2HD LYS 10 2HD LYS 10 5.203 -3.154 -8.070 71 1HE LYS 10 1HE LYS 10 7.472 -3.482 -7.266 72 2HE LYS 10 2HE LYS 10 7.373 -5.217 -7.551 73 1HZ LYS 10 1HZ LYS 10 7.299 -4.804 -9.917 74 2HZ LYS 10 2HZ LYS 10 7.476 -3.160 -9.689 75 3HZ LYS 10 3HZ LYS 10 8.640 -4.186 -9.241 76 H ASP 11 H ASP 11 4.642 -2.872 -4.006 77 HA ASP 11 HA ASP 11 4.302 -4.872 -1.976 78 1HB ASP 11 1HB ASP 11 5.706 -2.180 -1.852 79 2HB ASP 11 2HB ASP 11 5.827 -3.441 -0.640 80 H CYS 12 H CYS 12 2.615 -1.883 -2.623 81 HA CYS 12 HA CYS 12 1.569 -1.762 0.162 82 1HB CYS 12 1HB CYS 12 0.891 -0.032 -2.245 83 2HB CYS 12 2HB CYS 12 0.356 0.205 -0.577 84 H TYR 13 H TYR 13 0.506 -2.395 -3.217 85 HA TYR 13 HA TYR 13 -2.228 -2.743 -2.560 86 1HB TYR 13 1HB TYR 13 -0.506 -3.547 -4.883 87 2HB TYR 13 2HB TYR 13 -2.054 -4.343 -4.702 88 HD1 TYR 13 HD1 TYR 13 -4.131 -2.742 -4.150 89 HD2 TYR 13 HD2 TYR 13 -0.518 -1.543 -6.155 90 HE1 TYR 13 HE1 TYR 13 -5.383 -0.955 -5.286 91 HE2 TYR 13 HE2 TYR 13 -1.761 0.288 -7.295 92 HH TYR 13 HH TYR 13 -5.311 0.749 -6.927 93 H ILE 14 H ILE 14 0.438 -5.153 -2.442 94 HA ILE 14 HA ILE 14 -1.250 -7.382 -1.961 95 HB ILE 14 HB ILE 14 1.671 -6.854 -1.355 96 1HG1 ILE 14 1HG1 ILE 14 0.373 -8.697 -3.393 97 2HG1 ILE 14 2HG1 ILE 14 0.792 -7.029 -3.755 98 1HG2 ILE 14 1HG2 ILE 14 0.163 -9.492 -1.040 99 2HG2 ILE 14 2HG2 ILE 14 1.921 -9.290 -0.942 100 3HG2 ILE 14 3HG2 ILE 14 0.899 -8.562 0.279 101 1HD1 ILE 14 1HD1 ILE 14 3.178 -7.498 -3.196 102 2HD1 ILE 14 2HD1 ILE 14 2.760 -9.221 -3.012 103 3HD1 ILE 14 3HD1 ILE 14 2.556 -8.422 -4.576 104 HA PRO 15 HA PRO 15 -0.831 -7.030 2.720 105 1HB PRO 15 1HB PRO 15 0.182 -4.782 3.965 106 2HB PRO 15 2HB PRO 15 1.161 -6.209 3.508 107 1HG PRO 15 2HG PRO 15 2.310 -4.489 2.334 108 2HG PRO 15 1HG PRO 15 0.785 -3.629 1.956 109 1HD PRO 15 1HD PRO 15 1.098 -4.819 -0.067 110 2HD PRO 15 2HD PRO 15 1.831 -6.216 0.782 111 H CYS 16 H CYS 16 -1.487 -3.872 1.044 112 HA CYS 16 HA CYS 16 -3.577 -3.154 2.877 113 1HB CYS 16 1HB CYS 16 -2.410 -1.623 1.354 114 2HB CYS 16 2HB CYS 16 -3.196 -2.394 -0.023 115 H ARG 17 H ARG 17 -3.675 -4.951 -0.317 116 HA ARG 17 HA ARG 17 -6.494 -5.443 -0.160 117 1HB ARG 17 1HB ARG 17 -5.136 -5.677 -2.184 118 2HB ARG 17 2HB ARG 17 -4.278 -7.063 -1.500 119 1HG ARG 17 1HG ARG 17 -7.294 -7.098 -1.834 120 2HG ARG 17 2HG ARG 17 -6.232 -7.344 -3.212 121 1HD ARG 17 1HD ARG 17 -5.117 -9.245 -1.998 122 2HD ARG 17 2HD ARG 17 -6.343 -9.094 -0.727 123 HE ARG 17 HE ARG 17 -7.142 -9.406 -3.564 124 1HH1 ARG 17 1HH1 ARG 17 -7.020 -11.002 -0.303 125 2HH1 ARG 17 2HH1 ARG 17 -8.293 -12.060 -0.670 126 1HH2 ARG 17 1HH2 ARG 17 -8.845 -10.867 -3.975 127 2HH2 ARG 17 2HH2 ARG 17 -9.224 -12.120 -2.858 128 H TYR 18 H TYR 18 -3.670 -7.117 1.315 129 HA TYR 18 HA TYR 18 -5.268 -9.298 2.274 130 1HB TYR 18 1HB TYR 18 -2.650 -8.972 2.033 131 2HB TYR 18 2HB TYR 18 -2.758 -8.392 3.685 132 HD1 TYR 18 HD1 TYR 18 -3.763 -11.227 1.431 133 HD2 TYR 18 HD2 TYR 18 -2.727 -10.043 5.457 134 HE1 TYR 18 HE1 TYR 18 -3.676 -13.599 2.105 135 HE2 TYR 18 HE2 TYR 18 -2.649 -12.412 6.133 136 HH TYR 18 HH TYR 18 -2.885 -14.621 5.453 137 H ILE 19 H ILE 19 -4.382 -6.180 3.754 138 HA ILE 19 HA ILE 19 -5.710 -6.803 6.293 139 HB ILE 19 HB ILE 19 -4.016 -4.440 5.421 140 1HG1 ILE 19 1HG1 ILE 19 -3.264 -6.721 7.312 141 2HG1 ILE 19 2HG1 ILE 19 -2.884 -6.779 5.613 142 1HG2 ILE 19 1HG2 ILE 19 -5.575 -3.821 7.252 143 2HG2 ILE 19 2HG2 ILE 19 -5.034 -5.220 8.194 144 3HG2 ILE 19 3HG2 ILE 19 -3.925 -3.877 7.830 145 1HD1 ILE 19 1HD1 ILE 19 -1.602 -4.632 5.838 146 2HD1 ILE 19 2HD1 ILE 19 -1.807 -4.781 7.601 147 3HD1 ILE 19 3HD1 ILE 19 -0.941 -6.031 6.699 148 H THR 20 H THR 20 -5.758 -3.817 4.297 149 HA THR 20 HA THR 20 -8.215 -2.801 5.192 150 HB THR 20 HB THR 20 -6.623 -2.398 2.625 151 HG1 THR 20 HG1 THR 20 -6.618 -0.909 5.025 152 1HG2 THR 20 1HG2 THR 20 -8.751 -0.590 3.787 153 2HG2 THR 20 2HG2 THR 20 -7.541 -0.091 2.580 154 3HG2 THR 20 3HG2 THR 20 -8.711 -1.351 2.194 155 H GLY 21 H GLY 21 -7.518 -5.220 2.707 156 1HA GLY 21 1HA GLY 21 -9.066 -6.714 1.793 157 2HA GLY 21 2HA GLY 21 -10.398 -5.762 2.445 158 H CYS 22 H CYS 22 -10.390 -3.428 1.545 159 HA CYS 22 HA CYS 22 -11.154 -3.593 -1.158 160 1HB CYS 22 2HB CYS 22 -11.759 -1.288 -0.945 161 2HB CYS 22 1HB CYS 22 -10.705 -1.078 0.456 162 H PHE 23 H PHE 23 -10.153 -3.139 -3.005 163 HA PHE 23 HA PHE 23 -7.278 -2.826 -3.024 164 1HB PHE 23 1HB PHE 23 -8.574 -4.391 -4.438 165 2HB PHE 23 2HB PHE 23 -9.333 -3.047 -5.264 166 HD1 PHE 23 HD1 PHE 23 -6.181 -4.940 -4.783 167 HD2 PHE 23 HD2 PHE 23 -8.179 -1.885 -7.077 168 HE1 PHE 23 HE1 PHE 23 -4.327 -4.956 -6.470 169 HE2 PHE 23 HE2 PHE 23 -6.327 -1.893 -8.704 170 HZ PHE 23 HZ PHE 23 -4.411 -3.440 -8.418 171 H ASN 24 H ASN 24 -7.445 -0.509 -1.956 172 HA ASN 24 HA ASN 24 -7.026 1.337 -4.236 173 1HB ASN 24 1HB ASN 24 -9.395 1.700 -3.395 174 2HB ASN 24 2HB ASN 24 -8.683 2.363 -1.921 175 2HD2 ASN 24 1HD2 ASN 24 -10.257 4.087 -3.422 176 1HD2 ASN 24 2HD2 ASN 24 -9.260 5.171 -4.372 177 H SER 25 H SER 25 -4.896 0.763 -3.756 178 HA SER 25 HA SER 25 -3.682 1.894 -1.306 179 1HB SER 25 2HB SER 25 -2.286 -0.010 -1.279 180 2HB SER 25 1HB SER 25 -2.495 -0.298 -3.007 181 HG SER 25 HG SER 25 -4.434 -0.758 -0.990 182 H ARG 26 H ARG 26 -1.536 2.860 -1.518 183 HA ARG 26 HA ARG 26 -0.428 3.223 -4.210 184 1HB ARG 26 1HB ARG 26 -2.439 4.914 -3.484 185 2HB ARG 26 2HB ARG 26 -1.122 5.730 -2.652 186 1HG ARG 26 1HG ARG 26 0.074 5.994 -4.789 187 2HG ARG 26 2HG ARG 26 -1.146 4.997 -5.615 188 1HD ARG 26 1HD ARG 26 -2.908 6.588 -5.074 189 2HD ARG 26 2HD ARG 26 -1.774 7.593 -4.178 190 HE ARG 26 HE ARG 26 -0.547 7.966 -6.289 191 1HH1 ARG 26 1HH1 ARG 26 -3.996 7.035 -6.557 192 2HH1 ARG 26 2HH1 ARG 26 -4.281 8.071 -7.918 193 1HH2 ARG 26 1HH2 ARG 26 -0.911 9.028 -8.284 194 2HH2 ARG 26 2HH2 ARG 26 -2.511 9.213 -8.919 195 H CYS 27 H CYS 27 1.695 4.057 -4.153 196 HA CYS 27 HA CYS 27 3.128 4.085 -1.533 197 1HB CYS 27 1HB CYS 27 3.998 3.969 -4.456 198 2HB CYS 27 2HB CYS 27 5.098 4.456 -3.197 199 H ILE 28 H ILE 28 3.600 6.162 -0.752 200 HA ILE 28 HA ILE 28 4.027 8.276 -2.714 201 HB ILE 28 HB ILE 28 1.720 8.626 -2.268 202 1HG1 ILE 28 1HG1 ILE 28 1.749 10.890 -1.354 203 2HG1 ILE 28 2HG1 ILE 28 3.360 10.635 -0.688 204 1HG2 ILE 28 1HG2 ILE 28 1.428 7.410 -0.149 205 2HG2 ILE 28 2HG2 ILE 28 2.300 8.693 0.713 206 3HG2 ILE 28 3HG2 ILE 28 0.747 9.037 -0.073 207 1HD1 ILE 28 1HD1 ILE 28 2.656 10.535 -3.651 208 2HD1 ILE 28 2HD1 ILE 28 3.283 11.959 -2.795 209 3HD1 ILE 28 3HD1 ILE 28 4.295 10.518 -2.955 210 H ASN 29 H ASN 29 5.897 9.219 -2.290 211 HA ASN 29 HA ASN 29 7.955 9.434 -1.369 212 1HB ASN 29 1HB ASN 29 6.164 10.595 0.785 213 2HB ASN 29 2HB ASN 29 7.919 10.583 0.937 214 2HD2 ASN 29 1HD2 ASN 29 5.399 12.543 -0.201 215 1HD2 ASN 29 2HD2 ASN 29 6.386 13.483 -1.312 216 H LYS 30 H LYS 30 7.633 7.026 -1.533 217 HA LYS 30 HA LYS 30 8.083 4.952 -0.956 218 1HB LYS 30 1HB LYS 30 10.131 6.321 0.037 219 2HB LYS 30 2HB LYS 30 9.496 5.742 1.583 220 1HG LYS 30 1HG LYS 30 9.609 3.391 0.669 221 2HG LYS 30 2HG LYS 30 10.241 4.047 -0.838 222 1HD LYS 30 1HD LYS 30 12.191 4.994 0.527 223 2HD LYS 30 2HD LYS 30 11.538 4.125 1.924 224 1HE LYS 30 2HE LYS 30 11.777 1.972 0.708 225 2HE LYS 30 1HE LYS 30 13.320 2.825 0.888 226 1HZ LYS 30 1HZ LYS 30 12.883 3.697 -1.408 227 2HZ LYS 30 2HZ LYS 30 13.217 2.084 -1.331 228 3HZ LYS 30 3HZ LYS 30 11.676 2.616 -1.558 229 H SER 31 H SER 31 5.896 6.640 1.027 230 HA SER 31 HA SER 31 5.617 4.442 2.975 231 1HB SER 31 1HB SER 31 5.631 6.934 3.517 232 2HB SER 31 2HB SER 31 4.073 7.029 2.664 233 HG SER 31 HG SER 31 4.711 5.985 5.137 234 H CYS 32 H CYS 32 3.887 3.027 2.949 235 HA CYS 32 HA CYS 32 2.123 2.994 0.606 236 1HB CYS 32 1HB CYS 32 2.353 1.257 3.093 237 2HB CYS 32 2HB CYS 32 1.081 1.058 1.892 238 H LYS 33 H LYS 33 0.219 3.959 0.527 239 HA LYS 33 HA LYS 33 -1.249 4.442 3.053 240 1HB LYS 33 1HB LYS 33 -0.866 6.434 0.762 241 2HB LYS 33 2HB LYS 33 -2.084 6.618 2.026 242 1HG LYS 33 1HG LYS 33 0.922 6.470 2.550 243 2HG LYS 33 2HG LYS 33 0.015 7.964 2.381 244 1HD LYS 33 1HD LYS 33 -0.880 7.862 4.464 245 2HD LYS 33 2HD LYS 33 -1.184 6.141 4.384 246 1HE LYS 33 1HE LYS 33 0.389 6.447 6.130 247 2HE LYS 33 2HE LYS 33 1.248 5.689 4.787 248 1HZ LYS 33 1HZ LYS 33 2.136 7.874 4.227 249 2HZ LYS 33 2HZ LYS 33 1.356 8.564 5.498 250 3HZ LYS 33 3HZ LYS 33 2.522 7.423 5.762 251 H CYS 34 H CYS 34 -3.560 4.406 2.704 252 HA CYS 34 HA CYS 34 -4.397 3.415 0.067 253 1HB CYS 34 1HB CYS 34 -5.080 2.056 2.708 254 2HB CYS 34 2HB CYS 34 -5.909 1.766 1.179 255 H TYR 35 H TYR 35 -6.772 3.545 -0.101 256 HA TYR 35 HA TYR 35 -7.750 6.009 1.307 257 1HB TYR 35 1HB TYR 35 -8.431 4.862 -1.400 258 2HB TYR 35 2HB TYR 35 -9.210 6.262 -0.674 259 HD1 TYR 35 HD1 TYR 35 -7.956 8.357 -0.240 260 HD2 TYR 35 HD2 TYR 35 -6.120 5.059 -2.331 261 HE1 TYR 35 HE1 TYR 35 -6.123 9.828 -0.973 262 HE2 TYR 35 HE2 TYR 35 -4.328 6.565 -3.137 263 HH TYR 35 HH TYR 35 -4.348 10.083 -2.326 264 H GLY 36 H GLY 36 -7.742 3.354 2.517 265 1HA GLY 36 1HA GLY 36 -9.061 1.749 3.409 266 2HA GLY 36 2HA GLY 36 -10.274 3.032 3.546 267 H CYS 37 H CYS 37 -12.104 2.604 2.543 268 HA CYS 37 HA CYS 37 -12.137 0.867 0.133 269 1HB CYS 37 1HB CYS 37 -13.135 0.223 2.526 270 2HB CYS 37 2HB CYS 37 -14.503 1.168 1.950 271 H THR 38 H THR 38 -11.753 3.782 0.040 272 HA THR 38 HA THR 38 -12.522 5.607 -1.030 273 HB THR 38 HB THR 38 -14.006 3.432 -2.525 274 HG1 THR 38 HG1 THR 38 -12.236 5.132 -3.725 275 1HG2 THR 38 1HG2 THR 38 -14.120 6.386 -3.214 276 2HG2 THR 38 2HG2 THR 38 -14.362 5.067 -4.393 277 3HG2 THR 38 3HG2 THR 38 -15.468 5.243 -3.059 No H/Q in entry = 277 Start of MODEL 8 1 H1 ASP 1 H1 ASP 1 11.139 -2.520 8.255 2 H2 ASP 1 H2 ASP 1 10.700 -1.137 7.502 3 H3 ASP 1 H3 ASP 1 12.308 -1.516 7.649 4 HA ASP 1 HA ASP 1 12.252 -1.238 9.977 5 1HB ASP 1 1HB ASP 1 11.893 0.853 8.078 6 2HB ASP 1 2HB ASP 1 10.856 1.273 9.434 7 H GLU 2 H GLU 2 10.884 -0.125 11.831 8 HA GLU 2 HA GLU 2 8.214 -1.294 11.898 9 1HB GLU 2 2HB GLU 2 8.033 -0.613 14.069 10 2HB GLU 2 1HB GLU 2 9.132 0.747 13.915 11 1HG GLU 2 2HG GLU 2 10.277 -2.023 13.621 12 2HG GLU 2 1HG GLU 2 9.829 -1.425 15.224 13 H ALA 3 H ALA 3 7.795 -0.182 9.761 14 HA ALA 3 HA ALA 3 5.943 1.949 10.215 15 1HB ALA 3 2HB ALA 3 6.913 3.491 8.483 16 2HB ALA 3 3HB ALA 3 7.876 3.436 9.961 17 3HB ALA 3 1HB ALA 3 8.422 2.553 8.512 18 H ILE 4 H ILE 4 4.696 2.334 8.284 19 HA ILE 4 HA ILE 4 4.495 0.037 6.506 20 HB ILE 4 HB ILE 4 2.883 2.627 6.392 21 1HG1 ILE 4 2HG1 ILE 4 2.299 0.174 8.117 22 2HG1 ILE 4 1HG1 ILE 4 1.060 1.290 7.559 23 1HG2 ILE 4 1HG2 ILE 4 2.892 0.979 4.476 24 2HG2 ILE 4 2HG2 ILE 4 2.220 -0.227 5.577 25 3HG2 ILE 4 3HG2 ILE 4 1.293 1.243 5.207 26 1HD1 ILE 4 1HD1 ILE 4 2.448 3.163 8.700 27 2HD1 ILE 4 2HD1 ILE 4 1.482 2.060 9.696 28 3HD1 ILE 4 3HD1 ILE 4 3.223 1.826 9.580 29 H ARG 5 H ARG 5 6.262 0.042 5.020 30 HA ARG 5 HA ARG 5 6.566 2.477 3.391 31 1HB ARG 5 1HB ARG 5 8.280 2.385 5.357 32 2HB ARG 5 2HB ARG 5 9.115 1.189 4.345 33 1HG ARG 5 1HG ARG 5 9.239 2.796 2.492 34 2HG ARG 5 2HG ARG 5 8.218 3.948 3.371 35 1HD ARG 5 1HD ARG 5 11.002 3.118 4.209 36 2HD ARG 5 2HD ARG 5 10.544 4.619 3.380 37 HE ARG 5 HE ARG 5 8.931 4.683 5.566 38 1HH1 ARG 5 1HH1 ARG 5 12.443 4.514 5.172 39 2HH1 ARG 5 2HH1 ARG 5 12.785 4.908 6.831 40 1HH2 ARG 5 1HH2 ARG 5 9.343 5.371 7.645 41 2HH2 ARG 5 2HH2 ARG 5 10.939 5.236 8.336 42 H CYS 6 H CYS 6 6.618 2.042 1.304 43 HA CYS 6 HA CYS 6 6.162 -0.737 0.585 44 1HB CYS 6 2HB CYS 6 4.880 1.443 -0.121 45 2HB CYS 6 1HB CYS 6 5.071 0.085 -1.219 46 H THR 7 H THR 7 7.533 -1.998 -0.589 47 HA THR 7 HA THR 7 10.145 -0.964 -1.430 48 HB THR 7 HB THR 7 8.740 -3.640 -1.706 49 HG1 THR 7 HG1 THR 7 10.265 -4.148 -0.041 50 1HG2 THR 7 1HG2 THR 7 11.684 -2.972 -2.178 51 2HG2 THR 7 2HG2 THR 7 10.966 -4.603 -2.170 52 3HG2 THR 7 3HG2 THR 7 10.514 -3.460 -3.429 53 H GLY 8 H GLY 8 6.924 -1.303 -2.771 54 1HA GLY 8 1HA GLY 8 7.377 0.363 -4.939 55 2HA GLY 8 2HA GLY 8 7.313 -1.313 -5.543 56 H THR 9 H THR 9 5.232 0.167 -6.404 57 HA THR 9 HA THR 9 3.171 0.598 -4.498 58 HB THR 9 HB THR 9 2.931 0.420 -7.515 59 HG1 THR 9 HG1 THR 9 4.121 2.128 -7.415 60 1HG2 THR 9 1HG2 THR 9 1.249 1.894 -5.424 61 2HG2 THR 9 2HG2 THR 9 1.127 2.106 -7.187 62 3HG2 THR 9 3HG2 THR 9 0.706 0.556 -6.459 63 H LYS 10 H LYS 10 3.895 -2.452 -6.230 64 HA LYS 10 HA LYS 10 1.289 -3.566 -5.558 65 1HB LYS 10 1HB LYS 10 3.899 -4.918 -6.294 66 2HB LYS 10 2HB LYS 10 2.429 -5.773 -5.836 67 1HG LYS 10 1HG LYS 10 1.164 -4.628 -7.663 68 2HG LYS 10 2HG LYS 10 2.651 -3.808 -8.160 69 1HD LYS 10 2HD LYS 10 3.701 -5.987 -8.638 70 2HD LYS 10 1HD LYS 10 2.254 -5.702 -9.613 71 1HE LYS 10 1HE LYS 10 2.306 -7.380 -7.068 72 2HE LYS 10 2HE LYS 10 0.916 -7.163 -8.134 73 1HZ LYS 10 1HZ LYS 10 3.447 -8.268 -9.132 74 2HZ LYS 10 2HZ LYS 10 2.366 -9.241 -8.377 75 3HZ LYS 10 3HZ LYS 10 1.948 -8.446 -9.771 76 H ASP 11 H ASP 11 4.333 -3.086 -3.816 77 HA ASP 11 HA ASP 11 3.889 -4.920 -1.702 78 1HB ASP 11 1HB ASP 11 6.013 -3.590 -2.381 79 2HB ASP 11 2HB ASP 11 5.323 -2.270 -1.427 80 H CYS 12 H CYS 12 2.322 -1.945 -2.466 81 HA CYS 12 HA CYS 12 1.137 -1.633 0.241 82 1HB CYS 12 1HB CYS 12 0.598 -0.086 -2.333 83 2HB CYS 12 2HB CYS 12 -0.002 0.294 -0.718 84 H TYR 13 H TYR 13 0.261 -2.394 -3.147 85 HA TYR 13 HA TYR 13 -2.510 -2.633 -2.666 86 1HB TYR 13 1HB TYR 13 -0.640 -3.324 -4.891 87 2HB TYR 13 2HB TYR 13 -2.170 -4.161 -4.884 88 HD1 TYR 13 HD1 TYR 13 -4.290 -2.665 -4.346 89 HD2 TYR 13 HD2 TYR 13 -0.606 -1.222 -6.051 90 HE1 TYR 13 HE1 TYR 13 -5.503 -0.793 -5.384 91 HE2 TYR 13 HE2 TYR 13 -1.818 0.721 -7.026 92 HH TYR 13 HH TYR 13 -3.984 1.681 -7.406 93 H ILE 14 H ILE 14 0.024 -5.103 -2.191 94 HA ILE 14 HA ILE 14 -1.917 -7.253 -1.934 95 HB ILE 14 HB ILE 14 0.994 -7.017 -1.154 96 1HG1 ILE 14 1HG1 ILE 14 1.018 -9.178 -2.559 97 2HG1 ILE 14 2HG1 ILE 14 -0.629 -8.794 -3.039 98 1HG2 ILE 14 1HG2 ILE 14 -0.861 -9.351 -0.489 99 2HG2 ILE 14 2HG2 ILE 14 0.911 -9.319 -0.291 100 3HG2 ILE 14 3HG2 ILE 14 -0.093 -8.289 0.704 101 1HD1 ILE 14 1HD1 ILE 14 1.852 -7.092 -3.525 102 2HD1 ILE 14 2HD1 ILE 14 1.071 -8.131 -4.713 103 3HD1 ILE 14 3HD1 ILE 14 0.203 -6.711 -4.116 104 HA PRO 15 HA PRO 15 -1.903 -6.561 2.692 105 1HB PRO 15 1HB PRO 15 -0.842 -4.262 3.848 106 2HB PRO 15 2HB PRO 15 -0.046 -5.856 3.705 107 1HG PRO 15 1HG PRO 15 0.260 -3.454 1.898 108 2HG PRO 15 2HG PRO 15 1.527 -4.559 2.524 109 1HD PRO 15 1HD PRO 15 0.552 -4.820 0.020 110 2HD PRO 15 2HD PRO 15 0.943 -6.247 1.021 111 H CYS 16 H CYS 16 -2.185 -3.362 0.958 112 HA CYS 16 HA CYS 16 -4.407 -2.441 2.498 113 1HB CYS 16 1HB CYS 16 -3.671 -2.016 -0.401 114 2HB CYS 16 2HB CYS 16 -5.060 -1.247 0.357 115 H ARG 17 H ARG 17 -4.339 -4.568 -0.465 116 HA ARG 17 HA ARG 17 -7.221 -4.873 -0.507 117 1HB ARG 17 1HB ARG 17 -5.817 -5.264 -2.452 118 2HB ARG 17 2HB ARG 17 -4.950 -6.558 -1.635 119 1HG ARG 17 1HG ARG 17 -7.922 -6.928 -1.911 120 2HG ARG 17 2HG ARG 17 -6.979 -6.930 -3.386 121 1HD ARG 17 1HD ARG 17 -6.882 -9.141 -2.936 122 2HD ARG 17 2HD ARG 17 -5.393 -8.626 -2.149 123 HE ARG 17 HE ARG 17 -7.613 -8.527 -0.313 124 1HH1 ARG 17 1HH1 ARG 17 -5.465 -10.907 -1.930 125 2HH1 ARG 17 2HH1 ARG 17 -5.890 -12.181 -0.823 126 1HH2 ARG 17 1HH2 ARG 17 -8.195 -10.224 1.020 127 2HH2 ARG 17 2HH2 ARG 17 -7.552 -11.808 0.829 128 H TYR 18 H TYR 18 -4.537 -6.606 1.144 129 HA TYR 18 HA TYR 18 -6.197 -8.733 2.085 130 1HB TYR 18 1HB TYR 18 -3.621 -8.576 1.895 131 2HB TYR 18 2HB TYR 18 -3.680 -7.753 3.447 132 HD1 TYR 18 HD1 TYR 18 -4.542 -10.917 1.645 133 HD2 TYR 18 HD2 TYR 18 -3.892 -9.043 5.486 134 HE1 TYR 18 HE1 TYR 18 -4.555 -13.143 2.734 135 HE2 TYR 18 HE2 TYR 18 -3.887 -11.246 6.569 136 HH TYR 18 HH TYR 18 -4.123 -13.551 6.278 137 H ILE 19 H ILE 19 -5.623 -5.459 3.387 138 HA ILE 19 HA ILE 19 -7.235 -6.104 5.788 139 HB ILE 19 HB ILE 19 -5.687 -3.628 4.956 140 1HG1 ILE 19 1HG1 ILE 19 -4.764 -4.026 7.339 141 2HG1 ILE 19 2HG1 ILE 19 -5.571 -5.581 7.309 142 1HG2 ILE 19 1HG2 ILE 19 -7.615 -3.925 7.305 143 2HG2 ILE 19 2HG2 ILE 19 -6.447 -2.608 7.113 144 3HG2 ILE 19 3HG2 ILE 19 -7.765 -2.762 5.969 145 1HD1 ILE 19 1HD1 ILE 19 -3.363 -4.635 5.434 146 2HD1 ILE 19 2HD1 ILE 19 -3.162 -5.702 6.816 147 3HD1 ILE 19 3HD1 ILE 19 -4.089 -6.272 5.432 148 H THR 20 H THR 20 -7.510 -3.408 3.383 149 HA THR 20 HA THR 20 -10.172 -2.824 4.000 150 HB THR 20 HB THR 20 -8.403 -2.195 1.609 151 HG1 THR 20 HG1 THR 20 -8.997 -0.297 3.526 152 1HG2 THR 20 1HG2 THR 20 -11.002 -0.891 2.444 153 2HG2 THR 20 2HG2 THR 20 -9.793 -0.125 1.373 154 3HG2 THR 20 3HG2 THR 20 -10.595 -1.620 0.879 155 H GLY 21 H GLY 21 -8.994 -5.378 1.852 156 1HA GLY 21 1HA GLY 21 -10.215 -6.943 0.703 157 2HA GLY 21 2HA GLY 21 -11.717 -6.140 1.177 158 H CYS 22 H CYS 22 -11.571 -3.676 0.189 159 HA CYS 22 HA CYS 22 -11.718 -3.907 -2.690 160 1HB CYS 22 1HB CYS 22 -11.710 -1.353 -1.067 161 2HB CYS 22 2HB CYS 22 -12.435 -1.652 -2.647 162 H PHE 23 H PHE 23 -10.293 -3.155 -4.217 163 HA PHE 23 HA PHE 23 -7.477 -3.006 -3.388 164 1HB PHE 23 1HB PHE 23 -8.396 -4.687 -4.994 165 2HB PHE 23 2HB PHE 23 -8.842 -3.400 -6.090 166 HD1 PHE 23 HD1 PHE 23 -6.101 -5.407 -4.711 167 HD2 PHE 23 HD2 PHE 23 -7.099 -2.211 -7.432 168 HE1 PHE 23 HE1 PHE 23 -3.883 -5.622 -5.796 169 HE2 PHE 23 HE2 PHE 23 -4.901 -2.465 -8.527 170 HZ PHE 23 HZ PHE 23 -3.287 -4.206 -7.692 171 H ASN 24 H ASN 24 -7.309 -0.693 -2.691 172 HA ASN 24 HA ASN 24 -6.842 1.003 -5.047 173 1HB ASN 24 1HB ASN 24 -9.314 1.252 -4.082 174 2HB ASN 24 2HB ASN 24 -8.511 2.266 -2.893 175 2HD2 ASN 24 1HD2 ASN 24 -9.443 4.248 -3.627 176 1HD2 ASN 24 2HD2 ASN 24 -9.150 4.868 -5.233 177 H SER 25 H SER 25 -4.694 1.584 -4.683 178 HA SER 25 HA SER 25 -3.914 2.578 -2.019 179 1HB SER 25 2HB SER 25 -2.260 0.904 -1.657 180 2HB SER 25 1HB SER 25 -2.396 0.284 -3.314 181 HG SER 25 HG SER 25 -4.632 0.257 -1.629 182 H ARG 26 H ARG 26 -1.649 3.434 -1.956 183 HA ARG 26 HA ARG 26 -0.398 4.069 -4.554 184 1HB ARG 26 1HB ARG 26 -2.434 5.698 -3.466 185 2HB ARG 26 2HB ARG 26 -0.993 6.458 -2.839 186 1HG ARG 26 1HG ARG 26 -1.474 5.821 -5.776 187 2HG ARG 26 2HG ARG 26 -1.905 7.353 -5.027 188 1HD ARG 26 1HD ARG 26 0.235 8.120 -4.921 189 2HD ARG 26 2HD ARG 26 0.899 6.533 -4.568 190 HE ARG 26 HE ARG 26 -0.002 7.382 -7.270 191 1HH1 ARG 26 1HH1 ARG 26 2.736 6.199 -5.368 192 2HH1 ARG 26 2HH1 ARG 26 3.417 5.282 -6.668 193 1HH2 ARG 26 1HH2 ARG 26 1.026 6.323 -9.045 194 2HH2 ARG 26 2HH2 ARG 26 2.461 5.391 -8.802 195 H CYS 27 H CYS 27 1.872 4.435 -4.242 196 HA CYS 27 HA CYS 27 2.888 4.411 -1.439 197 1HB CYS 27 1HB CYS 27 4.371 4.533 -4.107 198 2HB CYS 27 2HB CYS 27 5.125 4.607 -2.533 199 H ILE 28 H ILE 28 3.363 6.486 -0.507 200 HA ILE 28 HA ILE 28 4.047 8.696 -2.314 201 HB ILE 28 HB ILE 28 1.672 9.053 -1.933 202 1HG1 ILE 28 1HG1 ILE 28 1.707 11.246 -0.734 203 2HG1 ILE 28 2HG1 ILE 28 3.359 10.924 -0.224 204 1HG2 ILE 28 1HG2 ILE 28 1.343 7.712 0.103 205 2HG2 ILE 28 2HG2 ILE 28 2.230 8.919 1.062 206 3HG2 ILE 28 3HG2 ILE 28 0.696 9.342 0.296 207 1HD1 ILE 28 1HD1 ILE 28 2.372 11.200 -3.095 208 2HD1 ILE 28 2HD1 ILE 28 3.270 12.421 -2.180 209 3HD1 ILE 28 3HD1 ILE 28 4.060 10.899 -2.628 210 H ASN 29 H ASN 29 5.825 9.753 -1.494 211 HA ASN 29 HA ASN 29 7.727 9.935 -0.298 212 1HB ASN 29 1HB ASN 29 6.068 11.064 1.321 213 2HB ASN 29 2HB ASN 29 6.121 9.569 2.254 214 2HD2 ASN 29 1HD2 ASN 29 7.412 10.147 4.055 215 1HD2 ASN 29 2HD2 ASN 29 9.029 10.828 3.902 216 H LYS 30 H LYS 30 6.914 7.358 -1.232 217 HA LYS 30 HA LYS 30 7.288 5.207 -1.207 218 1HB LYS 30 1HB LYS 30 9.722 6.213 -0.629 219 2HB LYS 30 2HB LYS 30 9.470 5.241 0.832 220 1HG LYS 30 1HG LYS 30 8.757 3.351 -0.836 221 2HG LYS 30 2HG LYS 30 9.469 4.363 -2.088 222 1HD LYS 30 1HD LYS 30 11.642 4.304 -0.821 223 2HD LYS 30 2HD LYS 30 10.872 3.201 0.348 224 1HE LYS 30 1HE LYS 30 10.274 1.781 -1.757 225 2HE LYS 30 2HE LYS 30 11.463 2.762 -2.610 226 1HZ LYS 30 1HZ LYS 30 11.997 1.143 -0.189 227 2HZ LYS 30 2HZ LYS 30 12.373 0.725 -1.757 228 3HZ LYS 30 3HZ LYS 30 13.128 1.993 -1.062 229 H SER 31 H SER 31 5.663 6.537 1.214 230 HA SER 31 HA SER 31 5.489 4.107 2.886 231 1HB SER 31 1HB SER 31 5.808 6.408 3.893 232 2HB SER 31 2HB SER 31 4.217 6.848 3.248 233 HG SER 31 HG SER 31 4.620 4.553 4.911 234 H CYS 32 H CYS 32 3.337 3.135 3.107 235 HA CYS 32 HA CYS 32 1.912 3.270 0.511 236 1HB CYS 32 1HB CYS 32 1.606 1.393 2.877 237 2HB CYS 32 2HB CYS 32 0.607 1.361 1.450 238 H LYS 33 H LYS 33 -0.036 4.096 0.244 239 HA LYS 33 HA LYS 33 -1.714 4.749 2.611 240 1HB LYS 33 1HB LYS 33 -1.238 6.270 0.002 241 2HB LYS 33 2HB LYS 33 -2.703 6.487 0.947 242 1HG LYS 33 1HG LYS 33 0.117 7.021 1.973 243 2HG LYS 33 2HG LYS 33 -1.051 8.231 1.405 244 1HD LYS 33 1HD LYS 33 -2.636 7.402 3.223 245 2HD LYS 33 2HD LYS 33 -1.266 6.458 3.850 246 1HE LYS 33 1HE LYS 33 0.062 8.487 4.155 247 2HE LYS 33 2HE LYS 33 -1.210 9.477 3.425 248 1HZ LYS 33 1HZ LYS 33 -1.646 7.869 5.855 249 2HZ LYS 33 2HZ LYS 33 -1.155 9.430 5.920 250 3HZ LYS 33 3HZ LYS 33 -2.614 9.064 5.260 251 H CYS 34 H CYS 34 -3.667 3.830 2.563 252 HA CYS 34 HA CYS 34 -4.473 2.321 0.108 253 1HB CYS 34 1HB CYS 34 -5.672 2.192 2.886 254 2HB CYS 34 2HB CYS 34 -6.001 1.125 1.534 255 H TYR 35 H TYR 35 -6.645 2.951 -0.729 256 HA TYR 35 HA TYR 35 -8.001 5.106 0.668 257 1HB TYR 35 2HB TYR 35 -6.344 6.399 -0.580 258 2HB TYR 35 1HB TYR 35 -7.996 6.777 -0.973 259 HD1 TYR 35 HD1 TYR 35 -5.173 4.607 -2.261 260 HD2 TYR 35 HD2 TYR 35 -8.491 7.199 -3.200 261 HE1 TYR 35 HE1 TYR 35 -4.591 4.499 -4.683 262 HE2 TYR 35 HE2 TYR 35 -7.872 7.141 -5.587 263 HH TYR 35 HH TYR 35 -5.548 6.697 -6.864 264 H GLY 36 H GLY 36 -8.794 2.645 0.491 265 1HA GLY 36 1HA GLY 36 -10.664 2.362 -1.818 266 2HA GLY 36 2HA GLY 36 -10.090 1.051 -0.778 267 H CYS 37 H CYS 37 -12.105 0.388 -0.185 268 HA CYS 37 HA CYS 37 -14.306 1.875 0.566 269 1HB CYS 37 1HB CYS 37 -13.400 -0.900 1.418 270 2HB CYS 37 2HB CYS 37 -14.999 -0.247 1.735 271 H THR 38 H THR 38 -11.519 0.970 2.736 272 HA THR 38 HA THR 38 -12.237 3.050 4.485 273 HB THR 38 HB THR 38 -13.782 1.130 5.220 274 HG1 THR 38 HG1 THR 38 -13.447 2.740 6.604 275 1HG2 THR 38 1HG2 THR 38 -12.185 -0.756 4.975 276 2HG2 THR 38 2HG2 THR 38 -11.224 -0.098 6.321 277 3HG2 THR 38 3HG2 THR 38 -12.894 -0.637 6.591 No H/Q in entry = 277 Start of MODEL 9 1 H1 ASP 1 H1 ASP 1 7.833 -3.593 14.498 2 H2 ASP 1 H2 ASP 1 8.508 -4.229 13.146 3 H3 ASP 1 H3 ASP 1 9.466 -3.661 14.364 4 HA ASP 1 HA ASP 1 8.779 -1.437 14.018 5 1HB ASP 1 1HB ASP 1 9.700 -2.881 11.510 6 2HB ASP 1 2HB ASP 1 9.449 -1.130 11.557 7 H GLU 2 H GLU 2 6.618 -0.924 14.289 8 HA GLU 2 HA GLU 2 4.738 -1.184 12.036 9 1HB GLU 2 1HB GLU 2 4.686 0.256 14.716 10 2HB GLU 2 2HB GLU 2 3.527 0.627 13.455 11 1HG GLU 2 1HG GLU 2 2.500 -0.988 14.889 12 2HG GLU 2 2HG GLU 2 2.829 -1.754 13.341 13 H ALA 3 H ALA 3 6.085 -0.459 10.400 14 HA ALA 3 HA ALA 3 6.269 2.467 10.142 15 1HB ALA 3 3HB ALA 3 8.557 1.803 10.689 16 2HB ALA 3 2HB ALA 3 8.476 2.120 8.944 17 3HB ALA 3 1HB ALA 3 8.488 0.452 9.538 18 H ILE 4 H ILE 4 6.156 3.025 7.839 19 HA ILE 4 HA ILE 4 4.798 0.946 6.177 20 HB ILE 4 HB ILE 4 3.903 3.833 6.531 21 1HG1 ILE 4 1HG1 ILE 4 3.369 2.621 8.604 22 2HG1 ILE 4 2HG1 ILE 4 1.957 3.134 7.712 23 1HG2 ILE 4 1HG2 ILE 4 3.459 2.869 4.320 24 2HG2 ILE 4 2HG2 ILE 4 2.619 1.498 5.040 25 3HG2 ILE 4 3HG2 ILE 4 1.949 3.139 5.199 26 1HD1 ILE 4 1HD1 ILE 4 3.040 0.288 7.655 27 2HD1 ILE 4 2HD1 ILE 4 1.729 0.863 8.701 28 3HD1 ILE 4 3HD1 ILE 4 1.510 0.860 6.949 29 H ARG 5 H ARG 5 6.599 0.636 4.880 30 HA ARG 5 HA ARG 5 7.506 2.925 3.254 31 1HB ARG 5 1HB ARG 5 8.886 2.710 5.284 32 2HB ARG 5 2HB ARG 5 9.386 1.104 4.798 33 1HG ARG 5 1HG ARG 5 9.786 3.559 3.017 34 2HG ARG 5 2HG ARG 5 10.908 3.183 4.312 35 1HD ARG 5 2HD ARG 5 11.753 2.373 2.183 36 2HD ARG 5 1HD ARG 5 10.312 1.385 1.932 37 HE ARG 5 HE ARG 5 11.522 0.754 4.455 38 1HH1 ARG 5 1HH1 ARG 5 12.290 0.400 1.001 39 2HH1 ARG 5 2HH1 ARG 5 13.045 -1.155 1.188 40 1HH2 ARG 5 1HH2 ARG 5 12.435 -1.365 4.683 41 2HH2 ARG 5 2HH2 ARG 5 13.035 -2.195 3.295 42 H CYS 6 H CYS 6 6.824 2.153 1.304 43 HA CYS 6 HA CYS 6 7.086 -0.732 0.623 44 1HB CYS 6 1HB CYS 6 5.713 0.040 -1.383 45 2HB CYS 6 2HB CYS 6 4.921 -0.068 0.181 46 H THR 7 H THR 7 8.857 -1.284 -0.549 47 HA THR 7 HA THR 7 10.608 0.700 -1.647 48 HB THR 7 HB THR 7 11.385 -1.453 -0.872 49 HG1 THR 7 HG1 THR 7 11.875 -0.959 -3.622 50 1HG2 THR 7 1HG2 THR 7 9.593 -2.961 -1.654 51 2HG2 THR 7 2HG2 THR 7 10.134 -2.739 -3.333 52 3HG2 THR 7 3HG2 THR 7 11.198 -3.507 -2.142 53 H GLY 8 H GLY 8 8.006 -1.275 -3.188 54 1HA GLY 8 1HA GLY 8 8.118 0.571 -5.516 55 2HA GLY 8 2HA GLY 8 7.942 -1.185 -5.723 56 H THR 9 H THR 9 5.977 0.842 -6.489 57 HA THR 9 HA THR 9 3.964 1.233 -4.631 58 HB THR 9 HB THR 9 3.446 0.771 -7.588 59 HG1 THR 9 HG1 THR 9 4.033 3.342 -6.833 60 1HG2 THR 9 1HG2 THR 9 2.245 2.654 -5.510 61 2HG2 THR 9 2HG2 THR 9 1.827 2.646 -7.233 62 3HG2 THR 9 3HG2 THR 9 1.455 1.238 -6.225 63 H LYS 10 H LYS 10 4.334 -1.520 -6.902 64 HA LYS 10 HA LYS 10 1.930 -2.819 -6.015 65 1HB LYS 10 1HB LYS 10 2.588 -4.610 -7.478 66 2HB LYS 10 2HB LYS 10 2.786 -3.040 -8.244 67 1HG LYS 10 1HG LYS 10 5.315 -3.261 -7.451 68 2HG LYS 10 2HG LYS 10 4.922 -4.976 -7.292 69 1HD LYS 10 1HD LYS 10 4.501 -3.289 -9.797 70 2HD LYS 10 2HD LYS 10 5.891 -4.346 -9.513 71 1HE LYS 10 1HE LYS 10 4.531 -6.310 -9.493 72 2HE LYS 10 2HE LYS 10 3.026 -5.386 -9.459 73 1HZ LYS 10 1HZ LYS 10 4.932 -5.286 -11.700 74 2HZ LYS 10 2HZ LYS 10 3.629 -6.276 -11.665 75 3HZ LYS 10 3HZ LYS 10 3.408 -4.647 -11.657 76 H ASP 11 H ASP 11 4.747 -2.522 -4.161 77 HA ASP 11 HA ASP 11 4.737 -5.243 -3.070 78 1HB ASP 11 1HB ASP 11 6.022 -2.634 -2.192 79 2HB ASP 11 2HB ASP 11 5.930 -4.026 -1.131 80 H CYS 12 H CYS 12 3.668 -2.051 -1.855 81 HA CYS 12 HA CYS 12 2.188 -3.099 0.291 82 1HB CYS 12 1HB CYS 12 3.019 -0.601 -0.523 83 2HB CYS 12 2HB CYS 12 1.270 -0.455 -0.650 84 H TYR 13 H TYR 13 1.347 -3.902 -2.630 85 HA TYR 13 HA TYR 13 -1.521 -3.279 -2.727 86 1HB TYR 13 1HB TYR 13 0.421 -4.818 -4.416 87 2HB TYR 13 2HB TYR 13 -1.234 -5.386 -4.385 88 HD1 TYR 13 HD1 TYR 13 0.418 -1.992 -4.409 89 HD2 TYR 13 HD2 TYR 13 -2.566 -4.567 -6.162 90 HE1 TYR 13 HE1 TYR 13 -0.476 -0.084 -5.657 91 HE2 TYR 13 HE2 TYR 13 -3.510 -2.642 -7.374 92 HH TYR 13 HH TYR 13 -2.579 0.636 -6.576 93 H ILE 14 H ILE 14 0.500 -6.203 -2.039 94 HA ILE 14 HA ILE 14 -1.694 -7.799 -1.393 95 HB ILE 14 HB ILE 14 1.057 -8.237 -0.199 96 1HG1 ILE 14 2HG1 ILE 14 1.661 -9.488 -2.211 97 2HG1 ILE 14 1HG1 ILE 14 1.555 -7.766 -2.484 98 1HG2 ILE 14 1HG2 ILE 14 -1.201 -10.099 -1.041 99 2HG2 ILE 14 2HG2 ILE 14 0.413 -10.632 -0.526 100 3HG2 ILE 14 3HG2 ILE 14 -0.630 -9.769 0.606 101 1HD1 ILE 14 1HD1 ILE 14 -0.567 -9.796 -3.297 102 2HD1 ILE 14 2HD1 ILE 14 -0.618 -8.056 -3.639 103 3HD1 ILE 14 3HD1 ILE 14 0.645 -9.064 -4.360 104 HA PRO 15 HA PRO 15 -1.067 -7.161 3.259 105 1HB PRO 15 1HB PRO 15 0.027 -4.817 4.249 106 2HB PRO 15 2HB PRO 15 0.928 -6.344 3.978 107 1HG PRO 15 2HG PRO 15 2.196 -4.867 2.611 108 2HG PRO 15 1HG PRO 15 0.738 -3.933 2.148 109 1HD PRO 15 1HD PRO 15 0.956 -5.321 0.270 110 2HD PRO 15 2HD PRO 15 1.588 -6.684 1.232 111 H CYS 16 H CYS 16 -1.479 -3.971 1.551 112 HA CYS 16 HA CYS 16 -3.648 -3.142 3.233 113 1HB CYS 16 1HB CYS 16 -2.809 -2.351 0.448 114 2HB CYS 16 2HB CYS 16 -4.193 -1.646 1.276 115 H ARG 17 H ARG 17 -3.602 -4.972 0.078 116 HA ARG 17 HA ARG 17 -6.436 -5.130 -0.148 117 1HB ARG 17 1HB ARG 17 -4.759 -5.732 -1.885 118 2HB ARG 17 2HB ARG 17 -4.347 -7.196 -1.003 119 1HG ARG 17 1HG ARG 17 -7.182 -6.606 -1.980 120 2HG ARG 17 2HG ARG 17 -5.950 -7.271 -3.016 121 1HD ARG 17 2HD ARG 17 -5.662 -9.136 -1.212 122 2HD ARG 17 1HD ARG 17 -6.913 -9.184 -2.461 123 HE ARG 17 HE ARG 17 -7.837 -7.911 -0.033 124 1HH1 ARG 17 1HH1 ARG 17 -7.279 -11.094 -1.520 125 2HH1 ARG 17 2HH1 ARG 17 -8.616 -11.838 -0.699 126 1HH2 ARG 17 1HH2 ARG 17 -9.583 -9.008 1.156 127 2HH2 ARG 17 2HH2 ARG 17 -9.914 -10.630 0.821 128 H TYR 18 H TYR 18 -4.054 -7.159 1.662 129 HA TYR 18 HA TYR 18 -5.995 -8.960 2.672 130 1HB TYR 18 1HB TYR 18 -3.209 -8.560 2.964 131 2HB TYR 18 2HB TYR 18 -3.837 -8.405 4.583 132 HD1 TYR 18 HD1 TYR 18 -5.769 -10.297 5.137 133 HD2 TYR 18 HD2 TYR 18 -2.561 -10.683 2.270 134 HE1 TYR 18 HE1 TYR 18 -5.914 -12.753 5.304 135 HE2 TYR 18 HE2 TYR 18 -2.729 -13.136 2.408 136 HH TYR 18 HH TYR 18 -5.343 -14.777 4.162 137 H ILE 19 H ILE 19 -4.767 -5.912 4.118 138 HA ILE 19 HA ILE 19 -6.276 -6.155 6.533 139 HB ILE 19 HB ILE 19 -4.819 -3.833 5.211 140 1HG1 ILE 19 1HG1 ILE 19 -3.949 -5.360 7.693 141 2HG1 ILE 19 2HG1 ILE 19 -3.601 -6.011 6.107 142 1HG2 ILE 19 1HG2 ILE 19 -5.981 -3.988 8.025 143 2HG2 ILE 19 2HG2 ILE 19 -4.828 -2.750 7.490 144 3HG2 ILE 19 3HG2 ILE 19 -6.417 -2.823 6.753 145 1HD1 ILE 19 1HD1 ILE 19 -2.436 -3.885 5.482 146 2HD1 ILE 19 2HD1 ILE 19 -2.684 -3.325 7.146 147 3HD1 ILE 19 3HD1 ILE 19 -1.682 -4.753 6.832 148 H THR 20 H THR 20 -6.771 -4.022 3.665 149 HA THR 20 HA THR 20 -9.291 -2.999 4.748 150 HB THR 20 HB THR 20 -7.585 -2.382 2.301 151 HG1 THR 20 HG1 THR 20 -7.918 -1.048 4.791 152 1HG2 THR 20 1HG2 THR 20 -9.946 -0.848 3.431 153 2HG2 THR 20 2HG2 THR 20 -8.720 -0.168 2.328 154 3HG2 THR 20 3HG2 THR 20 -9.756 -1.503 1.790 155 H GLY 21 H GLY 21 -8.346 -5.601 2.643 156 1HA GLY 21 1HA GLY 21 -9.656 -7.124 1.571 157 2HA GLY 21 2HA GLY 21 -11.110 -6.196 1.934 158 H CYS 22 H CYS 22 -11.125 -3.986 0.821 159 HA CYS 22 HA CYS 22 -11.252 -4.303 -1.991 160 1HB CYS 22 1HB CYS 22 -11.199 -1.810 -0.263 161 2HB CYS 22 2HB CYS 22 -11.723 -1.863 -1.945 162 H PHE 23 H PHE 23 -9.717 -4.179 -3.476 163 HA PHE 23 HA PHE 23 -7.004 -3.414 -3.003 164 1HB PHE 23 1HB PHE 23 -8.719 -4.350 -5.254 165 2HB PHE 23 2HB PHE 23 -7.514 -3.227 -5.782 166 HD1 PHE 23 HD1 PHE 23 -5.112 -3.871 -4.136 167 HD2 PHE 23 HD2 PHE 23 -8.012 -6.437 -6.060 168 HE1 PHE 23 HE1 PHE 23 -3.430 -5.647 -4.326 169 HE2 PHE 23 HE2 PHE 23 -6.275 -8.164 -6.351 170 HZ PHE 23 HZ PHE 23 -3.958 -7.768 -5.481 171 H ASN 24 H ASN 24 -5.893 -1.730 -3.922 172 HA ASN 24 HA ASN 24 -5.716 0.005 -5.603 173 1HB ASN 24 1HB ASN 24 -8.092 0.618 -5.737 174 2HB ASN 24 2HB ASN 24 -7.953 1.433 -4.171 175 2HD2 ASN 24 1HD2 ASN 24 -8.353 3.522 -5.021 176 1HD2 ASN 24 2HD2 ASN 24 -7.219 4.385 -6.033 177 H SER 25 H SER 25 -3.824 -0.549 -4.193 178 HA SER 25 HA SER 25 -3.299 1.459 -2.114 179 1HB SER 25 1HB SER 25 -1.384 -0.583 -3.259 180 2HB SER 25 2HB SER 25 -1.199 0.364 -1.782 181 HG SER 25 HG SER 25 -1.844 -1.626 -1.193 182 H ARG 26 H ARG 26 -1.581 3.024 -2.296 183 HA ARG 26 HA ARG 26 -0.228 3.337 -4.890 184 1HB ARG 26 1HB ARG 26 -2.242 4.831 -4.837 185 2HB ARG 26 2HB ARG 26 -1.646 5.572 -3.352 186 1HG ARG 26 1HG ARG 26 0.383 5.654 -5.481 187 2HG ARG 26 2HG ARG 26 -1.131 6.304 -6.066 188 1HD ARG 26 1HD ARG 26 -1.050 8.185 -4.790 189 2HD ARG 26 2HD ARG 26 -0.349 7.352 -3.400 190 HE ARG 26 HE ARG 26 1.797 7.572 -4.235 191 1HH1 ARG 26 1HH1 ARG 26 -0.386 9.232 -6.570 192 2HH1 ARG 26 2HH1 ARG 26 0.956 9.661 -7.577 193 1HH2 ARG 26 1HH2 ARG 26 3.478 8.389 -5.419 194 2HH2 ARG 26 2HH2 ARG 26 3.179 9.368 -6.781 195 H CYS 27 H CYS 27 1.824 4.574 -4.509 196 HA CYS 27 HA CYS 27 2.658 4.629 -1.669 197 1HB CYS 27 1HB CYS 27 4.161 3.476 -4.030 198 2HB CYS 27 2HB CYS 27 4.982 4.073 -2.587 199 H ILE 28 H ILE 28 3.660 6.482 -1.080 200 HA ILE 28 HA ILE 28 4.140 8.593 -3.067 201 HB ILE 28 HB ILE 28 1.777 8.557 -2.234 202 1HG1 ILE 28 1HG1 ILE 28 2.782 10.521 -3.240 203 2HG1 ILE 28 2HG1 ILE 28 1.512 10.873 -2.078 204 1HG2 ILE 28 1HG2 ILE 28 2.073 7.853 0.069 205 2HG2 ILE 28 2HG2 ILE 28 2.909 9.367 0.450 206 3HG2 ILE 28 3HG2 ILE 28 1.209 9.397 -0.040 207 1HD1 ILE 28 1HD1 ILE 28 4.495 11.167 -1.543 208 2HD1 ILE 28 2HD1 ILE 28 3.345 12.461 -1.888 209 3HD1 ILE 28 3HD1 ILE 28 3.185 11.528 -0.396 210 H ASN 29 H ASN 29 6.069 9.503 -2.622 211 HA ASN 29 HA ASN 29 8.210 9.322 -1.869 212 1HB ASN 29 1HB ASN 29 7.362 11.465 -1.015 213 2HB ASN 29 2HB ASN 29 6.966 10.678 0.526 214 2HD2 ASN 29 1HD2 ASN 29 8.551 11.802 1.824 215 1HD2 ASN 29 2HD2 ASN 29 10.276 11.573 1.578 216 H LYS 30 H LYS 30 7.803 6.975 -1.815 217 HA LYS 30 HA LYS 30 8.089 4.927 -1.060 218 1HB LYS 30 1HB LYS 30 10.202 6.458 0.016 219 2HB LYS 30 2HB LYS 30 9.659 5.460 1.348 220 1HG LYS 30 1HG LYS 30 11.430 4.347 0.212 221 2HG LYS 30 2HG LYS 30 9.965 3.419 -0.099 222 1HD LYS 30 1HD LYS 30 10.742 5.574 -2.059 223 2HD LYS 30 2HD LYS 30 11.747 4.127 -2.026 224 1HE LYS 30 1HE LYS 30 10.089 2.724 -2.754 225 2HE LYS 30 2HE LYS 30 8.770 3.746 -2.242 226 1HZ LYS 30 1HZ LYS 30 10.562 4.326 -4.508 227 2HZ LYS 30 2HZ LYS 30 9.054 3.759 -4.647 228 3HZ LYS 30 3HZ LYS 30 9.299 5.283 -4.037 229 H SER 31 H SER 31 6.050 6.773 0.878 230 HA SER 31 HA SER 31 5.611 4.448 2.678 231 1HB SER 31 1HB SER 31 5.848 6.893 3.503 232 2HB SER 31 2HB SER 31 4.227 7.130 2.817 233 HG SER 31 HG SER 31 5.047 5.190 4.749 234 H CYS 32 H CYS 32 3.235 3.897 2.985 235 HA CYS 32 HA CYS 32 2.038 3.562 0.301 236 1HB CYS 32 1HB CYS 32 1.134 2.279 2.887 237 2HB CYS 32 2HB CYS 32 0.741 1.811 1.241 238 H LYS 33 H LYS 33 -0.109 4.076 -0.107 239 HA LYS 33 HA LYS 33 -1.797 5.327 1.925 240 1HB LYS 33 1HB LYS 33 -0.842 6.698 -0.605 241 2HB LYS 33 2HB LYS 33 -2.505 6.948 -0.071 242 1HG LYS 33 1HG LYS 33 -0.091 7.403 1.742 243 2HG LYS 33 2HG LYS 33 -0.842 8.648 0.770 244 1HD LYS 33 1HD LYS 33 -2.498 8.988 2.202 245 2HD LYS 33 2HD LYS 33 -2.923 7.300 2.316 246 1HE LYS 33 1HE LYS 33 -0.624 8.579 3.869 247 2HE LYS 33 2HE LYS 33 -2.271 8.413 4.487 248 1HZ LYS 33 1HZ LYS 33 -2.066 6.016 4.257 249 2HZ LYS 33 2HZ LYS 33 -0.492 6.155 3.772 250 3HZ LYS 33 3HZ LYS 33 -0.961 6.626 5.279 251 H CYS 34 H CYS 34 -3.393 3.891 1.947 252 HA CYS 34 HA CYS 34 -3.910 2.377 -0.554 253 1HB CYS 34 1HB CYS 34 -4.100 1.562 2.336 254 2HB CYS 34 2HB CYS 34 -4.656 0.580 0.972 255 H TYR 35 H TYR 35 -5.672 2.968 -1.599 256 HA TYR 35 HA TYR 35 -7.686 4.597 -0.232 257 1HB TYR 35 1HB TYR 35 -7.555 3.487 -3.047 258 2HB TYR 35 2HB TYR 35 -8.773 4.592 -2.438 259 HD1 TYR 35 HD1 TYR 35 -5.214 4.303 -3.502 260 HD2 TYR 35 HD2 TYR 35 -8.297 6.955 -2.079 261 HE1 TYR 35 HE1 TYR 35 -3.782 6.265 -4.003 262 HE2 TYR 35 HE2 TYR 35 -6.871 8.894 -2.534 263 HH TYR 35 HH TYR 35 -4.799 9.609 -3.250 264 H GLY 36 H GLY 36 -9.161 3.596 0.972 265 1HA GLY 36 1HA GLY 36 -9.806 0.726 0.540 266 2HA GLY 36 2HA GLY 36 -10.224 1.692 1.966 267 H CYS 37 H CYS 37 -12.353 0.636 1.372 268 HA CYS 37 HA CYS 37 -13.757 2.020 -0.866 269 1HB CYS 37 1HB CYS 37 -15.301 -0.004 -0.530 270 2HB CYS 37 2HB CYS 37 -13.758 -0.216 -1.350 271 H THR 38 H THR 38 -14.313 0.781 2.474 272 HA THR 38 HA THR 38 -15.733 1.401 4.095 273 HB THR 38 HB THR 38 -16.418 4.004 2.724 274 HG1 THR 38 HG1 THR 38 -14.400 4.378 2.880 275 1HG2 THR 38 1HG2 THR 38 -16.267 3.082 5.628 276 2HG2 THR 38 2HG2 THR 38 -16.681 4.727 5.090 277 3HG2 THR 38 3HG2 THR 38 -17.751 3.368 4.706 No H/Q in entry = 277 Start of MODEL 10 1 H1 ASP 1 H1 ASP 1 9.451 3.282 13.691 2 H2 ASP 1 H2 ASP 1 9.636 2.383 15.053 3 H3 ASP 1 H3 ASP 1 10.856 2.461 13.953 4 HA ASP 1 HA ASP 1 9.675 1.210 12.365 5 1HB ASP 1 1HB ASP 1 10.804 -0.102 14.137 6 2HB ASP 1 2HB ASP 1 9.326 -0.080 15.111 7 H GLU 2 H GLU 2 7.774 2.063 11.431 8 HA GLU 2 HA GLU 2 5.237 1.844 12.926 9 1HB GLU 2 1HB GLU 2 5.025 4.279 13.109 10 2HB GLU 2 2HB GLU 2 6.445 3.710 13.955 11 1HG GLU 2 1HG GLU 2 7.479 4.267 11.393 12 2HG GLU 2 2HG GLU 2 6.248 5.504 11.597 13 H ALA 3 H ALA 3 6.590 1.536 9.951 14 HA ALA 3 HA ALA 3 4.219 2.494 8.507 15 1HB ALA 3 1HB ALA 3 5.835 4.395 8.456 16 2HB ALA 3 3HB ALA 3 5.605 3.685 6.853 17 3HB ALA 3 2HB ALA 3 7.075 3.313 7.779 18 H ILE 4 H ILE 4 4.653 1.773 6.037 19 HA ILE 4 HA ILE 4 5.978 -0.889 5.993 20 HB ILE 4 HB ILE 4 3.220 -0.199 4.908 21 1HG1 ILE 4 1HG1 ILE 4 3.981 -2.247 7.048 22 2HG1 ILE 4 2HG1 ILE 4 3.349 -0.646 7.417 23 1HG2 ILE 4 1HG2 ILE 4 4.523 -1.738 3.408 24 2HG2 ILE 4 2HG2 ILE 4 4.775 -2.832 4.780 25 3HG2 ILE 4 3HG2 ILE 4 3.143 -2.542 4.128 26 1HD1 ILE 4 1HD1 ILE 4 1.265 -1.128 6.221 27 2HD1 ILE 4 2HD1 ILE 4 1.823 -2.786 5.903 28 3HD1 ILE 4 3HD1 ILE 4 1.559 -2.238 7.567 29 H ARG 5 H ARG 5 7.756 0.132 5.062 30 HA ARG 5 HA ARG 5 7.549 1.851 2.754 31 1HB ARG 5 1HB ARG 5 9.455 1.520 4.547 32 2HB ARG 5 2HB ARG 5 10.053 0.281 3.449 33 1HG ARG 5 1HG ARG 5 10.409 1.867 1.689 34 2HG ARG 5 2HG ARG 5 9.383 3.091 2.456 35 1HD ARG 5 1HD ARG 5 12.056 2.146 3.527 36 2HD ARG 5 2HD ARG 5 11.772 3.654 2.652 37 HE ARG 5 HE ARG 5 10.209 4.329 4.469 38 1HH1 ARG 5 1HH1 ARG 5 13.049 2.373 5.159 39 2HH1 ARG 5 2HH1 ARG 5 12.830 2.350 6.880 40 1HH2 ARG 5 1HH2 ARG 5 9.934 4.442 6.753 41 2HH2 ARG 5 2HH2 ARG 5 11.143 3.783 7.817 42 H CYS 6 H CYS 6 7.563 1.318 0.587 43 HA CYS 6 HA CYS 6 6.971 -1.502 -0.022 44 1HB CYS 6 2HB CYS 6 5.479 0.543 -0.548 45 2HB CYS 6 1HB CYS 6 5.675 -0.743 -1.730 46 H THR 7 H THR 7 7.755 -2.342 -2.133 47 HA THR 7 HA THR 7 10.427 -1.289 -2.912 48 HB THR 7 HB THR 7 10.446 -3.505 -1.912 49 HG1 THR 7 HG1 THR 7 11.978 -3.144 -3.345 50 1HG2 THR 7 1HG2 THR 7 8.659 -4.403 -4.210 51 2HG2 THR 7 2HG2 THR 7 9.561 -5.472 -3.114 52 3HG2 THR 7 3HG2 THR 7 8.294 -4.434 -2.467 53 H GLY 8 H GLY 8 7.131 -1.584 -3.961 54 1HA GLY 8 1HA GLY 8 7.566 -0.003 -6.222 55 2HA GLY 8 2HA GLY 8 7.292 -1.683 -6.738 56 H THR 9 H THR 9 5.455 0.317 -7.312 57 HA THR 9 HA THR 9 3.472 1.019 -5.574 58 HB THR 9 HB THR 9 3.248 0.429 -8.542 59 HG1 THR 9 HG1 THR 9 4.351 2.198 -8.779 60 1HG2 THR 9 1HG2 THR 9 1.654 2.318 -6.751 61 2HG2 THR 9 2HG2 THR 9 1.567 2.240 -8.528 62 3HG2 THR 9 3HG2 THR 9 1.026 0.864 -7.556 63 H LYS 10 H LYS 10 3.284 -1.890 -7.706 64 HA LYS 10 HA LYS 10 0.766 -2.776 -6.691 65 1HB LYS 10 1HB LYS 10 3.084 -4.276 -7.954 66 2HB LYS 10 2HB LYS 10 1.543 -5.040 -7.553 67 1HG LYS 10 1HG LYS 10 0.339 -3.420 -8.946 68 2HG LYS 10 2HG LYS 10 1.863 -2.711 -9.493 69 1HD LYS 10 1HD LYS 10 1.173 -5.670 -9.845 70 2HD LYS 10 2HD LYS 10 0.684 -4.420 -10.977 71 1HE LYS 10 1HE LYS 10 2.627 -5.424 -11.854 72 2HE LYS 10 2HE LYS 10 3.040 -3.772 -11.358 73 1HZ LYS 10 1HZ LYS 10 3.671 -6.194 -9.752 74 2HZ LYS 10 2HZ LYS 10 4.718 -5.456 -10.776 75 3HZ LYS 10 3HZ LYS 10 4.185 -4.680 -9.450 76 H ASP 11 H ASP 11 3.970 -3.014 -5.208 77 HA ASP 11 HA ASP 11 3.558 -5.515 -3.948 78 1HB ASP 11 1HB ASP 11 5.733 -4.148 -4.280 79 2HB ASP 11 2HB ASP 11 5.279 -3.302 -2.789 80 H CYS 12 H CYS 12 2.706 -2.217 -2.976 81 HA CYS 12 HA CYS 12 1.884 -2.772 -0.301 82 1HB CYS 12 1HB CYS 12 0.825 -0.716 -2.287 83 2HB CYS 12 2HB CYS 12 0.595 -0.675 -0.536 84 H TYR 13 H TYR 13 0.353 -3.612 -3.348 85 HA TYR 13 HA TYR 13 -2.362 -3.352 -2.392 86 1HB TYR 13 1HB TYR 13 -1.211 -4.786 -4.818 87 2HB TYR 13 2HB TYR 13 -2.901 -4.737 -4.411 88 HD1 TYR 13 HD1 TYR 13 -0.222 -2.000 -4.537 89 HD2 TYR 13 HD2 TYR 13 -4.092 -3.385 -5.829 90 HE1 TYR 13 HE1 TYR 13 -0.583 0.125 -5.680 91 HE2 TYR 13 HE2 TYR 13 -4.474 -1.221 -6.979 92 HH TYR 13 HH TYR 13 -2.781 1.503 -6.392 93 H ILE 14 H ILE 14 0.158 -5.792 -1.952 94 HA ILE 14 HA ILE 14 -1.707 -7.915 -1.330 95 HB ILE 14 HB ILE 14 1.261 -7.619 -0.718 96 1HG1 ILE 14 2HG1 ILE 14 -0.331 -9.245 -2.742 97 2HG1 ILE 14 1HG1 ILE 14 1.293 -9.698 -2.235 98 1HG2 ILE 14 1HG2 ILE 14 -0.681 -9.875 -0.057 99 2HG2 ILE 14 2HG2 ILE 14 1.085 -10.033 -0.024 100 3HG2 ILE 14 3HG2 ILE 14 0.297 -8.934 1.089 101 1HD1 ILE 14 1HD1 ILE 14 2.162 -7.496 -3.004 102 2HD1 ILE 14 2HD1 ILE 14 1.496 -8.520 -4.283 103 3HD1 ILE 14 3HD1 ILE 14 0.559 -7.144 -3.698 104 HA PRO 15 HA PRO 15 -1.156 -6.853 3.240 105 1HB PRO 15 1HB PRO 15 0.001 -4.493 4.086 106 2HB PRO 15 2HB PRO 15 0.876 -6.040 3.876 107 1HG PRO 15 2HG PRO 15 2.136 -4.630 2.420 108 2HG PRO 15 1HG PRO 15 0.666 -3.734 1.915 109 1HD PRO 15 1HD PRO 15 0.878 -5.262 0.125 110 2HD PRO 15 2HD PRO 15 1.507 -6.553 1.189 111 H CYS 16 H CYS 16 -1.641 -3.921 1.133 112 HA CYS 16 HA CYS 16 -3.767 -2.901 2.762 113 1HB CYS 16 1HB CYS 16 -3.164 -2.546 -0.179 114 2HB CYS 16 2HB CYS 16 -4.439 -1.703 0.686 115 H ARG 17 H ARG 17 -3.928 -5.107 -0.218 116 HA ARG 17 HA ARG 17 -6.786 -5.266 0.024 117 1HB ARG 17 1HB ARG 17 -5.506 -5.874 -2.027 118 2HB ARG 17 2HB ARG 17 -4.892 -7.313 -1.194 119 1HG ARG 17 1HG ARG 17 -7.821 -7.142 -1.060 120 2HG ARG 17 2HG ARG 17 -7.281 -7.015 -2.714 121 1HD ARG 17 1HD ARG 17 -6.456 -9.240 -0.799 122 2HD ARG 17 2HD ARG 17 -7.812 -9.329 -1.932 123 HE ARG 17 HE ARG 17 -5.137 -8.648 -3.012 124 1HH1 ARG 17 1HH1 ARG 17 -7.716 -11.122 -2.764 125 2HH1 ARG 17 2HH1 ARG 17 -7.164 -11.976 -4.160 126 1HH2 ARG 17 1HH2 ARG 17 -4.359 -9.856 -4.698 127 2HH2 ARG 17 2HH2 ARG 17 -5.108 -11.333 -5.222 128 H TYR 18 H TYR 18 -4.138 -7.004 1.692 129 HA TYR 18 HA TYR 18 -5.904 -8.934 2.903 130 1HB TYR 18 1HB TYR 18 -3.095 -8.067 3.251 131 2HB TYR 18 2HB TYR 18 -3.866 -8.470 4.761 132 HD1 TYR 18 HD1 TYR 18 -5.341 -10.677 4.778 133 HD2 TYR 18 HD2 TYR 18 -2.001 -9.872 2.162 134 HE1 TYR 18 HE1 TYR 18 -4.915 -13.091 4.605 135 HE2 TYR 18 HE2 TYR 18 -1.582 -12.312 1.954 136 HH TYR 18 HH TYR 18 -3.321 -14.629 4.037 137 H ILE 19 H ILE 19 -4.434 -6.032 4.390 138 HA ILE 19 HA ILE 19 -6.114 -6.145 6.691 139 HB ILE 19 HB ILE 19 -4.206 -3.963 5.763 140 1HG1 ILE 19 1HG1 ILE 19 -3.488 -6.189 7.709 141 2HG1 ILE 19 2HG1 ILE 19 -3.225 -6.420 5.999 142 1HG2 ILE 19 1HG2 ILE 19 -5.730 -3.314 7.644 143 2HG2 ILE 19 2HG2 ILE 19 -5.189 -4.723 8.555 144 3HG2 ILE 19 3HG2 ILE 19 -4.053 -3.410 8.176 145 1HD1 ILE 19 1HD1 ILE 19 -1.796 -4.387 5.923 146 2HD1 ILE 19 2HD1 ILE 19 -1.930 -4.295 7.693 147 3HD1 ILE 19 3HD1 ILE 19 -1.176 -5.703 6.935 148 H THR 20 H THR 20 -5.897 -3.624 4.088 149 HA THR 20 HA THR 20 -8.250 -2.246 5.061 150 HB THR 20 HB THR 20 -6.215 -1.894 2.889 151 HG1 THR 20 HG1 THR 20 -6.052 -0.788 4.872 152 1HG2 THR 20 1HG2 THR 20 -8.314 -1.607 1.583 153 2HG2 THR 20 2HG2 THR 20 -8.831 -0.361 2.730 154 3HG2 THR 20 3HG2 THR 20 -7.364 -0.144 1.740 155 H GLY 21 H GLY 21 -7.803 -5.068 3.082 156 1HA GLY 21 1HA GLY 21 -9.551 -6.501 2.529 157 2HA GLY 21 2HA GLY 21 -10.729 -5.222 2.823 158 H CYS 22 H CYS 22 -10.175 -3.217 1.196 159 HA CYS 22 HA CYS 22 -10.360 -4.354 -1.539 160 1HB CYS 22 1HB CYS 22 -10.714 -1.527 -0.492 161 2HB CYS 22 2HB CYS 22 -10.828 -1.985 -2.195 162 H PHE 23 H PHE 23 -9.021 -3.755 -3.221 163 HA PHE 23 HA PHE 23 -6.241 -3.544 -2.650 164 1HB PHE 23 1HB PHE 23 -5.965 -4.018 -4.885 165 2HB PHE 23 2HB PHE 23 -7.501 -4.757 -4.551 166 HD1 PHE 23 HD1 PHE 23 -9.445 -2.411 -4.796 167 HD2 PHE 23 HD2 PHE 23 -5.958 -3.427 -7.151 168 HE1 PHE 23 HE1 PHE 23 -10.376 -1.204 -6.709 169 HE2 PHE 23 HE2 PHE 23 -6.898 -2.162 -9.042 170 HZ PHE 23 HZ PHE 23 -9.115 -1.059 -8.843 171 H ASN 24 H ASN 24 -8.192 -0.945 -2.390 172 HA ASN 24 HA ASN 24 -7.152 0.911 -4.323 173 1HB ASN 24 1HB ASN 24 -9.386 1.006 -3.087 174 2HB ASN 24 2HB ASN 24 -8.504 1.609 -1.681 175 2HD2 ASN 24 1HD2 ASN 24 -10.282 3.426 -2.317 176 1HD2 ASN 24 2HD2 ASN 24 -9.680 4.632 -3.431 177 H SER 25 H SER 25 -4.851 1.109 -4.278 178 HA SER 25 HA SER 25 -3.675 2.285 -1.821 179 1HB SER 25 1HB SER 25 -2.598 -0.244 -3.141 180 2HB SER 25 2HB SER 25 -2.029 0.507 -1.637 181 HG SER 25 HG SER 25 -4.603 0.107 -1.342 182 H ARG 26 H ARG 26 -1.333 2.816 -2.014 183 HA ARG 26 HA ARG 26 -0.165 3.233 -4.678 184 1HB ARG 26 1HB ARG 26 -1.872 5.099 -4.227 185 2HB ARG 26 2HB ARG 26 -0.946 5.524 -2.792 186 1HG ARG 26 1HG ARG 26 1.010 6.060 -4.340 187 2HG ARG 26 2HG ARG 26 -0.089 5.757 -5.703 188 1HD ARG 26 1HD ARG 26 -1.596 7.537 -4.791 189 2HD ARG 26 2HD ARG 26 -0.429 7.825 -3.494 190 HE ARG 26 HE ARG 26 0.341 8.068 -6.375 191 1HH1 ARG 26 1HH1 ARG 26 -0.131 9.737 -3.279 192 2HH1 ARG 26 2HH1 ARG 26 0.683 11.169 -3.735 193 1HH2 ARG 26 1HH2 ARG 26 1.192 10.064 -7.114 194 2HH2 ARG 26 2HH2 ARG 26 1.336 11.383 -6.027 195 H CYS 27 H CYS 27 2.093 4.108 -4.434 196 HA CYS 27 HA CYS 27 3.283 3.737 -1.707 197 1HB CYS 27 1HB CYS 27 4.581 3.726 -4.469 198 2HB CYS 27 2HB CYS 27 5.460 3.858 -2.960 199 H ILE 28 H ILE 28 3.697 5.812 -0.791 200 HA ILE 28 HA ILE 28 4.460 7.955 -2.665 201 HB ILE 28 HB ILE 28 2.142 8.370 -2.310 202 1HG1 ILE 28 1HG1 ILE 28 2.184 10.604 -1.311 203 2HG1 ILE 28 2HG1 ILE 28 3.779 10.293 -0.618 204 1HG2 ILE 28 1HG2 ILE 28 1.680 7.120 -0.278 205 2HG2 ILE 28 2HG2 ILE 28 2.625 8.267 0.687 206 3HG2 ILE 28 3HG2 ILE 28 1.126 8.784 -0.105 207 1HD1 ILE 28 1HD1 ILE 28 3.161 10.233 -3.613 208 2HD1 ILE 28 2HD1 ILE 28 3.766 11.653 -2.741 209 3HD1 ILE 28 3HD1 ILE 28 4.763 10.194 -2.854 210 H ASN 29 H ASN 29 6.288 8.870 -2.068 211 HA ASN 29 HA ASN 29 8.269 9.132 -1.074 212 1HB ASN 29 1HB ASN 29 6.984 10.523 0.557 213 2HB ASN 29 2HB ASN 29 6.876 9.108 1.618 214 2HD2 ASN 29 1HD2 ASN 29 8.715 8.603 2.870 215 1HD2 ASN 29 2HD2 ASN 29 10.261 9.418 2.742 216 H LYS 30 H LYS 30 7.651 6.718 -1.944 217 HA LYS 30 HA LYS 30 7.971 4.469 -1.878 218 1HB LYS 30 1HB LYS 30 10.305 5.430 -1.437 219 2HB LYS 30 2HB LYS 30 10.077 4.937 0.244 220 1HG LYS 30 1HG LYS 30 9.781 2.568 -0.538 221 2HG LYS 30 2HG LYS 30 10.020 3.103 -2.207 222 1HD LYS 30 1HD LYS 30 12.291 3.860 -1.638 223 2HD LYS 30 2HD LYS 30 12.019 3.451 0.072 224 1HE LYS 30 1HE LYS 30 11.618 1.050 -0.646 225 2HE LYS 30 2HE LYS 30 12.092 1.519 -2.281 226 1HZ LYS 30 1HZ LYS 30 14.230 2.284 -1.274 227 2HZ LYS 30 2HZ LYS 30 13.769 1.574 0.149 228 3HZ LYS 30 3HZ LYS 30 14.002 0.656 -1.173 229 H SER 31 H SER 31 6.288 5.879 0.583 230 HA SER 31 HA SER 31 6.249 3.534 2.358 231 1HB SER 31 1HB SER 31 6.397 6.140 2.917 232 2HB SER 31 2HB SER 31 4.637 6.048 2.745 233 HG SER 31 HG SER 31 5.736 5.682 4.852 234 H CYS 32 H CYS 32 4.516 2.098 2.304 235 HA CYS 32 HA CYS 32 2.589 2.232 0.169 236 1HB CYS 32 1HB CYS 32 2.733 0.614 2.759 237 2HB CYS 32 2HB CYS 32 1.419 0.465 1.609 238 H LYS 33 H LYS 33 0.565 2.973 0.146 239 HA LYS 33 HA LYS 33 -0.734 3.805 2.644 240 1HB LYS 33 1HB LYS 33 -0.270 5.505 0.139 241 2HB LYS 33 2HB LYS 33 -1.695 5.740 1.139 242 1HG LYS 33 2HG LYS 33 -0.017 7.353 1.770 243 2HG LYS 33 1HG LYS 33 1.191 6.087 2.068 244 1HD LYS 33 1HD LYS 33 -1.478 6.114 3.511 245 2HD LYS 33 2HD LYS 33 0.017 5.272 3.963 246 1HE LYS 33 1HE LYS 33 1.080 7.297 4.652 247 2HE LYS 33 2HE LYS 33 -0.222 8.289 3.961 248 1HZ LYS 33 1HZ LYS 33 -0.745 6.309 6.077 249 2HZ LYS 33 2HZ LYS 33 -0.386 7.880 6.426 250 3HZ LYS 33 3HZ LYS 33 -1.725 7.525 5.543 251 H CYS 34 H CYS 34 -2.681 3.011 2.769 252 HA CYS 34 HA CYS 34 -3.928 1.780 0.368 253 1HB CYS 34 2HB CYS 34 -5.202 0.492 1.895 254 2HB CYS 34 1HB CYS 34 -4.841 1.557 3.240 255 H TYR 35 H TYR 35 -6.339 2.322 0.262 256 HA TYR 35 HA TYR 35 -7.073 4.890 1.638 257 1HB TYR 35 1HB TYR 35 -7.780 3.940 -1.137 258 2HB TYR 35 2HB TYR 35 -8.480 5.351 -0.372 259 HD1 TYR 35 HD1 TYR 35 -7.056 7.370 0.088 260 HD2 TYR 35 HD2 TYR 35 -5.701 4.057 -2.312 261 HE1 TYR 35 HE1 TYR 35 -5.360 8.836 -0.972 262 HE2 TYR 35 HE2 TYR 35 -4.020 5.508 -3.391 263 HH TYR 35 HH TYR 35 -3.831 8.095 -3.826 264 H GLY 36 H GLY 36 -9.551 5.023 1.737 265 1HA GLY 36 1HA GLY 36 -10.642 2.525 2.767 266 2HA GLY 36 2HA GLY 36 -11.502 4.067 2.556 267 H CYS 37 H CYS 37 -12.446 1.419 1.842 268 HA CYS 37 HA CYS 37 -12.441 1.296 -1.069 269 1HB CYS 37 1HB CYS 37 -12.863 -0.596 0.743 270 2HB CYS 37 2HB CYS 37 -14.538 -0.060 0.602 271 H THR 38 H THR 38 -14.576 1.546 -2.286 272 HA THR 38 HA THR 38 -16.282 3.707 -1.202 273 HB THR 38 HB THR 38 -15.054 3.867 -3.977 274 HG1 THR 38 HG1 THR 38 -13.300 3.906 -2.648 275 1HG2 THR 38 1HG2 THR 38 -17.030 5.268 -3.493 276 2HG2 THR 38 2HG2 THR 38 -16.198 5.971 -2.088 277 3HG2 THR 38 3HG2 THR 38 -15.579 6.257 -3.732 No H/Q in entry = 277 Start of MODEL 11 1 H1 ASP 1 H1 ASP 1 5.164 6.693 13.633 2 H2 ASP 1 H2 ASP 1 3.651 6.069 13.453 3 H3 ASP 1 H3 ASP 1 4.221 6.453 14.960 4 HA ASP 1 HA ASP 1 5.876 4.810 14.860 5 1HB ASP 1 1HB ASP 1 3.058 3.835 14.412 6 2HB ASP 1 2HB ASP 1 4.394 2.737 14.769 7 H GLU 2 H GLU 2 5.519 2.327 13.324 8 HA GLU 2 HA GLU 2 7.778 2.970 11.881 9 1HB GLU 2 1HB GLU 2 6.034 0.486 11.984 10 2HB GLU 2 2HB GLU 2 7.510 0.522 11.029 11 1HG GLU 2 1HG GLU 2 7.942 -0.462 13.214 12 2HG GLU 2 2HG GLU 2 8.876 1.012 12.958 13 H ALA 3 H ALA 3 4.681 3.461 10.581 14 HA ALA 3 HA ALA 3 3.804 3.580 8.511 15 1HB ALA 3 3HB ALA 3 5.108 4.865 6.862 16 2HB ALA 3 2HB ALA 3 6.586 4.584 7.812 17 3HB ALA 3 1HB ALA 3 5.265 5.556 8.488 18 H ILE 4 H ILE 4 6.055 3.068 6.136 19 HA ILE 4 HA ILE 4 6.170 0.191 6.146 20 HB ILE 4 HB ILE 4 3.817 0.375 5.734 21 1HG1 ILE 4 1HG1 ILE 4 4.880 0.026 2.922 22 2HG1 ILE 4 2HG1 ILE 4 5.229 -1.141 4.204 23 1HG2 ILE 4 1HG2 ILE 4 4.537 2.571 3.787 24 2HG2 ILE 4 2HG2 ILE 4 2.958 1.748 3.739 25 3HG2 ILE 4 3HG2 ILE 4 3.431 2.636 5.173 26 1HD1 ILE 4 1HD1 ILE 4 2.847 -1.515 4.600 27 2HD1 ILE 4 2HD1 ILE 4 2.437 -0.388 3.301 28 3HD1 ILE 4 3HD1 ILE 4 3.312 -1.867 2.920 29 H ARG 5 H ARG 5 7.183 -0.540 3.996 30 HA ARG 5 HA ARG 5 8.493 1.691 2.538 31 1HB ARG 5 1HB ARG 5 10.048 0.751 4.193 32 2HB ARG 5 2HB ARG 5 9.833 -0.870 3.531 33 1HG ARG 5 1HG ARG 5 10.732 1.392 1.738 34 2HG ARG 5 2HG ARG 5 11.894 0.679 2.842 35 1HD ARG 5 1HD ARG 5 10.348 -0.991 0.806 36 2HD ARG 5 2HD ARG 5 11.849 -0.154 0.458 37 HE ARG 5 HE ARG 5 11.849 -1.959 2.796 38 1HH1 ARG 5 1HH1 ARG 5 12.827 -1.463 -0.615 39 2HH1 ARG 5 2HH1 ARG 5 14.249 -2.412 -0.440 40 1HH2 ARG 5 1HH2 ARG 5 13.386 -3.671 2.753 41 2HH2 ARG 5 2HH2 ARG 5 14.370 -3.906 1.334 42 H CYS 6 H CYS 6 8.102 1.606 0.395 43 HA CYS 6 HA CYS 6 7.913 -1.054 -0.899 44 1HB CYS 6 1HB CYS 6 6.319 -0.104 -2.510 45 2HB CYS 6 2HB CYS 6 5.646 -0.369 -0.914 46 H THR 7 H THR 7 9.301 -1.210 -2.562 47 HA THR 7 HA THR 7 10.776 1.232 -3.407 48 HB THR 7 HB THR 7 11.314 -1.681 -4.097 49 HG1 THR 7 HG1 THR 7 12.408 -0.079 -2.026 50 1HG2 THR 7 1HG2 THR 7 13.084 0.808 -4.140 51 2HG2 THR 7 2HG2 THR 7 13.585 -0.845 -4.563 52 3HG2 THR 7 3HG2 THR 7 12.388 -0.008 -5.556 53 H GLY 8 H GLY 8 9.094 -1.695 -4.691 54 1HA GLY 8 1HA GLY 8 8.470 -0.298 -7.228 55 2HA GLY 8 2HA GLY 8 8.229 -2.014 -6.848 56 H THR 9 H THR 9 6.338 0.244 -7.708 57 HA THR 9 HA THR 9 4.770 1.051 -5.558 58 HB THR 9 HB THR 9 4.296 0.797 -8.538 59 HG1 THR 9 HG1 THR 9 5.171 2.776 -8.475 60 1HG2 THR 9 1HG2 THR 9 2.530 2.212 -6.494 61 2HG2 THR 9 2HG2 THR 9 2.491 2.492 -8.255 62 3HG2 THR 9 3HG2 THR 9 2.044 0.911 -7.602 63 H LYS 10 H LYS 10 4.559 -2.110 -7.198 64 HA LYS 10 HA LYS 10 2.015 -2.569 -5.762 65 1HB LYS 10 1HB LYS 10 1.538 -4.397 -7.046 66 2HB LYS 10 2HB LYS 10 2.000 -3.118 -8.153 67 1HG LYS 10 1HG LYS 10 4.101 -4.191 -8.663 68 2HG LYS 10 2HG LYS 10 3.937 -5.308 -7.290 69 1HD LYS 10 1HD LYS 10 1.855 -6.235 -8.356 70 2HD LYS 10 2HD LYS 10 2.218 -5.273 -9.805 71 1HE LYS 10 1HE LYS 10 4.294 -6.455 -10.158 72 2HE LYS 10 2HE LYS 10 4.225 -7.188 -8.547 73 1HZ LYS 10 1HZ LYS 10 2.339 -7.780 -10.733 74 2HZ LYS 10 2HZ LYS 10 3.606 -8.722 -10.231 75 3HZ LYS 10 3HZ LYS 10 2.338 -8.446 -9.214 76 H ASP 11 H ASP 11 5.086 -2.624 -4.766 77 HA ASP 11 HA ASP 11 5.662 -5.215 -3.912 78 1HB ASP 11 1HB ASP 11 6.255 -2.537 -2.589 79 2HB ASP 11 2HB ASP 11 6.796 -4.063 -1.905 80 H CYS 12 H CYS 12 3.866 -2.733 -2.095 81 HA CYS 12 HA CYS 12 3.039 -4.674 -0.078 82 1HB CYS 12 1HB CYS 12 1.998 -2.634 0.925 83 2HB CYS 12 2HB CYS 12 3.724 -2.506 0.608 84 H TYR 13 H TYR 13 1.769 -4.289 -3.173 85 HA TYR 13 HA TYR 13 -0.960 -3.606 -2.647 86 1HB TYR 13 1HB TYR 13 0.470 -4.917 -4.925 87 2HB TYR 13 2HB TYR 13 -1.230 -5.224 -4.782 88 HD1 TYR 13 HD1 TYR 13 0.448 -1.923 -4.004 89 HD2 TYR 13 HD2 TYR 13 -2.126 -4.197 -6.635 90 HE1 TYR 13 HE1 TYR 13 -0.038 0.112 -5.318 91 HE2 TYR 13 HE2 TYR 13 -2.661 -2.145 -7.894 92 HH TYR 13 HH TYR 13 -2.445 0.263 -7.873 93 H ILE 14 H ILE 14 0.733 -6.541 -1.913 94 HA ILE 14 HA ILE 14 -1.663 -8.182 -1.709 95 HB ILE 14 HB ILE 14 1.202 -8.588 -0.775 96 1HG1 ILE 14 1HG1 ILE 14 0.911 -8.644 -3.194 97 2HG1 ILE 14 2HG1 ILE 14 1.434 -10.164 -2.506 98 1HG2 ILE 14 1HG2 ILE 14 -1.175 -10.462 -0.510 99 2HG2 ILE 14 2HG2 ILE 14 0.524 -10.968 -0.354 100 3HG2 ILE 14 3HG2 ILE 14 -0.170 -9.825 0.797 101 1HD1 ILE 14 1HD1 ILE 14 -1.413 -9.548 -3.413 102 2HD1 ILE 14 2HD1 ILE 14 -0.207 -10.487 -4.304 103 3HD1 ILE 14 3HD1 ILE 14 -0.846 -11.104 -2.772 104 HA PRO 15 HA PRO 15 -1.591 -7.461 2.910 105 1HB PRO 15 1HB PRO 15 0.164 -5.821 4.227 106 2HB PRO 15 2HB PRO 15 0.468 -7.551 3.891 107 1HG PRO 15 2HG PRO 15 2.359 -6.536 2.847 108 2HG PRO 15 1HG PRO 15 1.381 -5.155 2.255 109 1HD PRO 15 1HD PRO 15 1.410 -6.544 0.335 110 2HD PRO 15 2HD PRO 15 1.345 -8.030 1.327 111 H CYS 16 H CYS 16 -0.480 -4.435 1.288 112 HA CYS 16 HA CYS 16 -1.924 -2.581 2.808 113 1HB CYS 16 1HB CYS 16 -0.163 -2.139 1.122 114 2HB CYS 16 2HB CYS 16 -1.292 -2.538 -0.172 115 H ARG 17 H ARG 17 -2.937 -4.413 -0.106 116 HA ARG 17 HA ARG 17 -5.678 -3.440 -0.028 117 1HB ARG 17 1HB ARG 17 -4.619 -4.202 -2.086 118 2HB ARG 17 2HB ARG 17 -4.481 -5.838 -1.422 119 1HG ARG 17 1HG ARG 17 -7.197 -4.542 -1.478 120 2HG ARG 17 2HG ARG 17 -6.508 -5.062 -3.005 121 1HD ARG 17 1HD ARG 17 -6.305 -7.160 -0.912 122 2HD ARG 17 2HD ARG 17 -7.953 -6.673 -1.281 123 HE ARG 17 HE ARG 17 -7.857 -7.627 -3.284 124 1HH1 ARG 17 1HH1 ARG 17 -4.461 -7.525 -2.132 125 2HH1 ARG 17 2HH1 ARG 17 -3.826 -8.099 -3.635 126 1HH2 ARG 17 1HH2 ARG 17 -6.897 -8.340 -5.274 127 2HH2 ARG 17 2HH2 ARG 17 -5.336 -9.104 -5.172 128 H TYR 18 H TYR 18 -3.989 -6.434 1.131 129 HA TYR 18 HA TYR 18 -6.287 -7.829 1.919 130 1HB TYR 18 1HB TYR 18 -3.866 -8.623 1.850 131 2HB TYR 18 2HB TYR 18 -3.641 -7.832 3.408 132 HD1 TYR 18 HD1 TYR 18 -5.089 -8.624 5.401 133 HD2 TYR 18 HD2 TYR 18 -4.761 -10.791 1.681 134 HE1 TYR 18 HE1 TYR 18 -5.969 -10.646 6.502 135 HE2 TYR 18 HE2 TYR 18 -5.609 -12.834 2.791 136 HH TYR 18 HH TYR 18 -6.757 -13.592 4.723 137 H ILE 19 H ILE 19 -4.522 -5.257 3.714 138 HA ILE 19 HA ILE 19 -6.314 -5.462 6.007 139 HB ILE 19 HB ILE 19 -4.046 -3.585 5.243 140 1HG1 ILE 19 1HG1 ILE 19 -3.304 -4.400 7.605 141 2HG1 ILE 19 2HG1 ILE 19 -4.560 -5.621 7.466 142 1HG2 ILE 19 1HG2 ILE 19 -5.930 -3.283 7.625 143 2HG2 ILE 19 2HG2 ILE 19 -4.377 -2.445 7.444 144 3HG2 ILE 19 3HG2 ILE 19 -5.672 -2.114 6.310 145 1HD1 ILE 19 1HD1 ILE 19 -2.146 -5.265 5.642 146 2HD1 ILE 19 2HD1 ILE 19 -2.315 -6.474 6.911 147 3HD1 ILE 19 3HD1 ILE 19 -3.363 -6.570 5.496 148 H THR 20 H THR 20 -5.879 -2.937 3.391 149 HA THR 20 HA THR 20 -8.170 -1.582 4.392 150 HB THR 20 HB THR 20 -6.034 -0.747 3.221 151 HG1 THR 20 HG1 THR 20 -8.577 0.298 3.269 152 1HG2 THR 20 1HG2 THR 20 -6.371 -1.804 1.024 153 2HG2 THR 20 2HG2 THR 20 -7.853 -0.901 0.802 154 3HG2 THR 20 3HG2 THR 20 -6.308 -0.039 0.891 155 H GLY 21 H GLY 21 -8.262 -4.355 2.522 156 1HA GLY 21 1HA GLY 21 -10.127 -5.472 1.821 157 2HA GLY 21 2HA GLY 21 -11.127 -4.034 2.088 158 H CYS 22 H CYS 22 -11.042 -2.329 0.484 159 HA CYS 22 HA CYS 22 -11.152 -3.386 -2.185 160 1HB CYS 22 1HB CYS 22 -11.253 -0.519 -1.196 161 2HB CYS 22 2HB CYS 22 -11.542 -1.031 -2.848 162 H PHE 23 H PHE 23 -9.869 -2.941 -3.953 163 HA PHE 23 HA PHE 23 -7.059 -3.087 -3.616 164 1HB PHE 23 1HB PHE 23 -7.111 -3.261 -6.106 165 2HB PHE 23 2HB PHE 23 -8.217 -4.347 -5.294 166 HD1 PHE 23 HD1 PHE 23 -10.694 -4.048 -5.461 167 HD2 PHE 23 HD2 PHE 23 -7.956 -1.372 -7.451 168 HE1 PHE 23 HE1 PHE 23 -12.589 -2.959 -6.612 169 HE2 PHE 23 HE2 PHE 23 -9.862 -0.286 -8.606 170 HZ PHE 23 HZ PHE 23 -12.179 -1.048 -8.169 171 H ASN 24 H ASN 24 -8.356 -0.410 -2.895 172 HA ASN 24 HA ASN 24 -7.155 1.516 -4.771 173 1HB ASN 24 1HB ASN 24 -9.439 1.760 -3.869 174 2HB ASN 24 2HB ASN 24 -8.783 1.896 -2.248 175 2HD2 ASN 24 1HD2 ASN 24 -10.179 3.898 -2.543 176 1HD2 ASN 24 2HD2 ASN 24 -9.392 5.334 -3.183 177 H SER 25 H SER 25 -4.891 1.464 -4.524 178 HA SER 25 HA SER 25 -3.796 2.225 -1.901 179 1HB SER 25 2HB SER 25 -2.182 0.437 -1.923 180 2HB SER 25 1HB SER 25 -2.679 -0.088 -3.532 181 HG SER 25 HG SER 25 -4.536 -0.081 -1.399 182 H ARG 26 H ARG 26 -1.610 3.213 -2.115 183 HA ARG 26 HA ARG 26 -0.453 3.383 -4.812 184 1HB ARG 26 1HB ARG 26 -2.144 5.191 -4.806 185 2HB ARG 26 2HB ARG 26 -1.478 5.838 -3.303 186 1HG ARG 26 1HG ARG 26 0.557 6.537 -4.438 187 2HG ARG 26 2HG ARG 26 0.083 5.663 -5.907 188 1HD ARG 26 1HD ARG 26 -0.333 8.067 -6.191 189 2HD ARG 26 2HD ARG 26 -1.830 7.155 -6.226 190 HE ARG 26 HE ARG 26 -2.518 8.058 -4.252 191 1HH1 ARG 26 1HH1 ARG 26 0.790 9.207 -4.951 192 2HH1 ARG 26 2HH1 ARG 26 0.689 10.583 -3.909 193 1HH2 ARG 26 1HH2 ARG 26 -2.542 9.743 -2.660 194 2HH2 ARG 26 2HH2 ARG 26 -1.250 10.866 -2.530 195 H CYS 27 H CYS 27 1.799 4.085 -4.755 196 HA CYS 27 HA CYS 27 2.976 4.153 -2.023 197 1HB CYS 27 1HB CYS 27 4.041 3.345 -4.725 198 2HB CYS 27 2HB CYS 27 5.138 3.932 -3.477 199 H ILE 28 H ILE 28 3.741 6.078 -1.279 200 HA ILE 28 HA ILE 28 4.689 8.080 -3.156 201 HB ILE 28 HB ILE 28 2.415 8.764 -2.970 202 1HG1 ILE 28 2HG1 ILE 28 4.057 10.559 -1.150 203 2HG1 ILE 28 1HG1 ILE 28 2.543 10.993 -1.941 204 1HG2 ILE 28 1HG2 ILE 28 2.669 8.630 0.053 205 2HG2 ILE 28 2HG2 ILE 28 1.294 9.324 -0.833 206 3HG2 ILE 28 3HG2 ILE 28 1.666 7.609 -1.004 207 1HD1 ILE 28 1HD1 ILE 28 3.649 10.552 -4.168 208 2HD1 ILE 28 2HD1 ILE 28 4.305 11.922 -3.248 209 3HD1 ILE 28 3HD1 ILE 28 5.190 10.388 -3.304 210 H ASN 29 H ASN 29 6.394 9.189 -2.276 211 HA ASN 29 HA ASN 29 8.320 9.292 -1.093 212 1HB ASN 29 1HB ASN 29 6.266 9.959 1.037 213 2HB ASN 29 2HB ASN 29 8.002 10.021 1.348 214 2HD2 ASN 29 1HD2 ASN 29 5.351 11.786 -0.020 215 1HD2 ASN 29 2HD2 ASN 29 6.329 13.003 -0.863 216 H LYS 30 H LYS 30 8.180 6.901 -1.716 217 HA LYS 30 HA LYS 30 8.670 4.747 -1.353 218 1HB LYS 30 1HB LYS 30 10.679 5.723 -0.771 219 2HB LYS 30 2HB LYS 30 10.164 6.211 0.816 220 1HG LYS 30 1HG LYS 30 10.291 3.247 0.378 221 2HG LYS 30 2HG LYS 30 11.800 4.117 0.250 222 1HD LYS 30 1HD LYS 30 11.472 3.367 2.564 223 2HD LYS 30 2HD LYS 30 11.582 5.113 2.426 224 1HE LYS 30 1HE LYS 30 9.101 5.295 2.567 225 2HE LYS 30 2HE LYS 30 8.986 3.541 2.746 226 1HZ LYS 30 1HZ LYS 30 10.256 3.735 4.784 227 2HZ LYS 30 2HZ LYS 30 10.348 5.364 4.606 228 3HZ LYS 30 3HZ LYS 30 8.890 4.662 4.851 229 H SER 31 H SER 31 6.169 5.952 0.385 230 HA SER 31 HA SER 31 5.873 3.482 2.021 231 1HB SER 31 1HB SER 31 4.850 6.282 2.602 232 2HB SER 31 2HB SER 31 4.842 4.878 3.688 233 HG SER 31 HG SER 31 7.058 6.351 2.691 234 H CYS 32 H CYS 32 3.759 2.588 2.168 235 HA CYS 32 HA CYS 32 2.122 3.110 -0.203 236 1HB CYS 32 1HB CYS 32 1.660 1.013 1.923 237 2HB CYS 32 2HB CYS 32 1.019 1.080 0.290 238 H LYS 33 H LYS 33 0.153 3.914 -0.177 239 HA LYS 33 HA LYS 33 -1.212 4.650 2.358 240 1HB LYS 33 1HB LYS 33 -1.395 5.950 -0.410 241 2HB LYS 33 2HB LYS 33 -2.326 6.414 1.016 242 1HG LYS 33 1HG LYS 33 0.693 6.609 0.700 243 2HG LYS 33 2HG LYS 33 -0.442 7.945 0.565 244 1HD LYS 33 1HD LYS 33 -0.332 8.324 2.766 245 2HD LYS 33 2HD LYS 33 -0.900 6.694 3.126 246 1HE LYS 33 1HE LYS 33 1.481 5.866 2.800 247 2HE LYS 33 2HE LYS 33 1.984 7.557 2.614 248 1HZ LYS 33 1HZ LYS 33 1.043 7.946 4.837 249 2HZ LYS 33 2HZ LYS 33 0.745 6.347 5.011 250 3HZ LYS 33 3HZ LYS 33 2.298 6.916 4.882 251 H CYS 34 H CYS 34 -2.681 3.155 2.689 252 HA CYS 34 HA CYS 34 -3.872 1.615 0.454 253 1HB CYS 34 2HB CYS 34 -4.371 -0.012 2.135 254 2HB CYS 34 1HB CYS 34 -4.064 1.120 3.454 255 H TYR 35 H TYR 35 -5.600 2.864 -0.293 256 HA TYR 35 HA TYR 35 -6.876 4.809 1.541 257 1HB TYR 35 1HB TYR 35 -7.121 4.111 -1.388 258 2HB TYR 35 2HB TYR 35 -8.310 5.123 -0.587 259 HD1 TYR 35 HD1 TYR 35 -4.635 4.903 -1.406 260 HD2 TYR 35 HD2 TYR 35 -7.983 7.434 -0.366 261 HE1 TYR 35 HE1 TYR 35 -3.289 6.907 -1.942 262 HE2 TYR 35 HE2 TYR 35 -6.656 9.425 -0.913 263 HH TYR 35 HH TYR 35 -4.728 10.208 -1.859 264 H GLY 36 H GLY 36 -7.639 1.910 -0.407 265 1HA GLY 36 1HA GLY 36 -9.339 0.389 -0.313 266 2HA GLY 36 2HA GLY 36 -9.500 0.766 1.415 267 H CYS 37 H CYS 37 -11.633 0.787 1.483 268 HA CYS 37 HA CYS 37 -13.135 3.029 0.259 269 1HB CYS 37 1HB CYS 37 -14.952 1.328 -0.231 270 2HB CYS 37 2HB CYS 37 -13.509 1.184 -1.228 271 H THR 38 H THR 38 -12.281 1.153 3.036 272 HA THR 38 HA THR 38 -14.087 2.281 4.866 273 HB THR 38 HB THR 38 -14.425 -0.528 3.735 274 HG1 THR 38 HG1 THR 38 -15.697 1.496 3.271 275 1HG2 THR 38 1HG2 THR 38 -15.331 0.318 6.511 276 2HG2 THR 38 2HG2 THR 38 -15.865 -1.141 5.643 277 3HG2 THR 38 3HG2 THR 38 -14.167 -0.957 6.105 No H/Q in entry = 277 Start of MODEL 12 1 H1 ASP 1 H1 ASP 1 5.448 -1.568 13.388 2 H2 ASP 1 H2 ASP 1 6.801 -2.517 13.477 3 H3 ASP 1 H3 ASP 1 6.583 -1.246 14.513 4 HA ASP 1 HA ASP 1 8.177 -0.562 12.954 5 1HB ASP 1 1HB ASP 1 6.077 -1.545 11.017 6 2HB ASP 1 2HB ASP 1 7.255 -0.304 10.546 7 H GLU 2 H GLU 2 8.184 1.675 12.163 8 HA GLU 2 HA GLU 2 6.122 3.319 13.308 9 1HB GLU 2 1HB GLU 2 8.346 3.998 11.342 10 2HB GLU 2 2HB GLU 2 7.287 5.169 12.120 11 1HG GLU 2 1HG GLU 2 8.112 4.379 14.361 12 2HG GLU 2 2HG GLU 2 9.280 3.344 13.519 13 H ALA 3 H ALA 3 6.934 2.378 9.942 14 HA ALA 3 HA ALA 3 4.161 2.960 9.062 15 1HB ALA 3 2HB ALA 3 5.082 4.051 7.021 16 2HB ALA 3 3HB ALA 3 5.477 4.954 8.485 17 3HB ALA 3 1HB ALA 3 6.706 3.930 7.708 18 H ILE 4 H ILE 4 4.094 2.118 6.590 19 HA ILE 4 HA ILE 4 5.471 -0.510 6.460 20 HB ILE 4 HB ILE 4 3.214 -1.004 6.904 21 1HG1 ILE 4 1HG1 ILE 4 3.757 -1.248 3.922 22 2HG1 ILE 4 2HG1 ILE 4 4.303 -2.335 5.193 23 1HG2 ILE 4 1HG2 ILE 4 2.121 1.142 6.502 24 2HG2 ILE 4 2HG2 ILE 4 2.292 0.919 4.746 25 3HG2 ILE 4 3HG2 ILE 4 1.268 -0.161 5.707 26 1HD1 ILE 4 1HD1 ILE 4 1.866 -2.847 5.685 27 2HD1 ILE 4 2HD1 ILE 4 1.448 -1.910 4.230 28 3HD1 ILE 4 3HD1 ILE 4 2.449 -3.358 4.085 29 H ARG 5 H ARG 5 7.164 -0.131 5.165 30 HA ARG 5 HA ARG 5 6.842 1.666 2.845 31 1HB ARG 5 1HB ARG 5 9.183 0.197 4.045 32 2HB ARG 5 2HB ARG 5 9.237 0.660 2.355 33 1HG ARG 5 1HG ARG 5 8.697 3.025 3.026 34 2HG ARG 5 2HG ARG 5 8.858 2.532 4.714 35 1HD ARG 5 1HD ARG 5 11.106 1.823 2.828 36 2HD ARG 5 2HD ARG 5 10.893 3.519 3.197 37 HE ARG 5 HE ARG 5 11.401 1.333 5.164 38 1HH1 ARG 5 1HH1 ARG 5 11.488 4.820 4.383 39 2HH1 ARG 5 2HH1 ARG 5 12.615 5.201 5.645 40 1HH2 ARG 5 1HH2 ARG 5 12.463 1.937 7.095 41 2HH2 ARG 5 2HH2 ARG 5 12.911 3.582 7.395 42 H CYS 6 H CYS 6 7.544 0.854 0.711 43 HA CYS 6 HA CYS 6 6.988 -1.995 0.149 44 1HB CYS 6 1HB CYS 6 5.814 -1.032 -1.971 45 2HB CYS 6 2HB CYS 6 4.934 -1.205 -0.477 46 H THR 7 H THR 7 8.332 -2.761 -1.554 47 HA THR 7 HA THR 7 10.412 -1.007 -2.447 48 HB THR 7 HB THR 7 10.523 -3.148 -4.165 49 HG1 THR 7 HG1 THR 7 8.983 -4.477 -3.427 50 1HG2 THR 7 1HG2 THR 7 12.273 -2.319 -2.569 51 2HG2 THR 7 2HG2 THR 7 11.408 -3.112 -1.237 52 3HG2 THR 7 3HG2 THR 7 12.114 -4.082 -2.549 53 H GLY 8 H GLY 8 7.168 -1.710 -3.776 54 1HA GLY 8 1HA GLY 8 7.460 0.492 -5.649 55 2HA GLY 8 2HA GLY 8 7.307 -1.113 -6.385 56 H THR 9 H THR 9 5.287 0.629 -6.958 57 HA THR 9 HA THR 9 3.236 0.847 -5.076 58 HB THR 9 HB THR 9 3.472 2.220 -7.064 59 HG1 THR 9 HG1 THR 9 0.892 1.092 -7.077 60 1HG2 THR 9 1HG2 THR 9 3.831 0.459 -8.814 61 2HG2 THR 9 2HG2 THR 9 2.104 0.048 -8.696 62 3HG2 THR 9 3HG2 THR 9 2.598 1.666 -9.208 63 H LYS 10 H LYS 10 3.389 -1.661 -7.692 64 HA LYS 10 HA LYS 10 0.966 -2.878 -6.694 65 1HB LYS 10 1HB LYS 10 1.479 -2.877 -9.067 66 2HB LYS 10 2HB LYS 10 2.969 -3.793 -8.794 67 1HG LYS 10 1HG LYS 10 1.811 -5.767 -8.222 68 2HG LYS 10 2HG LYS 10 0.285 -4.929 -7.948 69 1HD LYS 10 1HD LYS 10 -0.035 -4.508 -10.293 70 2HD LYS 10 2HD LYS 10 1.611 -5.049 -10.674 71 1HE LYS 10 1HE LYS 10 1.072 -7.327 -9.916 72 2HE LYS 10 2HE LYS 10 -0.576 -6.827 -9.498 73 1HZ LYS 10 1HZ LYS 10 0.543 -6.600 -12.220 74 2HZ LYS 10 2HZ LYS 10 -0.322 -7.902 -11.710 75 3HZ LYS 10 3HZ LYS 10 -1.033 -6.414 -11.782 76 H ASP 11 H ASP 11 4.306 -3.190 -6.013 77 HA ASP 11 HA ASP 11 4.524 -5.682 -4.786 78 1HB ASP 11 1HB ASP 11 6.144 -3.559 -5.148 79 2HB ASP 11 2HB ASP 11 5.717 -3.247 -3.465 80 H CYS 12 H CYS 12 3.285 -2.576 -3.394 81 HA CYS 12 HA CYS 12 2.561 -3.951 -0.917 82 1HB CYS 12 1HB CYS 12 3.144 -1.350 -1.423 83 2HB CYS 12 2HB CYS 12 1.390 -1.276 -1.343 84 H TYR 13 H TYR 13 1.030 -4.005 -3.949 85 HA TYR 13 HA TYR 13 -1.691 -3.772 -2.953 86 1HB TYR 13 1HB TYR 13 -0.783 -5.124 -5.484 87 2HB TYR 13 2HB TYR 13 -2.432 -4.783 -5.022 88 HD1 TYR 13 HD1 TYR 13 -0.999 -1.811 -3.968 89 HD2 TYR 13 HD2 TYR 13 -1.746 -4.029 -7.599 90 HE1 TYR 13 HE1 TYR 13 -0.731 0.247 -5.274 91 HE2 TYR 13 HE2 TYR 13 -1.441 -1.954 -8.922 92 HH TYR 13 HH TYR 13 -1.618 0.893 -8.061 93 H ILE 14 H ILE 14 0.718 -6.043 -2.224 94 HA ILE 14 HA ILE 14 -1.249 -8.214 -1.867 95 HB ILE 14 HB ILE 14 1.708 -8.179 -1.164 96 1HG1 ILE 14 2HG1 ILE 14 0.083 -9.274 -3.449 97 2HG1 ILE 14 1HG1 ILE 14 1.442 -10.220 -2.850 98 1HG2 ILE 14 1HG2 ILE 14 -0.418 -10.348 -0.846 99 2HG2 ILE 14 2HG2 ILE 14 1.322 -10.554 -0.587 100 3HG2 ILE 14 3HG2 ILE 14 0.403 -9.502 0.484 101 1HD1 ILE 14 1HD1 ILE 14 2.976 -8.335 -3.223 102 2HD1 ILE 14 2HD1 ILE 14 2.152 -8.860 -4.701 103 3HD1 ILE 14 3HD1 ILE 14 1.633 -7.376 -3.887 104 HA PRO 15 HA PRO 15 -0.814 -7.152 2.684 105 1HB PRO 15 1HB PRO 15 0.752 -5.111 3.664 106 2HB PRO 15 2HB PRO 15 1.307 -6.793 3.432 107 1HG PRO 15 1HG PRO 15 1.620 -4.456 1.528 108 2HG PRO 15 2HG PRO 15 2.891 -5.589 2.069 109 1HD PRO 15 1HD PRO 15 1.675 -5.969 -0.288 110 2HD PRO 15 2HD PRO 15 1.969 -7.359 0.801 111 H CYS 16 H CYS 16 -0.315 -3.877 1.109 112 HA CYS 16 HA CYS 16 -2.115 -2.572 2.842 113 1HB CYS 16 1HB CYS 16 -0.570 -1.852 0.544 114 2HB CYS 16 2HB CYS 16 -2.225 -1.412 0.175 115 H ARG 17 H ARG 17 -2.674 -4.070 -0.362 116 HA ARG 17 HA ARG 17 -5.491 -3.423 -0.341 117 1HB ARG 17 1HB ARG 17 -3.941 -3.999 -2.361 118 2HB ARG 17 2HB ARG 17 -4.347 -5.671 -1.947 119 1HG ARG 17 1HG ARG 17 -6.767 -4.045 -2.073 120 2HG ARG 17 2HG ARG 17 -5.775 -3.864 -3.522 121 1HD ARG 17 2HD ARG 17 -5.702 -6.353 -3.749 122 2HD ARG 17 1HD ARG 17 -7.306 -5.623 -3.962 123 HE ARG 17 HE ARG 17 -7.305 -6.252 -1.318 124 1HH1 ARG 17 1HH1 ARG 17 -6.808 -8.066 -4.333 125 2HH1 ARG 17 2HH1 ARG 17 -7.367 -9.577 -3.712 126 1HH2 ARG 17 1HH2 ARG 17 -8.318 -8.200 -0.524 127 2HH2 ARG 17 2HH2 ARG 17 -8.362 -9.606 -1.487 128 H TYR 18 H TYR 18 -3.600 -6.272 0.878 129 HA TYR 18 HA TYR 18 -5.957 -7.865 1.304 130 1HB TYR 18 1HB TYR 18 -3.698 -8.821 1.276 131 2HB TYR 18 2HB TYR 18 -3.269 -7.903 2.716 132 HD1 TYR 18 HD1 TYR 18 -4.260 -8.499 4.936 133 HD2 TYR 18 HD2 TYR 18 -5.124 -10.813 1.383 134 HE1 TYR 18 HE1 TYR 18 -5.199 -10.284 6.328 135 HE2 TYR 18 HE2 TYR 18 -6.064 -12.615 2.791 136 HH TYR 18 HH TYR 18 -6.285 -13.417 5.058 137 H ILE 19 H ILE 19 -4.168 -5.499 3.389 138 HA ILE 19 HA ILE 19 -5.905 -5.864 5.640 139 HB ILE 19 HB ILE 19 -3.808 -3.800 4.891 140 1HG1 ILE 19 1HG1 ILE 19 -2.978 -4.594 7.236 141 2HG1 ILE 19 2HG1 ILE 19 -4.177 -5.871 7.116 142 1HG2 ILE 19 1HG2 ILE 19 -5.626 -3.619 7.334 143 2HG2 ILE 19 2HG2 ILE 19 -4.143 -2.674 7.074 144 3HG2 ILE 19 3HG2 ILE 19 -5.520 -2.434 6.012 145 1HD1 ILE 19 1HD1 ILE 19 -2.982 -6.670 5.026 146 2HD1 ILE 19 2HD1 ILE 19 -1.771 -5.393 5.310 147 3HD1 ILE 19 3HD1 ILE 19 -1.990 -6.703 6.480 148 H THR 20 H THR 20 -5.826 -3.174 3.183 149 HA THR 20 HA THR 20 -8.214 -2.076 4.302 150 HB THR 20 HB THR 20 -6.190 -1.076 2.930 151 HG1 THR 20 HG1 THR 20 -7.890 0.102 3.932 152 1HG2 THR 20 1HG2 THR 20 -6.814 -2.208 0.760 153 2HG2 THR 20 2HG2 THR 20 -8.283 -1.205 0.729 154 3HG2 THR 20 3HG2 THR 20 -6.695 -0.439 0.659 155 H GLY 21 H GLY 21 -7.670 -4.530 1.868 156 1HA GLY 21 1HA GLY 21 -9.122 -6.014 0.970 157 2HA GLY 21 2HA GLY 21 -10.511 -5.100 1.556 158 H CYS 22 H CYS 22 -10.354 -2.678 0.521 159 HA CYS 22 HA CYS 22 -11.145 -3.021 -2.184 160 1HB CYS 22 2HB CYS 22 -11.446 -0.614 -2.160 161 2HB CYS 22 1HB CYS 22 -10.382 -0.442 -0.760 162 H PHE 23 H PHE 23 -10.146 -2.454 -4.169 163 HA PHE 23 HA PHE 23 -7.227 -2.521 -4.084 164 1HB PHE 23 1HB PHE 23 -8.535 -3.935 -5.647 165 2HB PHE 23 2HB PHE 23 -9.073 -2.483 -6.479 166 HD1 PHE 23 HD1 PHE 23 -6.113 -4.613 -5.673 167 HD2 PHE 23 HD2 PHE 23 -7.604 -1.379 -8.096 168 HE1 PHE 23 HE1 PHE 23 -4.039 -4.662 -7.000 169 HE2 PHE 23 HE2 PHE 23 -5.529 -1.425 -9.431 170 HZ PHE 23 HZ PHE 23 -3.738 -3.056 -8.901 171 H ASN 24 H ASN 24 -7.221 -0.404 -2.901 172 HA ASN 24 HA ASN 24 -6.418 1.529 -4.932 173 1HB ASN 24 1HB ASN 24 -8.788 2.169 -4.513 174 2HB ASN 24 2HB ASN 24 -8.366 2.515 -2.829 175 2HD2 ASN 24 1HD2 ASN 24 -6.711 4.207 -2.475 176 1HD2 ASN 24 2HD2 ASN 24 -6.741 5.563 -3.552 177 H SER 25 H SER 25 -4.425 1.147 -4.329 178 HA SER 25 HA SER 25 -3.525 2.162 -1.702 179 1HB SER 25 1HB SER 25 -2.113 -0.057 -3.182 180 2HB SER 25 2HB SER 25 -1.951 0.410 -1.486 181 HG SER 25 HG SER 25 -4.031 -1.009 -2.797 182 H ARG 26 H ARG 26 -1.477 3.202 -1.784 183 HA ARG 26 HA ARG 26 -0.253 3.670 -4.430 184 1HB ARG 26 1HB ARG 26 -0.993 5.836 -2.387 185 2HB ARG 26 2HB ARG 26 0.210 6.055 -3.657 186 1HG ARG 26 1HG ARG 26 -1.554 5.454 -5.357 187 2HG ARG 26 2HG ARG 26 -2.761 5.527 -4.068 188 1HD ARG 26 1HD ARG 26 -2.385 7.860 -3.727 189 2HD ARG 26 2HD ARG 26 -0.853 7.839 -4.596 190 HE ARG 26 HE ARG 26 -3.548 7.981 -5.710 191 1HH1 ARG 26 1HH1 ARG 26 -0.116 7.302 -6.521 192 2HH1 ARG 26 2HH1 ARG 26 -0.314 7.782 -8.176 193 1HH2 ARG 26 1HH2 ARG 26 -3.728 8.591 -7.991 194 2HH2 ARG 26 2HH2 ARG 26 -2.254 8.768 -8.877 195 H CYS 27 H CYS 27 1.973 4.465 -4.143 196 HA CYS 27 HA CYS 27 3.243 3.804 -1.567 197 1HB CYS 27 1HB CYS 27 3.933 2.745 -4.302 198 2HB CYS 27 2HB CYS 27 5.194 3.040 -3.117 199 H ILE 28 H ILE 28 4.097 5.744 -0.919 200 HA ILE 28 HA ILE 28 5.238 7.590 -2.920 201 HB ILE 28 HB ILE 28 2.998 8.351 -2.828 202 1HG1 ILE 28 2HG1 ILE 28 4.571 10.022 -0.829 203 2HG1 ILE 28 1HG1 ILE 28 3.058 10.518 -1.576 204 1HG2 ILE 28 1HG2 ILE 28 2.110 7.082 -0.922 205 2HG2 ILE 28 2HG2 ILE 28 3.019 8.112 0.206 206 3HG2 ILE 28 3HG2 ILE 28 1.713 8.784 -0.791 207 1HD1 ILE 28 1HD1 ILE 28 4.085 10.427 -3.804 208 2HD1 ILE 28 2HD1 ILE 28 4.947 11.534 -2.720 209 3HD1 ILE 28 3HD1 ILE 28 5.637 9.943 -3.075 210 H ASN 29 H ASN 29 7.068 8.602 -2.065 211 HA ASN 29 HA ASN 29 8.914 8.706 -0.718 212 1HB ASN 29 1HB ASN 29 6.782 9.116 1.412 213 2HB ASN 29 2HB ASN 29 8.508 9.220 1.732 214 2HD2 ASN 29 1HD2 ASN 29 5.820 11.082 0.798 215 1HD2 ASN 29 2HD2 ASN 29 6.730 12.485 0.344 216 H LYS 30 H LYS 30 8.366 6.268 -1.559 217 HA LYS 30 HA LYS 30 8.420 4.056 -1.356 218 1HB LYS 30 1HB LYS 30 10.707 4.834 -0.611 219 2HB LYS 30 2HB LYS 30 10.220 4.484 1.050 220 1HG LYS 30 1HG LYS 30 9.935 2.124 0.517 221 2HG LYS 30 2HG LYS 30 10.101 2.452 -1.217 222 1HD LYS 30 1HD LYS 30 12.443 3.016 -0.937 223 2HD LYS 30 2HD LYS 30 12.321 2.834 0.833 224 1HE LYS 30 1HE LYS 30 11.655 0.459 0.539 225 2HE LYS 30 2HE LYS 30 11.736 0.645 -1.222 226 1HZ LYS 30 1HZ LYS 30 14.042 0.919 0.609 227 2HZ LYS 30 2HZ LYS 30 13.705 -0.404 -0.276 228 3HZ LYS 30 3HZ LYS 30 14.095 1.003 -1.039 229 H SER 31 H SER 31 6.520 5.653 0.809 230 HA SER 31 HA SER 31 5.983 3.435 2.642 231 1HB SER 31 1HB SER 31 6.388 5.981 3.151 232 2HB SER 31 2HB SER 31 4.703 6.171 2.642 233 HG SER 31 HG SER 31 5.419 5.690 4.953 234 H CYS 32 H CYS 32 4.080 2.249 2.511 235 HA CYS 32 HA CYS 32 2.370 2.593 0.184 236 1HB CYS 32 2HB CYS 32 1.178 0.728 0.902 237 2HB CYS 32 1HB CYS 32 1.654 0.909 2.583 238 H LYS 33 H LYS 33 0.238 3.306 0.248 239 HA LYS 33 HA LYS 33 -0.979 4.226 2.792 240 1HB LYS 33 1HB LYS 33 -0.743 5.819 0.190 241 2HB LYS 33 2HB LYS 33 -1.926 6.192 1.438 242 1HG LYS 33 1HG LYS 33 1.092 6.205 1.893 243 2HG LYS 33 2HG LYS 33 0.148 7.610 1.448 244 1HD LYS 33 1HD LYS 33 -0.359 8.028 3.565 245 2HD LYS 33 2HD LYS 33 -1.181 6.474 3.726 246 1HE LYS 33 1HE LYS 33 0.904 5.376 4.368 247 2HE LYS 33 2HE LYS 33 1.832 6.851 4.049 248 1HZ LYS 33 1HZ LYS 33 -0.253 6.580 6.121 249 2HZ LYS 33 2HZ LYS 33 1.360 6.531 6.404 250 3HZ LYS 33 3HZ LYS 33 0.695 7.916 5.867 251 H CYS 34 H CYS 34 -2.771 2.840 2.886 252 HA CYS 34 HA CYS 34 -3.974 1.977 0.296 253 1HB CYS 34 1HB CYS 34 -5.178 0.810 2.621 254 2HB CYS 34 2HB CYS 34 -4.467 0.034 1.221 255 H TYR 35 H TYR 35 -6.310 2.234 0.078 256 HA TYR 35 HA TYR 35 -7.455 4.314 1.878 257 1HB TYR 35 1HB TYR 35 -7.679 4.183 -1.113 258 2HB TYR 35 2HB TYR 35 -8.430 5.343 -0.064 259 HD1 TYR 35 HD1 TYR 35 -4.943 4.149 -1.023 260 HD2 TYR 35 HD2 TYR 35 -7.445 7.442 0.242 261 HE1 TYR 35 HE1 TYR 35 -3.075 5.686 -1.368 262 HE2 TYR 35 HE2 TYR 35 -5.583 8.996 -0.171 263 HH TYR 35 HH TYR 35 -3.566 9.152 -1.380 264 H GLY 36 H GLY 36 -8.845 3.050 2.989 265 1HA GLY 36 1HA GLY 36 -10.303 0.850 2.073 266 2HA GLY 36 2HA GLY 36 -10.791 1.926 3.397 267 H CYS 37 H CYS 37 -12.589 0.676 1.755 268 HA CYS 37 HA CYS 37 -14.069 2.929 0.658 269 1HB CYS 37 1HB CYS 37 -14.685 1.866 -1.331 270 2HB CYS 37 2HB CYS 37 -12.944 1.703 -1.279 271 H THR 38 H THR 38 -16.383 2.408 0.804 272 HA THR 38 HA THR 38 -18.004 2.073 2.320 273 HB THR 38 HB THR 38 -18.260 0.347 0.614 274 HG1 THR 38 HG1 THR 38 -19.278 0.207 3.146 275 1HG2 THR 38 1HG2 THR 38 -16.936 -1.574 2.547 276 2HG2 THR 38 2HG2 THR 38 -17.992 -2.072 1.224 277 3HG2 THR 38 3HG2 THR 38 -16.486 -1.213 0.874 No H/Q in entry = 277 Start of MODEL 13 1 H1 ASP 1 H1 ASP 1 11.051 -1.754 14.426 2 H2 ASP 1 H2 ASP 1 10.522 -3.152 13.768 3 H3 ASP 1 H3 ASP 1 12.044 -2.598 13.425 4 HA ASP 1 HA ASP 1 11.160 -0.733 12.247 5 1HB ASP 1 1HB ASP 1 9.871 -3.337 11.354 6 2HB ASP 1 2HB ASP 1 9.861 -1.848 10.429 7 H GLU 2 H GLU 2 9.524 0.687 11.907 8 HA GLU 2 HA GLU 2 6.814 0.212 12.903 9 1HB GLU 2 1HB GLU 2 8.815 1.245 14.651 10 2HB GLU 2 2HB GLU 2 7.815 2.622 14.245 11 1HG GLU 2 1HG GLU 2 6.740 -0.062 15.232 12 2HG GLU 2 2HG GLU 2 7.111 1.304 16.273 13 H ALA 3 H ALA 3 7.573 0.454 10.406 14 HA ALA 3 HA ALA 3 6.218 2.827 9.500 15 1HB ALA 3 1HB ALA 3 8.616 3.627 9.646 16 2HB ALA 3 2HB ALA 3 9.079 2.325 8.532 17 3HB ALA 3 3HB ALA 3 7.982 3.623 7.997 18 H ILE 4 H ILE 4 6.392 2.591 6.856 19 HA ILE 4 HA ILE 4 6.487 -0.229 6.053 20 HB ILE 4 HB ILE 4 4.178 1.657 5.348 21 1HG1 ILE 4 1HG1 ILE 4 2.852 -0.415 6.353 22 2HG1 ILE 4 2HG1 ILE 4 4.322 -0.700 7.259 23 1HG2 ILE 4 1HG2 ILE 4 4.756 -1.224 4.523 24 2HG2 ILE 4 2HG2 ILE 4 3.281 -0.318 4.136 25 3HG2 ILE 4 3HG2 ILE 4 4.818 0.207 3.467 26 1HD1 ILE 4 1HD1 ILE 4 2.700 1.895 7.275 27 2HD1 ILE 4 2HD1 ILE 4 2.545 0.600 8.467 28 3HD1 ILE 4 3HD1 ILE 4 4.047 1.517 8.364 29 H ARG 5 H ARG 5 7.402 -0.352 3.947 30 HA ARG 5 HA ARG 5 7.697 2.043 2.364 31 1HB ARG 5 1HB ARG 5 9.889 1.168 4.020 32 2HB ARG 5 2HB ARG 5 10.280 0.667 2.385 33 1HG ARG 5 2HG ARG 5 10.016 2.996 1.587 34 2HG ARG 5 1HG ARG 5 11.222 2.856 2.874 35 1HD ARG 5 1HD ARG 5 8.381 3.915 3.113 36 2HD ARG 5 2HD ARG 5 9.403 3.533 4.512 37 HE ARG 5 HE ARG 5 10.843 5.286 2.832 38 1HH1 ARG 5 1HH1 ARG 5 8.007 5.266 4.954 39 2HH1 ARG 5 2HH1 ARG 5 8.143 6.947 5.403 40 1HH2 ARG 5 1HH2 ARG 5 10.918 7.563 3.270 41 2HH2 ARG 5 2HH2 ARG 5 9.800 8.303 4.336 42 H CYS 6 H CYS 6 7.845 1.445 0.096 43 HA CYS 6 HA CYS 6 7.529 -1.492 -0.395 44 1HB CYS 6 1HB CYS 6 6.442 -0.784 -2.508 45 2HB CYS 6 2HB CYS 6 5.563 -0.459 -1.046 46 H THR 7 H THR 7 8.715 -2.490 -1.984 47 HA THR 7 HA THR 7 11.231 -1.111 -2.719 48 HB THR 7 HB THR 7 11.306 -3.281 -1.555 49 HG1 THR 7 HG1 THR 7 13.026 -2.768 -2.941 50 1HG2 THR 7 1HG2 THR 7 9.958 -4.422 -4.039 51 2HG2 THR 7 2HG2 THR 7 10.819 -5.394 -2.843 52 3HG2 THR 7 3HG2 THR 7 9.399 -4.498 -2.350 53 H GLY 8 H GLY 8 8.194 -1.926 -4.070 54 1HA GLY 8 1HA GLY 8 9.039 -0.998 -6.736 55 2HA GLY 8 2HA GLY 8 8.074 -2.481 -6.626 56 H THR 9 H THR 9 6.636 -0.751 -7.939 57 HA THR 9 HA THR 9 5.051 0.889 -6.048 58 HB THR 9 HB THR 9 5.029 0.821 -9.071 59 HG1 THR 9 HG1 THR 9 6.944 1.627 -8.180 60 1HG2 THR 9 1HG2 THR 9 3.689 2.650 -7.037 61 2HG2 THR 9 2HG2 THR 9 3.815 2.978 -8.776 62 3HG2 THR 9 3HG2 THR 9 2.874 1.586 -8.211 63 H LYS 10 H LYS 10 4.449 -1.658 -8.582 64 HA LYS 10 HA LYS 10 1.801 -2.166 -7.499 65 1HB LYS 10 1HB LYS 10 1.573 -3.846 -9.083 66 2HB LYS 10 2HB LYS 10 2.623 -2.684 -9.864 67 1HG LYS 10 2HG LYS 10 4.518 -4.303 -8.809 68 2HG LYS 10 1HG LYS 10 3.783 -4.551 -10.395 69 1HD LYS 10 1HD LYS 10 2.623 -5.891 -7.931 70 2HD LYS 10 2HD LYS 10 2.303 -6.227 -9.634 71 1HE LYS 10 1HE LYS 10 4.740 -6.911 -9.863 72 2HE LYS 10 2HE LYS 10 4.905 -6.701 -8.110 73 1HZ LYS 10 1HZ LYS 10 3.129 -8.369 -7.858 74 2HZ LYS 10 2HZ LYS 10 3.119 -8.596 -9.496 75 3HZ LYS 10 3HZ LYS 10 4.455 -8.980 -8.618 76 H ASP 11 H ASP 11 4.943 -3.051 -6.524 77 HA ASP 11 HA ASP 11 4.999 -5.340 -5.175 78 1HB ASP 11 1HB ASP 11 6.723 -3.623 -5.261 79 2HB ASP 11 2HB ASP 11 5.790 -2.582 -4.175 80 H CYS 12 H CYS 12 3.611 -2.396 -3.608 81 HA CYS 12 HA CYS 12 2.734 -3.939 -1.351 82 1HB CYS 12 1HB CYS 12 3.037 -1.160 -2.008 83 2HB CYS 12 2HB CYS 12 1.425 -1.402 -1.336 84 H TYR 13 H TYR 13 1.333 -4.279 -4.281 85 HA TYR 13 HA TYR 13 -1.442 -3.770 -3.798 86 1HB TYR 13 1HB TYR 13 0.024 -5.711 -5.626 87 2HB TYR 13 2HB TYR 13 -1.715 -5.572 -5.581 88 HD1 TYR 13 HD1 TYR 13 -0.535 -2.238 -5.134 89 HD2 TYR 13 HD2 TYR 13 -0.969 -5.337 -8.090 90 HE1 TYR 13 HE1 TYR 13 -0.729 -0.520 -6.893 91 HE2 TYR 13 HE2 TYR 13 -1.154 -3.645 -9.860 92 HH TYR 13 HH TYR 13 -1.637 -1.380 -10.201 93 H ILE 14 H ILE 14 0.629 -6.491 -2.802 94 HA ILE 14 HA ILE 14 -1.615 -8.159 -2.025 95 HB ILE 14 HB ILE 14 1.342 -8.248 -1.370 96 1HG1 ILE 14 1HG1 ILE 14 0.629 -8.963 -3.632 97 2HG1 ILE 14 2HG1 ILE 14 1.436 -10.200 -2.688 98 1HG2 ILE 14 1HG2 ILE 14 -0.836 -10.063 -0.254 99 2HG2 ILE 14 2HG2 ILE 14 0.892 -10.474 -0.283 100 3HG2 ILE 14 3HG2 ILE 14 0.334 -9.092 0.656 101 1HD1 ILE 14 1HD1 ILE 14 -1.583 -10.057 -3.119 102 2HD1 ILE 14 2HD1 ILE 14 -0.452 -11.119 -3.968 103 3HD1 ILE 14 3HD1 ILE 14 -0.708 -11.333 -2.239 104 HA PRO 15 HA PRO 15 -0.966 -6.662 2.380 105 1HB PRO 15 1HB PRO 15 0.489 -4.385 2.988 106 2HB PRO 15 2HB PRO 15 1.127 -6.059 3.017 107 1HG PRO 15 1HG PRO 15 1.286 -4.044 0.769 108 2HG PRO 15 2HG PRO 15 2.612 -5.042 1.443 109 1HD PRO 15 1HD PRO 15 1.377 -5.836 -0.797 110 2HD PRO 15 2HD PRO 15 1.702 -7.029 0.491 111 H CYS 16 H CYS 16 -0.996 -3.802 0.060 112 HA CYS 16 HA CYS 16 -2.833 -2.436 1.746 113 1HB CYS 16 1HB CYS 16 -2.183 -2.182 -1.199 114 2HB CYS 16 2HB CYS 16 -3.522 -1.285 -0.494 115 H ARG 17 H ARG 17 -3.558 -4.687 -0.978 116 HA ARG 17 HA ARG 17 -6.415 -4.343 -0.565 117 1HB ARG 17 1HB ARG 17 -5.426 -5.127 -2.695 118 2HB ARG 17 2HB ARG 17 -4.883 -6.617 -1.920 119 1HG ARG 17 1HG ARG 17 -7.808 -5.820 -1.827 120 2HG ARG 17 2HG ARG 17 -7.147 -6.524 -3.297 121 1HD ARG 17 1HD ARG 17 -6.504 -8.524 -2.237 122 2HD ARG 17 2HD ARG 17 -6.778 -7.937 -0.629 123 HE ARG 17 HE ARG 17 -8.813 -8.703 -2.631 124 1HH1 ARG 17 1HH1 ARG 17 -8.232 -7.653 0.721 125 2HH1 ARG 17 2HH1 ARG 17 -9.576 -8.556 1.367 126 1HH2 ARG 17 1HH2 ARG 17 -10.827 -9.434 -1.800 127 2HH2 ARG 17 2HH2 ARG 17 -11.051 -9.601 -0.085 128 H TYR 18 H TYR 18 -3.889 -6.491 0.837 129 HA TYR 18 HA TYR 18 -5.774 -8.204 2.114 130 1HB TYR 18 1HB TYR 18 -3.260 -8.563 1.691 131 2HB TYR 18 2HB TYR 18 -2.989 -7.616 3.157 132 HD1 TYR 18 HD1 TYR 18 -4.657 -10.622 1.707 133 HD2 TYR 18 HD2 TYR 18 -3.350 -8.672 5.338 134 HE1 TYR 18 HE1 TYR 18 -5.225 -12.642 2.993 135 HE2 TYR 18 HE2 TYR 18 -3.921 -10.688 6.627 136 HH TYR 18 HH TYR 18 -5.326 -13.617 5.052 137 H ILE 19 H ILE 19 -4.304 -5.138 3.143 138 HA ILE 19 HA ILE 19 -5.371 -5.274 5.842 139 HB ILE 19 HB ILE 19 -3.639 -3.386 4.242 140 1HG1 ILE 19 1HG1 ILE 19 -2.107 -3.615 6.112 141 2HG1 ILE 19 2HG1 ILE 19 -3.328 -4.415 7.089 142 1HG2 ILE 19 1HG2 ILE 19 -4.961 -2.591 6.865 143 2HG2 ILE 19 2HG2 ILE 19 -3.562 -1.788 6.124 144 3HG2 ILE 19 3HG2 ILE 19 -5.106 -1.762 5.299 145 1HD1 ILE 19 1HD1 ILE 19 -3.170 -6.408 5.586 146 2HD1 ILE 19 2HD1 ILE 19 -1.837 -5.590 4.724 147 3HD1 ILE 19 3HD1 ILE 19 -1.674 -6.005 6.430 148 H THR 20 H THR 20 -6.032 -3.070 2.998 149 HA THR 20 HA THR 20 -8.335 -2.080 4.518 150 HB THR 20 HB THR 20 -6.444 -0.801 3.168 151 HG1 THR 20 HG1 THR 20 -9.122 0.061 3.464 152 1HG2 THR 20 1HG2 THR 20 -7.121 -1.567 0.906 153 2HG2 THR 20 2HG2 THR 20 -8.682 -0.747 1.117 154 3HG2 THR 20 3HG2 THR 20 -7.181 0.191 1.117 155 H GLY 21 H GLY 21 -8.020 -4.727 2.512 156 1HA GLY 21 1HA GLY 21 -9.747 -6.122 1.908 157 2HA GLY 21 2HA GLY 21 -10.918 -4.843 2.231 158 H CYS 22 H CYS 22 -10.425 -2.831 0.616 159 HA CYS 22 HA CYS 22 -10.889 -3.887 -2.073 160 1HB CYS 22 1HB CYS 22 -10.674 -1.052 -1.004 161 2HB CYS 22 2HB CYS 22 -11.115 -1.470 -2.661 162 H PHE 23 H PHE 23 -9.732 -3.294 -3.932 163 HA PHE 23 HA PHE 23 -6.819 -3.177 -3.609 164 1HB PHE 23 1HB PHE 23 -7.766 -4.765 -5.160 165 2HB PHE 23 2HB PHE 23 -8.685 -3.501 -5.978 166 HD1 PHE 23 HD1 PHE 23 -5.197 -4.696 -5.281 167 HD2 PHE 23 HD2 PHE 23 -7.766 -2.338 -7.831 168 HE1 PHE 23 HE1 PHE 23 -3.347 -4.370 -6.858 169 HE2 PHE 23 HE2 PHE 23 -5.886 -1.985 -9.390 170 HZ PHE 23 HZ PHE 23 -3.664 -2.997 -8.928 171 H ASN 24 H ASN 24 -6.500 -1.000 -2.799 172 HA ASN 24 HA ASN 24 -6.216 0.842 -5.029 173 1HB ASN 24 1HB ASN 24 -8.506 1.423 -4.153 174 2HB ASN 24 2HB ASN 24 -7.733 1.877 -2.631 175 2HD2 ASN 24 1HD2 ASN 24 -8.888 3.983 -3.457 176 1HD2 ASN 24 2HD2 ASN 24 -7.915 5.065 -4.449 177 H SER 25 H SER 25 -4.115 0.404 -4.742 178 HA SER 25 HA SER 25 -2.780 1.030 -2.170 179 1HB SER 25 2HB SER 25 -1.254 -0.634 -2.728 180 2HB SER 25 1HB SER 25 -1.450 -0.374 -4.463 181 HG SER 25 HG SER 25 -3.336 -1.478 -4.466 182 H ARG 26 H ARG 26 -1.553 2.917 -2.140 183 HA ARG 26 HA ARG 26 -0.380 3.817 -4.727 184 1HB ARG 26 1HB ARG 26 -2.440 5.083 -4.052 185 2HB ARG 26 2HB ARG 26 -1.559 5.667 -2.632 186 1HG ARG 26 1HG ARG 26 0.086 6.791 -4.013 187 2HG ARG 26 2HG ARG 26 -0.500 5.994 -5.483 188 1HD ARG 26 1HD ARG 26 -2.076 7.993 -3.825 189 2HD ARG 26 2HD ARG 26 -1.236 8.343 -5.338 190 HE ARG 26 HE ARG 26 -2.724 6.601 -6.408 191 1HH1 ARG 26 1HH1 ARG 26 -3.915 8.714 -3.831 192 2HH1 ARG 26 2HH1 ARG 26 -5.573 8.260 -4.036 193 1HH2 ARG 26 1HH2 ARG 26 -4.849 6.020 -6.704 194 2HH2 ARG 26 2HH2 ARG 26 -6.138 6.644 -5.710 195 H CYS 27 H CYS 27 1.801 3.684 -4.545 196 HA CYS 27 HA CYS 27 3.038 3.791 -1.865 197 1HB CYS 27 1HB CYS 27 4.138 3.446 -4.671 198 2HB CYS 27 2HB CYS 27 5.171 3.883 -3.322 199 H ILE 28 H ILE 28 3.560 5.759 -0.980 200 HA ILE 28 HA ILE 28 4.030 8.089 -2.673 201 HB ILE 28 HB ILE 28 1.636 8.206 -2.296 202 1HG1 ILE 28 2HG1 ILE 28 3.053 10.116 -0.412 203 2HG1 ILE 28 1HG1 ILE 28 1.417 10.312 -1.041 204 1HG2 ILE 28 1HG2 ILE 28 1.443 6.731 -0.298 205 2HG2 ILE 28 2HG2 ILE 28 2.125 8.031 0.702 206 3HG2 ILE 28 3HG2 ILE 28 0.576 8.267 -0.132 207 1HD1 ILE 28 1HD1 ILE 28 2.318 10.380 -3.355 208 2HD1 ILE 28 2HD1 ILE 28 2.900 11.704 -2.330 209 3HD1 ILE 28 3HD1 ILE 28 3.960 10.325 -2.685 210 H ASN 29 H ASN 29 5.683 9.297 -1.746 211 HA ASN 29 HA ASN 29 7.603 9.485 -0.582 212 1HB ASN 29 1HB ASN 29 6.060 10.589 1.008 213 2HB ASN 29 2HB ASN 29 5.876 9.049 1.867 214 2HD2 ASN 29 1HD2 ASN 29 6.861 9.767 3.812 215 1HD2 ASN 29 2HD2 ASN 29 8.577 10.206 3.882 216 H LYS 30 H LYS 30 7.022 6.929 -1.646 217 HA LYS 30 HA LYS 30 7.589 4.796 -1.708 218 1HB LYS 30 1HB LYS 30 9.850 5.951 -1.189 219 2HB LYS 30 2HB LYS 30 9.691 5.229 0.417 220 1HG LYS 30 1HG LYS 30 9.563 2.959 -0.674 221 2HG LYS 30 2HG LYS 30 9.709 3.736 -2.260 222 1HD LYS 30 1HD LYS 30 11.913 4.623 -1.634 223 2HD LYS 30 2HD LYS 30 11.754 3.938 -0.001 224 1HE LYS 30 1HE LYS 30 11.689 1.654 -0.923 225 2HE LYS 30 2HE LYS 30 11.732 2.300 -2.571 226 1HZ LYS 30 1HZ LYS 30 13.885 3.269 -2.071 227 2HZ LYS 30 2HZ LYS 30 13.880 2.579 -0.559 228 3HZ LYS 30 3HZ LYS 30 13.927 1.635 -1.885 229 H SER 31 H SER 31 5.862 5.901 0.871 230 HA SER 31 HA SER 31 5.800 3.264 2.245 231 1HB SER 31 1HB SER 31 6.011 5.290 3.695 232 2HB SER 31 2HB SER 31 4.468 5.884 3.035 233 HG SER 31 HG SER 31 4.146 4.632 4.991 234 H CYS 32 H CYS 32 3.632 2.424 2.610 235 HA CYS 32 HA CYS 32 2.136 2.530 0.056 236 1HB CYS 32 2HB CYS 32 1.243 0.397 0.702 237 2HB CYS 32 1HB CYS 32 1.942 0.514 2.321 238 H LYS 33 H LYS 33 0.467 3.970 0.016 239 HA LYS 33 HA LYS 33 -1.204 4.260 2.476 240 1HB LYS 33 1HB LYS 33 -0.750 6.012 0.051 241 2HB LYS 33 2HB LYS 33 -2.341 5.997 0.789 242 1HG LYS 33 1HG LYS 33 0.177 6.514 2.400 243 2HG LYS 33 2HG LYS 33 -0.754 7.804 1.637 244 1HD LYS 33 1HD LYS 33 -1.951 5.889 3.688 245 2HD LYS 33 2HD LYS 33 -1.252 7.470 4.055 246 1HE LYS 33 1HE LYS 33 -2.870 8.562 2.525 247 2HE LYS 33 2HE LYS 33 -3.609 6.991 2.170 248 1HZ LYS 33 1HZ LYS 33 -3.503 8.218 4.856 249 2HZ LYS 33 2HZ LYS 33 -4.804 8.236 3.841 250 3HZ LYS 33 3HZ LYS 33 -4.293 6.801 4.407 251 H CYS 34 H CYS 34 -2.715 2.850 2.541 252 HA CYS 34 HA CYS 34 -3.728 1.511 0.096 253 1HB CYS 34 2HB CYS 34 -4.400 -0.211 1.642 254 2HB CYS 34 1HB CYS 34 -4.116 0.827 3.037 255 H TYR 35 H TYR 35 -5.299 2.832 -0.680 256 HA TYR 35 HA TYR 35 -6.619 4.813 1.028 257 1HB TYR 35 1HB TYR 35 -6.413 4.214 -1.910 258 2HB TYR 35 2HB TYR 35 -7.811 5.115 -1.337 259 HD1 TYR 35 HD1 TYR 35 -4.039 5.178 -1.309 260 HD2 TYR 35 HD2 TYR 35 -7.709 7.410 -0.927 261 HE1 TYR 35 HE1 TYR 35 -2.747 7.309 -1.245 262 HE2 TYR 35 HE2 TYR 35 -6.453 9.511 -0.850 263 HH TYR 35 HH TYR 35 -4.373 10.507 -1.080 264 H GLY 36 H GLY 36 -8.157 3.995 2.375 265 1HA GLY 36 1HA GLY 36 -9.527 1.573 1.955 266 2HA GLY 36 2HA GLY 36 -10.000 2.844 3.099 267 H CYS 37 H CYS 37 -11.923 1.349 1.876 268 HA CYS 37 HA CYS 37 -12.998 3.029 -0.341 269 1HB CYS 37 1HB CYS 37 -14.113 0.937 -1.100 270 2HB CYS 37 2HB CYS 37 -12.364 0.960 -1.250 271 H THR 38 H THR 38 -14.658 4.184 0.280 272 HA THR 38 HA THR 38 -16.416 4.983 1.385 273 HB THR 38 HB THR 38 -18.189 3.070 2.118 274 HG1 THR 38 HG1 THR 38 -16.645 1.488 1.299 275 1HG2 THR 38 1HG2 THR 38 -18.578 4.965 0.588 276 2HG2 THR 38 2HG2 THR 38 -17.706 4.118 -0.709 277 3HG2 THR 38 3HG2 THR 38 -19.241 3.470 -0.076 No H/Q in entry = 277 Start of MODEL 14 1 H1 ASP 1 H1 ASP 1 8.835 1.689 14.778 2 H2 ASP 1 H2 ASP 1 9.849 0.438 14.576 3 H3 ASP 1 H3 ASP 1 10.452 1.957 14.892 4 HA ASP 1 HA ASP 1 9.828 2.750 12.786 5 1HB ASP 1 1HB ASP 1 11.908 1.522 12.759 6 2HB ASP 1 2HB ASP 1 11.058 -0.021 12.589 7 H GLU 2 H GLU 2 7.533 2.927 12.753 8 HA GLU 2 HA GLU 2 6.025 0.516 11.863 9 1HB GLU 2 1HB GLU 2 5.282 2.948 13.527 10 2HB GLU 2 2HB GLU 2 4.098 1.821 12.883 11 1HG GLU 2 1HG GLU 2 4.547 1.231 15.171 12 2HG GLU 2 2HG GLU 2 5.114 -0.045 14.094 13 H ALA 3 H ALA 3 6.920 3.738 10.781 14 HA ALA 3 HA ALA 3 4.709 4.140 8.983 15 1HB ALA 3 2HB ALA 3 6.356 5.597 7.741 16 2HB ALA 3 1HB ALA 3 7.611 5.099 8.892 17 3HB ALA 3 3HB ALA 3 6.196 6.005 9.456 18 H ILE 4 H ILE 4 4.168 2.798 7.330 19 HA ILE 4 HA ILE 4 5.898 0.579 6.681 20 HB ILE 4 HB ILE 4 3.280 1.333 5.340 21 1HG1 ILE 4 1HG1 ILE 4 3.726 -0.303 7.885 22 2HG1 ILE 4 2HG1 ILE 4 2.938 1.275 7.800 23 1HG2 ILE 4 1HG2 ILE 4 4.780 -0.445 4.285 24 2HG2 ILE 4 2HG2 ILE 4 4.606 -1.388 5.773 25 3HG2 ILE 4 3HG2 ILE 4 3.188 -1.028 4.760 26 1HD1 ILE 4 1HD1 ILE 4 1.164 0.306 6.350 27 2HD1 ILE 4 2HD1 ILE 4 1.883 -1.295 6.627 28 3HD1 ILE 4 3HD1 ILE 4 1.235 -0.371 7.987 29 H ARG 5 H ARG 5 7.565 0.805 5.312 30 HA ARG 5 HA ARG 5 7.651 2.973 3.304 31 1HB ARG 5 1HB ARG 5 9.718 1.330 4.755 32 2HB ARG 5 2HB ARG 5 10.077 1.837 3.103 33 1HG ARG 5 1HG ARG 5 9.658 4.179 3.639 34 2HG ARG 5 2HG ARG 5 9.189 3.763 5.292 35 1HD ARG 5 1HD ARG 5 11.930 3.035 4.195 36 2HD ARG 5 2HD ARG 5 11.594 4.656 4.825 37 HE ARG 5 HE ARG 5 10.751 3.431 6.909 38 1HH1 ARG 5 1HH1 ARG 5 13.591 2.246 5.043 39 2HH1 ARG 5 2HH1 ARG 5 14.123 1.291 6.399 40 1HH2 ARG 5 1HH2 ARG 5 11.678 2.290 8.680 41 2HH2 ARG 5 2HH2 ARG 5 13.104 1.373 8.401 42 H CYS 6 H CYS 6 8.430 2.329 1.122 43 HA CYS 6 HA CYS 6 8.071 -0.481 0.350 44 1HB CYS 6 1HB CYS 6 6.561 0.307 -1.549 45 2HB CYS 6 2HB CYS 6 5.843 0.216 0.044 46 H THR 7 H THR 7 8.756 -0.792 -1.888 47 HA THR 7 HA THR 7 10.941 0.984 -2.714 48 HB THR 7 HB THR 7 9.970 -1.425 -4.262 49 HG1 THR 7 HG1 THR 7 10.057 -2.191 -2.144 50 1HG2 THR 7 1HG2 THR 7 11.890 -0.032 -5.069 51 2HG2 THR 7 2HG2 THR 7 12.752 -0.367 -3.561 52 3HG2 THR 7 3HG2 THR 7 12.377 -1.687 -4.689 53 H GLY 8 H GLY 8 7.530 0.526 -3.443 54 1HA GLY 8 1HA GLY 8 7.185 2.769 -5.061 55 2HA GLY 8 2HA GLY 8 7.389 1.339 -6.108 56 H THR 9 H THR 9 4.905 2.473 -6.195 57 HA THR 9 HA THR 9 3.013 1.908 -4.242 58 HB THR 9 HB THR 9 2.835 2.107 -7.250 59 HG1 THR 9 HG1 THR 9 3.420 3.945 -6.282 60 1HG2 THR 9 1HG2 THR 9 0.591 1.641 -5.290 61 2HG2 THR 9 2HG2 THR 9 0.329 2.640 -6.745 62 3HG2 THR 9 3HG2 THR 9 0.850 0.959 -6.894 63 H LYS 10 H LYS 10 3.815 -0.254 -7.049 64 HA LYS 10 HA LYS 10 1.915 -2.155 -6.078 65 1HB LYS 10 1HB LYS 10 2.976 -1.783 -8.512 66 2HB LYS 10 2HB LYS 10 4.017 -3.106 -7.953 67 1HG LYS 10 1HG LYS 10 1.888 -4.364 -7.306 68 2HG LYS 10 2HG LYS 10 0.961 -3.040 -8.029 69 1HD LYS 10 1HD LYS 10 2.085 -3.527 -10.228 70 2HD LYS 10 2HD LYS 10 2.915 -4.899 -9.444 71 1HE LYS 10 1HE LYS 10 0.610 -5.745 -8.738 72 2HE LYS 10 2HE LYS 10 -0.098 -4.488 -9.764 73 1HZ LYS 10 1HZ LYS 10 1.072 -5.523 -11.644 74 2HZ LYS 10 2HZ LYS 10 1.620 -6.720 -10.670 75 3HZ LYS 10 3HZ LYS 10 0.015 -6.556 -10.908 76 H ASP 11 H ASP 11 4.793 -1.403 -4.602 77 HA ASP 11 HA ASP 11 5.905 -4.016 -4.240 78 1HB ASP 11 1HB ASP 11 7.129 -1.798 -4.063 79 2HB ASP 11 2HB ASP 11 6.326 -1.570 -2.502 80 H CYS 12 H CYS 12 4.032 -1.865 -1.999 81 HA CYS 12 HA CYS 12 3.515 -4.166 -0.204 82 1HB CYS 12 1HB CYS 12 2.557 -2.421 1.298 83 2HB CYS 12 2HB CYS 12 4.269 -2.293 0.956 84 H TYR 13 H TYR 13 2.174 -3.694 -2.979 85 HA TYR 13 HA TYR 13 -0.449 -2.784 -2.519 86 1HB TYR 13 1HB TYR 13 0.965 -3.453 -4.735 87 2HB TYR 13 2HB TYR 13 -0.098 -4.835 -4.662 88 HD1 TYR 13 HD1 TYR 13 -2.643 -4.437 -4.684 89 HD2 TYR 13 HD2 TYR 13 0.190 -1.237 -5.280 90 HE1 TYR 13 HE1 TYR 13 -4.430 -3.022 -5.662 91 HE2 TYR 13 HE2 TYR 13 -1.543 0.130 -6.322 92 HH TYR 13 HH TYR 13 -4.972 -0.850 -6.418 93 H ILE 14 H ILE 14 0.856 -6.124 -2.303 94 HA ILE 14 HA ILE 14 -1.685 -7.409 -2.058 95 HB ILE 14 HB ILE 14 1.158 -8.280 -1.546 96 1HG1 ILE 14 2HG1 ILE 14 -1.096 -9.458 -3.236 97 2HG1 ILE 14 1HG1 ILE 14 0.569 -10.031 -3.169 98 1HG2 ILE 14 1HG2 ILE 14 -1.312 -9.781 -0.623 99 2HG2 ILE 14 2HG2 ILE 14 0.271 -10.562 -0.945 100 3HG2 ILE 14 3HG2 ILE 14 0.126 -9.357 0.313 101 1HD1 ILE 14 1HD1 ILE 14 1.321 -7.853 -4.153 102 2HD1 ILE 14 2HD1 ILE 14 0.292 -8.830 -5.202 103 3HD1 ILE 14 3HD1 ILE 14 -0.390 -7.418 -4.377 104 HA PRO 15 HA PRO 15 -1.169 -7.442 2.643 105 1HB PRO 15 1HB PRO 15 0.427 -5.529 3.890 106 2HB PRO 15 2HB PRO 15 0.890 -7.227 3.563 107 1HG PRO 15 2HG PRO 15 2.610 -6.109 2.367 108 2HG PRO 15 1HG PRO 15 1.521 -4.759 1.941 109 1HD PRO 15 1HD PRO 15 1.470 -6.006 -0.067 110 2HD PRO 15 2HD PRO 15 1.596 -7.561 0.793 111 H CYS 16 H CYS 16 -0.711 -4.148 1.183 112 HA CYS 16 HA CYS 16 -2.717 -2.872 2.737 113 1HB CYS 16 1HB CYS 16 -1.582 -2.330 -0.007 114 2HB CYS 16 2HB CYS 16 -3.071 -1.540 0.515 115 H ARG 17 H ARG 17 -3.116 -4.449 -0.531 116 HA ARG 17 HA ARG 17 -5.932 -4.107 -0.623 117 1HB ARG 17 1HB ARG 17 -4.544 -4.736 -2.540 118 2HB ARG 17 2HB ARG 17 -4.200 -6.310 -1.837 119 1HG ARG 17 1HG ARG 17 -7.102 -5.565 -2.300 120 2HG ARG 17 2HG ARG 17 -6.080 -5.844 -3.696 121 1HD ARG 17 1HD ARG 17 -6.956 -7.924 -3.436 122 2HD ARG 17 2HD ARG 17 -5.413 -8.094 -2.594 123 HE ARG 17 HE ARG 17 -7.555 -7.309 -0.808 124 1HH1 ARG 17 1HH1 ARG 17 -6.074 -10.101 -2.422 125 2HH1 ARG 17 2HH1 ARG 17 -6.775 -11.281 -1.403 126 1HH2 ARG 17 1HH2 ARG 17 -8.531 -8.905 0.605 127 2HH2 ARG 17 2HH2 ARG 17 -8.159 -10.582 0.398 128 H TYR 18 H TYR 18 -3.951 -6.589 1.045 129 HA TYR 18 HA TYR 18 -6.222 -8.208 1.672 130 1HB TYR 18 1HB TYR 18 -3.606 -8.715 1.819 131 2HB TYR 18 2HB TYR 18 -3.845 -8.232 3.495 132 HD1 TYR 18 HD1 TYR 18 -5.789 -9.376 4.805 133 HD2 TYR 18 HD2 TYR 18 -4.377 -10.776 0.966 134 HE1 TYR 18 HE1 TYR 18 -7.045 -11.482 5.116 135 HE2 TYR 18 HE2 TYR 18 -5.631 -12.883 1.276 136 HH TYR 18 HH TYR 18 -7.275 -13.705 4.278 137 H ILE 19 H ILE 19 -4.372 -5.889 3.760 138 HA ILE 19 HA ILE 19 -6.135 -6.109 5.966 139 HB ILE 19 HB ILE 19 -4.227 -3.888 5.115 140 1HG1 ILE 19 1HG1 ILE 19 -3.760 -5.954 7.297 141 2HG1 ILE 19 2HG1 ILE 19 -3.376 -6.335 5.627 142 1HG2 ILE 19 1HG2 ILE 19 -5.557 -4.353 7.832 143 2HG2 ILE 19 2HG2 ILE 19 -4.248 -3.193 7.523 144 3HG2 ILE 19 3HG2 ILE 19 -5.809 -2.960 6.760 145 1HD1 ILE 19 1HD1 ILE 19 -1.848 -4.413 5.485 146 2HD1 ILE 19 2HD1 ILE 19 -2.163 -4.039 7.189 147 3HD1 ILE 19 3HD1 ILE 19 -1.384 -5.567 6.751 148 H THR 20 H THR 20 -5.940 -3.628 3.416 149 HA THR 20 HA THR 20 -8.241 -2.161 4.314 150 HB THR 20 HB THR 20 -5.906 -1.635 3.001 151 HG1 THR 20 HG1 THR 20 -8.253 -0.112 3.174 152 1HG2 THR 20 1HG2 THR 20 -6.646 -2.559 0.832 153 2HG2 THR 20 2HG2 THR 20 -7.968 -1.426 0.811 154 3HG2 THR 20 3HG2 THR 20 -6.298 -0.821 0.760 155 H GLY 21 H GLY 21 -7.956 -5.059 2.517 156 1HA GLY 21 1HA GLY 21 -9.578 -6.401 1.696 157 2HA GLY 21 2HA GLY 21 -10.785 -5.154 2.001 158 H CYS 22 H CYS 22 -10.166 -3.091 0.458 159 HA CYS 22 HA CYS 22 -10.659 -4.165 -2.224 160 1HB CYS 22 1HB CYS 22 -10.796 -1.275 -1.464 161 2HB CYS 22 2HB CYS 22 -11.528 -2.086 -2.825 162 H PHE 23 H PHE 23 -9.561 -3.502 -4.050 163 HA PHE 23 HA PHE 23 -6.766 -3.516 -3.862 164 1HB PHE 23 2HB PHE 23 -8.232 -4.667 -5.528 165 2HB PHE 23 1HB PHE 23 -6.852 -3.836 -6.197 166 HD1 PHE 23 HD1 PHE 23 -10.469 -2.740 -5.377 167 HD2 PHE 23 HD2 PHE 23 -7.275 -2.991 -8.302 168 HE1 PHE 23 HE1 PHE 23 -11.857 -1.593 -6.992 169 HE2 PHE 23 HE2 PHE 23 -8.749 -1.913 -9.949 170 HZ PHE 23 HZ PHE 23 -11.040 -1.177 -9.313 171 H ASN 24 H ASN 24 -7.644 -0.927 -2.734 172 HA ASN 24 HA ASN 24 -6.358 0.940 -4.701 173 1HB ASN 24 1HB ASN 24 -8.744 1.404 -2.970 174 2HB ASN 24 2HB ASN 24 -7.555 2.700 -3.111 175 2HD2 ASN 24 1HD2 ASN 24 -9.996 0.929 -4.868 176 1HD2 ASN 24 2HD2 ASN 24 -9.808 1.760 -6.400 177 H SER 25 H SER 25 -4.320 0.729 -4.188 178 HA SER 25 HA SER 25 -3.396 1.364 -1.460 179 1HB SER 25 2HB SER 25 -1.807 -0.450 -1.630 180 2HB SER 25 1HB SER 25 -2.189 -0.703 -3.326 181 HG SER 25 HG SER 25 -3.189 -2.285 -2.216 182 H ARG 26 H ARG 26 -1.668 3.092 -1.595 183 HA ARG 26 HA ARG 26 -0.262 3.162 -4.199 184 1HB ARG 26 1HB ARG 26 -1.980 5.243 -2.965 185 2HB ARG 26 2HB ARG 26 -0.394 5.811 -3.472 186 1HG ARG 26 1HG ARG 26 -0.798 5.008 -5.760 187 2HG ARG 26 2HG ARG 26 -2.406 4.412 -5.274 188 1HD ARG 26 1HD ARG 26 -3.152 6.629 -4.710 189 2HD ARG 26 2HD ARG 26 -1.536 7.305 -4.877 190 HE ARG 26 HE ARG 26 -3.150 6.180 -7.138 191 1HH1 ARG 26 1HH1 ARG 26 -0.511 8.343 -6.154 192 2HH1 ARG 26 2HH1 ARG 26 -0.652 9.341 -7.570 193 1HH2 ARG 26 1HH2 ARG 26 -3.441 7.630 -8.899 194 2HH2 ARG 26 2HH2 ARG 26 -2.195 8.787 -9.261 195 H CYS 27 H CYS 27 1.638 4.774 -3.900 196 HA CYS 27 HA CYS 27 2.749 4.687 -1.198 197 1HB CYS 27 1HB CYS 27 4.162 3.727 -3.700 198 2HB CYS 27 2HB CYS 27 5.038 4.467 -2.375 199 H ILE 28 H ILE 28 4.051 6.511 -0.799 200 HA ILE 28 HA ILE 28 4.221 8.574 -2.876 201 HB ILE 28 HB ILE 28 2.131 9.064 -1.857 202 1HG1 ILE 28 2HG1 ILE 28 4.244 10.857 -0.618 203 2HG1 ILE 28 1HG1 ILE 28 2.522 11.225 -0.711 204 1HG2 ILE 28 1HG2 ILE 28 2.231 7.731 0.184 205 2HG2 ILE 28 2HG2 ILE 28 3.428 8.837 0.886 206 3HG2 ILE 28 3HG2 ILE 28 1.775 9.397 0.535 207 1HD1 ILE 28 1HD1 ILE 28 2.649 11.076 -3.203 208 2HD1 ILE 28 2HD1 ILE 28 3.625 12.372 -2.482 209 3HD1 ILE 28 3HD1 ILE 28 4.412 10.892 -3.069 210 H ASN 29 H ASN 29 6.115 9.515 -2.774 211 HA ASN 29 HA ASN 29 8.223 9.960 -2.417 212 1HB ASN 29 1HB ASN 29 7.461 11.367 -0.565 213 2HB ASN 29 2HB ASN 29 7.640 10.016 0.561 214 2HD2 ASN 29 1HD2 ASN 29 9.298 11.219 1.775 215 1HD2 ASN 29 2HD2 ASN 29 10.893 11.471 1.123 216 H LYS 30 H LYS 30 7.667 7.778 0.379 217 HA LYS 30 HA LYS 30 8.996 5.630 -1.026 218 1HB LYS 30 1HB LYS 30 10.786 7.171 0.230 219 2HB LYS 30 2HB LYS 30 10.293 6.243 1.634 220 1HG LYS 30 1HG LYS 30 10.925 4.657 -0.841 221 2HG LYS 30 2HG LYS 30 12.249 5.588 -0.177 222 1HD LYS 30 1HD LYS 30 11.877 4.493 2.054 223 2HD LYS 30 2HD LYS 30 10.709 3.417 1.283 224 1HE LYS 30 1HE LYS 30 13.652 3.696 0.575 225 2HE LYS 30 2HE LYS 30 12.899 2.356 1.451 226 1HZ LYS 30 1HZ LYS 30 11.498 2.126 -0.657 227 2HZ LYS 30 2HZ LYS 30 12.668 3.011 -1.409 228 3HZ LYS 30 3HZ LYS 30 13.083 1.612 -0.688 229 H SER 31 H SER 31 6.386 6.554 0.801 230 HA SER 31 HA SER 31 6.321 3.959 2.217 231 1HB SER 31 1HB SER 31 5.044 5.343 3.989 232 2HB SER 31 2HB SER 31 6.809 5.423 3.924 233 HG SER 31 HG SER 31 6.077 7.474 4.086 234 H CYS 32 H CYS 32 4.404 3.056 2.678 235 HA CYS 32 HA CYS 32 2.550 3.050 0.485 236 1HB CYS 32 1HB CYS 32 2.347 1.745 3.224 237 2HB CYS 32 2HB CYS 32 1.447 1.281 1.789 238 H LYS 33 H LYS 33 0.578 3.974 0.356 239 HA LYS 33 HA LYS 33 -0.841 4.944 2.715 240 1HB LYS 33 1HB LYS 33 -0.060 6.744 0.391 241 2HB LYS 33 2HB LYS 33 -1.455 7.076 1.419 242 1HG LYS 33 1HG LYS 33 1.448 6.934 2.319 243 2HG LYS 33 2HG LYS 33 0.487 8.389 2.049 244 1HD LYS 33 1HD LYS 33 -0.987 7.855 3.927 245 2HD LYS 33 2HD LYS 33 -0.135 6.326 4.195 246 1HE LYS 33 1HE LYS 33 0.678 7.934 5.776 247 2HE LYS 33 2HE LYS 33 1.968 7.514 4.647 248 1HZ LYS 33 1HZ LYS 33 0.336 9.994 4.565 249 2HZ LYS 33 2HZ LYS 33 1.857 9.888 5.094 250 3HZ LYS 33 3HZ LYS 33 1.537 9.648 3.500 251 H CYS 34 H CYS 34 -2.561 3.670 2.543 252 HA CYS 34 HA CYS 34 -3.563 2.997 -0.167 253 1HB CYS 34 1HB CYS 34 -3.441 1.291 2.343 254 2HB CYS 34 2HB CYS 34 -4.067 0.783 0.772 255 H TYR 35 H TYR 35 -5.945 2.234 0.000 256 HA TYR 35 HA TYR 35 -7.442 4.141 1.766 257 1HB TYR 35 1HB TYR 35 -7.868 3.826 -1.216 258 2HB TYR 35 2HB TYR 35 -8.688 4.926 -0.142 259 HD1 TYR 35 HD1 TYR 35 -7.576 6.970 0.664 260 HD2 TYR 35 HD2 TYR 35 -5.629 4.268 -2.071 261 HE1 TYR 35 HE1 TYR 35 -6.047 8.789 -0.050 262 HE2 TYR 35 HE2 TYR 35 -4.083 6.047 -2.757 263 HH TYR 35 HH TYR 35 -4.464 9.425 -1.606 264 H GLY 36 H GLY 36 -7.612 1.411 -0.568 265 1HA GLY 36 1HA GLY 36 -9.156 -0.269 -0.743 266 2HA GLY 36 2HA GLY 36 -9.629 0.023 0.949 267 H CYS 37 H CYS 37 -11.878 -0.123 0.528 268 HA CYS 37 HA CYS 37 -13.155 1.762 -1.360 269 1HB CYS 37 2HB CYS 37 -15.209 0.687 -0.605 270 2HB CYS 37 1HB CYS 37 -14.338 -0.257 0.591 271 H THR 38 H THR 38 -11.960 1.755 1.895 272 HA THR 38 HA THR 38 -13.349 4.144 2.713 273 HB THR 38 HB THR 38 -13.881 1.398 3.954 274 HG1 THR 38 HG1 THR 38 -15.126 2.729 2.175 275 1HG2 THR 38 1HG2 THR 38 -13.488 3.006 5.782 276 2HG2 THR 38 2HG2 THR 38 -14.705 4.094 5.101 277 3HG2 THR 38 3HG2 THR 38 -15.179 2.495 5.707 No H/Q in entry = 277
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