NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1721 | 1av3 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 3H CYS 1 -1.548 12.793 -5.340 2 2H CYS 1 2H CYS 1 -0.406 13.337 -4.206 3 3H CYS 1 1H CYS 1 0.003 12.108 -5.306 4 HA CYS 1 HA CYS 1 -0.389 11.122 -3.186 5 1HB CYS 1 2HB CYS 1 -2.082 11.820 -1.821 6 2HB CYS 1 1HB CYS 1 -2.148 13.206 -2.851 7 H ARG 2 H ARG 2 -0.565 9.048 -3.742 8 HA ARG 2 HA ARG 2 -1.891 8.224 -6.197 9 1HB ARG 2 2HB ARG 2 0.296 7.339 -5.340 10 2HB ARG 2 1HB ARG 2 -0.551 6.530 -4.052 11 1HG ARG 2 2HG ARG 2 -0.838 4.748 -5.382 12 2HG ARG 2 1HG ARG 2 -1.938 5.684 -6.366 13 1HD ARG 2 2HD ARG 2 -0.442 5.852 -8.080 14 2HD ARG 2 1HD ARG 2 0.899 6.261 -7.025 15 HE ARG 2 HE ARG 2 0.138 3.555 -7.898 16 1HH1 ARG 2 2HH1 ARG 2 0.598 2.588 -5.458 17 2HH1 ARG 2 1HH1 ARG 2 2.300 2.663 -5.140 18 1HH2 ARG 2 1HH2 ARG 2 2.885 4.985 -7.687 19 2HH2 ARG 2 2HH2 ARG 2 3.622 4.047 -6.429 20 H ILE 3 H ILE 3 -3.793 7.272 -6.464 21 HA ILE 3 HA ILE 3 -5.820 7.367 -4.533 22 HB ILE 3 HB ILE 3 -7.122 6.059 -6.234 23 1HG1 ILE 3 2HG1 ILE 3 -4.430 5.832 -7.676 24 2HG1 ILE 3 1HG1 ILE 3 -5.326 4.505 -6.965 25 1HG2 ILE 3 2HG2 ILE 3 -6.615 8.576 -6.390 26 2HG2 ILE 3 1HG2 ILE 3 -5.387 8.166 -7.575 27 3HG2 ILE 3 3HG2 ILE 3 -7.076 7.806 -7.894 28 1HD1 ILE 3 3HD1 ILE 3 -7.263 5.087 -8.513 29 2HD1 ILE 3 2HD1 ILE 3 -6.170 6.195 -9.337 30 3HD1 ILE 3 1HD1 ILE 3 -5.828 4.476 -9.316 31 HA HYP 4 HA HYP 4 -5.808 3.495 -2.241 32 1HB HYP 4 1HB HYP 4 -7.919 3.165 -1.444 33 2HB HYP 4 2HB HYP 4 -8.631 3.104 -3.045 34 1HD HYP 4 1HD1 HYP 4 -7.031 6.803 -2.834 35 2HD HYP 4 2HD1 HYP 4 -7.976 6.177 -4.196 36 HOD HYP 4 HD2 HYP 4 -7.053 5.201 -0.869 37 HG HYP 4 HG HYP 4 -9.399 5.296 -2.480 38 H ASN 5 H ASN 5 -6.269 1.242 -2.485 39 HA ASN 5 HA ASN 5 -5.820 -0.770 -3.480 40 1HB ASN 5 2HB ASN 5 -7.443 -1.436 -5.147 41 2HB ASN 5 1HB ASN 5 -8.231 -0.326 -4.050 42 1HD2 ASN 5 2HD2 ASN 5 -9.055 1.960 -6.574 43 2HD2 ASN 5 1HD2 ASN 5 -9.215 1.486 -4.952 44 H GLN 6 H GLN 6 -4.297 1.730 -4.680 45 HA GLN 6 HA GLN 6 -3.425 0.642 -7.261 46 1HB GLN 6 2HB GLN 6 -3.678 3.200 -6.406 47 2HB GLN 6 1HB GLN 6 -2.032 2.945 -5.883 48 1HG GLN 6 2HG GLN 6 -1.928 3.840 -8.107 49 2HG GLN 6 1HG GLN 6 -1.514 2.138 -8.253 50 1HE2 GLN 6 2HE2 GLN 6 -3.896 2.696 -10.965 51 2HE2 GLN 6 1HE2 GLN 6 -2.274 3.025 -10.589 52 H LYS 7 H LYS 7 -1.736 -0.628 -7.510 53 HA LYS 7 HA LYS 7 -0.450 -2.018 -5.500 54 1HB LYS 7 2HB LYS 7 -0.367 -2.063 -8.251 55 2HB LYS 7 1HB LYS 7 1.259 -1.529 -7.905 56 1HG LYS 7 2HG LYS 7 -0.036 -3.964 -6.594 57 2HG LYS 7 1HG LYS 7 0.948 -4.061 -8.033 58 1HD LYS 7 2HD LYS 7 2.046 -2.753 -5.502 59 2HD LYS 7 1HD LYS 7 2.079 -4.486 -5.702 60 1HE LYS 7 2HE LYS 7 3.206 -2.663 -7.861 61 2HE LYS 7 1HE LYS 7 4.168 -3.149 -6.474 62 1HZ LYS 7 1HZ LYS 7 3.770 -5.445 -7.025 63 2HZ LYS 7 3HZ LYS 7 2.829 -4.993 -8.364 64 3HZ LYS 7 2HZ LYS 7 4.487 -4.628 -8.329 65 H CYS 8 H CYS 8 0.452 -1.101 -3.835 66 HA CYS 8 HA CYS 8 2.825 0.666 -4.224 67 1HB CYS 8 2HB CYS 8 2.142 1.963 -2.269 68 2HB CYS 8 1HB CYS 8 0.944 2.045 -3.523 69 H PHE 9 H PHE 9 4.473 0.356 -2.858 70 HA PHE 9 HA PHE 9 4.502 -2.205 -1.393 71 1HB PHE 9 2HB PHE 9 6.449 -0.652 -2.844 72 2HB PHE 9 1HB PHE 9 7.004 -0.726 -1.183 73 HD1 PHE 9 HD2 PHE 9 6.159 -2.726 -4.159 74 HD2 PHE 9 HD1 PHE 9 7.629 -2.860 -0.158 75 HE1 PHE 9 HE2 PHE 9 6.928 -5.027 -4.517 76 HE2 PHE 9 HE1 PHE 9 8.396 -5.162 -0.521 77 HZ PHE 9 HZ PHE 9 8.048 -6.249 -2.701 78 H GLN 10 H GLN 10 4.585 -2.385 0.725 79 HA GLN 10 HA GLN 10 3.635 -0.408 2.436 80 1HB GLN 10 2HB GLN 10 5.356 -2.800 3.207 81 2HB GLN 10 1HB GLN 10 4.224 -1.964 4.251 82 1HG GLN 10 2HG GLN 10 2.574 -2.608 2.102 83 2HG GLN 10 1HG GLN 10 3.704 -3.949 2.061 84 1HE2 GLN 10 2HE2 GLN 10 0.709 -4.328 4.502 85 2HE2 GLN 10 1HE2 GLN 10 0.749 -3.514 3.014 86 H HIS 11 H HIS 11 6.836 -1.213 1.459 87 HA HIS 11 HA HIS 11 8.306 0.234 3.458 88 1HB HIS 11 2HB HIS 11 9.048 -1.582 1.604 89 2HB HIS 11 1HB HIS 11 9.443 -0.139 0.683 90 HD1 HIS 11 HD1 HIS 11 11.138 1.512 2.001 91 HD2 HIS 11 HD2 HIS 11 10.823 -2.232 3.582 92 HE1 HIS 11 HE1 HIS 11 13.079 1.234 3.498 93 H LEU 12 H LEU 12 6.967 1.056 0.349 94 HA LEU 12 HA LEU 12 7.553 3.946 0.845 95 1HB LEU 12 2HB LEU 12 7.939 4.202 -1.604 96 2HB LEU 12 1HB LEU 12 9.114 3.156 -0.854 97 HG LEU 12 HG LEU 12 6.839 1.536 -1.765 98 1HD1 LEU 12 1HD1 LEU 12 6.558 3.423 -3.418 99 2HD1 LEU 12 3HD1 LEU 12 8.210 3.157 -3.948 100 3HD1 LEU 12 2HD1 LEU 12 6.999 1.905 -4.177 101 1HD2 LEU 12 3HD2 LEU 12 9.764 1.655 -2.624 102 2HD2 LEU 12 2HD2 LEU 12 9.100 0.631 -1.362 103 3HD2 LEU 12 1HD2 LEU 12 8.648 0.364 -3.034 104 H ASP 13 H ASP 13 5.346 3.322 1.798 105 HA ASP 13 HA ASP 13 3.079 3.042 0.031 106 1HB ASP 13 2HB ASP 13 1.788 3.847 2.142 107 2HB ASP 13 1HB ASP 13 2.720 2.376 2.308 108 H ASP 14 H ASP 14 3.226 4.507 -1.538 109 HA ASP 14 HA ASP 14 3.458 7.387 -1.038 110 1HB ASP 14 2HB ASP 14 3.482 7.426 -3.555 111 2HB ASP 14 1HB ASP 14 4.721 6.390 -2.872 112 H CYS 15 H CYS 15 1.005 5.482 -0.530 113 HA CYS 15 HA CYS 15 -1.126 6.453 -2.157 114 1HB CYS 15 2HB CYS 15 -1.371 5.374 0.641 115 2HB CYS 15 1HB CYS 15 -2.533 5.293 -0.648 116 H CYS 16 H CYS 16 -2.906 7.661 -1.498 117 HA CYS 16 HA CYS 16 -2.268 10.253 -0.461 118 1HB CYS 16 2HB CYS 16 -4.257 9.262 -2.011 119 2HB CYS 16 1HB CYS 16 -5.102 9.226 -0.492 120 H SER 17 H SER 17 -3.666 7.350 0.804 121 HA SER 17 HA SER 17 -4.148 8.399 3.498 122 1HB SER 17 2HB SER 17 -5.075 6.104 3.843 123 2HB SER 17 1HB SER 17 -5.756 6.800 2.370 124 HG SER 17 HG SER 17 -4.680 4.598 2.333 125 H ARG 18 H ARG 18 -1.621 7.113 1.747 126 HA ARG 18 HA ARG 18 0.478 6.259 2.225 127 1HB ARG 18 2HB ARG 18 -0.248 7.867 4.699 128 2HB ARG 18 1HB ARG 18 1.198 6.886 4.764 129 1HG ARG 18 2HG ARG 18 2.100 7.984 2.765 130 2HG ARG 18 1HG ARG 18 0.622 8.909 2.567 131 1HD ARG 18 2HD ARG 18 2.422 9.064 5.025 132 2HD ARG 18 1HD ARG 18 2.445 10.227 3.708 133 HE ARG 18 HE ARG 18 0.286 9.901 5.706 134 1HH1 ARG 18 2HH1 ARG 18 -0.950 10.274 3.047 135 2HH1 ARG 18 1HH1 ARG 18 -1.049 11.999 2.904 136 1HH2 ARG 18 1HH2 ARG 18 1.263 12.533 5.486 137 2HH2 ARG 18 2HH2 ARG 18 0.242 13.314 4.324 138 H LYS 19 H LYS 19 -1.973 4.712 2.765 139 HA LYS 19 HA LYS 19 -0.852 2.638 4.587 140 1HB LYS 19 2HB LYS 19 -3.610 3.796 4.282 141 2HB LYS 19 1HB LYS 19 -3.481 2.087 4.613 142 1HG LYS 19 2HG LYS 19 -1.914 4.071 6.293 143 2HG LYS 19 1HG LYS 19 -3.614 3.819 6.617 144 1HD LYS 19 2HD LYS 19 -1.774 1.415 6.384 145 2HD LYS 19 1HD LYS 19 -1.812 2.335 7.873 146 1HE LYS 19 2HE LYS 19 -4.163 1.889 8.206 147 2HE LYS 19 1HE LYS 19 -4.350 1.249 6.579 148 1HZ LYS 19 2HZ LYS 19 -2.485 0.023 8.497 149 2HZ LYS 19 1HZ LYS 19 -4.135 -0.383 8.479 150 3HZ LYS 19 3HZ LYS 19 -3.179 -0.654 7.101 151 H CYS 20 H CYS 20 -0.357 0.837 3.584 152 HA CYS 20 HA CYS 20 -1.700 0.125 1.042 153 1HB CYS 20 2HB CYS 20 1.155 -0.218 2.016 154 2HB CYS 20 1HB CYS 20 0.529 -1.024 0.614 155 H ASN 21 H ASN 21 -2.941 -1.580 1.343 156 HA ASN 21 HA ASN 21 -2.948 -3.167 3.743 157 1HB ASN 21 2HB ASN 21 -4.673 -4.556 2.363 158 2HB ASN 21 1HB ASN 21 -5.060 -2.879 2.671 159 1HD2 ASN 21 2HD2 ASN 21 -3.602 -3.577 -1.104 160 2HD2 ASN 21 1HD2 ASN 21 -2.772 -4.181 0.245 161 H ARG 22 H ARG 22 -3.204 -5.620 3.446 162 HA ARG 22 HA ARG 22 -0.704 -6.765 3.091 163 1HB ARG 22 2HB ARG 22 -1.912 -8.906 3.412 164 2HB ARG 22 1HB ARG 22 -2.455 -7.679 4.537 165 1HG ARG 22 2HG ARG 22 -4.358 -7.169 2.863 166 2HG ARG 22 1HG ARG 22 -3.861 -8.611 2.003 167 1HD ARG 22 2HD ARG 22 -4.236 -9.089 4.914 168 2HD ARG 22 1HD ARG 22 -5.692 -8.540 4.099 169 HE ARG 22 HE ARG 22 -5.689 -10.523 2.782 170 1HH1 ARG 22 2HH1 ARG 22 -2.772 -10.649 2.220 171 2HH1 ARG 22 1HH1 ARG 22 -2.279 -12.059 3.101 172 1HH2 ARG 22 1HH2 ARG 22 -5.197 -12.102 5.043 173 2HH2 ARG 22 2HH2 ARG 22 -3.689 -12.902 4.745 174 H PHE 23 H PHE 23 -3.049 -6.052 0.687 175 HA PHE 23 HA PHE 23 -2.106 -8.064 -1.224 176 1HB PHE 23 2HB PHE 23 -4.087 -5.797 -1.660 177 2HB PHE 23 1HB PHE 23 -3.927 -7.286 -2.565 178 HD1 PHE 23 HD1 PHE 23 -4.253 -9.520 -1.206 179 HD2 PHE 23 HD2 PHE 23 -5.659 -5.716 0.106 180 HE1 PHE 23 HE1 PHE 23 -5.848 -10.624 0.296 181 HE2 PHE 23 HE2 PHE 23 -7.251 -6.824 1.606 182 HZ PHE 23 HZ PHE 23 -7.349 -9.279 1.705 183 H ASN 24 H ASN 24 -0.583 -5.643 -0.109 184 HA ASN 24 HA ASN 24 0.927 -4.047 -0.806 185 1HB ASN 24 2HB ASN 24 1.086 -5.943 -3.218 186 2HB ASN 24 1HB ASN 24 2.308 -4.756 -2.789 187 1HD2 ASN 24 2HD2 ASN 24 1.904 -8.106 -0.442 188 2HD2 ASN 24 1HD2 ASN 24 0.586 -7.592 -1.379 189 H LYS 25 H LYS 25 -1.703 -3.500 -1.338 190 HA LYS 25 HA LYS 25 -1.514 -1.653 -3.668 191 1HB LYS 25 2HB LYS 25 -3.630 -3.644 -2.863 192 2HB LYS 25 1HB LYS 25 -4.177 -2.118 -3.506 193 1HG LYS 25 2HG LYS 25 -2.774 -2.496 -5.542 194 2HG LYS 25 1HG LYS 25 -2.177 -3.995 -4.862 195 1HD LYS 25 2HD LYS 25 -5.152 -3.494 -5.311 196 2HD LYS 25 1HD LYS 25 -4.122 -4.155 -6.565 197 1HE LYS 25 2HE LYS 25 -3.447 -5.998 -4.936 198 2HE LYS 25 1HE LYS 25 -4.681 -5.386 -3.841 199 1HZ LYS 25 2HZ LYS 25 -6.307 -5.697 -5.628 200 2HZ LYS 25 1HZ LYS 25 -5.102 -6.426 -6.575 201 3HZ LYS 25 3HZ LYS 25 -5.582 -7.144 -5.113 202 H CYS 26 H CYS 26 -2.971 0.295 -3.307 203 HA CYS 26 HA CYS 26 -2.525 1.260 -0.623 204 1HB CYS 26 2HB CYS 26 -3.927 2.382 -3.035 205 2HB CYS 26 1HB CYS 26 -3.825 3.246 -1.533 206 H VAL 27 H VAL 27 -4.297 2.442 0.468 207 HA VAL 27 HA VAL 27 -6.830 0.855 0.547 208 HB VAL 27 HB VAL 27 -5.322 1.981 2.949 209 1HG1 VAL 27 1HG1 VAL 27 -7.705 0.085 2.650 210 2HG1 VAL 27 3HG1 VAL 27 -6.850 0.312 4.167 211 3HG1 VAL 27 2HG1 VAL 27 -7.707 1.659 3.435 212 1HG2 VAL 27 1HG2 VAL 27 -5.372 -0.850 1.813 213 2HG2 VAL 27 3HG2 VAL 27 -3.959 0.175 1.958 214 3HG2 VAL 27 2HG2 VAL 27 -4.729 -0.455 3.399 No H/Q in entry = 214 Start of MODEL 2 1 1H CYS 1 2H CYS 1 -1.789 12.648 -5.744 2 2H CYS 1 1H CYS 1 -0.810 13.461 -4.618 3 3H CYS 1 3H CYS 1 -0.108 12.415 -5.758 4 HA CYS 1 HA CYS 1 -0.124 11.224 -3.768 5 1HB CYS 1 2HB CYS 1 -1.830 11.306 -2.207 6 2HB CYS 1 1HB CYS 1 -1.970 12.900 -2.881 7 H ARG 2 H ARG 2 -0.508 8.994 -3.820 8 HA ARG 2 HA ARG 2 -1.510 7.974 -6.352 9 1HB ARG 2 2HB ARG 2 0.464 7.068 -4.941 10 2HB ARG 2 1HB ARG 2 -0.743 6.351 -3.907 11 1HG ARG 2 2HG ARG 2 -0.398 4.564 -5.284 12 2HG ARG 2 1HG ARG 2 -1.699 5.337 -6.169 13 1HD ARG 2 2HD ARG 2 1.232 5.941 -6.765 14 2HD ARG 2 1HD ARG 2 0.364 4.628 -7.548 15 HE ARG 2 HE ARG 2 -1.320 6.461 -8.242 16 1HH1 ARG 2 1HH2 ARG 2 0.515 8.498 -6.830 17 2HH1 ARG 2 2HH2 ARG 2 1.309 9.212 -8.195 18 1HH2 ARG 2 2HH1 ARG 2 0.309 6.644 -10.364 19 2HH2 ARG 2 1HH1 ARG 2 1.189 8.131 -10.254 20 H ILE 3 H ILE 3 -3.412 7.114 -6.790 21 HA ILE 3 HA ILE 3 -5.667 7.541 -5.140 22 HB ILE 3 HB ILE 3 -6.877 6.423 -6.987 23 1HG1 ILE 3 2HG1 ILE 3 -4.121 5.414 -7.834 24 2HG1 ILE 3 1HG1 ILE 3 -5.459 4.432 -7.271 25 1HG2 ILE 3 2HG2 ILE 3 -5.565 8.729 -7.244 26 2HG2 ILE 3 1HG2 ILE 3 -4.574 7.820 -8.370 27 3HG2 ILE 3 3HG2 ILE 3 -6.299 7.996 -8.653 28 1HD1 ILE 3 3HD1 ILE 3 -6.581 5.850 -9.421 29 2HD1 ILE 3 2HD1 ILE 3 -4.955 5.464 -9.958 30 3HD1 ILE 3 1HD1 ILE 3 -6.042 4.184 -9.440 31 HA HYP 4 HA HYP 4 -5.977 3.982 -2.544 32 1HB HYP 4 1HB HYP 4 -8.082 4.097 -1.721 33 2HB HYP 4 2HB HYP 4 -8.726 3.284 -3.138 34 1HD HYP 4 1HD1 HYP 4 -7.308 7.108 -3.704 35 2HD HYP 4 2HD1 HYP 4 -7.949 6.350 -5.168 36 HOD HYP 4 HD2 HYP 4 -9.751 6.694 -2.274 37 HG HYP 4 HG HYP 4 -9.623 5.324 -3.881 38 H ASN 5 H ASN 5 -6.315 1.696 -2.515 39 HA ASN 5 HA ASN 5 -5.854 -0.412 -3.303 40 1HB ASN 5 2HB ASN 5 -7.567 -1.281 -4.616 41 2HB ASN 5 1HB ASN 5 -8.307 0.230 -4.150 42 1HD2 ASN 5 2HD2 ASN 5 -8.478 1.472 -7.450 43 2HD2 ASN 5 1HD2 ASN 5 -8.746 1.792 -5.805 44 H GLN 6 H GLN 6 -4.391 2.049 -4.751 45 HA GLN 6 HA GLN 6 -3.458 0.728 -7.178 46 1HB GLN 6 2HB GLN 6 -3.708 3.299 -6.651 47 2HB GLN 6 1HB GLN 6 -2.141 3.123 -5.894 48 1HG GLN 6 2HG GLN 6 -1.706 3.778 -8.164 49 2HG GLN 6 1HG GLN 6 -1.330 2.064 -8.096 50 1HE2 GLN 6 2HE2 GLN 6 -3.293 2.399 -11.146 51 2HE2 GLN 6 1HE2 GLN 6 -1.733 2.742 -10.571 52 H LYS 7 H LYS 7 -1.547 -0.226 -7.509 53 HA LYS 7 HA LYS 7 -0.297 -1.713 -5.515 54 1HB LYS 7 2HB LYS 7 -0.098 -2.099 -7.987 55 2HB LYS 7 1HB LYS 7 0.980 -0.725 -8.087 56 1HG LYS 7 2HG LYS 7 2.737 -2.084 -7.598 57 2HG LYS 7 1HG LYS 7 2.080 -2.338 -6.000 58 1HD LYS 7 2HD LYS 7 2.264 -4.511 -6.825 59 2HD LYS 7 1HD LYS 7 0.569 -4.142 -7.064 60 1HE LYS 7 2HE LYS 7 0.796 -3.971 -9.406 61 2HE LYS 7 1HE LYS 7 2.486 -3.500 -9.327 62 1HZ LYS 7 2HZ LYS 7 2.909 -5.811 -8.486 63 2HZ LYS 7 1HZ LYS 7 1.329 -6.185 -8.987 64 3HZ LYS 7 3HZ LYS 7 2.477 -5.655 -10.121 65 H CYS 8 H CYS 8 0.808 -1.096 -3.844 66 HA CYS 8 HA CYS 8 2.902 0.998 -4.072 67 1HB CYS 8 2HB CYS 8 2.150 1.985 -1.951 68 2HB CYS 8 1HB CYS 8 0.991 2.168 -3.232 69 H PHE 9 H PHE 9 4.476 0.894 -2.470 70 HA PHE 9 HA PHE 9 4.813 -1.827 -1.294 71 1HB PHE 9 2HB PHE 9 6.823 0.306 -2.098 72 2HB PHE 9 1HB PHE 9 7.266 -1.200 -1.299 73 HD1 PHE 9 HD1 PHE 9 5.640 0.201 -4.353 74 HD2 PHE 9 HD2 PHE 9 7.339 -3.256 -2.529 75 HE1 PHE 9 HE1 PHE 9 5.563 -0.970 -6.503 76 HE2 PHE 9 HE2 PHE 9 7.262 -4.425 -4.682 77 HZ PHE 9 HZ PHE 9 6.374 -3.288 -6.674 78 H GLN 10 H GLN 10 5.560 -2.103 0.767 79 HA GLN 10 HA GLN 10 4.563 -0.352 2.727 80 1HB GLN 10 2HB GLN 10 6.406 -2.748 2.749 81 2HB GLN 10 1HB GLN 10 6.047 -1.921 4.249 82 1HG GLN 10 2HG GLN 10 3.930 -2.781 4.382 83 2HG GLN 10 1HG GLN 10 3.576 -2.422 2.706 84 1HE2 GLN 10 2HE2 GLN 10 3.327 -6.003 2.709 85 2HE2 GLN 10 1HE2 GLN 10 2.434 -4.611 3.090 86 H HIS 11 H HIS 11 7.607 -0.774 1.209 87 HA HIS 11 HA HIS 11 9.187 0.917 2.965 88 1HB HIS 11 2HB HIS 11 9.639 -0.878 0.724 89 2HB HIS 11 1HB HIS 11 10.386 0.654 0.328 90 HD1 HIS 11 HD1 HIS 11 12.749 0.460 0.998 91 HD2 HIS 11 HD2 HIS 11 10.396 -1.354 3.798 92 HE1 HIS 11 HE1 HIS 11 14.265 -0.322 2.777 93 H LEU 12 H LEU 12 7.723 1.207 -0.208 94 HA LEU 12 HA LEU 12 7.970 4.195 -0.091 95 1HB LEU 12 2HB LEU 12 7.752 2.331 -2.503 96 2HB LEU 12 1HB LEU 12 7.827 4.078 -2.601 97 HG LEU 12 HG LEU 12 10.019 2.353 -1.339 98 1HD1 LEU 12 3HD1 LEU 12 9.801 1.911 -3.773 99 2HD1 LEU 12 2HD1 LEU 12 9.921 3.634 -4.100 100 3HD1 LEU 12 1HD1 LEU 12 11.289 2.768 -3.419 101 1HD2 LEU 12 1HD2 LEU 12 9.702 5.325 -1.861 102 2HD2 LEU 12 3HD2 LEU 12 10.334 4.516 -0.436 103 3HD2 LEU 12 2HD2 LEU 12 11.306 4.613 -1.891 104 H ASP 13 H ASP 13 6.099 3.854 1.328 105 HA ASP 13 HA ASP 13 3.523 3.184 0.047 106 1HB ASP 13 2HB ASP 13 2.623 3.824 2.387 107 2HB ASP 13 1HB ASP 13 3.706 2.449 2.339 108 H ASP 14 H ASP 14 3.714 4.778 -1.551 109 HA ASP 14 HA ASP 14 3.574 7.624 -0.844 110 1HB ASP 14 2HB ASP 14 3.561 7.823 -3.391 111 2HB ASP 14 1HB ASP 14 4.973 7.033 -2.725 112 H CYS 15 H CYS 15 1.338 5.538 -0.354 113 HA CYS 15 HA CYS 15 -0.874 6.228 -2.019 114 1HB CYS 15 2HB CYS 15 -0.769 5.124 0.772 115 2HB CYS 15 1HB CYS 15 -2.196 5.192 -0.220 116 H CYS 16 H CYS 16 -2.660 7.469 -1.586 117 HA CYS 16 HA CYS 16 -2.168 10.080 -0.497 118 1HB CYS 16 2HB CYS 16 -4.026 9.051 -2.189 119 2HB CYS 16 1HB CYS 16 -4.976 9.016 -0.735 120 H SER 17 H SER 17 -3.562 7.131 0.649 121 HA SER 17 HA SER 17 -4.361 8.141 3.270 122 1HB SER 17 2HB SER 17 -5.021 5.730 3.588 123 2HB SER 17 1HB SER 17 -5.702 6.354 2.084 124 HG SER 17 HG SER 17 -3.360 5.606 1.384 125 H ARG 18 H ARG 18 -1.677 6.786 1.683 126 HA ARG 18 HA ARG 18 0.471 6.303 2.300 127 1HB ARG 18 2HB ARG 18 -0.350 8.243 4.169 128 2HB ARG 18 1HB ARG 18 0.202 6.953 5.206 129 1HG ARG 18 2HG ARG 18 2.359 7.415 4.763 130 2HG ARG 18 1HG ARG 18 2.115 7.320 3.033 131 1HD ARG 18 2HD ARG 18 1.480 9.782 4.718 132 2HD ARG 18 1HD ARG 18 2.910 9.582 3.711 133 HE ARG 18 HE ARG 18 0.203 9.374 2.468 134 1HH1 ARG 18 1HH2 ARG 18 1.862 9.341 0.360 135 2HH1 ARG 18 2HH2 ARG 18 2.340 10.971 0.017 136 1HH2 ARG 18 2HH1 ARG 18 1.391 12.127 3.187 137 2HH2 ARG 18 1HH1 ARG 18 2.065 12.592 1.660 138 H LYS 19 H LYS 19 -2.140 4.701 3.233 139 HA LYS 19 HA LYS 19 -0.742 2.605 4.807 140 1HB LYS 19 2HB LYS 19 -3.631 3.483 4.535 141 2HB LYS 19 1HB LYS 19 -3.216 1.923 5.197 142 1HG LYS 19 2HG LYS 19 -2.151 2.849 7.099 143 2HG LYS 19 1HG LYS 19 -1.827 4.375 6.307 144 1HD LYS 19 2HD LYS 19 -3.561 4.948 7.774 145 2HD LYS 19 1HD LYS 19 -4.441 4.685 6.283 146 1HE LYS 19 2HE LYS 19 -5.116 2.446 7.021 147 2HE LYS 19 1HE LYS 19 -4.050 2.538 8.418 148 1HZ LYS 19 3HZ LYS 19 -6.113 4.587 8.044 149 2HZ LYS 19 2HZ LYS 19 -6.538 3.064 8.670 150 3HZ LYS 19 1HZ LYS 19 -5.388 4.023 9.474 151 H CYS 20 H CYS 20 -0.289 0.744 3.791 152 HA CYS 20 HA CYS 20 -1.705 0.041 1.280 153 1HB CYS 20 2HB CYS 20 1.173 -0.276 2.149 154 2HB CYS 20 1HB CYS 20 0.503 -1.087 0.770 155 H ASN 21 H ASN 21 -2.897 -1.703 1.535 156 HA ASN 21 HA ASN 21 -2.783 -3.400 3.872 157 1HB ASN 21 2HB ASN 21 -4.506 -4.781 2.522 158 2HB ASN 21 1HB ASN 21 -4.930 -3.113 2.855 159 1HD2 ASN 21 2HD2 ASN 21 -3.514 -3.684 -0.955 160 2HD2 ASN 21 1HD2 ASN 21 -2.623 -4.252 0.363 161 H ARG 22 H ARG 22 -2.913 -5.892 3.501 162 HA ARG 22 HA ARG 22 -0.355 -6.823 2.871 163 1HB ARG 22 2HB ARG 22 -1.230 -9.002 3.444 164 2HB ARG 22 1HB ARG 22 -1.975 -7.832 4.507 165 1HG ARG 22 2HG ARG 22 -4.003 -7.800 3.015 166 2HG ARG 22 1HG ARG 22 -3.261 -9.034 2.012 167 1HD ARG 22 2HD ARG 22 -4.606 -10.324 3.457 168 2HD ARG 22 1HD ARG 22 -3.040 -10.407 4.254 169 HE ARG 22 HE ARG 22 -4.542 -8.133 5.203 170 1HH1 ARG 22 2HH1 ARG 22 -6.293 -10.710 5.178 171 2HH1 ARG 22 1HH1 ARG 22 -6.089 -11.227 6.819 172 1HH2 ARG 22 1HH2 ARG 22 -3.352 -9.116 7.366 173 2HH2 ARG 22 2HH2 ARG 22 -4.386 -10.306 8.085 174 H PHE 23 H PHE 23 -2.870 -6.081 0.810 175 HA PHE 23 HA PHE 23 -2.244 -8.074 -1.276 176 1HB PHE 23 2HB PHE 23 -4.357 -5.964 -0.826 177 2HB PHE 23 1HB PHE 23 -4.012 -6.423 -2.482 178 HD1 PHE 23 HD2 PHE 23 -4.960 -7.812 0.842 179 HD2 PHE 23 HD1 PHE 23 -4.849 -8.455 -3.368 180 HE1 PHE 23 HE2 PHE 23 -6.343 -9.820 1.112 181 HE2 PHE 23 HE1 PHE 23 -6.234 -10.459 -3.099 182 HZ PHE 23 HZ PHE 23 -6.984 -11.148 -0.859 183 H ASN 24 H ASN 24 -0.666 -5.579 -0.180 184 HA ASN 24 HA ASN 24 0.867 -4.047 -0.961 185 1HB ASN 24 2HB ASN 24 0.924 -5.607 -3.590 186 2HB ASN 24 1HB ASN 24 2.265 -4.836 -2.760 187 1HD2 ASN 24 2HD2 ASN 24 1.895 -8.666 -2.193 188 2HD2 ASN 24 1HD2 ASN 24 1.488 -7.776 -3.579 189 H LYS 25 H LYS 25 -1.785 -3.464 -1.282 190 HA LYS 25 HA LYS 25 -1.765 -1.568 -3.576 191 1HB LYS 25 2HB LYS 25 -3.843 -3.551 -2.654 192 2HB LYS 25 1HB LYS 25 -4.390 -2.019 -3.265 193 1HG LYS 25 2HG LYS 25 -2.979 -2.458 -5.348 194 2HG LYS 25 1HG LYS 25 -2.611 -4.043 -4.699 195 1HD LYS 25 2HD LYS 25 -5.493 -3.114 -5.060 196 2HD LYS 25 1HD LYS 25 -4.603 -3.858 -6.373 197 1HE LYS 25 2HE LYS 25 -4.163 -5.848 -4.859 198 2HE LYS 25 1HE LYS 25 -5.209 -5.095 -3.659 199 1HZ LYS 25 3HZ LYS 25 -6.752 -4.996 -5.826 200 2HZ LYS 25 2HZ LYS 25 -5.888 -6.431 -6.116 201 3HZ LYS 25 1HZ LYS 25 -6.778 -6.250 -4.680 202 H CYS 26 H CYS 26 -3.102 0.399 -3.090 203 HA CYS 26 HA CYS 26 -2.613 1.255 -0.377 204 1HB CYS 26 2HB CYS 26 -4.143 2.517 -2.670 205 2HB CYS 26 1HB CYS 26 -3.811 3.315 -1.166 206 H VAL 27 H VAL 27 -4.328 2.337 0.844 207 HA VAL 27 HA VAL 27 -6.884 0.783 0.836 208 HB VAL 27 HB VAL 27 -5.346 1.736 3.293 209 1HG1 VAL 27 2HG1 VAL 27 -7.860 0.132 2.836 210 2HG1 VAL 27 1HG1 VAL 27 -6.835 -0.364 4.170 211 3HG1 VAL 27 3HG1 VAL 27 -7.481 1.264 4.125 212 1HG2 VAL 27 3HG2 VAL 27 -5.288 -0.970 1.893 213 2HG2 VAL 27 2HG2 VAL 27 -3.921 0.086 2.174 214 3HG2 VAL 27 1HG2 VAL 27 -4.682 -0.726 3.523 No H/Q in entry = 214 Start of MODEL 3 1 1H CYS 1 3H CYS 1 -0.727 12.754 -4.990 2 2H CYS 1 2H CYS 1 0.501 12.979 -3.838 3 3H CYS 1 1H CYS 1 0.624 11.724 -4.977 4 HA CYS 1 HA CYS 1 -0.006 10.818 -2.863 5 1HB CYS 1 2HB CYS 1 -1.559 11.858 -1.531 6 2HB CYS 1 1HB CYS 1 -1.321 13.221 -2.565 7 H ARG 2 H ARG 2 -0.412 8.876 -3.649 8 HA ARG 2 HA ARG 2 -1.880 8.408 -6.095 9 1HB ARG 2 2HB ARG 2 -0.227 6.837 -4.201 10 2HB ARG 2 1HB ARG 2 -1.458 5.898 -4.987 11 1HG ARG 2 2HG ARG 2 -0.087 7.651 -6.928 12 2HG ARG 2 1HG ARG 2 1.073 6.715 -6.028 13 1HD ARG 2 2HD ARG 2 0.565 4.843 -7.205 14 2HD ARG 2 1HD ARG 2 -1.134 4.966 -6.781 15 HE ARG 2 HE ARG 2 0.126 6.004 -9.237 16 1HH1 ARG 2 2HH1 ARG 2 -1.811 7.985 -8.009 17 2HH1 ARG 2 1HH1 ARG 2 -3.287 7.571 -8.815 18 1HH2 ARG 2 1HH2 ARG 2 -2.064 4.479 -9.913 19 2HH2 ARG 2 2HH2 ARG 2 -3.432 5.541 -9.919 20 H ILE 3 H ILE 3 -3.541 6.827 -6.375 21 HA ILE 3 HA ILE 3 -5.785 7.358 -4.636 22 HB ILE 3 HB ILE 3 -6.922 5.753 -6.311 23 1HG1 ILE 3 2HG1 ILE 3 -4.706 6.171 -8.259 24 2HG1 ILE 3 1HG1 ILE 3 -4.296 5.048 -6.985 25 1HG2 ILE 3 1HG2 ILE 3 -5.547 8.285 -7.297 26 2HG2 ILE 3 3HG2 ILE 3 -6.909 7.513 -8.096 27 3HG2 ILE 3 2HG2 ILE 3 -7.105 8.190 -6.490 28 1HD1 ILE 3 2HD1 ILE 3 -6.794 4.855 -8.695 29 2HD1 ILE 3 1HD1 ILE 3 -5.330 3.914 -8.936 30 3HD1 ILE 3 3HD1 ILE 3 -6.276 3.699 -7.473 31 HA HYP 4 HA HYP 4 -5.918 3.554 -2.195 32 1HB HYP 4 1HB HYP 4 -8.070 3.356 -1.399 33 2HB HYP 4 2HB HYP 4 -8.752 3.261 -3.011 34 1HD HYP 4 1HD1 HYP 4 -7.014 6.907 -2.874 35 2HD HYP 4 2HD1 HYP 4 -7.944 6.291 -4.251 36 HOD HYP 4 HD2 HYP 4 -8.616 5.304 -0.435 37 HG HYP 4 HG HYP 4 -9.452 5.492 -2.565 38 H ASN 5 H ASN 5 -6.248 1.359 -2.420 39 HA ASN 5 HA ASN 5 -5.976 -0.697 -3.373 40 1HB ASN 5 2HB ASN 5 -7.733 -1.330 -4.672 41 2HB ASN 5 1HB ASN 5 -8.326 0.273 -4.328 42 1HD2 ASN 5 2HD2 ASN 5 -8.575 -0.498 -7.996 43 2HD2 ASN 5 1HD2 ASN 5 -9.058 -1.330 -6.599 44 H GLN 6 H GLN 6 -4.583 1.926 -5.000 45 HA GLN 6 HA GLN 6 -3.564 0.495 -7.281 46 1HB GLN 6 2HB GLN 6 -3.735 2.998 -7.110 47 2HB GLN 6 1HB GLN 6 -2.442 2.990 -5.929 48 1HG GLN 6 2HG GLN 6 -1.544 3.473 -8.195 49 2HG GLN 6 1HG GLN 6 -0.916 1.940 -7.629 50 1HE2 GLN 6 2HE2 GLN 6 -3.636 2.027 -10.710 51 2HE2 GLN 6 1HE2 GLN 6 -3.511 3.358 -9.665 52 H LYS 7 H LYS 7 -1.793 -0.685 -7.521 53 HA LYS 7 HA LYS 7 -0.578 -2.039 -5.430 54 1HB LYS 7 2HB LYS 7 -0.590 -2.590 -7.937 55 2HB LYS 7 1HB LYS 7 0.779 -1.514 -8.098 56 1HG LYS 7 2HG LYS 7 1.737 -3.690 -7.824 57 2HG LYS 7 1HG LYS 7 1.946 -2.911 -6.274 58 1HD LYS 7 2HD LYS 7 1.081 -4.959 -5.567 59 2HD LYS 7 1HD LYS 7 -0.418 -4.070 -5.722 60 1HE LYS 7 2HE LYS 7 -0.556 -4.965 -8.130 61 2HE LYS 7 1HE LYS 7 0.733 -6.072 -7.673 62 1HZ LYS 7 3HZ LYS 7 -0.662 -6.814 -5.821 63 2HZ LYS 7 2HZ LYS 7 -1.913 -5.807 -6.371 64 3HZ LYS 7 1HZ LYS 7 -1.377 -7.100 -7.334 65 H CYS 8 H CYS 8 0.437 -1.184 -3.810 66 HA CYS 8 HA CYS 8 2.873 0.472 -4.237 67 1HB CYS 8 2HB CYS 8 2.233 1.877 -2.330 68 2HB CYS 8 1HB CYS 8 1.101 2.006 -3.644 69 H PHE 9 H PHE 9 4.402 0.294 -2.560 70 HA PHE 9 HA PHE 9 4.333 -2.328 -1.210 71 1HB PHE 9 2HB PHE 9 6.587 -0.291 -1.280 72 2HB PHE 9 1HB PHE 9 6.714 -1.974 -0.817 73 HD1 PHE 9 HD2 PHE 9 6.612 -3.756 -2.517 74 HD2 PHE 9 HD1 PHE 9 6.307 0.342 -3.660 75 HE1 PHE 9 HE2 PHE 9 7.002 -4.376 -4.859 76 HE2 PHE 9 HE1 PHE 9 6.698 -0.281 -5.997 77 HZ PHE 9 HZ PHE 9 7.047 -2.639 -6.602 78 H GLN 10 H GLN 10 4.629 -2.669 0.919 79 HA GLN 10 HA GLN 10 3.286 -1.078 2.761 80 1HB GLN 10 2HB GLN 10 5.473 -3.057 3.502 81 2HB GLN 10 1HB GLN 10 4.080 -2.620 4.463 82 1HG GLN 10 2HG GLN 10 4.059 -4.230 1.869 83 2HG GLN 10 1HG GLN 10 3.682 -4.810 3.477 84 1HE2 GLN 10 2HE2 GLN 10 0.815 -2.969 1.298 85 2HE2 GLN 10 1HE2 GLN 10 2.374 -3.241 0.687 86 H HIS 11 H HIS 11 6.417 -0.744 1.574 87 HA HIS 11 HA HIS 11 7.331 1.007 3.809 88 1HB HIS 11 2HB HIS 11 9.178 0.259 1.538 89 2HB HIS 11 1HB HIS 11 9.528 0.412 3.253 90 HD1 HIS 11 HD1 HIS 11 8.630 -2.075 0.763 91 HD2 HIS 11 HD2 HIS 11 8.643 -1.890 4.838 92 HE1 HIS 11 HE1 HIS 11 8.421 -4.398 1.565 93 H LEU 12 H LEU 12 7.145 0.798 0.301 94 HA LEU 12 HA LEU 12 7.447 3.740 0.025 95 1HB LEU 12 2HB LEU 12 7.171 1.556 -2.093 96 2HB LEU 12 1HB LEU 12 7.530 3.234 -2.424 97 HG LEU 12 HG LEU 12 9.313 1.513 -0.636 98 1HD1 LEU 12 3HD1 LEU 12 9.594 2.069 -3.621 99 2HD1 LEU 12 2HD1 LEU 12 10.777 1.244 -2.621 100 3HD1 LEU 12 1HD1 LEU 12 9.209 0.512 -2.905 101 1HD2 LEU 12 1HD2 LEU 12 9.674 4.198 -2.043 102 2HD2 LEU 12 3HD2 LEU 12 9.689 3.900 -0.312 103 3HD2 LEU 12 2HD2 LEU 12 10.999 3.306 -1.314 104 H ASP 13 H ASP 13 5.406 3.638 1.353 105 HA ASP 13 HA ASP 13 2.901 3.110 -0.057 106 1HB ASP 13 2HB ASP 13 3.275 4.717 2.523 107 2HB ASP 13 1HB ASP 13 1.839 3.850 2.007 108 H ASP 14 H ASP 14 2.821 4.324 -1.807 109 HA ASP 14 HA ASP 14 3.414 7.204 -1.818 110 1HB ASP 14 2HB ASP 14 2.698 6.836 -4.304 111 2HB ASP 14 1HB ASP 14 4.187 6.083 -3.767 112 H CYS 15 H CYS 15 0.796 5.205 -1.237 113 HA CYS 15 HA CYS 15 -1.443 6.414 -2.340 114 1HB CYS 15 2HB CYS 15 -1.346 5.390 0.460 115 2HB CYS 15 1HB CYS 15 -2.664 5.234 -0.672 116 H CYS 16 H CYS 16 -3.014 7.776 -1.547 117 HA CYS 16 HA CYS 16 -2.019 10.227 -0.361 118 1HB CYS 16 2HB CYS 16 -4.097 9.675 -2.025 119 2HB CYS 16 1HB CYS 16 -4.973 9.631 -0.523 120 H SER 17 H SER 17 -3.831 7.427 0.630 121 HA SER 17 HA SER 17 -4.364 8.330 3.343 122 1HB SER 17 2HB SER 17 -5.564 6.248 3.513 123 2HB SER 17 1HB SER 17 -5.765 6.677 1.814 124 HG SER 17 HG SER 17 -4.938 4.496 2.305 125 H ARG 18 H ARG 18 -1.658 7.476 1.834 126 HA ARG 18 HA ARG 18 0.381 6.506 2.316 127 1HB ARG 18 2HB ARG 18 1.359 7.379 4.384 128 2HB ARG 18 1HB ARG 18 0.330 8.605 3.682 129 1HG ARG 18 2HG ARG 18 -1.414 8.218 5.318 130 2HG ARG 18 1HG ARG 18 -0.626 6.780 5.935 131 1HD ARG 18 2HD ARG 18 0.390 8.122 7.466 132 2HD ARG 18 1HD ARG 18 1.329 8.845 6.169 133 HE ARG 18 HE ARG 18 -1.027 10.012 7.465 134 1HH1 ARG 18 1HH2 ARG 18 -1.538 10.149 4.539 135 2HH1 ARG 18 2HH2 ARG 18 -0.787 11.646 4.095 136 1HH2 ARG 18 2HH1 ARG 18 1.086 11.814 7.052 137 2HH2 ARG 18 1HH1 ARG 18 0.739 12.613 5.556 138 H LYS 19 H LYS 19 -1.917 4.742 2.729 139 HA LYS 19 HA LYS 19 -0.641 2.726 4.495 140 1HB LYS 19 2HB LYS 19 -3.446 3.803 4.463 141 2HB LYS 19 1HB LYS 19 -3.247 2.095 4.735 142 1HG LYS 19 2HG LYS 19 -1.582 2.700 6.601 143 2HG LYS 19 1HG LYS 19 -2.047 4.377 6.368 144 1HD LYS 19 2HD LYS 19 -4.407 3.814 6.890 145 2HD LYS 19 1HD LYS 19 -3.984 2.119 7.055 146 1HE LYS 19 2HE LYS 19 -2.273 2.948 8.872 147 2HE LYS 19 1HE LYS 19 -3.228 4.426 8.866 148 1HZ LYS 19 2HZ LYS 19 -5.207 2.924 9.188 149 2HZ LYS 19 1HZ LYS 19 -4.094 1.690 9.543 150 3HZ LYS 19 3HZ LYS 19 -4.148 3.088 10.507 151 H CYS 20 H CYS 20 -0.252 0.883 3.479 152 HA CYS 20 HA CYS 20 -1.736 0.219 1.001 153 1HB CYS 20 2HB CYS 20 1.148 -0.242 1.840 154 2HB CYS 20 1HB CYS 20 0.426 -0.961 0.439 155 H ASN 21 H ASN 21 -2.912 -1.598 1.238 156 HA ASN 21 HA ASN 21 -2.942 -3.104 3.682 157 1HB ASN 21 2HB ASN 21 -4.652 -4.483 2.520 158 2HB ASN 21 1HB ASN 21 -4.939 -2.773 2.274 159 1HD2 ASN 21 2HD2 ASN 21 -5.341 -3.893 -1.076 160 2HD2 ASN 21 1HD2 ASN 21 -6.191 -3.579 0.359 161 H ARG 22 H ARG 22 -3.218 -5.671 3.177 162 HA ARG 22 HA ARG 22 -0.561 -6.601 3.001 163 1HB ARG 22 2HB ARG 22 -1.546 -8.780 3.515 164 2HB ARG 22 1HB ARG 22 -2.239 -7.543 4.528 165 1HG ARG 22 2HG ARG 22 -4.309 -8.117 3.858 166 2HG ARG 22 1HG ARG 22 -3.930 -7.655 2.216 167 1HD ARG 22 2HD ARG 22 -3.478 -9.856 1.553 168 2HD ARG 22 1HD ARG 22 -2.958 -10.364 3.156 169 HE ARG 22 HE ARG 22 -5.762 -10.157 2.230 170 1HH1 ARG 22 1HH2 ARG 22 -5.665 -9.239 5.009 171 2HH1 ARG 22 2HH2 ARG 22 -5.823 -10.706 5.917 172 1HH2 ARG 22 2HH1 ARG 22 -4.987 -12.723 3.176 173 2HH2 ARG 22 1HH1 ARG 22 -5.429 -12.731 4.850 174 H PHE 23 H PHE 23 -2.910 -6.121 0.603 175 HA PHE 23 HA PHE 23 -1.903 -8.187 -1.229 176 1HB PHE 23 2HB PHE 23 -3.944 -5.954 -1.610 177 2HB PHE 23 1HB PHE 23 -3.627 -7.256 -2.726 178 HD1 PHE 23 HD1 PHE 23 -4.191 -9.639 -2.060 179 HD2 PHE 23 HD2 PHE 23 -5.383 -6.285 0.284 180 HE1 PHE 23 HE1 PHE 23 -5.865 -11.024 -0.919 181 HE2 PHE 23 HE2 PHE 23 -7.052 -7.672 1.419 182 HZ PHE 23 HZ PHE 23 -7.298 -10.043 0.820 183 H ASN 24 H ASN 24 -0.510 -5.637 -0.118 184 HA ASN 24 HA ASN 24 0.980 -4.014 -0.817 185 1HB ASN 24 2HB ASN 24 1.244 -6.103 -3.058 186 2HB ASN 24 1HB ASN 24 2.308 -4.709 -2.938 187 1HD2 ASN 24 2HD2 ASN 24 3.911 -5.847 0.065 188 2HD2 ASN 24 1HD2 ASN 24 3.432 -4.436 -0.748 189 H LYS 25 H LYS 25 -1.658 -3.636 -1.330 190 HA LYS 25 HA LYS 25 -1.732 -1.920 -3.762 191 1HB LYS 25 2HB LYS 25 -3.755 -3.739 -2.445 192 2HB LYS 25 1HB LYS 25 -4.313 -2.322 -3.293 193 1HG LYS 25 2HG LYS 25 -3.379 -3.114 -5.400 194 2HG LYS 25 1HG LYS 25 -2.422 -4.327 -4.578 195 1HD LYS 25 2HD LYS 25 -4.355 -5.395 -5.641 196 2HD LYS 25 1HD LYS 25 -4.476 -5.545 -3.904 197 1HE LYS 25 2HE LYS 25 -5.864 -3.259 -5.359 198 2HE LYS 25 1HE LYS 25 -6.617 -4.835 -5.207 199 1HZ LYS 25 3HZ LYS 25 -5.730 -4.265 -2.689 200 2HZ LYS 25 2HZ LYS 25 -6.331 -2.785 -3.266 201 3HZ LYS 25 1HZ LYS 25 -7.328 -4.160 -3.253 202 H CYS 26 H CYS 26 -3.163 0.020 -3.391 203 HA CYS 26 HA CYS 26 -2.480 1.202 -0.814 204 1HB CYS 26 2HB CYS 26 -3.818 2.171 -3.315 205 2HB CYS 26 1HB CYS 26 -3.884 3.133 -1.872 206 H VAL 27 H VAL 27 -4.181 2.610 0.159 207 HA VAL 27 HA VAL 27 -6.796 1.210 0.482 208 HB VAL 27 HB VAL 27 -5.013 2.280 2.727 209 1HG1 VAL 27 2HG1 VAL 27 -7.754 0.955 2.685 210 2HG1 VAL 27 1HG1 VAL 27 -6.733 0.821 4.106 211 3HG1 VAL 27 3HG1 VAL 27 -7.254 2.399 3.553 212 1HG2 VAL 27 1HG2 VAL 27 -5.589 -0.585 1.822 213 2HG2 VAL 27 3HG2 VAL 27 -4.029 0.213 1.801 214 3HG2 VAL 27 2HG2 VAL 27 -4.783 -0.186 3.329 No H/Q in entry = 214 Start of MODEL 4 1 1H CYS 1 1H CYS 1 0.554 11.461 -5.366 2 2H CYS 1 3H CYS 1 -0.780 12.507 -5.350 3 3H CYS 1 2H CYS 1 0.508 12.762 -4.273 4 HA CYS 1 HA CYS 1 0.020 10.682 -3.156 5 1HB CYS 1 2HB CYS 1 -1.521 11.759 -1.851 6 2HB CYS 1 1HB CYS 1 -1.299 13.085 -2.941 7 H ARG 2 H ARG 2 -0.386 8.678 -3.806 8 HA ARG 2 HA ARG 2 -1.998 8.069 -6.154 9 1HB ARG 2 2HB ARG 2 -0.431 6.396 -4.167 10 2HB ARG 2 1HB ARG 2 -1.417 5.647 -5.408 11 1HG ARG 2 2HG ARG 2 -0.119 7.267 -7.048 12 2HG ARG 2 1HG ARG 2 1.009 7.444 -5.721 13 1HD ARG 2 2HD ARG 2 2.000 5.500 -6.345 14 2HD ARG 2 1HD ARG 2 0.512 4.623 -6.000 15 HE ARG 2 HE ARG 2 0.035 5.694 -8.487 16 1HH1 ARG 2 2HH1 ARG 2 1.014 2.841 -7.417 17 2HH1 ARG 2 1HH1 ARG 2 2.127 2.456 -8.687 18 1HH2 ARG 2 1HH2 ARG 2 2.111 5.726 -9.951 19 2HH2 ARG 2 2HH2 ARG 2 2.767 4.136 -10.161 20 H ILE 3 H ILE 3 -3.860 6.842 -6.295 21 HA ILE 3 HA ILE 3 -5.783 7.269 -4.205 22 HB ILE 3 HB ILE 3 -7.235 5.864 -5.805 23 1HG1 ILE 3 2HG1 ILE 3 -5.339 6.237 -8.052 24 2HG1 ILE 3 1HG1 ILE 3 -4.708 5.132 -6.864 25 1HG2 ILE 3 2HG2 ILE 3 -5.812 8.337 -6.864 26 2HG2 ILE 3 1HG2 ILE 3 -7.333 7.711 -7.481 27 3HG2 ILE 3 3HG2 ILE 3 -7.239 8.323 -5.839 28 1HD1 ILE 3 2HD1 ILE 3 -7.505 4.505 -7.399 29 2HD1 ILE 3 1HD1 ILE 3 -6.540 4.509 -8.865 30 3HD1 ILE 3 3HD1 ILE 3 -6.074 3.494 -7.515 31 HA HYP 4 HA HYP 4 -5.987 3.251 -2.060 32 1HB HYP 4 1HB HYP 4 -8.162 2.964 -1.365 33 2HB HYP 4 2HB HYP 4 -8.811 3.175 -2.981 34 1HD HYP 4 1HD1 HYP 4 -6.861 6.626 -2.255 35 2HD HYP 4 2HD1 HYP 4 -7.872 6.343 -3.682 36 HOD HYP 4 HD2 HYP 4 -8.008 6.223 -0.489 37 HG HYP 4 HG HYP 4 -9.407 5.339 -2.161 38 H ASN 5 H ASN 5 -6.167 1.108 -2.547 39 HA ASN 5 HA ASN 5 -5.943 -0.837 -3.731 40 1HB ASN 5 2HB ASN 5 -7.656 -1.302 -5.175 41 2HB ASN 5 1HB ASN 5 -8.264 0.249 -4.664 42 1HD2 ASN 5 2HD2 ASN 5 -8.402 -0.045 -8.395 43 2HD2 ASN 5 1HD2 ASN 5 -8.970 -1.002 -7.113 44 H GLN 6 H GLN 6 -4.565 1.985 -4.907 45 HA GLN 6 HA GLN 6 -3.392 1.024 -7.343 46 1HB GLN 6 2HB GLN 6 -3.637 3.450 -6.381 47 2HB GLN 6 1HB GLN 6 -2.125 3.137 -5.567 48 1HG GLN 6 2HG GLN 6 -0.926 3.395 -7.480 49 2HG GLN 6 1HG GLN 6 -1.983 2.349 -8.410 50 1HE2 GLN 6 2HE2 GLN 6 -2.575 6.392 -8.462 51 2HE2 GLN 6 1HE2 GLN 6 -1.502 5.696 -7.345 52 H LYS 7 H LYS 7 -1.791 -0.357 -7.618 53 HA LYS 7 HA LYS 7 -0.595 -1.933 -5.679 54 1HB LYS 7 2HB LYS 7 -0.180 -1.396 -8.533 55 2HB LYS 7 1HB LYS 7 1.353 -1.731 -7.765 56 1HG LYS 7 2HG LYS 7 -1.098 -3.501 -7.425 57 2HG LYS 7 1HG LYS 7 0.120 -3.772 -8.650 58 1HD LYS 7 2HD LYS 7 1.201 -3.405 -5.881 59 2HD LYS 7 1HD LYS 7 0.216 -4.838 -6.096 60 1HE LYS 7 2HE LYS 7 1.676 -5.624 -7.893 61 2HE LYS 7 1HE LYS 7 2.560 -4.102 -7.898 62 1HZ LYS 7 3HZ LYS 7 2.374 -5.644 -5.413 63 2HZ LYS 7 2HZ LYS 7 3.471 -6.129 -6.616 64 3HZ LYS 7 1HZ LYS 7 3.585 -4.576 -5.939 65 H CYS 8 H CYS 8 0.306 -1.162 -3.952 66 HA CYS 8 HA CYS 8 2.810 0.421 -4.161 67 1HB CYS 8 2HB CYS 8 2.097 1.908 -2.402 68 2HB CYS 8 1HB CYS 8 0.931 1.951 -3.688 69 H PHE 9 H PHE 9 4.338 -0.275 -2.834 70 HA PHE 9 HA PHE 9 3.784 -2.656 -1.180 71 1HB PHE 9 2HB PHE 9 5.787 -2.384 -2.822 72 2HB PHE 9 1HB PHE 9 6.502 -1.346 -1.599 73 HD1 PHE 9 HD1 PHE 9 4.907 -4.720 -1.939 74 HD2 PHE 9 HD2 PHE 9 7.801 -2.348 0.093 75 HE1 PHE 9 HE1 PHE 9 5.683 -6.704 -0.721 76 HE2 PHE 9 HE2 PHE 9 8.572 -4.333 1.309 77 HZ PHE 9 HZ PHE 9 7.516 -6.513 0.906 78 H GLN 10 H GLN 10 4.834 -2.831 0.912 79 HA GLN 10 HA GLN 10 3.866 -1.049 2.794 80 1HB GLN 10 2HB GLN 10 6.126 -3.091 2.895 81 2HB GLN 10 1HB GLN 10 5.623 -2.220 4.330 82 1HG GLN 10 2HG GLN 10 4.354 -4.243 4.396 83 2HG GLN 10 1HG GLN 10 3.208 -3.057 3.795 84 1HE2 GLN 10 2HE2 GLN 10 2.913 -4.569 0.597 85 2HE2 GLN 10 1HE2 GLN 10 2.571 -3.196 1.534 86 H HIS 11 H HIS 11 7.033 -1.264 1.354 87 HA HIS 11 HA HIS 11 8.112 1.072 2.766 88 1HB HIS 11 2HB HIS 11 9.205 -0.715 0.546 89 2HB HIS 11 1HB HIS 11 10.106 0.636 1.222 90 HD1 HIS 11 HD1 HIS 11 11.484 -0.042 3.176 91 HD2 HIS 11 HD2 HIS 11 8.333 -2.604 2.770 92 HE1 HIS 11 HE1 HIS 11 11.762 -1.765 4.919 93 H LEU 12 H LEU 12 6.812 0.225 -0.354 94 HA LEU 12 HA LEU 12 7.250 2.937 -1.466 95 1HB LEU 12 2HB LEU 12 5.911 0.488 -2.691 96 2HB LEU 12 1HB LEU 12 6.331 1.943 -3.559 97 HG LEU 12 HG LEU 12 8.377 0.157 -2.148 98 1HD1 LEU 12 2HD1 LEU 12 7.495 0.236 -5.064 99 2HD1 LEU 12 1HD1 LEU 12 8.948 -0.574 -4.505 100 3HD1 LEU 12 3HD1 LEU 12 7.377 -1.125 -3.962 101 1HD2 LEU 12 2HD2 LEU 12 8.582 2.565 -4.001 102 2HD2 LEU 12 1HD2 LEU 12 9.311 2.353 -2.417 103 3HD2 LEU 12 3HD2 LEU 12 9.921 1.449 -3.788 104 H ASP 13 H ASP 13 5.735 3.040 0.730 105 HA ASP 13 HA ASP 13 2.875 2.968 0.155 106 1HB ASP 13 2HB ASP 13 3.784 2.477 2.415 107 2HB ASP 13 1HB ASP 13 4.478 4.084 2.506 108 H ASP 14 H ASP 14 3.071 4.243 -1.714 109 HA ASP 14 HA ASP 14 3.569 7.132 -1.514 110 1HB ASP 14 2HB ASP 14 3.012 6.879 -4.070 111 2HB ASP 14 1HB ASP 14 4.511 6.211 -3.460 112 H CYS 15 H CYS 15 0.968 5.282 -0.820 113 HA CYS 15 HA CYS 15 -1.183 6.473 -2.208 114 1HB CYS 15 2HB CYS 15 -1.339 5.446 0.601 115 2HB CYS 15 1HB CYS 15 -2.558 5.385 -0.649 116 H CYS 16 H CYS 16 -2.826 7.756 -1.464 117 HA CYS 16 HA CYS 16 -1.983 10.303 -0.368 118 1HB CYS 16 2HB CYS 16 -3.884 9.562 -2.144 119 2HB CYS 16 1HB CYS 16 -4.880 9.573 -0.720 120 H SER 17 H SER 17 -3.606 7.462 0.660 121 HA SER 17 HA SER 17 -4.448 8.455 3.279 122 1HB SER 17 2HB SER 17 -5.310 6.107 3.481 123 2HB SER 17 1HB SER 17 -5.813 6.795 1.931 124 HG SER 17 HG SER 17 -4.070 5.807 0.960 125 H ARG 18 H ARG 18 -1.720 7.199 1.812 126 HA ARG 18 HA ARG 18 0.333 6.427 2.500 127 1HB ARG 18 2HB ARG 18 -0.640 7.994 4.952 128 2HB ARG 18 1HB ARG 18 0.862 7.106 5.047 129 1HG ARG 18 2HG ARG 18 1.612 9.182 4.326 130 2HG ARG 18 1HG ARG 18 1.492 8.316 2.810 131 1HD ARG 18 2HD ARG 18 -0.869 9.303 2.573 132 2HD ARG 18 1HD ARG 18 -0.494 10.326 3.955 133 HE ARG 18 HE ARG 18 1.611 10.889 2.389 134 1HH1 ARG 18 2HH1 ARG 18 1.314 10.606 -0.121 135 2HH1 ARG 18 1HH1 ARG 18 0.038 11.609 -0.724 136 1HH2 ARG 18 1HH2 ARG 18 -1.356 12.109 2.442 137 2HH2 ARG 18 2HH2 ARG 18 -1.505 12.478 0.755 138 H LYS 19 H LYS 19 -1.875 4.691 2.557 139 HA LYS 19 HA LYS 19 -0.942 2.682 4.513 140 1HB LYS 19 2HB LYS 19 -3.685 3.840 4.124 141 2HB LYS 19 1HB LYS 19 -3.557 2.128 4.432 142 1HG LYS 19 2HG LYS 19 -2.282 2.580 6.516 143 2HG LYS 19 1HG LYS 19 -2.310 4.302 6.176 144 1HD LYS 19 2HD LYS 19 -4.775 4.329 6.331 145 2HD LYS 19 1HD LYS 19 -4.804 2.595 6.594 146 1HE LYS 19 2HE LYS 19 -3.329 4.532 8.430 147 2HE LYS 19 1HE LYS 19 -4.971 3.980 8.722 148 1HZ LYS 19 3HZ LYS 19 -4.079 1.674 8.604 149 2HZ LYS 19 2HZ LYS 19 -2.516 2.337 8.601 150 3HZ LYS 19 1HZ LYS 19 -3.542 2.589 9.931 151 H CYS 20 H CYS 20 -0.397 0.892 3.516 152 HA CYS 20 HA CYS 20 -1.666 0.152 0.942 153 1HB CYS 20 2HB CYS 20 1.194 -0.033 1.927 154 2HB CYS 20 1HB CYS 20 0.620 -0.911 0.544 155 H ASN 21 H ASN 21 -2.902 -1.557 1.330 156 HA ASN 21 HA ASN 21 -2.774 -3.149 3.713 157 1HB ASN 21 2HB ASN 21 -4.513 -4.582 2.422 158 2HB ASN 21 1HB ASN 21 -4.931 -2.911 2.721 159 1HD2 ASN 21 2HD2 ASN 21 -3.613 -3.647 -1.098 160 2HD2 ASN 21 1HD2 ASN 21 -2.720 -4.218 0.223 161 H ARG 22 H ARG 22 -2.980 -5.568 3.482 162 HA ARG 22 HA ARG 22 -0.500 -6.716 3.055 163 1HB ARG 22 2HB ARG 22 -1.695 -8.856 3.435 164 2HB ARG 22 1HB ARG 22 -2.184 -7.614 4.565 165 1HG ARG 22 2HG ARG 22 -4.036 -7.190 2.564 166 2HG ARG 22 1HG ARG 22 -3.732 -8.900 2.340 167 1HD ARG 22 2HD ARG 22 -4.444 -7.668 5.042 168 2HD ARG 22 1HD ARG 22 -5.640 -8.350 3.947 169 HE ARG 22 HE ARG 22 -3.541 -9.876 5.390 170 1HH1 ARG 22 2HH1 ARG 22 -4.236 -10.770 2.529 171 2HH1 ARG 22 1HH1 ARG 22 -5.407 -12.004 2.854 172 1HH2 ARG 22 1HH2 ARG 22 -5.878 -10.968 6.165 173 2HH2 ARG 22 2HH2 ARG 22 -6.361 -12.120 4.965 174 H PHE 23 H PHE 23 -2.918 -6.065 0.711 175 HA PHE 23 HA PHE 23 -2.004 -8.106 -1.189 176 1HB PHE 23 2HB PHE 23 -4.085 -5.889 -1.424 177 2HB PHE 23 1HB PHE 23 -3.859 -7.217 -2.544 178 HD1 PHE 23 HD1 PHE 23 -3.989 -9.639 -1.517 179 HD2 PHE 23 HD2 PHE 23 -5.563 -6.173 0.405 180 HE1 PHE 23 HE1 PHE 23 -5.433 -11.059 -0.134 181 HE2 PHE 23 HE2 PHE 23 -7.006 -7.600 1.785 182 HZ PHE 23 HZ PHE 23 -6.944 -10.044 1.519 183 H ASN 24 H ASN 24 -0.492 -5.652 -0.151 184 HA ASN 24 HA ASN 24 0.989 -4.051 -0.900 185 1HB ASN 24 2HB ASN 24 1.136 -5.882 -3.357 186 2HB ASN 24 1HB ASN 24 2.398 -4.797 -2.788 187 1HD2 ASN 24 2HD2 ASN 24 3.431 -6.950 -0.139 188 2HD2 ASN 24 1HD2 ASN 24 3.453 -5.350 -0.704 189 H LYS 25 H LYS 25 -1.645 -3.499 -1.341 190 HA LYS 25 HA LYS 25 -1.532 -1.692 -3.703 191 1HB LYS 25 2HB LYS 25 -3.612 -3.704 -2.865 192 2HB LYS 25 1HB LYS 25 -4.180 -2.178 -3.483 193 1HG LYS 25 2HG LYS 25 -2.716 -2.560 -5.524 194 2HG LYS 25 1HG LYS 25 -2.262 -4.121 -4.863 195 1HD LYS 25 2HD LYS 25 -4.418 -5.031 -5.156 196 2HD LYS 25 1HD LYS 25 -5.201 -3.460 -5.175 197 1HE LYS 25 2HE LYS 25 -4.140 -2.980 -7.397 198 2HE LYS 25 1HE LYS 25 -3.425 -4.587 -7.379 199 1HZ LYS 25 3HZ LYS 25 -5.869 -5.300 -6.967 200 2HZ LYS 25 2HZ LYS 25 -6.227 -3.796 -7.670 201 3HZ LYS 25 1HZ LYS 25 -5.328 -4.947 -8.539 202 H CYS 26 H CYS 26 -2.941 0.243 -3.346 203 HA CYS 26 HA CYS 26 -2.514 1.257 -0.686 204 1HB CYS 26 2HB CYS 26 -3.936 2.290 -3.115 205 2HB CYS 26 1HB CYS 26 -3.918 3.186 -1.627 206 H VAL 27 H VAL 27 -4.285 2.434 0.399 207 HA VAL 27 HA VAL 27 -6.805 0.845 0.551 208 HB VAL 27 HB VAL 27 -5.241 1.947 2.912 209 1HG1 VAL 27 1HG1 VAL 27 -7.645 0.082 2.658 210 2HG1 VAL 27 3HG1 VAL 27 -6.747 0.262 4.156 211 3HG1 VAL 27 2HG1 VAL 27 -7.593 1.639 3.475 212 1HG2 VAL 27 1HG2 VAL 27 -5.344 -0.918 1.874 213 2HG2 VAL 27 3HG2 VAL 27 -3.933 0.119 1.820 214 3HG2 VAL 27 2HG2 VAL 27 -4.557 -0.421 3.363 No H/Q in entry = 214 Start of MODEL 5 1 1H CYS 1 2H CYS 1 0.285 11.730 -5.152 2 2H CYS 1 1H CYS 1 -1.150 12.637 -5.179 3 3H CYS 1 3H CYS 1 0.069 13.010 -4.058 4 HA CYS 1 HA CYS 1 -0.240 10.869 -2.978 5 1HB CYS 1 2HB CYS 1 -1.874 11.826 -1.687 6 2HB CYS 1 1HB CYS 1 -1.771 13.152 -2.787 7 H ARG 2 H ARG 2 -0.502 8.839 -3.623 8 HA ARG 2 HA ARG 2 -1.885 8.110 -6.061 9 1HB ARG 2 2HB ARG 2 0.232 7.037 -4.884 10 2HB ARG 2 1HB ARG 2 -0.941 6.090 -4.007 11 1HG ARG 2 2HG ARG 2 -0.825 4.657 -5.713 12 2HG ARG 2 1HG ARG 2 -1.904 5.753 -6.547 13 1HD ARG 2 2HD ARG 2 -0.071 5.389 -8.066 14 2HD ARG 2 1HD ARG 2 0.268 6.963 -7.357 15 HE ARG 2 HE ARG 2 1.971 5.928 -5.967 16 1HH1 ARG 2 2HH1 ARG 2 0.684 3.211 -5.794 17 2HH1 ARG 2 1HH1 ARG 2 1.757 2.251 -6.759 18 1HH2 ARG 2 1HH2 ARG 2 3.244 5.039 -8.258 19 2HH2 ARG 2 2HH2 ARG 2 3.239 3.309 -8.182 20 H ILE 3 H ILE 3 -3.750 6.909 -6.333 21 HA ILE 3 HA ILE 3 -5.805 7.287 -4.365 22 HB ILE 3 HB ILE 3 -7.147 5.932 -6.086 23 1HG1 ILE 3 2HG1 ILE 3 -4.779 6.261 -7.945 24 2HG1 ILE 3 1HG1 ILE 3 -4.830 4.853 -6.909 25 1HG2 ILE 3 1HG2 ILE 3 -5.581 8.384 -6.994 26 2HG2 ILE 3 3HG2 ILE 3 -7.043 7.795 -7.767 27 3HG2 ILE 3 2HG2 ILE 3 -7.101 8.391 -6.116 28 1HD1 ILE 3 2HD1 ILE 3 -7.070 4.275 -7.781 29 2HD1 ILE 3 1HD1 ILE 3 -7.005 5.675 -8.849 30 3HD1 ILE 3 3HD1 ILE 3 -5.869 4.349 -9.060 31 HA HYP 4 HA HYP 4 -5.992 3.333 -2.187 32 1HB HYP 4 1HB HYP 4 -8.138 3.038 -1.467 33 2HB HYP 4 2HB HYP 4 -8.795 3.056 -3.093 34 1HD HYP 4 1HD1 HYP 4 -7.065 6.679 -2.628 35 2HD HYP 4 2HD1 HYP 4 -7.993 6.211 -4.062 36 HOD HYP 4 HD2 HYP 4 -8.240 6.339 -0.865 37 HG HYP 4 HG HYP 4 -9.520 5.249 -2.495 38 H ASN 5 H ASN 5 -6.237 1.150 -2.552 39 HA ASN 5 HA ASN 5 -5.911 -0.841 -3.620 40 1HB ASN 5 2HB ASN 5 -7.618 -1.424 -5.018 41 2HB ASN 5 1HB ASN 5 -8.255 0.136 -4.577 42 1HD2 ASN 5 2HD2 ASN 5 -8.448 -0.346 -8.283 43 2HD2 ASN 5 1HD2 ASN 5 -8.967 -1.253 -6.944 44 H GLN 6 H GLN 6 -4.451 1.859 -4.874 45 HA GLN 6 HA GLN 6 -3.330 0.724 -7.292 46 1HB GLN 6 2HB GLN 6 -3.583 3.235 -6.527 47 2HB GLN 6 1HB GLN 6 -2.043 2.977 -5.746 48 1HG GLN 6 2HG GLN 6 -1.045 3.398 -7.771 49 2HG GLN 6 1HG GLN 6 -1.687 1.873 -8.346 50 1HE2 GLN 6 2HE2 GLN 6 -3.306 5.358 -9.636 51 2HE2 GLN 6 1HE2 GLN 6 -2.036 5.336 -8.507 52 H LYS 7 H LYS 7 -1.692 -0.599 -7.483 53 HA LYS 7 HA LYS 7 -0.457 -2.044 -5.484 54 1HB LYS 7 2HB LYS 7 0.432 -1.357 -8.292 55 2HB LYS 7 1HB LYS 7 1.418 -2.389 -7.278 56 1HG LYS 7 2HG LYS 7 -1.539 -2.978 -7.607 57 2HG LYS 7 1HG LYS 7 -0.403 -3.484 -8.832 58 1HD LYS 7 2HD LYS 7 0.299 -4.139 -5.966 59 2HD LYS 7 1HD LYS 7 -1.006 -5.048 -6.695 60 1HE LYS 7 2HE LYS 7 1.689 -4.733 -8.066 61 2HE LYS 7 1HE LYS 7 1.340 -6.051 -6.959 62 1HZ LYS 7 1HZ LYS 7 -0.393 -5.446 -9.269 63 2HZ LYS 7 3HZ LYS 7 0.949 -6.481 -9.384 64 3HZ LYS 7 2HZ LYS 7 -0.334 -6.863 -8.336 65 H CYS 8 H CYS 8 0.449 -1.157 -3.776 66 HA CYS 8 HA CYS 8 2.954 0.409 -4.107 67 1HB CYS 8 2HB CYS 8 2.269 1.949 -2.359 68 2HB CYS 8 1HB CYS 8 1.158 1.987 -3.702 69 H PHE 9 H PHE 9 4.369 0.271 -2.362 70 HA PHE 9 HA PHE 9 4.187 -2.275 -0.879 71 1HB PHE 9 2HB PHE 9 6.504 -0.307 -0.898 72 2HB PHE 9 1HB PHE 9 6.551 -2.009 -0.482 73 HD1 PHE 9 HD1 PHE 9 6.421 -3.736 -2.237 74 HD2 PHE 9 HD2 PHE 9 6.344 0.401 -3.268 75 HE1 PHE 9 HE1 PHE 9 6.858 -4.303 -4.583 76 HE2 PHE 9 HE2 PHE 9 6.782 -0.171 -5.603 77 HZ PHE 9 HZ PHE 9 7.039 -2.523 -6.271 78 H GLN 10 H GLN 10 4.366 -2.487 1.302 79 HA GLN 10 HA GLN 10 2.982 -0.727 2.951 80 1HB GLN 10 2HB GLN 10 4.900 -3.009 3.506 81 2HB GLN 10 1HB GLN 10 4.207 -2.107 4.834 82 1HG GLN 10 2HG GLN 10 2.678 -3.897 4.549 83 2HG GLN 10 1HG GLN 10 1.891 -2.571 3.710 84 1HE2 GLN 10 2HE2 GLN 10 2.204 -4.060 0.508 85 2HE2 GLN 10 1HE2 GLN 10 1.810 -2.648 1.367 86 H HIS 11 H HIS 11 6.357 -0.948 2.232 87 HA HIS 11 HA HIS 11 7.186 1.019 4.256 88 1HB HIS 11 2HB HIS 11 8.736 -0.314 1.975 89 2HB HIS 11 1HB HIS 11 9.456 0.685 3.230 90 HD1 HIS 11 HD1 HIS 11 10.271 -0.692 5.141 91 HD2 HIS 11 HD2 HIS 11 7.218 -2.645 3.258 92 HE1 HIS 11 HE1 HIS 11 10.020 -2.860 6.289 93 H LEU 12 H LEU 12 6.971 0.767 0.758 94 HA LEU 12 HA LEU 12 7.337 3.704 0.428 95 1HB LEU 12 2HB LEU 12 7.054 1.556 -1.714 96 2HB LEU 12 1HB LEU 12 7.581 3.201 -1.965 97 HG LEU 12 HG LEU 12 9.114 1.197 -0.231 98 1HD1 LEU 12 2HD1 LEU 12 9.422 1.966 -3.161 99 2HD1 LEU 12 1HD1 LEU 12 10.718 1.226 -2.237 100 3HD1 LEU 12 3HD1 LEU 12 9.218 0.356 -2.492 101 1HD2 LEU 12 3HD2 LEU 12 9.791 3.962 -1.334 102 2HD2 LEU 12 2HD2 LEU 12 9.616 3.527 0.359 103 3HD2 LEU 12 1HD2 LEU 12 10.962 2.899 -0.570 104 H ASP 13 H ASP 13 5.210 3.566 1.696 105 HA ASP 13 HA ASP 13 2.809 3.056 0.108 106 1HB ASP 13 2HB ASP 13 1.740 4.360 2.138 107 2HB ASP 13 1HB ASP 13 2.357 2.749 2.416 108 H ASP 14 H ASP 14 2.785 4.275 -1.604 109 HA ASP 14 HA ASP 14 3.334 7.162 -1.590 110 1HB ASP 14 2HB ASP 14 2.729 6.794 -4.097 111 2HB ASP 14 1HB ASP 14 4.203 6.050 -3.508 112 H CYS 15 H CYS 15 0.749 5.276 -0.857 113 HA CYS 15 HA CYS 15 -1.453 6.447 -2.171 114 1HB CYS 15 2HB CYS 15 -1.522 5.424 0.635 115 2HB CYS 15 1HB CYS 15 -2.755 5.301 -0.599 116 H CYS 16 H CYS 16 -3.045 7.755 -1.429 117 HA CYS 16 HA CYS 16 -2.176 10.294 -0.409 118 1HB CYS 16 2HB CYS 16 -4.255 9.457 -1.947 119 2HB CYS 16 1HB CYS 16 -5.083 9.488 -0.418 120 H SER 17 H SER 17 -3.747 7.477 0.835 121 HA SER 17 HA SER 17 -4.169 8.521 3.530 122 1HB SER 17 2HB SER 17 -5.176 6.277 3.870 123 2HB SER 17 1HB SER 17 -5.767 6.924 2.343 124 HG SER 17 HG SER 17 -3.597 5.144 2.750 125 H ARG 18 H ARG 18 -1.691 7.204 1.735 126 HA ARG 18 HA ARG 18 0.414 6.388 2.157 127 1HB ARG 18 2HB ARG 18 -0.226 8.286 4.282 128 2HB ARG 18 1HB ARG 18 0.721 7.009 4.994 129 1HG ARG 18 2HG ARG 18 2.524 8.175 4.222 130 2HG ARG 18 1HG ARG 18 2.157 7.476 2.664 131 1HD ARG 18 2HD ARG 18 2.319 9.844 2.291 132 2HD ARG 18 1HD ARG 18 0.598 9.481 2.252 133 HE ARG 18 HE ARG 18 0.351 10.519 4.406 134 1HH1 ARG 18 1HH2 ARG 18 2.706 9.796 5.866 135 2HH1 ARG 18 2HH2 ARG 18 3.689 11.224 5.847 136 1HH2 ARG 18 2HH1 ARG 18 1.924 12.639 3.172 137 2HH2 ARG 18 1HH1 ARG 18 3.234 12.877 4.281 138 H LYS 19 H LYS 19 -2.004 4.778 2.721 139 HA LYS 19 HA LYS 19 -0.799 2.692 4.466 140 1HB LYS 19 2HB LYS 19 -3.604 3.758 4.191 141 2HB LYS 19 1HB LYS 19 -3.358 2.098 4.665 142 1HG LYS 19 2HG LYS 19 -1.991 2.806 6.597 143 2HG LYS 19 1HG LYS 19 -2.061 4.477 6.077 144 1HD LYS 19 2HD LYS 19 -4.627 2.943 6.625 145 2HD LYS 19 1HD LYS 19 -3.717 3.637 7.952 146 1HE LYS 19 2HE LYS 19 -3.858 5.888 6.886 147 2HE LYS 19 1HE LYS 19 -4.761 5.186 5.551 148 1HZ LYS 19 1HZ LYS 19 -5.845 4.570 8.136 149 2HZ LYS 19 3HZ LYS 19 -5.845 6.227 7.766 150 3HZ LYS 19 2HZ LYS 19 -6.615 5.126 6.728 151 H CYS 20 H CYS 20 -0.301 0.899 3.425 152 HA CYS 20 HA CYS 20 -1.710 0.175 0.922 153 1HB CYS 20 2HB CYS 20 1.172 -0.172 1.812 154 2HB CYS 20 1HB CYS 20 0.508 -0.904 0.388 155 H ASN 21 H ASN 21 -2.967 -1.516 1.319 156 HA ASN 21 HA ASN 21 -2.875 -3.108 3.697 157 1HB ASN 21 2HB ASN 21 -4.614 -4.531 2.375 158 2HB ASN 21 1HB ASN 21 -5.015 -2.856 2.676 159 1HD2 ASN 21 2HD2 ASN 21 -3.629 -3.537 -1.121 160 2HD2 ASN 21 1HD2 ASN 21 -2.745 -4.096 0.211 161 H ARG 22 H ARG 22 -3.133 -5.573 3.423 162 HA ARG 22 HA ARG 22 -0.625 -6.692 3.026 163 1HB ARG 22 2HB ARG 22 -1.817 -8.854 3.355 164 2HB ARG 22 1HB ARG 22 -2.284 -7.644 4.529 165 1HG ARG 22 2HG ARG 22 -4.409 -7.281 3.518 166 2HG ARG 22 1HG ARG 22 -3.911 -7.968 1.985 167 1HD ARG 22 2HD ARG 22 -5.371 -9.561 3.135 168 2HD ARG 22 1HD ARG 22 -3.739 -10.223 3.075 169 HE ARG 22 HE ARG 22 -4.283 -8.687 5.505 170 1HH1 ARG 22 1HH2 ARG 22 -2.428 -10.769 5.831 171 2HH1 ARG 22 2HH2 ARG 22 -3.336 -12.122 6.423 172 1HH2 ARG 22 2HH1 ARG 22 -6.399 -10.770 5.385 173 2HH2 ARG 22 1HH1 ARG 22 -5.646 -12.123 6.164 174 H PHE 23 H PHE 23 -3.008 -6.009 0.671 175 HA PHE 23 HA PHE 23 -2.105 -8.045 -1.244 176 1HB PHE 23 2HB PHE 23 -4.121 -5.763 -1.468 177 2HB PHE 23 1HB PHE 23 -3.878 -7.030 -2.648 178 HD1 PHE 23 HD2 PHE 23 -4.157 -9.497 -1.807 179 HD2 PHE 23 HD1 PHE 23 -5.662 -6.110 0.303 180 HE1 PHE 23 HE2 PHE 23 -5.711 -10.946 -0.584 181 HE2 PHE 23 HE1 PHE 23 -7.214 -7.566 1.522 182 HZ PHE 23 HZ PHE 23 -7.242 -9.986 1.083 183 H ASN 24 H ASN 24 -0.617 -5.594 -0.104 184 HA ASN 24 HA ASN 24 0.880 -3.971 -0.775 185 1HB ASN 24 2HB ASN 24 1.163 -6.027 -3.033 186 2HB ASN 24 1HB ASN 24 2.315 -4.729 -2.738 187 1HD2 ASN 24 2HD2 ASN 24 2.166 -7.930 -0.200 188 2HD2 ASN 24 1HD2 ASN 24 0.936 -7.690 -1.344 189 H LYS 25 H LYS 25 -1.706 -3.447 -1.350 190 HA LYS 25 HA LYS 25 -1.548 -1.685 -3.740 191 1HB LYS 25 2HB LYS 25 -3.644 -3.682 -2.867 192 2HB LYS 25 1HB LYS 25 -4.196 -2.180 -3.560 193 1HG LYS 25 2HG LYS 25 -2.725 -2.634 -5.564 194 2HG LYS 25 1HG LYS 25 -2.236 -4.148 -4.824 195 1HD LYS 25 2HD LYS 25 -4.426 -5.088 -4.998 196 2HD LYS 25 1HD LYS 25 -5.173 -3.528 -5.299 197 1HE LYS 25 2HE LYS 25 -4.002 -3.377 -7.488 198 2HE LYS 25 1HE LYS 25 -3.255 -4.942 -7.197 199 1HZ LYS 25 1HZ LYS 25 -6.176 -4.493 -7.258 200 2HZ LYS 25 3HZ LYS 25 -5.262 -5.017 -8.591 201 3HZ LYS 25 2HZ LYS 25 -5.366 -5.984 -7.198 202 H CYS 26 H CYS 26 -3.005 0.256 -3.397 203 HA CYS 26 HA CYS 26 -2.557 1.276 -0.739 204 1HB CYS 26 2HB CYS 26 -3.950 2.318 -3.176 205 2HB CYS 26 1HB CYS 26 -3.964 3.203 -1.682 206 H VAL 27 H VAL 27 -4.295 2.486 0.333 207 HA VAL 27 HA VAL 27 -6.833 0.929 0.543 208 HB VAL 27 HB VAL 27 -5.203 2.054 2.866 209 1HG1 VAL 27 1HG1 VAL 27 -7.657 0.244 2.703 210 2HG1 VAL 27 3HG1 VAL 27 -6.727 0.457 4.177 211 3HG1 VAL 27 2HG1 VAL 27 -7.563 1.824 3.466 212 1HG2 VAL 27 2HG2 VAL 27 -5.390 -0.807 1.817 213 2HG2 VAL 27 1HG2 VAL 27 -3.945 0.180 1.833 214 3HG2 VAL 27 3HG2 VAL 27 -4.637 -0.372 3.342 No H/Q in entry = 214 Start of MODEL 6 1 1H CYS 1 2H CYS 1 -1.040 12.716 -4.974 2 2H CYS 1 1H CYS 1 0.100 13.093 -3.772 3 3H CYS 1 3H CYS 1 0.409 11.837 -4.874 4 HA CYS 1 HA CYS 1 -0.220 10.883 -2.790 5 1HB CYS 1 2HB CYS 1 -1.890 11.802 -1.511 6 2HB CYS 1 1HB CYS 1 -1.753 13.168 -2.556 7 H ARG 2 H ARG 2 -0.426 8.889 -3.614 8 HA ARG 2 HA ARG 2 -1.824 8.360 -6.097 9 1HB ARG 2 2HB ARG 2 0.301 7.174 -5.119 10 2HB ARG 2 1HB ARG 2 -0.825 6.194 -4.205 11 1HG ARG 2 2HG ARG 2 -1.758 5.191 -6.111 12 2HG ARG 2 1HG ARG 2 -1.310 6.509 -7.170 13 1HD ARG 2 2HD ARG 2 0.322 5.039 -7.844 14 2HD ARG 2 1HD ARG 2 1.198 5.670 -6.458 15 HE ARG 2 HE ARG 2 -0.335 3.585 -5.426 16 1HH1 ARG 2 2HH1 ARG 2 0.180 2.640 -8.317 17 2HH1 ARG 2 1HH1 ARG 2 1.575 1.642 -8.080 18 1HH2 ARG 2 1HH2 ARG 2 2.229 2.940 -4.903 19 2HH2 ARG 2 2HH2 ARG 2 2.765 1.825 -6.111 20 H ILE 3 H ILE 3 -3.619 7.058 -6.456 21 HA ILE 3 HA ILE 3 -5.740 7.340 -4.580 22 HB ILE 3 HB ILE 3 -7.044 6.112 -6.287 23 1HG1 ILE 3 2HG1 ILE 3 -4.332 5.537 -7.574 24 2HG1 ILE 3 1HG1 ILE 3 -5.409 4.355 -6.866 25 1HG2 ILE 3 2HG2 ILE 3 -6.237 8.571 -6.583 26 2HG2 ILE 3 1HG2 ILE 3 -5.111 7.929 -7.765 27 3HG2 ILE 3 3HG2 ILE 3 -6.840 7.756 -8.012 28 1HD1 ILE 3 1HD1 ILE 3 -7.158 5.408 -8.621 29 2HD1 ILE 3 3HD1 ILE 3 -5.664 5.765 -9.477 30 3HD1 ILE 3 2HD1 ILE 3 -6.064 4.109 -9.053 31 HA HYP 4 HA HYP 4 -5.752 3.413 -2.320 32 1HB HYP 4 1HB HYP 4 -7.838 3.213 -1.430 33 2HB HYP 4 2HB HYP 4 -8.594 3.076 -3.003 34 1HD HYP 4 1HD1 HYP 4 -6.910 6.775 -2.799 35 2HD HYP 4 2HD1 HYP 4 -7.848 6.243 -4.202 36 HOD HYP 4 HD2 HYP 4 -7.748 6.488 -1.100 37 HG HYP 4 HG HYP 4 -9.346 5.286 -2.628 38 H ASN 5 H ASN 5 -6.425 1.155 -2.668 39 HA ASN 5 HA ASN 5 -6.070 -0.801 -3.834 40 1HB ASN 5 2HB ASN 5 -7.795 -1.234 -5.501 41 2HB ASN 5 1HB ASN 5 -8.483 -0.175 -4.290 42 1HD2 ASN 5 2HD2 ASN 5 -9.155 2.422 -6.569 43 2HD2 ASN 5 1HD2 ASN 5 -9.241 1.877 -4.963 44 H GLN 6 H GLN 6 -4.184 1.366 -4.569 45 HA GLN 6 HA GLN 6 -3.431 0.555 -7.327 46 1HB GLN 6 2HB GLN 6 -3.703 3.065 -6.411 47 2HB GLN 6 1HB GLN 6 -2.091 2.792 -5.791 48 1HG GLN 6 2HG GLN 6 -1.565 3.563 -7.914 49 2HG GLN 6 1HG GLN 6 -1.681 1.844 -8.269 50 1HE2 GLN 6 2HE2 GLN 6 -4.019 4.295 -10.288 51 2HE2 GLN 6 1HE2 GLN 6 -2.557 4.716 -9.534 52 H LYS 7 H LYS 7 -1.823 -0.843 -7.512 53 HA LYS 7 HA LYS 7 -0.592 -2.194 -5.445 54 1HB LYS 7 2HB LYS 7 -0.660 -2.767 -7.956 55 2HB LYS 7 1HB LYS 7 0.730 -1.729 -8.147 56 1HG LYS 7 2HG LYS 7 1.612 -3.945 -7.893 57 2HG LYS 7 1HG LYS 7 1.925 -3.137 -6.376 58 1HD LYS 7 2HD LYS 7 1.056 -5.159 -5.595 59 2HD LYS 7 1HD LYS 7 -0.416 -4.221 -5.646 60 1HE LYS 7 2HE LYS 7 -0.780 -5.145 -8.020 61 2HE LYS 7 1HE LYS 7 0.525 -6.271 -7.663 62 1HZ LYS 7 2HZ LYS 7 -0.958 -6.541 -5.484 63 2HZ LYS 7 1HZ LYS 7 -2.170 -6.163 -6.610 64 3HZ LYS 7 3HZ LYS 7 -1.151 -7.494 -6.877 65 H CYS 8 H CYS 8 0.323 -1.125 -3.831 66 HA CYS 8 HA CYS 8 2.805 0.459 -4.347 67 1HB CYS 8 2HB CYS 8 2.212 1.874 -2.440 68 2HB CYS 8 1HB CYS 8 0.994 1.955 -3.679 69 H PHE 9 H PHE 9 4.473 0.136 -2.938 70 HA PHE 9 HA PHE 9 4.338 -2.377 -1.406 71 1HB PHE 9 2HB PHE 9 6.385 -1.033 -2.902 72 2HB PHE 9 1HB PHE 9 6.949 -1.093 -1.240 73 HD1 PHE 9 HD2 PHE 9 7.123 -3.292 -0.058 74 HD2 PHE 9 HD1 PHE 9 6.114 -3.056 -4.196 75 HE1 PHE 9 HE2 PHE 9 7.637 -5.680 -0.325 76 HE2 PHE 9 HE1 PHE 9 6.628 -5.440 -4.456 77 HZ PHE 9 HZ PHE 9 7.390 -6.757 -2.522 78 H GLN 10 H GLN 10 4.956 -2.623 0.667 79 HA GLN 10 HA GLN 10 3.957 -0.808 2.536 80 1HB GLN 10 2HB GLN 10 5.959 -3.041 3.028 81 2HB GLN 10 1HB GLN 10 4.907 -2.335 4.237 82 1HG GLN 10 2HG GLN 10 3.876 -3.786 1.743 83 2HG GLN 10 1HG GLN 10 4.110 -4.555 3.299 84 1HE2 GLN 10 2HE2 GLN 10 0.575 -3.657 3.241 85 2HE2 GLN 10 1HE2 GLN 10 1.617 -4.758 2.478 86 H HIS 11 H HIS 11 7.143 -1.347 1.311 87 HA HIS 11 HA HIS 11 8.566 0.296 3.227 88 1HB HIS 11 2HB HIS 11 9.604 -0.410 0.463 89 2HB HIS 11 1HB HIS 11 10.511 -0.215 1.954 90 HD1 HIS 11 HD1 HIS 11 9.817 -2.827 -0.055 91 HD2 HIS 11 HD2 HIS 11 9.037 -2.343 3.922 92 HE1 HIS 11 HE1 HIS 11 9.546 -5.092 0.880 93 H LEU 12 H LEU 12 6.705 1.011 0.464 94 HA LEU 12 HA LEU 12 7.478 3.867 0.646 95 1HB LEU 12 2HB LEU 12 7.612 3.984 -1.891 96 2HB LEU 12 1HB LEU 12 8.930 3.137 -1.129 97 HG LEU 12 HG LEU 12 6.759 1.242 -1.745 98 1HD1 LEU 12 1HD1 LEU 12 6.303 2.937 -3.574 99 2HD1 LEU 12 3HD1 LEU 12 7.942 2.690 -4.149 100 3HD1 LEU 12 2HD1 LEU 12 6.792 1.362 -4.175 101 1HD2 LEU 12 2HD2 LEU 12 9.174 0.682 -1.315 102 2HD2 LEU 12 1HD2 LEU 12 8.595 0.021 -2.834 103 3HD2 LEU 12 3HD2 LEU 12 9.602 1.459 -2.827 104 H ASP 13 H ASP 13 5.460 3.870 1.693 105 HA ASP 13 HA ASP 13 3.000 3.326 0.205 106 1HB ASP 13 2HB ASP 13 3.672 4.444 2.950 107 2HB ASP 13 1HB ASP 13 2.039 4.581 2.321 108 H ASP 14 H ASP 14 3.022 4.549 -1.532 109 HA ASP 14 HA ASP 14 3.433 7.460 -1.470 110 1HB ASP 14 2HB ASP 14 2.897 7.075 -4.010 111 2HB ASP 14 1HB ASP 14 4.403 6.427 -3.386 112 H CYS 15 H CYS 15 0.937 5.377 -0.888 113 HA CYS 15 HA CYS 15 -1.303 6.448 -2.193 114 1HB CYS 15 2HB CYS 15 -1.331 5.367 0.603 115 2HB CYS 15 1HB CYS 15 -2.568 5.218 -0.616 116 H CYS 16 H CYS 16 -2.970 7.692 -1.480 117 HA CYS 16 HA CYS 16 -2.233 10.219 -0.322 118 1HB CYS 16 2HB CYS 16 -4.239 9.395 -1.977 119 2HB CYS 16 1HB CYS 16 -5.110 9.346 -0.473 120 H SER 17 H SER 17 -3.787 7.306 0.771 121 HA SER 17 HA SER 17 -4.415 8.260 3.445 122 1HB SER 17 2HB SER 17 -5.205 5.936 3.745 123 2HB SER 17 1HB SER 17 -5.732 6.467 2.147 124 HG SER 17 HG SER 17 -3.831 5.533 1.303 125 H ARG 18 H ARG 18 -1.754 7.064 1.781 126 HA ARG 18 HA ARG 18 0.421 6.508 2.336 127 1HB ARG 18 2HB ARG 18 -0.187 7.396 5.198 128 2HB ARG 18 1HB ARG 18 1.349 7.414 4.372 129 1HG ARG 18 2HG ARG 18 -0.425 9.042 2.785 130 2HG ARG 18 1HG ARG 18 -0.709 9.482 4.454 131 1HD ARG 18 2HD ARG 18 1.081 10.882 3.577 132 2HD ARG 18 1HD ARG 18 1.813 9.754 4.716 133 HE ARG 18 HE ARG 18 1.950 8.466 2.239 134 1HH1 ARG 18 1HH2 ARG 18 2.355 10.740 0.699 135 2HH1 ARG 18 2HH2 ARG 18 3.999 11.224 0.959 136 1HH2 ARG 18 2HH1 ARG 18 4.304 9.337 3.893 137 2HH2 ARG 18 1HH1 ARG 18 5.130 10.410 2.813 138 H LYS 19 H LYS 19 -1.956 4.763 2.806 139 HA LYS 19 HA LYS 19 -0.686 2.704 4.538 140 1HB LYS 19 2HB LYS 19 -3.485 3.767 4.392 141 2HB LYS 19 1HB LYS 19 -3.286 2.063 4.703 142 1HG LYS 19 2HG LYS 19 -2.237 2.404 6.768 143 2HG LYS 19 1HG LYS 19 -1.593 3.974 6.315 144 1HD LYS 19 2HD LYS 19 -3.840 4.985 6.472 145 2HD LYS 19 1HD LYS 19 -4.546 3.419 6.837 146 1HE LYS 19 2HE LYS 19 -2.850 3.369 8.845 147 2HE LYS 19 1HE LYS 19 -2.700 5.098 8.557 148 1HZ LYS 19 3HZ LYS 19 -5.097 5.295 8.789 149 2HZ LYS 19 2HZ LYS 19 -5.212 3.632 9.109 150 3HZ LYS 19 1HZ LYS 19 -4.380 4.648 10.187 151 H CYS 20 H CYS 20 -0.193 0.922 3.505 152 HA CYS 20 HA CYS 20 -1.589 0.203 0.991 153 1HB CYS 20 2HB CYS 20 1.290 -0.113 1.917 154 2HB CYS 20 1HB CYS 20 0.652 -0.954 0.542 155 H ASN 21 H ASN 21 -2.846 -1.522 1.377 156 HA ASN 21 HA ASN 21 -2.716 -3.064 3.798 157 1HB ASN 21 2HB ASN 21 -4.562 -4.349 2.823 158 2HB ASN 21 1HB ASN 21 -4.808 -2.643 2.512 159 1HD2 ASN 21 2HD2 ASN 21 -5.511 -4.201 -0.686 160 2HD2 ASN 21 1HD2 ASN 21 -6.239 -3.997 0.834 161 H ARG 22 H ARG 22 -3.003 -5.557 3.476 162 HA ARG 22 HA ARG 22 -0.465 -6.640 3.064 163 1HB ARG 22 2HB ARG 22 -1.558 -8.784 3.532 164 2HB ARG 22 1HB ARG 22 -2.113 -7.545 4.623 165 1HG ARG 22 2HG ARG 22 -4.266 -7.743 3.959 166 2HG ARG 22 1HG ARG 22 -3.853 -7.567 2.275 167 1HD ARG 22 2HD ARG 22 -4.379 -9.766 1.981 168 2HD ARG 22 1HD ARG 22 -2.975 -10.198 2.934 169 HE ARG 22 HE ARG 22 -4.373 -10.608 4.789 170 1HH1 ARG 22 1HH2 ARG 22 -6.037 -8.355 5.123 171 2HH1 ARG 22 2HH2 ARG 22 -7.600 -8.849 4.563 172 1HH2 ARG 22 2HH1 ARG 22 -6.329 -11.583 2.784 173 2HH2 ARG 22 1HH1 ARG 22 -7.768 -10.719 3.209 174 H PHE 23 H PHE 23 -2.909 -6.020 0.781 175 HA PHE 23 HA PHE 23 -2.037 -8.066 -1.147 176 1HB PHE 23 2HB PHE 23 -4.115 -5.836 -1.214 177 2HB PHE 23 1HB PHE 23 -3.832 -6.925 -2.546 178 HD1 PHE 23 HD2 PHE 23 -4.070 -9.482 -2.062 179 HD2 PHE 23 HD1 PHE 23 -5.614 -6.462 0.521 180 HE1 PHE 23 HE2 PHE 23 -5.600 -11.113 -1.058 181 HE2 PHE 23 HE1 PHE 23 -7.142 -8.097 1.519 182 HZ PHE 23 HZ PHE 23 -7.140 -10.427 0.729 183 H ASN 24 H ASN 24 -0.545 -5.576 -0.048 184 HA ASN 24 HA ASN 24 0.915 -3.925 -0.764 185 1HB ASN 24 2HB ASN 24 1.174 -6.051 -2.959 186 2HB ASN 24 1HB ASN 24 2.217 -4.636 -2.899 187 1HD2 ASN 24 2HD2 ASN 24 4.025 -5.708 -0.029 188 2HD2 ASN 24 1HD2 ASN 24 3.600 -4.358 -0.963 189 H LYS 25 H LYS 25 -1.713 -3.529 -1.275 190 HA LYS 25 HA LYS 25 -1.785 -1.860 -3.739 191 1HB LYS 25 2HB LYS 25 -3.810 -3.668 -2.395 192 2HB LYS 25 1HB LYS 25 -4.375 -2.282 -3.282 193 1HG LYS 25 2HG LYS 25 -2.356 -4.060 -4.651 194 2HG LYS 25 1HG LYS 25 -3.962 -4.722 -4.420 195 1HD LYS 25 2HD LYS 25 -5.002 -2.949 -5.652 196 2HD LYS 25 1HD LYS 25 -3.537 -1.979 -5.629 197 1HE LYS 25 2HE LYS 25 -3.769 -2.980 -7.841 198 2HE LYS 25 1HE LYS 25 -2.400 -3.728 -7.036 199 1HZ LYS 25 2HZ LYS 25 -4.722 -5.165 -6.401 200 2HZ LYS 25 1HZ LYS 25 -4.654 -4.958 -8.085 201 3HZ LYS 25 3HZ LYS 25 -3.354 -5.678 -7.266 202 H CYS 26 H CYS 26 -3.105 0.167 -3.368 203 HA CYS 26 HA CYS 26 -2.461 1.241 -0.740 204 1HB CYS 26 2HB CYS 26 -3.772 2.348 -3.206 205 2HB CYS 26 1HB CYS 26 -3.755 3.243 -1.730 206 H VAL 27 H VAL 27 -4.106 2.577 0.308 207 HA VAL 27 HA VAL 27 -6.758 1.209 0.520 208 HB VAL 27 HB VAL 27 -5.059 2.291 2.827 209 1HG1 VAL 27 2HG1 VAL 27 -7.720 0.799 2.704 210 2HG1 VAL 27 1HG1 VAL 27 -6.763 0.869 4.173 211 3HG1 VAL 27 3HG1 VAL 27 -7.398 2.345 3.477 212 1HG2 VAL 27 3HG2 VAL 27 -5.583 -0.593 1.958 213 2HG2 VAL 27 2HG2 VAL 27 -4.037 0.229 1.835 214 3HG2 VAL 27 1HG2 VAL 27 -4.714 -0.124 3.412 No H/Q in entry = 214 Start of MODEL 7 1 1H CYS 1 2H CYS 1 0.261 11.523 -5.475 2 2H CYS 1 1H CYS 1 -1.064 12.581 -5.382 3 3H CYS 1 3H CYS 1 0.287 12.822 -4.380 4 HA CYS 1 HA CYS 1 -0.146 10.775 -3.219 5 1HB CYS 1 2HB CYS 1 -1.659 11.859 -1.867 6 2HB CYS 1 1HB CYS 1 -1.510 13.155 -2.999 7 H ARG 2 H ARG 2 -0.427 8.781 -3.952 8 HA ARG 2 HA ARG 2 -2.016 8.043 -6.215 9 1HB ARG 2 2HB ARG 2 -0.331 6.664 -4.185 10 2HB ARG 2 1HB ARG 2 -1.569 5.651 -4.894 11 1HG ARG 2 2HG ARG 2 -0.726 6.052 -7.129 12 2HG ARG 2 1HG ARG 2 0.339 7.330 -6.569 13 1HD ARG 2 2HD ARG 2 1.828 5.855 -5.540 14 2HD ARG 2 1HD ARG 2 0.619 4.584 -5.341 15 HE ARG 2 HE ARG 2 1.284 5.166 -8.130 16 1HH1 ARG 2 1HH2 ARG 2 3.139 4.047 -5.604 17 2HH1 ARG 2 2HH2 ARG 2 3.437 2.473 -6.262 18 1HH2 ARG 2 2HH1 ARG 2 1.138 2.896 -8.864 19 2HH2 ARG 2 1HH1 ARG 2 2.279 1.808 -8.148 20 H ILE 3 H ILE 3 -3.815 6.605 -6.329 21 HA ILE 3 HA ILE 3 -5.931 7.318 -4.512 22 HB ILE 3 HB ILE 3 -7.252 5.798 -6.047 23 1HG1 ILE 3 2HG1 ILE 3 -4.687 5.441 -7.638 24 2HG1 ILE 3 1HG1 ILE 3 -5.120 4.268 -6.408 25 1HG2 ILE 3 2HG2 ILE 3 -6.752 8.220 -6.614 26 2HG2 ILE 3 1HG2 ILE 3 -5.359 7.676 -7.532 27 3HG2 ILE 3 3HG2 ILE 3 -6.976 7.216 -8.037 28 1HD1 ILE 3 1HD1 ILE 3 -7.302 3.913 -7.539 29 2HD1 ILE 3 3HD1 ILE 3 -6.812 5.044 -8.799 30 3HD1 ILE 3 2HD1 ILE 3 -5.933 3.538 -8.578 31 HA HYP 4 HA HYP 4 -6.131 3.407 -2.078 32 1HB HYP 4 1HB HYP 4 -8.311 3.090 -1.426 33 2HB HYP 4 2HB HYP 4 -8.895 3.044 -3.081 34 1HD HYP 4 1HD1 HYP 4 -7.364 6.772 -2.731 35 2HD HYP 4 2HD1 HYP 4 -8.180 6.116 -4.159 36 HOD HYP 4 HD2 HYP 4 -7.450 5.236 -0.818 37 HG HYP 4 HG HYP 4 -9.724 5.227 -2.533 38 H ASN 5 H ASN 5 -6.139 1.248 -2.528 39 HA ASN 5 HA ASN 5 -5.802 -0.716 -3.653 40 1HB ASN 5 2HB ASN 5 -7.354 -1.263 -5.240 41 2HB ASN 5 1HB ASN 5 -8.063 0.270 -4.819 42 1HD2 ASN 5 2HD2 ASN 5 -7.793 -0.108 -8.547 43 2HD2 ASN 5 1HD2 ASN 5 -8.421 -1.094 -7.318 44 H GLN 6 H GLN 6 -4.460 2.146 -4.827 45 HA GLN 6 HA GLN 6 -3.071 1.276 -7.137 46 1HB GLN 6 2HB GLN 6 -2.968 3.564 -5.319 47 2HB GLN 6 1HB GLN 6 -1.343 3.103 -5.751 48 1HG GLN 6 2HG GLN 6 -3.472 3.373 -7.896 49 2HG GLN 6 1HG GLN 6 -2.608 4.780 -7.291 50 1HE2 GLN 6 2HE2 GLN 6 -0.101 4.168 -9.635 51 2HE2 GLN 6 1HE2 GLN 6 -1.203 5.257 -8.952 52 H LYS 7 H LYS 7 -1.520 -0.106 -7.447 53 HA LYS 7 HA LYS 7 -0.442 -1.794 -5.479 54 1HB LYS 7 2HB LYS 7 0.271 -1.115 -8.325 55 2HB LYS 7 1HB LYS 7 1.422 -2.074 -7.420 56 1HG LYS 7 2HG LYS 7 -1.528 -2.824 -7.509 57 2HG LYS 7 1HG LYS 7 -0.415 -3.340 -8.759 58 1HD LYS 7 2HD LYS 7 1.040 -4.408 -7.019 59 2HD LYS 7 1HD LYS 7 -0.101 -3.928 -5.779 60 1HE LYS 7 2HE LYS 7 -1.891 -5.238 -7.018 61 2HE LYS 7 1HE LYS 7 -0.618 -5.856 -8.063 62 1HZ LYS 7 2HZ LYS 7 0.524 -6.584 -5.982 63 2HZ LYS 7 1HZ LYS 7 -0.908 -6.220 -5.146 64 3HZ LYS 7 3HZ LYS 7 -0.910 -7.409 -6.359 65 H CYS 8 H CYS 8 0.595 -1.105 -3.804 66 HA CYS 8 HA CYS 8 3.130 0.411 -4.110 67 1HB CYS 8 2HB CYS 8 2.516 1.786 -2.144 68 2HB CYS 8 1HB CYS 8 1.502 2.054 -3.535 69 H PHE 9 H PHE 9 4.561 0.168 -2.336 70 HA PHE 9 HA PHE 9 4.375 -2.514 -1.119 71 1HB PHE 9 2HB PHE 9 6.662 -0.511 -0.987 72 2HB PHE 9 1HB PHE 9 6.737 -2.213 -0.579 73 HD1 PHE 9 HD1 PHE 9 6.294 0.181 -3.397 74 HD2 PHE 9 HD2 PHE 9 6.929 -3.895 -2.313 75 HE1 PHE 9 HE1 PHE 9 6.799 -0.360 -5.728 76 HE2 PHE 9 HE2 PHE 9 7.433 -4.430 -4.653 77 HZ PHE 9 HZ PHE 9 7.371 -2.666 -6.365 78 H GLN 10 H GLN 10 4.613 -2.927 1.027 79 HA GLN 10 HA GLN 10 3.150 -1.406 2.840 80 1HB GLN 10 2HB GLN 10 5.304 -3.422 3.587 81 2HB GLN 10 1HB GLN 10 3.886 -3.007 4.529 82 1HG GLN 10 2HG GLN 10 3.879 -4.465 1.832 83 2HG GLN 10 1HG GLN 10 3.533 -5.168 3.397 84 1HE2 GLN 10 2HE2 GLN 10 0.199 -4.020 3.513 85 2HE2 GLN 10 1HE2 GLN 10 1.463 -4.779 4.356 86 H HIS 11 H HIS 11 6.317 -0.995 1.807 87 HA HIS 11 HA HIS 11 7.124 0.688 4.134 88 1HB HIS 11 2HB HIS 11 8.892 -0.231 1.821 89 2HB HIS 11 1HB HIS 11 9.408 0.373 3.390 90 HD1 HIS 11 HD1 HIS 11 9.473 -2.653 1.877 91 HD2 HIS 11 HD2 HIS 11 7.811 -1.550 5.437 92 HE1 HIS 11 HE1 HIS 11 9.259 -4.716 3.214 93 H LEU 12 H LEU 12 6.940 0.592 0.630 94 HA LEU 12 HA LEU 12 7.339 3.522 0.414 95 1HB LEU 12 2HB LEU 12 6.902 1.410 -1.743 96 2HB LEU 12 1HB LEU 12 7.342 3.073 -2.043 97 HG LEU 12 HG LEU 12 9.102 1.312 -0.278 98 1HD1 LEU 12 3HD1 LEU 12 9.152 1.539 -3.317 99 2HD1 LEU 12 2HD1 LEU 12 10.452 0.848 -2.358 100 3HD1 LEU 12 1HD1 LEU 12 8.874 0.083 -2.376 101 1HD2 LEU 12 3HD2 LEU 12 9.663 3.763 -2.016 102 2HD2 LEU 12 2HD2 LEU 12 9.538 3.762 -0.265 103 3HD2 LEU 12 1HD2 LEU 12 10.855 2.913 -1.046 104 H ASP 13 H ASP 13 5.291 3.426 1.799 105 HA ASP 13 HA ASP 13 2.758 3.070 0.377 106 1HB ASP 13 2HB ASP 13 3.159 4.465 3.067 107 2HB ASP 13 1HB ASP 13 1.734 3.618 2.483 108 H ASP 14 H ASP 14 3.119 4.386 -1.320 109 HA ASP 14 HA ASP 14 3.473 7.291 -1.025 110 1HB ASP 14 2HB ASP 14 3.233 6.982 -3.688 111 2HB ASP 14 1HB ASP 14 4.716 6.566 -2.854 112 H CYS 15 H CYS 15 0.913 5.385 -0.630 113 HA CYS 15 HA CYS 15 -1.131 6.456 -2.293 114 1HB CYS 15 2HB CYS 15 -1.540 5.437 0.505 115 2HB CYS 15 1HB CYS 15 -2.615 5.325 -0.859 116 H CYS 16 H CYS 16 -2.891 7.817 -1.637 117 HA CYS 16 HA CYS 16 -2.024 10.325 -0.536 118 1HB CYS 16 2HB CYS 16 -4.130 9.587 -2.092 119 2HB CYS 16 1HB CYS 16 -4.947 9.601 -0.556 120 H SER 17 H SER 17 -3.653 7.513 0.656 121 HA SER 17 HA SER 17 -4.130 8.519 3.354 122 1HB SER 17 2HB SER 17 -5.024 6.183 3.669 123 2HB SER 17 1HB SER 17 -5.714 6.908 2.209 124 HG SER 17 HG SER 17 -4.589 4.720 2.140 125 H ARG 18 H ARG 18 -1.680 7.087 1.576 126 HA ARG 18 HA ARG 18 0.431 6.258 2.001 127 1HB ARG 18 2HB ARG 18 0.034 7.501 4.785 128 2HB ARG 18 1HB ARG 18 1.565 7.082 4.058 129 1HG ARG 18 2HG ARG 18 -0.317 9.083 2.737 130 2HG ARG 18 1HG ARG 18 0.854 9.569 3.942 131 1HD ARG 18 2HD ARG 18 2.718 8.893 2.588 132 2HD ARG 18 1HD ARG 18 1.686 7.982 1.490 133 HE ARG 18 HE ARG 18 1.177 10.886 1.661 134 1HH1 ARG 18 2HH1 ARG 18 0.121 10.602 -0.633 135 2HH1 ARG 18 1HH1 ARG 18 1.323 10.357 -1.858 136 1HH2 ARG 18 1HH2 ARG 18 3.814 9.513 0.442 137 2HH2 ARG 18 2HH2 ARG 18 3.453 9.728 -1.238 138 H LYS 19 H LYS 19 -1.912 4.656 2.511 139 HA LYS 19 HA LYS 19 -0.814 2.667 4.423 140 1HB LYS 19 2HB LYS 19 -3.621 3.671 3.958 141 2HB LYS 19 1HB LYS 19 -3.316 2.102 4.640 142 1HG LYS 19 2HG LYS 19 -1.643 3.844 6.147 143 2HG LYS 19 1HG LYS 19 -3.077 4.796 5.846 144 1HD LYS 19 2HD LYS 19 -3.607 3.697 7.859 145 2HD LYS 19 1HD LYS 19 -4.424 2.717 6.659 146 1HE LYS 19 2HE LYS 19 -3.236 1.217 8.169 147 2HE LYS 19 1HE LYS 19 -2.374 1.187 6.638 148 1HZ LYS 19 3HZ LYS 19 -1.453 3.258 8.379 149 2HZ LYS 19 2HZ LYS 19 -1.305 1.714 9.071 150 3HZ LYS 19 1HZ LYS 19 -0.581 2.046 7.570 151 H CYS 20 H CYS 20 -0.282 0.830 3.405 152 HA CYS 20 HA CYS 20 -1.719 0.063 0.935 153 1HB CYS 20 2HB CYS 20 1.167 -0.370 1.773 154 2HB CYS 20 1HB CYS 20 0.443 -0.978 0.325 155 H ASN 21 H ASN 21 -2.964 -1.627 1.358 156 HA ASN 21 HA ASN 21 -2.830 -3.210 3.728 157 1HB ASN 21 2HB ASN 21 -4.691 -4.464 2.730 158 2HB ASN 21 1HB ASN 21 -4.904 -2.752 2.445 159 1HD2 ASN 21 2HD2 ASN 21 -5.660 -4.145 -0.791 160 2HD2 ASN 21 1HD2 ASN 21 -6.376 -3.884 0.727 161 H ARG 22 H ARG 22 -3.211 -5.673 3.343 162 HA ARG 22 HA ARG 22 -0.724 -6.882 3.061 163 1HB ARG 22 2HB ARG 22 -2.117 -9.027 3.119 164 2HB ARG 22 1HB ARG 22 -2.333 -7.925 4.456 165 1HG ARG 22 2HG ARG 22 -4.490 -7.314 3.810 166 2HG ARG 22 1HG ARG 22 -4.181 -7.537 2.105 167 1HD ARG 22 2HD ARG 22 -5.688 -9.314 2.825 168 2HD ARG 22 1HD ARG 22 -4.123 -10.050 2.507 169 HE ARG 22 HE ARG 22 -3.805 -10.350 4.862 170 1HH1 ARG 22 1HH2 ARG 22 -4.897 -7.815 5.873 171 2HH1 ARG 22 2HH2 ARG 22 -6.373 -8.296 6.642 172 1HH2 ARG 22 2HH1 ARG 22 -6.442 -11.395 5.006 173 2HH2 ARG 22 1HH1 ARG 22 -7.270 -10.378 6.137 174 H PHE 23 H PHE 23 -3.050 -6.157 0.672 175 HA PHE 23 HA PHE 23 -2.040 -8.125 -1.289 176 1HB PHE 23 2HB PHE 23 -4.342 -6.180 -1.120 177 2HB PHE 23 1HB PHE 23 -3.777 -6.622 -2.715 178 HD1 PHE 23 HD2 PHE 23 -3.894 -8.833 0.319 179 HD2 PHE 23 HD1 PHE 23 -5.539 -7.961 -3.519 180 HE1 PHE 23 HE2 PHE 23 -5.199 -10.898 0.406 181 HE2 PHE 23 HE1 PHE 23 -6.841 -10.032 -3.424 182 HZ PHE 23 HZ PHE 23 -6.676 -11.507 -1.462 183 H ASN 24 H ASN 24 -0.617 -5.672 -0.095 184 HA ASN 24 HA ASN 24 0.852 -4.003 -0.744 185 1HB ASN 24 2HB ASN 24 1.149 -5.929 -3.118 186 2HB ASN 24 1HB ASN 24 2.308 -4.674 -2.696 187 1HD2 ASN 24 2HD2 ASN 24 1.999 -8.018 -0.337 188 2HD2 ASN 24 1HD2 ASN 24 0.731 -7.608 -1.388 189 H LYS 25 H LYS 25 -1.768 -3.557 -1.307 190 HA LYS 25 HA LYS 25 -1.669 -1.735 -3.658 191 1HB LYS 25 2HB LYS 25 -3.693 -3.786 -2.766 192 2HB LYS 25 1HB LYS 25 -4.310 -2.306 -3.452 193 1HG LYS 25 2HG LYS 25 -2.662 -2.725 -5.425 194 2HG LYS 25 1HG LYS 25 -2.395 -4.308 -4.740 195 1HD LYS 25 2HD LYS 25 -5.191 -3.296 -5.412 196 2HD LYS 25 1HD LYS 25 -4.191 -4.102 -6.604 197 1HE LYS 25 2HE LYS 25 -5.041 -5.306 -3.934 198 2HE LYS 25 1HE LYS 25 -5.709 -5.719 -5.502 199 1HZ LYS 25 3HZ LYS 25 -3.420 -6.357 -6.180 200 2HZ LYS 25 2HZ LYS 25 -2.947 -6.180 -4.560 201 3HZ LYS 25 1HZ LYS 25 -4.114 -7.339 -4.980 202 H CYS 26 H CYS 26 -2.935 0.232 -3.287 203 HA CYS 26 HA CYS 26 -2.593 1.220 -0.628 204 1HB CYS 26 2HB CYS 26 -3.970 2.296 -3.061 205 2HB CYS 26 1HB CYS 26 -3.891 3.189 -1.579 206 H VAL 27 H VAL 27 -4.286 2.448 0.431 207 HA VAL 27 HA VAL 27 -6.876 0.961 0.636 208 HB VAL 27 HB VAL 27 -5.212 2.153 2.913 209 1HG1 VAL 27 2HG1 VAL 27 -7.856 0.635 2.867 210 2HG1 VAL 27 1HG1 VAL 27 -6.873 0.768 4.317 211 3HG1 VAL 27 3HG1 VAL 27 -7.533 2.210 3.575 212 1HG2 VAL 27 3HG2 VAL 27 -5.685 -0.744 2.080 213 2HG2 VAL 27 2HG2 VAL 27 -4.153 0.104 1.982 214 3HG2 VAL 27 1HG2 VAL 27 -4.850 -0.259 3.547 No H/Q in entry = 214 Start of MODEL 8 1 1H CYS 1 1H CYS 1 0.792 11.380 -5.076 2 2H CYS 1 3H CYS 1 -0.524 12.451 -5.152 3 3H CYS 1 2H CYS 1 0.714 12.710 -4.019 4 HA CYS 1 HA CYS 1 0.136 10.644 -2.894 5 1HB CYS 1 2HB CYS 1 -1.402 11.807 -1.655 6 2HB CYS 1 1HB CYS 1 -1.109 13.098 -2.767 7 H ARG 2 H ARG 2 -0.143 8.689 -3.736 8 HA ARG 2 HA ARG 2 -1.648 8.094 -6.097 9 1HB ARG 2 2HB ARG 2 -0.002 6.613 -4.134 10 2HB ARG 2 1HB ARG 2 -1.300 5.632 -4.765 11 1HG ARG 2 2HG ARG 2 0.555 7.246 -6.562 12 2HG ARG 2 1HG ARG 2 0.926 5.610 -6.071 13 1HD ARG 2 2HD ARG 2 -0.236 5.010 -7.956 14 2HD ARG 2 1HD ARG 2 -1.665 5.263 -6.966 15 HE ARG 2 HE ARG 2 -1.965 7.431 -7.996 16 1HH1 ARG 2 2HH1 ARG 2 1.144 7.502 -8.494 17 2HH1 ARG 2 1HH1 ARG 2 1.153 7.591 -10.223 18 1HH2 ARG 2 1HH2 ARG 2 -2.227 6.694 -10.480 19 2HH2 ARG 2 2HH2 ARG 2 -0.809 7.121 -11.379 20 H ILE 3 H ILE 3 -3.439 6.742 -6.370 21 HA ILE 3 HA ILE 3 -5.597 7.347 -4.518 22 HB ILE 3 HB ILE 3 -6.836 5.769 -6.280 23 1HG1 ILE 3 2HG1 ILE 3 -4.428 5.193 -7.265 24 2HG1 ILE 3 1HG1 ILE 3 -5.842 5.281 -8.283 25 1HG2 ILE 3 3HG2 ILE 3 -5.892 8.604 -6.802 26 2HG2 ILE 3 2HG2 ILE 3 -7.116 7.797 -7.774 27 3HG2 ILE 3 1HG2 ILE 3 -7.398 8.084 -6.067 28 1HD1 ILE 3 3HD1 ILE 3 -4.043 7.707 -7.893 29 2HD1 ILE 3 2HD1 ILE 3 -3.728 6.495 -9.121 30 3HD1 ILE 3 1HD1 ILE 3 -5.219 7.413 -9.165 31 HA HYP 4 HA HYP 4 -5.932 3.531 -2.174 32 1HB HYP 4 1HB HYP 4 -8.098 3.342 -1.447 33 2HB HYP 4 2HB HYP 4 -8.760 3.386 -3.071 34 1HD HYP 4 1HD1 HYP 4 -6.812 6.895 -2.773 35 2HD HYP 4 2HD1 HYP 4 -7.817 6.398 -4.146 36 HOD HYP 4 HD2 HYP 4 -6.962 5.348 -0.874 37 HG HYP 4 HG HYP 4 -9.324 5.632 -2.438 38 H ASN 5 H ASN 5 -6.284 1.343 -2.395 39 HA ASN 5 HA ASN 5 -5.940 -0.707 -3.356 40 1HB ASN 5 2HB ASN 5 -7.636 -1.411 -4.874 41 2HB ASN 5 1HB ASN 5 -8.375 -0.143 -3.923 42 1HD2 ASN 5 2HD2 ASN 5 -7.614 0.559 -7.901 43 2HD2 ASN 5 1HD2 ASN 5 -6.713 -0.626 -7.087 44 H GLN 6 H GLN 6 -4.582 1.867 -4.858 45 HA GLN 6 HA GLN 6 -3.737 0.563 -7.334 46 1HB GLN 6 2HB GLN 6 -3.991 3.101 -6.912 47 2HB GLN 6 1HB GLN 6 -2.484 3.014 -6.029 48 1HG GLN 6 2HG GLN 6 -1.263 2.986 -7.961 49 2HG GLN 6 1HG GLN 6 -2.162 1.621 -8.586 50 1HE2 GLN 6 2HE2 GLN 6 -4.670 3.863 -10.109 51 2HE2 GLN 6 1HE2 GLN 6 -4.686 2.547 -9.035 52 H LYS 7 H LYS 7 -1.945 -0.648 -7.592 53 HA LYS 7 HA LYS 7 -0.641 -1.928 -5.509 54 1HB LYS 7 2HB LYS 7 0.815 -2.837 -7.131 55 2HB LYS 7 1HB LYS 7 -0.671 -2.508 -7.977 56 1HG LYS 7 2HG LYS 7 0.725 -1.581 -9.525 57 2HG LYS 7 1HG LYS 7 0.590 -0.164 -8.512 58 1HD LYS 7 2HD LYS 7 2.657 -1.230 -7.209 59 2HD LYS 7 1HD LYS 7 2.821 -2.236 -8.627 60 1HE LYS 7 2HE LYS 7 3.039 -0.219 -10.056 61 2HE LYS 7 1HE LYS 7 2.807 0.814 -8.651 62 1HZ LYS 7 3HZ LYS 7 4.799 -0.804 -7.859 63 2HZ LYS 7 2HZ LYS 7 5.137 -0.618 -9.512 64 3HZ LYS 7 1HZ LYS 7 5.002 0.748 -8.514 65 H CYS 8 H CYS 8 0.550 -1.254 -3.975 66 HA CYS 8 HA CYS 8 2.762 0.680 -4.384 67 1HB CYS 8 2HB CYS 8 2.108 1.895 -2.341 68 2HB CYS 8 1HB CYS 8 0.911 2.010 -3.596 69 H PHE 9 H PHE 9 4.069 0.799 -2.298 70 HA PHE 9 HA PHE 9 4.444 -1.979 -1.238 71 1HB PHE 9 2HB PHE 9 6.415 0.264 -1.803 72 2HB PHE 9 1HB PHE 9 6.851 -1.160 -0.871 73 HD1 PHE 9 HD1 PHE 9 5.634 -0.013 -4.200 74 HD2 PHE 9 HD2 PHE 9 7.245 -3.274 -1.972 75 HE1 PHE 9 HE1 PHE 9 5.994 -1.261 -6.279 76 HE2 PHE 9 HE2 PHE 9 7.601 -4.516 -4.056 77 HZ PHE 9 HZ PHE 9 6.977 -3.513 -6.212 78 H GLN 10 H GLN 10 4.454 -2.290 0.895 79 HA GLN 10 HA GLN 10 3.302 -0.469 2.665 80 1HB GLN 10 2HB GLN 10 5.006 -2.953 3.117 81 2HB GLN 10 1HB GLN 10 4.339 -2.058 4.465 82 1HG GLN 10 2HG GLN 10 2.709 -3.746 4.041 83 2HG GLN 10 1HG GLN 10 2.025 -2.314 3.288 84 1HE2 GLN 10 2HE2 GLN 10 3.335 -5.412 0.957 85 2HE2 GLN 10 1HE2 GLN 10 3.769 -5.344 2.596 86 H HIS 11 H HIS 11 6.607 -1.209 1.936 87 HA HIS 11 HA HIS 11 7.858 0.400 3.960 88 1HB HIS 11 2HB HIS 11 8.894 -1.531 2.578 89 2HB HIS 11 1HB HIS 11 9.082 -0.366 1.274 90 HD1 HIS 11 HD1 HIS 11 11.063 1.189 1.546 91 HD2 HIS 11 HD2 HIS 11 10.305 -0.811 5.022 92 HE1 HIS 11 HE1 HIS 11 12.928 1.721 3.071 93 H LEU 12 H LEU 12 7.111 0.906 0.572 94 HA LEU 12 HA LEU 12 7.640 3.846 0.854 95 1HB LEU 12 2HB LEU 12 7.733 1.982 -1.562 96 2HB LEU 12 1HB LEU 12 7.847 3.723 -1.702 97 HG LEU 12 HG LEU 12 9.742 2.226 0.155 98 1HD1 LEU 12 3HD1 LEU 12 10.141 2.687 -2.830 99 2HD1 LEU 12 2HD1 LEU 12 11.357 2.072 -1.722 100 3HD1 LEU 12 1HD1 LEU 12 9.922 1.124 -2.061 101 1HD2 LEU 12 2HD2 LEU 12 9.853 4.863 -1.376 102 2HD2 LEU 12 1HD2 LEU 12 9.756 4.662 0.366 103 3HD2 LEU 12 3HD2 LEU 12 11.215 4.200 -0.490 104 H ASP 13 H ASP 13 5.556 3.673 1.942 105 HA ASP 13 HA ASP 13 3.161 3.179 0.404 106 1HB ASP 13 2HB ASP 13 3.621 3.311 3.064 107 2HB ASP 13 1HB ASP 13 3.092 4.969 2.853 108 H ASP 14 H ASP 14 3.138 4.304 -1.365 109 HA ASP 14 HA ASP 14 3.615 7.198 -1.494 110 1HB ASP 14 2HB ASP 14 3.084 6.691 -3.987 111 2HB ASP 14 1HB ASP 14 4.537 5.976 -3.316 112 H CYS 15 H CYS 15 0.980 5.199 -0.892 113 HA CYS 15 HA CYS 15 -1.150 6.426 -2.260 114 1HB CYS 15 2HB CYS 15 -1.334 5.321 0.521 115 2HB CYS 15 1HB CYS 15 -2.543 5.287 -0.737 116 H CYS 16 H CYS 16 -2.763 7.780 -1.578 117 HA CYS 16 HA CYS 16 -1.881 10.244 -0.353 118 1HB CYS 16 2HB CYS 16 -3.832 9.635 -2.137 119 2HB CYS 16 1HB CYS 16 -4.810 9.596 -0.703 120 H SER 17 H SER 17 -3.702 7.447 0.583 121 HA SER 17 HA SER 17 -4.489 8.390 3.213 122 1HB SER 17 2HB SER 17 -5.326 6.040 3.424 123 2HB SER 17 1HB SER 17 -5.799 6.679 1.846 124 HG SER 17 HG SER 17 -3.783 5.796 1.064 125 H ARG 18 H ARG 18 -1.710 7.176 1.785 126 HA ARG 18 HA ARG 18 0.368 6.482 2.538 127 1HB ARG 18 2HB ARG 18 -0.551 7.575 5.244 128 2HB ARG 18 1HB ARG 18 1.102 7.331 4.729 129 1HG ARG 18 2HG ARG 18 0.818 9.018 2.926 130 2HG ARG 18 1HG ARG 18 -0.842 9.287 3.424 131 1HD ARG 18 2HD ARG 18 1.501 9.663 5.336 132 2HD ARG 18 1HD ARG 18 0.855 10.965 4.346 133 HE ARG 18 HE ARG 18 -1.288 10.737 5.530 134 1HH1 ARG 18 1HH2 ARG 18 -1.735 8.355 6.726 135 2HH1 ARG 18 2HH2 ARG 18 -1.046 8.417 8.313 136 1HH2 ARG 18 2HH1 ARG 18 0.991 11.160 7.542 137 2HH2 ARG 18 1HH1 ARG 18 0.535 10.045 8.787 138 H LYS 19 H LYS 19 -1.995 4.779 2.689 139 HA LYS 19 HA LYS 19 -1.043 2.740 4.621 140 1HB LYS 19 2HB LYS 19 -3.784 3.842 4.062 141 2HB LYS 19 1HB LYS 19 -3.621 2.175 4.544 142 1HG LYS 19 2HG LYS 19 -2.698 2.760 6.677 143 2HG LYS 19 1HG LYS 19 -2.256 4.372 6.139 144 1HD LYS 19 2HD LYS 19 -4.662 4.985 5.960 145 2HD LYS 19 1HD LYS 19 -5.116 3.379 6.506 146 1HE LYS 19 2HE LYS 19 -3.933 3.777 8.664 147 2HE LYS 19 1HE LYS 19 -3.461 5.379 8.110 148 1HZ LYS 19 2HZ LYS 19 -6.295 4.698 8.021 149 2HZ LYS 19 1HZ LYS 19 -5.596 4.981 9.543 150 3HZ LYS 19 3HZ LYS 19 -5.538 6.183 8.346 151 H CYS 20 H CYS 20 -0.478 0.932 3.626 152 HA CYS 20 HA CYS 20 -1.695 0.205 1.023 153 1HB CYS 20 2HB CYS 20 1.160 0.097 2.036 154 2HB CYS 20 1HB CYS 20 0.636 -0.888 0.711 155 H ASN 21 H ASN 21 -2.907 -1.531 1.386 156 HA ASN 21 HA ASN 21 -2.781 -3.121 3.777 157 1HB ASN 21 2HB ASN 21 -4.473 -4.592 2.451 158 2HB ASN 21 1HB ASN 21 -4.926 -2.929 2.755 159 1HD2 ASN 21 2HD2 ASN 21 -3.498 -3.513 -1.036 160 2HD2 ASN 21 1HD2 ASN 21 -2.582 -4.014 0.295 161 H ARG 22 H ARG 22 -2.930 -5.585 3.496 162 HA ARG 22 HA ARG 22 -0.375 -6.590 3.040 163 1HB ARG 22 2HB ARG 22 -1.403 -8.770 3.524 164 2HB ARG 22 1HB ARG 22 -1.982 -7.545 4.620 165 1HG ARG 22 2HG ARG 22 -4.107 -8.126 4.061 166 2HG ARG 22 1HG ARG 22 -3.838 -7.423 2.482 167 1HD ARG 22 2HD ARG 22 -4.587 -9.720 2.174 168 2HD ARG 22 1HD ARG 22 -2.887 -9.661 1.724 169 HE ARG 22 HE ARG 22 -3.710 -10.503 4.475 170 1HH1 ARG 22 1HH2 ARG 22 -0.951 -10.729 4.251 171 2HH1 ARG 22 2HH2 ARG 22 -0.643 -12.281 3.548 172 1HH2 ARG 22 2HH1 ARG 22 -3.924 -12.601 2.350 173 2HH2 ARG 22 1HH1 ARG 22 -2.375 -13.373 2.441 174 H PHE 23 H PHE 23 -2.810 -5.971 0.760 175 HA PHE 23 HA PHE 23 -1.964 -8.035 -1.158 176 1HB PHE 23 2HB PHE 23 -4.047 -5.811 -1.197 177 2HB PHE 23 1HB PHE 23 -3.747 -6.864 -2.559 178 HD1 PHE 23 HD1 PHE 23 -3.837 -9.457 -2.055 179 HD2 PHE 23 HD2 PHE 23 -5.626 -6.484 0.422 180 HE1 PHE 23 HE1 PHE 23 -5.329 -11.150 -1.097 181 HE2 PHE 23 HE2 PHE 23 -7.117 -8.181 1.376 182 HZ PHE 23 HZ PHE 23 -6.972 -10.517 0.619 183 H ASN 24 H ASN 24 -0.477 -5.523 -0.086 184 HA ASN 24 HA ASN 24 0.973 -3.895 -0.843 185 1HB ASN 24 2HB ASN 24 1.239 -6.131 -2.919 186 2HB ASN 24 1HB ASN 24 2.286 -4.716 -2.954 187 1HD2 ASN 24 2HD2 ASN 24 2.531 -7.194 0.329 188 2HD2 ASN 24 1HD2 ASN 24 1.046 -7.042 -0.480 189 H LYS 25 H LYS 25 -1.581 -3.377 -1.300 190 HA LYS 25 HA LYS 25 -1.556 -1.678 -3.732 191 1HB LYS 25 2HB LYS 25 -3.568 -3.706 -2.749 192 2HB LYS 25 1HB LYS 25 -4.190 -2.233 -3.444 193 1HG LYS 25 2HG LYS 25 -3.256 -2.747 -5.590 194 2HG LYS 25 1HG LYS 25 -2.036 -3.795 -4.904 195 1HD LYS 25 2HD LYS 25 -3.689 -5.185 -6.017 196 2HD LYS 25 1HD LYS 25 -3.795 -5.462 -4.295 197 1HE LYS 25 2HE LYS 25 -5.603 -3.420 -5.649 198 2HE LYS 25 1HE LYS 25 -6.022 -5.123 -5.608 199 1HZ LYS 25 1HZ LYS 25 -5.383 -4.708 -3.063 200 2HZ LYS 25 3HZ LYS 25 -5.998 -3.180 -3.475 201 3HZ LYS 25 2HZ LYS 25 -6.956 -4.566 -3.684 202 H CYS 26 H CYS 26 -3.093 0.216 -3.353 203 HA CYS 26 HA CYS 26 -2.559 1.260 -0.703 204 1HB CYS 26 2HB CYS 26 -4.019 2.297 -3.117 205 2HB CYS 26 1HB CYS 26 -3.919 3.203 -1.636 206 H VAL 27 H VAL 27 -4.328 2.458 0.385 207 HA VAL 27 HA VAL 27 -6.823 0.823 0.590 208 HB VAL 27 HB VAL 27 -5.255 2.047 2.906 209 1HG1 VAL 27 2HG1 VAL 27 -7.611 0.106 2.787 210 2HG1 VAL 27 1HG1 VAL 27 -6.727 0.476 4.257 211 3HG1 VAL 27 3HG1 VAL 27 -7.639 1.736 3.446 212 1HG2 VAL 27 3HG2 VAL 27 -5.327 -0.829 1.878 213 2HG2 VAL 27 2HG2 VAL 27 -3.919 0.212 1.936 214 3HG2 VAL 27 1HG2 VAL 27 -4.636 -0.366 3.423 No H/Q in entry = 214 Start of MODEL 9 1 1H CYS 1 2H CYS 1 -1.110 12.953 -5.023 2 2H CYS 1 1H CYS 1 0.084 13.331 -3.875 3 3H CYS 1 3H CYS 1 0.340 12.073 -4.987 4 HA CYS 1 HA CYS 1 -0.203 11.141 -2.858 5 1HB CYS 1 2HB CYS 1 -1.838 12.050 -1.541 6 2HB CYS 1 1HB CYS 1 -1.731 13.413 -2.594 7 H ARG 2 H ARG 2 -0.448 9.139 -3.572 8 HA ARG 2 HA ARG 2 -1.770 8.456 -6.035 9 1HB ARG 2 2HB ARG 2 0.009 7.196 -4.125 10 2HB ARG 2 1HB ARG 2 -1.289 6.085 -4.456 11 1HG ARG 2 2HG ARG 2 -0.207 7.362 -6.919 12 2HG ARG 2 1HG ARG 2 1.009 6.509 -6.000 13 1HD ARG 2 2HD ARG 2 -0.973 4.632 -5.917 14 2HD ARG 2 1HD ARG 2 -1.387 5.430 -7.428 15 HE ARG 2 HE ARG 2 0.631 4.613 -8.374 16 1HH1 ARG 2 1HH2 ARG 2 2.914 4.927 -7.131 17 2HH1 ARG 2 2HH2 ARG 2 3.231 3.547 -6.133 18 1HH2 ARG 2 2HH1 ARG 2 -0.099 2.479 -6.177 19 2HH2 ARG 2 1HH1 ARG 2 1.491 2.138 -5.579 20 H ILE 3 H ILE 3 -3.462 6.949 -6.383 21 HA ILE 3 HA ILE 3 -5.739 7.424 -4.664 22 HB ILE 3 HB ILE 3 -6.948 6.195 -6.449 23 1HG1 ILE 3 2HG1 ILE 3 -4.191 5.730 -7.677 24 2HG1 ILE 3 1HG1 ILE 3 -5.211 4.493 -6.969 25 1HG2 ILE 3 2HG2 ILE 3 -6.272 8.659 -6.665 26 2HG2 ILE 3 1HG2 ILE 3 -4.952 8.128 -7.693 27 3HG2 ILE 3 3HG2 ILE 3 -6.615 7.852 -8.183 28 1HD1 ILE 3 2HD1 ILE 3 -7.005 5.472 -8.714 29 2HD1 ILE 3 1HD1 ILE 3 -5.540 5.925 -9.568 30 3HD1 ILE 3 3HD1 ILE 3 -5.842 4.242 -9.173 31 HA HYP 4 HA HYP 4 -5.834 3.618 -2.314 32 1HB HYP 4 1HB HYP 4 -7.935 3.411 -1.482 33 2HB HYP 4 2HB HYP 4 -8.631 3.106 -3.066 34 1HD HYP 4 1HD1 HYP 4 -7.151 6.892 -3.167 35 2HD HYP 4 2HD1 HYP 4 -7.988 6.134 -4.532 36 HOD HYP 4 HD2 HYP 4 -8.546 6.663 -1.325 37 HG HYP 4 HG HYP 4 -9.488 5.312 -2.865 38 H ASN 5 H ASN 5 -6.290 1.354 -2.469 39 HA ASN 5 HA ASN 5 -5.827 -0.694 -3.382 40 1HB ASN 5 2HB ASN 5 -7.444 -1.438 -5.018 41 2HB ASN 5 1HB ASN 5 -8.240 -0.291 -3.963 42 1HD2 ASN 5 2HD2 ASN 5 -9.089 1.895 -6.563 43 2HD2 ASN 5 1HD2 ASN 5 -9.227 1.487 -4.921 44 H GLN 6 H GLN 6 -4.274 1.734 -4.730 45 HA GLN 6 HA GLN 6 -3.463 0.462 -7.248 46 1HB GLN 6 2HB GLN 6 -3.661 3.040 -6.649 47 2HB GLN 6 1HB GLN 6 -2.051 2.822 -6.008 48 1HG GLN 6 2HG GLN 6 -1.365 3.186 -8.187 49 2HG GLN 6 1HG GLN 6 -1.825 1.519 -8.455 50 1HE2 GLN 6 2HE2 GLN 6 -3.836 4.414 -10.338 51 2HE2 GLN 6 1HE2 GLN 6 -2.385 4.681 -9.499 52 H LYS 7 H LYS 7 -1.729 -0.726 -7.521 53 HA LYS 7 HA LYS 7 -0.449 -2.169 -5.596 54 1HB LYS 7 2HB LYS 7 -0.123 -1.694 -8.426 55 2HB LYS 7 1HB LYS 7 1.473 -1.816 -7.727 56 1HG LYS 7 2HG LYS 7 -0.697 -3.838 -7.065 57 2HG LYS 7 1HG LYS 7 0.307 -4.011 -8.484 58 1HD LYS 7 2HD LYS 7 1.686 -3.511 -5.835 59 2HD LYS 7 1HD LYS 7 1.026 -5.106 -6.136 60 1HE LYS 7 2HE LYS 7 2.363 -5.331 -8.180 61 2HE LYS 7 1HE LYS 7 2.938 -3.675 -8.030 62 1HZ LYS 7 1HZ LYS 7 3.427 -5.846 -6.078 63 2HZ LYS 7 3HZ LYS 7 4.545 -5.264 -7.216 64 3HZ LYS 7 2HZ LYS 7 4.004 -4.253 -5.963 65 H CYS 8 H CYS 8 0.321 -1.261 -3.833 66 HA CYS 8 HA CYS 8 2.882 0.237 -3.990 67 1HB CYS 8 2HB CYS 8 2.157 1.805 -2.316 68 2HB CYS 8 1HB CYS 8 1.036 1.860 -3.644 69 H PHE 9 H PHE 9 4.265 -0.214 -2.278 70 HA PHE 9 HA PHE 9 3.612 -2.690 -0.819 71 1HB PHE 9 2HB PHE 9 5.946 -1.757 -2.007 72 2HB PHE 9 1HB PHE 9 6.267 -1.453 -0.312 73 HD1 PHE 9 HD2 PHE 9 6.072 -3.380 1.346 74 HD2 PHE 9 HD1 PHE 9 5.897 -3.987 -2.871 75 HE1 PHE 9 HE2 PHE 9 6.532 -5.766 1.666 76 HE2 PHE 9 HE1 PHE 9 6.361 -6.371 -2.546 77 HZ PHE 9 HZ PHE 9 6.679 -7.267 -0.278 78 H GLN 10 H GLN 10 4.024 -2.982 1.347 79 HA GLN 10 HA GLN 10 2.783 -1.199 3.097 80 1HB GLN 10 2HB GLN 10 4.651 -3.542 3.632 81 2HB GLN 10 1HB GLN 10 3.761 -2.725 4.897 82 1HG GLN 10 2HG GLN 10 2.352 -4.559 4.350 83 2HG GLN 10 1HG GLN 10 1.620 -3.230 3.470 84 1HE2 GLN 10 2HE2 GLN 10 2.145 -4.716 0.337 85 2HE2 GLN 10 1HE2 GLN 10 1.425 -3.468 1.239 86 H HIS 11 H HIS 11 5.918 -1.253 1.902 87 HA HIS 11 HA HIS 11 7.025 0.528 4.018 88 1HB HIS 11 2HB HIS 11 8.168 -1.527 2.169 89 2HB HIS 11 1HB HIS 11 9.133 -0.068 2.294 90 HD1 HIS 11 HD1 HIS 11 9.467 -3.050 3.688 91 HD2 HIS 11 HD2 HIS 11 8.795 0.531 5.526 92 HE1 HIS 11 HE1 HIS 11 10.261 -3.301 6.010 93 H LEU 12 H LEU 12 6.255 0.228 0.650 94 HA LEU 12 HA LEU 12 7.128 3.022 0.088 95 1HB LEU 12 2HB LEU 12 6.299 0.784 -1.812 96 2HB LEU 12 1HB LEU 12 6.944 2.341 -2.296 97 HG LEU 12 HG LEU 12 8.455 0.318 -0.555 98 1HD1 LEU 12 1HD1 LEU 12 8.768 0.966 -3.513 99 2HD1 LEU 12 3HD1 LEU 12 9.822 -0.091 -2.584 100 3HD1 LEU 12 2HD1 LEU 12 8.146 -0.539 -2.850 101 1HD2 LEU 12 3HD2 LEU 12 9.252 2.992 -1.790 102 2HD2 LEU 12 2HD2 LEU 12 9.314 2.529 -0.096 103 3HD2 LEU 12 1HD2 LEU 12 10.434 1.818 -1.239 104 H ASP 13 H ASP 13 5.281 3.489 1.525 105 HA ASP 13 HA ASP 13 2.593 3.293 0.361 106 1HB ASP 13 2HB ASP 13 3.726 4.499 2.914 107 2HB ASP 13 1HB ASP 13 2.043 4.719 2.460 108 H ASP 14 H ASP 14 2.680 4.376 -1.478 109 HA ASP 14 HA ASP 14 3.470 7.204 -1.646 110 1HB ASP 14 2HB ASP 14 2.696 6.748 -4.108 111 2HB ASP 14 1HB ASP 14 4.157 5.954 -3.551 112 H CYS 15 H CYS 15 0.718 5.267 -1.251 113 HA CYS 15 HA CYS 15 -1.433 6.572 -2.325 114 1HB CYS 15 2HB CYS 15 -1.450 5.478 0.442 115 2HB CYS 15 1HB CYS 15 -2.716 5.352 -0.759 116 H CYS 16 H CYS 16 -3.038 7.878 -1.538 117 HA CYS 16 HA CYS 16 -2.145 10.362 -0.382 118 1HB CYS 16 2HB CYS 16 -4.249 9.663 -1.956 119 2HB CYS 16 1HB CYS 16 -5.066 9.606 -0.423 120 H SER 17 H SER 17 -3.856 7.532 0.698 121 HA SER 17 HA SER 17 -4.297 8.423 3.426 122 1HB SER 17 2HB SER 17 -5.195 6.094 3.668 123 2HB SER 17 1HB SER 17 -5.849 6.831 2.202 124 HG SER 17 HG SER 17 -3.621 5.095 2.447 125 H ARG 18 H ARG 18 -1.734 7.187 1.670 126 HA ARG 18 HA ARG 18 0.356 6.318 2.153 127 1HB ARG 18 2HB ARG 18 -0.280 7.697 4.819 128 2HB ARG 18 1HB ARG 18 1.302 7.076 4.418 129 1HG ARG 18 2HG ARG 18 -0.179 9.141 2.718 130 2HG ARG 18 1HG ARG 18 0.973 9.562 3.963 131 1HD ARG 18 2HD ARG 18 1.567 8.012 1.405 132 2HD ARG 18 1HD ARG 18 2.189 9.586 1.873 133 HE ARG 18 HE ARG 18 2.988 6.985 3.084 134 1HH1 ARG 18 1HH2 ARG 18 3.061 9.374 4.926 135 2HH1 ARG 18 2HH2 ARG 18 4.696 9.914 4.741 136 1HH2 ARG 18 2HH1 ARG 18 5.177 8.056 1.805 137 2HH2 ARG 18 1HH1 ARG 18 5.929 9.147 2.923 138 H LYS 19 H LYS 19 -2.009 4.716 2.618 139 HA LYS 19 HA LYS 19 -0.922 2.696 4.519 140 1HB LYS 19 2HB LYS 19 -3.693 3.787 4.084 141 2HB LYS 19 1HB LYS 19 -3.508 2.113 4.547 142 1HG LYS 19 2HG LYS 19 -2.279 2.748 6.572 143 2HG LYS 19 1HG LYS 19 -2.224 4.428 6.062 144 1HD LYS 19 2HD LYS 19 -4.704 4.561 6.200 145 2HD LYS 19 1HD LYS 19 -4.774 2.873 6.679 146 1HE LYS 19 2HE LYS 19 -3.397 3.410 8.705 147 2HE LYS 19 1HE LYS 19 -3.401 5.106 8.237 148 1HZ LYS 19 1HZ LYS 19 -5.973 3.745 8.416 149 2HZ LYS 19 3HZ LYS 19 -5.171 4.111 9.867 150 3HZ LYS 19 2HZ LYS 19 -5.561 5.353 8.777 151 H CYS 20 H CYS 20 -0.373 0.894 3.530 152 HA CYS 20 HA CYS 20 -1.675 0.119 0.986 153 1HB CYS 20 2HB CYS 20 1.201 -0.053 1.935 154 2HB CYS 20 1HB CYS 20 0.607 -0.895 0.538 155 H ASN 21 H ASN 21 -2.879 -1.585 1.382 156 HA ASN 21 HA ASN 21 -2.728 -3.173 3.769 157 1HB ASN 21 2HB ASN 21 -4.439 -4.638 2.451 158 2HB ASN 21 1HB ASN 21 -4.890 -2.979 2.778 159 1HD2 ASN 21 2HD2 ASN 21 -3.535 -3.650 -1.043 160 2HD2 ASN 21 1HD2 ASN 21 -2.661 -4.238 0.284 161 H ARG 22 H ARG 22 -2.866 -5.632 3.519 162 HA ARG 22 HA ARG 22 -0.317 -6.613 2.961 163 1HB ARG 22 2HB ARG 22 -1.311 -8.807 3.518 164 2HB ARG 22 1HB ARG 22 -1.794 -7.566 4.651 165 1HG ARG 22 2HG ARG 22 -3.959 -7.299 3.317 166 2HG ARG 22 1HG ARG 22 -3.465 -8.679 2.351 167 1HD ARG 22 2HD ARG 22 -3.379 -10.095 4.383 168 2HD ARG 22 1HD ARG 22 -3.860 -8.718 5.375 169 HE ARG 22 HE ARG 22 -5.960 -8.680 3.865 170 1HH1 ARG 22 2HH1 ARG 22 -5.034 -11.087 2.317 171 2HH1 ARG 22 1HH1 ARG 22 -5.913 -12.368 3.086 172 1HH2 ARG 22 1HH2 ARG 22 -6.684 -10.417 5.893 173 2HH2 ARG 22 2HH2 ARG 22 -6.871 -11.977 5.165 174 H PHE 23 H PHE 23 -2.857 -6.037 0.796 175 HA PHE 23 HA PHE 23 -2.131 -8.148 -1.110 176 1HB PHE 23 2HB PHE 23 -4.087 -5.828 -1.407 177 2HB PHE 23 1HB PHE 23 -4.011 -7.294 -2.357 178 HD1 PHE 23 HD1 PHE 23 -4.462 -9.539 -1.190 179 HD2 PHE 23 HD2 PHE 23 -5.382 -5.783 0.602 180 HE1 PHE 23 HE1 PHE 23 -5.999 -10.651 0.366 181 HE2 PHE 23 HE2 PHE 23 -6.915 -6.899 2.155 182 HZ PHE 23 HZ PHE 23 -7.230 -9.334 2.039 183 H ASN 24 H ASN 24 -0.569 -5.649 -0.139 184 HA ASN 24 HA ASN 24 0.914 -4.088 -0.948 185 1HB ASN 24 2HB ASN 24 1.001 -6.159 -3.207 186 2HB ASN 24 1HB ASN 24 2.197 -4.885 -2.980 187 1HD2 ASN 24 2HD2 ASN 24 2.079 -8.020 -0.334 188 2HD2 ASN 24 1HD2 ASN 24 0.735 -7.703 -1.322 189 H LYS 25 H LYS 25 -1.689 -3.479 -1.337 190 HA LYS 25 HA LYS 25 -1.603 -1.738 -3.741 191 1HB LYS 25 2HB LYS 25 -3.689 -3.709 -2.821 192 2HB LYS 25 1HB LYS 25 -4.251 -2.196 -3.474 193 1HG LYS 25 2HG LYS 25 -2.917 -2.626 -5.555 194 2HG LYS 25 1HG LYS 25 -2.304 -4.111 -4.860 195 1HD LYS 25 2HD LYS 25 -5.302 -3.679 -5.100 196 2HD LYS 25 1HD LYS 25 -4.378 -4.200 -6.495 197 1HE LYS 25 2HE LYS 25 -3.561 -6.179 -5.280 198 2HE LYS 25 1HE LYS 25 -4.362 -5.639 -3.810 199 1HZ LYS 25 1HZ LYS 25 -6.092 -5.811 -6.100 200 2HZ LYS 25 3HZ LYS 25 -5.430 -7.296 -5.611 201 3HZ LYS 25 2HZ LYS 25 -6.320 -6.360 -4.509 202 H CYS 26 H CYS 26 -3.072 0.225 -3.346 203 HA CYS 26 HA CYS 26 -2.539 1.220 -0.689 204 1HB CYS 26 2HB CYS 26 -4.065 2.297 -3.046 205 2HB CYS 26 1HB CYS 26 -3.933 3.166 -1.553 206 H VAL 27 H VAL 27 -4.321 2.369 0.470 207 HA VAL 27 HA VAL 27 -6.775 0.671 0.657 208 HB VAL 27 HB VAL 27 -5.258 1.938 2.984 209 1HG1 VAL 27 3HG1 VAL 27 -7.570 -0.054 2.803 210 2HG1 VAL 27 2HG1 VAL 27 -6.677 0.238 4.286 211 3HG1 VAL 27 1HG1 VAL 27 -7.602 1.536 3.552 212 1HG2 VAL 27 2HG2 VAL 27 -5.227 -0.938 1.966 213 2HG2 VAL 27 1HG2 VAL 27 -3.858 0.150 1.968 214 3HG2 VAL 27 3HG2 VAL 27 -4.511 -0.429 3.485 No H/Q in entry = 214 Start of MODEL 10 1 1H CYS 1 3H CYS 1 -0.413 12.305 -5.243 2 2H CYS 1 2H CYS 1 0.810 12.564 -4.091 3 3H CYS 1 1H CYS 1 0.883 11.213 -5.118 4 HA CYS 1 HA CYS 1 0.174 10.529 -2.943 5 1HB CYS 1 2HB CYS 1 -1.349 11.751 -1.740 6 2HB CYS 1 1HB CYS 1 -1.009 13.013 -2.870 7 H ARG 2 H ARG 2 -0.122 8.577 -3.772 8 HA ARG 2 HA ARG 2 -1.645 7.970 -6.119 9 1HB ARG 2 2HB ARG 2 0.034 6.512 -4.175 10 2HB ARG 2 1HB ARG 2 -1.285 5.520 -4.744 11 1HG ARG 2 2HG ARG 2 0.519 7.093 -6.628 12 2HG ARG 2 1HG ARG 2 0.893 5.463 -6.117 13 1HD ARG 2 2HD ARG 2 -0.335 4.828 -7.938 14 2HD ARG 2 1HD ARG 2 -1.735 5.137 -6.917 15 HE ARG 2 HE ARG 2 -2.025 7.276 -8.010 16 1HH1 ARG 2 1HH2 ARG 2 0.918 7.707 -8.578 17 2HH1 ARG 2 2HH2 ARG 2 0.968 7.556 -10.303 18 1HH2 ARG 2 2HH1 ARG 2 -2.188 6.037 -10.455 19 2HH2 ARG 2 1HH1 ARG 2 -0.840 6.585 -11.396 20 H ILE 3 H ILE 3 -3.451 6.609 -6.378 21 HA ILE 3 HA ILE 3 -5.611 7.266 -4.590 22 HB ILE 3 HB ILE 3 -6.910 5.831 -6.257 23 1HG1 ILE 3 2HG1 ILE 3 -4.700 5.905 -8.243 24 2HG1 ILE 3 1HG1 ILE 3 -4.348 4.840 -6.906 25 1HG2 ILE 3 3HG2 ILE 3 -5.211 8.120 -7.328 26 2HG2 ILE 3 2HG2 ILE 3 -6.681 7.521 -8.078 27 3HG2 ILE 3 1HG2 ILE 3 -6.752 8.277 -6.496 28 1HD1 ILE 3 3HD1 ILE 3 -6.890 4.751 -8.554 29 2HD1 ILE 3 2HD1 ILE 3 -5.522 3.658 -8.725 30 3HD1 ILE 3 1HD1 ILE 3 -6.469 3.654 -7.244 31 HA HYP 4 HA HYP 4 -5.997 3.529 -2.079 32 1HB HYP 4 1HB HYP 4 -8.182 3.453 -1.345 33 2HB HYP 4 2HB HYP 4 -8.828 3.454 -2.974 34 1HD HYP 4 1HD1 HYP 4 -6.760 6.906 -2.734 35 2HD HYP 4 2HD1 HYP 4 -7.760 6.440 -4.120 36 HOD HYP 4 HD2 HYP 4 -7.591 6.718 -0.996 37 HG HYP 4 HG HYP 4 -9.340 5.729 -2.483 38 H ASN 5 H ASN 5 -6.226 1.370 -2.286 39 HA ASN 5 HA ASN 5 -6.022 -0.709 -3.200 40 1HB ASN 5 2HB ASN 5 -7.858 -1.381 -4.364 41 2HB ASN 5 1HB ASN 5 -8.432 0.224 -4.014 42 1HD2 ASN 5 2HD2 ASN 5 -7.347 0.843 -7.727 43 2HD2 ASN 5 1HD2 ASN 5 -6.414 1.199 -6.360 44 H GLN 6 H GLN 6 -4.593 1.812 -4.793 45 HA GLN 6 HA GLN 6 -3.738 0.337 -7.162 46 1HB GLN 6 2HB GLN 6 -4.036 2.803 -7.118 47 2HB GLN 6 1HB GLN 6 -2.697 2.953 -5.998 48 1HG GLN 6 2HG GLN 6 -1.953 3.394 -8.326 49 2HG GLN 6 1HG GLN 6 -1.166 1.948 -7.718 50 1HE2 GLN 6 2HE2 GLN 6 -3.938 1.695 -10.731 51 2HE2 GLN 6 1HE2 GLN 6 -3.821 3.105 -9.796 52 H LYS 7 H LYS 7 -1.923 -0.729 -7.471 53 HA LYS 7 HA LYS 7 -0.511 -2.008 -5.468 54 1HB LYS 7 2HB LYS 7 0.121 -1.399 -8.349 55 2HB LYS 7 1HB LYS 7 1.323 -2.217 -7.373 56 1HG LYS 7 2HG LYS 7 -1.553 -3.198 -7.447 57 2HG LYS 7 1HG LYS 7 -0.417 -3.675 -8.685 58 1HD LYS 7 2HD LYS 7 0.583 -3.991 -5.870 59 2HD LYS 7 1HD LYS 7 -0.760 -5.027 -6.302 60 1HE LYS 7 2HE LYS 7 1.339 -6.180 -6.810 61 2HE LYS 7 1HE LYS 7 0.537 -5.796 -8.326 62 1HZ LYS 7 2HZ LYS 7 2.494 -3.930 -7.164 63 2HZ LYS 7 1HZ LYS 7 3.013 -5.279 -8.058 64 3HZ LYS 7 3HZ LYS 7 2.013 -4.113 -8.782 65 H CYS 8 H CYS 8 0.436 -1.039 -3.852 66 HA CYS 8 HA CYS 8 2.684 0.856 -4.353 67 1HB CYS 8 2HB CYS 8 2.002 2.107 -2.363 68 2HB CYS 8 1HB CYS 8 0.784 2.137 -3.607 69 H PHE 9 H PHE 9 4.146 1.020 -2.538 70 HA PHE 9 HA PHE 9 4.753 -1.651 -1.439 71 1HB PHE 9 2HB PHE 9 6.301 0.948 -1.384 72 2HB PHE 9 1HB PHE 9 6.930 -0.589 -0.809 73 HD1 PHE 9 HD2 PHE 9 6.013 1.377 -3.784 74 HD2 PHE 9 HD1 PHE 9 7.459 -2.395 -2.414 75 HE1 PHE 9 HE2 PHE 9 6.709 0.808 -6.067 76 HE2 PHE 9 HE1 PHE 9 8.151 -2.956 -4.699 77 HZ PHE 9 HZ PHE 9 7.778 -1.358 -6.529 78 H GLN 10 H GLN 10 4.806 -2.178 0.658 79 HA GLN 10 HA GLN 10 3.157 -0.894 2.508 80 1HB GLN 10 2HB GLN 10 5.466 -2.816 3.052 81 2HB GLN 10 1HB GLN 10 4.200 -2.443 4.199 82 1HG GLN 10 2HG GLN 10 3.758 -3.763 1.470 83 2HG GLN 10 1HG GLN 10 3.759 -4.602 3.011 84 1HE2 GLN 10 2HE2 GLN 10 0.418 -2.766 1.780 85 2HE2 GLN 10 1HE2 GLN 10 1.775 -2.982 0.787 86 H HIS 11 H HIS 11 6.637 -1.067 2.308 87 HA HIS 11 HA HIS 11 7.217 0.768 4.437 88 1HB HIS 11 2HB HIS 11 8.758 -1.039 3.489 89 2HB HIS 11 1HB HIS 11 9.041 0.016 2.112 90 HD1 HIS 11 HD1 HIS 11 10.498 2.081 2.602 91 HD2 HIS 11 HD2 HIS 11 9.778 -0.109 5.970 92 HE1 HIS 11 HE1 HIS 11 12.007 2.972 4.342 93 H LEU 12 H LEU 12 7.476 1.090 0.939 94 HA LEU 12 HA LEU 12 7.655 4.051 1.159 95 1HB LEU 12 2HB LEU 12 7.880 2.192 -1.269 96 2HB LEU 12 1HB LEU 12 8.141 3.920 -1.303 97 HG LEU 12 HG LEU 12 9.753 2.064 0.514 98 1HD1 LEU 12 3HD1 LEU 12 10.408 3.008 -2.310 99 2HD1 LEU 12 2HD1 LEU 12 11.542 2.210 -1.233 100 3HD1 LEU 12 1HD1 LEU 12 10.126 1.348 -1.807 101 1HD2 LEU 12 3HD2 LEU 12 10.094 4.942 -0.441 102 2HD2 LEU 12 2HD2 LEU 12 9.908 4.384 1.213 103 3HD2 LEU 12 1HD2 LEU 12 11.385 4.039 0.335 104 H ASP 13 H ASP 13 5.543 3.784 2.125 105 HA ASP 13 HA ASP 13 3.220 3.246 0.513 106 1HB ASP 13 2HB ASP 13 3.611 3.508 3.200 107 2HB ASP 13 1HB ASP 13 2.998 5.117 2.880 108 H ASP 14 H ASP 14 3.242 4.320 -1.288 109 HA ASP 14 HA ASP 14 3.696 7.213 -1.475 110 1HB ASP 14 2HB ASP 14 3.285 6.653 -3.965 111 2HB ASP 14 1HB ASP 14 4.692 5.919 -3.219 112 H CYS 15 H CYS 15 1.071 5.298 -0.766 113 HA CYS 15 HA CYS 15 -1.037 6.440 -2.275 114 1HB CYS 15 2HB CYS 15 -1.272 5.403 0.534 115 2HB CYS 15 1HB CYS 15 -2.472 5.374 -0.726 116 H CYS 16 H CYS 16 -2.731 7.740 -1.582 117 HA CYS 16 HA CYS 16 -1.876 10.253 -0.392 118 1HB CYS 16 2HB CYS 16 -3.768 9.618 -2.240 119 2HB CYS 16 1HB CYS 16 -4.788 9.593 -0.831 120 H SER 17 H SER 17 -3.726 7.443 0.444 121 HA SER 17 HA SER 17 -4.561 8.353 3.076 122 1HB SER 17 2HB SER 17 -5.581 6.114 3.180 123 2HB SER 17 1HB SER 17 -5.841 6.716 1.539 124 HG SER 17 HG SER 17 -3.816 5.677 1.009 125 H ARG 18 H ARG 18 -1.694 7.526 1.841 126 HA ARG 18 HA ARG 18 0.304 6.606 2.540 127 1HB ARG 18 2HB ARG 18 1.065 7.526 4.663 128 2HB ARG 18 1HB ARG 18 0.079 8.724 3.862 129 1HG ARG 18 2HG ARG 18 -1.699 8.514 5.394 130 2HG ARG 18 1HG ARG 18 -1.228 6.902 5.907 131 1HD ARG 18 2HD ARG 18 0.520 9.315 6.468 132 2HD ARG 18 1HD ARG 18 -0.737 8.760 7.573 133 HE ARG 18 HE ARG 18 1.252 6.755 6.667 134 1HH1 ARG 18 1HH1 ARG 18 0.528 6.613 10.328 135 2HH1 ARG 18 2HH1 ARG 18 -0.482 6.230 8.973 136 1HH2 ARG 18 1HH2 ARG 18 2.799 8.428 8.369 137 2HH2 ARG 18 2HH2 ARG 18 2.437 7.892 9.976 138 H LYS 19 H LYS 19 -1.965 4.813 2.707 139 HA LYS 19 HA LYS 19 -0.883 2.831 4.624 140 1HB LYS 19 2HB LYS 19 -3.659 3.912 4.296 141 2HB LYS 19 1HB LYS 19 -3.485 2.219 4.666 142 1HG LYS 19 2HG LYS 19 -2.082 2.833 6.671 143 2HG LYS 19 1HG LYS 19 -2.313 4.529 6.291 144 1HD LYS 19 2HD LYS 19 -4.669 2.645 6.731 145 2HD LYS 19 1HD LYS 19 -3.894 3.481 8.061 146 1HE LYS 19 2HE LYS 19 -4.341 5.677 6.900 147 2HE LYS 19 1HE LYS 19 -5.227 4.802 5.658 148 1HZ LYS 19 2HZ LYS 19 -6.621 3.891 7.486 149 2HZ LYS 19 1HZ LYS 19 -5.870 4.996 8.534 150 3HZ LYS 19 3HZ LYS 19 -6.782 5.560 7.216 151 H CYS 20 H CYS 20 -0.381 0.992 3.624 152 HA CYS 20 HA CYS 20 -1.711 0.277 1.078 153 1HB CYS 20 2HB CYS 20 1.171 0.061 2.000 154 2HB CYS 20 1HB CYS 20 0.556 -0.838 0.648 155 H ASN 21 H ASN 21 -2.813 -1.576 1.301 156 HA ASN 21 HA ASN 21 -2.594 -3.148 3.747 157 1HB ASN 21 2HB ASN 21 -4.585 -4.281 2.953 158 2HB ASN 21 1HB ASN 21 -4.764 -2.572 2.599 159 1HD2 ASN 21 2HD2 ASN 21 -4.356 -3.031 -0.927 160 2HD2 ASN 21 1HD2 ASN 21 -4.046 -1.910 0.309 161 H ARG 22 H ARG 22 -3.076 -5.570 3.279 162 HA ARG 22 HA ARG 22 -0.673 -6.854 2.864 163 1HB ARG 22 2HB ARG 22 -1.962 -8.914 3.107 164 2HB ARG 22 1HB ARG 22 -2.565 -7.692 4.200 165 1HG ARG 22 2HG ARG 22 -4.093 -7.316 1.823 166 2HG ARG 22 1HG ARG 22 -3.940 -9.054 1.978 167 1HD ARG 22 2HD ARG 22 -4.925 -7.199 4.186 168 2HD ARG 22 1HD ARG 22 -5.958 -8.176 3.145 169 HE ARG 22 HE ARG 22 -4.007 -9.876 4.355 170 1HH1 ARG 22 2HH1 ARG 22 -6.830 -10.595 4.289 171 2HH1 ARG 22 1HH1 ARG 22 -7.338 -10.424 5.936 172 1HH2 ARG 22 1HH2 ARG 22 -4.555 -8.476 6.797 173 2HH2 ARG 22 2HH2 ARG 22 -6.015 -9.192 7.394 174 H PHE 23 H PHE 23 -3.012 -6.129 0.400 175 HA PHE 23 HA PHE 23 -1.869 -8.069 -1.488 176 1HB PHE 23 2HB PHE 23 -4.024 -5.933 -1.840 177 2HB PHE 23 1HB PHE 23 -3.676 -7.245 -2.943 178 HD1 PHE 23 HD1 PHE 23 -3.405 -9.621 -1.296 179 HD2 PHE 23 HD2 PHE 23 -6.097 -6.350 -0.791 180 HE1 PHE 23 HE1 PHE 23 -4.936 -11.065 -0.048 181 HE2 PHE 23 HE2 PHE 23 -7.618 -7.803 0.458 182 HZ PHE 23 HZ PHE 23 -7.046 -10.164 0.833 183 H ASN 24 H ASN 24 -0.459 -5.710 -0.277 184 HA ASN 24 HA ASN 24 1.010 -4.018 -0.847 185 1HB ASN 24 2HB ASN 24 1.286 -5.730 -3.378 186 2HB ASN 24 1HB ASN 24 2.493 -4.614 -2.749 187 1HD2 ASN 24 2HD2 ASN 24 3.555 -6.788 -0.140 188 2HD2 ASN 24 1HD2 ASN 24 3.537 -5.178 -0.680 189 H LYS 25 H LYS 25 -1.610 -3.514 -1.355 190 HA LYS 25 HA LYS 25 -1.539 -1.643 -3.668 191 1HB LYS 25 2HB LYS 25 -3.601 -3.603 -2.676 192 2HB LYS 25 1HB LYS 25 -4.178 -2.099 -3.353 193 1HG LYS 25 2HG LYS 25 -2.986 -2.537 -5.458 194 2HG LYS 25 1HG LYS 25 -2.177 -3.925 -4.757 195 1HD LYS 25 2HD LYS 25 -4.268 -5.150 -4.566 196 2HD LYS 25 1HD LYS 25 -5.203 -3.743 -5.045 197 1HE LYS 25 2HE LYS 25 -4.053 -3.769 -7.275 198 2HE LYS 25 1HE LYS 25 -3.180 -5.217 -6.789 199 1HZ LYS 25 2HZ LYS 25 -6.125 -4.962 -6.954 200 2HZ LYS 25 1HZ LYS 25 -5.129 -5.737 -8.091 201 3HZ LYS 25 3HZ LYS 25 -5.267 -6.361 -6.518 202 H CYS 26 H CYS 26 -3.162 0.200 -3.244 203 HA CYS 26 HA CYS 26 -2.499 1.320 -0.641 204 1HB CYS 26 2HB CYS 26 -3.992 2.291 -3.054 205 2HB CYS 26 1HB CYS 26 -3.922 3.240 -1.597 206 H VAL 27 H VAL 27 -4.253 2.606 0.429 207 HA VAL 27 HA VAL 27 -6.673 0.912 0.903 208 HB VAL 27 HB VAL 27 -4.943 2.494 2.860 209 1HG1 VAL 27 3HG1 VAL 27 -7.616 1.101 3.287 210 2HG1 VAL 27 2HG1 VAL 27 -6.511 1.430 4.612 211 3HG1 VAL 27 1HG1 VAL 27 -7.188 2.758 3.690 212 1HG2 VAL 27 2HG2 VAL 27 -4.079 0.229 2.139 213 2HG2 VAL 27 1HG2 VAL 27 -4.493 0.261 3.843 214 3HG2 VAL 27 3HG2 VAL 27 -5.584 -0.488 2.689 No H/Q in entry = 214 Start of MODEL 11 1 1H CYS 1 2H CYS 1 -1.032 12.749 -5.259 2 2H CYS 1 1H CYS 1 0.105 13.190 -4.076 3 3H CYS 1 3H CYS 1 0.458 11.940 -5.172 4 HA CYS 1 HA CYS 1 -0.110 11.005 -3.046 5 1HB CYS 1 2HB CYS 1 -1.857 11.818 -1.808 6 2HB CYS 1 1HB CYS 1 -1.782 13.182 -2.863 7 H ARG 2 H ARG 2 -0.352 8.930 -3.628 8 HA ARG 2 HA ARG 2 -1.577 8.198 -6.168 9 1HB ARG 2 2HB ARG 2 0.504 7.167 -5.345 10 2HB ARG 2 1HB ARG 2 -0.327 6.494 -3.968 11 1HG ARG 2 2HG ARG 2 -1.835 5.242 -5.642 12 2HG ARG 2 1HG ARG 2 -0.727 5.778 -6.894 13 1HD ARG 2 2HD ARG 2 0.064 4.172 -4.420 14 2HD ARG 2 1HD ARG 2 -0.099 3.494 -6.025 15 HE ARG 2 HE ARG 2 1.982 5.473 -5.226 16 1HH1 ARG 2 2HH1 ARG 2 1.787 5.873 -7.980 17 2HH1 ARG 2 1HH1 ARG 2 2.698 4.596 -8.713 18 1HH2 ARG 2 1HH2 ARG 2 2.643 2.626 -5.814 19 2HH2 ARG 2 2HH2 ARG 2 3.195 2.706 -7.454 20 H ILE 3 H ILE 3 -3.471 7.214 -6.533 21 HA ILE 3 HA ILE 3 -5.608 7.457 -4.736 22 HB ILE 3 HB ILE 3 -6.885 6.249 -6.465 23 1HG1 ILE 3 2HG1 ILE 3 -4.138 5.464 -7.550 24 2HG1 ILE 3 1HG1 ILE 3 -5.385 4.394 -6.938 25 1HG2 ILE 3 2HG2 ILE 3 -5.967 8.653 -6.793 26 2HG2 ILE 3 1HG2 ILE 3 -4.806 7.937 -7.896 27 3HG2 ILE 3 3HG2 ILE 3 -6.526 7.820 -8.230 28 1HD1 ILE 3 2HD1 ILE 3 -6.907 5.276 -8.808 29 2HD1 ILE 3 1HD1 ILE 3 -5.451 5.965 -9.515 30 3HD1 ILE 3 3HD1 ILE 3 -5.582 4.231 -9.288 31 HA HYP 4 HA HYP 4 -5.790 3.731 -2.262 32 1HB HYP 4 1HB HYP 4 -7.908 3.586 -1.444 33 2HB HYP 4 2HB HYP 4 -8.608 3.316 -3.028 34 1HD HYP 4 1HD1 HYP 4 -6.965 7.024 -3.157 35 2HD HYP 4 2HD1 HYP 4 -7.850 6.296 -4.507 36 HOD HYP 4 HD2 HYP 4 -8.274 6.881 -1.304 37 HG HYP 4 HG HYP 4 -9.366 5.562 -2.802 38 H ASN 5 H ASN 5 -6.287 1.488 -2.362 39 HA ASN 5 HA ASN 5 -5.843 -0.592 -3.246 40 1HB ASN 5 2HB ASN 5 -7.538 -1.367 -4.759 41 2HB ASN 5 1HB ASN 5 -8.286 -0.121 -3.784 42 1HD2 ASN 5 2HD2 ASN 5 -7.719 0.522 -7.790 43 2HD2 ASN 5 1HD2 ASN 5 -6.871 -0.726 -7.011 44 H GLN 6 H GLN 6 -4.347 1.814 -4.641 45 HA GLN 6 HA GLN 6 -3.595 0.552 -7.180 46 1HB GLN 6 2HB GLN 6 -3.797 3.129 -6.480 47 2HB GLN 6 1HB GLN 6 -2.133 2.917 -6.013 48 1HG GLN 6 2HG GLN 6 -2.837 1.815 -8.727 49 2HG GLN 6 1HG GLN 6 -2.994 3.552 -8.572 50 1HE2 GLN 6 2HE2 GLN 6 0.447 4.089 -8.788 51 2HE2 GLN 6 1HE2 GLN 6 -1.124 4.722 -8.874 52 H LYS 7 H LYS 7 -1.695 -0.368 -7.620 53 HA LYS 7 HA LYS 7 -0.382 -1.917 -5.738 54 1HB LYS 7 2HB LYS 7 0.078 -1.119 -8.552 55 2HB LYS 7 1HB LYS 7 1.542 -1.622 -7.740 56 1HG LYS 7 2HG LYS 7 -1.001 -3.273 -7.555 57 2HG LYS 7 1HG LYS 7 0.096 -3.444 -8.909 58 1HD LYS 7 2HD LYS 7 1.822 -4.345 -7.620 59 2HD LYS 7 1HD LYS 7 1.305 -3.559 -6.142 60 1HE LYS 7 2HE LYS 7 -0.345 -5.756 -7.450 61 2HE LYS 7 1HE LYS 7 0.912 -6.093 -6.268 62 1HZ LYS 7 2HZ LYS 7 -1.096 -4.075 -5.610 63 2HZ LYS 7 1HZ LYS 7 -1.543 -5.713 -5.547 64 3HZ LYS 7 3HZ LYS 7 -0.254 -5.145 -4.599 65 H CYS 8 H CYS 8 0.526 -1.201 -3.986 66 HA CYS 8 HA CYS 8 2.914 0.553 -4.151 67 1HB CYS 8 2HB CYS 8 2.151 1.835 -2.230 68 2HB CYS 8 1HB CYS 8 1.024 1.967 -3.545 69 H PHE 9 H PHE 9 3.497 0.601 -1.434 70 HA PHE 9 HA PHE 9 3.601 -2.270 -0.628 71 1HB PHE 9 2HB PHE 9 6.014 -0.419 -0.618 72 2HB PHE 9 1HB PHE 9 6.002 -2.113 -0.167 73 HD1 PHE 9 HD2 PHE 9 5.698 0.243 -3.012 74 HD2 PHE 9 HD1 PHE 9 5.952 -3.852 -1.864 75 HE1 PHE 9 HE2 PHE 9 6.095 -0.388 -5.345 76 HE2 PHE 9 HE1 PHE 9 6.346 -4.481 -4.201 77 HZ PHE 9 HZ PHE 9 6.420 -2.750 -5.947 78 H GLN 10 H GLN 10 3.924 -2.716 1.468 79 HA GLN 10 HA GLN 10 2.665 -1.114 3.373 80 1HB GLN 10 2HB GLN 10 4.530 -3.504 3.624 81 2HB GLN 10 1HB GLN 10 3.748 -2.791 5.019 82 1HG GLN 10 2HG GLN 10 2.248 -4.520 4.415 83 2HG GLN 10 1HG GLN 10 1.512 -3.109 3.683 84 1HE2 GLN 10 2HE2 GLN 10 2.013 -4.246 0.367 85 2HE2 GLN 10 1HE2 GLN 10 1.533 -2.947 1.350 86 H HIS 11 H HIS 11 5.856 -1.141 2.226 87 HA HIS 11 HA HIS 11 6.958 0.450 4.463 88 1HB HIS 11 2HB HIS 11 8.135 -1.604 3.301 89 2HB HIS 11 1HB HIS 11 8.501 -0.472 2.009 90 HD1 HIS 11 HD1 HIS 11 10.022 1.570 2.767 91 HD2 HIS 11 HD2 HIS 11 9.566 -1.298 5.626 92 HE1 HIS 11 HE1 HIS 11 11.758 2.013 4.466 93 H LEU 12 H LEU 12 6.681 0.490 0.958 94 HA LEU 12 HA LEU 12 7.201 3.411 0.854 95 1HB LEU 12 2HB LEU 12 6.824 1.371 -1.391 96 2HB LEU 12 1HB LEU 12 7.259 3.047 -1.621 97 HG LEU 12 HG LEU 12 8.957 1.182 0.097 98 1HD1 LEU 12 2HD1 LEU 12 9.249 1.786 -2.880 99 2HD1 LEU 12 1HD1 LEU 12 10.419 0.915 -1.901 100 3HD1 LEU 12 3HD1 LEU 12 8.832 0.226 -2.186 101 1HD2 LEU 12 2HD2 LEU 12 9.455 3.866 -1.270 102 2HD2 LEU 12 1HD2 LEU 12 9.407 3.560 0.459 103 3HD2 LEU 12 3HD2 LEU 12 10.717 2.913 -0.508 104 H ASP 13 H ASP 13 5.169 3.453 2.122 105 HA ASP 13 HA ASP 13 2.632 3.133 0.711 106 1HB ASP 13 2HB ASP 13 3.132 4.679 3.302 107 2HB ASP 13 1HB ASP 13 1.627 3.963 2.746 108 H ASP 14 H ASP 14 3.073 4.324 -1.091 109 HA ASP 14 HA ASP 14 3.493 7.238 -0.970 110 1HB ASP 14 2HB ASP 14 3.270 6.795 -3.598 111 2HB ASP 14 1HB ASP 14 4.729 6.340 -2.744 112 H CYS 15 H CYS 15 0.927 5.387 -0.458 113 HA CYS 15 HA CYS 15 -1.116 6.395 -2.171 114 1HB CYS 15 2HB CYS 15 -1.510 5.397 0.631 115 2HB CYS 15 1HB CYS 15 -2.596 5.286 -0.723 116 H CYS 16 H CYS 16 -2.898 7.645 -1.552 117 HA CYS 16 HA CYS 16 -2.197 10.233 -0.513 118 1HB CYS 16 2HB CYS 16 -4.134 9.320 -2.183 119 2HB CYS 16 1HB CYS 16 -5.066 9.317 -0.714 120 H SER 17 H SER 17 -3.762 7.365 0.642 121 HA SER 17 HA SER 17 -4.436 8.393 3.286 122 1HB SER 17 2HB SER 17 -5.245 6.042 3.598 123 2HB SER 17 1HB SER 17 -5.836 6.661 2.053 124 HG SER 17 HG SER 17 -4.253 5.580 1.008 125 H ARG 18 H ARG 18 -1.799 7.065 1.678 126 HA ARG 18 HA ARG 18 0.326 6.396 2.260 127 1HB ARG 18 2HB ARG 18 -0.278 8.540 3.902 128 2HB ARG 18 1HB ARG 18 0.087 7.329 5.116 129 1HG ARG 18 2HG ARG 18 2.275 6.877 3.926 130 2HG ARG 18 1HG ARG 18 1.881 8.158 2.792 131 1HD ARG 18 2HD ARG 18 3.278 9.213 4.425 132 2HD ARG 18 1HD ARG 18 1.651 9.706 4.873 133 HE ARG 18 HE ARG 18 1.696 8.012 6.662 134 1HH1 ARG 18 1HH2 ARG 18 3.939 6.420 5.310 135 2HH1 ARG 18 2HH2 ARG 18 5.260 6.741 6.384 136 1HH2 ARG 18 2HH1 ARG 18 3.635 9.439 7.912 137 2HH2 ARG 18 1HH1 ARG 18 5.085 8.491 7.892 138 H LYS 19 H LYS 19 -1.946 4.669 2.643 139 HA LYS 19 HA LYS 19 -0.816 2.720 4.574 140 1HB LYS 19 2HB LYS 19 -3.612 3.768 4.222 141 2HB LYS 19 1HB LYS 19 -3.400 2.104 4.676 142 1HG LYS 19 2HG LYS 19 -1.702 3.934 6.289 143 2HG LYS 19 1HG LYS 19 -3.399 4.351 6.387 144 1HD LYS 19 2HD LYS 19 -3.897 1.918 6.952 145 2HD LYS 19 1HD LYS 19 -2.167 1.636 7.015 146 1HE LYS 19 2HE LYS 19 -2.901 2.071 9.285 147 2HE LYS 19 1HE LYS 19 -2.028 3.505 8.763 148 1HZ LYS 19 2HZ LYS 19 -4.961 3.244 8.509 149 2HZ LYS 19 1HZ LYS 19 -4.209 3.885 9.890 150 3HZ LYS 19 3HZ LYS 19 -4.020 4.651 8.387 151 H CYS 20 H CYS 20 -0.303 0.869 3.586 152 HA CYS 20 HA CYS 20 -1.714 0.084 1.100 153 1HB CYS 20 2HB CYS 20 1.195 -0.145 1.933 154 2HB CYS 20 1HB CYS 20 0.519 -0.969 0.567 155 H ASN 21 H ASN 21 -2.835 -1.704 1.452 156 HA ASN 21 HA ASN 21 -2.620 -3.246 3.876 157 1HB ASN 21 2HB ASN 21 -4.441 -4.597 2.896 158 2HB ASN 21 1HB ASN 21 -4.747 -2.889 2.664 159 1HD2 ASN 21 2HD2 ASN 21 -5.514 -4.134 -0.601 160 2HD2 ASN 21 1HD2 ASN 21 -6.206 -3.885 0.928 161 H ARG 22 H ARG 22 -2.906 -5.784 3.403 162 HA ARG 22 HA ARG 22 -0.311 -6.759 2.977 163 1HB ARG 22 2HB ARG 22 -1.314 -8.947 3.413 164 2HB ARG 22 1HB ARG 22 -1.947 -7.758 4.527 165 1HG ARG 22 2HG ARG 22 -3.977 -7.506 3.016 166 2HG ARG 22 1HG ARG 22 -3.340 -8.800 2.017 167 1HD ARG 22 2HD ARG 22 -4.919 -9.815 3.534 168 2HD ARG 22 1HD ARG 22 -3.321 -10.274 4.108 169 HE ARG 22 HE ARG 22 -3.534 -8.393 5.780 170 1HH1 ARG 22 2HH1 ARG 22 -5.928 -7.061 4.773 171 2HH1 ARG 22 1HH1 ARG 22 -7.202 -7.728 5.739 172 1HH2 ARG 22 1HH2 ARG 22 -5.254 -10.447 6.783 173 2HH2 ARG 22 2HH2 ARG 22 -6.809 -9.697 6.909 174 H PHE 23 H PHE 23 -2.857 -6.186 0.776 175 HA PHE 23 HA PHE 23 -1.951 -8.122 -1.233 176 1HB PHE 23 2HB PHE 23 -4.134 -5.993 -1.258 177 2HB PHE 23 1HB PHE 23 -3.879 -7.196 -2.499 178 HD1 PHE 23 HD2 PHE 23 -4.074 -9.671 -1.872 179 HD2 PHE 23 HD1 PHE 23 -5.352 -6.549 0.734 180 HE1 PHE 23 HE2 PHE 23 -5.427 -11.275 -0.607 181 HE2 PHE 23 HE1 PHE 23 -6.702 -8.158 1.995 182 HZ PHE 23 HZ PHE 23 -6.744 -10.524 1.329 183 H ASN 24 H ASN 24 -0.483 -5.614 -0.191 184 HA ASN 24 HA ASN 24 0.842 -3.894 -1.002 185 1HB ASN 24 2HB ASN 24 1.063 -6.195 -2.964 186 2HB ASN 24 1HB ASN 24 1.830 -4.681 -3.430 187 1HD2 ASN 24 2HD2 ASN 24 3.167 -6.589 -0.043 188 2HD2 ASN 24 1HD2 ASN 24 1.558 -6.813 -0.537 189 H LYS 25 H LYS 25 -1.825 -3.563 -1.324 190 HA LYS 25 HA LYS 25 -2.028 -1.789 -3.707 191 1HB LYS 25 2HB LYS 25 -3.926 -3.800 -2.498 192 2HB LYS 25 1HB LYS 25 -4.615 -2.327 -3.129 193 1HG LYS 25 2HG LYS 25 -3.182 -2.863 -5.279 194 2HG LYS 25 1HG LYS 25 -3.051 -4.473 -4.598 195 1HD LYS 25 2HD LYS 25 -5.327 -4.939 -4.839 196 2HD LYS 25 1HD LYS 25 -5.808 -3.259 -4.755 197 1HE LYS 25 2HE LYS 25 -4.272 -3.296 -7.092 198 2HE LYS 25 1HE LYS 25 -5.048 -4.871 -7.113 199 1HZ LYS 25 1HZ LYS 25 -6.461 -2.296 -6.733 200 2HZ LYS 25 3HZ LYS 25 -6.350 -3.146 -8.199 201 3HZ LYS 25 2HZ LYS 25 -7.173 -3.831 -6.880 202 H CYS 26 H CYS 26 -3.136 0.223 -3.228 203 HA CYS 26 HA CYS 26 -2.595 1.163 -0.557 204 1HB CYS 26 2HB CYS 26 -3.976 2.351 -2.952 205 2HB CYS 26 1HB CYS 26 -3.852 3.205 -1.450 206 H VAL 27 H VAL 27 -4.285 2.446 0.560 207 HA VAL 27 HA VAL 27 -6.844 0.898 0.770 208 HB VAL 27 HB VAL 27 -5.250 2.237 3.014 209 1HG1 VAL 27 3HG1 VAL 27 -7.805 0.570 2.995 210 2HG1 VAL 27 2HG1 VAL 27 -6.856 0.828 4.451 211 3HG1 VAL 27 1HG1 VAL 27 -7.596 2.193 3.637 212 1HG2 VAL 27 2HG2 VAL 27 -5.585 -0.719 2.294 213 2HG2 VAL 27 1HG2 VAL 27 -4.100 0.195 2.126 214 3HG2 VAL 27 3HG2 VAL 27 -4.751 -0.122 3.720 No H/Q in entry = 214 Start of MODEL 12 1 1H CYS 1 1H CYS 1 0.652 11.306 -5.183 2 2H CYS 1 3H CYS 1 -0.528 12.522 -5.074 3 3H CYS 1 2H CYS 1 0.809 12.542 -4.027 4 HA CYS 1 HA CYS 1 0.071 10.508 -2.983 5 1HB CYS 1 2HB CYS 1 -1.314 11.724 -1.615 6 2HB CYS 1 1HB CYS 1 -0.973 13.040 -2.678 7 H ARG 2 H ARG 2 -0.487 8.620 -3.812 8 HA ARG 2 HA ARG 2 -2.221 8.321 -6.120 9 1HB ARG 2 2HB ARG 2 -0.683 6.379 -4.372 10 2HB ARG 2 1HB ARG 2 -1.771 5.797 -5.611 11 1HG ARG 2 2HG ARG 2 0.474 7.785 -6.165 12 2HG ARG 2 1HG ARG 2 0.657 6.053 -6.342 13 1HD ARG 2 2HD ARG 2 -1.527 6.258 -7.863 14 2HD ARG 2 1HD ARG 2 -1.027 7.939 -7.991 15 HE ARG 2 HE ARG 2 1.160 7.114 -8.876 16 1HH1 ARG 2 2HH1 ARG 2 1.468 4.407 -8.478 17 2HH1 ARG 2 1HH1 ARG 2 0.730 3.613 -9.830 18 1HH2 ARG 2 1HH2 ARG 2 -1.125 6.442 -10.736 19 2HH2 ARG 2 2HH2 ARG 2 -0.776 4.795 -11.141 20 H ILE 3 H ILE 3 -3.919 6.821 -6.306 21 HA ILE 3 HA ILE 3 -6.024 7.280 -4.412 22 HB ILE 3 HB ILE 3 -7.322 5.853 -6.039 23 1HG1 ILE 3 2HG1 ILE 3 -4.686 5.628 -7.571 24 2HG1 ILE 3 1HG1 ILE 3 -5.331 4.334 -6.585 25 1HG2 ILE 3 3HG2 ILE 3 -6.917 8.331 -6.401 26 2HG2 ILE 3 2HG2 ILE 3 -5.557 7.915 -7.430 27 3HG2 ILE 3 1HG2 ILE 3 -7.185 7.443 -7.888 28 1HD1 ILE 3 3HD1 ILE 3 -7.464 4.474 -7.979 29 2HD1 ILE 3 2HD1 ILE 3 -6.561 5.516 -9.075 30 3HD1 ILE 3 1HD1 ILE 3 -6.034 3.864 -8.799 31 HA HYP 4 HA HYP 4 -6.082 3.293 -2.176 32 1HB HYP 4 1HB HYP 4 -8.205 3.045 -1.361 33 2HB HYP 4 2HB HYP 4 -8.901 2.951 -2.963 34 1HD HYP 4 1HD1 HYP 4 -7.287 6.671 -2.587 35 2HD HYP 4 2HD1 HYP 4 -8.162 6.153 -4.037 36 HOD HYP 4 HD2 HYP 4 -8.630 6.320 -0.855 37 HG HYP 4 HG HYP 4 -9.698 5.138 -2.534 38 H ASN 5 H ASN 5 -6.071 1.180 -2.693 39 HA ASN 5 HA ASN 5 -5.929 -0.783 -3.870 40 1HB ASN 5 2HB ASN 5 -7.533 -1.223 -5.439 41 2HB ASN 5 1HB ASN 5 -8.168 0.332 -4.986 42 1HD2 ASN 5 2HD2 ASN 5 -6.427 1.543 -8.238 43 2HD2 ASN 5 1HD2 ASN 5 -5.893 1.752 -6.644 44 H GLN 6 H GLN 6 -4.522 2.073 -4.948 45 HA GLN 6 HA GLN 6 -3.171 1.238 -7.304 46 1HB GLN 6 2HB GLN 6 -3.305 3.617 -6.422 47 2HB GLN 6 1HB GLN 6 -2.160 3.184 -5.178 48 1HG GLN 6 2HG GLN 6 -0.877 4.192 -6.950 49 2HG GLN 6 1HG GLN 6 -0.542 2.474 -7.042 50 1HE2 GLN 6 2HE2 GLN 6 -3.026 4.117 -9.891 51 2HE2 GLN 6 1HE2 GLN 6 -2.994 4.792 -8.334 52 H LYS 7 H LYS 7 -1.665 -0.253 -7.576 53 HA LYS 7 HA LYS 7 -0.651 -1.942 -5.588 54 1HB LYS 7 2HB LYS 7 -0.636 -2.192 -8.180 55 2HB LYS 7 1HB LYS 7 0.889 -1.340 -8.151 56 1HG LYS 7 2HG LYS 7 0.536 -3.679 -6.259 57 2HG LYS 7 1HG LYS 7 0.724 -4.040 -7.957 58 1HD LYS 7 2HD LYS 7 2.694 -2.093 -6.741 59 2HD LYS 7 1HD LYS 7 2.844 -3.777 -6.297 60 1HE LYS 7 2HE LYS 7 2.598 -2.977 -9.216 61 2HE LYS 7 1HE LYS 7 4.151 -2.958 -8.395 62 1HZ LYS 7 2HZ LYS 7 2.464 -5.338 -8.165 63 2HZ LYS 7 1HZ LYS 7 3.323 -5.074 -9.606 64 3HZ LYS 7 3HZ LYS 7 4.156 -5.199 -8.130 65 H CYS 8 H CYS 8 0.310 -1.170 -3.875 66 HA CYS 8 HA CYS 8 2.903 0.255 -4.149 67 1HB CYS 8 2HB CYS 8 2.283 1.811 -2.400 68 2HB CYS 8 1HB CYS 8 1.161 1.911 -3.732 69 H PHE 9 H PHE 9 4.385 -0.244 -2.615 70 HA PHE 9 HA PHE 9 3.785 -2.636 -0.984 71 1HB PHE 9 2HB PHE 9 6.219 -1.356 -2.135 72 2HB PHE 9 1HB PHE 9 6.462 -2.042 -0.534 73 HD1 PHE 9 HD2 PHE 9 4.742 -2.932 -3.763 74 HD2 PHE 9 HD1 PHE 9 7.033 -4.311 -0.442 75 HE1 PHE 9 HE2 PHE 9 4.817 -5.179 -4.745 76 HE2 PHE 9 HE1 PHE 9 7.105 -6.556 -1.430 77 HZ PHE 9 HZ PHE 9 5.998 -6.994 -3.580 78 H GLN 10 H GLN 10 4.331 -2.773 1.178 79 HA GLN 10 HA GLN 10 3.254 -0.870 2.864 80 1HB GLN 10 2HB GLN 10 5.270 -3.091 3.348 81 2HB GLN 10 1HB GLN 10 4.630 -2.141 4.672 82 1HG GLN 10 2HG GLN 10 3.229 -4.109 4.501 83 2HG GLN 10 1HG GLN 10 2.273 -2.771 3.890 84 1HE2 GLN 10 2HE2 GLN 10 1.897 -4.218 0.710 85 2HE2 GLN 10 1HE2 GLN 10 1.437 -2.998 1.797 86 H HIS 11 H HIS 11 6.544 -1.219 1.787 87 HA HIS 11 HA HIS 11 7.572 0.950 3.491 88 1HB HIS 11 2HB HIS 11 8.826 -0.817 1.347 89 2HB HIS 11 1HB HIS 11 9.716 0.462 2.158 90 HD1 HIS 11 HD1 HIS 11 11.141 -1.604 3.088 91 HD2 HIS 11 HD2 HIS 11 7.352 -1.402 4.601 92 HE1 HIS 11 HE1 HIS 11 11.112 -3.041 5.092 93 H LEU 12 H LEU 12 6.956 0.333 0.088 94 HA LEU 12 HA LEU 12 7.511 3.156 -0.639 95 1HB LEU 12 2HB LEU 12 6.705 0.781 -2.386 96 2HB LEU 12 1HB LEU 12 7.215 2.350 -2.962 97 HG LEU 12 HG LEU 12 9.345 1.725 -1.299 98 1HD1 LEU 12 2HD1 LEU 12 8.408 -0.572 -0.880 99 2HD1 LEU 12 1HD1 LEU 12 8.482 -0.896 -2.604 100 3HD1 LEU 12 3HD1 LEU 12 9.959 -0.627 -1.693 101 1HD2 LEU 12 3HD2 LEU 12 9.504 2.537 -3.641 102 2HD2 LEU 12 2HD2 LEU 12 10.582 1.180 -3.366 103 3HD2 LEU 12 1HD2 LEU 12 9.071 0.940 -4.231 104 H ASP 13 H ASP 13 5.584 3.314 1.002 105 HA ASP 13 HA ASP 13 2.926 2.963 -0.115 106 1HB ASP 13 2HB ASP 13 3.761 3.056 2.416 107 2HB ASP 13 1HB ASP 13 3.509 4.780 2.253 108 H ASP 14 H ASP 14 2.845 4.070 -2.000 109 HA ASP 14 HA ASP 14 3.460 6.941 -2.136 110 1HB ASP 14 2HB ASP 14 2.700 6.514 -4.579 111 2HB ASP 14 1HB ASP 14 4.172 5.727 -4.055 112 H CYS 15 H CYS 15 0.876 5.198 -1.089 113 HA CYS 15 HA CYS 15 -1.357 6.424 -2.333 114 1HB CYS 15 2HB CYS 15 -1.344 5.446 0.483 115 2HB CYS 15 1HB CYS 15 -2.622 5.328 -0.702 116 H CYS 16 H CYS 16 -2.908 7.756 -1.452 117 HA CYS 16 HA CYS 16 -1.840 10.212 -0.274 118 1HB CYS 16 2HB CYS 16 -3.848 9.738 -2.050 119 2HB CYS 16 1HB CYS 16 -4.801 9.709 -0.594 120 H SER 17 H SER 17 -3.760 7.453 0.533 121 HA SER 17 HA SER 17 -4.489 8.254 3.223 122 1HB SER 17 2HB SER 17 -5.455 5.966 3.288 123 2HB SER 17 1HB SER 17 -5.852 6.683 1.721 124 HG SER 17 HG SER 17 -4.695 4.488 1.927 125 H ARG 18 H ARG 18 -1.650 7.488 1.895 126 HA ARG 18 HA ARG 18 0.362 6.543 2.516 127 1HB ARG 18 2HB ARG 18 1.149 7.345 4.706 128 2HB ARG 18 1HB ARG 18 0.238 8.594 3.893 129 1HG ARG 18 2HG ARG 18 -1.700 8.228 5.328 130 2HG ARG 18 1HG ARG 18 -0.975 6.799 6.045 131 1HD ARG 18 2HD ARG 18 -0.289 8.263 7.673 132 2HD ARG 18 1HD ARG 18 0.975 8.723 6.542 133 HE ARG 18 HE ARG 18 -1.410 10.288 7.209 134 1HH1 ARG 18 1HH2 ARG 18 -1.551 10.296 4.320 135 2HH1 ARG 18 2HH2 ARG 18 -0.467 11.562 3.849 136 1HH2 ARG 18 2HH1 ARG 18 1.148 11.608 6.960 137 2HH2 ARG 18 1HH1 ARG 18 1.104 12.325 5.383 138 H LYS 19 H LYS 19 -1.884 4.718 2.654 139 HA LYS 19 HA LYS 19 -0.762 2.691 4.497 140 1HB LYS 19 2HB LYS 19 -3.542 3.785 4.285 141 2HB LYS 19 1HB LYS 19 -3.371 2.072 4.557 142 1HG LYS 19 2HG LYS 19 -2.124 2.431 6.609 143 2HG LYS 19 1HG LYS 19 -1.899 4.135 6.247 144 1HD LYS 19 2HD LYS 19 -4.250 4.616 6.570 145 2HD LYS 19 1HD LYS 19 -4.654 2.911 6.659 146 1HE LYS 19 2HE LYS 19 -4.596 3.777 8.935 147 2HE LYS 19 1HE LYS 19 -3.183 2.751 8.734 148 1HZ LYS 19 3HZ LYS 19 -1.972 4.857 8.121 149 2HZ LYS 19 2HZ LYS 19 -3.318 5.699 8.723 150 3HZ LYS 19 1HZ LYS 19 -2.424 4.683 9.749 151 H CYS 20 H CYS 20 -0.250 0.910 3.463 152 HA CYS 20 HA CYS 20 -1.612 0.179 0.934 153 1HB CYS 20 2HB CYS 20 1.279 -0.023 1.830 154 2HB CYS 20 1HB CYS 20 0.662 -0.864 0.445 155 H ASN 21 H ASN 21 -2.864 -1.493 1.431 156 HA ASN 21 HA ASN 21 -2.685 -3.084 3.773 157 1HB ASN 21 2HB ASN 21 -4.504 -4.396 2.759 158 2HB ASN 21 1HB ASN 21 -4.761 -2.687 2.489 159 1HD2 ASN 21 2HD2 ASN 21 -5.469 -3.975 -0.768 160 2HD2 ASN 21 1HD2 ASN 21 -6.191 -3.674 0.737 161 H ARG 22 H ARG 22 -3.040 -5.567 3.367 162 HA ARG 22 HA ARG 22 -0.496 -6.694 3.075 163 1HB ARG 22 2HB ARG 22 -1.752 -8.861 3.371 164 2HB ARG 22 1HB ARG 22 -2.066 -7.658 4.594 165 1HG ARG 22 2HG ARG 22 -4.286 -7.788 4.163 166 2HG ARG 22 1HG ARG 22 -4.019 -7.175 2.547 167 1HD ARG 22 2HD ARG 22 -5.190 -9.342 2.486 168 2HD ARG 22 1HD ARG 22 -3.605 -9.487 1.725 169 HE ARG 22 HE ARG 22 -3.437 -10.148 4.523 170 1HH1 ARG 22 1HH2 ARG 22 -2.030 -11.777 2.628 171 2HH1 ARG 22 2HH2 ARG 22 -2.984 -13.218 2.495 172 1HH2 ARG 22 2HH1 ARG 22 -5.819 -11.704 3.893 173 2HH2 ARG 22 1HH1 ARG 22 -5.187 -13.175 3.231 174 H PHE 23 H PHE 23 -2.908 -6.065 0.732 175 HA PHE 23 HA PHE 23 -1.980 -8.108 -1.169 176 1HB PHE 23 2HB PHE 23 -4.069 -5.891 -1.324 177 2HB PHE 23 1HB PHE 23 -3.746 -7.022 -2.610 178 HD1 PHE 23 HD1 PHE 23 -3.738 -9.622 -1.750 179 HD2 PHE 23 HD2 PHE 23 -5.872 -6.411 0.069 180 HE1 PHE 23 HE1 PHE 23 -5.298 -11.223 -0.747 181 HE2 PHE 23 HE2 PHE 23 -7.428 -8.018 1.069 182 HZ PHE 23 HZ PHE 23 -7.146 -10.427 0.663 183 H ASN 24 H ASN 24 -0.554 -5.549 -0.076 184 HA ASN 24 HA ASN 24 0.900 -3.912 -0.835 185 1HB ASN 24 2HB ASN 24 1.166 -6.048 -3.027 186 2HB ASN 24 1HB ASN 24 2.241 -4.662 -2.904 187 1HD2 ASN 24 2HD2 ASN 24 4.117 -6.019 -0.267 188 2HD2 ASN 24 1HD2 ASN 24 3.922 -4.764 -1.392 189 H LYS 25 H LYS 25 -1.678 -3.432 -1.253 190 HA LYS 25 HA LYS 25 -1.754 -1.752 -3.697 191 1HB LYS 25 2HB LYS 25 -3.726 -3.764 -2.611 192 2HB LYS 25 1HB LYS 25 -4.367 -2.296 -3.297 193 1HG LYS 25 2HG LYS 25 -2.850 -2.814 -5.356 194 2HG LYS 25 1HG LYS 25 -2.625 -4.401 -4.644 195 1HD LYS 25 2HD LYS 25 -4.969 -4.919 -4.806 196 2HD LYS 25 1HD LYS 25 -5.398 -3.250 -5.142 197 1HE LYS 25 2HE LYS 25 -4.111 -3.382 -7.297 198 2HE LYS 25 1HE LYS 25 -3.797 -5.083 -6.972 199 1HZ LYS 25 1HZ LYS 25 -6.233 -5.391 -6.846 200 2HZ LYS 25 3HZ LYS 25 -6.424 -3.791 -7.380 201 3HZ LYS 25 2HZ LYS 25 -5.663 -4.935 -8.379 202 H CYS 26 H CYS 26 -3.048 0.205 -3.330 203 HA CYS 26 HA CYS 26 -2.596 1.256 -0.691 204 1HB CYS 26 2HB CYS 26 -4.004 2.288 -3.126 205 2HB CYS 26 1HB CYS 26 -3.947 3.201 -1.654 206 H VAL 27 H VAL 27 -4.245 2.468 0.395 207 HA VAL 27 HA VAL 27 -6.804 0.945 0.713 208 HB VAL 27 HB VAL 27 -5.129 2.322 2.873 209 1HG1 VAL 27 2HG1 VAL 27 -7.730 0.741 2.946 210 2HG1 VAL 27 1HG1 VAL 27 -6.700 0.848 4.363 211 3HG1 VAL 27 3HG1 VAL 27 -7.389 2.304 3.673 212 1HG2 VAL 27 2HG2 VAL 27 -4.042 0.239 1.956 213 2HG2 VAL 27 1HG2 VAL 27 -4.579 0.000 3.607 214 3HG2 VAL 27 3HG2 VAL 27 -5.521 -0.648 2.273 No H/Q in entry = 214 Start of MODEL 13 1 1H CYS 1 3H CYS 1 -1.355 12.877 -5.349 2 2H CYS 1 2H CYS 1 -0.246 13.418 -4.185 3 3H CYS 1 1H CYS 1 0.209 12.216 -5.296 4 HA CYS 1 HA CYS 1 -0.219 11.207 -3.182 5 1HB CYS 1 2HB CYS 1 -1.985 11.846 -1.881 6 2HB CYS 1 1HB CYS 1 -2.050 13.228 -2.916 7 H ARG 2 H ARG 2 -0.456 9.079 -3.621 8 HA ARG 2 HA ARG 2 -1.578 8.236 -6.188 9 1HB ARG 2 2HB ARG 2 0.548 7.329 -5.141 10 2HB ARG 2 1HB ARG 2 -0.419 6.543 -3.931 11 1HG ARG 2 2HG ARG 2 -0.621 4.765 -5.282 12 2HG ARG 2 1HG ARG 2 -1.635 5.720 -6.340 13 1HD ARG 2 2HD ARG 2 1.337 6.097 -6.683 14 2HD ARG 2 1HD ARG 2 0.674 4.544 -7.166 15 HE ARG 2 HE ARG 2 -0.741 6.943 -8.164 16 1HH1 ARG 2 1HH2 ARG 2 -1.397 4.730 -9.690 17 2HH1 ARG 2 2HH2 ARG 2 -0.219 4.633 -10.956 18 1HH2 ARG 2 2HH1 ARG 2 2.049 6.712 -9.283 19 2HH2 ARG 2 1HH1 ARG 2 1.781 5.784 -10.722 20 H ILE 3 H ILE 3 -3.569 7.424 -6.517 21 HA ILE 3 HA ILE 3 -5.603 7.583 -4.611 22 HB ILE 3 HB ILE 3 -6.939 6.334 -6.335 23 1HG1 ILE 3 2HG1 ILE 3 -4.254 6.070 -7.781 24 2HG1 ILE 3 1HG1 ILE 3 -5.137 4.750 -7.040 25 1HG2 ILE 3 2HG2 ILE 3 -5.902 8.891 -6.483 26 2HG2 ILE 3 1HG2 ILE 3 -5.352 8.223 -8.008 27 3HG2 ILE 3 3HG2 ILE 3 -7.064 8.235 -7.620 28 1HD1 ILE 3 1HD1 ILE 3 -7.078 5.233 -8.548 29 2HD1 ILE 3 3HD1 ILE 3 -6.092 6.433 -9.373 30 3HD1 ILE 3 2HD1 ILE 3 -5.626 4.741 -9.405 31 HA HYP 4 HA HYP 4 -5.805 3.737 -2.277 32 1HB HYP 4 1HB HYP 4 -7.939 3.568 -1.453 33 2HB HYP 4 2HB HYP 4 -8.667 3.620 -3.046 34 1HD HYP 4 1HD1 HYP 4 -6.700 7.127 -2.799 35 2HD HYP 4 2HD1 HYP 4 -7.744 6.644 -4.146 36 HOD HYP 4 HD2 HYP 4 -7.816 6.871 -0.878 37 HG HYP 4 HG HYP 4 -9.208 5.858 -2.406 38 H ASN 5 H ASN 5 -6.149 1.572 -2.531 39 HA ASN 5 HA ASN 5 -6.053 -0.492 -3.511 40 1HB ASN 5 2HB ASN 5 -7.800 -1.002 -4.899 41 2HB ASN 5 1HB ASN 5 -8.316 0.629 -4.567 42 1HD2 ASN 5 2HD2 ASN 5 -8.378 -0.163 -8.263 43 2HD2 ASN 5 1HD2 ASN 5 -8.943 -1.004 -6.902 44 H GLN 6 H GLN 6 -4.639 2.177 -5.103 45 HA GLN 6 HA GLN 6 -3.492 0.856 -7.357 46 1HB GLN 6 2HB GLN 6 -3.568 3.346 -7.069 47 2HB GLN 6 1HB GLN 6 -2.411 3.228 -5.759 48 1HG GLN 6 2HG GLN 6 -1.327 3.866 -7.890 49 2HG GLN 6 1HG GLN 6 -0.702 2.325 -7.331 50 1HE2 GLN 6 2HE2 GLN 6 -2.995 2.516 -10.727 51 2HE2 GLN 6 1HE2 GLN 6 -2.991 3.815 -9.637 52 H LYS 7 H LYS 7 -1.721 -0.374 -7.569 53 HA LYS 7 HA LYS 7 -0.691 -1.805 -5.378 54 1HB LYS 7 2HB LYS 7 0.799 -2.831 -6.936 55 2HB LYS 7 1HB LYS 7 -0.678 -2.494 -7.795 56 1HG LYS 7 2HG LYS 7 0.701 -1.626 -9.382 57 2HG LYS 7 1HG LYS 7 0.689 -0.194 -8.379 58 1HD LYS 7 2HD LYS 7 2.723 -1.303 -7.129 59 2HD LYS 7 1HD LYS 7 2.753 -2.434 -8.460 60 1HE LYS 7 2HE LYS 7 4.309 -0.668 -9.031 61 2HE LYS 7 1HE LYS 7 2.891 -0.397 -10.035 62 1HZ LYS 7 1HZ LYS 7 3.418 0.942 -7.444 63 2HZ LYS 7 3HZ LYS 7 3.697 1.624 -8.974 64 3HZ LYS 7 2HZ LYS 7 2.115 1.244 -8.487 65 H CYS 8 H CYS 8 0.536 -1.255 -3.860 66 HA CYS 8 HA CYS 8 2.909 0.488 -4.182 67 1HB CYS 8 2HB CYS 8 2.253 1.718 -2.105 68 2HB CYS 8 1HB CYS 8 1.169 1.986 -3.431 69 H PHE 9 H PHE 9 3.493 0.478 -1.377 70 HA PHE 9 HA PHE 9 3.555 -2.371 -0.607 71 1HB PHE 9 2HB PHE 9 5.823 -1.002 -1.847 72 2HB PHE 9 1HB PHE 9 6.248 -1.419 -0.199 73 HD1 PHE 9 HD1 PHE 9 5.100 -2.791 -3.441 74 HD2 PHE 9 HD2 PHE 9 6.484 -3.742 0.478 75 HE1 PHE 9 HE1 PHE 9 5.405 -5.127 -4.115 76 HE2 PHE 9 HE2 PHE 9 6.790 -6.079 -0.202 77 HZ PHE 9 HZ PHE 9 6.251 -6.777 -2.499 78 H GLN 10 H GLN 10 4.105 -2.768 1.486 79 HA GLN 10 HA GLN 10 3.082 -1.030 3.405 80 1HB GLN 10 2HB GLN 10 4.551 -2.607 5.020 81 2HB GLN 10 1HB GLN 10 3.149 -3.247 4.211 82 1HG GLN 10 2HG GLN 10 5.833 -3.404 2.795 83 2HG GLN 10 1HG GLN 10 5.512 -4.514 4.111 84 1HE2 GLN 10 2HE2 GLN 10 2.547 -5.098 1.436 85 2HE2 GLN 10 1HE2 GLN 10 2.613 -3.699 2.393 86 H HIS 11 H HIS 11 6.235 -1.376 2.123 87 HA HIS 11 HA HIS 11 7.571 0.344 4.098 88 1HB HIS 11 2HB HIS 11 8.433 -1.117 1.569 89 2HB HIS 11 1HB HIS 11 9.485 0.081 2.304 90 HD1 HIS 11 HD1 HIS 11 11.177 -1.372 3.396 91 HD2 HIS 11 HD2 HIS 11 7.426 -2.703 4.299 92 HE1 HIS 11 HE1 HIS 11 11.460 -3.169 5.061 93 H LEU 12 H LEU 12 7.019 0.400 0.632 94 HA LEU 12 HA LEU 12 7.252 3.365 0.572 95 1HB LEU 12 2HB LEU 12 7.330 1.219 -1.587 96 2HB LEU 12 1HB LEU 12 7.296 2.928 -1.975 97 HG LEU 12 HG LEU 12 9.406 1.753 -0.106 98 1HD1 LEU 12 3HD1 LEU 12 9.596 2.169 -3.124 99 2HD1 LEU 12 2HD1 LEU 12 10.926 1.711 -2.073 100 3HD1 LEU 12 1HD1 LEU 12 9.579 0.614 -2.307 101 1HD2 LEU 12 3HD2 LEU 12 9.207 4.345 -1.715 102 2HD2 LEU 12 2HD2 LEU 12 9.188 4.197 0.036 103 3HD2 LEU 12 1HD2 LEU 12 10.651 3.835 -0.855 104 H ASP 13 H ASP 13 5.193 3.176 1.780 105 HA ASP 13 HA ASP 13 2.775 2.725 0.149 106 1HB ASP 13 2HB ASP 13 1.643 3.527 2.372 107 2HB ASP 13 1HB ASP 13 2.501 2.006 2.434 108 H ASP 14 H ASP 14 3.091 4.229 -1.398 109 HA ASP 14 HA ASP 14 3.385 7.083 -0.799 110 1HB ASP 14 2HB ASP 14 3.423 7.180 -3.354 111 2HB ASP 14 1HB ASP 14 4.695 6.222 -2.627 112 H CYS 15 H CYS 15 0.837 5.242 -0.482 113 HA CYS 15 HA CYS 15 -1.195 6.315 -2.151 114 1HB CYS 15 2HB CYS 15 -1.626 5.338 0.646 115 2HB CYS 15 1HB CYS 15 -2.688 5.208 -0.732 116 H CYS 16 H CYS 16 -2.939 7.627 -1.554 117 HA CYS 16 HA CYS 16 -2.217 10.206 -0.580 118 1HB CYS 16 2HB CYS 16 -4.244 9.243 -2.100 119 2HB CYS 16 1HB CYS 16 -5.087 9.279 -0.579 120 H SER 17 H SER 17 -3.709 7.389 0.778 121 HA SER 17 HA SER 17 -4.144 8.531 3.444 122 1HB SER 17 2HB SER 17 -5.163 6.283 3.849 123 2HB SER 17 1HB SER 17 -5.827 6.961 2.356 124 HG SER 17 HG SER 17 -4.118 5.852 1.255 125 H ARG 18 H ARG 18 -1.734 7.057 1.684 126 HA ARG 18 HA ARG 18 0.346 6.146 2.097 127 1HB ARG 18 2HB ARG 18 -0.159 7.649 4.721 128 2HB ARG 18 1HB ARG 18 1.322 6.772 4.453 129 1HG ARG 18 2HG ARG 18 1.963 8.870 3.703 130 2HG ARG 18 1HG ARG 18 1.489 8.111 2.201 131 1HD ARG 18 2HD ARG 18 0.414 10.238 2.133 132 2HD ARG 18 1HD ARG 18 -0.872 9.164 2.645 133 HE ARG 18 HE ARG 18 0.453 11.202 4.293 134 1HH1 ARG 18 1HH2 ARG 18 0.509 9.953 6.508 135 2HH1 ARG 18 2HH2 ARG 18 -1.083 9.525 7.036 136 1HH2 ARG 18 2HH1 ARG 18 -2.488 10.001 3.869 137 2HH2 ARG 18 1HH1 ARG 18 -2.819 9.553 5.507 138 H LYS 19 H LYS 19 -2.108 4.683 2.681 139 HA LYS 19 HA LYS 19 -1.099 2.645 4.599 140 1HB LYS 19 2HB LYS 19 -3.859 3.671 3.918 141 2HB LYS 19 1HB LYS 19 -3.625 2.095 4.634 142 1HG LYS 19 2HG LYS 19 -2.853 2.979 6.674 143 2HG LYS 19 1HG LYS 19 -2.252 4.451 5.935 144 1HD LYS 19 2HD LYS 19 -4.418 5.418 5.766 145 2HD LYS 19 1HD LYS 19 -5.232 3.882 5.995 146 1HE LYS 19 2HE LYS 19 -3.473 5.064 8.173 147 2HE LYS 19 1HE LYS 19 -5.167 5.498 8.020 148 1HZ LYS 19 3HZ LYS 19 -5.692 3.104 8.100 149 2HZ LYS 19 2HZ LYS 19 -4.057 2.788 8.433 150 3HZ LYS 19 1HZ LYS 19 -4.985 3.701 9.524 151 H CYS 20 H CYS 20 -0.486 0.853 3.631 152 HA CYS 20 HA CYS 20 -1.740 0.024 1.078 153 1HB CYS 20 2HB CYS 20 1.129 -0.045 2.048 154 2HB CYS 20 1HB CYS 20 0.581 -0.964 0.682 155 H ASN 21 H ASN 21 -2.900 -1.713 1.467 156 HA ASN 21 HA ASN 21 -2.787 -3.273 3.853 157 1HB ASN 21 2HB ASN 21 -4.512 -4.655 2.745 158 2HB ASN 21 1HB ASN 21 -4.821 -2.954 2.475 159 1HD2 ASN 21 2HD2 ASN 21 -5.299 -4.195 -0.841 160 2HD2 ASN 21 1HD2 ASN 21 -6.121 -3.900 0.614 161 H ARG 22 H ARG 22 -3.009 -5.813 3.368 162 HA ARG 22 HA ARG 22 -0.366 -6.746 3.131 163 1HB ARG 22 2HB ARG 22 -1.375 -8.949 3.565 164 2HB ARG 22 1HB ARG 22 -2.036 -7.737 4.636 165 1HG ARG 22 2HG ARG 22 -4.038 -7.519 3.125 166 2HG ARG 22 1HG ARG 22 -3.367 -8.774 2.098 167 1HD ARG 22 2HD ARG 22 -4.985 -9.814 3.599 168 2HD ARG 22 1HD ARG 22 -3.376 -10.342 4.083 169 HE ARG 22 HE ARG 22 -4.180 -7.959 5.521 170 1HH1 ARG 22 1HH2 ARG 22 -2.701 -10.327 6.631 171 2HH1 ARG 22 2HH2 ARG 22 -3.877 -11.020 7.696 172 1HH2 ARG 22 2HH1 ARG 22 -6.533 -9.252 6.261 173 2HH2 ARG 22 1HH1 ARG 22 -6.093 -10.399 7.482 174 H PHE 23 H PHE 23 -2.814 -6.268 0.798 175 HA PHE 23 HA PHE 23 -1.775 -8.225 -1.129 176 1HB PHE 23 2HB PHE 23 -3.984 -6.130 -1.333 177 2HB PHE 23 1HB PHE 23 -3.664 -7.402 -2.491 178 HD1 PHE 23 HD2 PHE 23 -3.833 -9.842 -1.708 179 HD2 PHE 23 HD1 PHE 23 -5.300 -6.580 0.613 180 HE1 PHE 23 HE2 PHE 23 -5.216 -11.388 -0.401 181 HE2 PHE 23 HE1 PHE 23 -6.680 -8.131 1.914 182 HZ PHE 23 HZ PHE 23 -6.642 -10.538 1.412 183 H ASN 24 H ASN 24 -0.414 -5.681 -0.059 184 HA ASN 24 HA ASN 24 0.943 -3.962 -0.820 185 1HB ASN 24 2HB ASN 24 1.202 -6.082 -3.018 186 2HB ASN 24 1HB ASN 24 2.216 -4.645 -2.989 187 1HD2 ASN 24 2HD2 ASN 24 3.980 -5.612 -0.031 188 2HD2 ASN 24 1HD2 ASN 24 3.425 -4.255 -0.885 189 H LYS 25 H LYS 25 -1.708 -3.615 -1.228 190 HA LYS 25 HA LYS 25 -1.862 -1.888 -3.647 191 1HB LYS 25 2HB LYS 25 -3.782 -3.889 -2.457 192 2HB LYS 25 1HB LYS 25 -4.452 -2.436 -3.161 193 1HG LYS 25 2HG LYS 25 -3.321 -2.937 -5.317 194 2HG LYS 25 1HG LYS 25 -2.525 -4.316 -4.593 195 1HD LYS 25 2HD LYS 25 -4.357 -5.300 -5.715 196 2HD LYS 25 1HD LYS 25 -4.897 -5.222 -4.053 197 1HE LYS 25 2HE LYS 25 -6.720 -4.431 -5.443 198 2HE LYS 25 1HE LYS 25 -6.074 -3.017 -4.631 199 1HZ LYS 25 1HZ LYS 25 -4.581 -3.002 -6.801 200 2HZ LYS 25 3HZ LYS 25 -5.952 -3.780 -7.435 201 3HZ LYS 25 2HZ LYS 25 -6.097 -2.243 -6.725 202 H CYS 26 H CYS 26 -3.103 0.065 -3.262 203 HA CYS 26 HA CYS 26 -2.636 1.103 -0.603 204 1HB CYS 26 2HB CYS 26 -3.894 2.199 -3.099 205 2HB CYS 26 1HB CYS 26 -3.901 3.100 -1.616 206 H VAL 27 H VAL 27 -4.288 2.384 0.416 207 HA VAL 27 HA VAL 27 -6.946 1.011 0.579 208 HB VAL 27 HB VAL 27 -5.321 2.113 2.912 209 1HG1 VAL 27 3HG1 VAL 27 -7.910 0.519 2.714 210 2HG1 VAL 27 2HG1 VAL 27 -6.972 0.564 4.200 211 3HG1 VAL 27 1HG1 VAL 27 -7.642 2.045 3.548 212 1HG2 VAL 27 1HG2 VAL 27 -5.618 -0.776 1.946 213 2HG2 VAL 27 3HG2 VAL 27 -4.134 0.155 1.969 214 3HG2 VAL 27 2HG2 VAL 27 -4.888 -0.315 3.474 No H/Q in entry = 214 Start of MODEL 14 1 1H CYS 1 2H CYS 1 -1.283 12.930 -4.983 2 2H CYS 1 1H CYS 1 -0.103 13.337 -3.829 3 3H CYS 1 3H CYS 1 0.194 12.090 -4.941 4 HA CYS 1 HA CYS 1 -0.327 11.153 -2.805 5 1HB CYS 1 2HB CYS 1 -2.032 11.990 -1.520 6 2HB CYS 1 1HB CYS 1 -1.979 13.349 -2.585 7 H ARG 2 H ARG 2 -0.484 9.121 -3.518 8 HA ARG 2 HA ARG 2 -1.752 8.430 -6.015 9 1HB ARG 2 2HB ARG 2 -0.002 7.147 -4.048 10 2HB ARG 2 1HB ARG 2 -1.221 6.016 -4.576 11 1HG ARG 2 2HG ARG 2 0.364 7.694 -6.561 12 2HG ARG 2 1HG ARG 2 0.992 6.187 -5.944 13 1HD ARG 2 2HD ARG 2 -0.109 5.305 -7.761 14 2HD ARG 2 1HD ARG 2 -1.493 5.320 -6.677 15 HE ARG 2 HE ARG 2 -2.389 7.145 -7.896 16 1HH1 ARG 2 2HH1 ARG 2 -0.327 9.065 -8.138 17 2HH1 ARG 2 1HH1 ARG 2 0.220 8.953 -9.778 18 1HH2 ARG 2 1HH2 ARG 2 -1.213 5.797 -10.261 19 2HH2 ARG 2 2HH2 ARG 2 -0.294 7.061 -11.006 20 H ILE 3 H ILE 3 -3.434 6.955 -6.407 21 HA ILE 3 HA ILE 3 -5.717 7.373 -4.712 22 HB ILE 3 HB ILE 3 -6.788 5.805 -6.444 23 1HG1 ILE 3 2HG1 ILE 3 -4.512 6.202 -8.322 24 2HG1 ILE 3 1HG1 ILE 3 -4.110 5.128 -7.010 25 1HG2 ILE 3 1HG2 ILE 3 -5.334 8.308 -7.399 26 2HG2 ILE 3 3HG2 ILE 3 -6.710 7.572 -8.204 27 3HG2 ILE 3 2HG2 ILE 3 -6.898 8.270 -6.606 28 1HD1 ILE 3 1HD1 ILE 3 -6.695 4.742 -8.513 29 2HD1 ILE 3 3HD1 ILE 3 -5.180 4.113 -9.138 30 3HD1 ILE 3 2HD1 ILE 3 -5.770 3.575 -7.575 31 HA HYP 4 HA HYP 4 -5.828 3.562 -2.268 32 1HB HYP 4 1HB HYP 4 -7.968 3.362 -1.479 33 2HB HYP 4 2HB HYP 4 -8.670 3.338 -3.086 34 1HD HYP 4 1HD1 HYP 4 -6.859 6.939 -2.914 35 2HD HYP 4 2HD1 HYP 4 -7.838 6.338 -4.264 36 HOD HYP 4 HD2 HYP 4 -7.978 5.017 -0.475 37 HG HYP 4 HG HYP 4 -9.305 5.576 -2.519 38 H ASN 5 H ASN 5 -6.126 1.364 -2.538 39 HA ASN 5 HA ASN 5 -5.950 -0.681 -3.541 40 1HB ASN 5 2HB ASN 5 -7.656 -1.220 -4.960 41 2HB ASN 5 1HB ASN 5 -8.225 0.382 -4.577 42 1HD2 ASN 5 2HD2 ASN 5 -8.390 -0.153 -8.265 43 2HD2 ASN 5 1HD2 ASN 5 -9.014 -0.963 -6.911 44 H GLN 6 H GLN 6 -4.486 1.974 -5.061 45 HA GLN 6 HA GLN 6 -3.362 0.667 -7.344 46 1HB GLN 6 2HB GLN 6 -3.466 3.189 -6.769 47 2HB GLN 6 1HB GLN 6 -2.022 2.927 -5.817 48 1HG GLN 6 2HG GLN 6 -0.916 3.316 -7.820 49 2HG GLN 6 1HG GLN 6 -1.306 1.647 -8.170 50 1HE2 GLN 6 2HE2 GLN 6 -3.150 4.609 -10.235 51 2HE2 GLN 6 1HE2 GLN 6 -2.055 4.965 -8.990 52 H LYS 7 H LYS 7 -1.800 -0.740 -7.500 53 HA LYS 7 HA LYS 7 -0.641 -2.144 -5.394 54 1HB LYS 7 2HB LYS 7 -0.742 -2.623 -7.960 55 2HB LYS 7 1HB LYS 7 0.801 -1.811 -8.044 56 1HG LYS 7 2HG LYS 7 0.295 -4.074 -6.062 57 2HG LYS 7 1HG LYS 7 0.758 -4.398 -7.719 58 1HD LYS 7 2HD LYS 7 2.779 -2.856 -7.355 59 2HD LYS 7 1HD LYS 7 2.370 -2.849 -5.647 60 1HE LYS 7 2HE LYS 7 2.910 -5.372 -7.261 61 2HE LYS 7 1HE LYS 7 4.070 -4.590 -6.194 62 1HZ LYS 7 2HZ LYS 7 1.840 -4.840 -4.666 63 2HZ LYS 7 1HZ LYS 7 1.877 -6.288 -5.551 64 3HZ LYS 7 3HZ LYS 7 3.215 -5.834 -4.608 65 H CYS 8 H CYS 8 0.424 -1.206 -3.805 66 HA CYS 8 HA CYS 8 2.886 0.367 -4.412 67 1HB CYS 8 2HB CYS 8 2.353 1.761 -2.409 68 2HB CYS 8 1HB CYS 8 1.266 1.980 -3.749 69 H PHE 9 H PHE 9 4.435 0.379 -2.740 70 HA PHE 9 HA PHE 9 4.615 -2.233 -1.381 71 1HB PHE 9 2HB PHE 9 6.485 -0.669 -2.720 72 2HB PHE 9 1HB PHE 9 6.848 -0.281 -1.050 73 HD1 PHE 9 HD1 PHE 9 6.749 -2.968 -3.556 74 HD2 PHE 9 HD2 PHE 9 7.649 -2.012 0.496 75 HE1 PHE 9 HE1 PHE 9 7.928 -5.104 -3.312 76 HE2 PHE 9 HE2 PHE 9 8.829 -4.150 0.739 77 HZ PHE 9 HZ PHE 9 8.970 -5.700 -1.167 78 H GLN 10 H GLN 10 4.654 -2.516 0.759 79 HA GLN 10 HA GLN 10 3.268 -0.847 2.481 80 1HB GLN 10 2HB GLN 10 5.322 -3.018 3.024 81 2HB GLN 10 1HB GLN 10 4.396 -2.272 4.315 82 1HG GLN 10 2HG GLN 10 2.325 -3.123 3.512 83 2HG GLN 10 1HG GLN 10 2.955 -3.432 1.900 84 1HE2 GLN 10 2HE2 GLN 10 4.009 -6.685 2.683 85 2HE2 GLN 10 1HE2 GLN 10 3.775 -5.497 1.492 86 H HIS 11 H HIS 11 6.630 -0.890 1.705 87 HA HIS 11 HA HIS 11 7.439 0.981 3.819 88 1HB HIS 11 2HB HIS 11 8.923 -0.167 1.401 89 2HB HIS 11 1HB HIS 11 9.671 0.863 2.615 90 HD1 HIS 11 HD1 HIS 11 10.572 -0.396 4.563 91 HD2 HIS 11 HD2 HIS 11 7.758 -2.652 2.650 92 HE1 HIS 11 HE1 HIS 11 10.561 -2.592 5.685 93 H LEU 12 H LEU 12 7.135 0.954 0.322 94 HA LEU 12 HA LEU 12 7.377 3.901 0.154 95 1HB LEU 12 2HB LEU 12 7.102 1.731 -1.979 96 2HB LEU 12 1HB LEU 12 7.251 3.435 -2.347 97 HG LEU 12 HG LEU 12 9.339 2.024 -0.637 98 1HD1 LEU 12 2HD1 LEU 12 9.310 2.323 -3.671 99 2HD1 LEU 12 1HD1 LEU 12 10.678 1.761 -2.725 100 3HD1 LEU 12 3HD1 LEU 12 9.207 0.808 -2.787 101 1HD2 LEU 12 2HD2 LEU 12 9.312 4.577 -2.315 102 2HD2 LEU 12 1HD2 LEU 12 9.417 4.476 -0.565 103 3HD2 LEU 12 3HD2 LEU 12 10.753 3.922 -1.556 104 H ASP 13 H ASP 13 5.290 3.483 1.594 105 HA ASP 13 HA ASP 13 2.814 3.163 0.064 106 1HB ASP 13 2HB ASP 13 1.770 3.916 2.311 107 2HB ASP 13 1HB ASP 13 2.695 2.436 2.367 108 H ASP 14 H ASP 14 3.102 4.674 -1.496 109 HA ASP 14 HA ASP 14 3.361 7.538 -0.888 110 1HB ASP 14 2HB ASP 14 3.174 7.586 -3.511 111 2HB ASP 14 1HB ASP 14 4.619 6.908 -2.790 112 H CYS 15 H CYS 15 0.879 5.442 -0.804 113 HA CYS 15 HA CYS 15 -1.231 6.536 -2.285 114 1HB CYS 15 2HB CYS 15 -1.505 5.413 0.488 115 2HB CYS 15 1HB CYS 15 -2.645 5.300 -0.826 116 H CYS 16 H CYS 16 -3.061 7.760 -1.534 117 HA CYS 16 HA CYS 16 -2.309 10.295 -0.421 118 1HB CYS 16 2HB CYS 16 -4.381 9.462 -1.960 119 2HB CYS 16 1HB CYS 16 -5.186 9.393 -0.421 120 H SER 17 H SER 17 -3.773 7.392 0.799 121 HA SER 17 HA SER 17 -4.190 8.407 3.512 122 1HB SER 17 2HB SER 17 -5.087 6.099 3.863 123 2HB SER 17 1HB SER 17 -5.793 6.775 2.390 124 HG SER 17 HG SER 17 -4.694 4.602 2.336 125 H ARG 18 H ARG 18 -1.724 7.141 1.664 126 HA ARG 18 HA ARG 18 0.406 6.314 2.047 127 1HB ARG 18 2HB ARG 18 -0.062 7.553 4.808 128 2HB ARG 18 1HB ARG 18 1.499 7.104 4.158 129 1HG ARG 18 2HG ARG 18 1.272 8.722 2.322 130 2HG ARG 18 1HG ARG 18 -0.349 9.141 2.846 131 1HD ARG 18 2HD ARG 18 2.127 9.492 4.589 132 2HD ARG 18 1HD ARG 18 1.395 10.781 3.639 133 HE ARG 18 HE ARG 18 -0.741 10.243 4.995 134 1HH1 ARG 18 1HH2 ARG 18 0.493 8.107 6.641 135 2HH1 ARG 18 2HH2 ARG 18 0.972 8.955 8.072 136 1HH2 ARG 18 2HH1 ARG 18 0.714 12.095 6.537 137 2HH2 ARG 18 1HH1 ARG 18 1.101 11.274 8.013 138 H LYS 19 H LYS 19 -1.895 4.658 2.547 139 HA LYS 19 HA LYS 19 -0.716 2.651 4.397 140 1HB LYS 19 2HB LYS 19 -3.527 3.699 4.103 141 2HB LYS 19 1HB LYS 19 -3.277 2.035 4.563 142 1HG LYS 19 2HG LYS 19 -1.782 2.878 6.459 143 2HG LYS 19 1HG LYS 19 -2.235 4.508 6.008 144 1HD LYS 19 2HD LYS 19 -4.712 3.115 6.219 145 2HD LYS 19 1HD LYS 19 -3.748 2.488 7.538 146 1HE LYS 19 2HE LYS 19 -4.920 4.415 8.388 147 2HE LYS 19 1HE LYS 19 -3.251 4.925 8.182 148 1HZ LYS 19 3HZ LYS 19 -3.887 5.840 6.004 149 2HZ LYS 19 2HZ LYS 19 -5.503 5.430 6.323 150 3HZ LYS 19 1HZ LYS 19 -4.709 6.570 7.299 151 H CYS 20 H CYS 20 -0.202 0.846 3.360 152 HA CYS 20 HA CYS 20 -1.649 0.111 0.883 153 1HB CYS 20 2HB CYS 20 1.259 -0.182 1.714 154 2HB CYS 20 1HB CYS 20 0.583 -0.952 0.315 155 H ASN 21 H ASN 21 -2.923 -1.513 1.406 156 HA ASN 21 HA ASN 21 -2.826 -3.090 3.749 157 1HB ASN 21 2HB ASN 21 -4.642 -4.384 2.693 158 2HB ASN 21 1HB ASN 21 -4.858 -2.670 2.421 159 1HD2 ASN 21 2HD2 ASN 21 -5.503 -3.917 -0.865 160 2HD2 ASN 21 1HD2 ASN 21 -6.257 -3.591 0.620 161 H ARG 22 H ARG 22 -3.263 -5.587 3.339 162 HA ARG 22 HA ARG 22 -0.748 -6.794 3.183 163 1HB ARG 22 2HB ARG 22 -1.999 -8.879 3.552 164 2HB ARG 22 1HB ARG 22 -2.607 -7.600 4.576 165 1HG ARG 22 2HG ARG 22 -4.411 -7.197 2.754 166 2HG ARG 22 1HG ARG 22 -3.879 -8.711 2.044 167 1HD ARG 22 2HD ARG 22 -4.212 -9.638 4.536 168 2HD ARG 22 1HD ARG 22 -5.260 -8.232 4.687 169 HE ARG 22 HE ARG 22 -6.658 -9.136 2.904 170 1HH1 ARG 22 1HH2 ARG 22 -4.466 -10.764 1.610 171 2HH1 ARG 22 2HH2 ARG 22 -4.942 -12.380 2.013 172 1HH2 ARG 22 2HH1 ARG 22 -7.160 -11.313 4.509 173 2HH2 ARG 22 1HH1 ARG 22 -6.511 -12.699 3.697 174 H PHE 23 H PHE 23 -3.036 -6.105 0.732 175 HA PHE 23 HA PHE 23 -2.051 -8.128 -1.155 176 1HB PHE 23 2HB PHE 23 -4.083 -5.873 -1.418 177 2HB PHE 23 1HB PHE 23 -3.756 -7.072 -2.639 178 HD1 PHE 23 HD1 PHE 23 -4.104 -9.567 -1.993 179 HD2 PHE 23 HD2 PHE 23 -5.660 -6.325 0.296 180 HE1 PHE 23 HE1 PHE 23 -5.725 -11.080 -0.945 181 HE2 PHE 23 HE2 PHE 23 -7.277 -7.841 1.338 182 HZ PHE 23 HZ PHE 23 -7.314 -10.221 0.720 183 H ASN 24 H ASN 24 -0.603 -5.628 0.012 184 HA ASN 24 HA ASN 24 0.913 -4.009 -0.684 185 1HB ASN 24 2HB ASN 24 1.168 -6.008 -3.001 186 2HB ASN 24 1HB ASN 24 2.336 -4.744 -2.639 187 1HD2 ASN 24 2HD2 ASN 24 3.838 -6.498 0.014 188 2HD2 ASN 24 1HD2 ASN 24 3.783 -5.067 -0.898 189 H LYS 25 H LYS 25 -1.697 -3.513 -1.212 190 HA LYS 25 HA LYS 25 -1.648 -1.789 -3.633 191 1HB LYS 25 2HB LYS 25 -3.680 -3.778 -2.626 192 2HB LYS 25 1HB LYS 25 -4.283 -2.308 -3.342 193 1HG LYS 25 2HG LYS 25 -2.832 -2.791 -5.376 194 2HG LYS 25 1HG LYS 25 -2.380 -4.315 -4.634 195 1HD LYS 25 2HD LYS 25 -4.619 -5.165 -4.748 196 2HD LYS 25 1HD LYS 25 -5.298 -3.580 -5.077 197 1HE LYS 25 2HE LYS 25 -4.063 -3.544 -7.273 198 2HE LYS 25 1HE LYS 25 -3.506 -5.182 -6.946 199 1HZ LYS 25 2HZ LYS 25 -6.365 -4.441 -6.961 200 2HZ LYS 25 1HZ LYS 25 -5.540 -4.959 -8.352 201 3HZ LYS 25 3HZ LYS 25 -5.683 -5.995 -7.015 202 H CYS 26 H CYS 26 -2.911 0.193 -3.323 203 HA CYS 26 HA CYS 26 -2.527 1.269 -0.698 204 1HB CYS 26 2HB CYS 26 -3.901 2.277 -3.174 205 2HB CYS 26 1HB CYS 26 -3.850 3.207 -1.712 206 H VAL 27 H VAL 27 -4.178 2.517 0.335 207 HA VAL 27 HA VAL 27 -6.785 1.072 0.616 208 HB VAL 27 HB VAL 27 -5.074 2.301 2.840 209 1HG1 VAL 27 2HG1 VAL 27 -7.753 0.854 2.854 210 2HG1 VAL 27 1HG1 VAL 27 -6.751 0.943 4.290 211 3HG1 VAL 27 3HG1 VAL 27 -7.366 2.415 3.562 212 1HG2 VAL 27 3HG2 VAL 27 -5.600 -0.614 2.094 213 2HG2 VAL 27 2HG2 VAL 27 -4.058 0.208 1.958 214 3HG2 VAL 27 1HG2 VAL 27 -4.748 -0.096 3.539 No H/Q in entry = 214 Start of MODEL 15 1 1H CYS 1 2H CYS 1 -1.209 12.743 -5.077 2 2H CYS 1 1H CYS 1 -0.096 13.239 -3.893 3 3H CYS 1 3H CYS 1 0.280 11.941 -4.923 4 HA CYS 1 HA CYS 1 -0.329 11.088 -2.777 5 1HB CYS 1 2HB CYS 1 -2.093 11.977 -1.599 6 2HB CYS 1 1HB CYS 1 -2.011 13.280 -2.730 7 H ARG 2 H ARG 2 -0.461 9.005 -3.413 8 HA ARG 2 HA ARG 2 -1.652 8.258 -5.931 9 1HB ARG 2 2HB ARG 2 0.182 7.097 -4.063 10 2HB ARG 2 1HB ARG 2 -1.108 5.931 -4.245 11 1HG ARG 2 2HG ARG 2 0.307 7.231 -6.606 12 2HG ARG 2 1HG ARG 2 0.812 5.715 -5.898 13 1HD ARG 2 2HD ARG 2 -0.598 4.838 -7.475 14 2HD ARG 2 1HD ARG 2 -1.821 5.127 -6.247 15 HE ARG 2 HE ARG 2 -2.458 7.171 -7.430 16 1HH1 ARG 2 2HH1 ARG 2 0.168 7.645 -8.783 17 2HH1 ARG 2 1HH1 ARG 2 -0.195 7.241 -10.429 18 1HH2 ARG 2 1HH2 ARG 2 -3.128 5.531 -9.560 19 2HH2 ARG 2 2HH2 ARG 2 -2.115 6.012 -10.881 20 H ILE 3 H ILE 3 -3.395 7.029 -6.407 21 HA ILE 3 HA ILE 3 -5.726 7.368 -4.843 22 HB ILE 3 HB ILE 3 -6.820 6.183 -6.667 23 1HG1 ILE 3 2HG1 ILE 3 -4.033 5.139 -7.329 24 2HG1 ILE 3 1HG1 ILE 3 -5.397 4.175 -6.793 25 1HG2 ILE 3 2HG2 ILE 3 -5.566 8.464 -7.099 26 2HG2 ILE 3 1HG2 ILE 3 -4.448 7.493 -8.039 27 3HG2 ILE 3 3HG2 ILE 3 -6.142 7.557 -8.487 28 1HD1 ILE 3 1HD1 ILE 3 -6.605 5.082 -8.929 29 2HD1 ILE 3 3HD1 ILE 3 -4.984 5.475 -9.477 30 3HD1 ILE 3 2HD1 ILE 3 -5.403 3.812 -9.106 31 HA HYP 4 HA HYP 4 -5.890 3.639 -2.300 32 1HB HYP 4 1HB HYP 4 -8.002 3.557 -1.459 33 2HB HYP 4 2HB HYP 4 -8.706 3.223 -3.031 34 1HD HYP 4 1HD1 HYP 4 -7.103 6.959 -3.268 35 2HD HYP 4 2HD1 HYP 4 -7.945 6.159 -4.608 36 HOD HYP 4 HD2 HYP 4 -8.452 6.839 -1.414 37 HG HYP 4 HG HYP 4 -9.481 5.473 -2.906 38 H ASN 5 H ASN 5 -6.136 1.421 -2.465 39 HA ASN 5 HA ASN 5 -5.852 -0.657 -3.382 40 1HB ASN 5 2HB ASN 5 -7.655 -1.348 -4.601 41 2HB ASN 5 1HB ASN 5 -8.252 0.255 -4.286 42 1HD2 ASN 5 2HD2 ASN 5 -8.608 -0.634 -7.918 43 2HD2 ASN 5 1HD2 ASN 5 -9.026 -1.432 -6.481 44 H GLN 6 H GLN 6 -4.423 1.912 -4.871 45 HA GLN 6 HA GLN 6 -3.481 0.609 -7.286 46 1HB GLN 6 2HB GLN 6 -3.463 3.224 -6.306 47 2HB GLN 6 1HB GLN 6 -1.777 2.791 -6.191 48 1HG GLN 6 2HG GLN 6 -3.202 2.084 -8.773 49 2HG GLN 6 1HG GLN 6 -2.853 3.771 -8.475 50 1HE2 GLN 6 2HE2 GLN 6 0.341 3.324 -9.769 51 2HE2 GLN 6 1HE2 GLN 6 -1.115 4.189 -9.775 52 H LYS 7 H LYS 7 -1.864 -0.728 -7.518 53 HA LYS 7 HA LYS 7 -0.655 -2.182 -5.539 54 1HB LYS 7 2HB LYS 7 -0.591 -2.214 -8.264 55 2HB LYS 7 1HB LYS 7 1.062 -1.752 -7.949 56 1HG LYS 7 2HG LYS 7 -0.305 -4.124 -6.592 57 2HG LYS 7 1HG LYS 7 0.592 -4.278 -8.080 58 1HD LYS 7 2HD LYS 7 1.891 -3.050 -5.606 59 2HD LYS 7 1HD LYS 7 1.838 -4.778 -5.839 60 1HE LYS 7 2HE LYS 7 2.874 -3.037 -8.092 61 2HE LYS 7 1HE LYS 7 3.916 -3.411 -6.728 62 1HZ LYS 7 2HZ LYS 7 2.473 -5.455 -8.305 63 2HZ LYS 7 1HZ LYS 7 4.076 -4.979 -8.600 64 3HZ LYS 7 3HZ LYS 7 3.668 -5.716 -7.125 65 H CYS 8 H CYS 8 0.225 -1.257 -3.835 66 HA CYS 8 HA CYS 8 2.856 0.096 -4.109 67 1HB CYS 8 2HB CYS 8 2.236 1.727 -2.413 68 2HB CYS 8 1HB CYS 8 1.165 1.851 -3.778 69 H PHE 9 H PHE 9 4.289 -0.575 -2.570 70 HA PHE 9 HA PHE 9 3.417 -2.821 -0.862 71 1HB PHE 9 2HB PHE 9 6.031 -1.787 -1.911 72 2HB PHE 9 1HB PHE 9 6.090 -2.671 -0.397 73 HD1 PHE 9 HD2 PHE 9 4.450 -2.937 -3.775 74 HD2 PHE 9 HD1 PHE 9 6.319 -5.000 -0.543 75 HE1 PHE 9 HE2 PHE 9 4.263 -5.049 -5.009 76 HE2 PHE 9 HE1 PHE 9 6.128 -7.106 -1.784 77 HZ PHE 9 HZ PHE 9 5.101 -7.136 -4.017 78 H GLN 10 H GLN 10 3.956 -2.992 1.293 79 HA GLN 10 HA GLN 10 3.156 -0.898 2.940 80 1HB GLN 10 2HB GLN 10 4.753 -3.424 3.544 81 2HB GLN 10 1HB GLN 10 4.161 -2.363 4.805 82 1HG GLN 10 2HG GLN 10 2.465 -4.032 4.616 83 2HG GLN 10 1HG GLN 10 1.803 -2.656 3.752 84 1HE2 GLN 10 2HE2 GLN 10 1.747 -4.331 0.644 85 2HE2 GLN 10 1HE2 GLN 10 1.461 -2.876 1.475 86 H HIS 11 H HIS 11 6.297 -1.840 1.834 87 HA HIS 11 HA HIS 11 7.870 -0.232 3.629 88 1HB HIS 11 2HB HIS 11 8.458 -2.236 1.842 89 2HB HIS 11 1HB HIS 11 8.969 -0.849 0.897 90 HD1 HIS 11 HD1 HIS 11 10.559 0.827 2.467 91 HD2 HIS 11 HD2 HIS 11 10.404 -3.104 3.557 92 HE1 HIS 11 HE1 HIS 11 12.532 0.424 3.894 93 H LEU 12 H LEU 12 6.366 0.327 0.547 94 HA LEU 12 HA LEU 12 7.134 3.217 0.672 95 1HB LEU 12 2HB LEU 12 7.091 3.161 -1.856 96 2HB LEU 12 1HB LEU 12 8.402 2.268 -1.134 97 HG LEU 12 HG LEU 12 6.065 0.498 -1.468 98 1HD1 LEU 12 3HD1 LEU 12 7.084 1.862 -3.993 99 2HD1 LEU 12 2HD1 LEU 12 6.042 0.449 -3.951 100 3HD1 LEU 12 1HD1 LEU 12 5.457 1.985 -3.346 101 1HD2 LEU 12 2HD2 LEU 12 8.917 0.530 -2.540 102 2HD2 LEU 12 1HD2 LEU 12 8.288 -0.420 -1.202 103 3HD2 LEU 12 3HD2 LEU 12 7.799 -0.787 -2.847 104 H ASP 13 H ASP 13 5.101 3.197 1.913 105 HA ASP 13 HA ASP 13 2.620 2.945 0.329 106 1HB ASP 13 2HB ASP 13 1.552 3.616 2.587 107 2HB ASP 13 1HB ASP 13 2.433 2.107 2.586 108 H ASP 14 H ASP 14 3.218 4.533 -1.155 109 HA ASP 14 HA ASP 14 3.376 7.345 -0.333 110 1HB ASP 14 2HB ASP 14 3.678 7.622 -2.861 111 2HB ASP 14 1HB ASP 14 4.904 6.665 -2.059 112 H CYS 15 H CYS 15 0.859 5.473 -0.356 113 HA CYS 15 HA CYS 15 -1.024 6.544 -2.185 114 1HB CYS 15 2HB CYS 15 -1.615 5.467 0.565 115 2HB CYS 15 1HB CYS 15 -2.648 5.432 -0.834 116 H CYS 16 H CYS 16 -3.034 7.666 -1.433 117 HA CYS 16 HA CYS 16 -2.346 10.304 -0.475 118 1HB CYS 16 2HB CYS 16 -4.352 9.353 -2.038 119 2HB CYS 16 1HB CYS 16 -5.202 9.336 -0.520 120 H SER 17 H SER 17 -3.714 7.415 0.807 121 HA SER 17 HA SER 17 -4.251 8.503 3.477 122 1HB SER 17 2HB SER 17 -5.134 6.174 3.841 123 2HB SER 17 1HB SER 17 -5.836 6.870 2.375 124 HG SER 17 HG SER 17 -4.705 4.678 2.343 125 H ARG 18 H ARG 18 -1.718 7.216 1.736 126 HA ARG 18 HA ARG 18 0.399 6.413 2.212 127 1HB ARG 18 2HB ARG 18 -0.267 7.826 4.863 128 2HB ARG 18 1HB ARG 18 1.281 7.077 4.576 129 1HG ARG 18 2HG ARG 18 1.692 9.294 3.951 130 2HG ARG 18 1HG ARG 18 1.427 8.500 2.415 131 1HD ARG 18 2HD ARG 18 0.202 10.659 2.544 132 2HD ARG 18 1HD ARG 18 -0.919 9.319 2.387 133 HE ARG 18 HE ARG 18 -1.293 9.484 4.864 134 1HH1 ARG 18 2HH1 ARG 18 1.068 11.412 5.161 135 2HH1 ARG 18 1HH1 ARG 18 0.240 12.912 5.413 136 1HH2 ARG 18 1HH2 ARG 18 -2.825 11.635 4.274 137 2HH2 ARG 18 2HH2 ARG 18 -2.027 13.041 4.897 138 H LYS 19 H LYS 19 -1.869 4.746 2.519 139 HA LYS 19 HA LYS 19 -0.810 2.713 4.408 140 1HB LYS 19 2HB LYS 19 -3.556 3.886 4.123 141 2HB LYS 19 1HB LYS 19 -3.446 2.177 4.432 142 1HG LYS 19 2HG LYS 19 -1.665 3.824 6.178 143 2HG LYS 19 1HG LYS 19 -3.360 4.210 6.351 144 1HD LYS 19 2HD LYS 19 -2.917 2.482 7.950 145 2HD LYS 19 1HD LYS 19 -3.811 1.711 6.657 146 1HE LYS 19 2HE LYS 19 -1.763 0.759 5.719 147 2HE LYS 19 1HE LYS 19 -0.764 1.690 6.830 148 1HZ LYS 19 1HZ LYS 19 -2.757 -0.337 7.654 149 2HZ LYS 19 3HZ LYS 19 -1.087 -0.617 7.515 150 3HZ LYS 19 2HZ LYS 19 -1.671 0.491 8.663 151 H CYS 20 H CYS 20 -0.342 0.886 3.422 152 HA CYS 20 HA CYS 20 -1.719 0.134 0.912 153 1HB CYS 20 2HB CYS 20 1.178 -0.086 1.769 154 2HB CYS 20 1HB CYS 20 0.523 -0.899 0.384 155 H ASN 21 H ASN 21 -2.921 -1.562 1.346 156 HA ASN 21 HA ASN 21 -2.742 -3.139 3.733 157 1HB ASN 21 2HB ASN 21 -4.477 -4.604 2.445 158 2HB ASN 21 1HB ASN 21 -4.909 -2.938 2.760 159 1HD2 ASN 21 2HD2 ASN 21 -3.592 -3.647 -1.062 160 2HD2 ASN 21 1HD2 ASN 21 -2.702 -4.217 0.261 161 H ARG 22 H ARG 22 -2.908 -5.592 3.510 162 HA ARG 22 HA ARG 22 -0.386 -6.642 3.012 163 1HB ARG 22 2HB ARG 22 -1.558 -8.858 3.359 164 2HB ARG 22 1HB ARG 22 -1.838 -7.674 4.615 165 1HG ARG 22 2HG ARG 22 -4.065 -7.253 3.926 166 2HG ARG 22 1HG ARG 22 -3.784 -7.827 2.295 167 1HD ARG 22 2HD ARG 22 -5.134 -9.463 3.568 168 2HD ARG 22 1HD ARG 22 -3.572 -10.165 3.158 169 HE ARG 22 HE ARG 22 -3.196 -9.001 5.665 170 1HH1 ARG 22 2HH1 ARG 22 -5.676 -9.453 6.734 171 2HH1 ARG 22 1HH1 ARG 22 -5.782 -11.145 7.092 172 1HH2 ARG 22 1HH2 ARG 22 -3.102 -11.954 4.980 173 2HH2 ARG 22 2HH2 ARG 22 -4.282 -12.602 6.071 174 H PHE 23 H PHE 23 -2.870 -6.036 0.750 175 HA PHE 23 HA PHE 23 -2.046 -8.110 -1.154 176 1HB PHE 23 2HB PHE 23 -4.000 -5.818 -1.598 177 2HB PHE 23 1HB PHE 23 -3.924 -7.359 -2.419 178 HD1 PHE 23 HD1 PHE 23 -4.102 -9.485 -0.755 179 HD2 PHE 23 HD2 PHE 23 -5.640 -5.595 0.062 180 HE1 PHE 23 HE1 PHE 23 -5.667 -10.441 0.873 181 HE2 PHE 23 HE2 PHE 23 -7.200 -6.555 1.690 182 HZ PHE 23 HZ PHE 23 -7.218 -8.979 2.099 183 H ASN 24 H ASN 24 -0.512 -5.622 -0.138 184 HA ASN 24 HA ASN 24 0.957 -4.025 -0.937 185 1HB ASN 24 2HB ASN 24 1.095 -6.110 -3.182 186 2HB ASN 24 1HB ASN 24 2.251 -4.803 -2.973 187 1HD2 ASN 24 2HD2 ASN 24 3.601 -6.188 0.090 188 2HD2 ASN 24 1HD2 ASN 24 3.190 -4.697 -0.607 189 H LYS 25 H LYS 25 -1.657 -3.474 -1.338 190 HA LYS 25 HA LYS 25 -1.621 -1.772 -3.773 191 1HB LYS 25 2HB LYS 25 -3.651 -3.779 -2.792 192 2HB LYS 25 1HB LYS 25 -4.247 -2.306 -3.504 193 1HG LYS 25 2HG LYS 25 -3.115 -2.807 -5.617 194 2HG LYS 25 1HG LYS 25 -2.119 -4.025 -4.856 195 1HD LYS 25 2HD LYS 25 -3.675 -5.384 -5.906 196 2HD LYS 25 1HD LYS 25 -4.407 -5.243 -4.324 197 1HE LYS 25 2HE LYS 25 -5.120 -3.381 -6.634 198 2HE LYS 25 1HE LYS 25 -5.982 -4.874 -6.305 199 1HZ LYS 25 3HZ LYS 25 -6.226 -3.958 -3.962 200 2HZ LYS 25 2HZ LYS 25 -5.809 -2.459 -4.639 201 3HZ LYS 25 1HZ LYS 25 -7.185 -3.284 -5.191 202 H CYS 26 H CYS 26 -2.977 0.215 -3.394 203 HA CYS 26 HA CYS 26 -2.494 1.222 -0.743 204 1HB CYS 26 2HB CYS 26 -3.940 2.282 -3.156 205 2HB CYS 26 1HB CYS 26 -3.942 3.152 -1.658 206 H VAL 27 H VAL 27 -4.287 2.449 0.343 207 HA VAL 27 HA VAL 27 -6.758 0.791 0.577 208 HB VAL 27 HB VAL 27 -5.166 2.016 2.877 209 1HG1 VAL 27 1HG1 VAL 27 -7.537 0.091 2.777 210 2HG1 VAL 27 3HG1 VAL 27 -6.616 0.412 4.235 211 3HG1 VAL 27 2HG1 VAL 27 -7.528 1.704 3.475 212 1HG2 VAL 27 3HG2 VAL 27 -5.277 -0.879 1.911 213 2HG2 VAL 27 2HG2 VAL 27 -3.870 0.160 1.837 214 3HG2 VAL 27 1HG2 VAL 27 -4.490 -0.356 3.390 No H/Q in entry = 214 Start of MODEL 16 1 1H CYS 1 3H CYS 1 -0.003 12.278 -4.800 2 2H CYS 1 2H CYS 1 -1.446 13.169 -4.719 3 3H CYS 1 1H CYS 1 -0.200 13.470 -3.604 4 HA CYS 1 HA CYS 1 -0.466 11.240 -2.686 5 1HB CYS 1 2HB CYS 1 -2.085 12.083 -1.286 6 2HB CYS 1 1HB CYS 1 -2.037 13.483 -2.296 7 H ARG 2 H ARG 2 -0.774 9.243 -3.470 8 HA ARG 2 HA ARG 2 -2.226 8.775 -5.947 9 1HB ARG 2 2HB ARG 2 -0.402 7.258 -4.170 10 2HB ARG 2 1HB ARG 2 -1.569 6.257 -4.982 11 1HG ARG 2 2HG ARG 2 -0.356 8.238 -6.822 12 2HG ARG 2 1HG ARG 2 0.850 7.241 -6.038 13 1HD ARG 2 2HD ARG 2 -0.317 5.194 -6.746 14 2HD ARG 2 1HD ARG 2 -1.602 6.148 -7.483 15 HE ARG 2 HE ARG 2 -0.125 6.714 -9.263 16 1HH1 ARG 2 1HH2 ARG 2 2.331 7.453 -8.034 17 2HH1 ARG 2 2HH2 ARG 2 3.397 6.118 -8.318 18 1HH2 ARG 2 2HH1 ARG 2 0.766 3.924 -9.063 19 2HH2 ARG 2 1HH1 ARG 2 2.486 4.064 -8.915 20 H ILE 3 H ILE 3 -3.697 6.995 -6.253 21 HA ILE 3 HA ILE 3 -5.996 7.269 -4.526 22 HB ILE 3 HB ILE 3 -6.917 5.513 -6.218 23 1HG1 ILE 3 2HG1 ILE 3 -4.655 6.289 -8.046 24 2HG1 ILE 3 1HG1 ILE 3 -4.297 5.062 -6.858 25 1HG2 ILE 3 1HG2 ILE 3 -5.903 8.226 -7.170 26 2HG2 ILE 3 3HG2 ILE 3 -7.124 7.273 -8.000 27 3HG2 ILE 3 2HG2 ILE 3 -7.447 7.903 -6.395 28 1HD1 ILE 3 1HD1 ILE 3 -6.799 4.805 -8.522 29 2HD1 ILE 3 3HD1 ILE 3 -5.243 4.323 -9.174 30 3HD1 ILE 3 2HD1 ILE 3 -5.863 3.547 -7.726 31 HA HYP 4 HA HYP 4 -5.784 3.326 -2.230 32 1HB HYP 4 1HB HYP 4 -7.896 2.930 -1.468 33 2HB HYP 4 2HB HYP 4 -8.567 2.853 -3.087 34 1HD HYP 4 1HD1 HYP 4 -7.142 6.631 -2.698 35 2HD HYP 4 2HD1 HYP 4 -7.995 6.037 -4.134 36 HOD HYP 4 HD2 HYP 4 -8.290 6.216 -0.925 37 HG HYP 4 HG HYP 4 -9.460 5.000 -2.551 38 H ASN 5 H ASN 5 -6.227 1.063 -2.671 39 HA ASN 5 HA ASN 5 -5.846 -0.869 -3.816 40 1HB ASN 5 2HB ASN 5 -7.330 -1.329 -5.569 41 2HB ASN 5 1HB ASN 5 -8.121 -0.001 -4.752 42 1HD2 ASN 5 2HD2 ASN 5 -8.150 2.017 -7.620 43 2HD2 ASN 5 1HD2 ASN 5 -8.712 1.744 -6.041 44 H GLN 6 H GLN 6 -4.297 1.875 -5.052 45 HA GLN 6 HA GLN 6 -3.110 0.729 -7.401 46 1HB GLN 6 2HB GLN 6 -3.202 3.236 -6.586 47 2HB GLN 6 1HB GLN 6 -1.738 2.847 -5.712 48 1HG GLN 6 2HG GLN 6 -0.684 3.384 -7.696 49 2HG GLN 6 1HG GLN 6 -1.126 1.764 -8.181 50 1HE2 GLN 6 2HE2 GLN 6 -3.916 2.877 -10.189 51 2HE2 GLN 6 1HE2 GLN 6 -3.471 1.622 -9.135 52 H LYS 7 H LYS 7 -1.589 -0.737 -7.559 53 HA LYS 7 HA LYS 7 -0.537 -2.257 -5.497 54 1HB LYS 7 2HB LYS 7 -0.528 -2.703 -8.022 55 2HB LYS 7 1HB LYS 7 0.919 -1.730 -8.116 56 1HG LYS 7 2HG LYS 7 1.693 -3.996 -7.929 57 2HG LYS 7 1HG LYS 7 1.960 -3.288 -6.353 58 1HD LYS 7 2HD LYS 7 0.975 -5.390 -5.861 59 2HD LYS 7 1HD LYS 7 -0.361 -4.282 -5.689 60 1HE LYS 7 2HE LYS 7 -0.677 -4.893 -8.326 61 2HE LYS 7 1HE LYS 7 0.095 -6.368 -7.765 62 1HZ LYS 7 1HZ LYS 7 -1.606 -6.260 -5.891 63 2HZ LYS 7 3HZ LYS 7 -2.438 -5.162 -6.883 64 3HZ LYS 7 2HZ LYS 7 -2.136 -6.741 -7.432 65 H CYS 8 H CYS 8 0.336 -1.351 -3.812 66 HA CYS 8 HA CYS 8 2.975 -0.007 -4.042 67 1HB CYS 8 2HB CYS 8 2.334 1.676 -2.449 68 2HB CYS 8 1HB CYS 8 1.203 1.718 -3.769 69 H PHE 9 H PHE 9 4.353 -0.549 -2.408 70 HA PHE 9 HA PHE 9 3.548 -2.867 -0.769 71 1HB PHE 9 2HB PHE 9 6.287 -1.557 -1.028 72 2HB PHE 9 1HB PHE 9 5.940 -3.158 -0.387 73 HD1 PHE 9 HD1 PHE 9 5.092 -4.956 -1.918 74 HD2 PHE 9 HD2 PHE 9 6.293 -1.157 -3.430 75 HE1 PHE 9 HE1 PHE 9 5.180 -5.883 -4.187 76 HE2 PHE 9 HE2 PHE 9 6.382 -2.088 -5.694 77 HZ PHE 9 HZ PHE 9 5.825 -4.452 -6.079 78 H GLN 10 H GLN 10 4.119 -3.044 1.406 79 HA GLN 10 HA GLN 10 3.033 -1.135 3.101 80 1HB GLN 10 2HB GLN 10 5.144 -3.082 4.085 81 2HB GLN 10 1HB GLN 10 3.695 -2.556 4.906 82 1HG GLN 10 2HG GLN 10 3.810 -4.473 2.521 83 2HG GLN 10 1HG GLN 10 3.399 -4.862 4.176 84 1HE2 GLN 10 2HE2 GLN 10 0.594 -3.107 1.778 85 2HE2 GLN 10 1HE2 GLN 10 2.211 -3.182 1.275 86 H HIS 11 H HIS 11 6.105 -1.220 1.711 87 HA HIS 11 HA HIS 11 7.321 0.687 3.621 88 1HB HIS 11 2HB HIS 11 8.460 -1.490 2.665 89 2HB HIS 11 1HB HIS 11 8.732 -0.520 1.228 90 HD1 HIS 11 HD1 HIS 11 10.199 1.684 1.697 91 HD2 HIS 11 HD2 HIS 11 10.079 -0.965 4.794 92 HE1 HIS 11 HE1 HIS 11 12.041 2.319 3.216 93 H LEU 12 H LEU 12 6.458 0.301 0.249 94 HA LEU 12 HA LEU 12 7.172 3.113 -0.384 95 1HB LEU 12 2HB LEU 12 6.380 0.746 -2.121 96 2HB LEU 12 1HB LEU 12 6.732 2.338 -2.763 97 HG LEU 12 HG LEU 12 8.762 0.938 -0.981 98 1HD1 LEU 12 3HD1 LEU 12 8.286 0.511 -3.952 99 2HD1 LEU 12 2HD1 LEU 12 9.839 0.195 -3.197 100 3HD1 LEU 12 1HD1 LEU 12 8.423 -0.704 -2.691 101 1HD2 LEU 12 3HD2 LEU 12 8.972 3.034 -3.193 102 2HD2 LEU 12 2HD2 LEU 12 9.137 3.334 -1.470 103 3HD2 LEU 12 1HD2 LEU 12 10.336 2.369 -2.309 104 H ASP 13 H ASP 13 5.329 3.519 1.155 105 HA ASP 13 HA ASP 13 2.620 3.302 0.054 106 1HB ASP 13 2HB ASP 13 3.782 4.555 2.568 107 2HB ASP 13 1HB ASP 13 2.078 4.676 2.157 108 H ASP 14 H ASP 14 2.643 4.425 -1.820 109 HA ASP 14 HA ASP 14 3.340 7.278 -1.921 110 1HB ASP 14 2HB ASP 14 2.628 6.913 -4.365 111 2HB ASP 14 1HB ASP 14 4.030 6.006 -3.840 112 H CYS 15 H CYS 15 0.666 5.303 -1.395 113 HA CYS 15 HA CYS 15 -1.565 6.534 -2.427 114 1HB CYS 15 2HB CYS 15 -1.471 5.482 0.348 115 2HB CYS 15 1HB CYS 15 -2.747 5.253 -0.825 116 H CYS 16 H CYS 16 -3.233 7.763 -1.441 117 HA CYS 16 HA CYS 16 -2.299 10.285 -0.382 118 1HB CYS 16 2HB CYS 16 -4.522 9.590 -1.774 119 2HB CYS 16 1HB CYS 16 -5.200 9.471 -0.178 120 H SER 17 H SER 17 -3.791 7.411 0.865 121 HA SER 17 HA SER 17 -4.055 8.373 3.601 122 1HB SER 17 2HB SER 17 -4.918 6.071 3.972 123 2HB SER 17 1HB SER 17 -5.656 6.713 2.500 124 HG SER 17 HG SER 17 -4.093 5.662 1.301 125 H ARG 18 H ARG 18 -1.614 7.212 1.656 126 HA ARG 18 HA ARG 18 0.530 6.388 1.972 127 1HB ARG 18 2HB ARG 18 0.155 7.610 4.765 128 2HB ARG 18 1HB ARG 18 1.688 7.194 4.038 129 1HG ARG 18 2HG ARG 18 1.794 9.269 3.154 130 2HG ARG 18 1HG ARG 18 0.469 8.847 2.097 131 1HD ARG 18 2HD ARG 18 -1.138 9.567 3.924 132 2HD ARG 18 1HD ARG 18 0.252 10.112 4.859 133 HE ARG 18 HE ARG 18 0.619 11.379 2.449 134 1HH1 ARG 18 1HH2 ARG 18 -0.954 11.964 5.276 135 2HH1 ARG 18 2HH2 ARG 18 -2.101 13.103 4.650 136 1HH2 ARG 18 2HH1 ARG 18 -1.269 12.416 1.318 137 2HH2 ARG 18 1HH1 ARG 18 -2.282 13.364 2.356 138 H LYS 19 H LYS 19 -1.739 4.743 2.510 139 HA LYS 19 HA LYS 19 -0.551 2.722 4.334 140 1HB LYS 19 2HB LYS 19 -3.296 3.914 4.226 141 2HB LYS 19 1HB LYS 19 -3.186 2.207 4.559 142 1HG LYS 19 2HG LYS 19 -1.688 2.653 6.481 143 2HG LYS 19 1HG LYS 19 -1.652 4.364 6.083 144 1HD LYS 19 2HD LYS 19 -4.186 4.400 6.401 145 2HD LYS 19 1HD LYS 19 -4.074 2.754 7.001 146 1HE LYS 19 2HE LYS 19 -2.583 5.133 8.202 147 2HE LYS 19 1HE LYS 19 -4.061 4.440 8.856 148 1HZ LYS 19 2HZ LYS 19 -2.752 2.265 8.859 149 2HZ LYS 19 1HZ LYS 19 -1.376 3.248 8.714 150 3HZ LYS 19 3HZ LYS 19 -2.404 3.420 10.054 151 H CYS 20 H CYS 20 -0.177 0.879 3.370 152 HA CYS 20 HA CYS 20 -1.625 0.153 0.891 153 1HB CYS 20 2HB CYS 20 1.230 -0.330 1.803 154 2HB CYS 20 1HB CYS 20 0.521 -1.039 0.385 155 H ASN 21 H ASN 21 -2.917 -1.513 1.259 156 HA ASN 21 HA ASN 21 -2.926 -3.016 3.713 157 1HB ASN 21 2HB ASN 21 -4.713 -4.411 2.416 158 2HB ASN 21 1HB ASN 21 -5.051 -2.713 2.678 159 1HD2 ASN 21 2HD2 ASN 21 -3.654 -3.521 -1.083 160 2HD2 ASN 21 1HD2 ASN 21 -2.800 -4.075 0.268 161 H ARG 22 H ARG 22 -3.245 -5.457 3.533 162 HA ARG 22 HA ARG 22 -0.793 -6.689 3.207 163 1HB ARG 22 2HB ARG 22 -2.010 -8.760 3.678 164 2HB ARG 22 1HB ARG 22 -2.652 -7.460 4.654 165 1HG ARG 22 2HG ARG 22 -4.449 -7.144 2.803 166 2HG ARG 22 1HG ARG 22 -3.879 -8.660 2.132 167 1HD ARG 22 2HD ARG 22 -5.720 -9.236 3.567 168 2HD ARG 22 1HD ARG 22 -4.276 -9.681 4.471 169 HE ARG 22 HE ARG 22 -5.311 -6.957 4.952 170 1HH1 ARG 22 2HH1 ARG 22 -3.631 -8.032 6.980 171 2HH1 ARG 22 1HH1 ARG 22 -4.712 -8.737 8.136 172 1HH2 ARG 22 1HH2 ARG 22 -7.391 -8.810 5.877 173 2HH2 ARG 22 2HH2 ARG 22 -6.900 -9.190 7.494 174 H PHE 23 H PHE 23 -3.119 -6.057 0.758 175 HA PHE 23 HA PHE 23 -2.156 -8.167 -1.046 176 1HB PHE 23 2HB PHE 23 -4.234 -5.955 -1.320 177 2HB PHE 23 1HB PHE 23 -3.901 -7.161 -2.546 178 HD1 PHE 23 HD2 PHE 23 -4.092 -9.653 -1.865 179 HD2 PHE 23 HD1 PHE 23 -5.749 -6.478 0.449 180 HE1 PHE 23 HE2 PHE 23 -5.575 -11.242 -0.743 181 HE2 PHE 23 HE1 PHE 23 -7.232 -8.076 1.568 182 HZ PHE 23 HZ PHE 23 -7.151 -10.464 0.975 183 H ASN 24 H ASN 24 -0.645 -5.721 -0.019 184 HA ASN 24 HA ASN 24 0.881 -4.152 -0.745 185 1HB ASN 24 2HB ASN 24 1.094 -6.181 -3.039 186 2HB ASN 24 1HB ASN 24 2.287 -4.937 -2.678 187 1HD2 ASN 24 2HD2 ASN 24 1.903 -8.110 -0.088 188 2HD2 ASN 24 1HD2 ASN 24 0.599 -7.692 -1.089 189 H LYS 25 H LYS 25 -1.713 -3.588 -1.315 190 HA LYS 25 HA LYS 25 -1.519 -1.895 -3.760 191 1HB LYS 25 2HB LYS 25 -3.667 -3.777 -2.789 192 2HB LYS 25 1HB LYS 25 -4.189 -2.279 -3.513 193 1HG LYS 25 2HG LYS 25 -2.731 -2.862 -5.526 194 2HG LYS 25 1HG LYS 25 -2.346 -4.381 -4.744 195 1HD LYS 25 2HD LYS 25 -5.227 -3.551 -5.256 196 2HD LYS 25 1HD LYS 25 -4.285 -4.373 -6.482 197 1HE LYS 25 2HE LYS 25 -3.803 -6.194 -4.728 198 2HE LYS 25 1HE LYS 25 -5.016 -5.414 -3.719 199 1HZ LYS 25 1HZ LYS 25 -5.461 -6.450 -6.454 200 2HZ LYS 25 3HZ LYS 25 -5.946 -7.203 -5.011 201 3HZ LYS 25 2HZ LYS 25 -6.629 -5.715 -5.463 202 H CYS 26 H CYS 26 -2.958 0.090 -3.490 203 HA CYS 26 HA CYS 26 -2.400 1.217 -0.888 204 1HB CYS 26 2HB CYS 26 -3.766 2.208 -3.368 205 2HB CYS 26 1HB CYS 26 -3.790 3.147 -1.912 206 H VAL 27 H VAL 27 -4.056 2.563 0.130 207 HA VAL 27 HA VAL 27 -6.668 1.168 0.469 208 HB VAL 27 HB VAL 27 -4.886 2.245 2.706 209 1HG1 VAL 27 2HG1 VAL 27 -7.502 0.680 2.671 210 2HG1 VAL 27 1HG1 VAL 27 -6.484 0.739 4.098 211 3HG1 VAL 27 3HG1 VAL 27 -7.187 2.217 3.466 212 1HG2 VAL 27 2HG2 VAL 27 -5.332 -0.635 1.789 213 2HG2 VAL 27 1HG2 VAL 27 -3.823 0.243 1.684 214 3HG2 VAL 27 3HG2 VAL 27 -4.471 -0.186 3.250 No H/Q in entry = 214 Start of MODEL 17 1 1H CYS 1 2H CYS 1 -1.017 12.372 -5.427 2 2H CYS 1 1H CYS 1 0.157 12.883 -4.311 3 3H CYS 1 3H CYS 1 0.439 11.513 -5.273 4 HA CYS 1 HA CYS 1 -0.127 10.817 -3.064 5 1HB CYS 1 2HB CYS 1 -1.797 11.842 -1.872 6 2HB CYS 1 1HB CYS 1 -1.676 13.092 -3.055 7 H ARG 2 H ARG 2 -0.210 8.771 -3.711 8 HA ARG 2 HA ARG 2 -1.477 7.781 -6.045 9 1HB ARG 2 2HB ARG 2 0.228 6.728 -4.041 10 2HB ARG 2 1HB ARG 2 -1.196 5.711 -3.974 11 1HG ARG 2 2HG ARG 2 -0.992 5.447 -6.500 12 2HG ARG 2 1HG ARG 2 0.588 6.203 -6.360 13 1HD ARG 2 2HD ARG 2 0.987 4.377 -4.460 14 2HD ARG 2 1HD ARG 2 -0.344 3.542 -5.243 15 HE ARG 2 HE ARG 2 1.001 3.553 -7.340 16 1HH1 ARG 2 2HH1 ARG 2 3.113 5.250 -7.327 17 2HH1 ARG 2 1HH1 ARG 2 4.443 4.431 -6.576 18 1HH2 ARG 2 1HH2 ARG 2 2.381 2.043 -5.068 19 2HH2 ARG 2 2HH2 ARG 2 4.019 2.570 -5.265 20 H ILE 3 H ILE 3 -3.400 6.846 -6.471 21 HA ILE 3 HA ILE 3 -5.624 7.435 -4.765 22 HB ILE 3 HB ILE 3 -6.841 6.002 -6.549 23 1HG1 ILE 3 2HG1 ILE 3 -4.506 6.202 -8.385 24 2HG1 ILE 3 1HG1 ILE 3 -4.242 5.081 -7.075 25 1HG2 ILE 3 1HG2 ILE 3 -5.145 8.381 -7.418 26 2HG2 ILE 3 3HG2 ILE 3 -6.537 7.773 -8.299 27 3HG2 ILE 3 2HG2 ILE 3 -6.743 8.457 -6.697 28 1HD1 ILE 3 2HD1 ILE 3 -6.707 5.013 -8.837 29 2HD1 ILE 3 1HD1 ILE 3 -5.271 4.034 -9.103 30 3HD1 ILE 3 3HD1 ILE 3 -6.222 3.814 -7.643 31 HA HYP 4 HA HYP 4 -5.922 3.729 -2.298 32 1HB HYP 4 1HB HYP 4 -8.017 3.728 -1.395 33 2HB HYP 4 2HB HYP 4 -8.773 3.374 -2.936 34 1HD HYP 4 1HD1 HYP 4 -7.050 7.057 -3.238 35 2HD HYP 4 2HD1 HYP 4 -7.956 6.316 -4.569 36 HOD HYP 4 HD2 HYP 4 -8.452 7.010 -1.404 37 HG HYP 4 HG HYP 4 -9.487 5.637 -2.871 38 H ASN 5 H ASN 5 -6.096 1.525 -2.475 39 HA ASN 5 HA ASN 5 -5.964 -0.568 -3.405 40 1HB ASN 5 2HB ASN 5 -7.758 -1.182 -4.694 41 2HB ASN 5 1HB ASN 5 -8.314 0.432 -4.359 42 1HD2 ASN 5 2HD2 ASN 5 -8.671 -0.283 -8.000 43 2HD2 ASN 5 1HD2 ASN 5 -9.215 -1.033 -6.577 44 H GLN 6 H GLN 6 -4.562 2.054 -4.977 45 HA GLN 6 HA GLN 6 -3.530 0.673 -7.301 46 1HB GLN 6 2HB GLN 6 -3.766 3.133 -7.083 47 2HB GLN 6 1HB GLN 6 -2.466 3.168 -5.910 48 1HG GLN 6 2HG GLN 6 -0.835 2.903 -7.540 49 2HG GLN 6 1HG GLN 6 -1.776 1.734 -8.443 50 1HE2 GLN 6 2HE2 GLN 6 -3.120 4.107 -10.669 51 2HE2 GLN 6 1HE2 GLN 6 -3.116 2.489 -10.153 52 H LYS 7 H LYS 7 -1.852 -0.603 -7.478 53 HA LYS 7 HA LYS 7 -0.601 -1.948 -5.443 54 1HB LYS 7 2HB LYS 7 -0.498 -2.075 -8.165 55 2HB LYS 7 1HB LYS 7 1.121 -1.508 -7.857 56 1HG LYS 7 2HG LYS 7 -0.127 -3.926 -6.466 57 2HG LYS 7 1HG LYS 7 0.839 -4.051 -7.915 58 1HD LYS 7 2HD LYS 7 1.945 -2.718 -5.402 59 2HD LYS 7 1HD LYS 7 2.035 -4.446 -5.649 60 1HE LYS 7 2HE LYS 7 3.364 -4.167 -7.662 61 2HE LYS 7 1HE LYS 7 3.131 -2.423 -7.646 62 1HZ LYS 7 3HZ LYS 7 4.464 -3.944 -5.487 63 2HZ LYS 7 2HZ LYS 7 5.275 -3.140 -6.744 64 3HZ LYS 7 1HZ LYS 7 4.349 -2.256 -5.629 65 H CYS 8 H CYS 8 0.437 -1.175 -3.793 66 HA CYS 8 HA CYS 8 2.864 0.491 -4.170 67 1HB CYS 8 2HB CYS 8 2.212 1.883 -2.241 68 2HB CYS 8 1HB CYS 8 1.108 2.055 -3.572 69 H PHE 9 H PHE 9 4.313 0.395 -2.413 70 HA PHE 9 HA PHE 9 4.350 -2.263 -1.126 71 1HB PHE 9 2HB PHE 9 6.529 -0.153 -0.921 72 2HB PHE 9 1HB PHE 9 6.688 -1.890 -0.766 73 HD1 PHE 9 HD2 PHE 9 6.228 0.889 -3.147 74 HD2 PHE 9 HD1 PHE 9 6.756 -3.324 -2.756 75 HE1 PHE 9 HE2 PHE 9 6.696 0.725 -5.545 76 HE2 PHE 9 HE1 PHE 9 7.222 -3.482 -5.159 77 HZ PHE 9 HZ PHE 9 7.192 -1.461 -6.558 78 H GLN 10 H GLN 10 4.406 -2.617 1.023 79 HA GLN 10 HA GLN 10 2.982 -0.966 2.760 80 1HB GLN 10 2HB GLN 10 4.916 -3.265 3.244 81 2HB GLN 10 1HB GLN 10 4.123 -2.463 4.581 82 1HG GLN 10 2HG GLN 10 2.670 -4.281 4.107 83 2HG GLN 10 1HG GLN 10 1.885 -2.933 3.301 84 1HE2 GLN 10 2HE2 GLN 10 2.474 -4.199 0.038 85 2HE2 GLN 10 1HE2 GLN 10 2.006 -2.843 0.947 86 H HIS 11 H HIS 11 6.331 -1.226 2.052 87 HA HIS 11 HA HIS 11 7.285 0.514 4.180 88 1HB HIS 11 2HB HIS 11 8.600 -1.410 3.075 89 2HB HIS 11 1HB HIS 11 8.797 -0.363 1.676 90 HD1 HIS 11 HD1 HIS 11 10.604 1.392 1.929 91 HD2 HIS 11 HD2 HIS 11 9.737 -0.332 5.526 92 HE1 HIS 11 HE1 HIS 11 12.287 2.240 3.525 93 H LEU 12 H LEU 12 7.098 0.735 0.671 94 HA LEU 12 HA LEU 12 7.419 3.698 0.793 95 1HB LEU 12 2HB LEU 12 7.425 1.773 -1.567 96 2HB LEU 12 1HB LEU 12 7.678 3.497 -1.686 97 HG LEU 12 HG LEU 12 9.505 2.603 0.336 98 1HD1 LEU 12 3HD1 LEU 12 9.123 0.284 -0.545 99 2HD1 LEU 12 2HD1 LEU 12 9.627 0.826 -2.138 100 3HD1 LEU 12 1HD1 LEU 12 10.773 0.827 -0.804 101 1HD2 LEU 12 3HD2 LEU 12 9.984 3.304 -2.593 102 2HD2 LEU 12 2HD2 LEU 12 9.929 4.443 -1.256 103 3HD2 LEU 12 1HD2 LEU 12 11.226 3.263 -1.351 104 H ASP 13 H ASP 13 5.245 3.302 1.902 105 HA ASP 13 HA ASP 13 2.916 3.016 0.153 106 1HB ASP 13 2HB ASP 13 1.685 3.655 2.340 107 2HB ASP 13 1HB ASP 13 2.655 2.203 2.424 108 H ASP 14 H ASP 14 3.408 4.624 -1.345 109 HA ASP 14 HA ASP 14 3.528 7.435 -0.533 110 1HB ASP 14 2HB ASP 14 3.990 7.786 -2.908 111 2HB ASP 14 1HB ASP 14 5.015 6.504 -2.305 112 H CYS 15 H CYS 15 1.078 5.605 -0.330 113 HA CYS 15 HA CYS 15 -0.893 6.577 -2.152 114 1HB CYS 15 2HB CYS 15 -1.330 5.468 0.619 115 2HB CYS 15 1HB CYS 15 -2.454 5.469 -0.709 116 H CYS 16 H CYS 16 -2.774 7.744 -1.548 117 HA CYS 16 HA CYS 16 -2.135 10.343 -0.496 118 1HB CYS 16 2HB CYS 16 -4.058 9.383 -2.159 119 2HB CYS 16 1HB CYS 16 -4.983 9.375 -0.687 120 H SER 17 H SER 17 -3.606 7.444 0.688 121 HA SER 17 HA SER 17 -4.235 8.501 3.346 122 1HB SER 17 2HB SER 17 -5.199 6.205 3.634 123 2HB SER 17 1HB SER 17 -5.792 6.925 2.134 124 HG SER 17 HG SER 17 -4.599 5.598 1.016 125 H ARG 18 H ARG 18 -1.619 7.196 1.747 126 HA ARG 18 HA ARG 18 0.450 6.347 2.349 127 1HB ARG 18 2HB ARG 18 -0.220 7.415 5.139 128 2HB ARG 18 1HB ARG 18 1.370 7.089 4.502 129 1HG ARG 18 2HG ARG 18 1.476 9.233 3.817 130 2HG ARG 18 1HG ARG 18 0.291 8.845 2.591 131 1HD ARG 18 2HD ARG 18 -1.499 9.309 4.448 132 2HD ARG 18 1HD ARG 18 -0.170 10.057 5.331 133 HE ARG 18 HE ARG 18 -0.423 11.000 2.572 134 1HH1 ARG 18 1HH2 ARG 18 0.597 12.635 4.824 135 2HH1 ARG 18 2HH2 ARG 18 -0.720 13.711 5.147 136 1HH2 ARG 18 2HH1 ARG 18 -3.021 11.749 3.382 137 2HH2 ARG 18 1HH1 ARG 18 -2.818 13.196 4.310 138 H LYS 19 H LYS 19 -2.014 4.755 2.697 139 HA LYS 19 HA LYS 19 -1.000 2.682 4.578 140 1HB LYS 19 2HB LYS 19 -3.755 3.767 4.025 141 2HB LYS 19 1HB LYS 19 -3.577 2.105 4.510 142 1HG LYS 19 2HG LYS 19 -2.219 4.311 6.103 143 2HG LYS 19 1HG LYS 19 -3.924 3.984 6.338 144 1HD LYS 19 2HD LYS 19 -3.302 1.527 6.737 145 2HD LYS 19 1HD LYS 19 -1.621 2.032 6.743 146 1HE LYS 19 2HE LYS 19 -2.104 3.595 8.631 147 2HE LYS 19 1HE LYS 19 -3.785 3.078 8.622 148 1HZ LYS 19 1HZ LYS 19 -2.860 0.761 8.932 149 2HZ LYS 19 3HZ LYS 19 -1.392 1.515 9.329 150 3HZ LYS 19 2HZ LYS 19 -2.781 1.819 10.257 151 H CYS 20 H CYS 20 -0.418 0.877 3.582 152 HA CYS 20 HA CYS 20 -1.668 0.124 1.003 153 1HB CYS 20 2HB CYS 20 1.200 0.057 1.963 154 2HB CYS 20 1HB CYS 20 0.668 -0.846 0.583 155 H ASN 21 H ASN 21 -2.877 -1.572 1.444 156 HA ASN 21 HA ASN 21 -2.696 -3.211 3.767 157 1HB ASN 21 2HB ASN 21 -4.489 -4.520 2.720 158 2HB ASN 21 1HB ASN 21 -4.775 -2.812 2.472 159 1HD2 ASN 21 2HD2 ASN 21 -5.439 -4.172 -0.801 160 2HD2 ASN 21 1HD2 ASN 21 -6.178 -3.954 0.711 161 H ARG 22 H ARG 22 -2.977 -5.694 3.320 162 HA ARG 22 HA ARG 22 -0.406 -6.741 2.954 163 1HB ARG 22 2HB ARG 22 -1.512 -8.914 3.361 164 2HB ARG 22 1HB ARG 22 -2.076 -7.699 4.487 165 1HG ARG 22 2HG ARG 22 -4.137 -7.361 3.161 166 2HG ARG 22 1HG ARG 22 -3.556 -8.469 1.929 167 1HD ARG 22 2HD ARG 22 -5.116 -9.675 3.362 168 2HD ARG 22 1HD ARG 22 -3.497 -10.301 3.665 169 HE ARG 22 HE ARG 22 -4.385 -8.112 5.439 170 1HH1 ARG 22 2HH1 ARG 22 -2.243 -10.092 6.091 171 2HH1 ARG 22 1HH1 ARG 22 -3.044 -11.149 7.204 172 1HH2 ARG 22 1HH2 ARG 22 -6.233 -10.026 6.289 173 2HH2 ARG 22 2HH2 ARG 22 -5.361 -11.111 7.319 174 H PHE 23 H PHE 23 -2.870 -6.102 0.685 175 HA PHE 23 HA PHE 23 -1.980 -8.106 -1.270 176 1HB PHE 23 2HB PHE 23 -4.098 -5.910 -1.328 177 2HB PHE 23 1HB PHE 23 -3.842 -7.074 -2.606 178 HD1 PHE 23 HD1 PHE 23 -4.044 -9.584 -2.009 179 HD2 PHE 23 HD2 PHE 23 -5.453 -6.483 0.557 180 HE1 PHE 23 HE1 PHE 23 -5.463 -11.197 -0.828 181 HE2 PHE 23 HE2 PHE 23 -6.869 -8.100 1.731 182 HZ PHE 23 HZ PHE 23 -6.879 -10.460 1.044 183 H ASN 24 H ASN 24 -0.525 -5.615 -0.167 184 HA ASN 24 HA ASN 24 0.916 -3.964 -0.891 185 1HB ASN 24 2HB ASN 24 1.133 -5.993 -3.188 186 2HB ASN 24 1HB ASN 24 2.267 -4.669 -2.946 187 1HD2 ASN 24 2HD2 ASN 24 2.215 -7.732 -0.201 188 2HD2 ASN 24 1HD2 ASN 24 0.819 -7.415 -1.111 189 H LYS 25 H LYS 25 -1.658 -3.417 -1.271 190 HA LYS 25 HA LYS 25 -1.643 -1.624 -3.635 191 1HB LYS 25 2HB LYS 25 -3.647 -3.691 -2.747 192 2HB LYS 25 1HB LYS 25 -4.262 -2.194 -3.396 193 1HG LYS 25 2HG LYS 25 -2.884 -2.533 -5.461 194 2HG LYS 25 1HG LYS 25 -2.228 -4.010 -4.785 195 1HD LYS 25 2HD LYS 25 -4.300 -5.157 -4.928 196 2HD LYS 25 1HD LYS 25 -5.227 -3.675 -5.078 197 1HE LYS 25 2HE LYS 25 -4.584 -3.343 -7.335 198 2HE LYS 25 1HE LYS 25 -3.189 -4.409 -7.202 199 1HZ LYS 25 3HZ LYS 25 -5.894 -5.477 -6.796 200 2HZ LYS 25 2HZ LYS 25 -5.298 -5.229 -8.368 201 3HZ LYS 25 1HZ LYS 25 -4.483 -6.274 -7.304 202 H CYS 26 H CYS 26 -2.885 0.341 -3.242 203 HA CYS 26 HA CYS 26 -2.564 1.288 -0.568 204 1HB CYS 26 2HB CYS 26 -3.987 2.398 -2.980 205 2HB CYS 26 1HB CYS 26 -3.883 3.264 -1.482 206 H VAL 27 H VAL 27 -4.293 2.436 0.532 207 HA VAL 27 HA VAL 27 -6.823 0.839 0.676 208 HB VAL 27 HB VAL 27 -5.287 2.120 2.990 209 1HG1 VAL 27 3HG1 VAL 27 -7.800 0.404 2.855 210 2HG1 VAL 27 2HG1 VAL 27 -6.878 0.585 4.338 211 3HG1 VAL 27 1HG1 VAL 27 -7.620 1.987 3.596 212 1HG2 VAL 27 2HG2 VAL 27 -5.450 -0.770 2.027 213 2HG2 VAL 27 1HG2 VAL 27 -4.001 0.208 2.169 214 3HG2 VAL 27 3HG2 VAL 27 -4.836 -0.329 3.613 No H/Q in entry = 214 Start of MODEL 18 1 1H CYS 1 1H CYS 1 0.306 11.595 -5.092 2 2H CYS 1 3H CYS 1 -1.011 12.667 -5.013 3 3H CYS 1 2H CYS 1 0.289 12.836 -3.933 4 HA CYS 1 HA CYS 1 -0.235 10.734 -2.901 5 1HB CYS 1 2HB CYS 1 -1.789 11.796 -1.574 6 2HB CYS 1 1HB CYS 1 -1.589 13.129 -2.650 7 H ARG 2 H ARG 2 -0.549 8.763 -3.751 8 HA ARG 2 HA ARG 2 -2.167 8.295 -6.119 9 1HB ARG 2 2HB ARG 2 -0.704 6.399 -4.241 10 2HB ARG 2 1HB ARG 2 -1.529 5.876 -5.694 11 1HG ARG 2 2HG ARG 2 -0.003 7.945 -6.699 12 2HG ARG 2 1HG ARG 2 1.021 7.412 -5.383 13 1HD ARG 2 2HD ARG 2 1.756 6.021 -7.137 14 2HD ARG 2 1HD ARG 2 0.536 4.984 -6.406 15 HE ARG 2 HE ARG 2 -1.005 6.263 -8.180 16 1HH1 ARG 2 2HH1 ARG 2 1.463 7.246 -9.571 17 2HH1 ARG 2 1HH1 ARG 2 1.692 6.042 -10.794 18 1HH2 ARG 2 1HH2 ARG 2 -0.442 3.751 -9.234 19 2HH2 ARG 2 2HH2 ARG 2 0.589 4.018 -10.598 20 H ILE 3 H ILE 3 -3.926 6.881 -6.335 21 HA ILE 3 HA ILE 3 -5.981 7.245 -4.370 22 HB ILE 3 HB ILE 3 -7.228 5.633 -5.997 23 1HG1 ILE 3 2HG1 ILE 3 -4.956 6.135 -7.902 24 2HG1 ILE 3 1HG1 ILE 3 -4.824 4.778 -6.799 25 1HG2 ILE 3 3HG2 ILE 3 -5.942 8.188 -7.049 26 2HG2 ILE 3 2HG2 ILE 3 -7.356 7.417 -7.751 27 3HG2 ILE 3 1HG2 ILE 3 -7.437 8.091 -6.133 28 1HD1 ILE 3 1HD1 ILE 3 -7.317 5.154 -8.463 29 2HD1 ILE 3 3HD1 ILE 3 -5.899 4.341 -9.104 30 3HD1 ILE 3 2HD1 ILE 3 -6.715 3.691 -7.690 31 HA HYP 4 HA HYP 4 -6.012 3.275 -2.136 32 1HB HYP 4 1HB HYP 4 -8.166 2.895 -1.456 33 2HB HYP 4 2HB HYP 4 -8.754 2.753 -3.100 34 1HD HYP 4 1HD1 HYP 4 -7.362 6.556 -2.664 35 2HD HYP 4 2HD1 HYP 4 -8.140 5.995 -4.148 36 HOD HYP 4 HD2 HYP 4 -8.043 6.025 -1.011 37 HG HYP 4 HG HYP 4 -9.694 4.893 -2.747 38 H ASN 5 H ASN 5 -6.406 1.007 -2.574 39 HA ASN 5 HA ASN 5 -5.866 -0.911 -3.694 40 1HB ASN 5 2HB ASN 5 -7.262 -1.440 -5.572 41 2HB ASN 5 1HB ASN 5 -8.194 -0.356 -4.561 42 1HD2 ASN 5 2HD2 ASN 5 -8.649 1.981 -7.128 43 2HD2 ASN 5 1HD2 ASN 5 -9.096 1.420 -5.589 44 H GLN 6 H GLN 6 -4.394 1.832 -4.754 45 HA GLN 6 HA GLN 6 -3.199 0.966 -7.216 46 1HB GLN 6 2HB GLN 6 -3.338 3.380 -6.023 47 2HB GLN 6 1HB GLN 6 -1.781 2.910 -5.385 48 1HG GLN 6 2HG GLN 6 -1.022 3.808 -7.347 49 2HG GLN 6 1HG GLN 6 -1.373 2.216 -7.986 50 1HE2 GLN 6 2HE2 GLN 6 -3.532 5.402 -9.220 51 2HE2 GLN 6 1HE2 GLN 6 -2.266 5.561 -8.102 52 H LYS 7 H LYS 7 -1.598 -0.412 -7.533 53 HA LYS 7 HA LYS 7 -0.501 -2.083 -5.579 54 1HB LYS 7 2HB LYS 7 -0.518 -2.529 -8.035 55 2HB LYS 7 1HB LYS 7 0.746 -1.338 -8.255 56 1HG LYS 7 2HG LYS 7 2.031 -3.287 -8.119 57 2HG LYS 7 1HG LYS 7 2.056 -2.807 -6.438 58 1HD LYS 7 2HD LYS 7 0.105 -4.322 -5.998 59 2HD LYS 7 1HD LYS 7 0.141 -4.824 -7.678 60 1HE LYS 7 2HE LYS 7 1.870 -6.268 -7.311 61 2HE LYS 7 1HE LYS 7 2.812 -5.065 -6.449 62 1HZ LYS 7 3HZ LYS 7 0.842 -5.627 -4.709 63 2HZ LYS 7 2HZ LYS 7 1.123 -7.137 -5.432 64 3HZ LYS 7 1HZ LYS 7 2.400 -6.298 -4.691 65 H CYS 8 H CYS 8 0.387 -1.189 -3.851 66 HA CYS 8 HA CYS 8 3.017 0.187 -4.129 67 1HB CYS 8 2HB CYS 8 2.410 1.690 -2.292 68 2HB CYS 8 1HB CYS 8 1.362 1.915 -3.662 69 H PHE 9 H PHE 9 4.497 -0.550 -2.740 70 HA PHE 9 HA PHE 9 3.775 -2.897 -1.098 71 1HB PHE 9 2HB PHE 9 6.513 -1.665 -1.630 72 2HB PHE 9 1HB PHE 9 6.206 -3.252 -0.949 73 HD1 PHE 9 HD1 PHE 9 5.708 -1.204 -4.043 74 HD2 PHE 9 HD2 PHE 9 5.788 -5.131 -2.384 75 HE1 PHE 9 HE1 PHE 9 5.585 -2.155 -6.292 76 HE2 PHE 9 HE2 PHE 9 5.665 -6.076 -4.644 77 HZ PHE 9 HZ PHE 9 5.563 -4.593 -6.602 78 H GLN 10 H GLN 10 4.338 -3.090 1.030 79 HA GLN 10 HA GLN 10 3.536 -1.146 2.799 80 1HB GLN 10 2HB GLN 10 5.606 -3.214 3.586 81 2HB GLN 10 1HB GLN 10 4.276 -2.597 4.543 82 1HG GLN 10 2HG GLN 10 4.179 -4.595 2.256 83 2HG GLN 10 1HG GLN 10 3.549 -4.770 3.884 84 1HE2 GLN 10 2HE2 GLN 10 1.068 -3.527 1.049 85 2HE2 GLN 10 1HE2 GLN 10 2.553 -4.294 0.751 86 H HIS 11 H HIS 11 6.558 -1.251 1.254 87 HA HIS 11 HA HIS 11 7.942 0.439 3.245 88 1HB HIS 11 2HB HIS 11 8.808 -0.732 0.562 89 2HB HIS 11 1HB HIS 11 9.846 0.274 1.565 90 HD1 HIS 11 HD1 HIS 11 11.101 -1.004 3.303 91 HD2 HIS 11 HD2 HIS 11 7.903 -3.186 2.005 92 HE1 HIS 11 HE1 HIS 11 11.277 -3.209 4.393 93 H LEU 12 H LEU 12 7.158 0.565 -0.188 94 HA LEU 12 HA LEU 12 7.322 3.531 -0.167 95 1HB LEU 12 2HB LEU 12 7.158 3.294 -2.651 96 2HB LEU 12 1HB LEU 12 8.545 2.498 -1.960 97 HG LEU 12 HG LEU 12 6.166 0.701 -2.178 98 1HD1 LEU 12 2HD1 LEU 12 7.149 2.238 -4.563 99 2HD1 LEU 12 1HD1 LEU 12 6.951 0.513 -4.794 100 3HD1 LEU 12 3HD1 LEU 12 5.586 1.488 -4.277 101 1HD2 LEU 12 1HD2 LEU 12 9.066 0.497 -3.111 102 2HD2 LEU 12 3HD2 LEU 12 8.436 -0.113 -1.590 103 3HD2 LEU 12 2HD2 LEU 12 7.916 -0.826 -3.106 104 H ASP 13 H ASP 13 5.382 3.221 1.259 105 HA ASP 13 HA ASP 13 2.807 2.838 -0.118 106 1HB ASP 13 2HB ASP 13 1.992 3.676 2.297 107 2HB ASP 13 1HB ASP 13 2.661 2.069 2.133 108 H ASP 14 H ASP 14 3.231 4.428 -1.666 109 HA ASP 14 HA ASP 14 3.350 7.263 -0.921 110 1HB ASP 14 2HB ASP 14 3.437 7.465 -3.493 111 2HB ASP 14 1HB ASP 14 4.767 6.613 -2.737 112 H CYS 15 H CYS 15 0.936 5.532 -0.440 113 HA CYS 15 HA CYS 15 -1.153 6.431 -2.207 114 1HB CYS 15 2HB CYS 15 -1.440 5.390 0.604 115 2HB CYS 15 1HB CYS 15 -2.592 5.275 -0.691 116 H CYS 16 H CYS 16 -2.995 7.683 -1.472 117 HA CYS 16 HA CYS 16 -2.172 10.236 -0.384 118 1HB CYS 16 2HB CYS 16 -4.219 9.489 -2.010 119 2HB CYS 16 1HB CYS 16 -5.085 9.441 -0.499 120 H SER 17 H SER 17 -3.747 7.364 0.710 121 HA SER 17 HA SER 17 -4.353 8.297 3.399 122 1HB SER 17 2HB SER 17 -5.087 5.910 3.672 123 2HB SER 17 1HB SER 17 -5.721 6.537 2.146 124 HG SER 17 HG SER 17 -4.593 4.513 1.959 125 H ARG 18 H ARG 18 -1.707 7.241 1.672 126 HA ARG 18 HA ARG 18 0.469 6.671 2.130 127 1HB ARG 18 2HB ARG 18 -0.411 8.478 4.239 128 2HB ARG 18 1HB ARG 18 0.637 7.298 4.983 129 1HG ARG 18 2HG ARG 18 1.405 8.739 2.413 130 2HG ARG 18 1HG ARG 18 1.718 9.437 3.989 131 1HD ARG 18 2HD ARG 18 3.305 7.809 4.564 132 2HD ARG 18 1HD ARG 18 2.596 6.603 3.499 133 HE ARG 18 HE ARG 18 3.580 7.812 1.580 134 1HH1 ARG 18 2HH1 ARG 18 4.219 10.414 2.278 135 2HH1 ARG 18 1HH1 ARG 18 5.853 10.385 2.851 136 1HH2 ARG 18 1HH2 ARG 18 5.805 6.918 3.386 137 2HH2 ARG 18 2HH2 ARG 18 6.777 8.349 3.497 138 H LYS 19 H LYS 19 -1.843 4.859 2.718 139 HA LYS 19 HA LYS 19 -0.375 2.817 4.299 140 1HB LYS 19 2HB LYS 19 -3.198 3.819 4.452 141 2HB LYS 19 1HB LYS 19 -2.904 2.135 4.780 142 1HG LYS 19 2HG LYS 19 -1.454 2.642 6.636 143 2HG LYS 19 1HG LYS 19 -1.273 4.316 6.137 144 1HD LYS 19 2HD LYS 19 -3.774 4.618 6.549 145 2HD LYS 19 1HD LYS 19 -3.791 3.005 7.238 146 1HE LYS 19 2HE LYS 19 -3.485 4.405 9.132 147 2HE LYS 19 1HE LYS 19 -1.846 3.883 8.775 148 1HZ LYS 19 3HZ LYS 19 -2.998 6.373 7.678 149 2HZ LYS 19 2HZ LYS 19 -2.180 6.314 9.165 150 3HZ LYS 19 1HZ LYS 19 -1.366 5.907 7.732 151 H CYS 20 H CYS 20 -0.224 0.866 3.421 152 HA CYS 20 HA CYS 20 -1.747 0.240 0.970 153 1HB CYS 20 2HB CYS 20 1.121 -0.361 1.765 154 2HB CYS 20 1HB CYS 20 0.339 -1.007 0.359 155 H ASN 21 H ASN 21 -2.921 -1.608 1.186 156 HA ASN 21 HA ASN 21 -2.831 -3.045 3.720 157 1HB ASN 21 2HB ASN 21 -4.818 -4.205 2.886 158 2HB ASN 21 1HB ASN 21 -4.955 -2.500 2.508 159 1HD2 ASN 21 2HD2 ASN 21 -4.537 -2.983 -1.004 160 2HD2 ASN 21 1HD2 ASN 21 -4.253 -1.860 0.237 161 H ARG 22 H ARG 22 -3.424 -5.523 3.224 162 HA ARG 22 HA ARG 22 -1.043 -6.901 3.054 163 1HB ARG 22 2HB ARG 22 -2.541 -8.934 2.946 164 2HB ARG 22 1HB ARG 22 -2.881 -7.814 4.246 165 1HG ARG 22 2HG ARG 22 -4.844 -6.971 3.192 166 2HG ARG 22 1HG ARG 22 -4.374 -7.556 1.611 167 1HD ARG 22 2HD ARG 22 -6.181 -8.964 2.577 168 2HD ARG 22 1HD ARG 22 -4.709 -9.902 2.352 169 HE ARG 22 HE ARG 22 -4.457 -10.026 4.710 170 1HH1 ARG 22 1HH2 ARG 22 -5.100 -7.138 5.249 171 2HH1 ARG 22 2HH2 ARG 22 -6.565 -7.260 6.168 172 1HH2 ARG 22 2HH1 ARG 22 -7.127 -10.581 5.201 173 2HH2 ARG 22 1HH1 ARG 22 -7.740 -9.261 6.140 174 H PHE 23 H PHE 23 -3.177 -6.176 0.372 175 HA PHE 23 HA PHE 23 -1.875 -8.140 -1.380 176 1HB PHE 23 2HB PHE 23 -3.992 -6.029 -1.951 177 2HB PHE 23 1HB PHE 23 -3.539 -7.349 -3.001 178 HD1 PHE 23 HD1 PHE 23 -3.464 -9.724 -1.345 179 HD2 PHE 23 HD2 PHE 23 -6.132 -6.403 -1.093 180 HE1 PHE 23 HE1 PHE 23 -5.143 -11.145 -0.267 181 HE2 PHE 23 HE2 PHE 23 -7.801 -7.834 -0.016 182 HZ PHE 23 HZ PHE 23 -7.314 -10.207 0.399 183 H ASN 24 H ASN 24 -0.585 -5.660 -0.154 184 HA ASN 24 HA ASN 24 0.879 -3.952 -0.761 185 1HB ASN 24 2HB ASN 24 1.300 -6.071 -2.915 186 2HB ASN 24 1HB ASN 24 2.312 -4.630 -2.841 187 1HD2 ASN 24 2HD2 ASN 24 2.561 -7.441 0.143 188 2HD2 ASN 24 1HD2 ASN 24 1.153 -7.343 -0.801 189 H LYS 25 H LYS 25 -1.631 -3.484 -1.282 190 HA LYS 25 HA LYS 25 -1.670 -1.823 -3.751 191 1HB LYS 25 2HB LYS 25 -3.678 -3.700 -2.516 192 2HB LYS 25 1HB LYS 25 -4.290 -2.240 -3.256 193 1HG LYS 25 2HG LYS 25 -2.922 -2.900 -5.347 194 2HG LYS 25 1HG LYS 25 -2.637 -4.441 -4.559 195 1HD LYS 25 2HD LYS 25 -4.991 -4.965 -4.496 196 2HD LYS 25 1HD LYS 25 -5.441 -3.331 -4.947 197 1HE LYS 25 2HE LYS 25 -4.239 -3.699 -7.162 198 2HE LYS 25 1HE LYS 25 -4.060 -5.390 -6.706 199 1HZ LYS 25 2HZ LYS 25 -6.694 -4.084 -6.631 200 2HZ LYS 25 1HZ LYS 25 -6.068 -4.697 -8.086 201 3HZ LYS 25 3HZ LYS 25 -6.319 -5.734 -6.764 202 H CYS 26 H CYS 26 -3.150 0.146 -3.349 203 HA CYS 26 HA CYS 26 -2.432 1.269 -0.756 204 1HB CYS 26 2HB CYS 26 -3.769 2.292 -3.222 205 2HB CYS 26 1HB CYS 26 -3.828 3.235 -1.772 206 H VAL 27 H VAL 27 -4.090 2.709 0.244 207 HA VAL 27 HA VAL 27 -6.640 1.242 0.761 208 HB VAL 27 HB VAL 27 -4.785 2.681 2.731 209 1HG1 VAL 27 2HG1 VAL 27 -7.521 1.403 3.131 210 2HG1 VAL 27 1HG1 VAL 27 -6.395 1.635 4.458 211 3HG1 VAL 27 3HG1 VAL 27 -7.007 3.024 3.583 212 1HG2 VAL 27 3HG2 VAL 27 -3.972 0.428 2.013 213 2HG2 VAL 27 2HG2 VAL 27 -4.482 0.393 3.688 214 3HG2 VAL 27 1HG2 VAL 27 -5.525 -0.268 2.440 No H/Q in entry = 214 Start of MODEL 19 1 1H CYS 1 3H CYS 1 0.404 11.866 -4.952 2 2H CYS 1 2H CYS 1 -0.917 12.931 -4.849 3 3H CYS 1 1H CYS 1 0.384 13.081 -3.766 4 HA CYS 1 HA CYS 1 -0.128 10.935 -2.802 5 1HB CYS 1 2HB CYS 1 -1.649 11.964 -1.419 6 2HB CYS 1 1HB CYS 1 -1.451 13.327 -2.458 7 H ARG 2 H ARG 2 -0.572 8.977 -3.621 8 HA ARG 2 HA ARG 2 -2.117 8.603 -6.047 9 1HB ARG 2 2HB ARG 2 -0.554 6.816 -4.201 10 2HB ARG 2 1HB ARG 2 -1.636 6.064 -5.344 11 1HG ARG 2 2HG ARG 2 0.276 8.209 -6.313 12 2HG ARG 2 1HG ARG 2 0.883 6.598 -6.021 13 1HD ARG 2 2HD ARG 2 -1.528 6.244 -7.540 14 2HD ARG 2 1HD ARG 2 -0.645 7.560 -8.297 15 HE ARG 2 HE ARG 2 0.748 4.999 -7.655 16 1HH1 ARG 2 1HH2 ARG 2 2.530 6.622 -9.012 17 2HH1 ARG 2 2HH2 ARG 2 2.224 6.386 -10.700 18 1HH2 ARG 2 2HH1 ARG 2 -0.948 5.015 -10.146 19 2HH2 ARG 2 1HH1 ARG 2 0.211 5.454 -11.357 20 H ILE 3 H ILE 3 -3.668 6.864 -6.275 21 HA ILE 3 HA ILE 3 -5.946 7.305 -4.539 22 HB ILE 3 HB ILE 3 -7.026 5.705 -6.243 23 1HG1 ILE 3 2HG1 ILE 3 -4.964 6.148 -8.291 24 2HG1 ILE 3 1HG1 ILE 3 -4.285 5.233 -6.972 25 1HG2 ILE 3 2HG2 ILE 3 -5.696 8.266 -7.204 26 2HG2 ILE 3 1HG2 ILE 3 -7.037 7.474 -8.017 27 3HG2 ILE 3 3HG2 ILE 3 -7.259 8.144 -6.410 28 1HD1 ILE 3 3HD1 ILE 3 -6.951 4.241 -7.801 29 2HD1 ILE 3 2HD1 ILE 3 -5.717 4.142 -9.042 30 3HD1 ILE 3 1HD1 ILE 3 -5.457 3.368 -7.494 31 HA HYP 4 HA HYP 4 -6.019 3.349 -2.250 32 1HB HYP 4 1HB HYP 4 -8.196 3.017 -1.608 33 2HB HYP 4 2HB HYP 4 -8.793 3.062 -3.257 34 1HD HYP 4 1HD1 HYP 4 -7.120 6.698 -2.671 35 2HD HYP 4 2HD1 HYP 4 -7.996 6.242 -4.141 36 HOD HYP 4 HD2 HYP 4 -8.365 6.309 -0.945 37 HG HYP 4 HG HYP 4 -9.564 5.237 -2.638 38 H ASN 5 H ASN 5 -6.260 1.125 -2.724 39 HA ASN 5 HA ASN 5 -5.981 -0.815 -3.926 40 1HB ASN 5 2HB ASN 5 -7.503 -1.172 -5.616 41 2HB ASN 5 1HB ASN 5 -8.127 0.378 -5.110 42 1HD2 ASN 5 2HD2 ASN 5 -7.579 1.844 -8.247 43 2HD2 ASN 5 1HD2 ASN 5 -8.325 1.926 -6.724 44 H GLN 6 H GLN 6 -4.499 2.039 -5.009 45 HA GLN 6 HA GLN 6 -3.020 1.228 -7.257 46 1HB GLN 6 2HB GLN 6 -3.116 3.547 -6.478 47 2HB GLN 6 1HB GLN 6 -2.321 3.131 -4.986 48 1HG GLN 6 2HG GLN 6 -0.652 4.149 -6.389 49 2HG GLN 6 1HG GLN 6 -0.265 2.441 -6.348 50 1HE2 GLN 6 2HE2 GLN 6 -2.120 3.766 -9.780 51 2HE2 GLN 6 1HE2 GLN 6 -2.679 4.318 -8.275 52 H LYS 7 H LYS 7 -1.641 -0.367 -7.490 53 HA LYS 7 HA LYS 7 -0.679 -2.052 -5.448 54 1HB LYS 7 2HB LYS 7 -0.847 -2.486 -7.987 55 2HB LYS 7 1HB LYS 7 0.674 -1.639 -8.149 56 1HG LYS 7 2HG LYS 7 1.170 -4.000 -8.027 57 2HG LYS 7 1HG LYS 7 1.699 -3.297 -6.516 58 1HD LYS 7 2HD LYS 7 0.271 -4.593 -5.307 59 2HD LYS 7 1HD LYS 7 -1.107 -4.152 -6.297 60 1HE LYS 7 2HE LYS 7 -0.662 -5.937 -7.838 61 2HE LYS 7 1HE LYS 7 0.946 -6.210 -7.173 62 1HZ LYS 7 3HZ LYS 7 -0.274 -6.679 -5.011 63 2HZ LYS 7 2HZ LYS 7 -1.670 -6.822 -5.968 64 3HZ LYS 7 1HZ LYS 7 -0.346 -7.854 -6.235 65 H CYS 8 H CYS 8 0.314 -1.103 -3.824 66 HA CYS 8 HA CYS 8 2.948 0.241 -4.266 67 1HB CYS 8 2HB CYS 8 2.392 1.590 -2.240 68 2HB CYS 8 1HB CYS 8 1.381 1.902 -3.624 69 H PHE 9 H PHE 9 4.521 -0.127 -2.638 70 HA PHE 9 HA PHE 9 4.198 -2.763 -1.334 71 1HB PHE 9 2HB PHE 9 6.302 -2.316 -2.567 72 2HB PHE 9 1HB PHE 9 6.605 -0.897 -1.579 73 HD1 PHE 9 HD1 PHE 9 5.591 -4.442 -0.782 74 HD2 PHE 9 HD2 PHE 9 8.365 -1.286 -0.098 75 HE1 PHE 9 HE1 PHE 9 6.759 -5.825 0.868 76 HE2 PHE 9 HE2 PHE 9 9.533 -2.672 1.550 77 HZ PHE 9 HZ PHE 9 8.735 -4.944 2.039 78 H GLN 10 H GLN 10 4.498 -3.083 0.813 79 HA GLN 10 HA GLN 10 3.138 -1.597 2.653 80 1HB GLN 10 2HB GLN 10 5.580 -3.321 3.220 81 2HB GLN 10 1HB GLN 10 4.324 -2.930 4.377 82 1HG GLN 10 2HG GLN 10 2.940 -3.990 2.105 83 2HG GLN 10 1HG GLN 10 4.365 -4.997 2.278 84 1HE2 GLN 10 2HE2 GLN 10 1.364 -5.233 5.001 85 2HE2 GLN 10 1HE2 GLN 10 1.317 -4.086 3.750 86 H HIS 11 H HIS 11 6.533 -1.248 1.865 87 HA HIS 11 HA HIS 11 6.921 0.899 3.866 88 1HB HIS 11 2HB HIS 11 8.822 -0.406 1.870 89 2HB HIS 11 1HB HIS 11 9.287 0.909 2.931 90 HD1 HIS 11 HD1 HIS 11 10.406 -0.004 4.921 91 HD2 HIS 11 HD2 HIS 11 7.510 -2.599 3.695 92 HE1 HIS 11 HE1 HIS 11 10.457 -1.898 6.500 93 H LEU 12 H LEU 12 6.811 0.444 0.392 94 HA LEU 12 HA LEU 12 7.180 3.335 -0.147 95 1HB LEU 12 2HB LEU 12 6.617 1.111 -2.152 96 2HB LEU 12 1HB LEU 12 7.286 2.686 -2.488 97 HG LEU 12 HG LEU 12 8.721 0.663 -0.702 98 1HD1 LEU 12 3HD1 LEU 12 8.415 -0.247 -3.016 99 2HD1 LEU 12 2HD1 LEU 12 9.159 1.204 -3.668 100 3HD1 LEU 12 1HD1 LEU 12 10.097 0.106 -2.667 101 1HD2 LEU 12 1HD2 LEU 12 9.585 3.242 -2.068 102 2HD2 LEU 12 3HD2 LEU 12 9.519 2.923 -0.341 103 3HD2 LEU 12 2HD2 LEU 12 10.705 2.103 -1.338 104 H ASP 13 H ASP 13 5.107 3.328 1.294 105 HA ASP 13 HA ASP 13 2.621 2.931 -0.207 106 1HB ASP 13 2HB ASP 13 1.717 4.250 1.938 107 2HB ASP 13 1HB ASP 13 2.197 2.576 2.082 108 H ASP 14 H ASP 14 2.543 4.194 -1.873 109 HA ASP 14 HA ASP 14 3.175 7.063 -1.803 110 1HB ASP 14 2HB ASP 14 2.439 6.786 -4.294 111 2HB ASP 14 1HB ASP 14 3.928 6.012 -3.790 112 H CYS 15 H CYS 15 0.531 5.111 -1.209 113 HA CYS 15 HA CYS 15 -1.704 6.342 -2.305 114 1HB CYS 15 2HB CYS 15 -1.629 5.401 0.509 115 2HB CYS 15 1HB CYS 15 -2.904 5.141 -0.663 116 H CYS 16 H CYS 16 -3.182 7.872 -1.536 117 HA CYS 16 HA CYS 16 -2.034 10.252 -0.442 118 1HB CYS 16 2HB CYS 16 -4.309 9.742 -1.823 119 2HB CYS 16 1HB CYS 16 -5.001 9.737 -0.228 120 H SER 17 H SER 17 -3.961 7.657 0.882 121 HA SER 17 HA SER 17 -4.054 8.675 3.592 122 1HB SER 17 2HB SER 17 -5.160 6.493 4.027 123 2HB SER 17 1HB SER 17 -5.820 7.157 2.532 124 HG SER 17 HG SER 17 -4.986 4.912 2.497 125 H ARG 18 H ARG 18 -1.742 7.218 1.712 126 HA ARG 18 HA ARG 18 0.340 6.307 2.049 127 1HB ARG 18 2HB ARG 18 -0.091 8.187 4.212 128 2HB ARG 18 1HB ARG 18 0.671 6.796 4.936 129 1HG ARG 18 2HG ARG 18 2.654 7.594 4.206 130 2HG ARG 18 1HG ARG 18 2.175 7.191 2.574 131 1HD ARG 18 2HD ARG 18 1.589 9.855 3.935 132 2HD ARG 18 1HD ARG 18 2.864 9.568 2.754 133 HE ARG 18 HE ARG 18 -0.052 9.254 2.126 134 1HH1 ARG 18 1HH2 ARG 18 2.074 8.175 0.265 135 2HH1 ARG 18 2HH2 ARG 18 2.217 9.463 -0.886 136 1HH2 ARG 18 2HH1 ARG 18 0.573 11.759 1.195 137 2HH2 ARG 18 1HH1 ARG 18 1.341 11.551 -0.344 138 H LYS 19 H LYS 19 -2.219 4.857 2.762 139 HA LYS 19 HA LYS 19 -1.131 2.691 4.477 140 1HB LYS 19 2HB LYS 19 -3.914 3.665 3.844 141 2HB LYS 19 1HB LYS 19 -3.625 2.087 4.531 142 1HG LYS 19 2HG LYS 19 -2.784 2.967 6.561 143 2HG LYS 19 1HG LYS 19 -2.353 4.505 5.833 144 1HD LYS 19 2HD LYS 19 -4.813 5.000 5.537 145 2HD LYS 19 1HD LYS 19 -5.184 3.516 6.393 146 1HE LYS 19 2HE LYS 19 -3.437 5.702 7.605 147 2HE LYS 19 1HE LYS 19 -5.180 5.650 7.819 148 1HZ LYS 19 1HZ LYS 19 -4.852 3.324 8.640 149 2HZ LYS 19 3HZ LYS 19 -3.188 3.657 8.693 150 3HZ LYS 19 2HZ LYS 19 -4.264 4.558 9.647 151 H CYS 20 H CYS 20 -0.477 0.933 3.464 152 HA CYS 20 HA CYS 20 -1.777 0.085 0.940 153 1HB CYS 20 2HB CYS 20 1.121 0.007 1.849 154 2HB CYS 20 1HB CYS 20 0.529 -0.878 0.483 155 H ASN 21 H ASN 21 -2.932 -1.652 1.437 156 HA ASN 21 HA ASN 21 -2.651 -3.186 3.829 157 1HB ASN 21 2HB ASN 21 -4.466 -4.547 2.904 158 2HB ASN 21 1HB ASN 21 -4.771 -2.853 2.581 159 1HD2 ASN 21 2HD2 ASN 21 -5.546 -4.353 -0.595 160 2HD2 ASN 21 1HD2 ASN 21 -6.225 -4.084 0.937 161 H ARG 22 H ARG 22 -2.906 -5.687 3.478 162 HA ARG 22 HA ARG 22 -0.335 -6.725 3.110 163 1HB ARG 22 2HB ARG 22 -1.588 -8.962 3.363 164 2HB ARG 22 1HB ARG 22 -1.736 -7.813 4.673 165 1HG ARG 22 2HG ARG 22 -3.968 -7.400 4.281 166 2HG ARG 22 1HG ARG 22 -3.824 -7.547 2.543 167 1HD ARG 22 2HD ARG 22 -3.548 -10.074 2.887 168 2HD ARG 22 1HD ARG 22 -3.987 -9.804 4.573 169 HE ARG 22 HE ARG 22 -5.771 -9.034 2.288 170 1HH1 ARG 22 2HH1 ARG 22 -6.221 -8.281 5.239 171 2HH1 ARG 22 1HH1 ARG 22 -7.415 -9.452 5.689 172 1HH2 ARG 22 1HH2 ARG 22 -6.814 -11.445 2.871 173 2HH2 ARG 22 2HH2 ARG 22 -7.759 -11.289 4.314 174 H PHE 23 H PHE 23 -2.834 -6.202 0.872 175 HA PHE 23 HA PHE 23 -1.898 -8.205 -1.093 176 1HB PHE 23 2HB PHE 23 -4.220 -6.275 -0.857 177 2HB PHE 23 1HB PHE 23 -3.772 -6.824 -2.453 178 HD1 PHE 23 HD1 PHE 23 -3.655 -8.819 0.740 179 HD2 PHE 23 HD2 PHE 23 -5.575 -8.228 -3.024 180 HE1 PHE 23 HE1 PHE 23 -4.942 -10.872 1.070 181 HE2 PHE 23 HE2 PHE 23 -6.858 -10.288 -2.682 182 HZ PHE 23 HZ PHE 23 -6.546 -11.614 -0.635 183 H ASN 24 H ASN 24 -0.527 -5.650 -0.021 184 HA ASN 24 HA ASN 24 0.849 -3.953 -0.756 185 1HB ASN 24 2HB ASN 24 1.134 -6.003 -3.022 186 2HB ASN 24 1HB ASN 24 2.198 -4.613 -2.843 187 1HD2 ASN 24 2HD2 ASN 24 2.392 -7.624 -0.048 188 2HD2 ASN 24 1HD2 ASN 24 0.968 -7.422 -0.951 189 H LYS 25 H LYS 25 -1.808 -3.618 -1.244 190 HA LYS 25 HA LYS 25 -1.847 -1.860 -3.646 191 1HB LYS 25 2HB LYS 25 -3.810 -3.904 -2.608 192 2HB LYS 25 1HB LYS 25 -4.461 -2.438 -3.298 193 1HG LYS 25 2HG LYS 25 -2.769 -2.972 -5.287 194 2HG LYS 25 1HG LYS 25 -2.763 -4.588 -4.614 195 1HD LYS 25 2HD LYS 25 -4.953 -5.023 -5.225 196 2HD LYS 25 1HD LYS 25 -5.472 -3.364 -5.026 197 1HE LYS 25 2HE LYS 25 -3.662 -3.226 -7.198 198 2HE LYS 25 1HE LYS 25 -4.531 -4.728 -7.451 199 1HZ LYS 25 3HZ LYS 25 -5.923 -2.208 -6.806 200 2HZ LYS 25 2HZ LYS 25 -5.530 -2.646 -8.399 201 3HZ LYS 25 1HZ LYS 25 -6.564 -3.631 -7.478 202 H CYS 26 H CYS 26 -3.031 0.098 -3.316 203 HA CYS 26 HA CYS 26 -2.706 1.144 -0.669 204 1HB CYS 26 2HB CYS 26 -3.943 2.194 -3.188 205 2HB CYS 26 1HB CYS 26 -3.963 3.117 -1.721 206 H VAL 27 H VAL 27 -4.354 2.436 0.309 207 HA VAL 27 HA VAL 27 -7.028 1.106 0.467 208 HB VAL 27 HB VAL 27 -5.377 2.170 2.805 209 1HG1 VAL 27 3HG1 VAL 27 -8.055 0.717 2.625 210 2HG1 VAL 27 2HG1 VAL 27 -7.139 0.791 4.122 211 3HG1 VAL 27 1HG1 VAL 27 -7.725 2.268 3.382 212 1HG2 VAL 27 2HG2 VAL 27 -5.873 -0.711 1.890 213 2HG2 VAL 27 1HG2 VAL 27 -4.322 0.110 1.901 214 3HG2 VAL 27 3HG2 VAL 27 -5.115 -0.278 3.413 No H/Q in entry = 214 Start of MODEL 20 1 1H CYS 1 2H CYS 1 0.971 11.308 -5.222 2 2H CYS 1 1H CYS 1 -0.274 12.464 -5.242 3 3H CYS 1 3H CYS 1 0.994 12.600 -4.118 4 HA CYS 1 HA CYS 1 0.295 10.547 -3.054 5 1HB CYS 1 2HB CYS 1 -1.157 11.759 -1.759 6 2HB CYS 1 1HB CYS 1 -0.792 13.068 -2.828 7 H ARG 2 H ARG 2 -0.154 8.635 -3.897 8 HA ARG 2 HA ARG 2 -1.789 8.205 -6.242 9 1HB ARG 2 2HB ARG 2 -0.411 6.370 -4.258 10 2HB ARG 2 1HB ARG 2 -1.407 5.716 -5.539 11 1HG ARG 2 2HG ARG 2 0.600 7.801 -6.343 12 2HG ARG 2 1HG ARG 2 1.255 6.264 -5.817 13 1HD ARG 2 2HD ARG 2 -0.189 5.094 -7.487 14 2HD ARG 2 1HD ARG 2 -0.794 6.668 -8.023 15 HE ARG 2 HE ARG 2 2.133 6.264 -8.090 16 1HH1 ARG 2 1HH2 ARG 2 1.845 8.299 -9.729 17 2HH1 ARG 2 2HH2 ARG 2 1.321 7.729 -11.279 18 1HH2 ARG 2 1HH1 ARG 2 0.401 5.607 -11.441 19 2HH2 ARG 2 2HH1 ARG 2 0.256 4.644 -10.007 20 H ILE 3 H ILE 3 -3.603 6.746 -6.374 21 HA ILE 3 HA ILE 3 -5.619 7.434 -4.391 22 HB ILE 3 HB ILE 3 -7.084 6.069 -6.008 23 1HG1 ILE 3 2HG1 ILE 3 -4.808 6.273 -7.971 24 2HG1 ILE 3 1HG1 ILE 3 -4.871 4.884 -6.899 25 1HG2 ILE 3 1HG2 ILE 3 -6.905 8.547 -6.088 26 2HG2 ILE 3 3HG2 ILE 3 -5.488 8.419 -7.117 27 3HG2 ILE 3 2HG2 ILE 3 -7.053 7.887 -7.706 28 1HD1 ILE 3 1HD1 ILE 3 -7.185 5.748 -8.652 29 2HD1 ILE 3 3HD1 ILE 3 -6.015 4.513 -9.089 30 3HD1 ILE 3 2HD1 ILE 3 -7.066 4.271 -7.700 31 HA HYP 4 HA HYP 4 -5.964 3.583 -2.069 32 1HB HYP 4 1HB HYP 4 -8.123 3.414 -1.307 33 2HB HYP 4 2HB HYP 4 -8.801 3.427 -2.923 34 1HD HYP 4 1HD1 HYP 4 -6.885 6.966 -2.642 35 2HD HYP 4 2HD1 HYP 4 -7.876 6.463 -4.022 36 HOD HYP 4 HD2 HYP 4 -7.885 6.733 -0.834 37 HG HYP 4 HG HYP 4 -9.393 5.670 -2.345 38 H ASN 5 H ASN 5 -6.230 1.417 -2.335 39 HA ASN 5 HA ASN 5 -5.996 -0.633 -3.307 40 1HB ASN 5 2HB ASN 5 -7.795 -1.260 -4.545 41 2HB ASN 5 1HB ASN 5 -8.373 0.334 -4.159 42 1HD2 ASN 5 1HD2 ASN 5 -6.275 1.366 -6.412 43 2HD2 ASN 5 2HD2 ASN 5 -7.170 1.065 -7.817 44 H GLN 6 H GLN 6 -4.573 1.952 -4.841 45 HA GLN 6 HA GLN 6 -3.646 0.577 -7.225 46 1HB GLN 6 2HB GLN 6 -3.446 3.251 -6.098 47 2HB GLN 6 1HB GLN 6 -1.854 2.730 -6.598 48 1HG GLN 6 2HG GLN 6 -2.964 2.004 -8.828 49 2HG GLN 6 1HG GLN 6 -4.370 2.916 -8.297 50 1HE2 GLN 6 2HE2 GLN 6 -1.623 4.941 -10.183 51 2HE2 GLN 6 1HE2 GLN 6 -2.032 3.308 -10.400 52 H LYS 7 H LYS 7 -1.786 -0.412 -7.636 53 HA LYS 7 HA LYS 7 -0.480 -1.925 -5.694 54 1HB LYS 7 2HB LYS 7 -0.418 -2.496 -8.075 55 2HB LYS 7 1HB LYS 7 0.477 -1.042 -8.449 56 1HG LYS 7 2HG LYS 7 1.909 -3.102 -8.401 57 2HG LYS 7 1HG LYS 7 2.461 -1.872 -7.287 58 1HD LYS 7 2HD LYS 7 1.748 -3.044 -5.395 59 2HD LYS 7 1HD LYS 7 0.555 -3.996 -6.267 60 1HE LYS 7 2HE LYS 7 2.241 -5.578 -5.911 61 2HE LYS 7 1HE LYS 7 2.729 -4.977 -7.488 62 1HZ LYS 7 1HZ LYS 7 3.737 -3.938 -4.902 63 2HZ LYS 7 3HZ LYS 7 4.543 -5.074 -5.873 64 3HZ LYS 7 2HZ LYS 7 4.273 -3.501 -6.453 65 H CYS 8 H CYS 8 0.500 -1.128 -4.010 66 HA CYS 8 HA CYS 8 2.789 0.744 -4.336 67 1HB CYS 8 2HB CYS 8 2.064 1.951 -2.326 68 2HB CYS 8 1HB CYS 8 0.896 2.063 -3.609 69 H PHE 9 H PHE 9 4.472 0.348 -3.003 70 HA PHE 9 HA PHE 9 4.481 -2.267 -1.625 71 1HB PHE 9 2HB PHE 9 6.621 -0.289 -2.445 72 2HB PHE 9 1HB PHE 9 7.000 -1.597 -1.340 73 HD1 PHE 9 HD1 PHE 9 6.794 -3.966 -2.117 74 HD2 PHE 9 HD2 PHE 9 6.195 -0.698 -4.789 75 HE1 PHE 9 HE1 PHE 9 7.042 -5.480 -4.030 76 HE2 PHE 9 HE2 PHE 9 6.443 -2.217 -6.698 77 HZ PHE 9 HZ PHE 9 6.868 -4.610 -6.323 78 H GLN 10 H GLN 10 4.471 -2.512 0.479 79 HA GLN 10 HA GLN 10 3.625 -0.614 2.296 80 1HB GLN 10 2HB GLN 10 4.295 -2.259 4.046 81 2HB GLN 10 1HB GLN 10 3.469 -3.023 2.707 82 1HG GLN 10 2HG GLN 10 6.518 -2.927 2.743 83 2HG GLN 10 1HG GLN 10 5.649 -4.141 3.653 84 1HE2 GLN 10 2HE2 GLN 10 4.510 -5.896 0.758 85 2HE2 GLN 10 1HE2 GLN 10 4.160 -5.587 2.390 86 H HIS 11 H HIS 11 6.832 -1.303 1.258 87 HA HIS 11 HA HIS 11 8.299 -0.025 3.380 88 1HB HIS 11 2HB HIS 11 9.236 -0.349 0.500 89 2HB HIS 11 1HB HIS 11 10.229 -0.305 1.951 90 HD1 HIS 11 HD1 HIS 11 9.612 -2.444 3.608 91 HD2 HIS 11 HD2 HIS 11 8.605 -2.878 -0.324 92 HE1 HIS 11 HE1 HIS 11 9.293 -4.862 3.235 93 H LEU 12 H LEU 12 7.104 1.031 0.266 94 HA LEU 12 HA LEU 12 7.596 3.892 1.005 95 1HB LEU 12 2HB LEU 12 7.883 4.286 -1.481 96 2HB LEU 12 1HB LEU 12 9.165 3.348 -0.762 97 HG LEU 12 HG LEU 12 7.020 1.565 -1.686 98 1HD1 LEU 12 1HD1 LEU 12 6.577 3.364 -3.346 99 2HD1 LEU 12 3HD1 LEU 12 8.267 3.346 -3.818 100 3HD1 LEU 12 2HD1 LEU 12 7.254 1.943 -4.118 101 1HD2 LEU 12 3HD2 LEU 12 9.440 0.964 -1.220 102 2HD2 LEU 12 2HD2 LEU 12 8.869 0.414 -2.784 103 3HD2 LEU 12 1HD2 LEU 12 9.890 1.840 -2.672 104 H ASP 13 H ASP 13 5.528 3.689 1.949 105 HA ASP 13 HA ASP 13 3.169 3.144 0.391 106 1HB ASP 13 2HB ASP 13 3.564 3.330 3.046 107 2HB ASP 13 1HB ASP 13 3.064 4.993 2.804 108 H ASP 14 H ASP 14 3.184 4.241 -1.426 109 HA ASP 14 HA ASP 14 3.599 7.140 -1.582 110 1HB ASP 14 2HB ASP 14 3.186 6.616 -4.073 111 2HB ASP 14 1HB ASP 14 4.599 5.880 -3.345 112 H CYS 15 H CYS 15 1.003 5.293 -0.757 113 HA CYS 15 HA CYS 15 -1.113 6.437 -2.306 114 1HB CYS 15 2HB CYS 15 -1.388 5.401 0.497 115 2HB CYS 15 1HB CYS 15 -2.542 5.340 -0.803 116 H CYS 16 H CYS 16 -2.720 7.851 -1.635 117 HA CYS 16 HA CYS 16 -1.744 10.281 -0.380 118 1HB CYS 16 2HB CYS 16 -3.681 9.785 -2.224 119 2HB CYS 16 1HB CYS 16 -4.689 9.779 -0.806 120 H SER 17 H SER 17 -3.666 7.530 0.425 121 HA SER 17 HA SER 17 -4.469 8.416 3.078 122 1HB SER 17 2HB SER 17 -5.453 6.096 3.152 123 2HB SER 17 1HB SER 17 -5.903 6.894 1.639 124 HG SER 17 HG SER 17 -3.774 5.087 2.108 125 H ARG 18 H ARG 18 -1.639 7.497 1.810 126 HA ARG 18 HA ARG 18 0.319 6.471 2.491 127 1HB ARG 18 2HB ARG 18 1.130 7.342 4.619 128 2HB ARG 18 1HB ARG 18 0.202 8.587 3.822 129 1HG ARG 18 2HG ARG 18 -1.605 8.423 5.342 130 2HG ARG 18 1HG ARG 18 -1.146 6.816 5.882 131 1HD ARG 18 2HD ARG 18 0.916 7.794 6.941 132 2HD ARG 18 1HD ARG 18 0.346 9.397 6.479 133 HE ARG 18 HE ARG 18 -1.269 9.276 8.191 134 1HH1 ARG 18 2HH1 ARG 18 -2.557 6.736 7.528 135 2HH1 ARG 18 1HH1 ARG 18 -2.130 5.710 8.858 136 1HH2 ARG 18 1HH2 ARG 18 0.488 7.787 9.895 137 2HH2 ARG 18 2HH2 ARG 18 -0.367 6.318 10.229 138 H LYS 19 H LYS 19 -1.984 4.756 2.608 139 HA LYS 19 HA LYS 19 -1.044 2.741 4.574 140 1HB LYS 19 2HB LYS 19 -3.768 3.901 4.101 141 2HB LYS 19 1HB LYS 19 -3.663 2.195 4.455 142 1HG LYS 19 2HG LYS 19 -2.689 2.572 6.600 143 2HG LYS 19 1HG LYS 19 -2.209 4.209 6.200 144 1HD LYS 19 2HD LYS 19 -4.282 5.104 6.642 145 2HD LYS 19 1HD LYS 19 -5.150 3.706 6.042 146 1HE LYS 19 2HE LYS 19 -5.444 3.915 8.483 147 2HE LYS 19 1HE LYS 19 -4.559 2.444 8.109 148 1HZ LYS 19 1HZ LYS 19 -2.493 3.798 8.485 149 2HZ LYS 19 3HZ LYS 19 -3.497 4.998 9.143 150 3HZ LYS 19 2HZ LYS 19 -3.431 3.459 9.860 151 H CYS 20 H CYS 20 -0.517 0.893 3.609 152 HA CYS 20 HA CYS 20 -1.766 0.141 1.034 153 1HB CYS 20 2HB CYS 20 1.116 0.053 1.967 154 2HB CYS 20 1HB CYS 20 0.545 -0.891 0.633 155 H ASN 21 H ASN 21 -2.925 -1.636 1.398 156 HA ASN 21 HA ASN 21 -2.768 -3.234 3.757 157 1HB ASN 21 2HB ASN 21 -4.504 -4.602 2.679 158 2HB ASN 21 1HB ASN 21 -4.830 -2.906 2.418 159 1HD2 ASN 21 2HD2 ASN 21 -5.394 -4.172 -0.877 160 2HD2 ASN 21 1HD2 ASN 21 -6.171 -3.903 0.608 161 H ARG 22 H ARG 22 -3.000 -5.742 3.283 162 HA ARG 22 HA ARG 22 -0.396 -6.737 3.041 163 1HB ARG 22 2HB ARG 22 -1.444 -8.916 3.423 164 2HB ARG 22 1HB ARG 22 -2.158 -7.706 4.464 165 1HG ARG 22 2HG ARG 22 -4.082 -7.471 2.861 166 2HG ARG 22 1HG ARG 22 -3.367 -8.708 1.843 167 1HD ARG 22 2HD ARG 22 -5.064 -9.760 3.239 168 2HD ARG 22 1HD ARG 22 -3.486 -10.320 3.781 169 HE ARG 22 HE ARG 22 -4.882 -8.049 5.146 170 1HH1 ARG 22 1HH2 ARG 22 -2.185 -8.923 6.050 171 2HH1 ARG 22 2HH2 ARG 22 -2.557 -10.004 7.352 172 1HH2 ARG 22 2HH1 ARG 22 -5.901 -10.360 6.369 173 2HH2 ARG 22 1HH1 ARG 22 -4.713 -10.839 7.537 174 H PHE 23 H PHE 23 -2.816 -6.235 0.666 175 HA PHE 23 HA PHE 23 -1.703 -8.153 -1.256 176 1HB PHE 23 2HB PHE 23 -3.955 -6.111 -1.452 177 2HB PHE 23 1HB PHE 23 -3.575 -7.323 -2.654 178 HD1 PHE 23 HD2 PHE 23 -3.540 -9.818 -1.832 179 HD2 PHE 23 HD1 PHE 23 -5.476 -6.659 0.277 180 HE1 PHE 23 HE2 PHE 23 -4.922 -11.456 -0.640 181 HE2 PHE 23 HE1 PHE 23 -6.855 -8.300 1.465 182 HZ PHE 23 HZ PHE 23 -6.582 -10.702 1.011 183 H ASN 24 H ASN 24 -0.361 -5.626 -0.165 184 HA ASN 24 HA ASN 24 0.996 -3.895 -0.907 185 1HB ASN 24 2HB ASN 24 1.221 -5.688 -3.394 186 2HB ASN 24 1HB ASN 24 2.391 -4.483 -2.880 187 1HD2 ASN 24 2HD2 ASN 24 2.180 -8.073 -0.916 188 2HD2 ASN 24 1HD2 ASN 24 0.908 -7.584 -1.926 189 H LYS 25 H LYS 25 -1.675 -3.538 -1.269 190 HA LYS 25 HA LYS 25 -1.834 -1.768 -3.659 191 1HB LYS 25 2HB LYS 25 -3.730 -3.798 -2.514 192 2HB LYS 25 1HB LYS 25 -4.429 -2.339 -3.166 193 1HG LYS 25 2HG LYS 25 -3.055 -2.802 -5.302 194 2HG LYS 25 1HG LYS 25 -2.654 -4.359 -4.612 195 1HD LYS 25 2HD LYS 25 -5.553 -3.445 -4.886 196 2HD LYS 25 1HD LYS 25 -4.711 -4.208 -6.217 197 1HE LYS 25 2HE LYS 25 -5.647 -6.090 -5.221 198 2HE LYS 25 1HE LYS 25 -4.119 -6.057 -4.361 199 1HZ LYS 25 3HZ LYS 25 -5.425 -4.561 -2.724 200 2HZ LYS 25 2HZ LYS 25 -6.790 -5.267 -3.443 201 3HZ LYS 25 1HZ LYS 25 -5.632 -6.245 -2.678 202 H CYS 26 H CYS 26 -3.085 0.195 -3.239 203 HA CYS 26 HA CYS 26 -2.596 1.223 -0.594 204 1HB CYS 26 2HB CYS 26 -4.066 2.278 -2.999 205 2HB CYS 26 1HB CYS 26 -3.930 3.183 -1.525 206 H VAL 27 H VAL 27 -4.390 2.434 0.504 207 HA VAL 27 HA VAL 27 -6.872 0.768 0.699 208 HB VAL 27 HB VAL 27 -5.379 2.106 3.002 209 1HG1 VAL 27 2HG1 VAL 27 -7.779 0.222 2.882 210 2HG1 VAL 27 1HG1 VAL 27 -6.879 0.518 4.361 211 3HG1 VAL 27 3HG1 VAL 27 -7.727 1.835 3.577 212 1HG2 VAL 27 2HG2 VAL 27 -5.409 -0.799 2.056 213 2HG2 VAL 27 1HG2 VAL 27 -4.005 0.244 2.157 214 3HG2 VAL 27 3HG2 VAL 27 -4.787 -0.306 3.623 No H/Q in entry = 214
Contact the webmaster for help, if required. Wednesday, April 24, 2024 3:47:19 AM GMT (wattos1)