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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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8343 |
1m2s ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PHE 1 1H PHE 1 0.917 -0.966 10.853 2 HA PHE 1 HA PHE 1 0.543 -3.533 10.961 3 2HB PHE 1 2HB PHE 1 -1.212 -3.993 8.929 4 HD1 PHE 1 HD1 PHE 1 -3.335 -2.323 11.271 5 HD2 PHE 1 HD2 PHE 1 -0.719 -5.732 10.891 6 HE1 PHE 1 HE1 PHE 1 -4.368 -3.349 13.276 7 HE2 PHE 1 HE2 PHE 1 -1.698 -6.703 12.945 8 HZ PHE 1 HZ PHE 1 -3.524 -5.519 14.142 9 H GLY 2 H GLY 2 -0.176 -2.746 7.685 10 1HA GLY 2 1HA GLY 2 2.600 -3.285 6.830 11 2HA GLY 2 2HA GLY 2 1.183 -2.986 5.843 12 H LEU 3 H LEU 3 4.075 -1.516 6.731 13 HA LEU 3 HA LEU 3 3.030 0.806 5.416 14 2HB LEU 3 2HB LEU 3 2.876 1.524 7.823 15 HG LEU 3 HG LEU 3 5.901 0.946 7.777 16 1HD1 LEU 3 1HD1 LEU 3 4.321 2.832 9.639 17 2HD1 LEU 3 2HD1 LEU 3 6.023 2.357 9.830 18 3HD1 LEU 3 3HD1 LEU 3 5.528 3.312 8.425 19 1HD2 LEU 3 1HD2 LEU 3 5.375 0.054 10.090 20 2HD2 LEU 3 2HD2 LEU 3 3.645 0.322 9.804 21 3HD2 LEU 3 3HD2 LEU 3 4.552 -0.852 8.825 22 H ILE 4 H ILE 4 4.223 1.447 3.798 23 HA ILE 4 HA ILE 4 6.893 0.218 3.537 24 HB ILE 4 HB ILE 4 6.040 -0.721 1.581 25 2HG1 ILE 4 2HG1 ILE 4 4.589 1.738 1.125 26 1HG2 ILE 4 1HG2 ILE 4 4.830 -1.736 3.498 27 2HG2 ILE 4 2HG2 ILE 4 3.463 -0.618 3.254 28 3HG2 ILE 4 3HG2 ILE 4 3.901 -1.794 1.999 29 1HD1 ILE 4 1HD1 ILE 4 4.775 -0.797 -0.508 30 2HD1 ILE 4 2HD1 ILE 4 4.435 0.862 -1.079 31 3HD1 ILE 4 3HD1 ILE 4 6.048 0.446 -0.425 32 H ASP 5 H ASP 5 8.076 1.344 1.657 33 HA ASP 5 HA ASP 5 6.927 3.969 0.951 34 2HB ASP 5 2HB ASP 5 9.880 3.727 1.564 35 H VAL 6 H VAL 6 6.123 2.944 -0.716 36 HA VAL 6 HA VAL 6 8.004 3.146 -2.952 37 HB VAL 6 HB VAL 6 5.915 0.922 -2.872 38 1HG1 VAL 6 1HG1 VAL 6 6.805 0.346 -5.121 39 2HG1 VAL 6 2HG1 VAL 6 5.995 1.915 -5.107 40 3HG1 VAL 6 3HG1 VAL 6 7.773 1.836 -5.105 41 1HG2 VAL 6 1HG2 VAL 6 7.875 -0.577 -3.193 42 2HG2 VAL 6 2HG2 VAL 6 8.965 0.819 -3.057 43 3HG2 VAL 6 3HG2 VAL 6 8.003 0.296 -1.663 44 H LYS 7 H LYS 7 7.229 4.429 -4.444 45 HA LYS 7 HA LYS 7 5.408 6.394 -4.166 46 2HB LYS 7 2HB LYS 7 5.405 6.481 -6.687 47 2HG LYS 7 2HG LYS 7 7.525 6.895 -4.823 48 2HD LYS 7 2HD LYS 7 8.498 5.843 -7.518 49 2HE LYS 7 2HE LYS 7 9.973 6.945 -5.064 50 1HZ LYS 7 1HZ LYS 7 11.234 5.240 -6.176 51 2HZ LYS 7 2HZ LYS 7 11.068 5.999 -7.630 52 3HZ LYS 7 3HZ LYS 7 11.918 6.712 -6.418 53 H CYS 8 H CYS 8 3.328 6.240 -3.542 54 HA CYS 8 HA CYS 8 1.398 4.278 -4.625 55 2HB CYS 8 2HB CYS 8 1.276 6.054 -2.566 56 H PHE 9 H PHE 9 0.475 4.410 -6.601 57 HA PHE 9 HA PHE 9 0.299 7.094 -7.908 58 2HB PHE 9 2HB PHE 9 -1.002 4.786 -9.259 59 HD1 PHE 9 HD1 PHE 9 -1.759 6.962 -10.459 60 HD2 PHE 9 HD2 PHE 9 2.343 5.621 -10.375 61 HE1 PHE 9 HE1 PHE 9 -1.250 8.381 -12.427 62 HE2 PHE 9 HE2 PHE 9 2.841 7.034 -12.348 63 HZ PHE 9 HZ PHE 9 1.047 8.414 -13.379 64 H ALA 10 H ALA 10 -1.304 5.022 -5.719 65 HA ALA 10 HA ALA 10 -3.578 6.505 -5.311 66 1HB ALA 10 1HB ALA 10 -5.341 5.003 -6.324 67 2HB ALA 10 2HB ALA 10 -4.442 5.893 -7.550 68 3HB ALA 10 3HB ALA 10 -4.066 4.184 -7.249 69 H SER 11 H SER 11 -4.927 5.419 -3.733 70 HA SER 11 HA SER 11 -3.709 3.564 -1.941 71 2HB SER 11 2HB SER 11 -6.144 3.168 -1.243 72 HG SER 11 HG SER 11 -5.069 5.799 -1.550 73 H SER 12 H SER 12 -5.784 2.981 -4.837 74 HA SER 12 HA SER 12 -6.225 0.262 -4.273 75 2HB SER 12 2HB SER 12 -7.711 1.213 -5.776 76 HG SER 12 HG SER 12 -5.700 2.310 -7.415 77 H GLU 13 H GLU 13 -3.325 1.885 -5.372 78 HA GLU 13 HA GLU 13 -2.215 -0.406 -6.778 79 2HB GLU 13 2HB GLU 13 -0.649 1.571 -5.270 80 2HG GLU 13 2HG GLU 13 0.819 1.557 -7.325 81 H CYS 14 H CYS 14 -1.899 1.080 -3.490 82 HA CYS 14 HA CYS 14 -0.056 -0.454 -2.222 83 2HB CYS 14 2HB CYS 14 -1.140 0.124 -0.242 84 H TRP 15 H TRP 15 -3.236 -1.173 -3.284 85 HA TRP 15 HA TRP 15 -3.705 -3.466 -1.516 86 2HB TRP 15 2HB TRP 15 -5.504 -4.052 -3.065 87 HD1 TRP 15 HD1 TRP 15 -4.766 -1.181 -0.987 88 HE1 TRP 15 HE1 TRP 15 -6.846 0.152 -0.386 89 HE3 TRP 15 HE3 TRP 15 -7.918 -3.237 -4.359 90 HZ2 TRP 15 HZ2 TRP 15 -9.599 0.370 -1.365 91 HZ3 TRP 15 HZ3 TRP 15 -10.277 -2.411 -4.583 92 HH2 TRP 15 HH2 TRP 15 -11.115 -0.623 -3.077 93 H THR 16 H THR 16 -2.926 -3.229 -5.083 94 HA THR 16 HA THR 16 -2.139 -5.936 -5.349 95 HB THR 16 HB THR 16 -0.788 -4.677 -7.324 96 HG1 THR 16 HG1 THR 16 -1.162 -2.549 -6.856 97 1HG2 THR 16 1HG2 THR 16 -2.717 -6.212 -7.618 98 2HG2 THR 16 2HG2 THR 16 -3.829 -4.909 -7.125 99 3HG2 THR 16 3HG2 THR 16 -2.899 -4.767 -8.629 100 H ALA 17 H ALA 17 -0.279 -3.027 -4.192 101 HA ALA 17 HA ALA 17 2.208 -4.409 -4.276 102 1HB ALA 17 1HB ALA 17 1.975 -1.933 -3.951 103 2HB ALA 17 2HB ALA 17 1.363 -2.227 -2.311 104 3HB ALA 17 3HB ALA 17 3.021 -2.685 -2.732 105 H CYS 18 H CYS 18 -0.011 -3.985 -1.509 106 HA CYS 18 HA CYS 18 1.435 -5.563 0.324 107 2HB CYS 18 2HB CYS 18 -0.981 -5.728 1.299 108 H LYS 19 H LYS 19 -0.977 -6.339 -2.125 109 HA LYS 19 HA LYS 19 -1.291 -9.044 -1.401 110 2HB LYS 19 2HB LYS 19 -2.277 -9.073 -3.773 111 2HG LYS 19 2HG LYS 19 -3.546 -6.985 -2.453 112 2HD LYS 19 2HD LYS 19 -5.162 -8.832 -1.743 113 2HE LYS 19 2HE LYS 19 -4.365 -8.840 -4.712 114 1HZ LYS 19 1HZ LYS 19 -6.606 -9.538 -5.081 115 2HZ LYS 19 2HZ LYS 19 -5.825 -10.663 -4.175 116 3HZ LYS 19 3HZ LYS 19 -6.911 -9.646 -3.471 117 H LYS 20 H LYS 20 0.849 -7.452 -3.707 118 HA LYS 20 HA LYS 20 2.095 -9.772 -4.818 119 2HB LYS 20 2HB LYS 20 4.153 -8.202 -5.016 120 2HG LYS 20 2HG LYS 20 1.456 -7.666 -6.296 121 2HD LYS 20 2HD LYS 20 4.145 -6.282 -6.704 122 2HE LYS 20 2HE LYS 20 3.010 -5.200 -8.701 123 1HZ LYS 20 1HZ LYS 20 4.661 -6.894 -9.048 124 2HZ LYS 20 2HZ LYS 20 3.523 -8.083 -8.997 125 3HZ LYS 20 3HZ LYS 20 3.503 -6.973 -10.208 126 H VAL 21 H VAL 21 3.222 -7.819 -1.941 127 HA VAL 21 HA VAL 21 5.197 -9.710 -1.265 128 HB VAL 21 HB VAL 21 4.287 -8.529 1.144 129 1HG1 VAL 21 1HG1 VAL 21 6.419 -7.218 0.874 130 2HG1 VAL 21 2HG1 VAL 21 6.657 -8.916 0.398 131 3HG1 VAL 21 3HG1 VAL 21 6.410 -7.664 -0.853 132 1HG2 VAL 21 1HG2 VAL 21 4.361 -6.377 -0.973 133 2HG2 VAL 21 2HG2 VAL 21 2.920 -6.984 -0.106 134 3HG2 VAL 21 3HG2 VAL 21 4.212 -6.177 0.782 135 H THR 22 H THR 22 1.892 -9.377 0.124 136 HA THR 22 HA THR 22 2.326 -12.037 1.491 137 HB THR 22 HB THR 22 0.743 -11.206 3.177 138 HG1 THR 22 HG1 THR 22 0.967 -8.742 1.751 139 1HG2 THR 22 1HG2 THR 22 3.110 -9.317 2.878 140 2HG2 THR 22 2HG2 THR 22 2.231 -9.718 4.360 141 3HG2 THR 22 3HG2 THR 22 3.191 -10.964 3.539 142 H GLY 23 H GLY 23 -0.148 -9.862 0.299 143 1HA GLY 23 1HA GLY 23 -2.058 -11.107 -1.100 144 2HA GLY 23 2HA GLY 23 -2.106 -12.143 0.319 145 H SER 24 H SER 24 -1.321 -9.424 1.852 146 HA SER 24 HA SER 24 -4.083 -9.165 2.789 147 2HB SER 24 2HB SER 24 -2.386 -9.328 4.458 148 HG SER 24 HG SER 24 -0.582 -8.448 3.437 149 H GLY 25 H GLY 25 -4.588 -8.371 0.514 150 1HA GLY 25 1HA GLY 25 -3.578 -6.049 -0.573 151 2HA GLY 25 2HA GLY 25 -5.112 -6.732 -0.992 152 H GLN 26 H GLN 26 -5.455 -5.902 2.266 153 HA GLN 26 HA GLN 26 -7.326 -3.773 1.442 154 2HB GLN 26 2HB GLN 26 -8.184 -4.000 3.701 155 2HG GLN 26 2HG GLN 26 -7.667 -6.779 2.540 156 1HE2 GLN 26 1HE2 GLN 26 -7.890 -6.974 5.144 157 2HE2 GLN 26 2HE2 GLN 26 -9.546 -7.275 5.640 158 H GLY 27 H GLY 27 -6.242 -1.827 1.187 159 1HA GLY 27 1HA GLY 27 -4.588 -0.784 3.381 160 2HA GLY 27 2HA GLY 27 -3.753 -1.179 1.854 161 H LYS 28 H LYS 28 -3.314 1.232 2.269 162 HA LYS 28 HA LYS 28 -4.975 2.879 0.553 163 2HB LYS 28 2HB LYS 28 -4.712 3.336 3.574 164 2HG LYS 28 2HG LYS 28 -5.197 5.351 1.456 165 2HD LYS 28 2HD LYS 28 -6.857 6.549 2.978 166 2HE LYS 28 2HE LYS 28 -8.892 5.345 2.214 167 1HZ LYS 28 1HZ LYS 28 -7.701 6.702 0.613 168 2HZ LYS 28 2HZ LYS 28 -6.837 5.404 0.085 169 3HZ LYS 28 3HZ LYS 28 -8.467 5.443 -0.111 170 H CYS 29 H CYS 29 -3.838 4.668 -0.186 171 HA CYS 29 HA CYS 29 -0.920 4.468 0.314 172 2HB CYS 29 2HB CYS 29 -1.842 4.768 -2.229 173 H GLN 30 H GLN 30 0.233 6.353 0.892 174 HA GLN 30 HA GLN 30 -1.264 8.663 2.036 175 2HB GLN 30 2HB GLN 30 1.253 7.316 3.111 176 2HG GLN 30 2HG GLN 30 1.092 9.768 3.624 177 1HE2 GLN 30 1HE2 GLN 30 -0.574 11.305 3.371 178 2HE2 GLN 30 2HE2 GLN 30 -2.084 11.230 4.263 179 H ASN 31 H ASN 31 -0.644 10.306 0.620 180 HA ASN 31 HA ASN 31 0.696 11.758 -0.494 181 2HB ASN 31 2HB ASN 31 3.124 11.830 0.283 182 1HD2 ASN 31 1HD2 ASN 31 3.514 13.366 1.928 183 2HD2 ASN 31 2HD2 ASN 31 2.236 13.918 2.996 184 H ASN 32 H ASN 32 3.089 9.164 -0.311 185 HA ASN 32 HA ASN 32 2.700 8.063 -2.769 186 2HB ASN 32 2HB ASN 32 5.475 9.166 -3.034 187 1HD2 ASN 32 1HD2 ASN 32 2.151 9.950 -4.090 188 2HD2 ASN 32 2HD2 ASN 32 2.202 8.792 -5.324 189 H GLN 33 H GLN 33 2.639 7.220 -0.278 190 HA GLN 33 HA GLN 33 4.569 5.045 -0.329 191 2HB GLN 33 2HB GLN 33 4.571 5.234 2.225 192 2HG GLN 33 2HG GLN 33 6.408 6.151 0.590 193 1HE2 GLN 33 1HE2 GLN 33 8.055 7.974 1.276 194 2HE2 GLN 33 2HE2 GLN 33 7.450 9.623 1.002 195 H CYS 34 H CYS 34 3.424 3.380 1.509 196 HA CYS 34 HA CYS 34 0.542 3.531 1.247 197 2HB CYS 34 2HB CYS 34 1.468 1.079 -0.036 198 H ARG 35 H ARG 35 -0.607 1.839 2.220 199 HA ARG 35 HA ARG 35 0.950 0.316 4.235 200 2HB ARG 35 2HB ARG 35 -0.765 1.374 5.921 201 2HG ARG 35 2HG ARG 35 1.365 2.951 4.519 202 2HD ARG 35 2HD ARG 35 0.722 3.805 7.248 203 HE ARG 35 HE ARG 35 1.785 4.892 4.711 204 1HH1 ARG 35 1HH1 ARG 35 0.799 5.835 7.948 205 2HH1 ARG 35 2HH1 ARG 35 1.923 7.152 8.091 206 1HH2 ARG 35 1HH2 ARG 35 3.347 6.571 4.869 207 2HH2 ARG 35 2HH2 ARG 35 3.387 7.598 6.260 208 H CYS 36 H CYS 36 0.027 -1.644 4.741 209 HA CYS 36 HA CYS 36 -2.763 -2.162 3.836 210 2HB CYS 36 2HB CYS 36 -1.992 -3.858 2.894 211 H TYR 37 H TYR 37 -3.973 -3.588 5.269 212 HA TYR 37 HA TYR 37 -3.649 -2.962 8.169 213 2HB TYR 37 2HB TYR 37 -6.029 -3.583 6.390 214 HD1 TYR 37 HD1 TYR 37 -5.486 -2.044 9.790 215 HD2 TYR 37 HD2 TYR 37 -7.550 -5.024 7.450 216 HE1 TYR 37 HE1 TYR 37 -6.854 -2.646 11.762 217 HE2 TYR 37 HE2 TYR 37 -8.931 -5.605 9.410 218 HH TYR 37 HH TYR 37 -8.578 -3.955 12.569 Start of MODEL 2 1 1H PHE 1 1H PHE 1 1.614 -1.844 11.693 2 HA PHE 1 HA PHE 1 -0.335 -3.466 10.612 3 2HB PHE 1 2HB PHE 1 -1.674 -1.969 9.229 4 HD1 PHE 1 HD1 PHE 1 -3.450 -2.856 10.618 5 HD2 PHE 1 HD2 PHE 1 -0.948 0.314 12.026 6 HE1 PHE 1 HE1 PHE 1 -5.145 -2.324 12.381 7 HE2 PHE 1 HE2 PHE 1 -2.612 0.848 13.825 8 HZ PHE 1 HZ PHE 1 -4.718 -0.468 13.980 9 H GLY 2 H GLY 2 -0.235 -2.924 8.002 10 1HA GLY 2 1HA GLY 2 2.476 -2.842 7.121 11 2HA GLY 2 2HA GLY 2 1.046 -2.656 6.133 12 H LEU 3 H LEU 3 3.806 -1.041 7.282 13 HA LEU 3 HA LEU 3 2.761 1.234 5.834 14 2HB LEU 3 2HB LEU 3 2.710 2.017 8.192 15 HG LEU 3 HG LEU 3 5.741 1.437 8.077 16 1HD1 LEU 3 1HD1 LEU 3 4.177 3.292 9.981 17 2HD1 LEU 3 2HD1 LEU 3 5.894 2.857 10.111 18 3HD1 LEU 3 3HD1 LEU 3 5.327 3.797 8.724 19 1HD2 LEU 3 1HD2 LEU 3 3.533 0.750 10.136 20 2HD2 LEU 3 2HD2 LEU 3 4.498 -0.387 9.168 21 3HD2 LEU 3 3HD2 LEU 3 5.274 0.566 10.423 22 H ILE 4 H ILE 4 4.080 1.670 4.070 23 HA ILE 4 HA ILE 4 6.682 0.278 4.023 24 HB ILE 4 HB ILE 4 5.900 -0.797 2.096 25 2HG1 ILE 4 2HG1 ILE 4 4.526 1.571 1.362 26 1HG2 ILE 4 1HG2 ILE 4 3.777 -1.860 2.542 27 2HG2 ILE 4 2HG2 ILE 4 4.643 -1.669 4.074 28 3HG2 ILE 4 3HG2 ILE 4 3.289 -0.576 3.659 29 1HD1 ILE 4 1HD1 ILE 4 4.422 -1.204 0.154 30 2HD1 ILE 4 2HD1 ILE 4 4.157 0.354 -0.666 31 3HD1 ILE 4 3HD1 ILE 4 5.784 -0.073 -0.060 32 H ASP 5 H ASP 5 7.750 1.045 1.825 33 HA ASP 5 HA ASP 5 6.607 3.580 0.864 34 2HB ASP 5 2HB ASP 5 9.594 3.239 1.261 35 H VAL 6 H VAL 6 5.665 2.667 -0.769 36 HA VAL 6 HA VAL 6 7.561 2.441 -2.892 37 HB VAL 6 HB VAL 6 6.435 0.030 -2.438 38 1HG1 VAL 6 1HG1 VAL 6 4.523 1.247 -4.487 39 2HG1 VAL 6 2HG1 VAL 6 4.538 -0.409 -3.860 40 3HG1 VAL 6 3HG1 VAL 6 4.067 0.934 -2.802 41 1HG2 VAL 6 1HG2 VAL 6 8.146 0.537 -4.106 42 2HG2 VAL 6 2HG2 VAL 6 6.875 -0.481 -4.803 43 3HG2 VAL 6 3HG2 VAL 6 6.926 1.252 -5.179 44 H LYS 7 H LYS 7 6.796 3.526 -4.704 45 HA LYS 7 HA LYS 7 5.445 5.842 -3.941 46 2HB LYS 7 2HB LYS 7 5.688 6.396 -6.445 47 2HG LYS 7 2HG LYS 7 7.892 5.541 -4.540 48 2HD LYS 7 2HD LYS 7 8.362 6.749 -7.304 49 2HE LYS 7 2HE LYS 7 10.756 6.436 -6.683 50 1HZ LYS 7 1HZ LYS 7 9.746 8.535 -6.035 51 2HZ LYS 7 2HZ LYS 7 9.338 7.922 -4.562 52 3HZ LYS 7 3HZ LYS 7 10.922 8.090 -4.969 53 H CYS 8 H CYS 8 3.310 6.199 -3.659 54 HA CYS 8 HA CYS 8 1.261 4.421 -4.797 55 2HB CYS 8 2HB CYS 8 1.342 6.474 -2.823 56 H PHE 9 H PHE 9 0.797 4.513 -6.790 57 HA PHE 9 HA PHE 9 0.434 7.026 -8.299 58 2HB PHE 9 2HB PHE 9 -0.749 4.379 -9.135 59 HD1 PHE 9 HD1 PHE 9 2.115 5.860 -10.847 60 HD2 PHE 9 HD2 PHE 9 -2.189 6.011 -10.517 61 HE1 PHE 9 HE1 PHE 9 1.990 7.106 -12.984 62 HE2 PHE 9 HE2 PHE 9 -2.301 7.261 -12.653 63 HZ PHE 9 HZ PHE 9 -0.214 7.814 -13.889 64 H ALA 10 H ALA 10 -1.152 5.018 -5.922 65 HA ALA 10 HA ALA 10 -3.429 6.523 -5.552 66 1HB ALA 10 1HB ALA 10 -5.199 5.033 -6.508 67 2HB ALA 10 2HB ALA 10 -4.264 5.812 -7.784 68 3HB ALA 10 3HB ALA 10 -3.946 4.114 -7.366 69 H SER 11 H SER 11 -4.737 5.561 -3.883 70 HA SER 11 HA SER 11 -3.566 3.701 -2.066 71 2HB SER 11 2HB SER 11 -6.007 3.454 -1.314 72 HG SER 11 HG SER 11 -4.999 6.112 -1.610 73 H SER 12 H SER 12 -5.714 3.114 -4.891 74 HA SER 12 HA SER 12 -6.287 0.446 -4.223 75 2HB SER 12 2HB SER 12 -7.734 1.260 -5.809 76 HG SER 12 HG SER 12 -6.986 2.735 -7.463 77 H GLU 13 H GLU 13 -3.341 1.920 -5.437 78 HA GLU 13 HA GLU 13 -2.309 -0.443 -6.739 79 2HB GLU 13 2HB GLU 13 -0.675 1.524 -5.280 80 2HG GLU 13 2HG GLU 13 0.798 1.401 -7.314 81 H CYS 14 H CYS 14 -1.862 1.109 -3.505 82 HA CYS 14 HA CYS 14 -0.042 -0.461 -2.255 83 2HB CYS 14 2HB CYS 14 -1.019 0.297 -0.244 84 H TRP 15 H TRP 15 -3.281 -1.094 -3.135 85 HA TRP 15 HA TRP 15 -3.792 -3.380 -1.351 86 2HB TRP 15 2HB TRP 15 -5.598 -3.940 -2.861 87 HD1 TRP 15 HD1 TRP 15 -4.753 -1.028 -0.894 88 HE1 TRP 15 HE1 TRP 15 -6.731 0.427 -0.367 89 HE3 TRP 15 HE3 TRP 15 -8.001 -2.989 -4.274 90 HZ2 TRP 15 HZ2 TRP 15 -9.485 0.768 -1.361 91 HZ3 TRP 15 HZ3 TRP 15 -10.314 -2.085 -4.477 92 HH2 TRP 15 HH2 TRP 15 -11.059 -0.213 -3.027 93 H THR 16 H THR 16 -3.069 -3.209 -4.936 94 HA THR 16 HA THR 16 -2.311 -5.926 -5.175 95 HB THR 16 HB THR 16 -1.002 -4.701 -7.211 96 HG1 THR 16 HG1 THR 16 -1.382 -2.587 -6.773 97 1HG2 THR 16 1HG2 THR 16 -3.122 -4.864 -8.480 98 2HG2 THR 16 2HG2 THR 16 -2.891 -6.283 -7.440 99 3HG2 THR 16 3HG2 THR 16 -4.028 -4.997 -6.959 100 H ALA 17 H ALA 17 -0.388 -3.031 -4.091 101 HA ALA 17 HA ALA 17 2.088 -4.438 -4.184 102 1HB ALA 17 1HB ALA 17 1.860 -1.972 -3.793 103 2HB ALA 17 2HB ALA 17 1.269 -2.321 -2.152 104 3HB ALA 17 3HB ALA 17 2.916 -2.776 -2.618 105 H CYS 18 H CYS 18 -0.310 -4.156 -1.526 106 HA CYS 18 HA CYS 18 1.139 -5.792 0.309 107 2HB CYS 18 2HB CYS 18 -1.878 -5.712 0.340 108 H LYS 19 H LYS 19 -1.152 -6.487 -2.336 109 HA LYS 19 HA LYS 19 -1.520 -9.212 -1.700 110 2HB LYS 19 2HB LYS 19 -2.140 -9.319 -4.132 111 2HG LYS 19 2HG LYS 19 -3.333 -6.993 -2.833 112 2HD LYS 19 2HD LYS 19 -4.205 -7.914 -5.114 113 2HE LYS 19 2HE LYS 19 -5.209 -10.063 -3.155 114 1HZ LYS 19 1HZ LYS 19 -6.873 -9.471 -4.782 115 2HZ LYS 19 2HZ LYS 19 -5.819 -9.748 -6.019 116 3HZ LYS 19 3HZ LYS 19 -6.298 -10.987 -5.049 117 H LYS 20 H LYS 20 0.637 -7.532 -3.914 118 HA LYS 20 HA LYS 20 2.129 -9.637 -4.940 119 2HB LYS 20 2HB LYS 20 3.384 -6.961 -4.227 120 2HG LYS 20 2HG LYS 20 4.727 -8.803 -5.462 121 2HD LYS 20 2HD LYS 20 2.833 -7.826 -7.659 122 2HE LYS 20 2HE LYS 20 5.237 -9.724 -7.807 123 1HZ LYS 20 1HZ LYS 20 3.511 -10.229 -9.408 124 2HZ LYS 20 2HZ LYS 20 3.515 -8.675 -9.959 125 3HZ LYS 20 3HZ LYS 20 4.843 -9.621 -10.155 126 H VAL 21 H VAL 21 2.807 -7.826 -1.786 127 HA VAL 21 HA VAL 21 5.134 -9.282 -1.202 128 HB VAL 21 HB VAL 21 3.089 -7.472 0.160 129 1HG1 VAL 21 1HG1 VAL 21 5.660 -8.522 1.228 130 2HG1 VAL 21 2HG1 VAL 21 4.766 -7.094 1.869 131 3HG1 VAL 21 3HG1 VAL 21 3.990 -8.689 1.862 132 1HG2 VAL 21 1HG2 VAL 21 4.848 -5.755 -0.086 133 2HG2 VAL 21 2HG2 VAL 21 5.981 -6.975 -0.720 134 3HG2 VAL 21 3HG2 VAL 21 4.583 -6.472 -1.685 135 H THR 22 H THR 22 1.826 -9.194 0.222 136 HA THR 22 HA THR 22 2.487 -11.702 1.590 137 HB THR 22 HB THR 22 2.325 -10.287 3.308 138 HG1 THR 22 HG1 THR 22 0.671 -11.964 3.433 139 1HG2 THR 22 1HG2 THR 22 0.743 -8.490 3.668 140 2HG2 THR 22 2HG2 THR 22 1.620 -8.210 2.162 141 3HG2 THR 22 3HG2 THR 22 -0.056 -8.820 2.126 142 H GLY 23 H GLY 23 0.023 -10.146 -0.385 143 1HA GLY 23 1HA GLY 23 -1.600 -11.505 -1.648 144 2HA GLY 23 2HA GLY 23 -1.697 -12.620 -0.292 145 H SER 24 H SER 24 -1.492 -10.141 1.484 146 HA SER 24 HA SER 24 -4.328 -10.181 2.099 147 2HB SER 24 2HB SER 24 -3.649 -9.219 4.188 148 HG SER 24 HG SER 24 -1.378 -10.777 3.673 149 H GLY 25 H GLY 25 -4.668 -9.019 -0.026 150 1HA GLY 25 1HA GLY 25 -3.606 -6.669 -0.802 151 2HA GLY 25 2HA GLY 25 -5.159 -7.286 -1.337 152 H GLN 26 H GLN 26 -4.568 -5.759 1.878 153 HA GLN 26 HA GLN 26 -6.918 -4.042 1.338 154 2HB GLN 26 2HB GLN 26 -7.630 -4.668 3.536 155 2HG GLN 26 2HG GLN 26 -6.596 -7.177 2.152 156 1HE2 GLN 26 1HE2 GLN 26 -9.816 -6.077 3.332 157 2HE2 GLN 26 2HE2 GLN 26 -10.007 -7.430 4.428 158 H GLY 27 H GLY 27 -5.907 -1.988 1.117 159 1HA GLY 27 1HA GLY 27 -4.560 -0.856 3.490 160 2HA GLY 27 2HA GLY 27 -3.587 -1.099 2.013 161 H LYS 28 H LYS 28 -3.318 1.272 2.280 162 HA LYS 28 HA LYS 28 -4.802 2.613 0.272 163 2HB LYS 28 2HB LYS 28 -5.185 4.701 1.724 164 2HG LYS 28 2HG LYS 28 -7.023 2.774 1.119 165 2HD LYS 28 2HD LYS 28 -7.509 3.624 4.004 166 2HE LYS 28 2HE LYS 28 -9.351 2.814 2.342 167 1HZ LYS 28 1HZ LYS 28 -9.540 0.526 2.062 168 2HZ LYS 28 2HZ LYS 28 -7.914 0.771 1.822 169 3HZ LYS 28 3HZ LYS 28 -8.446 0.172 3.238 170 H CYS 29 H CYS 29 -3.752 4.733 -0.199 171 HA CYS 29 HA CYS 29 -0.843 4.385 0.273 172 2HB CYS 29 2HB CYS 29 -1.742 4.808 -2.200 173 H GLN 30 H GLN 30 0.372 6.434 0.778 174 HA GLN 30 HA GLN 30 -1.210 8.621 1.986 175 2HB GLN 30 2HB GLN 30 1.195 7.357 3.362 176 2HG GLN 30 2HG GLN 30 -0.806 9.536 4.099 177 1HE2 GLN 30 1HE2 GLN 30 0.291 10.766 6.118 178 2HE2 GLN 30 2HE2 GLN 30 0.396 9.744 7.535 179 H ASN 31 H ASN 31 -0.454 10.456 1.060 180 HA ASN 31 HA ASN 31 0.870 11.986 0.070 181 2HB ASN 31 2HB ASN 31 3.415 11.748 0.633 182 1HD2 ASN 31 1HD2 ASN 31 3.343 13.820 1.475 183 2HD2 ASN 31 2HD2 ASN 31 2.429 14.244 2.911 184 H ASN 32 H ASN 32 3.180 9.295 -0.293 185 HA ASN 32 HA ASN 32 2.465 8.504 -2.836 186 2HB ASN 32 2HB ASN 32 4.767 10.498 -2.669 187 1HD2 ASN 32 1HD2 ASN 32 3.048 8.355 -5.056 188 2HD2 ASN 32 2HD2 ASN 32 4.434 7.368 -4.818 189 H GLN 33 H GLN 33 2.686 7.384 -0.388 190 HA GLN 33 HA GLN 33 4.766 5.352 -0.597 191 2HB GLN 33 2HB GLN 33 4.938 5.424 1.880 192 2HG GLN 33 2HG GLN 33 6.612 6.713 0.379 193 1HE2 GLN 33 1HE2 GLN 33 6.404 8.548 -0.911 194 2HE2 GLN 33 2HE2 GLN 33 6.080 10.161 -0.264 195 H CYS 34 H CYS 34 3.676 3.589 1.304 196 HA CYS 34 HA CYS 34 0.779 3.770 1.139 197 2HB CYS 34 2HB CYS 34 1.483 1.181 0.186 198 H ARG 35 H ARG 35 -0.388 2.061 2.109 199 HA ARG 35 HA ARG 35 1.052 0.796 4.340 200 2HB ARG 35 2HB ARG 35 -0.557 1.823 5.957 201 2HG ARG 35 2HG ARG 35 0.751 3.854 4.189 202 2HD ARG 35 2HD ARG 35 -0.596 4.871 5.982 203 HE ARG 35 HE ARG 35 0.825 3.006 7.401 204 1HH1 ARG 35 1HH1 ARG 35 0.483 6.523 7.555 205 2HH1 ARG 35 2HH1 ARG 35 0.777 6.675 9.265 206 1HH2 ARG 35 1HH2 ARG 35 1.218 3.166 9.758 207 2HH2 ARG 35 2HH2 ARG 35 1.235 4.711 10.543 208 H CYS 36 H CYS 36 -0.108 -0.797 5.324 209 HA CYS 36 HA CYS 36 -2.586 -1.828 3.986 210 2HB CYS 36 2HB CYS 36 -0.066 -3.496 4.338 211 H TYR 37 H TYR 37 -3.696 -3.388 5.321 212 HA TYR 37 HA TYR 37 -3.596 -2.436 8.027 213 2HB TYR 37 2HB TYR 37 -5.602 -3.147 6.477 214 HD1 TYR 37 HD1 TYR 37 -6.855 -5.037 9.029 215 HD2 TYR 37 HD2 TYR 37 -4.387 -5.542 5.524 216 HE1 TYR 37 HE1 TYR 37 -7.763 -7.318 8.705 217 HE2 TYR 37 HE2 TYR 37 -5.355 -7.787 5.173 218 HH TYR 37 HH TYR 37 -7.343 -8.998 5.663 Start of MODEL 3 1 1H PHE 1 1H PHE 1 1.631 -2.844 11.411 2 HA PHE 1 HA PHE 1 -0.246 -4.072 9.631 3 2HB PHE 1 2HB PHE 1 -1.801 -2.472 10.446 4 HD1 PHE 1 HD1 PHE 1 0.393 0.117 8.888 5 HD2 PHE 1 HD2 PHE 1 -1.317 -1.354 12.562 6 HE1 PHE 1 HE1 PHE 1 1.230 2.115 10.090 7 HE2 PHE 1 HE2 PHE 1 -0.559 0.690 13.734 8 HZ PHE 1 HZ PHE 1 0.735 2.419 12.508 9 H GLY 2 H GLY 2 0.186 -3.414 7.417 10 1HA GLY 2 1HA GLY 2 2.935 -2.950 6.733 11 2HA GLY 2 2HA GLY 2 1.554 -2.837 5.667 12 H LEU 3 H LEU 3 4.052 -0.973 6.964 13 HA LEU 3 HA LEU 3 2.763 1.293 5.689 14 2HB LEU 3 2HB LEU 3 2.629 1.808 8.139 15 HG LEU 3 HG LEU 3 5.693 1.677 7.933 16 1HD1 LEU 3 1HD1 LEU 3 3.917 3.032 10.066 17 2HD1 LEU 3 2HD1 LEU 3 5.683 2.855 10.132 18 3HD1 LEU 3 3HD1 LEU 3 4.946 3.855 8.871 19 1HD2 LEU 3 1HD2 LEU 3 5.407 0.477 10.181 20 2HD2 LEU 3 2HD2 LEU 3 3.656 0.424 9.905 21 3HD2 LEU 3 3HD2 LEU 3 4.772 -0.432 8.818 22 H ILE 4 H ILE 4 4.003 1.796 3.891 23 HA ILE 4 HA ILE 4 6.614 0.513 3.727 24 HB ILE 4 HB ILE 4 5.607 -0.865 2.089 25 2HG1 ILE 4 2HG1 ILE 4 4.376 1.211 1.014 26 1HG2 ILE 4 1HG2 ILE 4 4.572 -1.448 4.340 27 2HG2 ILE 4 2HG2 ILE 4 3.167 -0.415 3.941 28 3HG2 ILE 4 3HG2 ILE 4 3.529 -1.865 2.997 29 1HD1 ILE 4 1HD1 ILE 4 3.325 -1.663 0.870 30 2HD1 ILE 4 2HD1 ILE 4 2.957 -0.390 -0.280 31 3HD1 ILE 4 3HD1 ILE 4 4.624 -1.011 -0.146 32 H ASP 5 H ASP 5 7.786 1.414 1.888 33 HA ASP 5 HA ASP 5 6.695 3.994 0.834 34 2HB ASP 5 2HB ASP 5 9.632 3.358 1.095 35 H VAL 6 H VAL 6 5.504 2.846 -0.551 36 HA VAL 6 HA VAL 6 7.121 2.499 -3.026 37 HB VAL 6 HB VAL 6 5.552 1.033 -4.077 38 1HG1 VAL 6 1HG1 VAL 6 7.417 0.047 -2.795 39 2HG1 VAL 6 2HG1 VAL 6 6.386 -0.074 -1.357 40 3HG1 VAL 6 3HG1 VAL 6 5.997 -1.018 -2.811 41 1HG2 VAL 6 1HG2 VAL 6 3.732 -0.079 -2.715 42 2HG2 VAL 6 2HG2 VAL 6 4.002 1.178 -1.480 43 3HG2 VAL 6 3HG2 VAL 6 3.437 1.624 -3.101 44 H LYS 7 H LYS 7 6.582 3.820 -4.622 45 HA LYS 7 HA LYS 7 5.278 6.195 -3.789 46 2HB LYS 7 2HB LYS 7 5.986 7.009 -6.071 47 2HG LYS 7 2HG LYS 7 7.909 5.693 -4.086 48 2HD LYS 7 2HD LYS 7 8.521 7.709 -6.288 49 2HE LYS 7 2HE LYS 7 10.168 6.523 -3.983 50 1HZ LYS 7 1HZ LYS 7 11.507 6.694 -5.956 51 2HZ LYS 7 2HZ LYS 7 11.077 8.273 -6.174 52 3HZ LYS 7 3HZ LYS 7 11.958 7.830 -4.855 53 H CYS 8 H CYS 8 3.169 6.026 -3.450 54 HA CYS 8 HA CYS 8 1.265 4.666 -5.070 55 2HB CYS 8 2HB CYS 8 1.011 5.301 -2.818 56 H PHE 9 H PHE 9 0.545 5.171 -7.063 57 HA PHE 9 HA PHE 9 -0.032 8.005 -7.806 58 2HB PHE 9 2HB PHE 9 -1.216 6.833 -9.723 59 HD1 PHE 9 HD1 PHE 9 2.013 5.048 -9.146 60 HD2 PHE 9 HD2 PHE 9 0.104 8.508 -10.874 61 HE1 PHE 9 HE1 PHE 9 4.113 5.625 -10.328 62 HE2 PHE 9 HE2 PHE 9 2.198 9.075 -12.065 63 HZ PHE 9 HZ PHE 9 4.208 7.635 -11.799 64 H ALA 10 H ALA 10 -1.405 5.172 -6.167 65 HA ALA 10 HA ALA 10 -3.718 6.662 -5.312 66 1HB ALA 10 1HB ALA 10 -4.512 6.050 -7.590 67 2HB ALA 10 2HB ALA 10 -4.105 4.351 -7.276 68 3HB ALA 10 3HB ALA 10 -5.402 5.141 -6.356 69 H SER 11 H SER 11 -5.150 5.126 -3.929 70 HA SER 11 HA SER 11 -3.604 3.589 -2.078 71 2HB SER 11 2HB SER 11 -5.648 4.557 -1.298 72 HG SER 11 HG SER 11 -7.572 4.422 -2.568 73 H SER 12 H SER 12 -5.465 2.665 -5.015 74 HA SER 12 HA SER 12 -5.681 -0.034 -4.402 75 2HB SER 12 2HB SER 12 -6.973 0.774 -6.184 76 HG SER 12 HG SER 12 -4.726 1.672 -7.633 77 H GLU 13 H GLU 13 -3.007 1.743 -5.768 78 HA GLU 13 HA GLU 13 -1.075 -0.053 -6.553 79 2HB GLU 13 2HB GLU 13 -0.768 2.051 -4.434 80 2HG GLU 13 2HG GLU 13 1.248 0.726 -5.835 81 H CYS 14 H CYS 14 -1.952 0.876 -3.201 82 HA CYS 14 HA CYS 14 0.092 -0.512 -1.822 83 2HB CYS 14 2HB CYS 14 -1.060 0.314 0.068 84 H TRP 15 H TRP 15 -3.100 -1.118 -2.999 85 HA TRP 15 HA TRP 15 -3.712 -3.418 -1.260 86 2HB TRP 15 2HB TRP 15 -5.460 -3.952 -2.840 87 HD1 TRP 15 HD1 TRP 15 -4.744 -1.143 -0.771 88 HE1 TRP 15 HE1 TRP 15 -6.763 0.328 -0.322 89 HE3 TRP 15 HE3 TRP 15 -7.777 -2.882 -4.487 90 HZ2 TRP 15 HZ2 TRP 15 -9.398 0.771 -1.509 91 HZ3 TRP 15 HZ3 TRP 15 -10.033 -1.905 -4.825 92 HH2 TRP 15 HH2 TRP 15 -10.853 -0.087 -3.346 93 H THR 16 H THR 16 -2.843 -3.093 -4.783 94 HA THR 16 HA THR 16 -2.126 -5.799 -5.148 95 HB THR 16 HB THR 16 -0.684 -4.618 -7.016 96 HG1 THR 16 HG1 THR 16 -0.949 -2.506 -5.914 97 1HG2 THR 16 1HG2 THR 16 -3.721 -4.377 -6.882 98 2HG2 THR 16 2HG2 THR 16 -2.745 -4.296 -8.360 99 3HG2 THR 16 3HG2 THR 16 -2.816 -5.806 -7.431 100 H ALA 17 H ALA 17 -0.231 -3.087 -3.717 101 HA ALA 17 HA ALA 17 2.234 -4.503 -3.732 102 1HB ALA 17 1HB ALA 17 2.970 -2.936 -2.026 103 2HB ALA 17 2HB ALA 17 2.018 -2.054 -3.235 104 3HB ALA 17 3HB ALA 17 1.307 -2.466 -1.659 105 H CYS 18 H CYS 18 -0.222 -4.265 -1.079 106 HA CYS 18 HA CYS 18 1.172 -6.034 0.613 107 2HB CYS 18 2HB CYS 18 -1.790 -6.207 0.804 108 H LYS 19 H LYS 19 -1.100 -6.566 -2.043 109 HA LYS 19 HA LYS 19 -1.597 -9.301 -1.615 110 2HB LYS 19 2HB LYS 19 -2.071 -9.173 -4.140 111 2HG LYS 19 2HG LYS 19 -3.361 -7.032 -2.651 112 2HD LYS 19 2HD LYS 19 -4.048 -7.785 -5.086 113 2HE LYS 19 2HE LYS 19 -5.949 -9.370 -5.016 114 1HZ LYS 19 1HZ LYS 19 -3.645 -10.658 -3.710 115 2HZ LYS 19 2HZ LYS 19 -4.838 -11.418 -4.541 116 3HZ LYS 19 3HZ LYS 19 -3.795 -10.421 -5.334 117 H LYS 20 H LYS 20 0.635 -7.633 -3.762 118 HA LYS 20 HA LYS 20 1.993 -9.773 -4.940 119 2HB LYS 20 2HB LYS 20 4.029 -8.140 -4.956 120 2HG LYS 20 2HG LYS 20 1.352 -7.520 -6.251 121 2HD LYS 20 2HD LYS 20 4.143 -6.403 -6.796 122 2HE LYS 20 2HE LYS 20 1.494 -5.967 -8.274 123 1HZ LYS 20 1HZ LYS 20 2.872 -3.992 -8.251 124 2HZ LYS 20 2HZ LYS 20 4.164 -4.840 -8.825 125 3HZ LYS 20 3HZ LYS 20 2.823 -4.646 -9.755 126 H VAL 21 H VAL 21 2.977 -8.176 -1.791 127 HA VAL 21 HA VAL 21 4.974 -10.205 -1.351 128 HB VAL 21 HB VAL 21 4.317 -9.253 1.131 129 1HG1 VAL 21 1HG1 VAL 21 6.330 -7.783 0.820 130 2HG1 VAL 21 2HG1 VAL 21 6.590 -9.397 0.123 131 3HG1 VAL 21 3HG1 VAL 21 6.180 -8.025 -0.940 132 1HG2 VAL 21 1HG2 VAL 21 2.713 -7.615 0.241 133 2HG2 VAL 21 2HG2 VAL 21 4.050 -6.906 1.144 134 3HG2 VAL 21 3HG2 VAL 21 4.063 -6.820 -0.622 135 H THR 22 H THR 22 1.910 -9.662 0.587 136 HA THR 22 HA THR 22 2.273 -12.317 1.627 137 HB THR 22 HB THR 22 0.771 -9.745 2.323 138 HG1 THR 22 HG1 THR 22 2.489 -9.598 3.839 139 1HG2 THR 22 1HG2 THR 22 -0.332 -11.586 3.309 140 2HG2 THR 22 2HG2 THR 22 1.215 -12.296 3.866 141 3HG2 THR 22 3HG2 THR 22 0.618 -10.755 4.566 142 H GLY 23 H GLY 23 -0.042 -10.359 -0.176 143 1HA GLY 23 1HA GLY 23 -1.790 -11.509 -1.536 144 2HA GLY 23 2HA GLY 23 -1.992 -12.677 -0.251 145 H SER 24 H SER 24 -1.609 -10.070 1.581 146 HA SER 24 HA SER 24 -4.409 -10.133 2.334 147 2HB SER 24 2HB SER 24 -2.874 -10.398 4.084 148 HG SER 24 HG SER 24 -1.066 -8.839 4.231 149 H GLY 25 H GLY 25 -4.800 -9.072 0.150 150 1HA GLY 25 1HA GLY 25 -3.652 -6.764 -0.659 151 2HA GLY 25 2HA GLY 25 -5.168 -7.414 -1.273 152 H GLN 26 H GLN 26 -4.917 -5.850 1.971 153 HA GLN 26 HA GLN 26 -6.909 -3.861 1.032 154 2HB GLN 26 2HB GLN 26 -7.850 -4.001 3.201 155 2HG GLN 26 2HG GLN 26 -7.276 -6.854 2.315 156 1HE2 GLN 26 1HE2 GLN 26 -7.964 -7.653 4.503 157 2HE2 GLN 26 2HE2 GLN 26 -9.645 -7.458 4.949 158 H GLY 27 H GLY 27 -6.351 -1.657 1.466 159 1HA GLY 27 1HA GLY 27 -4.682 -0.781 3.569 160 2HA GLY 27 2HA GLY 27 -3.685 -1.068 2.120 161 H LYS 28 H LYS 28 -3.363 1.366 2.398 162 HA LYS 28 HA LYS 28 -4.836 2.686 0.330 163 2HB LYS 28 2HB LYS 28 -5.222 4.781 1.814 164 2HG LYS 28 2HG LYS 28 -7.052 2.914 1.014 165 2HD LYS 28 2HD LYS 28 -7.570 3.531 3.961 166 2HE LYS 28 2HE LYS 28 -8.982 1.723 1.925 167 1HZ LYS 28 1HZ LYS 28 -9.774 2.426 4.675 168 2HZ LYS 28 2HZ LYS 28 -10.655 1.537 3.609 169 3HZ LYS 28 3HZ LYS 28 -9.231 0.949 4.179 170 H CYS 29 H CYS 29 -3.800 4.735 -0.265 171 HA CYS 29 HA CYS 29 -0.902 4.490 0.250 172 2HB CYS 29 2HB CYS 29 -1.666 4.714 -2.269 173 H GLN 30 H GLN 30 0.276 6.567 0.617 174 HA GLN 30 HA GLN 30 -1.288 8.870 1.621 175 2HB GLN 30 2HB GLN 30 1.197 7.830 3.008 176 2HG GLN 30 2HG GLN 30 -0.982 9.637 4.129 177 1HE2 GLN 30 1HE2 GLN 30 2.631 9.502 4.131 178 2HE2 GLN 30 2HE2 GLN 30 2.778 9.383 5.872 179 H ASN 31 H ASN 31 -0.383 10.635 0.488 180 HA ASN 31 HA ASN 31 1.158 12.021 -0.353 181 2HB ASN 31 2HB ASN 31 3.163 10.315 1.244 182 1HD2 ASN 31 1HD2 ASN 31 5.147 10.893 0.398 183 2HD2 ASN 31 2HD2 ASN 31 5.582 12.558 0.022 184 H ASN 32 H ASN 32 3.418 9.405 -0.450 185 HA ASN 32 HA ASN 32 2.728 8.212 -2.865 186 2HB ASN 32 2HB ASN 32 4.784 8.504 -4.227 187 1HD2 ASN 32 1HD2 ASN 32 2.548 9.256 -5.066 188 2HD2 ASN 32 2HD2 ASN 32 2.289 10.981 -4.884 189 H GLN 33 H GLN 33 2.675 7.287 -0.554 190 HA GLN 33 HA GLN 33 4.708 5.236 -0.282 191 2HB GLN 33 2HB GLN 33 4.516 5.670 2.258 192 2HG GLN 33 2HG GLN 33 6.508 6.202 0.708 193 1HE2 GLN 33 1HE2 GLN 33 8.247 7.821 0.728 194 2HE2 GLN 33 2HE2 GLN 33 7.829 9.496 0.312 195 H CYS 34 H CYS 34 3.486 3.670 1.615 196 HA CYS 34 HA CYS 34 0.598 3.918 1.356 197 2HB CYS 34 2HB CYS 34 1.277 1.298 0.450 198 H ARG 35 H ARG 35 -0.559 2.126 2.336 199 HA ARG 35 HA ARG 35 1.036 0.680 4.339 200 2HB ARG 35 2HB ARG 35 -0.834 1.311 6.028 201 2HG ARG 35 2HG ARG 35 1.266 3.235 5.032 202 2HD ARG 35 2HD ARG 35 -1.231 4.175 6.165 203 HE ARG 35 HE ARG 35 0.505 3.783 8.050 204 1HH1 ARG 35 1HH1 ARG 35 -0.669 6.607 6.380 205 2HH1 ARG 35 2HH1 ARG 35 0.010 7.836 7.376 206 1HH2 ARG 35 1HH2 ARG 35 1.150 5.375 9.791 207 2HH2 ARG 35 2HH2 ARG 35 0.789 7.061 9.577 208 H CYS 36 H CYS 36 0.084 -1.333 4.958 209 HA CYS 36 HA CYS 36 -2.332 -2.138 3.445 210 2HB CYS 36 2HB CYS 36 -1.894 -4.229 4.129 211 H TYR 37 H TYR 37 -2.478 -3.823 6.174 212 HA TYR 37 HA TYR 37 -3.850 -1.850 7.844 213 2HB TYR 37 2HB TYR 37 -5.326 -2.703 5.821 214 HD1 TYR 37 HD1 TYR 37 -4.229 -5.033 5.136 215 HD2 TYR 37 HD2 TYR 37 -7.077 -4.522 8.340 216 HE1 TYR 37 HE1 TYR 37 -5.035 -7.341 4.800 217 HE2 TYR 37 HE2 TYR 37 -7.786 -6.873 8.079 218 HH TYR 37 HH TYR 37 -7.572 -8.812 6.807 Start of MODEL 4 1 1H PHE 1 1H PHE 1 0.585 -6.563 9.265 2 HA PHE 1 HA PHE 1 0.270 -4.564 7.473 3 2HB PHE 1 2HB PHE 1 -1.477 -3.654 8.913 4 HD1 PHE 1 HD1 PHE 1 -1.563 -5.910 6.977 5 HD2 PHE 1 HD2 PHE 1 -2.281 -5.861 11.242 6 HE1 PHE 1 HE1 PHE 1 -3.029 -7.888 6.766 7 HE2 PHE 1 HE2 PHE 1 -3.756 -7.830 11.007 8 HZ PHE 1 HZ PHE 1 -4.134 -8.852 8.774 9 H GLY 2 H GLY 2 0.123 -2.204 7.658 10 1HA GLY 2 1HA GLY 2 0.580 -0.267 8.986 11 2HA GLY 2 2HA GLY 2 2.180 -0.918 9.437 12 H LEU 3 H LEU 3 3.339 0.829 8.507 13 HA LEU 3 HA LEU 3 2.620 1.680 5.785 14 2HB LEU 3 2HB LEU 3 2.811 3.341 7.627 15 HG LEU 3 HG LEU 3 5.258 2.031 8.230 16 1HD1 LEU 3 1HD1 LEU 3 6.315 3.219 6.281 17 2HD1 LEU 3 2HD1 LEU 3 5.846 4.788 6.972 18 3HD1 LEU 3 3HD1 LEU 3 6.989 3.741 7.835 19 1HD2 LEU 3 1HD2 LEU 3 5.538 3.893 9.856 20 2HD2 LEU 3 2HD2 LEU 3 4.321 4.870 9.007 21 3HD2 LEU 3 3HD2 LEU 3 3.855 3.346 9.801 22 H ILE 4 H ILE 4 4.065 1.859 4.041 23 HA ILE 4 HA ILE 4 6.515 0.213 4.216 24 HB ILE 4 HB ILE 4 5.725 -0.864 2.291 25 2HG1 ILE 4 2HG1 ILE 4 4.637 1.634 1.396 26 1HG2 ILE 4 1HG2 ILE 4 3.482 -1.667 2.687 27 2HG2 ILE 4 2HG2 ILE 4 4.283 -1.452 4.251 28 3HG2 ILE 4 3HG2 ILE 4 3.077 -0.264 3.691 29 1HD1 ILE 4 1HD1 ILE 4 4.496 -1.160 0.230 30 2HD1 ILE 4 2HD1 ILE 4 4.361 0.386 -0.639 31 3HD1 ILE 4 3HD1 ILE 4 5.912 -0.084 0.102 32 H ASP 5 H ASP 5 7.489 0.762 1.712 33 HA ASP 5 HA ASP 5 6.801 3.515 0.986 34 2HB ASP 5 2HB ASP 5 9.690 2.657 1.239 35 H VAL 6 H VAL 6 5.667 2.987 -0.713 36 HA VAL 6 HA VAL 6 7.457 2.702 -2.907 37 HB VAL 6 HB VAL 6 6.337 0.335 -2.557 38 1HG1 VAL 6 1HG1 VAL 6 4.310 -0.060 -3.783 39 2HG1 VAL 6 2HG1 VAL 6 3.947 1.243 -2.639 40 3HG1 VAL 6 3HG1 VAL 6 4.225 1.615 -4.349 41 1HG2 VAL 6 1HG2 VAL 6 6.536 -0.070 -4.969 42 2HG2 VAL 6 2HG2 VAL 6 6.539 1.678 -5.277 43 3HG2 VAL 6 3HG2 VAL 6 7.870 0.928 -4.367 44 H LYS 7 H LYS 7 7.023 4.178 -4.401 45 HA LYS 7 HA LYS 7 5.400 6.342 -4.095 46 2HB LYS 7 2HB LYS 7 7.201 6.351 -5.604 47 2HG LYS 7 2HG LYS 7 5.682 4.501 -7.496 48 2HD LYS 7 2HD LYS 7 8.491 5.685 -7.518 49 2HE LYS 7 2HE LYS 7 7.049 3.886 -9.534 50 1HZ LYS 7 1HZ LYS 7 9.157 3.898 -10.654 51 2HZ LYS 7 2HZ LYS 7 8.574 5.432 -10.565 52 3HZ LYS 7 3HZ LYS 7 9.798 4.955 -9.571 53 H CYS 8 H CYS 8 3.232 6.562 -3.891 54 HA CYS 8 HA CYS 8 1.369 4.559 -5.117 55 2HB CYS 8 2HB CYS 8 1.117 5.297 -2.929 56 H PHE 9 H PHE 9 0.416 4.933 -7.153 57 HA PHE 9 HA PHE 9 -0.156 7.789 -7.882 58 2HB PHE 9 2HB PHE 9 -1.480 6.471 -9.743 59 HD1 PHE 9 HD1 PHE 9 2.148 5.599 -9.288 60 HD2 PHE 9 HD2 PHE 9 -0.742 8.149 -11.228 61 HE1 PHE 9 HE1 PHE 9 3.966 6.683 -10.597 62 HE2 PHE 9 HE2 PHE 9 1.066 9.194 -12.556 63 HZ PHE 9 HZ PHE 9 3.426 8.477 -12.237 64 H ALA 10 H ALA 10 -1.479 5.036 -6.146 65 HA ALA 10 HA ALA 10 -3.790 6.551 -5.347 66 1HB ALA 10 1HB ALA 10 -4.628 5.806 -7.570 67 2HB ALA 10 2HB ALA 10 -4.185 4.130 -7.179 68 3HB ALA 10 3HB ALA 10 -5.475 4.948 -6.274 69 H SER 11 H SER 11 -5.156 5.098 -3.829 70 HA SER 11 HA SER 11 -3.549 3.575 -2.003 71 2HB SER 11 2HB SER 11 -5.551 4.620 -1.176 72 HG SER 11 HG SER 11 -7.554 4.370 -2.373 73 H SER 12 H SER 12 -5.633 2.673 -4.798 74 HA SER 12 HA SER 12 -5.852 -0.016 -4.158 75 2HB SER 12 2HB SER 12 -7.263 0.807 -5.838 76 HG SER 12 HG SER 12 -5.131 1.653 -7.475 77 H GLU 13 H GLU 13 -3.246 1.696 -5.741 78 HA GLU 13 HA GLU 13 -1.412 -0.149 -6.639 79 2HB GLU 13 2HB GLU 13 -0.902 1.946 -4.556 80 2HG GLU 13 2HG GLU 13 0.986 0.534 -6.013 81 H CYS 14 H CYS 14 -2.009 0.832 -3.231 82 HA CYS 14 HA CYS 14 0.073 -0.577 -1.974 83 2HB CYS 14 2HB CYS 14 -0.988 0.186 -0.010 84 H TRP 15 H TRP 15 -3.195 -1.178 -2.967 85 HA TRP 15 HA TRP 15 -3.726 -3.410 -1.129 86 2HB TRP 15 2HB TRP 15 -5.551 -3.987 -2.614 87 HD1 TRP 15 HD1 TRP 15 -4.695 -1.080 -0.688 88 HE1 TRP 15 HE1 TRP 15 -6.706 0.367 -0.124 89 HE3 TRP 15 HE3 TRP 15 -7.970 -3.003 -4.085 90 HZ2 TRP 15 HZ2 TRP 15 -9.437 0.704 -1.101 91 HZ3 TRP 15 HZ3 TRP 15 -10.271 -2.090 -4.270 92 HH2 TRP 15 HH2 TRP 15 -11.014 -0.244 -2.785 93 H THR 16 H THR 16 -3.119 -3.272 -4.708 94 HA THR 16 HA THR 16 -2.416 -5.994 -4.997 95 HB THR 16 HB THR 16 -1.109 -4.821 -7.026 96 HG1 THR 16 HG1 THR 16 -1.369 -2.689 -5.978 97 1HG2 THR 16 1HG2 THR 16 -3.217 -6.107 -7.254 98 2HG2 THR 16 2HG2 THR 16 -4.140 -4.697 -6.683 99 3HG2 THR 16 3HG2 THR 16 -3.270 -4.625 -8.228 100 H ALA 17 H ALA 17 -0.398 -3.202 -3.892 101 HA ALA 17 HA ALA 17 2.061 -4.624 -4.105 102 1HB ALA 17 1HB ALA 17 2.952 -2.957 -2.538 103 2HB ALA 17 2HB ALA 17 1.889 -2.141 -3.695 104 3HB ALA 17 3HB ALA 17 1.326 -2.478 -2.047 105 H CYS 18 H CYS 18 -0.173 -4.265 -1.328 106 HA CYS 18 HA CYS 18 1.291 -5.965 0.413 107 2HB CYS 18 2HB CYS 18 -1.713 -5.848 0.606 108 H LYS 19 H LYS 19 -1.166 -6.587 -2.097 109 HA LYS 19 HA LYS 19 -1.626 -9.278 -1.431 110 2HB LYS 19 2HB LYS 19 -2.372 -9.368 -3.836 111 2HG LYS 19 2HG LYS 19 -3.396 -6.997 -2.578 112 2HD LYS 19 2HD LYS 19 -4.343 -8.503 -4.710 113 2HE LYS 19 2HE LYS 19 -6.272 -9.758 -4.008 114 1HZ LYS 19 1HZ LYS 19 -4.131 -10.964 -3.619 115 2HZ LYS 19 2HZ LYS 19 -4.279 -10.617 -2.007 116 3HZ LYS 19 3HZ LYS 19 -5.414 -11.518 -2.750 117 H LYS 20 H LYS 20 0.491 -7.795 -3.841 118 HA LYS 20 HA LYS 20 1.795 -10.132 -4.793 119 2HB LYS 20 2HB LYS 20 3.798 -8.290 -5.003 120 2HG LYS 20 2HG LYS 20 2.721 -9.484 -6.853 121 2HD LYS 20 2HD LYS 20 0.743 -7.146 -6.883 122 2HE LYS 20 2HE LYS 20 -0.414 -8.492 -8.618 123 1HZ LYS 20 1HZ LYS 20 1.297 -6.978 -9.400 124 2HZ LYS 20 2HZ LYS 20 2.430 -8.170 -9.319 125 3HZ LYS 20 3HZ LYS 20 1.177 -8.299 -10.371 126 H VAL 21 H VAL 21 2.832 -7.985 -1.956 127 HA VAL 21 HA VAL 21 5.160 -9.438 -1.449 128 HB VAL 21 HB VAL 21 3.249 -7.502 -0.066 129 1HG1 VAL 21 1HG1 VAL 21 5.075 -6.993 1.451 130 2HG1 VAL 21 2HG1 VAL 21 4.268 -8.559 1.645 131 3HG1 VAL 21 3HG1 VAL 21 5.889 -8.495 0.879 132 1HG2 VAL 21 1HG2 VAL 21 4.980 -5.834 -0.613 133 2HG2 VAL 21 2HG2 VAL 21 6.068 -7.112 -1.203 134 3HG2 VAL 21 3HG2 VAL 21 4.606 -6.696 -2.115 135 H THR 22 H THR 22 1.865 -9.363 -0.003 136 HA THR 22 HA THR 22 2.654 -11.568 1.746 137 HB THR 22 HB THR 22 1.958 -8.786 2.243 138 HG1 THR 22 HG1 THR 22 3.789 -10.146 2.941 139 1HG2 THR 22 1HG2 THR 22 -0.194 -9.478 2.883 140 2HG2 THR 22 2HG2 THR 22 0.441 -10.828 3.884 141 3HG2 THR 22 3HG2 THR 22 0.749 -9.137 4.340 142 H GLY 23 H GLY 23 0.000 -10.148 -0.107 143 1HA GLY 23 1HA GLY 23 -1.552 -11.759 -1.117 144 2HA GLY 23 2HA GLY 23 -1.683 -12.594 0.426 145 H SER 24 H SER 24 -1.696 -9.945 1.802 146 HA SER 24 HA SER 24 -4.622 -9.967 2.114 147 2HB SER 24 2HB SER 24 -4.148 -8.775 4.210 148 HG SER 24 HG SER 24 -2.437 -11.000 3.697 149 H GLY 25 H GLY 25 -5.121 -8.815 0.159 150 1HA GLY 25 1HA GLY 25 -3.792 -6.486 -0.621 151 2HA GLY 25 2HA GLY 25 -5.307 -7.078 -1.279 152 H GLN 26 H GLN 26 -4.828 -5.694 2.035 153 HA GLN 26 HA GLN 26 -6.983 -3.733 1.415 154 2HB GLN 26 2HB GLN 26 -7.564 -3.931 3.724 155 2HG GLN 26 2HG GLN 26 -7.153 -6.746 2.655 156 1HE2 GLN 26 1HE2 GLN 26 -9.925 -7.376 2.624 157 2HE2 GLN 26 2HE2 GLN 26 -10.489 -7.361 4.283 158 H GLY 27 H GLY 27 -6.199 -1.559 1.483 159 1HA GLY 27 1HA GLY 27 -4.263 -0.728 3.448 160 2HA GLY 27 2HA GLY 27 -3.514 -1.035 1.853 161 H LYS 28 H LYS 28 -3.037 1.363 2.235 162 HA LYS 28 HA LYS 28 -4.749 2.880 0.507 163 2HB LYS 28 2HB LYS 28 -4.461 3.881 3.389 164 2HG LYS 28 2HG LYS 28 -6.260 4.840 1.118 165 2HD LYS 28 2HD LYS 28 -5.670 6.017 3.867 166 2HE LYS 28 2HE LYS 28 -7.561 6.919 1.626 167 1HZ LYS 28 1HZ LYS 28 -8.379 7.451 3.829 168 2HZ LYS 28 2HZ LYS 28 -6.965 8.204 4.212 169 3HZ LYS 28 3HZ LYS 28 -7.924 8.808 3.026 170 H CYS 29 H CYS 29 -3.639 4.725 -0.289 171 HA CYS 29 HA CYS 29 -0.734 4.529 0.141 172 2HB CYS 29 2HB CYS 29 -1.570 4.674 -2.329 173 H GLN 30 H GLN 30 0.446 6.499 0.652 174 HA GLN 30 HA GLN 30 -1.071 8.690 2.030 175 2HB GLN 30 2HB GLN 30 1.568 7.464 2.893 176 2HG GLN 30 2HG GLN 30 0.850 9.822 3.700 177 1HE2 GLN 30 1HE2 GLN 30 -0.901 10.916 4.627 178 2HE2 GLN 30 2HE2 GLN 30 -2.047 10.183 5.722 179 H ASN 31 H ASN 31 -0.666 10.304 0.426 180 HA ASN 31 HA ASN 31 0.557 11.922 -0.621 181 2HB ASN 31 2HB ASN 31 3.085 12.051 0.122 182 1HD2 ASN 31 1HD2 ASN 31 0.144 11.754 2.213 183 2HD2 ASN 31 2HD2 ASN 31 0.243 13.423 2.771 184 H ASN 32 H ASN 32 3.079 9.487 -0.397 185 HA ASN 32 HA ASN 32 2.800 8.287 -2.796 186 2HB ASN 32 2HB ASN 32 5.485 9.485 -3.231 187 1HD2 ASN 32 1HD2 ASN 32 2.187 10.370 -4.184 188 2HD2 ASN 32 2HD2 ASN 32 2.078 9.170 -5.381 189 H GLN 33 H GLN 33 2.879 7.509 -0.245 190 HA GLN 33 HA GLN 33 4.742 5.380 -0.743 191 2HB GLN 33 2HB GLN 33 5.888 6.654 1.092 192 2HG GLN 33 2HG GLN 33 3.398 5.987 2.748 193 1HE2 GLN 33 1HE2 GLN 33 5.838 4.883 3.673 194 2HE2 GLN 33 2HE2 GLN 33 6.392 5.901 4.981 195 H CYS 34 H CYS 34 3.719 3.569 1.227 196 HA CYS 34 HA CYS 34 0.813 3.760 1.019 197 2HB CYS 34 2HB CYS 34 1.572 1.159 0.131 198 H ARG 35 H ARG 35 -0.361 2.076 2.057 199 HA ARG 35 HA ARG 35 1.101 0.906 4.330 200 2HB ARG 35 2HB ARG 35 -0.462 1.855 5.936 201 2HG ARG 35 2HG ARG 35 0.382 3.959 3.978 202 2HD ARG 35 2HD ARG 35 -1.184 4.838 5.674 203 HE ARG 35 HE ARG 35 0.689 3.584 7.268 204 1HH1 ARG 35 1HH1 ARG 35 -0.654 6.871 7.033 205 2HH1 ARG 35 2HH1 ARG 35 -0.458 7.264 8.708 206 1HH2 ARG 35 1HH2 ARG 35 0.994 4.134 9.581 207 2HH2 ARG 35 2HH2 ARG 35 0.542 5.695 10.177 208 H CYS 36 H CYS 36 -0.102 -0.668 5.396 209 HA CYS 36 HA CYS 36 -2.308 -1.931 3.816 210 2HB CYS 36 2HB CYS 36 0.225 -3.405 4.588 211 H TYR 37 H TYR 37 -3.623 -3.384 4.944 212 HA TYR 37 HA TYR 37 -3.546 -3.329 7.917 213 2HB TYR 37 2HB TYR 37 -5.736 -2.367 6.036 214 HD1 TYR 37 HD1 TYR 37 -5.087 -1.805 9.684 215 HD2 TYR 37 HD2 TYR 37 -7.749 -3.460 6.717 216 HE1 TYR 37 HE1 TYR 37 -6.838 -2.086 11.408 217 HE2 TYR 37 HE2 TYR 37 -9.500 -3.731 8.447 218 HH TYR 37 HH TYR 37 -9.007 -2.752 11.848 Start of MODEL 5 1 1H PHE 1 1H PHE 1 -1.323 0.305 10.589 2 HA PHE 1 HA PHE 1 -0.430 -1.587 11.459 3 2HB PHE 1 2HB PHE 1 -1.603 -3.292 9.224 4 HD1 PHE 1 HD1 PHE 1 0.496 -4.382 10.949 5 HD2 PHE 1 HD2 PHE 1 -3.664 -3.700 11.917 6 HE1 PHE 1 HE1 PHE 1 0.686 -5.903 12.880 7 HE2 PHE 1 HE2 PHE 1 -3.467 -5.263 13.821 8 HZ PHE 1 HZ PHE 1 -1.287 -6.344 14.328 9 H GLY 2 H GLY 2 -0.426 -1.839 8.017 10 1HA GLY 2 1HA GLY 2 2.393 -2.719 7.701 11 2HA GLY 2 2HA GLY 2 1.153 -2.659 6.462 12 H LEU 3 H LEU 3 3.961 -1.213 6.964 13 HA LEU 3 HA LEU 3 3.020 1.160 5.615 14 2HB LEU 3 2HB LEU 3 3.152 1.909 7.986 15 HG LEU 3 HG LEU 3 6.117 1.084 7.727 16 1HD1 LEU 3 1HD1 LEU 3 4.769 2.927 9.805 17 2HD1 LEU 3 2HD1 LEU 3 6.460 2.386 9.805 18 3HD1 LEU 3 3HD1 LEU 3 5.878 3.442 8.510 19 1HD2 LEU 3 1HD2 LEU 3 4.828 -0.707 8.794 20 2HD2 LEU 3 2HD2 LEU 3 5.645 0.166 10.079 21 3HD2 LEU 3 3HD2 LEU 3 3.914 0.436 9.805 22 H ILE 4 H ILE 4 4.208 1.584 3.861 23 HA ILE 4 HA ILE 4 6.573 -0.164 3.505 24 HB ILE 4 HB ILE 4 5.492 -0.984 1.628 25 2HG1 ILE 4 2HG1 ILE 4 4.414 1.659 1.214 26 1HG2 ILE 4 1HG2 ILE 4 4.312 -1.736 3.684 27 2HG2 ILE 4 2HG2 ILE 4 3.099 -0.448 3.459 28 3HG2 ILE 4 3HG2 ILE 4 3.280 -1.732 2.250 29 1HD1 ILE 4 1HD1 ILE 4 5.543 0.094 -0.372 30 2HD1 ILE 4 2HD1 ILE 4 4.070 -0.904 -0.359 31 3HD1 ILE 4 3HD1 ILE 4 4.006 0.768 -0.974 32 H ASP 5 H ASP 5 7.837 0.462 1.506 33 HA ASP 5 HA ASP 5 8.276 3.392 1.528 34 2HB ASP 5 2HB ASP 5 9.952 1.987 2.663 35 H VAL 6 H VAL 6 6.501 1.969 -0.348 36 HA VAL 6 HA VAL 6 7.967 2.435 -2.914 37 HB VAL 6 HB VAL 6 5.796 0.346 -2.606 38 1HG1 VAL 6 1HG1 VAL 6 5.936 1.303 -4.858 39 2HG1 VAL 6 2HG1 VAL 6 7.695 1.038 -4.879 40 3HG1 VAL 6 3HG1 VAL 6 6.583 -0.340 -4.845 41 1HG2 VAL 6 1HG2 VAL 6 7.809 -0.414 -1.386 42 2HG2 VAL 6 2HG2 VAL 6 7.665 -1.286 -2.914 43 3HG2 VAL 6 3HG2 VAL 6 8.833 0.044 -2.761 44 H LYS 7 H LYS 7 7.126 3.813 -4.218 45 HA LYS 7 HA LYS 7 5.432 5.785 -3.595 46 2HB LYS 7 2HB LYS 7 6.969 5.883 -5.433 47 2HG LYS 7 2HG LYS 7 5.049 4.081 -6.997 48 2HD LYS 7 2HD LYS 7 6.875 4.064 -8.661 49 2HE LYS 7 2HE LYS 7 6.028 6.940 -8.010 50 1HZ LYS 7 1HZ LYS 7 6.145 7.209 -10.358 51 2HZ LYS 7 2HZ LYS 7 7.617 6.752 -9.786 52 3HZ LYS 7 3HZ LYS 7 6.663 5.666 -10.582 53 H CYS 8 H CYS 8 3.340 6.482 -3.972 54 HA CYS 8 HA CYS 8 1.249 4.423 -4.781 55 2HB CYS 8 2HB CYS 8 1.274 6.327 -2.727 56 H PHE 9 H PHE 9 0.589 4.659 -6.846 57 HA PHE 9 HA PHE 9 0.298 7.432 -7.917 58 2HB PHE 9 2HB PHE 9 -0.662 4.928 -9.332 59 HD1 PHE 9 HD1 PHE 9 -2.044 6.624 -10.653 60 HD2 PHE 9 HD2 PHE 9 2.256 6.823 -10.455 61 HE1 PHE 9 HE1 PHE 9 -2.011 8.026 -12.699 62 HE2 PHE 9 HE2 PHE 9 2.286 8.221 -12.509 63 HZ PHE 9 HZ PHE 9 0.153 8.815 -13.636 64 H ALA 10 H ALA 10 -1.268 5.190 -5.880 65 HA ALA 10 HA ALA 10 -3.662 6.599 -5.613 66 1HB ALA 10 1HB ALA 10 -3.898 4.022 -7.253 67 2HB ALA 10 2HB ALA 10 -5.263 4.884 -6.512 68 3HB ALA 10 3HB ALA 10 -4.344 5.649 -7.812 69 H SER 11 H SER 11 -5.145 5.230 -4.089 70 HA SER 11 HA SER 11 -3.738 3.704 -2.055 71 2HB SER 11 2HB SER 11 -5.677 4.970 -1.438 72 HG SER 11 HG SER 11 -7.636 4.751 -2.706 73 H SER 12 H SER 12 -5.824 2.860 -4.874 74 HA SER 12 HA SER 12 -6.154 0.188 -4.187 75 2HB SER 12 2HB SER 12 -7.516 1.046 -5.895 76 HG SER 12 HG SER 12 -5.410 1.736 -7.606 77 H GLU 13 H GLU 13 -3.522 1.761 -5.894 78 HA GLU 13 HA GLU 13 -1.703 -0.104 -6.694 79 2HB GLU 13 2HB GLU 13 -1.174 1.982 -4.614 80 2HG GLU 13 2HG GLU 13 0.714 0.455 -5.868 81 H CYS 14 H CYS 14 -2.272 0.906 -3.284 82 HA CYS 14 HA CYS 14 -0.158 -0.471 -2.068 83 2HB CYS 14 2HB CYS 14 -1.205 0.317 -0.075 84 H TRP 15 H TRP 15 -3.416 -1.161 -2.993 85 HA TRP 15 HA TRP 15 -3.848 -3.438 -1.170 86 2HB TRP 15 2HB TRP 15 -5.739 -3.988 -2.573 87 HD1 TRP 15 HD1 TRP 15 -4.852 -1.099 -0.668 88 HE1 TRP 15 HE1 TRP 15 -6.853 0.360 -0.080 89 HE3 TRP 15 HE3 TRP 15 -8.183 -3.027 -3.996 90 HZ2 TRP 15 HZ2 TRP 15 -9.575 0.747 -1.059 91 HZ3 TRP 15 HZ3 TRP 15 -10.464 -2.059 -4.203 92 HH2 TRP 15 HH2 TRP 15 -11.170 -0.185 -2.734 93 H THR 16 H THR 16 -3.299 -3.151 -4.748 94 HA THR 16 HA THR 16 -2.595 -5.876 -5.180 95 HB THR 16 HB THR 16 -1.329 -4.560 -7.168 96 HG1 THR 16 HG1 THR 16 -1.689 -2.498 -6.114 97 1HG2 THR 16 1HG2 THR 16 -3.337 -5.987 -7.449 98 2HG2 THR 16 2HG2 THR 16 -4.361 -4.664 -6.832 99 3HG2 THR 16 3HG2 THR 16 -3.493 -4.477 -8.366 100 H ALA 17 H ALA 17 -0.637 -3.111 -3.957 101 HA ALA 17 HA ALA 17 1.852 -4.452 -4.332 102 1HB ALA 17 1HB ALA 17 2.766 -2.784 -2.777 103 2HB ALA 17 2HB ALA 17 1.639 -1.985 -3.886 104 3HB ALA 17 3HB ALA 17 1.149 -2.343 -2.218 105 H CYS 18 H CYS 18 -0.188 -4.128 -1.406 106 HA CYS 18 HA CYS 18 1.362 -5.825 0.218 107 2HB CYS 18 2HB CYS 18 -1.610 -5.917 0.578 108 H LYS 19 H LYS 19 -1.203 -6.505 -2.143 109 HA LYS 19 HA LYS 19 -1.476 -9.250 -1.547 110 2HB LYS 19 2HB LYS 19 -2.333 -9.197 -4.012 111 2HG LYS 19 2HG LYS 19 -3.629 -7.173 -2.451 112 2HD LYS 19 2HD LYS 19 -5.562 -8.958 -2.595 113 2HE LYS 19 2HE LYS 19 -5.992 -8.765 -5.058 114 1HZ LYS 19 1HZ LYS 19 -5.164 -6.222 -3.828 115 2HZ LYS 19 2HZ LYS 19 -6.212 -6.406 -5.083 116 3HZ LYS 19 3HZ LYS 19 -6.615 -6.960 -3.589 117 H LYS 20 H LYS 20 0.329 -7.633 -4.110 118 HA LYS 20 HA LYS 20 1.621 -9.898 -5.213 119 2HB LYS 20 2HB LYS 20 3.416 -8.212 -5.909 120 2HG LYS 20 2HG LYS 20 0.476 -7.787 -6.545 121 2HD LYS 20 2HD LYS 20 2.043 -5.808 -7.177 122 2HE LYS 20 2HE LYS 20 3.036 -6.038 -9.433 123 1HZ LYS 20 1HZ LYS 20 4.192 -8.125 -7.719 124 2HZ LYS 20 2HZ LYS 20 4.948 -7.315 -8.930 125 3HZ LYS 20 3HZ LYS 20 4.506 -6.516 -7.563 126 H VAL 21 H VAL 21 2.731 -7.855 -2.335 127 HA VAL 21 HA VAL 21 5.185 -9.215 -2.082 128 HB VAL 21 HB VAL 21 3.322 -7.406 -0.482 129 1HG1 VAL 21 1HG1 VAL 21 4.469 -8.537 1.083 130 2HG1 VAL 21 2HG1 VAL 21 6.037 -8.391 0.229 131 3HG1 VAL 21 3HG1 VAL 21 5.235 -6.946 0.946 132 1HG2 VAL 21 1HG2 VAL 21 4.975 -5.662 -1.039 133 2HG2 VAL 21 2HG2 VAL 21 6.046 -6.874 -1.779 134 3HG2 VAL 21 3HG2 VAL 21 4.518 -6.445 -2.564 135 H THR 22 H THR 22 2.088 -9.195 -0.129 136 HA THR 22 HA THR 22 3.077 -11.578 1.195 137 HB THR 22 HB THR 22 1.902 -8.956 1.999 138 HG1 THR 22 HG1 THR 22 3.436 -9.318 3.651 139 1HG2 THR 22 1HG2 THR 22 1.394 -11.491 3.563 140 2HG2 THR 22 2HG2 THR 22 1.250 -9.827 4.203 141 3HG2 THR 22 3HG2 THR 22 0.217 -10.345 2.863 142 H GLY 23 H GLY 23 0.164 -10.011 -0.162 143 1HA GLY 23 1HA GLY 23 -1.514 -11.547 -1.201 144 2HA GLY 23 2HA GLY 23 -1.454 -12.516 0.268 145 H SER 24 H SER 24 -1.175 -9.702 1.676 146 HA SER 24 HA SER 24 -3.983 -9.946 2.546 147 2HB SER 24 2HB SER 24 -1.749 -8.310 3.821 148 HG SER 24 HG SER 24 -3.472 -7.840 4.982 149 H GLY 25 H GLY 25 -4.656 -8.980 0.478 150 1HA GLY 25 1HA GLY 25 -3.674 -6.623 -0.516 151 2HA GLY 25 2HA GLY 25 -5.210 -7.349 -0.966 152 H GLN 26 H GLN 26 -4.718 -5.830 2.219 153 HA GLN 26 HA GLN 26 -6.944 -3.947 1.619 154 2HB GLN 26 2HB GLN 26 -7.333 -4.161 4.079 155 2HG GLN 26 2HG GLN 26 -6.996 -6.942 2.875 156 1HE2 GLN 26 1HE2 GLN 26 -9.762 -7.588 3.011 157 2HE2 GLN 26 2HE2 GLN 26 -10.210 -7.611 4.708 158 H GLY 27 H GLY 27 -6.232 -1.738 1.624 159 1HA GLY 27 1HA GLY 27 -4.380 -0.766 3.583 160 2HA GLY 27 2HA GLY 27 -3.564 -1.068 2.024 161 H LYS 28 H LYS 28 -3.231 1.350 2.301 162 HA LYS 28 HA LYS 28 -4.888 2.692 0.396 163 2HB LYS 28 2HB LYS 28 -4.903 3.933 3.202 164 2HG LYS 28 2HG LYS 28 -6.647 4.372 0.740 165 2HD LYS 28 2HD LYS 28 -6.649 5.838 3.405 166 2HE LYS 28 2HE LYS 28 -8.475 6.009 0.946 167 1HZ LYS 28 1HZ LYS 28 -9.524 7.782 2.124 168 2HZ LYS 28 2HZ LYS 28 -9.657 6.400 2.998 169 3HZ LYS 28 3HZ LYS 28 -8.577 7.559 3.447 170 H CYS 29 H CYS 29 -3.855 4.696 -0.265 171 HA CYS 29 HA CYS 29 -0.974 4.485 0.288 172 2HB CYS 29 2HB CYS 29 -1.855 4.818 -2.215 173 H GLN 30 H GLN 30 0.212 6.545 0.669 174 HA GLN 30 HA GLN 30 -1.329 8.806 1.790 175 2HB GLN 30 2HB GLN 30 1.120 7.676 3.163 176 2HG GLN 30 2HG GLN 30 -1.147 9.490 4.091 177 1HE2 GLN 30 1HE2 GLN 30 -0.534 10.605 6.221 178 2HE2 GLN 30 2HE2 GLN 30 0.163 9.579 7.454 179 H ASN 31 H ASN 31 -0.653 10.393 0.405 180 HA ASN 31 HA ASN 31 0.717 11.985 -0.365 181 2HB ASN 31 2HB ASN 31 3.117 10.724 1.042 182 1HD2 ASN 31 1HD2 ASN 31 3.074 13.153 2.784 183 2HD2 ASN 31 2HD2 ASN 31 3.638 14.431 1.723 184 H ASN 32 H ASN 32 2.934 9.282 -0.321 185 HA ASN 32 HA ASN 32 2.695 8.262 -2.730 186 2HB ASN 32 2HB ASN 32 5.425 9.387 -3.173 187 1HD2 ASN 32 1HD2 ASN 32 2.128 10.302 -4.106 188 2HD2 ASN 32 2HD2 ASN 32 2.009 9.080 -5.295 189 H GLN 33 H GLN 33 2.719 7.335 -0.235 190 HA GLN 33 HA GLN 33 4.447 5.163 -0.752 191 2HB GLN 33 2HB GLN 33 4.954 4.958 1.731 192 2HG GLN 33 2HG GLN 33 6.674 6.633 2.089 193 1HE2 GLN 33 1HE2 GLN 33 8.824 6.727 0.942 194 2HE2 GLN 33 2HE2 GLN 33 9.114 5.434 -0.215 195 H CYS 34 H CYS 34 3.447 3.509 1.350 196 HA CYS 34 HA CYS 34 0.550 3.850 1.336 197 2HB CYS 34 2HB CYS 34 1.055 1.224 0.416 198 H ARG 35 H ARG 35 -0.590 2.261 2.496 199 HA ARG 35 HA ARG 35 1.002 0.856 4.528 200 2HB ARG 35 2HB ARG 35 -0.753 1.685 6.240 201 2HG ARG 35 2HG ARG 35 0.887 3.821 4.901 202 2HD ARG 35 2HD ARG 35 0.490 3.414 7.896 203 HE ARG 35 HE ARG 35 0.723 5.921 6.278 204 1HH1 ARG 35 1HH1 ARG 35 2.352 3.792 8.588 205 2HH1 ARG 35 2HH1 ARG 35 3.590 4.936 9.008 206 1HH2 ARG 35 1HH2 ARG 35 2.243 7.428 6.836 207 2HH2 ARG 35 2HH2 ARG 35 3.566 7.096 7.940 208 H CYS 36 H CYS 36 -0.124 -0.826 5.592 209 HA CYS 36 HA CYS 36 -2.416 -1.907 3.974 210 2HB CYS 36 2HB CYS 36 0.224 -3.305 4.492 211 H TYR 37 H TYR 37 -3.444 -3.856 5.026 212 HA TYR 37 HA TYR 37 -3.338 -3.854 8.010 213 2HB TYR 37 2HB TYR 37 -5.709 -4.739 7.754 214 HD1 TYR 37 HD1 TYR 37 -5.863 -2.103 5.261 215 HD2 TYR 37 HD2 TYR 37 -5.518 -2.877 9.486 216 HE1 TYR 37 HE1 TYR 37 -6.446 0.234 5.721 217 HE2 TYR 37 HE2 TYR 37 -6.093 -0.511 9.961 218 HH TYR 37 HH TYR 37 -6.768 1.849 7.363 Start of MODEL 6 1 1H PHE 1 1H PHE 1 0.915 -0.848 11.732 2 HA PHE 1 HA PHE 1 -0.671 -2.793 10.630 3 2HB PHE 1 2HB PHE 1 -2.049 -1.412 9.000 4 HD1 PHE 1 HD1 PHE 1 -3.333 0.949 11.044 5 HD2 PHE 1 HD2 PHE 1 -2.829 -3.332 10.998 6 HE1 PHE 1 HE1 PHE 1 -5.303 0.697 12.530 7 HE2 PHE 1 HE2 PHE 1 -4.814 -3.579 12.462 8 HZ PHE 1 HZ PHE 1 -6.051 -1.566 13.232 9 H GLY 2 H GLY 2 -0.469 -2.535 8.051 10 1HA GLY 2 1HA GLY 2 2.182 -2.640 7.259 11 2HA GLY 2 2HA GLY 2 0.836 -2.225 6.225 12 H LEU 3 H LEU 3 3.820 -1.099 6.892 13 HA LEU 3 HA LEU 3 2.985 1.198 5.491 14 2HB LEU 3 2HB LEU 3 2.954 2.220 7.759 15 HG LEU 3 HG LEU 3 5.871 1.238 7.831 16 1HD1 LEU 3 1HD1 LEU 3 6.190 2.872 9.700 17 2HD1 LEU 3 2HD1 LEU 3 5.828 3.704 8.178 18 3HD1 LEU 3 3HD1 LEU 3 4.568 3.548 9.424 19 1HD2 LEU 3 1HD2 LEU 3 5.230 0.738 10.237 20 2HD2 LEU 3 2HD2 LEU 3 3.552 1.191 9.886 21 3HD2 LEU 3 3HD2 LEU 3 4.297 -0.206 9.081 22 H ILE 4 H ILE 4 4.246 1.620 3.824 23 HA ILE 4 HA ILE 4 6.794 0.127 3.639 24 HB ILE 4 HB ILE 4 5.914 -0.769 1.661 25 2HG1 ILE 4 2HG1 ILE 4 4.656 1.770 1.160 26 1HG2 ILE 4 1HG2 ILE 4 4.637 -1.655 3.613 27 2HG2 ILE 4 2HG2 ILE 4 3.343 -0.469 3.305 28 3HG2 ILE 4 3HG2 ILE 4 3.726 -1.710 2.097 29 1HD1 ILE 4 1HD1 ILE 4 4.379 0.842 -1.020 30 2HD1 ILE 4 2HD1 ILE 4 5.974 0.352 -0.383 31 3HD1 ILE 4 3HD1 ILE 4 4.626 -0.814 -0.404 32 H ASP 5 H ASP 5 7.733 1.046 1.297 33 HA ASP 5 HA ASP 5 6.844 3.787 0.815 34 2HB ASP 5 2HB ASP 5 9.811 3.343 1.248 35 H VAL 6 H VAL 6 5.934 2.991 -0.911 36 HA VAL 6 HA VAL 6 7.757 3.055 -3.201 37 HB VAL 6 HB VAL 6 5.515 0.989 -3.056 38 1HG1 VAL 6 1HG1 VAL 6 6.252 0.373 -5.356 39 2HG1 VAL 6 2HG1 VAL 6 5.535 1.982 -5.291 40 3HG1 VAL 6 3HG1 VAL 6 7.304 1.803 -5.382 41 1HG2 VAL 6 1HG2 VAL 6 8.534 0.679 -3.408 42 2HG2 VAL 6 2HG2 VAL 6 7.609 0.190 -1.977 43 3HG2 VAL 6 3HG2 VAL 6 7.348 -0.637 -3.509 44 H LYS 7 H LYS 7 6.990 4.350 -4.770 45 HA LYS 7 HA LYS 7 5.279 6.424 -4.196 46 2HB LYS 7 2HB LYS 7 6.817 6.884 -5.789 47 2HG LYS 7 2HG LYS 7 6.294 5.540 -8.150 48 2HD LYS 7 2HD LYS 7 8.425 4.959 -6.037 49 2HE LYS 7 2HE LYS 7 8.382 4.375 -9.042 50 1HZ LYS 7 1HZ LYS 7 10.492 3.872 -7.041 51 2HZ LYS 7 2HZ LYS 7 10.528 3.414 -8.618 52 3HZ LYS 7 3HZ LYS 7 10.554 5.009 -8.229 53 H CYS 8 H CYS 8 3.223 6.186 -3.560 54 HA CYS 8 HA CYS 8 1.189 4.597 -4.957 55 2HB CYS 8 2HB CYS 8 1.142 5.434 -2.650 56 H PHE 9 H PHE 9 0.422 5.136 -6.951 57 HA PHE 9 HA PHE 9 -0.117 7.998 -7.632 58 2HB PHE 9 2HB PHE 9 -1.415 6.779 -9.515 59 HD1 PHE 9 HD1 PHE 9 2.106 5.557 -9.033 60 HD2 PHE 9 HD2 PHE 9 -0.493 8.421 -10.947 61 HE1 PHE 9 HE1 PHE 9 4.024 6.444 -10.338 62 HE2 PHE 9 HE2 PHE 9 1.415 9.275 -12.271 63 HZ PHE 9 HZ PHE 9 3.682 8.301 -11.960 64 H ALA 10 H ALA 10 -1.422 5.204 -5.921 65 HA ALA 10 HA ALA 10 -3.789 6.619 -5.126 66 1HB ALA 10 1HB ALA 10 -4.102 4.302 -7.103 67 2HB ALA 10 2HB ALA 10 -5.425 5.068 -6.202 68 3HB ALA 10 3HB ALA 10 -4.544 5.994 -7.422 69 H SER 11 H SER 11 -5.199 5.032 -3.785 70 HA SER 11 HA SER 11 -3.643 3.482 -1.949 71 2HB SER 11 2HB SER 11 -5.698 4.475 -1.185 72 HG SER 11 HG SER 11 -7.627 4.278 -2.452 73 H SER 12 H SER 12 -5.738 2.589 -4.739 74 HA SER 12 HA SER 12 -5.803 -0.117 -4.131 75 2HB SER 12 2HB SER 12 -5.950 1.038 -6.937 76 HG SER 12 HG SER 12 -7.250 -0.839 -7.235 77 H GLU 13 H GLU 13 -3.301 1.614 -5.831 78 HA GLU 13 HA GLU 13 -1.369 -0.135 -6.625 79 2HB GLU 13 2HB GLU 13 -1.019 1.950 -4.504 80 2HG GLU 13 2HG GLU 13 0.953 0.637 -5.987 81 H CYS 14 H CYS 14 -2.083 0.768 -3.208 82 HA CYS 14 HA CYS 14 0.029 -0.611 -1.953 83 2HB CYS 14 2HB CYS 14 -1.053 0.099 0.006 84 H TRP 15 H TRP 15 -3.205 -1.280 -3.002 85 HA TRP 15 HA TRP 15 -3.686 -3.584 -1.225 86 2HB TRP 15 2HB TRP 15 -5.511 -4.147 -2.722 87 HD1 TRP 15 HD1 TRP 15 -4.797 -1.423 -0.615 88 HE1 TRP 15 HE1 TRP 15 -6.741 0.202 -0.242 89 HE3 TRP 15 HE3 TRP 15 -7.695 -2.845 -4.511 90 HZ2 TRP 15 HZ2 TRP 15 -9.171 0.962 -1.668 91 HZ3 TRP 15 HZ3 TRP 15 -9.564 -1.378 -5.258 92 HH2 TRP 15 HH2 TRP 15 -10.417 0.415 -3.757 93 H THR 16 H THR 16 -2.996 -3.250 -4.789 94 HA THR 16 HA THR 16 -2.249 -5.951 -5.189 95 HB THR 16 HB THR 16 -0.887 -4.674 -7.112 96 HG1 THR 16 HG1 THR 16 -1.234 -2.596 -6.027 97 1HG2 THR 16 1HG2 THR 16 -3.929 -4.657 -6.887 98 2HG2 THR 16 2HG2 THR 16 -3.003 -4.494 -8.389 99 3HG2 THR 16 3HG2 THR 16 -2.936 -6.013 -7.478 100 H ALA 17 H ALA 17 -0.320 -3.182 -3.901 101 HA ALA 17 HA ALA 17 2.173 -4.545 -4.061 102 1HB ALA 17 1HB ALA 17 1.311 -2.509 -1.950 103 2HB ALA 17 2HB ALA 17 2.965 -2.938 -2.400 104 3HB ALA 17 3HB ALA 17 1.928 -2.095 -3.561 105 H CYS 18 H CYS 18 -0.164 -4.343 -1.320 106 HA CYS 18 HA CYS 18 1.301 -6.160 0.304 107 2HB CYS 18 2HB CYS 18 -1.590 -6.364 0.737 108 H LYS 19 H LYS 19 -1.087 -6.644 -2.299 109 HA LYS 19 HA LYS 19 -1.549 -9.354 -1.728 110 2HB LYS 19 2HB LYS 19 -2.193 -9.366 -4.187 111 2HG LYS 19 2HG LYS 19 -3.456 -7.126 -2.871 112 2HD LYS 19 2HD LYS 19 -5.504 -8.444 -3.280 113 2HE LYS 19 2HE LYS 19 -3.766 -8.336 -5.802 114 1HZ LYS 19 1HZ LYS 19 -5.859 -8.202 -6.939 115 2HZ LYS 19 2HZ LYS 19 -5.773 -9.618 -6.111 116 3HZ LYS 19 3HZ LYS 19 -6.701 -8.385 -5.537 117 H LYS 20 H LYS 20 0.673 -7.740 -3.936 118 HA LYS 20 HA LYS 20 2.012 -10.051 -4.941 119 2HB LYS 20 2HB LYS 20 3.910 -8.482 -5.424 120 2HG LYS 20 2HG LYS 20 1.076 -7.881 -6.326 121 2HD LYS 20 2HD LYS 20 2.390 -5.850 -6.811 122 2HE LYS 20 2HE LYS 20 4.110 -6.168 -8.747 123 1HZ LYS 20 1HZ LYS 20 4.839 -5.439 -6.612 124 2HZ LYS 20 2HZ LYS 20 4.948 -6.978 -6.050 125 3HZ LYS 20 3HZ LYS 20 5.941 -6.476 -7.256 126 H VAL 21 H VAL 21 2.765 -8.121 -1.866 127 HA VAL 21 HA VAL 21 5.129 -9.547 -1.320 128 HB VAL 21 HB VAL 21 3.052 -7.811 0.080 129 1HG1 VAL 21 1HG1 VAL 21 5.598 -8.879 1.172 130 2HG1 VAL 21 2HG1 VAL 21 4.704 -7.458 1.824 131 3HG1 VAL 21 3HG1 VAL 21 3.911 -9.042 1.762 132 1HG2 VAL 21 1HG2 VAL 21 4.585 -6.762 -1.719 133 2HG2 VAL 21 2HG2 VAL 21 4.784 -6.064 -0.101 134 3HG2 VAL 21 3HG2 VAL 21 5.955 -7.256 -0.713 135 H THR 22 H THR 22 1.803 -9.564 0.030 136 HA THR 22 HA THR 22 2.450 -12.110 1.321 137 HB THR 22 HB THR 22 2.505 -10.615 3.032 138 HG1 THR 22 HG1 THR 22 1.053 -12.433 3.344 139 1HG2 THR 22 1HG2 THR 22 -0.099 -9.333 2.117 140 2HG2 THR 22 2HG2 THR 22 0.778 -8.977 3.613 141 3HG2 THR 22 3HG2 THR 22 1.523 -8.594 2.062 142 H GLY 23 H GLY 23 -0.138 -10.294 -0.291 143 1HA GLY 23 1HA GLY 23 -1.670 -11.670 -1.718 144 2HA GLY 23 2HA GLY 23 -1.846 -12.784 -0.369 145 H SER 24 H SER 24 -1.773 -10.317 1.441 146 HA SER 24 HA SER 24 -4.709 -10.368 1.664 147 2HB SER 24 2HB SER 24 -2.849 -9.192 3.740 148 HG SER 24 HG SER 24 -5.241 -10.767 3.813 149 H GLY 25 H GLY 25 -4.921 -9.051 -0.184 150 1HA GLY 25 1HA GLY 25 -3.618 -6.741 -0.784 151 2HA GLY 25 2HA GLY 25 -5.170 -7.236 -1.424 152 H GLN 26 H GLN 26 -4.641 -5.850 1.886 153 HA GLN 26 HA GLN 26 -6.778 -3.898 1.176 154 2HB GLN 26 2HB GLN 26 -7.599 -4.255 3.389 155 2HG GLN 26 2HG GLN 26 -6.889 -6.984 2.257 156 1HE2 GLN 26 1HE2 GLN 26 -10.203 -6.417 2.260 157 2HE2 GLN 26 2HE2 GLN 26 -10.561 -7.122 3.826 158 H GLY 27 H GLY 27 -6.177 -1.729 1.425 159 1HA GLY 27 1HA GLY 27 -4.589 -0.771 3.612 160 2HA GLY 27 2HA GLY 27 -3.620 -0.941 2.118 161 H LYS 28 H LYS 28 -3.476 1.483 2.629 162 HA LYS 28 HA LYS 28 -4.922 2.707 0.471 163 2HB LYS 28 2HB LYS 28 -5.436 4.799 1.737 164 2HG LYS 28 2HG LYS 28 -6.912 2.482 3.040 165 2HD LYS 28 2HD LYS 28 -7.746 5.304 2.232 166 2HE LYS 28 2HE LYS 28 -9.280 3.079 3.676 167 1HZ LYS 28 1HZ LYS 28 -9.908 5.281 4.408 168 2HZ LYS 28 2HZ LYS 28 -10.180 5.765 2.856 169 3HZ LYS 28 3HZ LYS 28 -11.115 4.595 3.530 170 H CYS 29 H CYS 29 -3.782 4.772 -0.146 171 HA CYS 29 HA CYS 29 -0.891 4.333 0.298 172 2HB CYS 29 2HB CYS 29 -1.772 4.746 -2.166 173 H GLN 30 H GLN 30 0.448 6.150 0.896 174 HA GLN 30 HA GLN 30 -0.891 8.367 2.385 175 2HB GLN 30 2HB GLN 30 1.763 7.236 3.229 176 2HG GLN 30 2HG GLN 30 0.565 9.386 4.195 177 1HE2 GLN 30 1HE2 GLN 30 -1.853 9.226 4.308 178 2HE2 GLN 30 2HE2 GLN 30 -2.588 8.486 5.710 179 H ASN 31 H ASN 31 -0.480 9.971 0.809 180 HA ASN 31 HA ASN 31 0.759 11.650 0.012 181 2HB ASN 31 2HB ASN 31 3.314 10.536 1.255 182 1HD2 ASN 31 1HD2 ASN 31 1.353 13.437 1.956 183 2HD2 ASN 31 2HD2 ASN 31 2.550 14.542 1.300 184 H ASN 32 H ASN 32 3.402 9.299 -0.239 185 HA ASN 32 HA ASN 32 2.627 8.211 -2.738 186 2HB ASN 32 2HB ASN 32 4.757 8.722 -4.022 187 1HD2 ASN 32 1HD2 ASN 32 2.390 9.226 -4.820 188 2HD2 ASN 32 2HD2 ASN 32 1.946 10.906 -4.562 189 H GLN 33 H GLN 33 2.827 7.305 -0.207 190 HA GLN 33 HA GLN 33 4.776 5.137 -0.467 191 2HB GLN 33 2HB GLN 33 5.009 5.155 1.974 192 2HG GLN 33 2HG GLN 33 6.489 6.728 0.328 193 1HE2 GLN 33 1HE2 GLN 33 6.866 8.399 3.253 194 2HE2 GLN 33 2HE2 GLN 33 6.197 9.946 2.752 195 H CYS 34 H CYS 34 3.601 3.439 1.455 196 HA CYS 34 HA CYS 34 0.729 3.659 1.161 197 2HB CYS 34 2HB CYS 34 1.532 1.094 0.090 198 H ARG 35 H ARG 35 -0.501 2.091 2.206 199 HA ARG 35 HA ARG 35 0.944 0.778 4.447 200 2HB ARG 35 2HB ARG 35 -0.709 1.891 5.979 201 2HG ARG 35 2HG ARG 35 0.997 3.677 4.278 202 2HD ARG 35 2HD ARG 35 -0.512 4.821 5.991 203 HE ARG 35 HE ARG 35 0.815 2.885 7.483 204 1HH1 ARG 35 1HH1 ARG 35 -0.025 6.319 7.738 205 2HH1 ARG 35 2HH1 ARG 35 0.176 6.439 9.459 206 1HH2 ARG 35 1HH2 ARG 35 1.056 2.993 9.842 207 2HH2 ARG 35 2HH2 ARG 35 0.780 4.478 10.698 208 H CYS 36 H CYS 36 0.312 -1.207 4.424 209 HA CYS 36 HA CYS 36 -2.460 -1.933 3.696 210 2HB CYS 36 2HB CYS 36 -1.865 -3.942 3.507 211 H TYR 37 H TYR 37 -3.621 -3.271 5.116 212 HA TYR 37 HA TYR 37 -4.117 -1.938 7.604 213 2HB TYR 37 2HB TYR 37 -5.702 -3.145 5.917 214 HD1 TYR 37 HD1 TYR 37 -3.989 -5.247 5.165 215 HD2 TYR 37 HD2 TYR 37 -6.775 -5.237 8.473 216 HE1 TYR 37 HE1 TYR 37 -4.199 -7.671 4.995 217 HE2 TYR 37 HE2 TYR 37 -6.924 -7.707 8.325 218 HH TYR 37 HH TYR 37 -5.273 -9.544 5.750 Start of MODEL 7 1 1H PHE 1 1H PHE 1 0.701 -2.274 11.366 2 HA PHE 1 HA PHE 1 -0.877 -3.314 9.204 3 2HB PHE 1 2HB PHE 1 -2.263 -1.510 9.095 4 HD1 PHE 1 HD1 PHE 1 -3.198 -0.212 10.887 5 HD2 PHE 1 HD2 PHE 1 0.971 0.312 9.914 6 HE1 PHE 1 HE1 PHE 1 -2.988 1.478 12.681 7 HE2 PHE 1 HE2 PHE 1 1.212 1.838 11.855 8 HZ PHE 1 HZ PHE 1 -0.782 2.500 13.176 9 H GLY 2 H GLY 2 0.122 -3.028 7.209 10 1HA GLY 2 1HA GLY 2 2.861 -2.781 6.686 11 2HA GLY 2 2HA GLY 2 1.547 -2.375 5.622 12 H LEU 3 H LEU 3 4.250 -0.962 6.740 13 HA LEU 3 HA LEU 3 3.074 1.252 5.451 14 2HB LEU 3 2HB LEU 3 3.021 2.169 7.764 15 HG LEU 3 HG LEU 3 6.038 1.600 7.620 16 1HD1 LEU 3 1HD1 LEU 3 6.276 3.224 9.508 17 2HD1 LEU 3 2HD1 LEU 3 5.713 4.023 8.034 18 3HD1 LEU 3 3HD1 LEU 3 4.571 3.693 9.355 19 1HD2 LEU 3 1HD2 LEU 3 3.908 1.232 9.844 20 2HD2 LEU 3 2HD2 LEU 3 4.717 -0.060 8.931 21 3HD2 LEU 3 3HD2 LEU 3 5.648 0.948 10.035 22 H ILE 4 H ILE 4 4.167 1.635 3.671 23 HA ILE 4 HA ILE 4 6.812 0.363 3.430 24 HB ILE 4 HB ILE 4 5.915 -0.864 1.666 25 2HG1 ILE 4 2HG1 ILE 4 4.353 1.387 0.934 26 1HG2 ILE 4 1HG2 ILE 4 3.479 -0.668 3.518 27 2HG2 ILE 4 2HG2 ILE 4 3.908 -2.000 2.431 28 3HG2 ILE 4 3HG2 ILE 4 4.937 -1.649 3.826 29 1HD1 ILE 4 1HD1 ILE 4 4.272 -1.462 -0.085 30 2HD1 ILE 4 2HD1 ILE 4 3.805 0.017 -0.966 31 3HD1 ILE 4 3HD1 ILE 4 5.516 -0.265 -0.524 32 H ASP 5 H ASP 5 7.913 1.119 1.430 33 HA ASP 5 HA ASP 5 7.900 4.041 1.465 34 2HB ASP 5 2HB ASP 5 9.959 2.693 1.785 35 H VAL 6 H VAL 6 6.573 1.545 -0.578 36 HA VAL 6 HA VAL 6 7.652 2.565 -2.983 37 HB VAL 6 HB VAL 6 5.325 0.655 -2.638 38 1HG1 VAL 6 1HG1 VAL 6 5.263 1.571 -4.899 39 2HG1 VAL 6 2HG1 VAL 6 7.013 1.307 -5.087 40 3HG1 VAL 6 3HG1 VAL 6 5.902 -0.071 -4.945 41 1HG2 VAL 6 1HG2 VAL 6 7.071 -1.061 -3.064 42 2HG2 VAL 6 2HG2 VAL 6 8.307 0.205 -3.190 43 3HG2 VAL 6 3HG2 VAL 6 7.521 -0.116 -1.640 44 H LYS 7 H LYS 7 7.037 3.967 -4.419 45 HA LYS 7 HA LYS 7 5.379 6.067 -3.897 46 2HB LYS 7 2HB LYS 7 7.165 6.219 -5.423 47 2HG LYS 7 2HG LYS 7 5.548 4.700 -7.511 48 2HD LYS 7 2HD LYS 7 8.425 5.682 -7.427 49 2HE LYS 7 2HE LYS 7 6.735 4.452 -9.671 50 1HZ LYS 7 1HZ LYS 7 8.776 4.494 -10.896 51 2HZ LYS 7 2HZ LYS 7 8.371 6.029 -10.466 52 3HZ LYS 7 3HZ LYS 7 9.575 5.239 -9.667 53 H CYS 8 H CYS 8 3.297 5.827 -3.328 54 HA CYS 8 HA CYS 8 1.287 4.253 -4.682 55 2HB CYS 8 2HB CYS 8 1.272 5.885 -2.497 56 H PHE 9 H PHE 9 0.467 4.554 -6.630 57 HA PHE 9 HA PHE 9 0.332 7.264 -7.860 58 2HB PHE 9 2HB PHE 9 -0.910 4.804 -9.079 59 HD1 PHE 9 HD1 PHE 9 -2.221 6.083 -10.696 60 HD2 PHE 9 HD2 PHE 9 1.932 7.045 -10.042 61 HE1 PHE 9 HE1 PHE 9 -2.245 7.554 -12.688 62 HE2 PHE 9 HE2 PHE 9 1.893 8.540 -12.021 63 HZ PHE 9 HZ PHE 9 -0.191 8.784 -13.357 64 H ALA 10 H ALA 10 -1.326 5.139 -5.714 65 HA ALA 10 HA ALA 10 -3.521 6.659 -5.126 66 1HB ALA 10 1HB ALA 10 -4.150 4.577 -7.283 67 2HB ALA 10 2HB ALA 10 -5.372 5.325 -6.237 68 3HB ALA 10 3HB ALA 10 -4.475 6.324 -7.382 69 H SER 11 H SER 11 -4.850 5.474 -3.558 70 HA SER 11 HA SER 11 -3.684 3.520 -1.991 71 2HB SER 11 2HB SER 11 -6.156 3.057 -1.333 72 HG SER 11 HG SER 11 -6.314 5.382 -0.685 73 H SER 12 H SER 12 -5.645 2.895 -4.958 74 HA SER 12 HA SER 12 -6.006 0.150 -4.420 75 2HB SER 12 2HB SER 12 -7.424 1.103 -6.006 76 HG SER 12 HG SER 12 -5.269 2.109 -7.531 77 H GLU 13 H GLU 13 -3.208 1.933 -5.576 78 HA GLU 13 HA GLU 13 -1.718 -0.132 -6.863 79 2HB GLU 13 2HB GLU 13 -0.782 1.933 -4.931 80 2HG GLU 13 2HG GLU 13 1.087 2.315 -6.678 81 H CYS 14 H CYS 14 -1.885 1.016 -3.475 82 HA CYS 14 HA CYS 14 -0.017 -0.524 -2.203 83 2HB CYS 14 2HB CYS 14 -1.120 0.115 -0.238 84 H TRP 15 H TRP 15 -3.198 -1.168 -3.345 85 HA TRP 15 HA TRP 15 -3.747 -3.414 -1.539 86 2HB TRP 15 2HB TRP 15 -5.544 -4.011 -3.090 87 HD1 TRP 15 HD1 TRP 15 -4.783 -1.160 -1.040 88 HE1 TRP 15 HE1 TRP 15 -6.832 0.232 -0.482 89 HE3 TRP 15 HE3 TRP 15 -7.958 -3.144 -4.457 90 HZ2 TRP 15 HZ2 TRP 15 -9.574 0.503 -1.478 91 HZ3 TRP 15 HZ3 TRP 15 -10.280 -2.264 -4.705 92 HH2 TRP 15 HH2 TRP 15 -11.099 -0.464 -3.198 93 H THR 16 H THR 16 -3.082 -3.294 -5.102 94 HA THR 16 HA THR 16 -2.278 -5.986 -5.360 95 HB THR 16 HB THR 16 -0.915 -4.744 -7.322 96 HG1 THR 16 HG1 THR 16 -1.408 -2.636 -6.350 97 1HG2 THR 16 1HG2 THR 16 -3.017 -4.747 -8.640 98 2HG2 THR 16 2HG2 THR 16 -2.888 -6.210 -7.646 99 3HG2 THR 16 3HG2 THR 16 -3.960 -4.881 -7.142 100 H ALA 17 H ALA 17 -0.417 -3.111 -4.148 101 HA ALA 17 HA ALA 17 2.072 -4.480 -4.269 102 1HB ALA 17 1HB ALA 17 1.294 -2.301 -2.297 103 2HB ALA 17 2HB ALA 17 2.923 -2.745 -2.823 104 3HB ALA 17 3HB ALA 17 1.799 -2.006 -3.976 105 H CYS 18 H CYS 18 -0.098 -4.044 -1.394 106 HA CYS 18 HA CYS 18 1.513 -5.748 0.222 107 2HB CYS 18 2HB CYS 18 -1.132 -6.004 1.188 108 H LYS 19 H LYS 19 -1.054 -6.405 -2.099 109 HA LYS 19 HA LYS 19 -1.384 -9.126 -1.393 110 2HB LYS 19 2HB LYS 19 -2.276 -9.133 -3.827 111 2HG LYS 19 2HG LYS 19 -3.566 -7.052 -2.488 112 2HD LYS 19 2HD LYS 19 -5.079 -8.381 -3.704 113 2HE LYS 19 2HE LYS 19 -3.723 -10.763 -2.345 114 1HZ LYS 19 1HZ LYS 19 -6.356 -10.785 -3.662 115 2HZ LYS 19 2HZ LYS 19 -5.491 -12.114 -3.223 116 3HZ LYS 19 3HZ LYS 19 -6.054 -11.091 -2.066 117 H LYS 20 H LYS 20 0.665 -7.511 -3.759 118 HA LYS 20 HA LYS 20 1.968 -9.822 -4.814 119 2HB LYS 20 2HB LYS 20 2.571 -6.860 -4.783 120 2HG LYS 20 2HG LYS 20 4.187 -7.638 -6.745 121 2HD LYS 20 2HD LYS 20 4.874 -7.373 -3.794 122 2HE LYS 20 2HE LYS 20 6.698 -7.102 -6.229 123 1HZ LYS 20 1HZ LYS 20 7.221 -5.566 -4.449 124 2HZ LYS 20 2HZ LYS 20 7.279 -6.792 -3.352 125 3HZ LYS 20 3HZ LYS 20 8.380 -6.724 -4.571 126 H VAL 21 H VAL 21 2.756 -7.773 -1.849 127 HA VAL 21 HA VAL 21 5.226 -9.051 -1.355 128 HB VAL 21 HB VAL 21 3.123 -7.378 0.070 129 1HG1 VAL 21 1HG1 VAL 21 4.841 -6.909 1.752 130 2HG1 VAL 21 2HG1 VAL 21 4.036 -8.481 1.740 131 3HG1 VAL 21 3HG1 VAL 21 5.717 -8.353 1.123 132 1HG2 VAL 21 1HG2 VAL 21 4.548 -6.268 -1.773 133 2HG2 VAL 21 2HG2 VAL 21 4.787 -5.563 -0.166 134 3HG2 VAL 21 3HG2 VAL 21 5.976 -6.714 -0.821 135 H THR 22 H THR 22 1.943 -9.183 0.255 136 HA THR 22 HA THR 22 2.791 -11.674 1.452 137 HB THR 22 HB THR 22 1.594 -9.108 2.413 138 HG1 THR 22 HG1 THR 22 3.417 -11.010 3.473 139 1HG2 THR 22 1HG2 THR 22 0.838 -10.163 4.485 140 2HG2 THR 22 2HG2 THR 22 -0.114 -10.572 3.050 141 3HG2 THR 22 3HG2 THR 22 1.027 -11.771 3.722 142 H GLY 23 H GLY 23 -0.033 -9.823 0.237 143 1HA GLY 23 1HA GLY 23 -1.751 -11.352 -0.963 144 2HA GLY 23 2HA GLY 23 -1.803 -12.226 0.566 145 H SER 24 H SER 24 -1.310 -9.451 1.878 146 HA SER 24 HA SER 24 -4.069 -9.330 2.754 147 2HB SER 24 2HB SER 24 -3.128 -7.932 4.559 148 HG SER 24 HG SER 24 -2.800 -10.197 4.670 149 H GLY 25 H GLY 25 -4.552 -8.492 0.450 150 1HA GLY 25 1HA GLY 25 -3.589 -6.177 -0.597 151 2HA GLY 25 2HA GLY 25 -5.148 -6.830 -1.007 152 H GLN 26 H GLN 26 -5.506 -5.954 2.239 153 HA GLN 26 HA GLN 26 -7.362 -3.856 1.306 154 2HB GLN 26 2HB GLN 26 -8.380 -4.118 3.478 155 2HG GLN 26 2HG GLN 26 -7.626 -6.876 2.395 156 1HE2 GLN 26 1HE2 GLN 26 -10.296 -7.790 2.256 157 2HE2 GLN 26 2HE2 GLN 26 -10.866 -7.964 3.907 158 H GLY 27 H GLY 27 -6.313 -1.864 1.136 159 1HA GLY 27 1HA GLY 27 -4.835 -0.806 3.457 160 2HA GLY 27 2HA GLY 27 -3.904 -1.187 1.974 161 H LYS 28 H LYS 28 -3.530 1.251 2.438 162 HA LYS 28 HA LYS 28 -4.980 2.678 0.415 163 2HB LYS 28 2HB LYS 28 -5.425 4.691 1.840 164 2HG LYS 28 2HG LYS 28 -6.933 2.309 2.985 165 2HD LYS 28 2HD LYS 28 -7.714 5.212 2.488 166 2HE LYS 28 2HE LYS 28 -9.258 2.854 3.698 167 1HZ LYS 28 1HZ LYS 28 -10.123 5.642 3.281 168 2HZ LYS 28 2HZ LYS 28 -11.065 4.407 3.811 169 3HZ LYS 28 3HZ LYS 28 -9.823 4.941 4.742 170 H CYS 29 H CYS 29 -3.843 4.639 -0.199 171 HA CYS 29 HA CYS 29 -0.938 4.280 0.350 172 2HB CYS 29 2HB CYS 29 -1.854 4.754 -2.174 173 H GLN 30 H GLN 30 0.303 6.256 0.819 174 HA GLN 30 HA GLN 30 -1.187 8.528 1.986 175 2HB GLN 30 2HB GLN 30 1.285 7.348 3.283 176 2HG GLN 30 2HG GLN 30 -0.946 9.191 4.261 177 1HE2 GLN 30 1HE2 GLN 30 0.439 10.503 6.224 178 2HE2 GLN 30 2HE2 GLN 30 0.761 9.407 7.548 179 H ASN 31 H ASN 31 -0.318 10.305 0.891 180 HA ASN 31 HA ASN 31 1.222 11.708 0.039 181 2HB ASN 31 2HB ASN 31 3.300 9.907 1.418 182 1HD2 ASN 31 1HD2 ASN 31 2.649 13.421 1.480 183 2HD2 ASN 31 2HD2 ASN 31 4.199 13.840 0.766 184 H ASN 32 H ASN 32 3.332 8.972 -0.266 185 HA ASN 32 HA ASN 32 2.643 7.921 -2.728 186 2HB ASN 32 2HB ASN 32 4.846 8.353 -3.995 187 1HD2 ASN 32 1HD2 ASN 32 2.425 8.800 -4.820 188 2HD2 ASN 32 2HD2 ASN 32 1.983 10.496 -4.651 189 H GLN 33 H GLN 33 2.681 6.969 -0.369 190 HA GLN 33 HA GLN 33 4.759 4.943 -0.163 191 2HB GLN 33 2HB GLN 33 4.635 5.295 2.343 192 2HG GLN 33 2HG GLN 33 6.481 6.442 0.738 193 1HE2 GLN 33 1HE2 GLN 33 6.202 8.364 -0.492 194 2HE2 GLN 33 2HE2 GLN 33 5.830 9.940 0.240 195 H CYS 34 H CYS 34 3.519 3.271 1.577 196 HA CYS 34 HA CYS 34 0.621 3.556 1.316 197 2HB CYS 34 2HB CYS 34 1.388 1.010 0.148 198 H ARG 35 H ARG 35 -0.621 1.832 2.207 199 HA ARG 35 HA ARG 35 0.815 0.354 4.347 200 2HB ARG 35 2HB ARG 35 -0.852 1.298 5.975 201 2HG ARG 35 2HG ARG 35 0.718 3.316 4.394 202 2HD ARG 35 2HD ARG 35 -0.914 4.244 6.196 203 HE ARG 35 HE ARG 35 0.694 2.633 7.628 204 1HH1 ARG 35 1HH1 ARG 35 0.701 6.194 7.452 205 2HH1 ARG 35 2HH1 ARG 35 1.286 6.428 9.067 206 1HH2 ARG 35 1HH2 ARG 35 1.308 2.965 9.872 207 2HH2 ARG 35 2HH2 ARG 35 1.701 4.551 10.461 208 H CYS 36 H CYS 36 -0.256 -1.403 5.067 209 HA CYS 36 HA CYS 36 -3.022 -1.917 4.047 210 2HB CYS 36 2HB CYS 36 -1.492 -3.062 2.527 211 H TYR 37 H TYR 37 -4.288 -3.212 5.318 212 HA TYR 37 HA TYR 37 -4.022 -2.659 8.018 213 2HB TYR 37 2HB TYR 37 -6.066 -3.279 6.503 214 HD1 TYR 37 HD1 TYR 37 -7.146 -5.552 8.824 215 HD2 TYR 37 HD2 TYR 37 -4.801 -5.486 5.201 216 HE1 TYR 37 HE1 TYR 37 -7.759 -7.900 8.379 217 HE2 TYR 37 HE2 TYR 37 -5.517 -7.806 4.709 218 HH TYR 37 HH TYR 37 -7.604 -9.671 6.913 Start of MODEL 8 1 1H PHE 1 1H PHE 1 -2.649 -0.327 7.976 2 HA PHE 1 HA PHE 1 -1.776 0.174 10.778 3 2HB PHE 1 2HB PHE 1 -1.795 -2.592 9.558 4 HD1 PHE 1 HD1 PHE 1 0.077 -2.982 11.278 5 HD2 PHE 1 HD2 PHE 1 -3.897 -1.719 12.407 6 HE1 PHE 1 HE1 PHE 1 0.464 -3.793 13.589 7 HE2 PHE 1 HE2 PHE 1 -3.498 -2.537 14.710 8 HZ PHE 1 HZ PHE 1 -1.323 -3.581 15.305 9 H GLY 2 H GLY 2 -0.932 -1.290 7.737 10 1HA GLY 2 1HA GLY 2 1.823 -1.860 8.011 11 2HA GLY 2 2HA GLY 2 0.982 -1.532 6.527 12 H LEU 3 H LEU 3 3.711 -0.688 7.107 13 HA LEU 3 HA LEU 3 3.183 1.707 5.703 14 2HB LEU 3 2HB LEU 3 3.460 2.770 7.903 15 HG LEU 3 HG LEU 3 6.169 1.318 7.831 16 1HD1 LEU 3 1HD1 LEU 3 6.850 2.889 9.665 17 2HD1 LEU 3 2HD1 LEU 3 6.523 3.763 8.158 18 3HD1 LEU 3 3HD1 LEU 3 5.334 3.798 9.480 19 1HD2 LEU 3 1HD2 LEU 3 5.591 0.962 10.307 20 2HD2 LEU 3 2HD2 LEU 3 3.972 1.616 9.997 21 3HD2 LEU 3 3HD2 LEU 3 4.514 0.117 9.207 22 H ILE 4 H ILE 4 4.295 1.639 3.886 23 HA ILE 4 HA ILE 4 6.726 -0.047 3.756 24 HB ILE 4 HB ILE 4 5.784 -1.009 1.830 25 2HG1 ILE 4 2HG1 ILE 4 4.585 1.535 1.243 26 1HG2 ILE 4 1HG2 ILE 4 4.569 -1.749 3.885 27 2HG2 ILE 4 2HG2 ILE 4 3.289 -0.554 3.555 28 3HG2 ILE 4 3HG2 ILE 4 3.599 -1.875 2.410 29 1HD1 ILE 4 1HD1 ILE 4 5.780 0.025 -0.285 30 2HD1 ILE 4 2HD1 ILE 4 4.426 -1.133 -0.170 31 3HD1 ILE 4 3HD1 ILE 4 4.154 0.489 -0.863 32 H ASP 5 H ASP 5 7.880 0.638 1.543 33 HA ASP 5 HA ASP 5 7.502 3.552 1.032 34 2HB ASP 5 2HB ASP 5 10.181 2.218 1.551 35 H VAL 6 H VAL 6 6.243 2.466 -0.548 36 HA VAL 6 HA VAL 6 7.887 2.507 -3.027 37 HB VAL 6 HB VAL 6 5.580 0.560 -2.655 38 1HG1 VAL 6 1HG1 VAL 6 5.568 1.450 -4.929 39 2HG1 VAL 6 2HG1 VAL 6 7.319 1.165 -5.081 40 3HG1 VAL 6 3HG1 VAL 6 6.189 -0.201 -4.939 41 1HG2 VAL 6 1HG2 VAL 6 8.568 0.091 -3.098 42 2HG2 VAL 6 2HG2 VAL 6 7.690 -0.255 -1.598 43 3HG2 VAL 6 3HG2 VAL 6 7.319 -1.171 -3.062 44 H LYS 7 H LYS 7 7.179 3.857 -4.489 45 HA LYS 7 HA LYS 7 5.548 5.976 -4.059 46 2HB LYS 7 2HB LYS 7 7.138 5.963 -5.786 47 2HG LYS 7 2HG LYS 7 5.398 4.032 -7.382 48 2HD LYS 7 2HD LYS 7 8.107 5.290 -7.958 49 2HE LYS 7 2HE LYS 7 6.257 3.502 -9.627 50 1HZ LYS 7 1HZ LYS 7 8.026 3.570 -11.223 51 2HZ LYS 7 2HZ LYS 7 7.465 5.092 -10.963 52 3HZ LYS 7 3HZ LYS 7 8.900 4.618 -10.306 53 H CYS 8 H CYS 8 3.424 6.137 -3.555 54 HA CYS 8 HA CYS 8 1.399 4.185 -4.531 55 2HB CYS 8 2HB CYS 8 1.394 5.996 -2.473 56 H PHE 9 H PHE 9 0.301 4.366 -6.425 57 HA PHE 9 HA PHE 9 0.252 7.037 -7.789 58 2HB PHE 9 2HB PHE 9 -0.834 4.474 -8.989 59 HD1 PHE 9 HD1 PHE 9 -2.329 5.896 -10.405 60 HD2 PHE 9 HD2 PHE 9 1.923 6.601 -10.256 61 HE1 PHE 9 HE1 PHE 9 -2.482 7.284 -12.453 62 HE2 PHE 9 HE2 PHE 9 1.764 7.987 -12.304 63 HZ PHE 9 HZ PHE 9 -0.437 8.327 -13.412 64 H ALA 10 H ALA 10 -1.366 5.148 -5.518 65 HA ALA 10 HA ALA 10 -3.669 6.596 -5.217 66 1HB ALA 10 1HB ALA 10 -5.387 4.974 -6.123 67 2HB ALA 10 2HB ALA 10 -4.521 5.804 -7.412 68 3HB ALA 10 3HB ALA 10 -4.091 4.133 -6.993 69 H SER 11 H SER 11 -5.107 5.344 -3.667 70 HA SER 11 HA SER 11 -3.661 3.590 -1.837 71 2HB SER 11 2HB SER 11 -6.105 3.196 -1.046 72 HG SER 11 HG SER 11 -5.194 5.900 -1.315 73 H SER 12 H SER 12 -5.768 2.958 -4.695 74 HA SER 12 HA SER 12 -6.236 0.256 -4.072 75 2HB SER 12 2HB SER 12 -7.633 1.122 -5.717 76 HG SER 12 HG SER 12 -6.766 2.468 -7.415 77 H GLU 13 H GLU 13 -3.580 1.912 -5.699 78 HA GLU 13 HA GLU 13 -1.963 -0.078 -6.717 79 2HB GLU 13 2HB GLU 13 -1.023 1.923 -4.738 80 2HG GLU 13 2HG GLU 13 0.795 2.388 -6.510 81 H CYS 14 H CYS 14 -2.115 0.994 -3.266 82 HA CYS 14 HA CYS 14 -0.152 -0.549 -2.149 83 2HB CYS 14 2HB CYS 14 -1.172 0.020 -0.097 84 H TRP 15 H TRP 15 -3.388 -1.219 -3.103 85 HA TRP 15 HA TRP 15 -3.837 -3.532 -1.324 86 2HB TRP 15 2HB TRP 15 -5.722 -4.060 -2.765 87 HD1 TRP 15 HD1 TRP 15 -4.838 -1.262 -0.726 88 HE1 TRP 15 HE1 TRP 15 -6.829 0.207 -0.103 89 HE3 TRP 15 HE3 TRP 15 -8.163 -2.994 -4.174 90 HZ2 TRP 15 HZ2 TRP 15 -9.550 0.621 -1.043 91 HZ3 TRP 15 HZ3 TRP 15 -10.442 -2.023 -4.325 92 HH2 TRP 15 HH2 TRP 15 -11.148 -0.227 -2.760 93 H THR 16 H THR 16 -3.320 -3.206 -4.891 94 HA THR 16 HA THR 16 -2.555 -5.888 -5.365 95 HB THR 16 HB THR 16 -1.237 -4.478 -7.287 96 HG1 THR 16 HG1 THR 16 -1.813 -2.467 -6.256 97 1HG2 THR 16 1HG2 THR 16 -4.262 -4.848 -7.071 98 2HG2 THR 16 2HG2 THR 16 -3.358 -4.559 -8.573 99 3HG2 THR 16 3HG2 THR 16 -3.103 -6.064 -7.668 100 H ALA 17 H ALA 17 -0.617 -3.081 -4.124 101 HA ALA 17 HA ALA 17 1.863 -4.368 -4.530 102 1HB ALA 17 1HB ALA 17 2.786 -2.723 -2.984 103 2HB ALA 17 2HB ALA 17 1.581 -1.930 -4.011 104 3HB ALA 17 3HB ALA 17 1.183 -2.358 -2.334 105 H CYS 18 H CYS 18 -0.080 -4.204 -1.483 106 HA CYS 18 HA CYS 18 1.639 -5.988 -0.113 107 2HB CYS 18 2HB CYS 18 -0.914 -6.467 0.918 108 H LYS 19 H LYS 19 -1.093 -6.534 -2.316 109 HA LYS 19 HA LYS 19 -1.369 -9.267 -1.790 110 2HB LYS 19 2HB LYS 19 -2.393 -9.166 -4.162 111 2HG LYS 19 2HG LYS 19 -3.729 -7.230 -2.657 112 2HD LYS 19 2HD LYS 19 -5.326 -9.162 -2.169 113 2HE LYS 19 2HE LYS 19 -4.512 -8.872 -5.111 114 1HZ LYS 19 1HZ LYS 19 -6.032 -10.693 -4.740 115 2HZ LYS 19 2HZ LYS 19 -7.081 -9.710 -3.943 116 3HZ LYS 19 3HZ LYS 19 -6.777 -9.466 -5.538 117 H LYS 20 H LYS 20 0.588 -7.586 -4.166 118 HA LYS 20 HA LYS 20 1.723 -9.839 -5.464 119 2HB LYS 20 2HB LYS 20 3.733 -8.238 -5.864 120 2HG LYS 20 2HG LYS 20 2.346 -6.629 -7.264 121 2HD LYS 20 2HD LYS 20 1.316 -8.268 -8.788 122 2HE LYS 20 2HE LYS 20 4.043 -9.255 -7.794 123 1HZ LYS 20 1HZ LYS 20 2.800 -9.431 -10.452 124 2HZ LYS 20 2HZ LYS 20 4.332 -9.883 -10.061 125 3HZ LYS 20 3HZ LYS 20 3.052 -10.690 -9.415 126 H VAL 21 H VAL 21 3.119 -8.066 -2.599 127 HA VAL 21 HA VAL 21 5.172 -10.017 -2.317 128 HB VAL 21 HB VAL 21 4.753 -8.905 0.213 129 1HG1 VAL 21 1HG1 VAL 21 6.927 -9.217 -0.989 130 2HG1 VAL 21 2HG1 VAL 21 6.438 -7.932 -2.127 131 3HG1 VAL 21 3HG1 VAL 21 6.773 -7.541 -0.420 132 1HG2 VAL 21 1HG2 VAL 21 4.573 -6.542 -0.017 133 2HG2 VAL 21 2HG2 VAL 21 4.384 -6.660 -1.773 134 3HG2 VAL 21 3HG2 VAL 21 3.140 -7.331 -0.680 135 H THR 22 H THR 22 2.243 -9.562 -0.200 136 HA THR 22 HA THR 22 2.785 -12.317 0.854 137 HB THR 22 HB THR 22 1.400 -11.579 2.744 138 HG1 THR 22 HG1 THR 22 0.579 -9.599 2.847 139 1HG2 THR 22 1HG2 THR 22 3.667 -9.615 2.185 140 2HG2 THR 22 2HG2 THR 22 3.014 -10.065 3.768 141 3HG2 THR 22 3HG2 THR 22 3.881 -11.269 2.795 142 H GLY 23 H GLY 23 0.242 -10.141 -0.206 143 1HA GLY 23 1HA GLY 23 -1.799 -11.364 -1.386 144 2HA GLY 23 2HA GLY 23 -1.753 -12.388 0.033 145 H SER 24 H SER 24 -0.800 -9.611 1.410 146 HA SER 24 HA SER 24 -3.309 -9.512 2.804 147 2HB SER 24 2HB SER 24 -2.146 -8.070 4.354 148 HG SER 24 HG SER 24 -0.628 -9.518 4.884 149 H GLY 25 H GLY 25 -4.297 -8.743 0.583 150 1HA GLY 25 1HA GLY 25 -3.523 -6.456 -0.680 151 2HA GLY 25 2HA GLY 25 -5.042 -7.280 -0.899 152 H GLN 26 H GLN 26 -4.619 -5.625 2.197 153 HA GLN 26 HA GLN 26 -6.886 -3.867 1.427 154 2HB GLN 26 2HB GLN 26 -7.737 -4.246 3.592 155 2HG GLN 26 2HG GLN 26 -6.695 -6.924 2.591 156 1HE2 GLN 26 1HE2 GLN 26 -10.013 -5.738 3.289 157 2HE2 GLN 26 2HE2 GLN 26 -10.286 -6.892 4.583 158 H GLY 27 H GLY 27 -6.314 -1.631 1.646 159 1HA GLY 27 1HA GLY 27 -4.688 -0.659 3.794 160 2HA GLY 27 2HA GLY 27 -3.720 -0.908 2.310 161 H LYS 28 H LYS 28 -3.502 1.513 2.805 162 HA LYS 28 HA LYS 28 -4.878 2.771 0.619 163 2HB LYS 28 2HB LYS 28 -5.152 4.932 2.011 164 2HG LYS 28 2HG LYS 28 -7.112 2.755 2.815 165 2HD LYS 28 2HD LYS 28 -7.283 5.767 2.334 166 2HE LYS 28 2HE LYS 28 -9.496 3.774 3.037 167 1HZ LYS 28 1HZ LYS 28 -9.824 5.932 4.049 168 2HZ LYS 28 2HZ LYS 28 -9.620 6.691 2.601 169 3HZ LYS 28 3HZ LYS 28 -10.910 5.699 2.835 170 H CYS 29 H CYS 29 -3.758 4.770 -0.023 171 HA CYS 29 HA CYS 29 -0.868 4.322 0.426 172 2HB CYS 29 2HB CYS 29 -1.764 4.744 -2.054 173 H GLN 30 H GLN 30 0.449 5.891 1.283 174 HA GLN 30 HA GLN 30 -0.785 8.239 2.668 175 2HB GLN 30 2HB GLN 30 1.961 7.052 3.155 176 2HG GLN 30 2HG GLN 30 1.168 9.350 4.123 177 1HE2 GLN 30 1HE2 GLN 30 -1.078 9.799 4.631 178 2HE2 GLN 30 2HE2 GLN 30 -1.857 9.131 6.050 179 H ASN 31 H ASN 31 -0.681 9.678 0.822 180 HA ASN 31 HA ASN 31 0.352 11.306 -0.379 181 2HB ASN 31 2HB ASN 31 2.703 11.900 0.330 182 1HD2 ASN 31 1HD2 ASN 31 3.155 12.121 3.075 183 2HD2 ASN 31 2HD2 ASN 31 1.762 12.899 3.800 184 H ASN 32 H ASN 32 3.075 9.060 -0.223 185 HA ASN 32 HA ASN 32 2.727 7.912 -2.678 186 2HB ASN 32 2HB ASN 32 5.435 9.144 -2.981 187 1HD2 ASN 32 1HD2 ASN 32 2.099 9.844 -3.978 188 2HD2 ASN 32 2HD2 ASN 32 2.127 8.680 -5.217 189 H GLN 33 H GLN 33 2.814 7.101 -0.109 190 HA GLN 33 HA GLN 33 4.728 4.939 -0.367 191 2HB GLN 33 2HB GLN 33 4.925 5.003 2.173 192 2HG GLN 33 2HG GLN 33 6.026 7.513 0.836 193 1HE2 GLN 33 1HE2 GLN 33 8.626 6.094 1.935 194 2HE2 GLN 33 2HE2 GLN 33 8.670 6.697 3.594 195 H CYS 34 H CYS 34 3.574 3.249 1.537 196 HA CYS 34 HA CYS 34 0.677 3.483 1.269 197 2HB CYS 34 2HB CYS 34 1.466 0.942 0.191 198 H ARG 35 H ARG 35 -0.554 1.945 2.316 199 HA ARG 35 HA ARG 35 0.842 0.775 4.673 200 2HB ARG 35 2HB ARG 35 -0.783 1.980 6.096 201 2HG ARG 35 2HG ARG 35 0.714 3.733 4.181 202 2HD ARG 35 2HD ARG 35 -0.561 4.945 5.991 203 HE ARG 35 HE ARG 35 0.762 2.898 7.378 204 1HH1 ARG 35 1HH1 ARG 35 0.069 6.342 7.819 205 2HH1 ARG 35 2HH1 ARG 35 0.028 6.295 9.557 206 1HH2 ARG 35 1HH2 ARG 35 0.697 2.764 9.680 207 2HH2 ARG 35 2HH2 ARG 35 0.418 4.168 10.672 208 H CYS 36 H CYS 36 0.252 -1.182 4.707 209 HA CYS 36 HA CYS 36 -2.381 -2.065 3.732 210 2HB CYS 36 2HB CYS 36 -1.531 -4.128 3.598 211 H TYR 37 H TYR 37 -2.384 -4.444 5.456 212 HA TYR 37 HA TYR 37 -3.294 -3.247 8.014 213 2HB TYR 37 2HB TYR 37 -5.030 -3.880 6.058 214 HD1 TYR 37 HD1 TYR 37 -4.122 -6.031 4.844 215 HD2 TYR 37 HD2 TYR 37 -5.976 -6.088 8.738 216 HE1 TYR 37 HE1 TYR 37 -4.672 -8.434 4.557 217 HE2 TYR 37 HE2 TYR 37 -6.434 -8.509 8.480 218 HH TYR 37 HH TYR 37 -5.699 -10.287 5.484 Start of MODEL 9 1 1H PHE 1 1H PHE 1 -1.022 -0.771 8.500 2 HA PHE 1 HA PHE 1 0.211 -1.300 11.147 3 2HB PHE 1 2HB PHE 1 -1.165 -3.388 9.410 4 HD1 PHE 1 HD1 PHE 1 -1.923 -3.241 12.935 5 HD2 PHE 1 HD2 PHE 1 1.050 -4.725 10.171 6 HE1 PHE 1 HE1 PHE 1 -1.013 -4.718 14.698 7 HE2 PHE 1 HE2 PHE 1 1.990 -6.147 11.964 8 HZ PHE 1 HZ PHE 1 0.961 -6.153 14.228 9 H GLY 2 H GLY 2 -0.017 -2.586 7.918 10 1HA GLY 2 1HA GLY 2 2.818 -2.974 7.280 11 2HA GLY 2 2HA GLY 2 1.451 -2.857 6.191 12 H LEU 3 H LEU 3 4.230 -1.165 6.976 13 HA LEU 3 HA LEU 3 3.075 1.106 5.619 14 2HB LEU 3 2HB LEU 3 3.057 1.805 8.049 15 HG LEU 3 HG LEU 3 6.087 1.386 7.761 16 1HD1 LEU 3 1HD1 LEU 3 4.524 3.120 9.788 17 2HD1 LEU 3 2HD1 LEU 3 6.263 2.757 9.847 18 3HD1 LEU 3 3HD1 LEU 3 5.607 3.710 8.506 19 1HD2 LEU 3 1HD2 LEU 3 5.773 0.422 10.103 20 2HD2 LEU 3 2HD2 LEU 3 4.014 0.564 9.914 21 3HD2 LEU 3 3HD2 LEU 3 4.953 -0.519 8.863 22 H ILE 4 H ILE 4 4.134 1.612 3.859 23 HA ILE 4 HA ILE 4 6.773 0.433 3.476 24 HB ILE 4 HB ILE 4 5.765 -0.927 1.869 25 2HG1 ILE 4 2HG1 ILE 4 4.137 1.264 1.086 26 1HG2 ILE 4 1HG2 ILE 4 3.736 -1.995 2.716 27 2HG2 ILE 4 2HG2 ILE 4 4.823 -1.659 4.063 28 3HG2 ILE 4 3HG2 ILE 4 3.383 -0.631 3.792 29 1HD1 ILE 4 1HD1 ILE 4 4.208 -1.655 0.264 30 2HD1 ILE 4 2HD1 ILE 4 3.457 -0.334 -0.660 31 3HD1 ILE 4 3HD1 ILE 4 5.232 -0.346 -0.396 32 H ASP 5 H ASP 5 7.702 1.301 1.487 33 HA ASP 5 HA ASP 5 6.920 4.164 1.051 34 2HB ASP 5 2HB ASP 5 9.429 4.406 0.711 35 H VAL 6 H VAL 6 5.865 1.969 -0.571 36 HA VAL 6 HA VAL 6 7.332 2.353 -3.099 37 HB VAL 6 HB VAL 6 6.055 0.220 -2.490 38 1HG1 VAL 6 1HG1 VAL 6 3.847 1.423 -2.012 39 2HG1 VAL 6 2HG1 VAL 6 3.721 1.729 -3.752 40 3HG1 VAL 6 3HG1 VAL 6 3.751 0.066 -3.155 41 1HG2 VAL 6 1HG2 VAL 6 5.590 -0.187 -4.873 42 2HG2 VAL 6 2HG2 VAL 6 5.742 1.554 -5.205 43 3HG2 VAL 6 3HG2 VAL 6 7.146 0.624 -4.630 44 H LYS 7 H LYS 7 7.077 4.080 -4.286 45 HA LYS 7 HA LYS 7 5.570 6.320 -3.983 46 2HB LYS 7 2HB LYS 7 7.302 6.274 -5.555 47 2HG LYS 7 2HG LYS 7 5.749 4.301 -7.295 48 2HD LYS 7 2HD LYS 7 8.469 5.636 -7.584 49 2HE LYS 7 2HE LYS 7 6.940 3.743 -9.447 50 1HZ LYS 7 1HZ LYS 7 8.316 5.344 -10.609 51 2HZ LYS 7 2HZ LYS 7 9.637 4.907 -9.724 52 3HZ LYS 7 3HZ LYS 7 8.937 3.827 -10.748 53 H CYS 8 H CYS 8 3.406 6.271 -3.402 54 HA CYS 8 HA CYS 8 1.472 4.450 -4.624 55 2HB CYS 8 2HB CYS 8 1.303 5.940 -2.485 56 H PHE 9 H PHE 9 0.531 4.612 -6.649 57 HA PHE 9 HA PHE 9 0.206 7.385 -7.764 58 2HB PHE 9 2HB PHE 9 -0.641 6.202 -9.781 59 HD1 PHE 9 HD1 PHE 9 1.978 3.758 -9.056 60 HD2 PHE 9 HD2 PHE 9 1.257 7.837 -10.258 61 HE1 PHE 9 HE1 PHE 9 4.253 3.881 -9.970 62 HE2 PHE 9 HE2 PHE 9 3.559 7.969 -11.168 63 HZ PHE 9 HZ PHE 9 5.058 5.989 -11.056 64 H ALA 10 H ALA 10 -1.302 5.188 -5.671 65 HA ALA 10 HA ALA 10 -3.675 6.564 -5.316 66 1HB ALA 10 1HB ALA 10 -5.307 4.904 -6.322 67 2HB ALA 10 2HB ALA 10 -4.453 5.833 -7.552 68 3HB ALA 10 3HB ALA 10 -3.954 4.164 -7.201 69 H SER 11 H SER 11 -5.134 5.161 -3.873 70 HA SER 11 HA SER 11 -3.620 3.522 -2.016 71 2HB SER 11 2HB SER 11 -6.006 2.904 -1.263 72 HG SER 11 HG SER 11 -5.300 5.662 -1.534 73 H SER 12 H SER 12 -5.529 2.689 -4.962 74 HA SER 12 HA SER 12 -5.768 -0.037 -4.350 75 2HB SER 12 2HB SER 12 -7.151 0.783 -6.035 76 HG SER 12 HG SER 12 -5.045 1.828 -7.572 77 H GLU 13 H GLU 13 -3.096 1.824 -5.660 78 HA GLU 13 HA GLU 13 -1.260 -0.026 -6.607 79 2HB GLU 13 2HB GLU 13 -0.775 2.009 -4.453 80 2HG GLU 13 2HG GLU 13 1.221 0.666 -5.431 81 H CYS 14 H CYS 14 -2.021 0.872 -3.226 82 HA CYS 14 HA CYS 14 0.022 -0.550 -1.902 83 2HB CYS 14 2HB CYS 14 -1.103 0.205 0.021 84 H TRP 15 H TRP 15 -3.195 -1.115 -3.038 85 HA TRP 15 HA TRP 15 -3.780 -3.439 -1.326 86 2HB TRP 15 2HB TRP 15 -5.542 -3.950 -2.927 87 HD1 TRP 15 HD1 TRP 15 -4.784 -1.133 -0.799 88 HE1 TRP 15 HE1 TRP 15 -6.816 0.258 -0.247 89 HE3 TRP 15 HE3 TRP 15 -7.917 -3.016 -4.313 90 HZ2 TRP 15 HZ2 TRP 15 -9.530 0.627 -1.327 91 HZ3 TRP 15 HZ3 TRP 15 -10.194 -2.051 -4.639 92 HH2 TRP 15 HH2 TRP 15 -11.018 -0.261 -3.122 93 H THR 16 H THR 16 -3.004 -3.101 -4.868 94 HA THR 16 HA THR 16 -2.321 -5.819 -5.255 95 HB THR 16 HB THR 16 -1.033 -4.693 -7.219 96 HG1 THR 16 HG1 THR 16 -1.035 -2.566 -6.038 97 1HG2 THR 16 1HG2 THR 16 -4.004 -4.088 -6.839 98 2HG2 THR 16 2HG2 THR 16 -3.148 -4.186 -8.384 99 3HG2 THR 16 3HG2 THR 16 -3.350 -5.643 -7.396 100 H ALA 17 H ALA 17 -0.354 -3.119 -3.923 101 HA ALA 17 HA ALA 17 2.129 -4.530 -4.096 102 1HB ALA 17 1HB ALA 17 1.298 -2.413 -2.067 103 2HB ALA 17 2HB ALA 17 2.950 -2.905 -2.468 104 3HB ALA 17 3HB ALA 17 1.958 -2.077 -3.683 105 H CYS 18 H CYS 18 -0.213 -4.198 -1.367 106 HA CYS 18 HA CYS 18 1.244 -5.934 0.353 107 2HB CYS 18 2HB CYS 18 -1.714 -5.935 0.642 108 H LYS 19 H LYS 19 -1.126 -6.497 -2.226 109 HA LYS 19 HA LYS 19 -1.589 -9.243 -1.659 110 2HB LYS 19 2HB LYS 19 -2.196 -9.184 -4.153 111 2HG LYS 19 2HG LYS 19 -3.427 -7.000 -2.678 112 2HD LYS 19 2HD LYS 19 -4.371 -7.722 -4.899 113 2HE LYS 19 2HE LYS 19 -4.060 -10.203 -4.729 114 1HZ LYS 19 1HZ LYS 19 -6.198 -10.097 -2.696 115 2HZ LYS 19 2HZ LYS 19 -5.554 -11.449 -3.360 116 3HZ LYS 19 3HZ LYS 19 -4.644 -10.523 -2.367 117 H LYS 20 H LYS 20 0.537 -7.599 -3.934 118 HA LYS 20 HA LYS 20 1.909 -9.842 -4.978 119 2HB LYS 20 2HB LYS 20 3.801 -8.150 -5.395 120 2HG LYS 20 2HG LYS 20 0.948 -7.916 -6.373 121 2HD LYS 20 2HD LYS 20 1.773 -5.664 -6.762 122 2HE LYS 20 2HE LYS 20 3.676 -5.446 -8.496 123 1HZ LYS 20 1HZ LYS 20 5.374 -5.397 -6.831 124 2HZ LYS 20 2HZ LYS 20 3.990 -4.728 -6.252 125 3HZ LYS 20 3HZ LYS 20 4.440 -6.235 -5.771 126 H VAL 21 H VAL 21 2.716 -7.999 -1.853 127 HA VAL 21 HA VAL 21 4.968 -9.614 -1.340 128 HB VAL 21 HB VAL 21 3.119 -7.665 0.117 129 1HG1 VAL 21 1HG1 VAL 21 4.155 -9.073 1.680 130 2HG1 VAL 21 2HG1 VAL 21 5.755 -8.810 0.933 131 3HG1 VAL 21 3HG1 VAL 21 4.882 -7.452 1.732 132 1HG2 VAL 21 1HG2 VAL 21 4.521 -6.699 -1.797 133 2HG2 VAL 21 2HG2 VAL 21 4.979 -6.073 -0.206 134 3HG2 VAL 21 3HG2 VAL 21 5.958 -7.338 -0.982 135 H THR 22 H THR 22 1.734 -9.275 0.254 136 HA THR 22 HA THR 22 2.288 -11.781 1.634 137 HB THR 22 HB THR 22 0.571 -11.218 3.193 138 HG1 THR 22 HG1 THR 22 0.042 -8.916 1.628 139 1HG2 THR 22 1HG2 THR 22 2.807 -10.117 3.460 140 2HG2 THR 22 2HG2 THR 22 2.140 -8.664 2.663 141 3HG2 THR 22 3HG2 THR 22 1.463 -9.226 4.198 142 H GLY 23 H GLY 23 -0.279 -10.236 -0.233 143 1HA GLY 23 1HA GLY 23 -1.709 -11.687 -1.768 144 2HA GLY 23 2HA GLY 23 -1.872 -12.782 -0.393 145 H SER 24 H SER 24 -1.822 -10.318 1.433 146 HA SER 24 HA SER 24 -4.756 -10.366 1.623 147 2HB SER 24 2HB SER 24 -2.950 -9.233 3.761 148 HG SER 24 HG SER 24 -5.165 -11.039 3.800 149 H GLY 25 H GLY 25 -5.126 -8.944 -0.067 150 1HA GLY 25 1HA GLY 25 -3.603 -6.733 -0.648 151 2HA GLY 25 2HA GLY 25 -5.190 -7.122 -1.324 152 H GLN 26 H GLN 26 -4.812 -6.014 2.074 153 HA GLN 26 HA GLN 26 -6.790 -3.907 1.353 154 2HB GLN 26 2HB GLN 26 -7.636 -4.210 3.554 155 2HG GLN 26 2HG GLN 26 -7.032 -6.970 2.404 156 1HE2 GLN 26 1HE2 GLN 26 -9.741 -7.786 2.325 157 2HE2 GLN 26 2HE2 GLN 26 -10.288 -7.916 3.985 158 H GLY 27 H GLY 27 -5.969 -1.823 1.409 159 1HA GLY 27 1HA GLY 27 -4.500 -0.821 3.661 160 2HA GLY 27 2HA GLY 27 -3.450 -1.079 2.230 161 H LYS 28 H LYS 28 -3.302 1.391 2.641 162 HA LYS 28 HA LYS 28 -4.767 2.597 0.460 163 2HB LYS 28 2HB LYS 28 -5.303 4.668 1.776 164 2HG LYS 28 2HG LYS 28 -6.795 2.329 3.011 165 2HD LYS 28 2HD LYS 28 -7.298 4.703 3.763 166 2HE LYS 28 2HE LYS 28 -8.459 4.846 0.922 167 1HZ LYS 28 1HZ LYS 28 -8.617 6.819 3.105 168 2HZ LYS 28 2HZ LYS 28 -9.182 7.018 1.574 169 3HZ LYS 28 3HZ LYS 28 -9.873 5.899 2.561 170 H CYS 29 H CYS 29 -3.791 4.618 -0.206 171 HA CYS 29 HA CYS 29 -0.872 4.450 0.315 172 2HB CYS 29 2HB CYS 29 -1.774 4.756 -2.210 173 H GLN 30 H GLN 30 0.250 6.578 0.677 174 HA GLN 30 HA GLN 30 -1.420 8.853 1.544 175 2HB GLN 30 2HB GLN 30 0.812 7.615 3.194 176 2HG GLN 30 2HG GLN 30 -0.647 10.279 3.331 177 1HE2 GLN 30 1HE2 GLN 30 -2.163 9.631 5.057 178 2HE2 GLN 30 2HE2 GLN 30 -1.580 9.638 6.706 179 H ASN 31 H ASN 31 -0.591 10.546 0.381 180 HA ASN 31 HA ASN 31 0.866 11.994 -0.561 181 2HB ASN 31 2HB ASN 31 3.295 11.860 0.424 182 1HD2 ASN 31 1HD2 ASN 31 2.893 14.058 0.820 183 2HD2 ASN 31 2HD2 ASN 31 1.846 14.596 2.118 184 H ASN 32 H ASN 32 3.029 9.262 -0.258 185 HA ASN 32 HA ASN 32 2.832 8.139 -2.664 186 2HB ASN 32 2HB ASN 32 5.612 9.147 -2.993 187 1HD2 ASN 32 1HD2 ASN 32 2.371 10.161 -4.080 188 2HD2 ASN 32 2HD2 ASN 32 2.302 8.955 -5.277 189 H GLN 33 H GLN 33 2.694 7.324 -0.187 190 HA GLN 33 HA GLN 33 4.715 5.235 -0.103 191 2HB GLN 33 2HB GLN 33 4.334 5.314 2.481 192 2HG GLN 33 2HG GLN 33 5.591 7.919 1.601 193 1HE2 GLN 33 1HE2 GLN 33 7.716 6.539 3.593 194 2HE2 GLN 33 2HE2 GLN 33 7.099 7.068 5.148 195 H CYS 34 H CYS 34 3.476 3.461 1.547 196 HA CYS 34 HA CYS 34 0.594 3.712 1.383 197 2HB CYS 34 2HB CYS 34 1.257 1.130 0.320 198 H ARG 35 H ARG 35 -0.538 2.021 2.458 199 HA ARG 35 HA ARG 35 1.103 0.642 4.486 200 2HB ARG 35 2HB ARG 35 -0.726 1.775 6.116 201 2HG ARG 35 2HG ARG 35 1.706 3.103 4.927 202 2HD ARG 35 2HD ARG 35 0.943 4.086 7.569 203 HE ARG 35 HE ARG 35 2.376 4.940 5.282 204 1HH1 ARG 35 1HH1 ARG 35 0.104 6.392 7.569 205 2HH1 ARG 35 2HH1 ARG 35 0.601 8.035 7.173 206 1HH2 ARG 35 1HH2 ARG 35 3.304 7.199 5.120 207 2HH2 ARG 35 2HH2 ARG 35 2.285 8.441 5.804 208 H CYS 36 H CYS 36 0.252 -1.382 5.031 209 HA CYS 36 HA CYS 36 -2.573 -1.878 4.230 210 2HB CYS 36 2HB CYS 36 -1.826 -3.361 2.982 211 H TYR 37 H TYR 37 -3.594 -3.537 5.469 212 HA TYR 37 HA TYR 37 -3.798 -2.586 8.198 213 2HB TYR 37 2HB TYR 37 -5.653 -3.245 6.444 214 HD1 TYR 37 HD1 TYR 37 -6.972 -5.553 8.608 215 HD2 TYR 37 HD2 TYR 37 -4.135 -5.444 5.349 216 HE1 TYR 37 HE1 TYR 37 -7.336 -7.967 8.182 217 HE2 TYR 37 HE2 TYR 37 -4.564 -7.795 4.890 218 HH TYR 37 HH TYR 37 -5.653 -9.685 5.531 Start of MODEL 10 1 1H PHE 1 1H PHE 1 1.115 -1.349 11.254 2 HA PHE 1 HA PHE 1 0.402 -3.834 10.696 3 2HB PHE 1 2HB PHE 1 -1.425 -3.698 8.961 4 HD1 PHE 1 HD1 PHE 1 -1.406 -5.356 11.097 5 HD2 PHE 1 HD2 PHE 1 -3.539 -1.621 10.727 6 HE1 PHE 1 HE1 PHE 1 -3.115 -6.168 12.691 7 HE2 PHE 1 HE2 PHE 1 -5.267 -2.463 12.290 8 HZ PHE 1 HZ PHE 1 -5.054 -4.734 13.282 9 H GLY 2 H GLY 2 -0.128 -3.113 7.631 10 1HA GLY 2 1HA GLY 2 2.554 -3.155 6.732 11 2HA GLY 2 2HA GLY 2 1.106 -2.800 5.827 12 H LEU 3 H LEU 3 4.015 -1.408 6.776 13 HA LEU 3 HA LEU 3 2.982 0.924 5.487 14 2HB LEU 3 2HB LEU 3 2.919 1.660 7.872 15 HG LEU 3 HG LEU 3 5.934 1.015 7.751 16 1HD1 LEU 3 1HD1 LEU 3 4.516 2.949 9.687 17 2HD1 LEU 3 2HD1 LEU 3 6.222 2.469 9.710 18 3HD1 LEU 3 3HD1 LEU 3 5.604 3.424 8.358 19 1HD2 LEU 3 1HD2 LEU 3 5.450 0.202 10.103 20 2HD2 LEU 3 2HD2 LEU 3 3.720 0.505 9.857 21 3HD2 LEU 3 3HD2 LEU 3 4.572 -0.711 8.880 22 H ILE 4 H ILE 4 4.167 1.529 3.825 23 HA ILE 4 HA ILE 4 6.783 0.193 3.509 24 HB ILE 4 HB ILE 4 5.869 -0.784 1.586 25 2HG1 ILE 4 2HG1 ILE 4 4.400 1.615 1.110 26 1HG2 ILE 4 1HG2 ILE 4 3.796 -1.907 2.153 27 2HG2 ILE 4 2HG2 ILE 4 4.790 -1.779 3.606 28 3HG2 ILE 4 3HG2 ILE 4 3.387 -0.697 3.386 29 1HD1 ILE 4 1HD1 ILE 4 4.358 -1.051 -0.314 30 2HD1 ILE 4 2HD1 ILE 4 3.950 0.548 -0.992 31 3HD1 ILE 4 3HD1 ILE 4 5.628 0.189 -0.496 32 H ASP 5 H ASP 5 7.904 1.175 1.556 33 HA ASP 5 HA ASP 5 6.889 3.863 0.806 34 2HB ASP 5 2HB ASP 5 9.797 3.296 1.433 35 H VAL 6 H VAL 6 5.915 2.667 -0.728 36 HA VAL 6 HA VAL 6 7.669 2.760 -3.105 37 HB VAL 6 HB VAL 6 5.354 0.798 -2.857 38 1HG1 VAL 6 1HG1 VAL 6 5.337 1.830 -5.081 39 2HG1 VAL 6 2HG1 VAL 6 7.087 1.552 -5.248 40 3HG1 VAL 6 3HG1 VAL 6 5.964 0.180 -5.189 41 1HG2 VAL 6 1HG2 VAL 6 7.506 -0.021 -1.851 42 2HG2 VAL 6 2HG2 VAL 6 7.112 -0.892 -3.339 43 3HG2 VAL 6 3HG2 VAL 6 8.345 0.385 -3.358 44 H LYS 7 H LYS 7 7.006 4.247 -4.454 45 HA LYS 7 HA LYS 7 5.240 6.220 -3.593 46 2HB LYS 7 2HB LYS 7 5.651 7.219 -5.855 47 2HG LYS 7 2HG LYS 7 7.491 6.676 -3.710 48 2HD LYS 7 2HD LYS 7 8.836 5.344 -5.276 49 2HE LYS 7 2HE LYS 7 8.316 6.335 -7.471 50 1HZ LYS 7 1HZ LYS 7 9.231 8.479 -8.021 51 2HZ LYS 7 2HZ LYS 7 8.100 8.630 -6.840 52 3HZ LYS 7 3HZ LYS 7 9.702 8.735 -6.465 53 H CYS 8 H CYS 8 3.127 6.037 -3.346 54 HA CYS 8 HA CYS 8 1.420 4.295 -4.869 55 2HB CYS 8 2HB CYS 8 0.915 5.108 -2.789 56 H PHE 9 H PHE 9 0.826 4.503 -6.931 57 HA PHE 9 HA PHE 9 0.432 7.078 -8.297 58 2HB PHE 9 2HB PHE 9 -0.646 4.287 -8.896 59 HD1 PHE 9 HD1 PHE 9 0.788 7.118 -10.904 60 HD2 PHE 9 HD2 PHE 9 -2.694 4.702 -10.084 61 HE1 PHE 9 HE1 PHE 9 -0.385 8.143 -12.831 62 HE2 PHE 9 HE2 PHE 9 -3.852 5.725 -12.019 63 HZ PHE 9 HZ PHE 9 -2.703 7.444 -13.400 64 H ALA 10 H ALA 10 -1.319 4.705 -6.259 65 HA ALA 10 HA ALA 10 -3.228 6.594 -5.344 66 1HB ALA 10 1HB ALA 10 -4.285 6.228 -7.570 67 2HB ALA 10 2HB ALA 10 -4.208 4.470 -7.322 68 3HB ALA 10 3HB ALA 10 -5.259 5.473 -6.299 69 H SER 11 H SER 11 -4.633 5.550 -3.768 70 HA SER 11 HA SER 11 -3.562 3.615 -2.054 71 2HB SER 11 2HB SER 11 -6.033 3.259 -1.422 72 HG SER 11 HG SER 11 -5.189 5.981 -1.600 73 H SER 12 H SER 12 -5.611 3.066 -4.975 74 HA SER 12 HA SER 12 -6.167 0.380 -4.381 75 2HB SER 12 2HB SER 12 -7.597 1.277 -5.944 76 HG SER 12 HG SER 12 -6.812 2.715 -7.602 77 H GLU 13 H GLU 13 -3.191 1.876 -5.567 78 HA GLU 13 HA GLU 13 -2.190 -0.550 -6.806 79 2HB GLU 13 2HB GLU 13 -0.466 1.345 -5.389 80 2HG GLU 13 2HG GLU 13 0.917 1.102 -7.552 81 H CYS 14 H CYS 14 -1.875 1.031 -3.541 82 HA CYS 14 HA CYS 14 -0.059 -0.519 -2.250 83 2HB CYS 14 2HB CYS 14 -1.118 0.162 -0.267 84 H TRP 15 H TRP 15 -3.229 -1.194 -3.297 85 HA TRP 15 HA TRP 15 -3.841 -3.400 -1.440 86 2HB TRP 15 2HB TRP 15 -5.617 -3.971 -3.053 87 HD1 TRP 15 HD1 TRP 15 -4.809 -1.095 -0.996 88 HE1 TRP 15 HE1 TRP 15 -6.835 0.323 -0.466 89 HE3 TRP 15 HE3 TRP 15 -7.968 -3.033 -4.455 90 HZ2 TRP 15 HZ2 TRP 15 -9.569 0.628 -1.483 91 HZ3 TRP 15 HZ3 TRP 15 -10.287 -2.139 -4.709 92 HH2 TRP 15 HH2 TRP 15 -11.094 -0.329 -3.211 93 H THR 16 H THR 16 -3.082 -3.294 -4.988 94 HA THR 16 HA THR 16 -2.281 -6.004 -5.208 95 HB THR 16 HB THR 16 -0.939 -4.776 -7.189 96 HG1 THR 16 HG1 THR 16 -1.394 -2.666 -6.495 97 1HG2 THR 16 1HG2 THR 16 -2.819 -6.353 -7.488 98 2HG2 THR 16 2HG2 THR 16 -3.969 -5.067 -7.039 99 3HG2 THR 16 3HG2 THR 16 -3.014 -4.931 -8.528 100 H ALA 17 H ALA 17 -0.478 -3.106 -3.984 101 HA ALA 17 HA ALA 17 2.061 -4.369 -4.057 102 1HB ALA 17 1HB ALA 17 1.185 -2.333 -1.997 103 2HB ALA 17 2HB ALA 17 2.821 -2.695 -2.551 104 3HB ALA 17 3HB ALA 17 1.674 -1.920 -3.655 105 H CYS 18 H CYS 18 -0.105 -4.037 -1.187 106 HA CYS 18 HA CYS 18 1.486 -5.742 0.370 107 2HB CYS 18 2HB CYS 18 -1.069 -6.089 1.373 108 H LYS 19 H LYS 19 -1.051 -6.437 -1.981 109 HA LYS 19 HA LYS 19 -1.289 -9.172 -1.381 110 2HB LYS 19 2HB LYS 19 -2.250 -9.170 -3.737 111 2HG LYS 19 2HG LYS 19 -3.581 -7.139 -2.402 112 2HD LYS 19 2HD LYS 19 -5.207 -9.062 -1.775 113 2HE LYS 19 2HE LYS 19 -5.906 -9.706 -4.052 114 1HZ LYS 19 1HZ LYS 19 -6.185 -7.544 -4.992 115 2HZ LYS 19 2HZ LYS 19 -6.408 -7.444 -3.366 116 3HZ LYS 19 3HZ LYS 19 -5.008 -6.900 -4.044 117 H LYS 20 H LYS 20 0.737 -7.471 -3.720 118 HA LYS 20 HA LYS 20 2.025 -9.677 -4.972 119 2HB LYS 20 2HB LYS 20 3.980 -8.042 -5.280 120 2HG LYS 20 2HG LYS 20 1.199 -7.510 -6.305 121 2HD LYS 20 2HD LYS 20 3.701 -5.848 -6.918 122 2HE LYS 20 2HE LYS 20 0.854 -5.762 -8.013 123 1HZ LYS 20 1HZ LYS 20 1.526 -3.660 -9.051 124 2HZ LYS 20 2HZ LYS 20 1.368 -3.434 -7.471 125 3HZ LYS 20 3HZ LYS 20 2.865 -3.588 -8.118 126 H VAL 21 H VAL 21 3.183 -7.772 -2.073 127 HA VAL 21 HA VAL 21 5.341 -9.530 -1.597 128 HB VAL 21 HB VAL 21 4.527 -8.531 0.914 129 1HG1 VAL 21 1HG1 VAL 21 6.396 -7.364 -1.198 130 2HG1 VAL 21 2HG1 VAL 21 6.493 -6.988 0.542 131 3HG1 VAL 21 3HG1 VAL 21 6.862 -8.630 -0.028 132 1HG2 VAL 21 1HG2 VAL 21 4.218 -6.281 -1.064 133 2HG2 VAL 21 2HG2 VAL 21 2.920 -7.123 -0.159 134 3HG2 VAL 21 3HG2 VAL 21 4.161 -6.206 0.709 135 H THR 22 H THR 22 1.950 -9.692 -0.253 136 HA THR 22 HA THR 22 2.623 -12.390 0.773 137 HB THR 22 HB THR 22 2.426 -9.763 2.181 138 HG1 THR 22 HG1 THR 22 4.204 -11.375 1.937 139 1HG2 THR 22 1HG2 THR 22 1.052 -12.194 3.325 140 2HG2 THR 22 2HG2 THR 22 1.554 -10.745 4.242 141 3HG2 THR 22 3HG2 THR 22 0.386 -10.580 2.917 142 H GLY 23 H GLY 23 0.067 -9.898 0.368 143 1HA GLY 23 1HA GLY 23 -1.878 -11.249 -0.893 144 2HA GLY 23 2HA GLY 23 -1.946 -12.127 0.627 145 H SER 24 H SER 24 -1.186 -9.329 1.892 146 HA SER 24 HA SER 24 -3.833 -9.166 2.979 147 2HB SER 24 2HB SER 24 -2.780 -7.732 4.635 148 HG SER 24 HG SER 24 -2.120 -9.944 4.652 149 H GLY 25 H GLY 25 -4.551 -8.463 0.635 150 1HA GLY 25 1HA GLY 25 -3.643 -6.187 -0.559 151 2HA GLY 25 2HA GLY 25 -5.160 -6.962 -0.930 152 H GLN 26 H GLN 26 -5.335 -5.719 2.257 153 HA GLN 26 HA GLN 26 -7.348 -3.768 1.294 154 2HB GLN 26 2HB GLN 26 -8.432 -4.173 3.383 155 2HG GLN 26 2HG GLN 26 -7.383 -6.839 2.293 156 1HE2 GLN 26 1HE2 GLN 26 -10.384 -5.348 3.695 157 2HE2 GLN 26 2HE2 GLN 26 -10.750 -6.767 4.657 158 H GLY 27 H GLY 27 -6.409 -1.707 1.267 159 1HA GLY 27 1HA GLY 27 -4.895 -0.686 3.549 160 2HA GLY 27 2HA GLY 27 -3.934 -1.140 2.105 161 H LYS 28 H LYS 28 -3.453 1.276 2.367 162 HA LYS 28 HA LYS 28 -4.901 2.741 0.347 163 2HB LYS 28 2HB LYS 28 -5.024 4.776 2.074 164 2HG LYS 28 2HG LYS 28 -7.216 2.674 2.145 165 2HD LYS 28 2HD LYS 28 -7.168 5.665 2.711 166 2HE LYS 28 2HE LYS 28 -9.493 3.686 2.467 167 1HZ LYS 28 1HZ LYS 28 -9.868 5.218 4.266 168 2HZ LYS 28 2HZ LYS 28 -9.538 6.513 3.301 169 3HZ LYS 28 3HZ LYS 28 -10.854 5.580 3.002 170 H CYS 29 H CYS 29 -3.808 4.680 -0.250 171 HA CYS 29 HA CYS 29 -0.897 4.411 0.262 172 2HB CYS 29 2HB CYS 29 -1.595 4.627 -2.254 173 H GLN 30 H GLN 30 0.256 6.455 0.661 174 HA GLN 30 HA GLN 30 -1.321 8.713 1.765 175 2HB GLN 30 2HB GLN 30 1.068 7.474 3.162 176 2HG GLN 30 2HG GLN 30 -1.092 9.405 4.112 177 1HE2 GLN 30 1HE2 GLN 30 -0.129 10.588 6.175 178 2HE2 GLN 30 2HE2 GLN 30 0.480 9.504 7.404 179 H ASN 31 H ASN 31 -0.516 10.420 0.569 180 HA ASN 31 HA ASN 31 0.976 11.906 -0.188 181 2HB ASN 31 2HB ASN 31 3.256 10.441 1.256 182 1HD2 ASN 31 1HD2 ASN 31 3.652 12.670 2.973 183 2HD2 ASN 31 2HD2 ASN 31 4.233 13.980 1.960 184 H ASN 32 H ASN 32 3.217 9.204 -0.226 185 HA ASN 32 HA ASN 32 2.674 8.069 -2.662 186 2HB ASN 32 2HB ASN 32 4.941 8.449 -3.846 187 1HD2 ASN 32 1HD2 ASN 32 2.449 8.858 -4.724 188 2HD2 ASN 32 2HD2 ASN 32 2.083 10.571 -4.719 189 H GLN 33 H GLN 33 2.639 7.187 -0.251 190 HA GLN 33 HA GLN 33 4.684 5.134 -0.180 191 2HB GLN 33 2HB GLN 33 4.600 5.295 2.341 192 2HG GLN 33 2HG GLN 33 6.444 6.537 0.920 193 1HE2 GLN 33 1HE2 GLN 33 6.347 8.434 -0.286 194 2HE2 GLN 33 2HE2 GLN 33 6.006 10.028 0.400 195 H CYS 34 H CYS 34 3.438 3.453 1.664 196 HA CYS 34 HA CYS 34 0.557 3.627 1.328 197 2HB CYS 34 2HB CYS 34 1.397 1.102 0.232 198 H ARG 35 H ARG 35 -0.605 1.894 2.257 199 HA ARG 35 HA ARG 35 0.860 0.371 4.306 200 2HB ARG 35 2HB ARG 35 -0.903 1.197 5.989 201 2HG ARG 35 2HG ARG 35 0.745 3.370 4.738 202 2HD ARG 35 2HD ARG 35 0.160 2.970 7.699 203 HE ARG 35 HE ARG 35 0.533 5.464 6.085 204 1HH1 ARG 35 1HH1 ARG 35 1.877 3.387 8.621 205 2HH1 ARG 35 2HH1 ARG 35 3.120 4.502 9.087 206 1HH2 ARG 35 1HH2 ARG 35 2.097 6.946 6.717 207 2HH2 ARG 35 2HH2 ARG 35 3.336 6.562 7.895 208 H CYS 36 H CYS 36 -0.346 -1.305 5.216 209 HA CYS 36 HA CYS 36 -3.042 -1.854 4.096 210 2HB CYS 36 2HB CYS 36 -1.474 -2.979 2.596 211 H TYR 37 H TYR 37 -4.151 -3.559 5.269 212 HA TYR 37 HA TYR 37 -3.924 -2.956 8.066 213 2HB TYR 37 2HB TYR 37 -6.007 -3.374 6.472 214 HD1 TYR 37 HD1 TYR 37 -4.913 -5.633 5.150 215 HD2 TYR 37 HD2 TYR 37 -7.177 -5.615 8.826 216 HE1 TYR 37 HE1 TYR 37 -5.824 -7.868 4.608 217 HE2 TYR 37 HE2 TYR 37 -8.002 -7.894 8.317 218 HH TYR 37 HH TYR 37 -7.948 -9.099 5.151 Start of MODEL 11 1 1H PHE 1 1H PHE 1 -1.368 -0.818 8.320 2 HA PHE 1 HA PHE 1 -0.306 -1.367 11.029 3 2HB PHE 1 2HB PHE 1 -1.439 -3.445 9.086 4 HD1 PHE 1 HD1 PHE 1 -2.099 -3.287 12.687 5 HD2 PHE 1 HD2 PHE 1 0.553 -4.942 9.709 6 HE1 PHE 1 HE1 PHE 1 -1.237 -4.903 14.350 7 HE2 PHE 1 HE2 PHE 1 1.441 -6.528 11.395 8 HZ PHE 1 HZ PHE 1 0.543 -6.518 13.714 9 H GLY 2 H GLY 2 -0.091 -2.561 7.760 10 1HA GLY 2 1HA GLY 2 2.817 -2.798 7.542 11 2HA GLY 2 2HA GLY 2 1.645 -2.803 6.242 12 H LEU 3 H LEU 3 4.256 -1.072 6.992 13 HA LEU 3 HA LEU 3 3.108 1.212 5.647 14 2HB LEU 3 2HB LEU 3 3.092 1.890 8.075 15 HG LEU 3 HG LEU 3 6.127 1.469 7.793 16 1HD1 LEU 3 1HD1 LEU 3 5.620 3.762 8.618 17 2HD1 LEU 3 2HD1 LEU 3 4.553 3.111 9.883 18 3HD1 LEU 3 3HD1 LEU 3 6.297 2.769 9.918 19 1HD2 LEU 3 1HD2 LEU 3 5.049 -0.484 8.825 20 2HD2 LEU 3 2HD2 LEU 3 5.806 0.441 10.115 21 3HD2 LEU 3 3HD2 LEU 3 4.049 0.531 9.887 22 H ILE 4 H ILE 4 4.186 1.724 3.891 23 HA ILE 4 HA ILE 4 6.836 0.560 3.508 24 HB ILE 4 HB ILE 4 5.840 -0.771 1.872 25 2HG1 ILE 4 2HG1 ILE 4 4.207 1.467 1.138 26 1HG2 ILE 4 1HG2 ILE 4 3.798 -1.840 2.679 27 2HG2 ILE 4 2HG2 ILE 4 4.874 -1.527 4.041 28 3HG2 ILE 4 3HG2 ILE 4 3.438 -0.494 3.777 29 1HD1 ILE 4 1HD1 ILE 4 4.329 -1.366 0.100 30 2HD1 ILE 4 2HD1 ILE 4 3.719 0.073 -0.760 31 3HD1 ILE 4 3HD1 ILE 4 5.453 -0.049 -0.331 32 H ASP 5 H ASP 5 7.768 1.441 1.489 33 HA ASP 5 HA ASP 5 6.845 4.212 0.902 34 2HB ASP 5 2HB ASP 5 9.589 4.419 0.673 35 H VAL 6 H VAL 6 6.025 2.120 -0.569 36 HA VAL 6 HA VAL 6 7.502 2.467 -3.143 37 HB VAL 6 HB VAL 6 5.057 0.807 -2.522 38 1HG1 VAL 6 1HG1 VAL 6 6.589 1.198 -5.128 39 2HG1 VAL 6 2HG1 VAL 6 5.383 -0.073 -4.830 40 3HG1 VAL 6 3HG1 VAL 6 4.887 1.620 -4.822 41 1HG2 VAL 6 1HG2 VAL 6 7.291 -0.068 -1.669 42 2HG2 VAL 6 2HG2 VAL 6 6.601 -1.074 -2.952 43 3HG2 VAL 6 3HG2 VAL 6 7.920 0.054 -3.314 44 H LYS 7 H LYS 7 7.044 4.041 -4.431 45 HA LYS 7 HA LYS 7 5.461 6.203 -4.024 46 2HB LYS 7 2HB LYS 7 7.186 6.368 -5.536 47 2HG LYS 7 2HG LYS 7 5.812 4.339 -7.357 48 2HD LYS 7 2HD LYS 7 8.329 6.031 -7.658 49 2HE LYS 7 2HE LYS 7 7.148 3.882 -9.491 50 1HZ LYS 7 1HZ LYS 7 8.205 5.669 -10.708 51 2HZ LYS 7 2HZ LYS 7 9.579 5.521 -9.819 52 3HZ LYS 7 3HZ LYS 7 9.103 4.296 -10.803 53 H CYS 8 H CYS 8 3.388 6.095 -3.456 54 HA CYS 8 HA CYS 8 1.239 4.619 -4.777 55 2HB CYS 8 2HB CYS 8 1.397 6.653 -2.718 56 H PHE 9 H PHE 9 0.567 4.968 -6.721 57 HA PHE 9 HA PHE 9 0.110 7.743 -7.741 58 2HB PHE 9 2HB PHE 9 -0.768 6.566 -9.743 59 HD1 PHE 9 HD1 PHE 9 0.816 8.002 -10.846 60 HD2 PHE 9 HD2 PHE 9 2.202 4.546 -8.657 61 HE1 PHE 9 HE1 PHE 9 3.048 8.233 -11.888 62 HE2 PHE 9 HE2 PHE 9 4.422 4.779 -9.702 63 HZ PHE 9 HZ PHE 9 4.855 6.621 -11.338 64 H ALA 10 H ALA 10 -1.230 5.293 -5.726 65 HA ALA 10 HA ALA 10 -3.705 6.486 -5.381 66 1HB ALA 10 1HB ALA 10 -4.365 5.742 -7.654 67 2HB ALA 10 2HB ALA 10 -3.840 4.089 -7.276 68 3HB ALA 10 3HB ALA 10 -5.231 4.807 -6.437 69 H SER 11 H SER 11 -4.992 5.271 -3.811 70 HA SER 11 HA SER 11 -3.639 3.591 -1.936 71 2HB SER 11 2HB SER 11 -5.552 4.815 -1.180 72 HG SER 11 HG SER 11 -7.497 4.815 -2.447 73 H SER 12 H SER 12 -5.747 2.921 -4.751 74 HA SER 12 HA SER 12 -6.105 0.208 -4.208 75 2HB SER 12 2HB SER 12 -7.547 1.191 -5.769 76 HG SER 12 HG SER 12 -5.387 2.041 -7.386 77 H GLU 13 H GLU 13 -3.252 1.852 -5.421 78 HA GLU 13 HA GLU 13 -1.949 -0.353 -6.707 79 2HB GLU 13 2HB GLU 13 -0.669 1.666 -4.938 80 2HG GLU 13 2HG GLU 13 1.089 1.743 -6.744 81 H CYS 14 H CYS 14 -1.777 0.991 -3.398 82 HA CYS 14 HA CYS 14 0.038 -0.538 -2.105 83 2HB CYS 14 2HB CYS 14 -0.990 0.253 -0.123 84 H TRP 15 H TRP 15 -3.203 -1.167 -3.020 85 HA TRP 15 HA TRP 15 -3.726 -3.450 -1.223 86 2HB TRP 15 2HB TRP 15 -5.534 -4.000 -2.772 87 HD1 TRP 15 HD1 TRP 15 -4.700 -1.142 -0.719 88 HE1 TRP 15 HE1 TRP 15 -6.712 0.280 -0.147 89 HE3 TRP 15 HE3 TRP 15 -7.929 -3.055 -4.131 90 HZ2 TRP 15 HZ2 TRP 15 -9.445 0.631 -1.147 91 HZ3 TRP 15 HZ3 TRP 15 -10.248 -2.147 -4.341 92 HH2 TRP 15 HH2 TRP 15 -11.003 -0.309 -2.851 93 H THR 16 H THR 16 -2.960 -3.186 -4.740 94 HA THR 16 HA THR 16 -2.271 -5.885 -5.179 95 HB THR 16 HB THR 16 -1.503 -5.250 -7.101 96 HG1 THR 16 HG1 THR 16 -0.364 -2.755 -6.478 97 1HG2 THR 16 1HG2 THR 16 -3.730 -4.099 -6.929 98 2HG2 THR 16 2HG2 THR 16 -2.831 -2.575 -6.737 99 3HG2 THR 16 3HG2 THR 16 -2.667 -3.508 -8.223 100 H ALA 17 H ALA 17 -0.338 -3.137 -4.059 101 HA ALA 17 HA ALA 17 2.150 -4.438 -3.971 102 1HB ALA 17 1HB ALA 17 1.270 -2.443 -1.848 103 2HB ALA 17 2HB ALA 17 2.914 -2.800 -2.382 104 3HB ALA 17 3HB ALA 17 1.790 -1.991 -3.485 105 H CYS 18 H CYS 18 -0.179 -4.265 -1.248 106 HA CYS 18 HA CYS 18 1.275 -5.989 0.447 107 2HB CYS 18 2HB CYS 18 -1.715 -6.026 0.594 108 H LYS 19 H LYS 19 -1.088 -6.573 -2.146 109 HA LYS 19 HA LYS 19 -1.497 -9.295 -1.642 110 2HB LYS 19 2HB LYS 19 -2.202 -9.272 -4.064 111 2HG LYS 19 2HG LYS 19 -3.445 -7.070 -2.675 112 2HD LYS 19 2HD LYS 19 -5.546 -8.256 -3.173 113 2HE LYS 19 2HE LYS 19 -4.471 -6.980 -5.146 114 1HZ LYS 19 1HZ LYS 19 -4.220 -9.775 -6.092 115 2HZ LYS 19 2HZ LYS 19 -4.084 -8.441 -7.038 116 3HZ LYS 19 3HZ LYS 19 -2.964 -8.737 -5.869 117 H LYS 20 H LYS 20 0.741 -7.561 -3.661 118 HA LYS 20 HA LYS 20 2.039 -9.677 -5.027 119 2HB LYS 20 2HB LYS 20 4.081 -7.782 -4.433 120 2HG LYS 20 2HG LYS 20 3.594 -8.889 -6.601 121 2HD LYS 20 2HD LYS 20 1.071 -7.921 -6.539 122 2HE LYS 20 2HE LYS 20 0.790 -6.151 -8.191 123 1HZ LYS 20 1HZ LYS 20 1.384 -5.591 -5.794 124 2HZ LYS 20 2HZ LYS 20 2.733 -4.881 -6.430 125 3HZ LYS 20 3HZ LYS 20 1.216 -4.383 -6.882 126 H VAL 21 H VAL 21 3.096 -8.135 -1.920 127 HA VAL 21 HA VAL 21 5.041 -10.150 -1.427 128 HB VAL 21 HB VAL 21 4.235 -9.132 1.061 129 1HG1 VAL 21 1HG1 VAL 21 6.365 -7.807 0.828 130 2HG1 VAL 21 2HG1 VAL 21 6.569 -9.461 0.206 131 3HG1 VAL 21 3HG1 VAL 21 6.300 -8.110 -0.928 132 1HG2 VAL 21 1HG2 VAL 21 4.174 -6.752 0.911 133 2HG2 VAL 21 2HG2 VAL 21 4.242 -6.795 -0.859 134 3HG2 VAL 21 3HG2 VAL 21 2.825 -7.446 0.013 135 H THR 22 H THR 22 1.834 -9.690 0.142 136 HA THR 22 HA THR 22 2.193 -12.389 1.399 137 HB THR 22 HB THR 22 0.517 -11.620 3.004 138 HG1 THR 22 HG1 THR 22 0.629 -9.152 1.576 139 1HG2 THR 22 1HG2 THR 22 1.871 -10.023 4.208 140 2HG2 THR 22 2HG2 THR 22 2.943 -11.202 3.426 141 3HG2 THR 22 3HG2 THR 22 2.756 -9.570 2.744 142 H GLY 23 H GLY 23 -0.159 -10.340 -0.180 143 1HA GLY 23 1HA GLY 23 -1.930 -11.488 -1.699 144 2HA GLY 23 2HA GLY 23 -2.076 -12.674 -0.410 145 H SER 24 H SER 24 -1.525 -10.229 1.510 146 HA SER 24 HA SER 24 -4.318 -10.101 2.266 147 2HB SER 24 2HB SER 24 -3.424 -9.008 4.262 148 HG SER 24 HG SER 24 -1.851 -10.676 4.760 149 H GLY 25 H GLY 25 -4.770 -8.963 0.138 150 1HA GLY 25 1HA GLY 25 -3.614 -6.631 -0.663 151 2HA GLY 25 2HA GLY 25 -5.168 -7.227 -1.202 152 H GLN 26 H GLN 26 -4.683 -5.877 2.077 153 HA GLN 26 HA GLN 26 -6.918 -3.991 1.527 154 2HB GLN 26 2HB GLN 26 -7.394 -4.332 3.912 155 2HG GLN 26 2HG GLN 26 -6.857 -7.045 2.627 156 1HE2 GLN 26 1HE2 GLN 26 -9.375 -8.105 2.808 157 2HE2 GLN 26 2HE2 GLN 26 -9.859 -8.171 4.494 158 H GLY 27 H GLY 27 -6.219 -1.767 1.588 159 1HA GLY 27 1HA GLY 27 -4.483 -0.833 3.680 160 2HA GLY 27 2HA GLY 27 -3.592 -1.061 2.156 161 H LYS 28 H LYS 28 -3.349 1.350 2.591 162 HA LYS 28 HA LYS 28 -4.831 2.588 0.463 163 2HB LYS 28 2HB LYS 28 -5.145 4.746 1.893 164 2HG LYS 28 2HG LYS 28 -7.133 2.562 2.558 165 2HD LYS 28 2HD LYS 28 -7.331 5.572 2.104 166 2HE LYS 28 2HE LYS 28 -9.483 3.545 2.894 167 1HZ LYS 28 1HZ LYS 28 -9.825 5.735 3.841 168 2HZ LYS 28 2HZ LYS 28 -9.700 6.439 2.358 169 3HZ LYS 28 3HZ LYS 28 -10.946 5.419 2.683 170 H CYS 29 H CYS 29 -3.778 4.673 -0.104 171 HA CYS 29 HA CYS 29 -0.880 4.356 0.356 172 2HB CYS 29 2HB CYS 29 -1.802 4.767 -2.147 173 H GLN 30 H GLN 30 0.299 6.496 0.704 174 HA GLN 30 HA GLN 30 -1.333 8.725 1.625 175 2HB GLN 30 2HB GLN 30 1.048 7.663 3.203 176 2HG GLN 30 2HG GLN 30 0.961 9.994 3.592 177 1HE2 GLN 30 1HE2 GLN 30 -2.196 9.408 5.184 178 2HE2 GLN 30 2HE2 GLN 30 -3.040 10.638 4.265 179 H ASN 31 H ASN 31 -0.258 10.650 1.005 180 HA ASN 31 HA ASN 31 1.207 11.983 -0.040 181 2HB ASN 31 2HB ASN 31 3.212 10.190 1.444 182 1HD2 ASN 31 1HD2 ASN 31 5.143 10.857 0.440 183 2HD2 ASN 31 2HD2 ASN 31 5.562 12.554 0.222 184 H ASN 32 H ASN 32 3.446 9.348 -0.287 185 HA ASN 32 HA ASN 32 2.707 8.326 -2.785 186 2HB ASN 32 2HB ASN 32 4.873 8.642 -4.056 187 1HD2 ASN 32 1HD2 ASN 32 2.538 9.211 -4.887 188 2HD2 ASN 32 2HD2 ASN 32 2.144 10.909 -4.672 189 H GLN 33 H GLN 33 2.651 7.248 -0.521 190 HA GLN 33 HA GLN 33 4.726 5.207 -0.234 191 2HB GLN 33 2HB GLN 33 4.389 5.638 2.319 192 2HG GLN 33 2HG GLN 33 6.468 6.235 0.886 193 1HE2 GLN 33 1HE2 GLN 33 8.156 7.871 1.422 194 2HE2 GLN 33 2HE2 GLN 33 7.826 9.523 0.843 195 H CYS 34 H CYS 34 3.549 3.559 1.556 196 HA CYS 34 HA CYS 34 0.666 3.761 1.380 197 2HB CYS 34 2HB CYS 34 1.381 1.184 0.311 198 H ARG 35 H ARG 35 -0.483 2.076 2.445 199 HA ARG 35 HA ARG 35 1.125 0.764 4.527 200 2HB ARG 35 2HB ARG 35 -0.662 1.855 6.164 201 2HG ARG 35 2HG ARG 35 1.672 3.211 4.843 202 2HD ARG 35 2HD ARG 35 0.997 4.330 7.430 203 HE ARG 35 HE ARG 35 2.139 5.136 4.826 204 1HH1 ARG 35 1HH1 ARG 35 1.150 6.420 7.944 205 2HH1 ARG 35 2HH1 ARG 35 2.320 7.705 7.967 206 1HH2 ARG 35 1HH2 ARG 35 3.775 6.734 4.855 207 2HH2 ARG 35 2HH2 ARG 35 3.823 7.914 6.119 208 H CYS 36 H CYS 36 0.210 -1.109 5.372 209 HA CYS 36 HA CYS 36 -2.236 -2.020 3.871 210 2HB CYS 36 2HB CYS 36 0.187 -3.653 4.677 211 H TYR 37 H TYR 37 -3.560 -3.567 5.049 212 HA TYR 37 HA TYR 37 -3.726 -2.921 7.964 213 2HB TYR 37 2HB TYR 37 -6.111 -3.466 7.643 214 HD1 TYR 37 HD1 TYR 37 -4.165 -0.846 7.309 215 HD2 TYR 37 HD2 TYR 37 -7.600 -2.475 5.251 216 HE1 TYR 37 HE1 TYR 37 -4.752 1.399 6.500 217 HE2 TYR 37 HE2 TYR 37 -8.177 -0.219 4.448 218 HH TYR 37 HH TYR 37 -7.764 2.009 4.699 Start of MODEL 12 1 1H PHE 1 1H PHE 1 -1.976 -0.726 8.032 2 HA PHE 1 HA PHE 1 -1.171 -0.565 10.873 3 2HB PHE 1 2HB PHE 1 -1.676 -3.108 9.255 4 HD1 PHE 1 HD1 PHE 1 -3.250 -2.778 12.439 5 HD2 PHE 1 HD2 PHE 1 0.544 -3.798 10.631 6 HE1 PHE 1 HE1 PHE 1 -2.572 -3.947 14.508 7 HE2 PHE 1 HE2 PHE 1 1.229 -4.910 12.732 8 HZ PHE 1 HZ PHE 1 -0.325 -4.998 14.670 9 H GLY 2 H GLY 2 -0.263 -2.382 8.043 10 1HA GLY 2 1HA GLY 2 2.515 -2.407 7.913 11 2HA GLY 2 2HA GLY 2 1.428 -2.275 6.562 12 H LEU 3 H LEU 3 4.130 -0.861 7.153 13 HA LEU 3 HA LEU 3 3.140 1.472 5.790 14 2HB LEU 3 2HB LEU 3 3.388 2.379 8.092 15 HG LEU 3 HG LEU 3 6.316 1.462 7.731 16 1HD1 LEU 3 1HD1 LEU 3 6.838 2.987 9.624 17 2HD1 LEU 3 2HD1 LEU 3 6.243 3.890 8.227 18 3HD1 LEU 3 3HD1 LEU 3 5.177 3.616 9.624 19 1HD2 LEU 3 1HD2 LEU 3 4.977 -0.122 9.078 20 2HD2 LEU 3 2HD2 LEU 3 6.015 0.797 10.161 21 3HD2 LEU 3 3HD2 LEU 3 4.289 1.194 10.056 22 H ILE 4 H ILE 4 4.250 1.714 3.915 23 HA ILE 4 HA ILE 4 6.753 0.186 3.636 24 HB ILE 4 HB ILE 4 5.739 -0.932 1.861 25 2HG1 ILE 4 2HG1 ILE 4 4.378 1.451 1.183 26 1HG2 ILE 4 1HG2 ILE 4 3.347 -0.571 3.748 27 2HG2 ILE 4 2HG2 ILE 4 3.655 -1.915 2.630 28 3HG2 ILE 4 3HG2 ILE 4 4.723 -1.679 4.015 29 1HD1 ILE 4 1HD1 ILE 4 5.373 -0.282 -0.301 30 2HD1 ILE 4 2HD1 ILE 4 4.031 -1.367 0.133 31 3HD1 ILE 4 3HD1 ILE 4 3.697 0.151 -0.739 32 H ASP 5 H ASP 5 7.866 0.868 1.541 33 HA ASP 5 HA ASP 5 8.064 3.783 1.612 34 2HB ASP 5 2HB ASP 5 10.029 2.308 1.888 35 H VAL 6 H VAL 6 6.513 1.436 -0.438 36 HA VAL 6 HA VAL 6 7.679 2.392 -2.838 37 HB VAL 6 HB VAL 6 5.282 0.570 -2.497 38 1HG1 VAL 6 1HG1 VAL 6 7.043 1.115 -4.924 39 2HG1 VAL 6 2HG1 VAL 6 5.883 -0.223 -4.781 40 3HG1 VAL 6 3HG1 VAL 6 5.299 1.443 -4.783 41 1HG2 VAL 6 1HG2 VAL 6 7.396 -0.289 -1.439 42 2HG2 VAL 6 2HG2 VAL 6 6.978 -1.212 -2.881 43 3HG2 VAL 6 3HG2 VAL 6 8.259 0.013 -2.951 44 H LYS 7 H LYS 7 7.128 3.775 -4.321 45 HA LYS 7 HA LYS 7 5.593 5.993 -4.254 46 2HB LYS 7 2HB LYS 7 6.415 4.156 -6.500 47 2HG LYS 7 2HG LYS 7 6.127 6.823 -7.484 48 2HD LYS 7 2HD LYS 7 4.652 4.209 -8.035 49 2HE LYS 7 2HE LYS 7 4.762 6.752 -9.727 50 1HZ LYS 7 1HZ LYS 7 4.665 4.734 -11.028 51 2HZ LYS 7 2HZ LYS 7 3.369 4.189 -10.173 52 3HZ LYS 7 3HZ LYS 7 3.228 5.530 -11.117 53 H CYS 8 H CYS 8 3.476 6.103 -3.584 54 HA CYS 8 HA CYS 8 1.380 4.254 -4.610 55 2HB CYS 8 2HB CYS 8 1.439 6.028 -2.509 56 H PHE 9 H PHE 9 0.334 4.505 -6.498 57 HA PHE 9 HA PHE 9 0.321 7.195 -7.821 58 2HB PHE 9 2HB PHE 9 -0.699 4.480 -8.780 59 HD1 PHE 9 HD1 PHE 9 0.620 7.743 -10.182 60 HD2 PHE 9 HD2 PHE 9 -2.467 4.724 -10.322 61 HE1 PHE 9 HE1 PHE 9 -0.445 8.910 -12.087 62 HE2 PHE 9 HE2 PHE 9 -3.522 5.903 -12.222 63 HZ PHE 9 HZ PHE 9 -2.516 7.993 -13.112 64 H ALA 10 H ALA 10 -1.338 5.204 -5.573 65 HA ALA 10 HA ALA 10 -3.585 6.741 -5.160 66 1HB ALA 10 1HB ALA 10 -5.352 5.245 -6.162 67 2HB ALA 10 2HB ALA 10 -4.427 6.083 -7.411 68 3HB ALA 10 3HB ALA 10 -4.084 4.378 -7.048 69 H SER 11 H SER 11 -5.124 5.367 -3.698 70 HA SER 11 HA SER 11 -3.678 3.677 -1.883 71 2HB SER 11 2HB SER 11 -5.568 4.854 -1.009 72 HG SER 11 HG SER 11 -7.536 4.958 -2.197 73 H SER 12 H SER 12 -5.781 3.057 -4.716 74 HA SER 12 HA SER 12 -6.249 0.365 -4.181 75 2HB SER 12 2HB SER 12 -7.588 1.344 -5.843 76 HG SER 12 HG SER 12 -6.632 2.575 -7.557 77 H GLU 13 H GLU 13 -3.580 1.934 -5.862 78 HA GLU 13 HA GLU 13 -1.960 -0.068 -6.828 79 2HB GLU 13 2HB GLU 13 -1.020 1.961 -4.865 80 2HG GLU 13 2HG GLU 13 0.789 2.423 -6.609 81 H CYS 14 H CYS 14 -2.065 1.051 -3.412 82 HA CYS 14 HA CYS 14 -0.116 -0.498 -2.269 83 2HB CYS 14 2HB CYS 14 -1.091 0.229 -0.215 84 H TRP 15 H TRP 15 -3.381 -1.119 -3.155 85 HA TRP 15 HA TRP 15 -3.862 -3.398 -1.347 86 2HB TRP 15 2HB TRP 15 -5.711 -3.970 -2.804 87 HD1 TRP 15 HD1 TRP 15 -4.845 -1.131 -0.853 88 HE1 TRP 15 HE1 TRP 15 -6.813 0.329 -0.257 89 HE3 TRP 15 HE3 TRP 15 -8.135 -2.916 -4.307 90 HZ2 TRP 15 HZ2 TRP 15 -9.547 0.760 -1.259 91 HZ3 TRP 15 HZ3 TRP 15 -10.418 -1.960 -4.480 92 HH2 TRP 15 HH2 TRP 15 -11.131 -0.126 -2.965 93 H THR 16 H THR 16 -3.318 -3.216 -4.912 94 HA THR 16 HA THR 16 -2.520 -5.908 -5.271 95 HB THR 16 HB THR 16 -1.235 -4.524 -7.264 96 HG1 THR 16 HG1 THR 16 -1.892 -2.505 -6.311 97 1HG2 THR 16 1HG2 THR 16 -3.342 -4.751 -8.547 98 2HG2 THR 16 2HG2 THR 16 -3.024 -6.207 -7.586 99 3HG2 THR 16 3HG2 THR 16 -4.239 -5.019 -7.038 100 H ALA 17 H ALA 17 -0.582 -3.051 -4.141 101 HA ALA 17 HA ALA 17 1.885 -4.447 -4.392 102 1HB ALA 17 1HB ALA 17 2.798 -2.776 -2.874 103 2HB ALA 17 2HB ALA 17 1.666 -1.973 -3.975 104 3HB ALA 17 3HB ALA 17 1.184 -2.333 -2.303 105 H CYS 18 H CYS 18 -0.282 -4.137 -1.558 106 HA CYS 18 HA CYS 18 1.234 -5.772 0.182 107 2HB CYS 18 2HB CYS 18 -1.797 -5.714 0.264 108 H LYS 19 H LYS 19 -1.215 -6.512 -2.280 109 HA LYS 19 HA LYS 19 -1.535 -9.242 -1.636 110 2HB LYS 19 2HB LYS 19 -2.313 -9.252 -4.109 111 2HG LYS 19 2HG LYS 19 -3.555 -7.103 -2.565 112 2HD LYS 19 2HD LYS 19 -5.659 -8.342 -3.166 113 2HE LYS 19 2HE LYS 19 -3.927 -7.911 -5.648 114 1HZ LYS 19 1HZ LYS 19 -6.859 -7.906 -5.345 115 2HZ LYS 19 2HZ LYS 19 -6.030 -7.558 -6.718 116 3HZ LYS 19 3HZ LYS 19 -5.978 -9.077 -6.095 117 H LYS 20 H LYS 20 0.325 -7.665 -4.213 118 HA LYS 20 HA LYS 20 1.740 -9.852 -5.238 119 2HB LYS 20 2HB LYS 20 3.567 -8.058 -5.742 120 2HG LYS 20 2HG LYS 20 2.083 -6.764 -7.297 121 2HD LYS 20 2HD LYS 20 1.625 -9.774 -7.436 122 2HE LYS 20 2HE LYS 20 2.019 -7.626 -9.580 123 1HZ LYS 20 1HZ LYS 20 1.580 -9.404 -11.103 124 2HZ LYS 20 2HZ LYS 20 2.932 -9.743 -10.235 125 3HZ LYS 20 3HZ LYS 20 1.518 -10.514 -9.892 126 H VAL 21 H VAL 21 2.792 -7.762 -2.360 127 HA VAL 21 HA VAL 21 5.212 -9.124 -2.030 128 HB VAL 21 HB VAL 21 3.306 -7.317 -0.478 129 1HG1 VAL 21 1HG1 VAL 21 5.189 -6.802 0.964 130 2HG1 VAL 21 2HG1 VAL 21 4.467 -8.414 1.116 131 3HG1 VAL 21 3HG1 VAL 21 6.036 -8.234 0.269 132 1HG2 VAL 21 1HG2 VAL 21 6.039 -6.764 -1.747 133 2HG2 VAL 21 2HG2 VAL 21 4.520 -6.374 -2.563 134 3HG2 VAL 21 3HG2 VAL 21 4.936 -5.558 -1.047 135 H THR 22 H THR 22 2.061 -9.136 -0.172 136 HA THR 22 HA THR 22 3.067 -11.472 1.234 137 HB THR 22 HB THR 22 1.861 -8.849 1.968 138 HG1 THR 22 HG1 THR 22 3.366 -9.171 3.657 139 1HG2 THR 22 1HG2 THR 22 0.187 -10.235 2.812 140 2HG2 THR 22 2HG2 THR 22 1.348 -11.359 3.572 141 3HG2 THR 22 3HG2 THR 22 1.172 -9.684 4.173 142 H GLY 23 H GLY 23 0.172 -10.002 -0.253 143 1HA GLY 23 1HA GLY 23 -1.440 -11.558 -1.321 144 2HA GLY 23 2HA GLY 23 -1.380 -12.556 0.124 145 H SER 24 H SER 24 -1.237 -9.802 1.606 146 HA SER 24 HA SER 24 -4.005 -10.225 2.479 147 2HB SER 24 2HB SER 24 -3.253 -9.066 4.508 148 HG SER 24 HG SER 24 -2.573 -11.279 4.095 149 H GLY 25 H GLY 25 -4.512 -9.129 0.322 150 1HA GLY 25 1HA GLY 25 -3.587 -6.826 -0.539 151 2HA GLY 25 2HA GLY 25 -5.151 -7.452 -1.003 152 H GLN 26 H GLN 26 -5.109 -6.113 2.270 153 HA GLN 26 HA GLN 26 -6.938 -3.995 1.270 154 2HB GLN 26 2HB GLN 26 -7.953 -4.124 3.415 155 2HG GLN 26 2HG GLN 26 -7.432 -6.971 2.450 156 1HE2 GLN 26 1HE2 GLN 26 -7.922 -7.436 4.812 157 2HE2 GLN 26 2HE2 GLN 26 -9.617 -7.481 5.261 158 H GLY 27 H GLY 27 -6.066 -1.933 1.295 159 1HA GLY 27 1HA GLY 27 -4.413 -0.994 3.508 160 2HA GLY 27 2HA GLY 27 -3.540 -1.283 1.976 161 H LYS 28 H LYS 28 -3.189 1.144 2.398 162 HA LYS 28 HA LYS 28 -4.811 2.608 0.507 163 2HB LYS 28 2HB LYS 28 -5.199 4.559 2.037 164 2HG LYS 28 2HG LYS 28 -6.624 2.149 3.209 165 2HD LYS 28 2HD LYS 28 -7.426 5.083 2.848 166 2HE LYS 28 2HE LYS 28 -9.307 4.470 4.371 167 1HZ LYS 28 1HZ LYS 28 -9.725 4.369 2.005 168 2HZ LYS 28 2HZ LYS 28 -9.299 2.775 1.961 169 3HZ LYS 28 3HZ LYS 28 -10.620 3.258 2.813 170 H CYS 29 H CYS 29 -3.711 4.682 -0.035 171 HA CYS 29 HA CYS 29 -0.812 4.340 0.402 172 2HB CYS 29 2HB CYS 29 -1.769 4.806 -2.106 173 H GLN 30 H GLN 30 0.405 6.355 0.853 174 HA GLN 30 HA GLN 30 -1.116 8.672 1.841 175 2HB GLN 30 2HB GLN 30 1.362 7.534 3.194 176 2HG GLN 30 2HG GLN 30 1.166 9.926 3.546 177 1HE2 GLN 30 1HE2 GLN 30 -1.479 8.861 5.722 178 2HE2 GLN 30 2HE2 GLN 30 -2.627 10.055 5.143 179 H ASN 31 H ASN 31 -0.315 10.372 0.639 180 HA ASN 31 HA ASN 31 1.136 11.780 -0.332 181 2HB ASN 31 2HB ASN 31 3.397 10.247 1.064 182 1HD2 ASN 31 1HD2 ASN 31 4.743 11.269 -0.655 183 2HD2 ASN 31 2HD2 ASN 31 5.068 12.984 -0.494 184 H ASN 32 H ASN 32 3.159 8.928 -0.388 185 HA ASN 32 HA ASN 32 2.849 7.985 -2.842 186 2HB ASN 32 2HB ASN 32 5.642 8.993 -3.195 187 1HD2 ASN 32 1HD2 ASN 32 2.354 9.996 -4.100 188 2HD2 ASN 32 2HD2 ASN 32 2.261 8.836 -5.355 189 H GLN 33 H GLN 33 2.772 7.017 -0.418 190 HA GLN 33 HA GLN 33 4.724 4.908 -0.366 191 2HB GLN 33 2HB GLN 33 4.844 5.264 2.166 192 2HG GLN 33 2HG GLN 33 6.092 7.586 0.648 193 1HE2 GLN 33 1HE2 GLN 33 8.662 6.128 1.633 194 2HE2 GLN 33 2HE2 GLN 33 8.782 6.672 3.298 195 H CYS 34 H CYS 34 3.565 3.349 1.588 196 HA CYS 34 HA CYS 34 0.664 3.663 1.477 197 2HB CYS 34 2HB CYS 34 1.187 1.073 0.502 198 H ARG 35 H ARG 35 -0.468 1.888 2.435 199 HA ARG 35 HA ARG 35 1.001 0.576 4.634 200 2HB ARG 35 2HB ARG 35 -0.863 1.297 6.173 201 2HG ARG 35 2HG ARG 35 0.452 3.654 4.876 202 2HD ARG 35 2HD ARG 35 -1.054 4.022 6.881 203 HE ARG 35 HE ARG 35 0.698 1.987 7.732 204 1HH1 ARG 35 1HH1 ARG 35 -0.970 4.798 9.013 205 2HH1 ARG 35 2HH1 ARG 35 -1.006 4.287 10.675 206 1HH2 ARG 35 1HH2 ARG 35 0.752 1.244 10.001 207 2HH2 ARG 35 2HH2 ARG 35 0.020 2.206 11.242 208 H CYS 36 H CYS 36 -0.129 -1.119 5.528 209 HA CYS 36 HA CYS 36 -2.509 -2.152 4.005 210 2HB CYS 36 2HB CYS 36 -0.015 -3.812 4.551 211 H TYR 37 H TYR 37 -3.651 -3.869 5.166 212 HA TYR 37 HA TYR 37 -3.854 -3.090 7.944 213 2HB TYR 37 2HB TYR 37 -5.667 -3.808 6.097 214 HD1 TYR 37 HD1 TYR 37 -4.670 -6.058 5.008 215 HD2 TYR 37 HD2 TYR 37 -6.703 -5.843 8.810 216 HE1 TYR 37 HE1 TYR 37 -5.435 -8.398 4.743 217 HE2 TYR 37 HE2 TYR 37 -7.327 -8.231 8.604 218 HH TYR 37 HH TYR 37 -6.494 -10.208 5.749 Start of MODEL 13 1 1H PHE 1 1H PHE 1 1.467 -6.542 8.774 2 HA PHE 1 HA PHE 1 0.586 -4.455 7.045 3 2HB PHE 1 2HB PHE 1 -1.148 -4.081 8.717 4 HD1 PHE 1 HD1 PHE 1 -1.953 -6.390 10.608 5 HD2 PHE 1 HD2 PHE 1 -0.615 -6.306 6.499 6 HE1 PHE 1 HE1 PHE 1 -3.112 -8.531 10.178 7 HE2 PHE 1 HE2 PHE 1 -1.662 -8.497 6.124 8 HZ PHE 1 HZ PHE 1 -2.962 -9.604 7.946 9 H GLY 2 H GLY 2 0.352 -2.216 7.481 10 1HA GLY 2 1HA GLY 2 0.703 -0.476 9.112 11 2HA GLY 2 2HA GLY 2 2.408 -0.977 9.307 12 H LEU 3 H LEU 3 3.858 0.104 7.897 13 HA LEU 3 HA LEU 3 2.724 1.522 5.583 14 2HB LEU 3 2HB LEU 3 2.745 3.182 7.398 15 HG LEU 3 HG LEU 3 5.646 2.241 7.780 16 1HD1 LEU 3 1HD1 LEU 3 6.198 4.474 8.707 17 2HD1 LEU 3 2HD1 LEU 3 5.858 4.559 6.974 18 3HD1 LEU 3 3HD1 LEU 3 4.646 5.134 8.141 19 1HD2 LEU 3 1HD2 LEU 3 3.518 3.440 9.681 20 2HD2 LEU 3 2HD2 LEU 3 3.869 1.708 9.499 21 3HD2 LEU 3 3HD2 LEU 3 5.109 2.799 10.130 22 H ILE 4 H ILE 4 4.022 1.929 3.811 23 HA ILE 4 HA ILE 4 6.653 0.678 3.743 24 HB ILE 4 HB ILE 4 5.816 -0.654 1.990 25 2HG1 ILE 4 2HG1 ILE 4 4.267 1.581 1.087 26 1HG2 ILE 4 1HG2 ILE 4 3.249 -0.336 3.637 27 2HG2 ILE 4 2HG2 ILE 4 3.719 -1.716 2.628 28 3HG2 ILE 4 3HG2 ILE 4 4.645 -1.357 4.094 29 1HD1 ILE 4 1HD1 ILE 4 4.403 -1.271 0.117 30 2HD1 ILE 4 2HD1 ILE 4 3.902 0.172 -0.808 31 3HD1 ILE 4 3HD1 ILE 4 5.593 0.010 -0.251 32 H ASP 5 H ASP 5 7.779 1.597 1.784 33 HA ASP 5 HA ASP 5 6.932 4.424 1.229 34 2HB ASP 5 2HB ASP 5 9.452 4.789 1.209 35 H VAL 6 H VAL 6 6.086 2.368 -0.444 36 HA VAL 6 HA VAL 6 7.773 2.805 -2.881 37 HB VAL 6 HB VAL 6 5.460 0.900 -2.454 38 1HG1 VAL 6 1HG1 VAL 6 5.476 1.676 -4.777 39 2HG1 VAL 6 2HG1 VAL 6 7.230 1.398 -4.885 40 3HG1 VAL 6 3HG1 VAL 6 6.115 0.030 -4.696 41 1HG2 VAL 6 1HG2 VAL 6 8.453 0.421 -2.884 42 2HG2 VAL 6 2HG2 VAL 6 7.620 0.220 -1.336 43 3HG2 VAL 6 3HG2 VAL 6 7.211 -0.834 -2.698 44 H LYS 7 H LYS 7 7.101 4.115 -4.437 45 HA LYS 7 HA LYS 7 5.362 6.221 -3.935 46 2HB LYS 7 2HB LYS 7 7.018 6.665 -5.456 47 2HG LYS 7 2HG LYS 7 6.602 5.300 -7.830 48 2HD LYS 7 2HD LYS 7 8.616 4.739 -5.606 49 2HE LYS 7 2HE LYS 7 8.689 4.014 -8.577 50 1HZ LYS 7 1HZ LYS 7 10.699 3.556 -6.467 51 2HZ LYS 7 2HZ LYS 7 10.784 3.014 -8.013 52 3HZ LYS 7 3HZ LYS 7 10.844 4.627 -7.710 53 H CYS 8 H CYS 8 3.278 6.009 -3.490 54 HA CYS 8 HA CYS 8 1.325 4.314 -4.832 55 2HB CYS 8 2HB CYS 8 1.291 6.109 -2.748 56 H PHE 9 H PHE 9 0.781 4.491 -6.903 57 HA PHE 9 HA PHE 9 0.420 7.136 -8.193 58 2HB PHE 9 2HB PHE 9 -0.717 4.563 -9.270 59 HD1 PHE 9 HD1 PHE 9 -2.055 6.462 -10.533 60 HD2 PHE 9 HD2 PHE 9 2.215 5.935 -10.852 61 HE1 PHE 9 HE1 PHE 9 -2.038 7.799 -12.620 62 HE2 PHE 9 HE2 PHE 9 2.222 7.252 -12.947 63 HZ PHE 9 HZ PHE 9 0.099 8.197 -13.833 64 H ALA 10 H ALA 10 -1.169 4.986 -5.956 65 HA ALA 10 HA ALA 10 -3.429 6.579 -5.545 66 1HB ALA 10 1HB ALA 10 -5.210 5.026 -6.416 67 2HB ALA 10 2HB ALA 10 -4.288 5.761 -7.728 68 3HB ALA 10 3HB ALA 10 -3.954 4.086 -7.246 69 H SER 11 H SER 11 -4.999 5.258 -4.063 70 HA SER 11 HA SER 11 -3.587 3.625 -2.077 71 2HB SER 11 2HB SER 11 -6.020 3.156 -1.394 72 HG SER 11 HG SER 11 -5.139 5.858 -1.715 73 H SER 12 H SER 12 -5.537 2.797 -5.008 74 HA SER 12 HA SER 12 -5.905 0.107 -4.286 75 2HB SER 12 2HB SER 12 -7.254 0.956 -5.997 76 HG SER 12 HG SER 12 -5.124 1.750 -7.635 77 H GLU 13 H GLU 13 -3.197 1.792 -5.765 78 HA GLU 13 HA GLU 13 -1.387 -0.102 -6.603 79 2HB GLU 13 2HB GLU 13 -0.871 1.944 -4.471 80 2HG GLU 13 2HG GLU 13 1.018 0.390 -5.639 81 H CYS 14 H CYS 14 -2.094 0.877 -3.210 82 HA CYS 14 HA CYS 14 -0.054 -0.554 -1.921 83 2HB CYS 14 2HB CYS 14 -1.167 0.184 0.029 84 H TRP 15 H TRP 15 -3.272 -1.166 -3.014 85 HA TRP 15 HA TRP 15 -3.827 -3.459 -1.257 86 2HB TRP 15 2HB TRP 15 -5.610 -3.997 -2.804 87 HD1 TRP 15 HD1 TRP 15 -4.820 -1.086 -0.811 88 HE1 TRP 15 HE1 TRP 15 -6.867 0.317 -0.274 89 HE3 TRP 15 HE3 TRP 15 -7.997 -3.100 -4.216 90 HZ2 TRP 15 HZ2 TRP 15 -9.584 0.623 -1.320 91 HZ3 TRP 15 HZ3 TRP 15 -10.284 -2.165 -4.529 92 HH2 TRP 15 HH2 TRP 15 -11.097 -0.335 -3.057 93 H THR 16 H THR 16 -3.085 -3.173 -4.812 94 HA THR 16 HA THR 16 -2.331 -5.872 -5.175 95 HB THR 16 HB THR 16 -0.890 -4.557 -7.057 96 HG1 THR 16 HG1 THR 16 -1.375 -2.502 -6.045 97 1HG2 THR 16 1HG2 THR 16 -2.948 -4.508 -8.435 98 2HG2 THR 16 2HG2 THR 16 -2.838 -6.017 -7.508 99 3HG2 THR 16 3HG2 THR 16 -3.935 -4.716 -6.977 100 H ALA 17 H ALA 17 -0.393 -3.134 -3.840 101 HA ALA 17 HA ALA 17 2.083 -4.546 -4.018 102 1HB ALA 17 1HB ALA 17 1.269 -2.419 -1.972 103 2HB ALA 17 2HB ALA 17 2.914 -2.895 -2.403 104 3HB ALA 17 3HB ALA 17 1.893 -2.074 -3.597 105 H CYS 18 H CYS 18 -0.228 -4.199 -1.301 106 HA CYS 18 HA CYS 18 1.186 -5.909 0.468 107 2HB CYS 18 2HB CYS 18 -1.814 -5.814 0.612 108 H LYS 19 H LYS 19 -1.189 -6.510 -2.108 109 HA LYS 19 HA LYS 19 -1.657 -9.228 -1.488 110 2HB LYS 19 2HB LYS 19 -2.323 -9.210 -3.983 111 2HG LYS 19 2HG LYS 19 -3.537 -7.000 -2.562 112 2HD LYS 19 2HD LYS 19 -5.650 -8.183 -3.165 113 2HE LYS 19 2HE LYS 19 -3.846 -7.849 -5.611 114 1HZ LYS 19 1HZ LYS 19 -5.932 -8.935 -6.098 115 2HZ LYS 19 2HZ LYS 19 -6.781 -7.726 -5.373 116 3HZ LYS 19 3HZ LYS 19 -5.912 -7.419 -6.732 117 H LYS 20 H LYS 20 0.479 -7.667 -3.827 118 HA LYS 20 HA LYS 20 1.846 -9.899 -4.877 119 2HB LYS 20 2HB LYS 20 3.885 -8.049 -4.689 120 2HG LYS 20 2HG LYS 20 3.019 -9.119 -6.753 121 2HD LYS 20 2HD LYS 20 1.168 -6.679 -6.811 122 2HE LYS 20 2HE LYS 20 0.218 -7.769 -8.837 123 1HZ LYS 20 1HZ LYS 20 1.994 -6.168 -9.151 124 2HZ LYS 20 2HZ LYS 20 3.125 -7.364 -9.101 125 3HZ LYS 20 3HZ LYS 20 2.022 -7.325 -10.316 126 H VAL 21 H VAL 21 2.756 -8.016 -1.815 127 HA VAL 21 HA VAL 21 4.995 -9.589 -1.290 128 HB VAL 21 HB VAL 21 3.089 -7.695 0.160 129 1HG1 VAL 21 1HG1 VAL 21 5.754 -8.737 0.995 130 2HG1 VAL 21 2HG1 VAL 21 4.948 -7.284 1.686 131 3HG1 VAL 21 3HG1 VAL 21 4.160 -8.869 1.800 132 1HG2 VAL 21 1HG2 VAL 21 4.854 -6.017 -0.293 133 2HG2 VAL 21 2HG2 VAL 21 5.911 -7.290 -0.959 134 3HG2 VAL 21 3HG2 VAL 21 4.467 -6.785 -1.843 135 H THR 22 H THR 22 1.681 -9.388 0.130 136 HA THR 22 HA THR 22 2.198 -11.930 1.453 137 HB THR 22 HB THR 22 2.957 -10.259 2.961 138 HG1 THR 22 HG1 THR 22 0.560 -11.492 3.705 139 1HG2 THR 22 1HG2 THR 22 1.691 -8.287 2.248 140 2HG2 THR 22 2HG2 THR 22 0.176 -9.019 2.817 141 3HG2 THR 22 3HG2 THR 22 1.449 -8.587 3.975 142 H GLY 23 H GLY 23 0.177 -11.005 -0.735 143 1HA GLY 23 1HA GLY 23 -1.916 -11.697 -1.335 144 2HA GLY 23 2HA GLY 23 -1.990 -12.642 0.150 145 H SER 24 H SER 24 -1.614 -10.049 1.726 146 HA SER 24 HA SER 24 -4.476 -9.953 2.265 147 2HB SER 24 2HB SER 24 -2.239 -8.568 3.777 148 HG SER 24 HG SER 24 -3.805 -8.886 5.474 149 H GLY 25 H GLY 25 -4.891 -8.850 0.214 150 1HA GLY 25 1HA GLY 25 -3.715 -6.530 -0.600 151 2HA GLY 25 2HA GLY 25 -5.277 -7.114 -1.155 152 H GLN 26 H GLN 26 -4.903 -5.820 2.166 153 HA GLN 26 HA GLN 26 -7.056 -3.882 1.488 154 2HB GLN 26 2HB GLN 26 -7.681 -4.116 3.796 155 2HG GLN 26 2HG GLN 26 -7.066 -6.894 2.700 156 1HE2 GLN 26 1HE2 GLN 26 -9.892 -4.998 3.974 157 2HE2 GLN 26 2HE2 GLN 26 -10.311 -6.211 5.172 158 H GLY 27 H GLY 27 -6.149 -1.789 1.232 159 1HA GLY 27 1HA GLY 27 -4.387 -0.746 3.329 160 2HA GLY 27 2HA GLY 27 -3.603 -1.071 1.759 161 H LYS 28 H LYS 28 -3.201 1.323 2.126 162 HA LYS 28 HA LYS 28 -4.875 2.902 0.411 163 2HB LYS 28 2HB LYS 28 -4.914 3.347 3.445 164 2HG LYS 28 2HG LYS 28 -5.656 5.379 1.294 165 2HD LYS 28 2HD LYS 28 -6.343 6.816 3.192 166 2HE LYS 28 2HE LYS 28 -8.467 5.859 3.823 167 1HZ LYS 28 1HZ LYS 28 -8.274 6.333 1.467 168 2HZ LYS 28 2HZ LYS 28 -7.775 4.789 1.167 169 3HZ LYS 28 3HZ LYS 28 -9.294 5.067 1.732 170 H CYS 29 H CYS 29 -3.768 4.746 -0.305 171 HA CYS 29 HA CYS 29 -0.881 4.482 0.253 172 2HB CYS 29 2HB CYS 29 -1.756 4.812 -2.233 173 H GLN 30 H GLN 30 0.378 6.277 0.917 174 HA GLN 30 HA GLN 30 -1.016 8.531 2.308 175 2HB GLN 30 2HB GLN 30 1.692 7.332 3.013 176 2HG GLN 30 2HG GLN 30 0.898 9.680 3.846 177 1HE2 GLN 30 1HE2 GLN 30 -1.262 10.349 4.296 178 2HE2 GLN 30 2HE2 GLN 30 -2.217 9.681 5.605 179 H ASN 31 H ASN 31 -0.631 10.227 0.795 180 HA ASN 31 HA ASN 31 0.504 11.707 -0.473 181 2HB ASN 31 2HB ASN 31 2.963 11.982 0.140 182 1HD2 ASN 31 1HD2 ASN 31 3.517 13.308 2.009 183 2HD2 ASN 31 2HD2 ASN 31 2.233 13.903 3.049 184 H ASN 32 H ASN 32 3.231 9.545 -0.440 185 HA ASN 32 HA ASN 32 2.535 8.092 -2.794 186 2HB ASN 32 2HB ASN 32 4.534 8.578 -4.208 187 1HD2 ASN 32 1HD2 ASN 32 2.283 8.916 -5.122 188 2HD2 ASN 32 2HD2 ASN 32 1.670 10.555 -4.926 189 H GLN 33 H GLN 33 2.673 7.319 -0.406 190 HA GLN 33 HA GLN 33 4.790 5.311 -0.278 191 2HB GLN 33 2HB GLN 33 4.674 5.622 2.235 192 2HG GLN 33 2HG GLN 33 6.495 6.749 0.651 193 1HE2 GLN 33 1HE2 GLN 33 7.655 8.903 2.103 194 2HE2 GLN 33 2HE2 GLN 33 6.872 10.394 1.596 195 H CYS 34 H CYS 34 3.587 3.566 1.485 196 HA CYS 34 HA CYS 34 0.696 3.723 1.078 197 2HB CYS 34 2HB CYS 34 1.554 1.153 0.157 198 H ARG 35 H ARG 35 -0.569 2.142 2.109 199 HA ARG 35 HA ARG 35 0.870 0.951 4.397 200 2HB ARG 35 2HB ARG 35 -0.787 1.999 5.937 201 2HG ARG 35 2HG ARG 35 0.498 3.990 4.089 202 2HD ARG 35 2HD ARG 35 -0.945 5.044 5.770 203 HE ARG 35 HE ARG 35 0.488 3.280 7.335 204 1HH1 ARG 35 1HH1 ARG 35 -0.311 6.743 7.402 205 2HH1 ARG 35 2HH1 ARG 35 -0.132 6.943 9.113 206 1HH2 ARG 35 1HH2 ARG 35 0.713 3.527 9.705 207 2HH2 ARG 35 2HH2 ARG 35 0.469 5.070 10.457 208 H CYS 36 H CYS 36 -0.324 -0.539 5.565 209 HA CYS 36 HA CYS 36 -2.531 -1.843 4.037 210 2HB CYS 36 2HB CYS 36 0.089 -3.282 4.517 211 H TYR 37 H TYR 37 -3.812 -3.161 5.182 212 HA TYR 37 HA TYR 37 -3.612 -2.900 8.142 213 2HB TYR 37 2HB TYR 37 -5.915 -3.229 6.178 214 HD1 TYR 37 HD1 TYR 37 -7.683 -4.470 7.106 215 HD2 TYR 37 HD2 TYR 37 -5.409 -1.824 9.645 216 HE1 TYR 37 HE1 TYR 37 -9.230 -4.932 8.979 217 HE2 TYR 37 HE2 TYR 37 -6.950 -2.300 11.521 218 HH TYR 37 HH TYR 37 -8.820 -3.460 12.213 Start of MODEL 14 1 1H PHE 1 1H PHE 1 2.293 -5.625 9.193 2 HA PHE 1 HA PHE 1 0.458 -4.675 7.276 3 2HB PHE 1 2HB PHE 1 -1.258 -3.776 8.828 4 HD1 PHE 1 HD1 PHE 1 -1.352 -6.018 6.841 5 HD2 PHE 1 HD2 PHE 1 -2.013 -5.980 11.112 6 HE1 PHE 1 HE1 PHE 1 -2.833 -7.980 6.644 7 HE2 PHE 1 HE2 PHE 1 -3.527 -7.921 10.888 8 HZ PHE 1 HZ PHE 1 -3.940 -8.932 8.653 9 H GLY 2 H GLY 2 0.152 -2.225 7.706 10 1HA GLY 2 1HA GLY 2 0.702 -0.439 9.135 11 2HA GLY 2 2HA GLY 2 2.371 -1.033 9.367 12 H LEU 3 H LEU 3 3.833 0.148 8.055 13 HA LEU 3 HA LEU 3 2.712 1.551 5.706 14 2HB LEU 3 2HB LEU 3 2.706 3.144 7.577 15 HG LEU 3 HG LEU 3 5.694 2.417 7.818 16 1HD1 LEU 3 1HD1 LEU 3 5.590 4.807 7.211 17 2HD1 LEU 3 2HD1 LEU 3 4.371 5.125 8.465 18 3HD1 LEU 3 3HD1 LEU 3 6.013 4.621 8.920 19 1HD2 LEU 3 1HD2 LEU 3 3.497 3.175 9.869 20 2HD2 LEU 3 2HD2 LEU 3 4.108 1.534 9.570 21 3HD2 LEU 3 3HD2 LEU 3 5.182 2.764 10.237 22 H ILE 4 H ILE 4 3.956 1.915 3.914 23 HA ILE 4 HA ILE 4 6.541 0.561 3.812 24 HB ILE 4 HB ILE 4 5.616 -0.773 2.119 25 2HG1 ILE 4 2HG1 ILE 4 4.139 1.432 1.186 26 1HG2 ILE 4 1HG2 ILE 4 3.555 -1.787 2.922 27 2HG2 ILE 4 2HG2 ILE 4 4.561 -1.380 4.321 28 3HG2 ILE 4 3HG2 ILE 4 3.152 -0.361 3.896 29 1HD1 ILE 4 1HD1 ILE 4 3.378 -0.234 -0.486 30 2HD1 ILE 4 2HD1 ILE 4 5.143 -0.334 -0.187 31 3HD1 ILE 4 3HD1 ILE 4 4.034 -1.531 0.528 32 H ASP 5 H ASP 5 7.612 1.210 1.630 33 HA ASP 5 HA ASP 5 7.595 4.127 1.613 34 2HB ASP 5 2HB ASP 5 9.654 2.749 1.880 35 H VAL 6 H VAL 6 6.166 1.645 -0.383 36 HA VAL 6 HA VAL 6 7.314 2.508 -2.749 37 HB VAL 6 HB VAL 6 6.171 0.273 -2.194 38 1HG1 VAL 6 1HG1 VAL 6 3.847 1.341 -1.986 39 2HG1 VAL 6 2HG1 VAL 6 3.860 1.530 -3.746 40 3HG1 VAL 6 3HG1 VAL 6 3.954 -0.090 -3.036 41 1HG2 VAL 6 1HG2 VAL 6 6.002 1.449 -4.995 42 2HG2 VAL 6 2HG2 VAL 6 7.436 0.716 -4.239 43 3HG2 VAL 6 3HG2 VAL 6 6.006 -0.274 -4.573 44 H LYS 7 H LYS 7 6.760 3.705 -4.495 45 HA LYS 7 HA LYS 7 5.385 6.124 -3.976 46 2HB LYS 7 2HB LYS 7 5.906 6.555 -6.413 47 2HG LYS 7 2HG LYS 7 7.783 5.953 -4.165 48 2HD LYS 7 2HD LYS 7 8.764 6.241 -7.036 49 2HE LYS 7 2HE LYS 7 10.198 6.235 -4.323 50 1HZ LYS 7 1HZ LYS 7 11.443 4.951 -5.895 51 2HZ LYS 7 2HZ LYS 7 11.385 6.158 -7.018 52 3HZ LYS 7 3HZ LYS 7 12.205 6.378 -5.607 53 H CYS 8 H CYS 8 3.254 5.869 -3.492 54 HA CYS 8 HA CYS 8 1.345 4.365 -5.049 55 2HB CYS 8 2HB CYS 8 1.056 5.129 -2.821 56 H PHE 9 H PHE 9 0.602 4.811 -7.071 57 HA PHE 9 HA PHE 9 0.089 7.619 -7.906 58 2HB PHE 9 2HB PHE 9 -1.182 6.404 -9.739 59 HD1 PHE 9 HD1 PHE 9 0.084 7.885 -11.133 60 HD2 PHE 9 HD2 PHE 9 2.089 4.680 -9.042 61 HE1 PHE 9 HE1 PHE 9 2.183 8.394 -12.348 62 HE2 PHE 9 HE2 PHE 9 4.185 5.222 -10.226 63 HZ PHE 9 HZ PHE 9 4.243 7.077 -11.888 64 H ALA 10 H ALA 10 -1.395 4.897 -6.152 65 HA ALA 10 HA ALA 10 -3.514 6.547 -5.157 66 1HB ALA 10 1HB ALA 10 -4.254 4.402 -7.208 67 2HB ALA 10 2HB ALA 10 -5.407 5.272 -6.176 68 3HB ALA 10 3HB ALA 10 -4.500 6.152 -7.414 69 H SER 11 H SER 11 -4.823 5.319 -3.575 70 HA SER 11 HA SER 11 -3.596 3.452 -1.963 71 2HB SER 11 2HB SER 11 -6.017 2.905 -1.301 72 HG SER 11 HG SER 11 -6.381 5.372 -1.084 73 H SER 12 H SER 12 -5.455 2.631 -4.953 74 HA SER 12 HA SER 12 -5.687 -0.101 -4.365 75 2HB SER 12 2HB SER 12 -7.061 0.724 -6.056 76 HG SER 12 HG SER 12 -4.860 1.835 -7.451 77 H GLU 13 H GLU 13 -2.950 1.780 -5.442 78 HA GLU 13 HA GLU 13 -1.167 -0.159 -6.479 79 2HB GLU 13 2HB GLU 13 -0.645 1.967 -4.446 80 2HG GLU 13 2HG GLU 13 1.211 0.458 -5.883 81 H CYS 14 H CYS 14 -2.003 0.839 -3.114 82 HA CYS 14 HA CYS 14 0.067 -0.554 -1.748 83 2HB CYS 14 2HB CYS 14 -1.052 0.226 0.153 84 H TRP 15 H TRP 15 -3.156 -1.048 -2.906 85 HA TRP 15 HA TRP 15 -3.764 -3.415 -1.275 86 2HB TRP 15 2HB TRP 15 -5.539 -3.860 -2.871 87 HD1 TRP 15 HD1 TRP 15 -4.743 -1.108 -0.686 88 HE1 TRP 15 HE1 TRP 15 -6.767 0.327 -0.122 89 HE3 TRP 15 HE3 TRP 15 -7.879 -2.790 -4.319 90 HZ2 TRP 15 HZ2 TRP 15 -9.456 0.739 -1.181 91 HZ3 TRP 15 HZ3 TRP 15 -10.150 -1.812 -4.579 92 HH2 TRP 15 HH2 TRP 15 -10.957 -0.074 -2.997 93 H THR 16 H THR 16 -2.955 -3.020 -4.815 94 HA THR 16 HA THR 16 -2.405 -5.767 -5.236 95 HB THR 16 HB THR 16 -1.179 -4.760 -7.228 96 HG1 THR 16 HG1 THR 16 -1.740 -2.449 -7.457 97 1HG2 THR 16 1HG2 THR 16 -3.591 -5.408 -7.321 98 2HG2 THR 16 2HG2 THR 16 -4.037 -3.791 -6.723 99 3HG2 THR 16 3HG2 THR 16 -3.266 -3.973 -8.309 100 H ALA 17 H ALA 17 -0.331 -3.148 -3.967 101 HA ALA 17 HA ALA 17 2.104 -4.629 -4.130 102 1HB ALA 17 1HB ALA 17 2.977 -2.994 -2.471 103 2HB ALA 17 2HB ALA 17 2.087 -2.171 -3.755 104 3HB ALA 17 3HB ALA 17 1.345 -2.399 -2.164 105 H CYS 18 H CYS 18 -0.137 -4.204 -1.373 106 HA CYS 18 HA CYS 18 1.286 -5.895 0.409 107 2HB CYS 18 2HB CYS 18 -1.729 -5.759 0.494 108 H LYS 19 H LYS 19 -1.174 -6.456 -2.061 109 HA LYS 19 HA LYS 19 -1.678 -9.187 -1.533 110 2HB LYS 19 2HB LYS 19 -2.274 -9.072 -4.040 111 2HG LYS 19 2HG LYS 19 -3.536 -6.959 -2.452 112 2HD LYS 19 2HD LYS 19 -4.428 -8.866 -4.615 113 2HE LYS 19 2HE LYS 19 -6.281 -7.056 -2.995 114 1HZ LYS 19 1HZ LYS 19 -7.966 -8.332 -4.088 115 2HZ LYS 19 2HZ LYS 19 -7.027 -7.600 -5.216 116 3HZ LYS 19 3HZ LYS 19 -6.860 -9.213 -4.918 117 H LYS 20 H LYS 20 0.434 -7.577 -3.860 118 HA LYS 20 HA LYS 20 1.799 -9.661 -5.015 119 2HB LYS 20 2HB LYS 20 3.734 -7.576 -4.205 120 2HG LYS 20 2HG LYS 20 3.702 -9.164 -6.273 121 2HD LYS 20 2HD LYS 20 1.418 -8.209 -7.049 122 2HE LYS 20 2HE LYS 20 3.301 -5.924 -7.873 123 1HZ LYS 20 1HZ LYS 20 0.477 -6.338 -8.578 124 2HZ LYS 20 2HZ LYS 20 1.373 -4.998 -8.913 125 3HZ LYS 20 3HZ LYS 20 1.752 -6.434 -9.617 126 H VAL 21 H VAL 21 2.880 -8.085 -1.844 127 HA VAL 21 HA VAL 21 4.992 -9.871 -1.497 128 HB VAL 21 HB VAL 21 3.436 -7.785 0.133 129 1HG1 VAL 21 1HG1 VAL 21 4.663 -9.267 1.548 130 2HG1 VAL 21 2HG1 VAL 21 6.131 -9.016 0.563 131 3HG1 VAL 21 3HG1 VAL 21 5.411 -7.652 1.492 132 1HG2 VAL 21 1HG2 VAL 21 6.074 -7.621 -1.403 133 2HG2 VAL 21 2HG2 VAL 21 4.563 -6.864 -1.934 134 3HG2 VAL 21 3HG2 VAL 21 5.340 -6.313 -0.447 135 H THR 22 H THR 22 1.860 -9.333 0.230 136 HA THR 22 HA THR 22 2.427 -11.794 1.749 137 HB THR 22 HB THR 22 0.993 -10.984 3.462 138 HG1 THR 22 HG1 THR 22 0.478 -8.775 1.746 139 1HG2 THR 22 1HG2 THR 22 3.334 -10.100 3.402 140 2HG2 THR 22 2HG2 THR 22 2.722 -8.636 2.584 141 3HG2 THR 22 3HG2 THR 22 2.178 -9.033 4.222 142 H GLY 23 H GLY 23 -0.098 -10.189 -0.154 143 1HA GLY 23 1HA GLY 23 -1.883 -11.476 -1.290 144 2HA GLY 23 2HA GLY 23 -1.936 -12.561 0.096 145 H SER 24 H SER 24 -1.405 -9.833 1.683 146 HA SER 24 HA SER 24 -4.149 -9.887 2.637 147 2HB SER 24 2HB SER 24 -3.326 -8.793 4.547 148 HG SER 24 HG SER 24 -1.000 -10.118 3.648 149 H GLY 25 H GLY 25 -4.762 -8.923 0.449 150 1HA GLY 25 1HA GLY 25 -3.663 -6.632 -0.481 151 2HA GLY 25 2HA GLY 25 -5.196 -7.302 -1.006 152 H GLN 26 H GLN 26 -4.943 -5.766 2.218 153 HA GLN 26 HA GLN 26 -6.987 -3.794 1.341 154 2HB GLN 26 2HB GLN 26 -7.740 -3.881 3.614 155 2HG GLN 26 2HG GLN 26 -7.220 -6.740 2.714 156 1HE2 GLN 26 1HE2 GLN 26 -9.820 -7.643 2.729 157 2HE2 GLN 26 2HE2 GLN 26 -10.473 -7.506 4.351 158 H GLY 27 H GLY 27 -6.267 -1.597 1.438 159 1HA GLY 27 1HA GLY 27 -4.430 -0.711 3.487 160 2HA GLY 27 2HA GLY 27 -3.634 -0.976 1.910 161 H LYS 28 H LYS 28 -3.247 1.432 2.324 162 HA LYS 28 HA LYS 28 -4.949 2.899 0.542 163 2HB LYS 28 2HB LYS 28 -4.687 3.944 3.415 164 2HG LYS 28 2HG LYS 28 -6.557 4.837 1.182 165 2HD LYS 28 2HD LYS 28 -5.729 6.141 3.809 166 2HE LYS 28 2HE LYS 28 -7.724 7.027 1.656 167 1HZ LYS 28 1HZ LYS 28 -7.863 9.013 2.958 168 2HZ LYS 28 2HZ LYS 28 -8.334 7.737 3.877 169 3HZ LYS 28 3HZ LYS 28 -6.852 8.417 4.104 170 H CYS 29 H CYS 29 -3.827 4.672 -0.355 171 HA CYS 29 HA CYS 29 -0.919 4.473 0.209 172 2HB CYS 29 2HB CYS 29 -1.640 4.557 -2.320 173 H GLN 30 H GLN 30 0.296 6.483 0.530 174 HA GLN 30 HA GLN 30 -1.210 8.803 1.612 175 2HB GLN 30 2HB GLN 30 1.292 7.769 2.947 176 2HG GLN 30 2HG GLN 30 -1.133 9.242 4.064 177 1HE2 GLN 30 1HE2 GLN 30 1.970 10.277 5.074 178 2HE2 GLN 30 2HE2 GLN 30 2.009 9.437 6.605 179 H ASN 31 H ASN 31 -0.388 10.499 0.360 180 HA ASN 31 HA ASN 31 1.118 11.918 -0.498 181 2HB ASN 31 2HB ASN 31 3.165 10.314 1.134 182 1HD2 ASN 31 1HD2 ASN 31 5.072 10.896 0.135 183 2HD2 ASN 31 2HD2 ASN 31 5.496 12.571 -0.224 184 H ASN 32 H ASN 32 3.461 9.358 -0.548 185 HA ASN 32 HA ASN 32 2.731 8.080 -2.924 186 2HB ASN 32 2HB ASN 32 4.765 8.369 -4.329 187 1HD2 ASN 32 1HD2 ASN 32 2.528 9.013 -5.185 188 2HD2 ASN 32 2HD2 ASN 32 2.179 10.726 -5.011 189 H GLN 33 H GLN 33 2.747 7.246 -0.583 190 HA GLN 33 HA GLN 33 4.808 5.214 -0.285 191 2HB GLN 33 2HB GLN 33 4.608 5.649 2.220 192 2HG GLN 33 2HG GLN 33 6.628 6.325 0.778 193 1HE2 GLN 33 1HE2 GLN 33 8.196 8.294 0.933 194 2HE2 GLN 33 2HE2 GLN 33 7.546 9.824 0.378 195 H CYS 34 H CYS 34 3.550 3.581 1.506 196 HA CYS 34 HA CYS 34 0.663 3.886 1.202 197 2HB CYS 34 2HB CYS 34 1.317 1.221 0.372 198 H ARG 35 H ARG 35 -0.599 2.221 2.231 199 HA ARG 35 HA ARG 35 0.884 0.995 4.458 200 2HB ARG 35 2HB ARG 35 -0.747 1.954 6.085 201 2HG ARG 35 2HG ARG 35 0.471 4.007 4.260 202 2HD ARG 35 2HD ARG 35 -0.970 5.063 5.923 203 HE ARG 35 HE ARG 35 0.441 3.362 7.524 204 1HH1 ARG 35 1HH1 ARG 35 0.063 6.893 7.425 205 2HH1 ARG 35 2HH1 ARG 35 0.264 7.149 9.129 206 1HH2 ARG 35 1HH2 ARG 35 0.716 3.692 9.879 207 2HH2 ARG 35 2HH2 ARG 35 0.693 5.291 10.550 208 H CYS 36 H CYS 36 -0.279 -0.592 5.559 209 HA CYS 36 HA CYS 36 -2.457 -1.867 3.949 210 2HB CYS 36 2HB CYS 36 0.148 -3.305 4.536 211 H TYR 37 H TYR 37 -3.697 -3.391 5.032 212 HA TYR 37 HA TYR 37 -3.505 -3.460 8.007 213 2HB TYR 37 2HB TYR 37 -5.792 -2.572 6.204 214 HD1 TYR 37 HD1 TYR 37 -5.097 -2.058 9.850 215 HD2 TYR 37 HD2 TYR 37 -7.727 -3.788 6.896 216 HE1 TYR 37 HE1 TYR 37 -6.815 -2.458 11.599 217 HE2 TYR 37 HE2 TYR 37 -9.432 -4.174 8.638 218 HH TYR 37 HH TYR 37 -9.993 -3.910 10.862 Start of MODEL 15 1 1H PHE 1 1H PHE 1 -1.688 0.940 8.510 2 HA PHE 1 HA PHE 1 -1.559 0.091 11.134 3 2HB PHE 1 2HB PHE 1 -1.871 -2.379 9.350 4 HD1 PHE 1 HD1 PHE 1 0.318 -2.793 11.085 5 HD2 PHE 1 HD2 PHE 1 -3.854 -2.568 12.208 6 HE1 PHE 1 HE1 PHE 1 0.811 -3.955 13.208 7 HE2 PHE 1 HE2 PHE 1 -3.350 -3.783 14.295 8 HZ PHE 1 HZ PHE 1 -1.018 -4.457 14.816 9 H GLY 2 H GLY 2 -0.588 -1.304 8.083 10 1HA GLY 2 1HA GLY 2 2.159 -1.659 8.380 11 2HA GLY 2 2HA GLY 2 1.322 -1.408 6.874 12 H LEU 3 H LEU 3 3.934 -0.424 7.173 13 HA LEU 3 HA LEU 3 3.208 1.952 5.834 14 2HB LEU 3 2HB LEU 3 3.619 3.039 8.005 15 HG LEU 3 HG LEU 3 6.365 1.660 7.795 16 1HD1 LEU 3 1HD1 LEU 3 5.516 4.084 9.512 17 2HD1 LEU 3 2HD1 LEU 3 7.075 3.237 9.599 18 3HD1 LEU 3 3HD1 LEU 3 6.630 4.116 8.129 19 1HD2 LEU 3 1HD2 LEU 3 4.252 1.833 10.049 20 2HD2 LEU 3 2HD2 LEU 3 4.854 0.370 9.234 21 3HD2 LEU 3 3HD2 LEU 3 5.920 1.278 10.297 22 H ILE 4 H ILE 4 4.371 1.849 3.918 23 HA ILE 4 HA ILE 4 6.817 0.160 3.882 24 HB ILE 4 HB ILE 4 5.906 -0.907 1.995 25 2HG1 ILE 4 2HG1 ILE 4 4.639 1.534 1.285 26 1HG2 ILE 4 1HG2 ILE 4 3.435 -0.480 3.738 27 2HG2 ILE 4 2HG2 ILE 4 3.779 -1.841 2.658 28 3HG2 ILE 4 3HG2 ILE 4 4.769 -1.605 4.107 29 1HD1 ILE 4 1HD1 ILE 4 4.103 0.335 -0.714 30 2HD1 ILE 4 2HD1 ILE 4 5.738 -0.144 -0.175 31 3HD1 ILE 4 3HD1 ILE 4 4.357 -1.233 0.096 32 H ASP 5 H ASP 5 7.770 0.618 1.447 33 HA ASP 5 HA ASP 5 7.169 3.367 0.611 34 2HB ASP 5 2HB ASP 5 10.033 2.501 1.097 35 H VAL 6 H VAL 6 5.964 2.338 -0.826 36 HA VAL 6 HA VAL 6 7.519 2.110 -3.294 37 HB VAL 6 HB VAL 6 5.088 0.340 -2.789 38 1HG1 VAL 6 1HG1 VAL 6 5.466 -0.422 -5.126 39 2HG1 VAL 6 2HG1 VAL 6 4.987 1.276 -5.054 40 3HG1 VAL 6 3HG1 VAL 6 6.690 0.847 -5.332 41 1HG2 VAL 6 1HG2 VAL 6 7.993 -0.331 -3.465 42 2HG2 VAL 6 2HG2 VAL 6 7.214 -0.627 -1.902 43 3HG2 VAL 6 3HG2 VAL 6 6.666 -1.504 -3.335 44 H LYS 7 H LYS 7 6.732 3.526 -4.767 45 HA LYS 7 HA LYS 7 5.315 5.685 -3.616 46 2HB LYS 7 2HB LYS 7 5.574 6.614 -6.029 47 2HG LYS 7 2HG LYS 7 6.985 7.400 -4.252 48 2HD LYS 7 2HD LYS 7 8.636 4.869 -4.660 49 2HE LYS 7 2HE LYS 7 9.226 7.426 -3.097 50 1HZ LYS 7 1HZ LYS 7 10.696 4.858 -3.018 51 2HZ LYS 7 2HZ LYS 7 11.153 6.247 -2.273 52 3HZ LYS 7 3HZ LYS 7 9.797 5.484 -1.837 53 H CYS 8 H CYS 8 3.235 5.949 -3.395 54 HA CYS 8 HA CYS 8 1.201 4.357 -4.728 55 2HB CYS 8 2HB CYS 8 1.270 5.924 -2.522 56 H PHE 9 H PHE 9 0.583 4.640 -6.718 57 HA PHE 9 HA PHE 9 0.199 7.319 -7.945 58 2HB PHE 9 2HB PHE 9 -1.427 5.531 -9.303 59 HD1 PHE 9 HD1 PHE 9 2.086 4.758 -9.973 60 HD2 PHE 9 HD2 PHE 9 -1.066 7.642 -10.584 61 HE1 PHE 9 HE1 PHE 9 3.337 5.733 -11.878 62 HE2 PHE 9 HE2 PHE 9 0.195 8.615 -12.483 63 HZ PHE 9 HZ PHE 9 2.397 7.661 -13.137 64 H ALA 10 H ALA 10 -1.315 5.048 -5.717 65 HA ALA 10 HA ALA 10 -3.469 6.666 -5.007 66 1HB ALA 10 1HB ALA 10 -4.442 6.280 -7.258 67 2HB ALA 10 2HB ALA 10 -4.178 4.531 -7.084 68 3HB ALA 10 3HB ALA 10 -5.357 5.369 -6.057 69 H SER 11 H SER 11 -4.715 5.617 -3.366 70 HA SER 11 HA SER 11 -3.616 3.602 -1.821 71 2HB SER 11 2HB SER 11 -6.049 3.326 -1.015 72 HG SER 11 HG SER 11 -6.046 5.684 -0.411 73 H SER 12 H SER 12 -5.806 3.185 -4.626 74 HA SER 12 HA SER 12 -6.418 0.495 -4.090 75 2HB SER 12 2HB SER 12 -7.854 1.595 -5.554 76 HG SER 12 HG SER 12 -5.750 2.508 -7.200 77 H GLU 13 H GLU 13 -3.445 1.937 -5.238 78 HA GLU 13 HA GLU 13 -2.511 -0.408 -6.684 79 2HB GLU 13 2HB GLU 13 -0.783 1.503 -5.255 80 2HG GLU 13 2HG GLU 13 0.578 1.410 -7.371 81 H CYS 14 H CYS 14 -1.929 1.075 -3.448 82 HA CYS 14 HA CYS 14 -0.078 -0.502 -2.266 83 2HB CYS 14 2HB CYS 14 -1.000 0.240 -0.217 84 H TRP 15 H TRP 15 -3.327 -1.132 -3.065 85 HA TRP 15 HA TRP 15 -3.822 -3.472 -1.354 86 2HB TRP 15 2HB TRP 15 -5.633 -3.972 -2.924 87 HD1 TRP 15 HD1 TRP 15 -4.768 -1.159 -0.804 88 HE1 TRP 15 HE1 TRP 15 -6.726 0.291 -0.220 89 HE3 TRP 15 HE3 TRP 15 -8.022 -2.953 -4.262 90 HZ2 TRP 15 HZ2 TRP 15 -9.487 0.692 -1.199 91 HZ3 TRP 15 HZ3 TRP 15 -10.331 -2.015 -4.440 92 HH2 TRP 15 HH2 TRP 15 -11.063 -0.200 -2.910 93 H THR 16 H THR 16 -3.206 -3.254 -4.946 94 HA THR 16 HA THR 16 -2.421 -5.943 -5.265 95 HB THR 16 HB THR 16 -1.205 -4.660 -7.324 96 HG1 THR 16 HG1 THR 16 -1.586 -2.562 -6.813 97 1HG2 THR 16 1HG2 THR 16 -3.374 -4.810 -8.507 98 2HG2 THR 16 2HG2 THR 16 -3.090 -6.253 -7.516 99 3HG2 THR 16 3HG2 THR 16 -4.216 -4.989 -6.956 100 H ALA 17 H ALA 17 -0.518 -3.064 -4.160 101 HA ALA 17 HA ALA 17 1.985 -4.399 -4.373 102 1HB ALA 17 1HB ALA 17 1.694 -1.950 -3.896 103 2HB ALA 17 2HB ALA 17 1.196 -2.374 -2.243 104 3HB ALA 17 3HB ALA 17 2.829 -2.765 -2.801 105 H CYS 18 H CYS 18 -0.263 -4.195 -1.576 106 HA CYS 18 HA CYS 18 1.258 -5.819 0.162 107 2HB CYS 18 2HB CYS 18 -1.746 -5.816 0.310 108 H LYS 19 H LYS 19 -1.117 -6.539 -2.374 109 HA LYS 19 HA LYS 19 -1.423 -9.277 -1.854 110 2HB LYS 19 2HB LYS 19 -2.170 -9.314 -4.224 111 2HG LYS 19 2HG LYS 19 -3.304 -7.029 -2.815 112 2HD LYS 19 2HD LYS 19 -4.288 -7.928 -5.065 113 2HE LYS 19 2HE LYS 19 -5.185 -10.089 -3.067 114 1HZ LYS 19 1HZ LYS 19 -6.405 -10.985 -4.892 115 2HZ LYS 19 2HZ LYS 19 -6.950 -9.472 -4.569 116 3HZ LYS 19 3HZ LYS 19 -5.985 -9.741 -5.879 117 H LYS 20 H LYS 20 0.642 -7.496 -4.069 118 HA LYS 20 HA LYS 20 2.099 -9.565 -5.285 119 2HB LYS 20 2HB LYS 20 4.030 -7.547 -4.820 120 2HG LYS 20 2HG LYS 20 3.520 -8.685 -6.976 121 2HD LYS 20 2HD LYS 20 1.330 -6.540 -7.141 122 2HE LYS 20 2HE LYS 20 0.745 -7.681 -9.285 123 1HZ LYS 20 1HZ LYS 20 3.552 -6.785 -9.264 124 2HZ LYS 20 2HZ LYS 20 2.571 -6.876 -10.576 125 3HZ LYS 20 3HZ LYS 20 2.240 -5.794 -9.382 126 H VAL 21 H VAL 21 3.119 -7.834 -2.247 127 HA VAL 21 HA VAL 21 5.214 -9.699 -1.781 128 HB VAL 21 HB VAL 21 4.426 -8.722 0.714 129 1HG1 VAL 21 1HG1 VAL 21 6.333 -7.550 -1.353 130 2HG1 VAL 21 2HG1 VAL 21 6.434 -7.228 0.397 131 3HG1 VAL 21 3HG1 VAL 21 6.750 -8.865 -0.221 132 1HG2 VAL 21 1HG2 VAL 21 2.849 -7.178 -0.293 133 2HG2 VAL 21 2HG2 VAL 21 4.151 -6.368 0.579 134 3HG2 VAL 21 3HG2 VAL 21 4.188 -6.397 -1.190 135 H THR 22 H THR 22 2.003 -9.472 -0.162 136 HA THR 22 HA THR 22 2.599 -12.133 1.106 137 HB THR 22 HB THR 22 1.016 -11.466 2.817 138 HG1 THR 22 HG1 THR 22 0.827 -9.015 1.366 139 1HG2 THR 22 1HG2 THR 22 2.312 -9.773 3.928 140 2HG2 THR 22 2HG2 THR 22 3.431 -10.830 3.044 141 3HG2 THR 22 3HG2 THR 22 3.028 -9.218 2.409 142 H GLY 23 H GLY 23 0.100 -10.235 -0.436 143 1HA GLY 23 1HA GLY 23 -1.682 -11.474 -1.828 144 2HA GLY 23 2HA GLY 23 -1.727 -12.653 -0.528 145 H SER 24 H SER 24 -1.211 -10.113 1.298 146 HA SER 24 HA SER 24 -3.947 -10.176 2.271 147 2HB SER 24 2HB SER 24 -1.429 -8.750 3.241 148 HG SER 24 HG SER 24 -3.254 -7.822 4.082 149 H GLY 25 H GLY 25 -4.540 -9.098 0.072 150 1HA GLY 25 1HA GLY 25 -3.552 -6.751 -0.787 151 2HA GLY 25 2HA GLY 25 -5.109 -7.395 -1.261 152 H GLN 26 H GLN 26 -4.853 -6.145 2.066 153 HA GLN 26 HA GLN 26 -6.899 -4.127 1.327 154 2HB GLN 26 2HB GLN 26 -7.745 -4.459 3.525 155 2HG GLN 26 2HG GLN 26 -7.060 -7.199 2.383 156 1HE2 GLN 26 1HE2 GLN 26 -9.585 -8.254 2.278 157 2HE2 GLN 26 2HE2 GLN 26 -10.254 -8.312 3.899 158 H GLY 27 H GLY 27 -5.883 -2.125 1.179 159 1HA GLY 27 1HA GLY 27 -4.342 -1.113 3.486 160 2HA GLY 27 2HA GLY 27 -3.475 -1.339 1.937 161 H LYS 28 H LYS 28 -3.173 1.054 2.375 162 HA LYS 28 HA LYS 28 -4.785 2.498 0.523 163 2HB LYS 28 2HB LYS 28 -5.112 4.491 2.062 164 2HG LYS 28 2HG LYS 28 -6.963 2.600 1.564 165 2HD LYS 28 2HD LYS 28 -7.108 3.104 4.568 166 2HE LYS 28 2HE LYS 28 -9.127 2.424 3.070 167 1HZ LYS 28 1HZ LYS 28 -9.317 0.177 2.558 168 2HZ LYS 28 2HZ LYS 28 -7.743 0.496 2.139 169 3HZ LYS 28 3HZ LYS 28 -8.073 -0.274 3.536 170 H CYS 29 H CYS 29 -3.711 4.622 0.012 171 HA CYS 29 HA CYS 29 -0.805 4.240 0.407 172 2HB CYS 29 2HB CYS 29 -1.812 4.839 -2.051 173 H GLN 30 H GLN 30 0.455 6.264 0.886 174 HA GLN 30 HA GLN 30 -1.069 8.459 2.090 175 2HB GLN 30 2HB GLN 30 1.352 7.352 3.520 176 2HG GLN 30 2HG GLN 30 -0.827 9.358 4.121 177 1HE2 GLN 30 1HE2 GLN 30 -1.322 10.106 6.219 178 2HE2 GLN 30 2HE2 GLN 30 -1.075 9.084 7.616 179 H ASN 31 H ASN 31 -0.356 10.162 0.933 180 HA ASN 31 HA ASN 31 1.030 11.708 0.127 181 2HB ASN 31 2HB ASN 31 3.427 10.253 1.386 182 1HD2 ASN 31 1HD2 ASN 31 1.916 13.478 1.817 183 2HD2 ASN 31 2HD2 ASN 31 3.294 14.337 1.146 184 H ASN 32 H ASN 32 3.392 9.154 -0.193 185 HA ASN 32 HA ASN 32 2.605 8.034 -2.593 186 2HB ASN 32 2HB ASN 32 4.630 8.479 -4.044 187 1HD2 ASN 32 1HD2 ASN 32 2.268 8.932 -4.791 188 2HD2 ASN 32 2HD2 ASN 32 1.778 10.600 -4.522 189 H GLN 33 H GLN 33 2.874 7.170 -0.166 190 HA GLN 33 HA GLN 33 4.823 5.027 -0.452 191 2HB GLN 33 2HB GLN 33 4.939 5.038 2.106 192 2HG GLN 33 2HG GLN 33 6.234 7.458 0.788 193 1HE2 GLN 33 1HE2 GLN 33 6.937 4.741 3.123 194 2HE2 GLN 33 2HE2 GLN 33 7.695 5.805 4.301 195 H CYS 34 H CYS 34 3.658 3.334 1.469 196 HA CYS 34 HA CYS 34 0.792 3.660 1.364 197 2HB CYS 34 2HB CYS 34 1.378 1.065 0.256 198 H ARG 35 H ARG 35 -0.351 1.759 2.204 199 HA ARG 35 HA ARG 35 1.084 0.566 4.497 200 2HB ARG 35 2HB ARG 35 -0.473 1.546 6.066 201 2HG ARG 35 2HG ARG 35 0.265 3.671 4.093 202 2HD ARG 35 2HD ARG 35 -0.928 4.621 6.006 203 HE ARG 35 HE ARG 35 0.678 2.798 7.251 204 1HH1 ARG 35 1HH1 ARG 35 0.479 6.297 7.720 205 2HH1 ARG 35 2HH1 ARG 35 0.929 6.242 9.404 206 1HH2 ARG 35 1HH2 ARG 35 1.316 2.660 9.314 207 2HH2 ARG 35 2HH2 ARG 35 1.437 4.039 10.397 208 H CYS 36 H CYS 36 -0.151 -0.991 5.523 209 HA CYS 36 HA CYS 36 -2.485 -2.163 4.082 210 2HB CYS 36 2HB CYS 36 0.128 -3.683 4.390 211 H TYR 37 H TYR 37 -3.647 -3.659 5.298 212 HA TYR 37 HA TYR 37 -3.665 -2.864 8.015 213 2HB TYR 37 2HB TYR 37 -5.576 -3.644 6.360 214 HD1 TYR 37 HD1 TYR 37 -6.629 -5.583 9.081 215 HD2 TYR 37 HD2 TYR 37 -4.522 -5.967 5.338 216 HE1 TYR 37 HE1 TYR 37 -7.436 -7.904 8.868 217 HE2 TYR 37 HE2 TYR 37 -5.476 -8.248 5.058 218 HH TYR 37 HH TYR 37 -7.557 -9.769 7.518 Start of MODEL 16 1 1H PHE 1 1H PHE 1 -2.858 0.931 9.140 2 HA PHE 1 HA PHE 1 -1.424 0.103 10.710 3 2HB PHE 1 2HB PHE 1 -1.859 -2.465 9.140 4 HD1 PHE 1 HD1 PHE 1 0.285 -3.539 9.838 5 HD2 PHE 1 HD2 PHE 1 -2.550 -1.995 12.706 6 HE1 PHE 1 HE1 PHE 1 1.327 -4.908 11.616 7 HE2 PHE 1 HE2 PHE 1 -1.539 -3.416 14.461 8 HZ PHE 1 HZ PHE 1 0.405 -4.869 13.924 9 H GLY 2 H GLY 2 -0.352 -1.809 7.995 10 1HA GLY 2 1HA GLY 2 2.386 -1.813 8.276 11 2HA GLY 2 2HA GLY 2 1.551 -1.937 6.740 12 H LEU 3 H LEU 3 4.169 -0.606 7.062 13 HA LEU 3 HA LEU 3 3.302 1.668 5.539 14 2HB LEU 3 2HB LEU 3 3.564 2.765 7.721 15 HG LEU 3 HG LEU 3 6.433 1.663 7.506 16 1HD1 LEU 3 1HD1 LEU 3 7.031 3.362 9.237 17 2HD1 LEU 3 2HD1 LEU 3 6.524 4.130 7.728 18 3HD1 LEU 3 3HD1 LEU 3 5.417 4.096 9.118 19 1HD2 LEU 3 1HD2 LEU 3 4.382 1.817 9.826 20 2HD2 LEU 3 2HD2 LEU 3 4.956 0.345 9.010 21 3HD2 LEU 3 3HD2 LEU 3 6.068 1.292 9.994 22 H ILE 4 H ILE 4 4.370 1.790 3.661 23 HA ILE 4 HA ILE 4 6.917 0.375 3.364 24 HB ILE 4 HB ILE 4 5.887 -0.933 1.693 25 2HG1 ILE 4 2HG1 ILE 4 4.317 1.293 0.944 26 1HG2 ILE 4 1HG2 ILE 4 5.010 -1.644 3.929 27 2HG2 ILE 4 2HG2 ILE 4 3.567 -0.622 3.672 28 3HG2 ILE 4 3HG2 ILE 4 3.893 -2.003 2.606 29 1HD1 ILE 4 1HD1 ILE 4 4.094 -1.610 0.135 30 2HD1 ILE 4 2HD1 ILE 4 3.541 -0.186 -0.787 31 3HD1 ILE 4 3HD1 ILE 4 5.286 -0.445 -0.503 32 H ASP 5 H ASP 5 7.930 1.101 1.390 33 HA ASP 5 HA ASP 5 7.684 4.008 1.200 34 2HB ASP 5 2HB ASP 5 9.982 3.894 0.434 35 H VAL 6 H VAL 6 6.123 1.871 -0.667 36 HA VAL 6 HA VAL 6 7.292 2.486 -3.252 37 HB VAL 6 HB VAL 6 4.816 0.924 -2.496 38 1HG1 VAL 6 1HG1 VAL 6 6.145 1.287 -5.218 39 2HG1 VAL 6 2HG1 VAL 6 4.928 0.054 -4.832 40 3HG1 VAL 6 3HG1 VAL 6 4.488 1.761 -4.772 41 1HG2 VAL 6 1HG2 VAL 6 6.250 -1.008 -3.064 42 2HG2 VAL 6 2HG2 VAL 6 7.574 0.076 -3.531 43 3HG2 VAL 6 3HG2 VAL 6 7.084 -0.038 -1.837 44 H LYS 7 H LYS 7 6.653 3.826 -4.773 45 HA LYS 7 HA LYS 7 5.338 6.238 -4.115 46 2HB LYS 7 2HB LYS 7 5.462 6.577 -6.656 47 2HG LYS 7 2HG LYS 7 7.070 7.569 -5.104 48 2HD LYS 7 2HD LYS 7 8.636 4.985 -5.546 49 2HE LYS 7 2HE LYS 7 9.466 7.618 -4.227 50 1HZ LYS 7 1HZ LYS 7 11.010 5.133 -4.564 51 2HZ LYS 7 2HZ LYS 7 11.552 6.536 -3.906 52 3HZ LYS 7 3HZ LYS 7 10.381 5.669 -3.139 53 H CYS 8 H CYS 8 3.278 5.928 -3.397 54 HA CYS 8 HA CYS 8 1.110 4.615 -4.778 55 2HB CYS 8 2HB CYS 8 1.330 6.446 -2.592 56 H PHE 9 H PHE 9 0.585 5.012 -6.742 57 HA PHE 9 HA PHE 9 0.025 7.765 -7.749 58 2HB PHE 9 2HB PHE 9 -1.311 6.129 -9.429 59 HD1 PHE 9 HD1 PHE 9 -0.863 7.936 -10.905 60 HD2 PHE 9 HD2 PHE 9 2.398 5.641 -9.257 61 HE1 PHE 9 HE1 PHE 9 0.695 9.005 -12.502 62 HE2 PHE 9 HE2 PHE 9 3.954 6.711 -10.868 63 HZ PHE 9 HZ PHE 9 3.105 8.392 -12.493 64 H ALA 10 H ALA 10 -1.297 5.282 -5.686 65 HA ALA 10 HA ALA 10 -3.656 6.613 -5.064 66 1HB ALA 10 1HB ALA 10 -4.050 4.421 -7.161 67 2HB ALA 10 2HB ALA 10 -5.348 5.101 -6.160 68 3HB ALA 10 3HB ALA 10 -4.518 6.125 -7.333 69 H SER 11 H SER 11 -4.722 5.490 -3.380 70 HA SER 11 HA SER 11 -3.497 3.543 -1.845 71 2HB SER 11 2HB SER 11 -5.914 3.205 -0.986 72 HG SER 11 HG SER 11 -6.037 5.578 -0.544 73 H SER 12 H SER 12 -5.547 2.921 -4.722 74 HA SER 12 HA SER 12 -5.974 0.193 -4.146 75 2HB SER 12 2HB SER 12 -7.383 1.171 -5.731 76 HG SER 12 HG SER 12 -5.216 2.109 -7.281 77 H GLU 13 H GLU 13 -3.153 1.901 -5.378 78 HA GLU 13 HA GLU 13 -1.738 -0.196 -6.681 79 2HB GLU 13 2HB GLU 13 -0.722 1.860 -4.766 80 2HG GLU 13 2HG GLU 13 1.143 2.171 -6.510 81 H CYS 14 H CYS 14 -1.760 0.961 -3.319 82 HA CYS 14 HA CYS 14 0.129 -0.576 -2.081 83 2HB CYS 14 2HB CYS 14 -0.898 0.180 -0.082 84 H TRP 15 H TRP 15 -3.129 -1.162 -3.016 85 HA TRP 15 HA TRP 15 -3.663 -3.429 -1.210 86 2HB TRP 15 2HB TRP 15 -5.499 -3.966 -2.731 87 HD1 TRP 15 HD1 TRP 15 -4.614 -1.176 -0.642 88 HE1 TRP 15 HE1 TRP 15 -6.623 0.231 0.024 89 HE3 TRP 15 HE3 TRP 15 -7.922 -2.963 -4.054 90 HZ2 TRP 15 HZ2 TRP 15 -9.368 0.617 -0.910 91 HZ3 TRP 15 HZ3 TRP 15 -10.231 -2.032 -4.195 92 HH2 TRP 15 HH2 TRP 15 -10.964 -0.258 -2.617 93 H THR 16 H THR 16 -3.131 -3.309 -4.806 94 HA THR 16 HA THR 16 -2.372 -6.005 -5.082 95 HB THR 16 HB THR 16 -1.060 -4.736 -7.114 96 HG1 THR 16 HG1 THR 16 -1.625 -2.660 -6.170 97 1HG2 THR 16 1HG2 THR 16 -3.190 -4.883 -8.374 98 2HG2 THR 16 2HG2 THR 16 -2.934 -6.329 -7.378 99 3HG2 THR 16 3HG2 THR 16 -4.083 -5.068 -6.851 100 H ALA 17 H ALA 17 -0.365 -3.180 -3.997 101 HA ALA 17 HA ALA 17 2.087 -4.600 -4.227 102 1HB ALA 17 1HB ALA 17 1.368 -2.505 -2.111 103 2HB ALA 17 2HB ALA 17 2.987 -2.960 -2.648 104 3HB ALA 17 3HB ALA 17 1.892 -2.124 -3.761 105 H CYS 18 H CYS 18 -0.181 -4.340 -1.471 106 HA CYS 18 HA CYS 18 1.315 -6.055 0.242 107 2HB CYS 18 2HB CYS 18 -1.690 -5.925 0.453 108 H LYS 19 H LYS 19 -1.143 -6.625 -2.293 109 HA LYS 19 HA LYS 19 -1.653 -9.329 -1.654 110 2HB LYS 19 2HB LYS 19 -2.331 -9.405 -4.063 111 2HG LYS 19 2HG LYS 19 -3.337 -7.012 -2.752 112 2HD LYS 19 2HD LYS 19 -4.240 -7.658 -5.085 113 2HE LYS 19 2HE LYS 19 -5.391 -9.934 -3.370 114 1HZ LYS 19 1HZ LYS 19 -6.595 -10.536 -5.330 115 2HZ LYS 19 2HZ LYS 19 -7.054 -9.035 -4.846 116 3HZ LYS 19 3HZ LYS 19 -6.059 -9.214 -6.148 117 H LYS 20 H LYS 20 0.510 -7.767 -3.965 118 HA LYS 20 HA LYS 20 1.809 -10.024 -4.972 119 2HB LYS 20 2HB LYS 20 3.192 -7.341 -4.588 120 2HG LYS 20 2HG LYS 20 4.353 -9.383 -5.721 121 2HD LYS 20 2HD LYS 20 2.618 -8.436 -8.062 122 2HE LYS 20 2HE LYS 20 3.366 -10.547 -9.118 123 1HZ LYS 20 1HZ LYS 20 4.867 -8.673 -9.352 124 2HZ LYS 20 2HZ LYS 20 5.695 -9.125 -8.003 125 3HZ LYS 20 3HZ LYS 20 5.693 -10.093 -9.329 126 H VAL 21 H VAL 21 2.755 -8.097 -1.958 127 HA VAL 21 HA VAL 21 5.103 -9.548 -1.475 128 HB VAL 21 HB VAL 21 3.074 -7.803 -0.013 129 1HG1 VAL 21 1HG1 VAL 21 3.981 -9.045 1.645 130 2HG1 VAL 21 2HG1 VAL 21 5.650 -8.876 1.007 131 3HG1 VAL 21 3HG1 VAL 21 4.770 -7.458 1.685 132 1HG2 VAL 21 1HG2 VAL 21 5.964 -7.260 -0.875 133 2HG2 VAL 21 2HG2 VAL 21 4.576 -6.769 -1.857 134 3HG2 VAL 21 3HG2 VAL 21 4.807 -6.063 -0.246 135 H THR 22 H THR 22 1.801 -9.564 -0.054 136 HA THR 22 HA THR 22 2.490 -12.108 1.234 137 HB THR 22 HB THR 22 2.581 -10.650 2.943 138 HG1 THR 22 HG1 THR 22 0.935 -11.278 4.250 139 1HG2 THR 22 1HG2 THR 22 -0.001 -9.290 2.095 140 2HG2 THR 22 2HG2 THR 22 0.918 -8.959 3.568 141 3HG2 THR 22 3HG2 THR 22 1.635 -8.598 1.998 142 H GLY 23 H GLY 23 -0.202 -10.245 -0.175 143 1HA GLY 23 1HA GLY 23 -1.780 -11.642 -1.601 144 2HA GLY 23 2HA GLY 23 -1.906 -12.743 -0.238 145 H SER 24 H SER 24 -1.671 -10.312 1.535 146 HA SER 24 HA SER 24 -4.553 -10.156 2.076 147 2HB SER 24 2HB SER 24 -2.098 -9.106 3.550 148 HG SER 24 HG SER 24 -3.888 -7.841 3.989 149 H GLY 25 H GLY 25 -4.838 -9.040 -0.029 150 1HA GLY 25 1HA GLY 25 -3.676 -6.654 -0.746 151 2HA GLY 25 2HA GLY 25 -5.215 -7.252 -1.348 152 H GLN 26 H GLN 26 -4.762 -6.067 1.998 153 HA GLN 26 HA GLN 26 -6.992 -4.152 1.570 154 2HB GLN 26 2HB GLN 26 -7.419 -4.580 3.963 155 2HG GLN 26 2HG GLN 26 -6.950 -7.246 2.561 156 1HE2 GLN 26 1HE2 GLN 26 -9.668 -8.058 2.721 157 2HE2 GLN 26 2HE2 GLN 26 -10.057 -8.251 4.421 158 H GLY 27 H GLY 27 -6.162 -1.974 1.578 159 1HA GLY 27 1HA GLY 27 -4.353 -1.136 3.679 160 2HA GLY 27 2HA GLY 27 -3.537 -1.369 2.108 161 H LYS 28 H LYS 28 -3.136 0.998 2.417 162 HA LYS 28 HA LYS 28 -4.607 2.228 0.414 163 2HB LYS 28 2HB LYS 28 -6.334 2.811 2.158 164 2HG LYS 28 2HG LYS 28 -3.894 3.686 3.667 165 2HD LYS 28 2HD LYS 28 -6.533 5.079 4.170 166 2HE LYS 28 2HE LYS 28 -4.726 5.249 5.899 167 1HZ LYS 28 1HZ LYS 28 -2.826 6.711 5.228 168 2HZ LYS 28 2HZ LYS 28 -2.761 5.192 4.600 169 3HZ LYS 28 3HZ LYS 28 -3.197 6.429 3.642 170 H CYS 29 H CYS 29 -3.693 4.541 -0.021 171 HA CYS 29 HA CYS 29 -0.802 4.174 0.467 172 2HB CYS 29 2HB CYS 29 -1.723 4.771 -1.946 173 H GLN 30 H GLN 30 0.449 6.310 0.794 174 HA GLN 30 HA GLN 30 -0.923 8.371 2.385 175 2HB GLN 30 2HB GLN 30 1.702 7.326 3.413 176 2HG GLN 30 2HG GLN 30 -0.786 8.349 4.855 177 1HE2 GLN 30 1HE2 GLN 30 2.734 8.613 5.504 178 2HE2 GLN 30 2HE2 GLN 30 2.678 7.801 7.051 179 H ASN 31 H ASN 31 -0.222 10.214 1.226 180 HA ASN 31 HA ASN 31 1.188 11.713 0.355 181 2HB ASN 31 2HB ASN 31 3.408 9.974 1.589 182 1HD2 ASN 31 1HD2 ASN 31 5.395 10.963 1.860 183 2HD2 ASN 31 2HD2 ASN 31 5.774 12.509 1.096 184 H ASN 32 H ASN 32 3.492 9.191 -0.176 185 HA ASN 32 HA ASN 32 2.585 8.171 -2.602 186 2HB ASN 32 2HB ASN 32 4.518 8.599 -4.110 187 1HD2 ASN 32 1HD2 ASN 32 2.215 9.257 -4.742 188 2HD2 ASN 32 2HD2 ASN 32 1.838 10.940 -4.381 189 H GLN 33 H GLN 33 2.853 7.152 -0.273 190 HA GLN 33 HA GLN 33 4.956 5.131 -0.307 191 2HB GLN 33 2HB GLN 33 4.980 5.359 2.208 192 2HG GLN 33 2HG GLN 33 6.750 6.530 0.634 193 1HE2 GLN 33 1HE2 GLN 33 6.405 8.374 -0.709 194 2HE2 GLN 33 2HE2 GLN 33 6.159 9.993 -0.050 195 H CYS 34 H CYS 34 3.776 3.351 1.456 196 HA CYS 34 HA CYS 34 0.884 3.677 1.316 197 2HB CYS 34 2HB CYS 34 1.483 1.074 0.260 198 H ARG 35 H ARG 35 -0.342 1.838 2.193 199 HA ARG 35 HA ARG 35 1.101 0.632 4.484 200 2HB ARG 35 2HB ARG 35 -0.675 1.557 5.988 201 2HG ARG 35 2HG ARG 35 0.555 3.697 4.286 202 2HD ARG 35 2HD ARG 35 -0.662 4.584 6.257 203 HE ARG 35 HE ARG 35 0.735 2.475 7.368 204 1HH1 ARG 35 1HH1 ARG 35 0.456 5.918 8.105 205 2HH1 ARG 35 2HH1 ARG 35 0.765 5.761 9.811 206 1HH2 ARG 35 1HH2 ARG 35 1.025 2.175 9.683 207 2HH2 ARG 35 2HH2 ARG 35 1.150 3.555 10.733 208 H CYS 36 H CYS 36 -0.002 -0.995 5.500 209 HA CYS 36 HA CYS 36 -2.287 -2.175 3.968 210 2HB CYS 36 2HB CYS 36 0.312 -3.661 4.363 211 H TYR 37 H TYR 37 -3.688 -3.263 5.073 212 HA TYR 37 HA TYR 37 -3.560 -3.410 7.993 213 2HB TYR 37 2HB TYR 37 -5.929 -4.134 7.699 214 HD1 TYR 37 HD1 TYR 37 -4.954 -1.634 8.634 215 HD2 TYR 37 HD2 TYR 37 -6.753 -2.505 4.813 216 HE1 TYR 37 HE1 TYR 37 -5.459 0.757 8.322 217 HE2 TYR 37 HE2 TYR 37 -7.200 -0.104 4.475 218 HH TYR 37 HH TYR 37 -6.543 2.318 7.009 Start of MODEL 17 1 1H PHE 1 1H PHE 1 -1.976 -0.726 8.032 2 HA PHE 1 HA PHE 1 -1.171 -0.565 10.873 3 2HB PHE 1 2HB PHE 1 -1.676 -3.108 9.255 4 HD1 PHE 1 HD1 PHE 1 -3.250 -2.778 12.439 5 HD2 PHE 1 HD2 PHE 1 0.544 -3.798 10.631 6 HE1 PHE 1 HE1 PHE 1 -2.572 -3.948 14.508 7 HE2 PHE 1 HE2 PHE 1 1.229 -4.910 12.732 8 HZ PHE 1 HZ PHE 1 -0.325 -4.998 14.670 9 H GLY 2 H GLY 2 -0.263 -2.382 8.043 10 1HA GLY 2 1HA GLY 2 2.515 -2.407 7.913 11 2HA GLY 2 2HA GLY 2 1.428 -2.275 6.562 12 H LEU 3 H LEU 3 4.130 -0.861 7.153 13 HA LEU 3 HA LEU 3 3.140 1.472 5.790 14 2HB LEU 3 2HB LEU 3 3.388 2.379 8.092 15 HG LEU 3 HG LEU 3 6.316 1.462 7.731 16 1HD1 LEU 3 1HD1 LEU 3 6.838 2.987 9.624 17 2HD1 LEU 3 2HD1 LEU 3 6.243 3.890 8.227 18 3HD1 LEU 3 3HD1 LEU 3 5.177 3.616 9.624 19 1HD2 LEU 3 1HD2 LEU 3 4.977 -0.122 9.078 20 2HD2 LEU 3 2HD2 LEU 3 6.015 0.797 10.161 21 3HD2 LEU 3 3HD2 LEU 3 4.289 1.193 10.056 22 H ILE 4 H ILE 4 4.250 1.714 3.915 23 HA ILE 4 HA ILE 4 6.753 0.186 3.636 24 HB ILE 4 HB ILE 4 5.739 -0.932 1.861 25 2HG1 ILE 4 2HG1 ILE 4 4.378 1.451 1.183 26 1HG2 ILE 4 1HG2 ILE 4 3.347 -0.571 3.748 27 2HG2 ILE 4 2HG2 ILE 4 3.655 -1.915 2.630 28 3HG2 ILE 4 3HG2 ILE 4 4.723 -1.679 4.015 29 1HD1 ILE 4 1HD1 ILE 4 5.373 -0.282 -0.301 30 2HD1 ILE 4 2HD1 ILE 4 4.031 -1.367 0.133 31 3HD1 ILE 4 3HD1 ILE 4 3.697 0.151 -0.739 32 H ASP 5 H ASP 5 7.866 0.868 1.541 33 HA ASP 5 HA ASP 5 8.064 3.783 1.612 34 2HB ASP 5 2HB ASP 5 10.029 2.308 1.888 35 H VAL 6 H VAL 6 6.513 1.436 -0.438 36 HA VAL 6 HA VAL 6 7.679 2.392 -2.838 37 HB VAL 6 HB VAL 6 5.282 0.570 -2.497 38 1HG1 VAL 6 1HG1 VAL 6 7.043 1.115 -4.924 39 2HG1 VAL 6 2HG1 VAL 6 5.883 -0.223 -4.781 40 3HG1 VAL 6 3HG1 VAL 6 5.299 1.443 -4.783 41 1HG2 VAL 6 1HG2 VAL 6 7.396 -0.289 -1.439 42 2HG2 VAL 6 2HG2 VAL 6 6.978 -1.212 -2.881 43 3HG2 VAL 6 3HG2 VAL 6 8.259 0.013 -2.951 44 H LYS 7 H LYS 7 7.128 3.775 -4.321 45 HA LYS 7 HA LYS 7 5.593 5.993 -4.254 46 2HB LYS 7 2HB LYS 7 6.415 4.155 -6.499 47 2HG LYS 7 2HG LYS 7 6.127 6.823 -7.484 48 2HD LYS 7 2HD LYS 7 4.652 4.209 -8.035 49 2HE LYS 7 2HE LYS 7 4.762 6.752 -9.727 50 1HZ LYS 7 1HZ LYS 7 4.665 4.734 -11.028 51 2HZ LYS 7 2HZ LYS 7 3.369 4.189 -10.173 52 3HZ LYS 7 3HZ LYS 7 3.228 5.530 -11.117 53 H CYS 8 H CYS 8 3.476 6.103 -3.584 54 HA CYS 8 HA CYS 8 1.380 4.254 -4.610 55 2HB CYS 8 2HB CYS 8 1.439 6.028 -2.509 56 H PHE 9 H PHE 9 0.334 4.505 -6.498 57 HA PHE 9 HA PHE 9 0.321 7.195 -7.821 58 2HB PHE 9 2HB PHE 9 -0.699 4.480 -8.780 59 HD1 PHE 9 HD1 PHE 9 0.620 7.743 -10.182 60 HD2 PHE 9 HD2 PHE 9 -2.467 4.724 -10.322 61 HE1 PHE 9 HE1 PHE 9 -0.445 8.910 -12.087 62 HE2 PHE 9 HE2 PHE 9 -3.522 5.902 -12.223 63 HZ PHE 9 HZ PHE 9 -2.516 7.994 -13.112 64 H ALA 10 H ALA 10 -1.338 5.204 -5.573 65 HA ALA 10 HA ALA 10 -3.585 6.741 -5.160 66 1HB ALA 10 1HB ALA 10 -5.352 5.245 -6.162 67 2HB ALA 10 2HB ALA 10 -4.427 6.083 -7.411 68 3HB ALA 10 3HB ALA 10 -4.084 4.378 -7.048 69 H SER 11 H SER 11 -5.124 5.367 -3.698 70 HA SER 11 HA SER 11 -3.678 3.677 -1.883 71 2HB SER 11 2HB SER 11 -5.568 4.854 -1.009 72 HG SER 11 HG SER 11 -7.536 4.958 -2.197 73 H SER 12 H SER 12 -5.781 3.057 -4.716 74 HA SER 12 HA SER 12 -6.249 0.365 -4.181 75 2HB SER 12 2HB SER 12 -7.588 1.344 -5.843 76 HG SER 12 HG SER 12 -6.632 2.575 -7.557 77 H GLU 13 H GLU 13 -3.580 1.934 -5.862 78 HA GLU 13 HA GLU 13 -1.960 -0.068 -6.828 79 2HB GLU 13 2HB GLU 13 -1.020 1.961 -4.865 80 2HG GLU 13 2HG GLU 13 0.789 2.423 -6.609 81 H CYS 14 H CYS 14 -2.065 1.052 -3.412 82 HA CYS 14 HA CYS 14 -0.116 -0.498 -2.269 83 2HB CYS 14 2HB CYS 14 -1.091 0.229 -0.215 84 H TRP 15 H TRP 15 -3.381 -1.119 -3.155 85 HA TRP 15 HA TRP 15 -3.862 -3.398 -1.347 86 2HB TRP 15 2HB TRP 15 -5.711 -3.970 -2.804 87 HD1 TRP 15 HD1 TRP 15 -4.845 -1.131 -0.853 88 HE1 TRP 15 HE1 TRP 15 -6.813 0.329 -0.257 89 HE3 TRP 15 HE3 TRP 15 -8.135 -2.916 -4.307 90 HZ2 TRP 15 HZ2 TRP 15 -9.547 0.760 -1.259 91 HZ3 TRP 15 HZ3 TRP 15 -10.418 -1.960 -4.480 92 HH2 TRP 15 HH2 TRP 15 -11.131 -0.126 -2.965 93 H THR 16 H THR 16 -3.318 -3.216 -4.912 94 HA THR 16 HA THR 16 -2.520 -5.908 -5.271 95 HB THR 16 HB THR 16 -1.235 -4.524 -7.264 96 HG1 THR 16 HG1 THR 16 -1.892 -2.505 -6.311 97 1HG2 THR 16 1HG2 THR 16 -3.342 -4.751 -8.547 98 2HG2 THR 16 2HG2 THR 16 -3.024 -6.207 -7.586 99 3HG2 THR 16 3HG2 THR 16 -4.238 -5.018 -7.039 100 H ALA 17 H ALA 17 -0.582 -3.051 -4.141 101 HA ALA 17 HA ALA 17 1.885 -4.447 -4.392 102 1HB ALA 17 1HB ALA 17 2.798 -2.776 -2.874 103 2HB ALA 17 2HB ALA 17 1.666 -1.973 -3.975 104 3HB ALA 17 3HB ALA 17 1.184 -2.333 -2.303 105 H CYS 18 H CYS 18 -0.282 -4.137 -1.558 106 HA CYS 18 HA CYS 18 1.234 -5.772 0.182 107 2HB CYS 18 2HB CYS 18 -1.797 -5.714 0.264 108 H LYS 19 H LYS 19 -1.215 -6.512 -2.280 109 HA LYS 19 HA LYS 19 -1.535 -9.242 -1.637 110 2HB LYS 19 2HB LYS 19 -2.313 -9.252 -4.109 111 2HG LYS 19 2HG LYS 19 -3.555 -7.103 -2.566 112 2HD LYS 19 2HD LYS 19 -5.660 -8.342 -3.166 113 2HE LYS 19 2HE LYS 19 -3.927 -7.911 -5.648 114 1HZ LYS 19 1HZ LYS 19 -6.859 -7.906 -5.345 115 2HZ LYS 19 2HZ LYS 19 -6.031 -7.558 -6.718 116 3HZ LYS 19 3HZ LYS 19 -5.978 -9.077 -6.095 117 H LYS 20 H LYS 20 0.325 -7.665 -4.213 118 HA LYS 20 HA LYS 20 1.740 -9.853 -5.238 119 2HB LYS 20 2HB LYS 20 3.567 -8.058 -5.742 120 2HG LYS 20 2HG LYS 20 2.083 -6.764 -7.297 121 2HD LYS 20 2HD LYS 20 1.624 -9.774 -7.436 122 2HE LYS 20 2HE LYS 20 2.019 -7.626 -9.581 123 1HZ LYS 20 1HZ LYS 20 1.580 -9.404 -11.103 124 2HZ LYS 20 2HZ LYS 20 2.932 -9.743 -10.235 125 3HZ LYS 20 3HZ LYS 20 1.518 -10.514 -9.892 126 H VAL 21 H VAL 21 2.792 -7.762 -2.360 127 HA VAL 21 HA VAL 21 5.212 -9.124 -2.030 128 HB VAL 21 HB VAL 21 3.306 -7.317 -0.478 129 1HG1 VAL 21 1HG1 VAL 21 5.189 -6.802 0.964 130 2HG1 VAL 21 2HG1 VAL 21 4.467 -8.414 1.116 131 3HG1 VAL 21 3HG1 VAL 21 6.036 -8.234 0.269 132 1HG2 VAL 21 1HG2 VAL 21 6.039 -6.764 -1.747 133 2HG2 VAL 21 2HG2 VAL 21 4.520 -6.374 -2.563 134 3HG2 VAL 21 3HG2 VAL 21 4.936 -5.558 -1.047 135 H THR 22 H THR 22 2.061 -9.136 -0.172 136 HA THR 22 HA THR 22 3.067 -11.472 1.234 137 HB THR 22 HB THR 22 1.861 -8.849 1.968 138 HG1 THR 22 HG1 THR 22 3.366 -9.171 3.657 139 1HG2 THR 22 1HG2 THR 22 0.187 -10.235 2.812 140 2HG2 THR 22 2HG2 THR 22 1.348 -11.359 3.572 141 3HG2 THR 22 3HG2 THR 22 1.171 -9.684 4.172 142 H GLY 23 H GLY 23 0.172 -10.002 -0.253 143 1HA GLY 23 1HA GLY 23 -1.440 -11.558 -1.321 144 2HA GLY 23 2HA GLY 23 -1.380 -12.556 0.124 145 H SER 24 H SER 24 -1.237 -9.802 1.605 146 HA SER 24 HA SER 24 -4.005 -10.225 2.479 147 2HB SER 24 2HB SER 24 -3.253 -9.066 4.508 148 HG SER 24 HG SER 24 -2.573 -11.279 4.095 149 H GLY 25 H GLY 25 -4.512 -9.129 0.322 150 1HA GLY 25 1HA GLY 25 -3.587 -6.826 -0.539 151 2HA GLY 25 2HA GLY 25 -5.151 -7.452 -1.003 152 H GLN 26 H GLN 26 -5.109 -6.113 2.270 153 HA GLN 26 HA GLN 26 -6.938 -3.995 1.269 154 2HB GLN 26 2HB GLN 26 -7.953 -4.124 3.414 155 2HG GLN 26 2HG GLN 26 -7.432 -6.971 2.450 156 1HE2 GLN 26 1HE2 GLN 26 -7.922 -7.436 4.812 157 2HE2 GLN 26 2HE2 GLN 26 -9.617 -7.481 5.261 158 H GLY 27 H GLY 27 -6.066 -1.933 1.295 159 1HA GLY 27 1HA GLY 27 -4.413 -0.994 3.508 160 2HA GLY 27 2HA GLY 27 -3.540 -1.283 1.976 161 H LYS 28 H LYS 28 -3.189 1.144 2.398 162 HA LYS 28 HA LYS 28 -4.811 2.608 0.507 163 2HB LYS 28 2HB LYS 28 -5.199 4.559 2.037 164 2HG LYS 28 2HG LYS 28 -6.624 2.149 3.209 165 2HD LYS 28 2HD LYS 28 -7.426 5.083 2.848 166 2HE LYS 28 2HE LYS 28 -9.307 4.470 4.371 167 1HZ LYS 28 1HZ LYS 28 -9.725 4.369 2.005 168 2HZ LYS 28 2HZ LYS 28 -9.299 2.775 1.961 169 3HZ LYS 28 3HZ LYS 28 -10.620 3.258 2.813 170 H CYS 29 H CYS 29 -3.711 4.682 -0.035 171 HA CYS 29 HA CYS 29 -0.812 4.340 0.402 172 2HB CYS 29 2HB CYS 29 -1.769 4.806 -2.106 173 H GLN 30 H GLN 30 0.405 6.355 0.853 174 HA GLN 30 HA GLN 30 -1.116 8.672 1.841 175 2HB GLN 30 2HB GLN 30 1.362 7.534 3.194 176 2HG GLN 30 2HG GLN 30 1.166 9.926 3.546 177 1HE2 GLN 30 1HE2 GLN 30 -1.479 8.861 5.721 178 2HE2 GLN 30 2HE2 GLN 30 -2.627 10.055 5.143 179 H ASN 31 H ASN 31 -0.315 10.372 0.639 180 HA ASN 31 HA ASN 31 1.136 11.780 -0.332 181 2HB ASN 31 2HB ASN 31 3.397 10.247 1.064 182 1HD2 ASN 31 1HD2 ASN 31 4.743 11.269 -0.655 183 2HD2 ASN 31 2HD2 ASN 31 5.068 12.984 -0.494 184 H ASN 32 H ASN 32 3.159 8.928 -0.388 185 HA ASN 32 HA ASN 32 2.849 7.987 -2.843 186 2HB ASN 32 2HB ASN 32 5.642 8.993 -3.195 187 1HD2 ASN 32 1HD2 ASN 32 2.354 9.996 -4.100 188 2HD2 ASN 32 2HD2 ASN 32 2.261 8.836 -5.355 189 H GLN 33 H GLN 33 2.772 7.017 -0.418 190 HA GLN 33 HA GLN 33 4.724 4.908 -0.366 191 2HB GLN 33 2HB GLN 33 4.844 5.264 2.166 192 2HG GLN 33 2HG GLN 33 6.092 7.586 0.648 193 1HE2 GLN 33 1HE2 GLN 33 8.662 6.128 1.633 194 2HE2 GLN 33 2HE2 GLN 33 8.782 6.672 3.298 195 H CYS 34 H CYS 34 3.565 3.349 1.588 196 HA CYS 34 HA CYS 34 0.664 3.663 1.477 197 2HB CYS 34 2HB CYS 34 1.187 1.073 0.502 198 H ARG 35 H ARG 35 -0.468 1.888 2.435 199 HA ARG 35 HA ARG 35 1.001 0.576 4.634 200 2HB ARG 35 2HB ARG 35 -0.864 1.297 6.173 201 2HG ARG 35 2HG ARG 35 0.452 3.654 4.876 202 2HD ARG 35 2HD ARG 35 -1.054 4.022 6.881 203 HE ARG 35 HE ARG 35 0.698 1.987 7.732 204 1HH1 ARG 35 1HH1 ARG 35 -0.970 4.798 9.013 205 2HH1 ARG 35 2HH1 ARG 35 -1.006 4.287 10.675 206 1HH2 ARG 35 1HH2 ARG 35 0.752 1.244 10.001 207 2HH2 ARG 35 2HH2 ARG 35 0.020 2.206 11.242 208 H CYS 36 H CYS 36 -0.129 -1.119 5.528 209 HA CYS 36 HA CYS 36 -2.509 -2.152 4.005 210 2HB CYS 36 2HB CYS 36 -0.015 -3.812 4.551 211 H TYR 37 H TYR 37 -3.651 -3.869 5.166 212 HA TYR 37 HA TYR 37 -3.854 -3.090 7.944 213 2HB TYR 37 2HB TYR 37 -5.667 -3.807 6.098 214 HD1 TYR 37 HD1 TYR 37 -4.670 -6.059 5.009 215 HD2 TYR 37 HD2 TYR 37 -6.704 -5.843 8.810 216 HE1 TYR 37 HE1 TYR 37 -5.435 -8.398 4.743 217 HE2 TYR 37 HE2 TYR 37 -7.327 -8.231 8.604 218 HH TYR 37 HH TYR 37 -6.494 -10.208 5.749 Start of MODEL 18 1 1H PHE 1 1H PHE 1 0.540 -6.451 9.383 2 HA PHE 1 HA PHE 1 0.078 -4.474 7.434 3 2HB PHE 1 2HB PHE 1 -1.602 -3.620 8.943 4 HD1 PHE 1 HD1 PHE 1 -1.603 -6.086 7.118 5 HD2 PHE 1 HD2 PHE 1 -2.444 -5.616 11.331 6 HE1 PHE 1 HE1 PHE 1 -3.062 -8.085 7.070 7 HE2 PHE 1 HE2 PHE 1 -3.911 -7.602 11.253 8 HZ PHE 1 HZ PHE 1 -4.232 -8.835 9.119 9 H GLY 2 H GLY 2 0.322 -2.199 7.468 10 1HA GLY 2 1HA GLY 2 0.881 -0.317 8.935 11 2HA GLY 2 2HA GLY 2 2.471 -1.075 9.248 12 H LEU 3 H LEU 3 3.734 0.549 8.252 13 HA LEU 3 HA LEU 3 2.827 1.609 5.658 14 2HB LEU 3 2HB LEU 3 3.358 3.308 7.314 15 HG LEU 3 HG LEU 3 5.961 1.753 7.620 16 1HD1 LEU 3 1HD1 LEU 3 7.176 3.852 8.172 17 2HD1 LEU 3 2HD1 LEU 3 6.711 3.803 6.467 18 3HD1 LEU 3 3HD1 LEU 3 5.809 4.832 7.601 19 1HD2 LEU 3 1HD2 LEU 3 5.817 2.707 9.891 20 2HD2 LEU 3 2HD2 LEU 3 4.460 3.752 9.444 21 3HD2 LEU 3 3HD2 LEU 3 4.252 1.991 9.496 22 H ILE 4 H ILE 4 4.073 1.674 3.743 23 HA ILE 4 HA ILE 4 6.478 -0.030 3.685 24 HB ILE 4 HB ILE 4 5.588 -0.965 1.723 25 2HG1 ILE 4 2HG1 ILE 4 4.425 1.627 1.128 26 1HG2 ILE 4 1HG2 ILE 4 4.245 -1.658 3.727 27 2HG2 ILE 4 2HG2 ILE 4 3.025 -0.428 3.307 28 3HG2 ILE 4 3HG2 ILE 4 3.358 -1.775 2.198 29 1HD1 ILE 4 1HD1 ILE 4 4.223 0.690 -1.040 30 2HD1 ILE 4 2HD1 ILE 4 5.773 0.153 -0.333 31 3HD1 ILE 4 3HD1 ILE 4 4.391 -0.970 -0.406 32 H ASP 5 H ASP 5 7.875 0.766 1.760 33 HA ASP 5 HA ASP 5 7.605 3.724 1.345 34 2HB ASP 5 2HB ASP 5 10.126 3.647 1.471 35 H VAL 6 H VAL 6 6.379 2.353 -0.395 36 HA VAL 6 HA VAL 6 8.103 2.805 -2.767 37 HB VAL 6 HB VAL 6 6.029 0.578 -2.647 38 1HG1 VAL 6 1HG1 VAL 6 7.936 1.478 -4.845 39 2HG1 VAL 6 2HG1 VAL 6 6.960 -0.004 -4.881 40 3HG1 VAL 6 3HG1 VAL 6 6.157 1.568 -4.878 41 1HG2 VAL 6 1HG2 VAL 6 7.994 -0.931 -2.940 42 2HG2 VAL 6 2HG2 VAL 6 9.079 0.459 -2.739 43 3HG2 VAL 6 3HG2 VAL 6 8.057 -0.084 -1.395 44 H LYS 7 H LYS 7 7.150 3.950 -4.342 45 HA LYS 7 HA LYS 7 5.391 5.905 -3.624 46 2HB LYS 7 2HB LYS 7 6.981 6.163 -5.393 47 2HG LYS 7 2HG LYS 7 5.186 4.434 -7.171 48 2HD LYS 7 2HD LYS 7 7.164 4.502 -8.675 49 2HE LYS 7 2HE LYS 7 6.150 7.309 -7.983 50 1HZ LYS 7 1HZ LYS 7 7.927 7.286 -9.589 51 2HZ LYS 7 2HZ LYS 7 7.125 6.198 -10.529 52 3HZ LYS 7 3HZ LYS 7 6.508 7.703 -10.299 53 H CYS 8 H CYS 8 3.274 6.276 -3.605 54 HA CYS 8 HA CYS 8 1.273 4.317 -4.649 55 2HB CYS 8 2HB CYS 8 1.220 5.946 -2.510 56 H PHE 9 H PHE 9 0.297 4.662 -6.588 57 HA PHE 9 HA PHE 9 0.334 7.360 -7.853 58 2HB PHE 9 2HB PHE 9 -1.273 5.192 -9.071 59 HD1 PHE 9 HD1 PHE 9 -2.110 6.513 -10.861 60 HD2 PHE 9 HD2 PHE 9 2.076 6.702 -9.851 61 HE1 PHE 9 HE1 PHE 9 -1.685 7.890 -12.879 62 HE2 PHE 9 HE2 PHE 9 2.499 8.093 -11.873 63 HZ PHE 9 HZ PHE 9 0.617 8.678 -13.391 64 H ALA 10 H ALA 10 -1.396 5.256 -5.693 65 HA ALA 10 HA ALA 10 -3.556 6.919 -5.099 66 1HB ALA 10 1HB ALA 10 -4.436 6.357 -7.360 67 2HB ALA 10 2HB ALA 10 -4.102 4.642 -7.058 68 3HB ALA 10 3HB ALA 10 -5.370 5.475 -6.142 69 H SER 11 H SER 11 -5.138 5.443 -3.746 70 HA SER 11 HA SER 11 -3.716 3.636 -1.982 71 2HB SER 11 2HB SER 11 -6.120 3.109 -1.275 72 HG SER 11 HG SER 11 -6.374 5.415 -0.605 73 H SER 12 H SER 12 -5.477 3.054 -5.038 74 HA SER 12 HA SER 12 -6.269 0.456 -4.505 75 2HB SER 12 2HB SER 12 -7.210 1.388 -6.417 76 HG SER 12 HG SER 12 -4.678 2.372 -7.334 77 H GLU 13 H GLU 13 -3.343 1.578 -6.244 78 HA GLU 13 HA GLU 13 -1.727 -0.415 -6.722 79 2HB GLU 13 2HB GLU 13 -0.299 1.273 -5.205 80 2HG GLU 13 2HG GLU 13 -0.251 1.030 -7.843 81 H CYS 14 H CYS 14 -2.058 0.972 -3.395 82 HA CYS 14 HA CYS 14 -0.056 -0.434 -2.095 83 2HB CYS 14 2HB CYS 14 -1.110 0.310 -0.144 84 H TRP 15 H TRP 15 -3.198 -1.222 -3.147 85 HA TRP 15 HA TRP 15 -3.764 -3.388 -1.203 86 2HB TRP 15 2HB TRP 15 -5.583 -4.019 -2.618 87 HD1 TRP 15 HD1 TRP 15 -4.815 -1.102 -0.854 88 HE1 TRP 15 HE1 TRP 15 -6.799 0.436 -0.471 89 HE3 TRP 15 HE3 TRP 15 -7.845 -2.952 -4.469 90 HZ2 TRP 15 HZ2 TRP 15 -9.407 0.908 -1.742 91 HZ3 TRP 15 HZ3 TRP 15 -10.048 -1.894 -4.948 92 HH2 TRP 15 HH2 TRP 15 -10.845 0.012 -3.570 93 H THR 16 H THR 16 -3.185 -3.333 -4.766 94 HA THR 16 HA THR 16 -2.387 -6.005 -5.066 95 HB THR 16 HB THR 16 -1.050 -4.709 -7.051 96 HG1 THR 16 HG1 THR 16 -1.582 -2.650 -6.078 97 1HG2 THR 16 1HG2 THR 16 -2.957 -6.257 -7.375 98 2HG2 THR 16 2HG2 THR 16 -4.083 -4.988 -6.838 99 3HG2 THR 16 3HG2 THR 16 -3.163 -4.784 -8.342 100 H ALA 17 H ALA 17 -0.490 -3.163 -3.867 101 HA ALA 17 HA ALA 17 2.022 -4.510 -4.053 102 1HB ALA 17 1HB ALA 17 1.197 -2.406 -1.981 103 2HB ALA 17 2HB ALA 17 2.838 -2.837 -2.460 104 3HB ALA 17 3HB ALA 17 1.764 -2.033 -3.616 105 H CYS 18 H CYS 18 -0.264 -4.225 -1.299 106 HA CYS 18 HA CYS 18 1.204 -5.965 0.398 107 2HB CYS 18 2HB CYS 18 -1.780 -5.859 0.639 108 H LYS 19 H LYS 19 -1.209 -6.580 -2.156 109 HA LYS 19 HA LYS 19 -1.663 -9.296 -1.521 110 2HB LYS 19 2HB LYS 19 -2.339 -9.361 -3.950 111 2HG LYS 19 2HG LYS 19 -3.447 -7.030 -2.603 112 2HD LYS 19 2HD LYS 19 -4.440 -7.922 -4.841 113 2HE LYS 19 2HE LYS 19 -5.305 -10.105 -2.851 114 1HZ LYS 19 1HZ LYS 19 -6.622 -10.958 -4.629 115 2HZ LYS 19 2HZ LYS 19 -7.144 -9.454 -4.233 116 3HZ LYS 19 3HZ LYS 19 -6.259 -9.687 -5.604 117 H LYS 20 H LYS 20 0.460 -7.752 -3.881 118 HA LYS 20 HA LYS 20 1.800 -10.087 -4.807 119 2HB LYS 20 2HB LYS 20 3.637 -8.440 -5.481 120 2HG LYS 20 2HG LYS 20 2.150 -7.076 -7.005 121 2HD LYS 20 2HD LYS 20 1.553 -10.068 -7.006 122 2HE LYS 20 2HE LYS 20 1.707 -7.999 -9.254 123 1HZ LYS 20 1HZ LYS 20 1.032 -10.867 -9.374 124 2HZ LYS 20 2HZ LYS 20 0.966 -9.803 -10.626 125 3HZ LYS 20 3HZ LYS 20 2.414 -10.185 -9.953 126 H VAL 21 H VAL 21 2.624 -7.963 -1.910 127 HA VAL 21 HA VAL 21 5.040 -9.298 -1.368 128 HB VAL 21 HB VAL 21 3.006 -7.497 -0.018 129 1HG1 VAL 21 1HG1 VAL 21 5.536 -8.529 1.092 130 2HG1 VAL 21 2HG1 VAL 21 4.818 -6.950 1.577 131 3HG1 VAL 21 3HG1 VAL 21 3.857 -8.424 1.730 132 1HG2 VAL 21 1HG2 VAL 21 5.879 -6.959 -0.944 133 2HG2 VAL 21 2HG2 VAL 21 4.494 -6.609 -1.985 134 3HG2 VAL 21 3HG2 VAL 21 4.686 -5.735 -0.454 135 H THR 22 H THR 22 1.874 -9.218 0.446 136 HA THR 22 HA THR 22 2.707 -11.739 1.630 137 HB THR 22 HB THR 22 0.783 -10.976 3.313 138 HG1 THR 22 HG1 THR 22 1.105 -8.609 3.449 139 1HG2 THR 22 1HG2 THR 22 3.050 -11.414 3.983 140 2HG2 THR 22 2HG2 THR 22 3.630 -9.905 3.278 141 3HG2 THR 22 3HG2 THR 22 2.530 -9.869 4.670 142 H GLY 23 H GLY 23 0.010 -10.153 0.010 143 1HA GLY 23 1HA GLY 23 -1.710 -11.570 -1.168 144 2HA GLY 23 2HA GLY 23 -1.734 -12.600 0.259 145 H SER 24 H SER 24 -1.266 -9.768 1.690 146 HA SER 24 HA SER 24 -4.026 -9.858 2.691 147 2HB SER 24 2HB SER 24 -1.514 -8.392 3.588 148 HG SER 24 HG SER 24 -3.401 -7.309 4.199 149 H GLY 25 H GLY 25 -4.632 -9.017 0.435 150 1HA GLY 25 1HA GLY 25 -3.712 -6.676 -0.603 151 2HA GLY 25 2HA GLY 25 -5.219 -7.448 -1.056 152 H GLN 26 H GLN 26 -4.878 -5.788 2.112 153 HA GLN 26 HA GLN 26 -6.956 -3.865 1.235 154 2HB GLN 26 2HB GLN 26 -7.772 -3.987 3.475 155 2HG GLN 26 2HG GLN 26 -7.151 -6.831 2.588 156 1HE2 GLN 26 1HE2 GLN 26 -10.073 -4.858 3.437 157 2HE2 GLN 26 2HE2 GLN 26 -10.607 -5.973 4.685 158 H GLY 27 H GLY 27 -5.997 -1.795 1.091 159 1HA GLY 27 1HA GLY 27 -4.228 -0.856 3.218 160 2HA GLY 27 2HA GLY 27 -3.444 -1.114 1.635 161 H LYS 28 H LYS 28 -3.182 1.346 2.269 162 HA LYS 28 HA LYS 28 -4.937 2.860 0.531 163 2HB LYS 28 2HB LYS 28 -5.452 4.603 2.223 164 2HG LYS 28 2HG LYS 28 -6.336 1.920 3.368 165 2HD LYS 28 2HD LYS 28 -7.596 4.674 3.576 166 2HE LYS 28 2HE LYS 28 -8.368 1.916 4.680 167 1HZ LYS 28 1HZ LYS 28 -10.244 3.049 5.607 168 2HZ LYS 28 2HZ LYS 28 -8.861 3.646 6.260 169 3HZ LYS 28 3HZ LYS 28 -9.682 4.513 5.125 170 H CYS 29 H CYS 29 -3.873 4.765 -0.201 171 HA CYS 29 HA CYS 29 -0.965 4.550 0.301 172 2HB CYS 29 2HB CYS 29 -1.886 4.886 -2.172 173 H GLN 30 H GLN 30 0.171 6.699 0.560 174 HA GLN 30 HA GLN 30 -1.390 8.901 1.754 175 2HB GLN 30 2HB GLN 30 1.154 7.723 2.946 176 2HG GLN 30 2HG GLN 30 -0.808 9.905 3.793 177 1HE2 GLN 30 1HE2 GLN 30 0.108 11.122 5.820 178 2HE2 GLN 30 2HE2 GLN 30 0.379 10.086 7.202 179 H ASN 31 H ASN 31 -0.818 10.553 0.348 180 HA ASN 31 HA ASN 31 0.443 11.986 -0.870 181 2HB ASN 31 2HB ASN 31 2.898 12.175 -0.121 182 1HD2 ASN 31 1HD2 ASN 31 3.062 12.278 2.798 183 2HD2 ASN 31 2HD2 ASN 31 1.884 13.481 3.290 184 H ASN 32 H ASN 32 3.004 9.657 -0.623 185 HA ASN 32 HA ASN 32 2.524 8.253 -3.031 186 2HB ASN 32 2HB ASN 32 4.722 8.784 -4.222 187 1HD2 ASN 32 1HD2 ASN 32 2.382 8.961 -5.215 188 2HD2 ASN 32 2HD2 ASN 32 1.766 10.604 -5.202 189 H GLN 33 H GLN 33 2.535 7.487 -0.561 190 HA GLN 33 HA GLN 33 4.722 5.555 -0.369 191 2HB GLN 33 2HB GLN 33 3.616 7.266 1.934 192 2HG GLN 33 2HG GLN 33 5.990 5.359 1.967 193 1HE2 GLN 33 1HE2 GLN 33 7.351 5.614 3.821 194 2HE2 GLN 33 2HE2 GLN 33 6.898 6.658 5.146 195 H CYS 34 H CYS 34 3.599 3.644 1.128 196 HA CYS 34 HA CYS 34 0.688 3.875 1.072 197 2HB CYS 34 2HB CYS 34 1.403 1.298 0.000 198 H ARG 35 H ARG 35 -0.468 2.181 2.103 199 HA ARG 35 HA ARG 35 1.137 0.881 4.207 200 2HB ARG 35 2HB ARG 35 -0.183 1.874 5.978 201 2HG ARG 35 2HG ARG 35 0.498 3.985 3.971 202 2HD ARG 35 2HD ARG 35 -0.629 4.990 5.860 203 HE ARG 35 HE ARG 35 1.056 3.345 7.193 204 1HH1 ARG 35 1HH1 ARG 35 0.771 6.883 7.139 205 2HH1 ARG 35 2HH1 ARG 35 1.284 7.133 8.776 206 1HH2 ARG 35 1HH2 ARG 35 1.727 3.667 9.470 207 2HH2 ARG 35 2HH2 ARG 35 1.868 5.267 10.118 208 H CYS 36 H CYS 36 -0.058 -0.630 5.380 209 HA CYS 36 HA CYS 36 -2.321 -1.871 3.844 210 2HB CYS 36 2HB CYS 36 0.204 -3.357 4.608 211 H TYR 37 H TYR 37 -3.735 -3.058 4.999 212 HA TYR 37 HA TYR 37 -3.698 -2.542 7.950 213 2HB TYR 37 2HB TYR 37 -5.836 -2.340 5.796 214 HD1 TYR 37 HD1 TYR 37 -7.875 -3.216 6.588 215 HD2 TYR 37 HD2 TYR 37 -5.390 -0.899 9.247 216 HE1 TYR 37 HE1 TYR 37 -9.677 -3.216 8.276 217 HE2 TYR 37 HE2 TYR 37 -7.196 -0.905 10.939 218 HH TYR 37 HH TYR 37 -9.328 -1.627 11.463 Start of MODEL 19 1 1H PHE 1 1H PHE 1 0.624 -7.035 8.770 2 HA PHE 1 HA PHE 1 -0.131 -4.851 7.016 3 2HB PHE 1 2HB PHE 1 -1.360 -4.019 8.934 4 HD1 PHE 1 HD1 PHE 1 -1.680 -6.632 6.924 5 HD2 PHE 1 HD2 PHE 1 -2.555 -5.711 11.057 6 HE1 PHE 1 HE1 PHE 1 -3.432 -8.373 6.956 7 HE2 PHE 1 HE2 PHE 1 -4.334 -7.433 11.054 8 HZ PHE 1 HZ PHE 1 -4.773 -8.768 9.004 9 H GLY 2 H GLY 2 0.192 -2.567 7.618 10 1HA GLY 2 1HA GLY 2 1.163 -1.015 9.092 11 2HA GLY 2 2HA GLY 2 2.680 -1.953 9.196 12 H LEU 3 H LEU 3 4.074 -0.337 8.357 13 HA LEU 3 HA LEU 3 3.021 1.187 6.127 14 2HB LEU 3 2HB LEU 3 3.210 2.399 8.292 15 HG LEU 3 HG LEU 3 6.237 2.020 7.794 16 1HD1 LEU 3 1HD1 LEU 3 4.774 4.160 9.472 17 2HD1 LEU 3 2HD1 LEU 3 6.530 3.883 9.421 18 3HD1 LEU 3 3HD1 LEU 3 5.684 4.436 7.969 19 1HD2 LEU 3 1HD2 LEU 3 4.415 1.637 10.261 20 2HD2 LEU 3 2HD2 LEU 3 5.424 0.421 9.435 21 3HD2 LEU 3 3HD2 LEU 3 6.186 1.722 10.337 22 H ILE 4 H ILE 4 3.959 1.595 4.144 23 HA ILE 4 HA ILE 4 6.605 0.446 3.754 24 HB ILE 4 HB ILE 4 5.512 -0.967 2.295 25 2HG1 ILE 4 2HG1 ILE 4 4.084 1.331 1.319 26 1HG2 ILE 4 1HG2 ILE 4 3.061 -0.331 4.063 27 2HG2 ILE 4 2HG2 ILE 4 3.329 -1.778 3.073 28 3HG2 ILE 4 3HG2 ILE 4 4.378 -1.467 4.453 29 1HD1 ILE 4 1HD1 ILE 4 5.281 -0.331 -0.042 30 2HD1 ILE 4 2HD1 ILE 4 4.157 -1.599 0.533 31 3HD1 ILE 4 3HD1 ILE 4 3.540 -0.275 -0.476 32 H ASP 5 H ASP 5 7.553 1.494 1.759 33 HA ASP 5 HA ASP 5 6.473 4.276 1.395 34 2HB ASP 5 2HB ASP 5 9.298 4.452 1.260 35 H VAL 6 H VAL 6 5.909 2.101 -0.240 36 HA VAL 6 HA VAL 6 7.484 2.584 -2.673 37 HB VAL 6 HB VAL 6 6.306 0.380 -2.069 38 1HG1 VAL 6 1HG1 VAL 6 4.080 0.042 -2.914 39 2HG1 VAL 6 2HG1 VAL 6 4.000 1.461 -1.845 40 3HG1 VAL 6 3HG1 VAL 6 4.002 1.669 -3.607 41 1HG2 VAL 6 1HG2 VAL 6 7.557 0.771 -4.135 42 2HG2 VAL 6 2HG2 VAL 6 6.098 -0.182 -4.451 43 3HG2 VAL 6 3HG2 VAL 6 6.137 1.539 -4.877 44 H LYS 7 H LYS 7 6.990 3.921 -4.315 45 HA LYS 7 HA LYS 7 5.469 6.239 -3.788 46 2HB LYS 7 2HB LYS 7 6.033 6.775 -6.204 47 2HG LYS 7 2HG LYS 7 7.915 6.185 -3.934 48 2HD LYS 7 2HD LYS 7 9.140 5.357 -5.851 49 2HE LYS 7 2HE LYS 7 8.779 8.192 -6.973 50 1HZ LYS 7 1HZ LYS 7 10.947 7.271 -7.455 51 2HZ LYS 7 2HZ LYS 7 10.271 5.908 -8.085 52 3HZ LYS 7 3HZ LYS 7 10.038 7.357 -8.820 53 H CYS 8 H CYS 8 3.386 5.898 -3.425 54 HA CYS 8 HA CYS 8 1.515 4.360 -4.971 55 2HB CYS 8 2HB CYS 8 1.139 5.176 -2.836 56 H PHE 9 H PHE 9 0.861 4.694 -6.976 57 HA PHE 9 HA PHE 9 0.444 7.388 -8.163 58 2HB PHE 9 2HB PHE 9 -0.527 6.019 -10.019 59 HD1 PHE 9 HD1 PHE 9 1.145 7.260 -11.267 60 HD2 PHE 9 HD2 PHE 9 2.359 4.023 -8.675 61 HE1 PHE 9 HE1 PHE 9 3.425 7.322 -12.236 62 HE2 PHE 9 HE2 PHE 9 4.624 4.111 -9.620 63 HZ PHE 9 HZ PHE 9 5.171 5.747 -11.426 64 H ALA 10 H ALA 10 -1.136 4.805 -6.285 65 HA ALA 10 HA ALA 10 -3.407 6.475 -5.727 66 1HB ALA 10 1HB ALA 10 -4.131 5.687 -7.976 67 2HB ALA 10 2HB ALA 10 -3.859 4.005 -7.475 68 3HB ALA 10 3HB ALA 10 -5.135 4.972 -6.706 69 H SER 11 H SER 11 -4.897 5.355 -4.149 70 HA SER 11 HA SER 11 -3.560 3.727 -2.207 71 2HB SER 11 2HB SER 11 -5.418 5.038 -1.471 72 HG SER 11 HG SER 11 -7.123 4.056 -3.475 73 H SER 12 H SER 12 -5.685 2.937 -5.011 74 HA SER 12 HA SER 12 -6.159 0.284 -4.236 75 2HB SER 12 2HB SER 12 -7.628 1.006 -5.852 76 HG SER 12 HG SER 12 -6.930 2.411 -7.569 77 H GLU 13 H GLU 13 -3.332 1.800 -5.629 78 HA GLU 13 HA GLU 13 -2.009 -0.477 -6.732 79 2HB GLU 13 2HB GLU 13 -0.866 1.711 -5.062 80 2HG GLU 13 2HG GLU 13 0.194 0.394 -7.628 81 H CYS 14 H CYS 14 -2.232 0.912 -3.404 82 HA CYS 14 HA CYS 14 -0.171 -0.507 -2.145 83 2HB CYS 14 2HB CYS 14 -1.231 0.244 -0.167 84 H TRP 15 H TRP 15 -3.396 -1.142 -3.143 85 HA TRP 15 HA TRP 15 -3.965 -3.346 -1.273 86 2HB TRP 15 2HB TRP 15 -5.777 -3.935 -2.800 87 HD1 TRP 15 HD1 TRP 15 -4.919 -1.048 -0.840 88 HE1 TRP 15 HE1 TRP 15 -6.933 0.394 -0.282 89 HE3 TRP 15 HE3 TRP 15 -8.152 -2.955 -4.266 90 HZ2 TRP 15 HZ2 TRP 15 -9.652 0.757 -1.305 91 HZ3 TRP 15 HZ3 TRP 15 -10.450 -2.025 -4.494 92 HH2 TRP 15 HH2 TRP 15 -11.208 -0.180 -3.012 93 H THR 16 H THR 16 -3.316 -3.355 -4.847 94 HA THR 16 HA THR 16 -2.574 -6.094 -5.023 95 HB THR 16 HB THR 16 -1.352 -4.971 -7.128 96 HG1 THR 16 HG1 THR 16 -2.366 -2.957 -7.576 97 1HG2 THR 16 1HG2 THR 16 -3.405 -6.326 -7.302 98 2HG2 THR 16 2HG2 THR 16 -4.384 -4.955 -6.723 99 3HG2 THR 16 3HG2 THR 16 -3.562 -4.869 -8.292 100 H ALA 17 H ALA 17 -0.719 -3.217 -3.949 101 HA ALA 17 HA ALA 17 1.802 -4.524 -4.140 102 1HB ALA 17 1HB ALA 17 1.024 -2.382 -2.120 103 2HB ALA 17 2HB ALA 17 2.651 -2.800 -2.643 104 3HB ALA 17 3HB ALA 17 1.532 -2.045 -3.791 105 H CYS 18 H CYS 18 -0.442 -4.179 -1.353 106 HA CYS 18 HA CYS 18 1.144 -5.763 0.394 107 2HB CYS 18 2HB CYS 18 -1.840 -5.772 0.717 108 H LYS 19 H LYS 19 -1.307 -6.548 -2.053 109 HA LYS 19 HA LYS 19 -1.629 -9.261 -1.340 110 2HB LYS 19 2HB LYS 19 -2.349 -9.411 -3.764 111 2HG LYS 19 2HG LYS 19 -3.577 -7.111 -2.453 112 2HD LYS 19 2HD LYS 19 -5.698 -8.224 -2.934 113 2HE LYS 19 2HE LYS 19 -4.718 -6.985 -4.919 114 1HZ LYS 19 1HZ LYS 19 -4.177 -8.432 -6.792 115 2HZ LYS 19 2HZ LYS 19 -3.068 -8.628 -5.591 116 3HZ LYS 19 3HZ LYS 19 -4.233 -9.760 -5.832 117 H LYS 20 H LYS 20 0.322 -7.823 -4.022 118 HA LYS 20 HA LYS 20 1.552 -10.181 -4.705 119 2HB LYS 20 2HB LYS 20 1.300 -7.929 -5.932 120 2HG LYS 20 2HG LYS 20 4.162 -7.590 -4.922 121 2HD LYS 20 2HD LYS 20 2.417 -5.898 -6.790 122 2HE LYS 20 2HE LYS 20 4.624 -4.862 -7.421 123 1HZ LYS 20 1HZ LYS 20 4.019 -4.516 -4.566 124 2HZ LYS 20 2HZ LYS 20 4.868 -3.481 -5.515 125 3HZ LYS 20 3HZ LYS 20 3.272 -3.720 -5.801 126 H VAL 21 H VAL 21 2.599 -7.896 -2.031 127 HA VAL 21 HA VAL 21 5.106 -9.163 -1.653 128 HB VAL 21 HB VAL 21 3.178 -7.286 -0.224 129 1HG1 VAL 21 1HG1 VAL 21 5.925 -8.119 0.553 130 2HG1 VAL 21 2HG1 VAL 21 5.105 -6.623 1.135 131 3HG1 VAL 21 3HG1 VAL 21 4.366 -8.202 1.432 132 1HG2 VAL 21 1HG2 VAL 21 4.785 -5.543 -0.943 133 2HG2 VAL 21 2HG2 VAL 21 5.900 -6.799 -1.544 134 3HG2 VAL 21 3HG2 VAL 21 4.380 -6.488 -2.393 135 H THR 22 H THR 22 1.896 -9.062 0.065 136 HA THR 22 HA THR 22 2.718 -11.466 1.477 137 HB THR 22 HB THR 22 3.566 -9.674 2.781 138 HG1 THR 22 HG1 THR 22 1.334 -10.915 3.923 139 1HG2 THR 22 1HG2 THR 22 0.726 -8.600 2.997 140 2HG2 THR 22 2HG2 THR 22 2.140 -8.007 3.881 141 3HG2 THR 22 3HG2 THR 22 2.060 -7.822 2.123 142 H GLY 23 H GLY 23 0.489 -10.944 -0.498 143 1HA GLY 23 1HA GLY 23 -1.615 -11.759 -0.830 144 2HA GLY 23 2HA GLY 23 -1.528 -12.517 0.758 145 H SER 24 H SER 24 -1.113 -9.633 1.882 146 HA SER 24 HA SER 24 -3.850 -9.804 2.843 147 2HB SER 24 2HB SER 24 -3.009 -8.411 4.662 148 HG SER 24 HG SER 24 -1.203 -10.464 3.801 149 H GLY 25 H GLY 25 -4.540 -8.940 0.654 150 1HA GLY 25 1HA GLY 25 -3.660 -6.687 -0.454 151 2HA GLY 25 2HA GLY 25 -5.238 -7.393 -0.802 152 H GLN 26 H GLN 26 -4.973 -5.802 2.353 153 HA GLN 26 HA GLN 26 -6.920 -3.788 1.357 154 2HB GLN 26 2HB GLN 26 -7.798 -3.854 3.592 155 2HG GLN 26 2HG GLN 26 -7.306 -6.721 2.679 156 1HE2 GLN 26 1HE2 GLN 26 -7.720 -7.259 5.006 157 2HE2 GLN 26 2HE2 GLN 26 -9.388 -7.225 5.556 158 H GLY 27 H GLY 27 -6.141 -1.646 1.360 159 1HA GLY 27 1HA GLY 27 -4.518 -0.635 3.511 160 2HA GLY 27 2HA GLY 27 -3.548 -0.977 2.055 161 H LYS 28 H LYS 28 -3.213 1.440 2.280 162 HA LYS 28 HA LYS 28 -4.712 2.729 0.215 163 2HB LYS 28 2HB LYS 28 -6.319 3.263 1.913 164 2HG LYS 28 2HG LYS 28 -4.800 2.898 3.919 165 2HD LYS 28 2HD LYS 28 -3.131 4.864 3.363 166 2HE LYS 28 2HE LYS 28 -3.730 6.926 4.611 167 1HZ LYS 28 1HZ LYS 28 -5.085 7.949 2.983 168 2HZ LYS 28 2HZ LYS 28 -4.028 6.944 2.226 169 3HZ LYS 28 3HZ LYS 28 -5.612 6.507 2.398 170 H CYS 29 H CYS 29 -3.712 4.754 -0.417 171 HA CYS 29 HA CYS 29 -0.823 4.557 0.106 172 2HB CYS 29 2HB CYS 29 -1.568 4.706 -2.394 173 H GLN 30 H GLN 30 0.316 6.756 0.291 174 HA GLN 30 HA GLN 30 -1.175 8.960 1.582 175 2HB GLN 30 2HB GLN 30 1.239 7.564 2.830 176 2HG GLN 30 2HG GLN 30 -0.687 9.642 3.922 177 1HE2 GLN 30 1HE2 GLN 30 -0.547 10.102 6.181 178 2HE2 GLN 30 2HE2 GLN 30 0.312 9.042 7.277 179 H ASN 31 H ASN 31 -0.305 10.733 0.401 180 HA ASN 31 HA ASN 31 1.128 12.031 -0.766 181 2HB ASN 31 2HB ASN 31 3.655 11.717 0.007 182 1HD2 ASN 31 1HD2 ASN 31 1.367 11.858 2.751 183 2HD2 ASN 31 2HD2 ASN 31 1.457 13.609 2.888 184 H ASN 32 H ASN 32 3.539 9.581 -0.547 185 HA ASN 32 HA ASN 32 2.824 8.120 -2.898 186 2HB ASN 32 2HB ASN 32 4.900 8.365 -4.225 187 1HD2 ASN 32 1HD2 ASN 32 2.723 8.971 -5.207 188 2HD2 ASN 32 2HD2 ASN 32 2.376 10.698 -5.128 189 H GLN 33 H GLN 33 2.641 7.300 -0.617 190 HA GLN 33 HA GLN 33 4.696 5.252 -0.139 191 2HB GLN 33 2HB GLN 33 4.181 5.662 2.311 192 2HG GLN 33 2HG GLN 33 6.302 6.378 1.092 193 1HE2 GLN 33 1HE2 GLN 33 7.862 8.077 1.661 194 2HE2 GLN 33 2HE2 GLN 33 7.510 9.710 1.028 195 H CYS 34 H CYS 34 3.424 3.558 1.469 196 HA CYS 34 HA CYS 34 0.525 3.715 1.224 197 2HB CYS 34 2HB CYS 34 1.227 1.139 0.354 198 H ARG 35 H ARG 35 -0.567 2.126 2.428 199 HA ARG 35 HA ARG 35 1.014 0.799 4.513 200 2HB ARG 35 2HB ARG 35 -0.670 2.090 6.157 201 2HG ARG 35 2HG ARG 35 1.949 2.536 5.190 202 2HD ARG 35 2HD ARG 35 1.667 5.005 6.525 203 HE ARG 35 HE ARG 35 2.895 3.874 4.057 204 1HH1 ARG 35 1HH1 ARG 35 2.866 6.883 5.863 205 2HH1 ARG 35 2HH1 ARG 35 4.611 7.016 5.975 206 1HH2 ARG 35 1HH2 ARG 35 5.119 4.093 4.018 207 2HH2 ARG 35 2HH2 ARG 35 5.991 5.410 4.624 208 H CYS 36 H CYS 36 -0.070 -0.812 5.617 209 HA CYS 36 HA CYS 36 -2.479 -1.769 4.109 210 2HB CYS 36 2HB CYS 36 0.133 -3.232 4.609 211 H TYR 37 H TYR 37 -3.757 -3.318 5.167 212 HA TYR 37 HA TYR 37 -3.559 -3.370 8.147 213 2HB TYR 37 2HB TYR 37 -5.825 -2.467 6.329 214 HD1 TYR 37 HD1 TYR 37 -5.113 -1.822 9.945 215 HD2 TYR 37 HD2 TYR 37 -7.766 -3.649 7.073 216 HE1 TYR 37 HE1 TYR 37 -6.814 -2.135 11.713 217 HE2 TYR 37 HE2 TYR 37 -9.465 -3.960 8.847 218 HH TYR 37 HH TYR 37 -8.947 -2.872 12.212 Start of MODEL 20 1 1H PHE 1 1H PHE 1 1.923 -6.200 8.774 2 HA PHE 1 HA PHE 1 0.044 -4.943 7.101 3 2HB PHE 1 2HB PHE 1 -1.391 -3.902 8.810 4 HD1 PHE 1 HD1 PHE 1 -1.635 -6.494 6.968 5 HD2 PHE 1 HD2 PHE 1 -2.493 -5.630 11.114 6 HE1 PHE 1 HE1 PHE 1 -3.401 -8.220 6.975 7 HE2 PHE 1 HE2 PHE 1 -4.255 -7.366 11.103 8 HZ PHE 1 HZ PHE 1 -4.719 -8.660 9.035 9 H GLY 2 H GLY 2 0.063 -2.481 7.748 10 1HA GLY 2 1HA GLY 2 0.981 -0.772 9.009 11 2HA GLY 2 2HA GLY 2 2.476 -1.688 9.332 12 H LEU 3 H LEU 3 3.923 -0.130 8.479 13 HA LEU 3 HA LEU 3 2.973 1.260 6.138 14 2HB LEU 3 2HB LEU 3 3.184 2.558 8.240 15 HG LEU 3 HG LEU 3 6.205 2.076 7.795 16 1HD1 LEU 3 1HD1 LEU 3 4.779 4.321 9.363 17 2HD1 LEU 3 2HD1 LEU 3 6.526 3.999 9.347 18 3HD1 LEU 3 3HD1 LEU 3 5.715 4.511 7.864 19 1HD2 LEU 3 1HD2 LEU 3 5.353 0.568 9.488 20 2HD2 LEU 3 2HD2 LEU 3 6.108 1.898 10.353 21 3HD2 LEU 3 3HD2 LEU 3 4.339 1.830 10.244 22 H ILE 4 H ILE 4 3.930 1.653 4.153 23 HA ILE 4 HA ILE 4 6.586 0.527 3.781 24 HB ILE 4 HB ILE 4 5.513 -0.811 2.232 25 2HG1 ILE 4 2HG1 ILE 4 4.113 1.598 1.366 26 1HG2 ILE 4 1HG2 ILE 4 4.273 -1.373 4.312 27 2HG2 ILE 4 2HG2 ILE 4 2.998 -0.197 3.923 28 3HG2 ILE 4 3HG2 ILE 4 3.282 -1.608 2.877 29 1HD1 ILE 4 1HD1 ILE 4 3.978 0.358 -0.676 30 2HD1 ILE 4 2HD1 ILE 4 5.605 0.161 0.040 31 3HD1 ILE 4 3HD1 ILE 4 4.404 -1.155 0.170 32 H ASP 5 H ASP 5 7.586 1.712 1.848 33 HA ASP 5 HA ASP 5 6.401 4.424 1.375 34 2HB ASP 5 2HB ASP 5 8.739 5.232 1.747 35 H VAL 6 H VAL 6 5.978 2.442 -0.318 36 HA VAL 6 HA VAL 6 7.878 2.960 -2.583 37 HB VAL 6 HB VAL 6 5.645 0.917 -2.320 38 1HG1 VAL 6 1HG1 VAL 6 6.542 0.023 -4.460 39 2HG1 VAL 6 2HG1 VAL 6 5.836 1.630 -4.661 40 3HG1 VAL 6 3HG1 VAL 6 7.605 1.436 -4.597 41 1HG2 VAL 6 1HG2 VAL 6 8.687 0.607 -2.448 42 2HG2 VAL 6 2HG2 VAL 6 7.709 0.382 -0.989 43 3HG2 VAL 6 3HG2 VAL 6 7.505 -0.714 -2.361 44 H LYS 7 H LYS 7 7.248 4.188 -4.267 45 HA LYS 7 HA LYS 7 5.393 6.146 -3.933 46 2HB LYS 7 2HB LYS 7 7.144 6.573 -5.378 47 2HG LYS 7 2HG LYS 7 6.969 5.755 -7.794 48 2HD LYS 7 2HD LYS 7 8.078 3.607 -5.946 49 2HE LYS 7 2HE LYS 7 9.903 3.589 -7.604 50 1HZ LYS 7 1HZ LYS 7 7.279 3.336 -8.922 51 2HZ LYS 7 2HZ LYS 7 8.693 2.692 -9.454 52 3HZ LYS 7 3HZ LYS 7 8.026 2.155 -8.051 53 H CYS 8 H CYS 8 3.296 5.939 -3.519 54 HA CYS 8 HA CYS 8 1.479 4.121 -4.890 55 2HB CYS 8 2HB CYS 8 1.126 5.202 -2.787 56 H PHE 9 H PHE 9 0.697 4.344 -6.909 57 HA PHE 9 HA PHE 9 0.422 6.990 -8.238 58 2HB PHE 9 2HB PHE 9 -1.269 5.144 -9.489 59 HD1 PHE 9 HD1 PHE 9 -1.173 6.824 -11.199 60 HD2 PHE 9 HD2 PHE 9 2.441 4.892 -9.852 61 HE1 PHE 9 HE1 PHE 9 0.067 7.825 -13.092 62 HE2 PHE 9 HE2 PHE 9 3.680 5.904 -11.755 63 HZ PHE 9 HZ PHE 9 2.494 7.370 -13.375 64 H ALA 10 H ALA 10 -1.283 4.673 -6.129 65 HA ALA 10 HA ALA 10 -3.270 6.529 -5.333 66 1HB ALA 10 1HB ALA 10 -4.137 4.355 -7.310 67 2HB ALA 10 2HB ALA 10 -5.242 5.344 -6.331 68 3HB ALA 10 3HB ALA 10 -4.253 6.108 -7.583 69 H SER 11 H SER 11 -4.607 5.558 -3.687 70 HA SER 11 HA SER 11 -3.543 3.673 -2.014 71 2HB SER 11 2HB SER 11 -6.005 3.435 -1.226 72 HG SER 11 HG SER 11 -6.101 5.808 -0.891 73 H SER 12 H SER 12 -5.928 2.941 -4.667 74 HA SER 12 HA SER 12 -6.120 0.263 -3.978 75 2HB SER 12 2HB SER 12 -7.317 -0.011 -5.984 76 HG SER 12 HG SER 12 -8.301 1.479 -4.604 77 H GLU 13 H GLU 13 -3.300 1.765 -5.289 78 HA GLU 13 HA GLU 13 -2.317 -0.658 -6.587 79 2HB GLU 13 2HB GLU 13 -0.554 1.255 -5.243 80 2HG GLU 13 2HG GLU 13 0.811 1.009 -7.354 81 H CYS 14 H CYS 14 -2.018 1.000 -3.349 82 HA CYS 14 HA CYS 14 -0.079 -0.485 -2.087 83 2HB CYS 14 2HB CYS 14 -1.070 0.298 -0.090 84 H TRP 15 H TRP 15 -3.286 -1.139 -2.975 85 HA TRP 15 HA TRP 15 -3.902 -3.349 -1.114 86 2HB TRP 15 2HB TRP 15 -5.705 -3.860 -2.759 87 HD1 TRP 15 HD1 TRP 15 -4.846 -1.152 -0.555 88 HE1 TRP 15 HE1 TRP 15 -6.788 0.399 -0.039 89 HE3 TRP 15 HE3 TRP 15 -7.919 -2.508 -4.375 90 HZ2 TRP 15 HZ2 TRP 15 -9.394 1.018 -1.190 91 HZ3 TRP 15 HZ3 TRP 15 -10.129 -1.408 -4.670 92 HH2 TRP 15 HH2 TRP 15 -10.873 0.350 -3.081 93 H THR 16 H THR 16 -3.221 -3.279 -4.691 94 HA THR 16 HA THR 16 -2.457 -5.990 -4.873 95 HB THR 16 HB THR 16 -1.222 -4.824 -6.971 96 HG1 THR 16 HG1 THR 16 -1.580 -2.707 -6.548 97 1HG2 THR 16 1HG2 THR 16 -3.126 -6.383 -7.145 98 2HG2 THR 16 2HG2 THR 16 -4.240 -5.077 -6.640 99 3HG2 THR 16 3HG2 THR 16 -3.371 -4.967 -8.183 100 H ALA 17 H ALA 17 -0.577 -3.139 -3.734 101 HA ALA 17 HA ALA 17 1.984 -4.402 -3.962 102 1HB ALA 17 1HB ALA 17 1.158 -2.360 -1.872 103 2HB ALA 17 2HB ALA 17 2.781 -2.721 -2.452 104 3HB ALA 17 3HB ALA 17 1.617 -1.944 -3.538 105 H CYS 18 H CYS 18 -0.331 -4.218 -1.245 106 HA CYS 18 HA CYS 18 1.224 -5.903 0.447 107 2HB CYS 18 2HB CYS 18 -1.759 -5.930 0.711 108 H LYS 19 H LYS 19 -1.210 -6.549 -2.110 109 HA LYS 19 HA LYS 19 -1.525 -9.276 -1.507 110 2HB LYS 19 2HB LYS 19 -2.306 -9.388 -3.858 111 2HG LYS 19 2HG LYS 19 -3.456 -7.064 -2.552 112 2HD LYS 19 2HD LYS 19 -5.601 -8.266 -3.062 113 2HE LYS 19 2HE LYS 19 -3.835 -8.075 -5.545 114 1HZ LYS 19 1HZ LYS 19 -5.911 -7.750 -6.676 115 2HZ LYS 19 2HZ LYS 19 -5.901 -9.223 -5.952 116 3HZ LYS 19 3HZ LYS 19 -6.768 -7.988 -5.296 117 H LYS 20 H LYS 20 0.495 -7.592 -3.822 118 HA LYS 20 HA LYS 20 1.927 -9.679 -5.056 119 2HB LYS 20 2HB LYS 20 3.799 -7.936 -5.286 120 2HG LYS 20 2HG LYS 20 0.997 -7.477 -6.307 121 2HD LYS 20 2HD LYS 20 3.449 -5.712 -6.839 122 2HE LYS 20 2HE LYS 20 0.623 -5.688 -7.991 123 1HZ LYS 20 1HZ LYS 20 0.953 -3.397 -7.319 124 2HZ LYS 20 2HZ LYS 20 2.496 -3.395 -7.841 125 3HZ LYS 20 3HZ LYS 20 1.245 -3.491 -8.889 126 H VAL 21 H VAL 21 2.809 -7.918 -1.883 127 HA VAL 21 HA VAL 21 5.064 -9.522 -1.463 128 HB VAL 21 HB VAL 21 3.274 -7.611 0.119 129 1HG1 VAL 21 1HG1 VAL 21 5.155 -7.350 1.578 130 2HG1 VAL 21 2HG1 VAL 21 4.538 -9.021 1.560 131 3HG1 VAL 21 3HG1 VAL 21 6.031 -8.634 0.668 132 1HG2 VAL 21 1HG2 VAL 21 4.497 -6.607 -1.914 133 2HG2 VAL 21 2HG2 VAL 21 5.046 -5.962 -0.360 134 3HG2 VAL 21 3HG2 VAL 21 6.003 -7.197 -1.209 135 H THR 22 H THR 22 1.928 -9.217 0.398 136 HA THR 22 HA THR 22 2.631 -11.783 1.605 137 HB THR 22 HB THR 22 1.090 -11.256 3.372 138 HG1 THR 22 HG1 THR 22 -0.200 -9.582 3.362 139 1HG2 THR 22 1HG2 THR 22 3.448 -10.313 3.436 140 2HG2 THR 22 2HG2 THR 22 2.755 -8.764 2.876 141 3HG2 THR 22 3HG2 THR 22 2.256 -9.450 4.427 142 H GLY 23 H GLY 23 -0.086 -10.077 0.119 143 1HA GLY 23 1HA GLY 23 -1.785 -11.511 -1.216 144 2HA GLY 23 2HA GLY 23 -1.816 -12.533 0.219 145 H SER 24 H SER 24 -1.318 -9.786 1.733 146 HA SER 24 HA SER 24 -4.067 -9.835 2.682 147 2HB SER 24 2HB SER 24 -3.208 -8.625 4.557 148 HG SER 24 HG SER 24 -2.376 -10.799 4.305 149 H GLY 25 H GLY 25 -4.693 -8.920 0.461 150 1HA GLY 25 1HA GLY 25 -3.676 -6.640 -0.555 151 2HA GLY 25 2HA GLY 25 -5.219 -7.335 -1.014 152 H GLN 26 H GLN 26 -4.806 -5.631 2.138 153 HA GLN 26 HA GLN 26 -6.872 -3.697 1.245 154 2HB GLN 26 2HB GLN 26 -7.705 -3.834 3.477 155 2HG GLN 26 2HG GLN 26 -7.040 -6.672 2.603 156 1HE2 GLN 26 1HE2 GLN 26 -9.284 -7.974 2.757 157 2HE2 GLN 26 2HE2 GLN 26 -10.060 -7.789 4.321 158 H GLY 27 H GLY 27 -6.288 -1.458 1.612 159 1HA GLY 27 1HA GLY 27 -4.515 -0.605 3.667 160 2HA GLY 27 2HA GLY 27 -3.606 -0.856 2.149 161 H LYS 28 H LYS 28 -3.256 1.554 2.452 162 HA LYS 28 HA LYS 28 -4.744 2.723 0.371 163 2HB LYS 28 2HB LYS 28 -6.363 3.339 2.079 164 2HG LYS 28 2HG LYS 28 -4.706 3.388 4.066 165 2HD LYS 28 2HD LYS 28 -4.375 6.211 2.911 166 2HE LYS 28 2HE LYS 28 -3.177 6.725 5.065 167 1HZ LYS 28 1HZ LYS 28 -5.413 7.522 4.733 168 2HZ LYS 28 2HZ LYS 28 -6.046 6.168 5.427 169 3HZ LYS 28 3HZ LYS 28 -5.130 7.199 6.319 170 H CYS 29 H CYS 29 -3.768 4.843 -0.330 171 HA CYS 29 HA CYS 29 -0.863 4.587 0.159 172 2HB CYS 29 2HB CYS 29 -1.591 4.663 -2.340 173 H GLN 30 H GLN 30 0.308 6.728 0.276 174 HA GLN 30 HA GLN 30 -1.190 8.990 1.444 175 2HB GLN 30 2HB GLN 30 1.250 7.793 2.800 176 2HG GLN 30 2HG GLN 30 -0.940 9.690 3.715 177 1HE2 GLN 30 1HE2 GLN 30 -0.857 10.374 5.964 178 2HE2 GLN 30 2HE2 GLN 30 -0.128 9.324 7.162 179 H ASN 31 H ASN 31 -0.454 10.598 0.048 180 HA ASN 31 HA ASN 31 0.994 12.033 -0.849 181 2HB ASN 31 2HB ASN 31 3.373 10.729 0.575 182 1HD2 ASN 31 1HD2 ASN 31 4.502 12.459 1.878 183 2HD2 ASN 31 2HD2 ASN 31 4.700 13.999 1.049 184 H ASN 32 H ASN 32 3.220 9.318 -0.733 185 HA ASN 32 HA ASN 32 2.720 8.059 -3.118 186 2HB ASN 32 2HB ASN 32 4.970 8.375 -4.312 187 1HD2 ASN 32 1HD2 ASN 32 2.570 8.736 -5.278 188 2HD2 ASN 32 2HD2 ASN 32 2.151 10.442 -5.310 189 H GLN 33 H GLN 33 2.633 7.332 -0.658 190 HA GLN 33 HA GLN 33 4.765 5.389 -0.233 191 2HB GLN 33 2HB GLN 33 4.641 5.904 2.179 192 2HG GLN 33 2HG GLN 33 5.349 8.352 0.527 193 1HE2 GLN 33 1HE2 GLN 33 6.663 7.502 3.683 194 2HE2 GLN 33 2HE2 GLN 33 6.163 9.011 4.454 195 H CYS 34 H CYS 34 3.497 3.709 1.535 196 HA CYS 34 HA CYS 34 0.609 3.869 1.227 197 2HB CYS 34 2HB CYS 34 1.398 1.279 0.306 198 H ARG 35 H ARG 35 -0.526 2.189 2.357 199 HA ARG 35 HA ARG 35 1.048 0.850 4.458 200 2HB ARG 35 2HB ARG 35 -0.717 2.054 6.070 201 2HG ARG 35 2HG ARG 35 1.907 2.598 5.185 202 2HD ARG 35 2HD ARG 35 1.525 5.063 6.493 203 HE ARG 35 HE ARG 35 2.853 3.942 4.085 204 1HH1 ARG 35 1HH1 ARG 35 2.516 7.072 5.662 205 2HH1 ARG 35 2HH1 ARG 35 4.235 7.399 5.659 206 1HH2 ARG 35 1HH2 ARG 35 5.097 4.297 4.185 207 2HH2 ARG 35 2HH2 ARG 35 5.768 5.798 4.598 208 H CYS 36 H CYS 36 0.055 -0.858 5.446 209 HA CYS 36 HA CYS 36 -2.325 -1.841 3.903 210 2HB CYS 36 2HB CYS 36 0.223 -3.325 4.622 211 H TYR 37 H TYR 37 -3.683 -3.318 4.953 212 HA TYR 37 HA TYR 37 -3.589 -3.384 7.936 213 2HB TYR 37 2HB TYR 37 -5.854 -2.507 6.102 214 HD1 TYR 37 HD1 TYR 37 -5.120 -1.833 9.708 215 HD2 TYR 37 HD2 TYR 37 -7.768 -3.735 6.881 216 HE1 TYR 37 HE1 TYR 37 -6.784 -2.187 11.503 217 HE2 TYR 37 HE2 TYR 37 -9.429 -4.087 8.682 218 HH TYR 37 HH TYR 37 -8.884 -2.990 12.040 Start of MODEL 21 1 1H PHE 1 1H PHE 1 -1.341 -0.950 8.254 2 HA PHE 1 HA PHE 1 -0.391 -1.747 10.943 3 2HB PHE 1 2HB PHE 1 -1.567 -3.734 8.977 4 HD1 PHE 1 HD1 PHE 1 -2.915 -2.741 12.264 5 HD2 PHE 1 HD2 PHE 1 -0.426 -5.586 10.179 6 HE1 PHE 1 HE1 PHE 1 -3.058 -4.284 14.199 7 HE2 PHE 1 HE2 PHE 1 -0.553 -7.112 12.136 8 HZ PHE 1 HZ PHE 1 -1.875 -6.468 14.138 9 H GLY 2 H GLY 2 -0.344 -2.877 7.653 10 1HA GLY 2 1HA GLY 2 2.510 -3.185 7.189 11 2HA GLY 2 2HA GLY 2 1.234 -3.018 6.023 12 H LEU 3 H LEU 3 4.003 -1.512 6.774 13 HA LEU 3 HA LEU 3 2.902 0.765 5.491 14 2HB LEU 3 2HB LEU 3 2.766 1.566 7.838 15 HG LEU 3 HG LEU 3 5.791 0.981 7.814 16 1HD1 LEU 3 1HD1 LEU 3 5.893 2.395 9.874 17 2HD1 LEU 3 2HD1 LEU 3 5.399 3.346 8.465 18 3HD1 LEU 3 3HD1 LEU 3 4.189 2.857 9.673 19 1HD2 LEU 3 1HD2 LEU 3 5.240 0.110 10.153 20 2HD2 LEU 3 2HD2 LEU 3 3.512 0.333 9.815 21 3HD2 LEU 3 3HD2 LEU 3 4.477 -0.827 8.876 22 H ILE 4 H ILE 4 4.085 1.473 3.828 23 HA ILE 4 HA ILE 4 6.784 0.390 3.509 24 HB ILE 4 HB ILE 4 5.965 -0.788 1.638 25 2HG1 ILE 4 2HG1 ILE 4 4.231 1.354 1.057 26 1HG2 ILE 4 1HG2 ILE 4 4.027 -2.115 2.286 27 2HG2 ILE 4 2HG2 ILE 4 5.036 -1.842 3.713 28 3HG2 ILE 4 3HG2 ILE 4 3.528 -0.902 3.478 29 1HD1 ILE 4 1HD1 ILE 4 4.297 -1.444 -0.083 30 2HD1 ILE 4 2HD1 ILE 4 3.702 0.036 -0.885 31 3HD1 ILE 4 3HD1 ILE 4 5.437 -0.139 -0.494 32 H ASP 5 H ASP 5 7.776 1.456 1.606 33 HA ASP 5 HA ASP 5 6.846 4.292 1.273 34 2HB ASP 5 2HB ASP 5 9.413 4.655 1.075 35 H VAL 6 H VAL 6 6.088 2.096 -0.456 36 HA VAL 6 HA VAL 6 7.642 2.673 -2.917 37 HB VAL 6 HB VAL 6 5.238 0.883 -2.521 38 1HG1 VAL 6 1HG1 VAL 6 5.226 1.772 -4.801 39 2HG1 VAL 6 2HG1 VAL 6 6.962 1.420 -4.977 40 3HG1 VAL 6 3HG1 VAL 6 5.791 0.096 -4.821 41 1HG2 VAL 6 1HG2 VAL 6 8.189 0.276 -3.105 42 2HG2 VAL 6 2HG2 VAL 6 7.443 0.066 -1.516 43 3HG2 VAL 6 3HG2 VAL 6 6.898 -0.919 -2.884 44 H LYS 7 H LYS 7 7.053 4.092 -4.342 45 HA LYS 7 HA LYS 7 5.442 6.271 -3.647 46 2HB LYS 7 2HB LYS 7 5.980 7.031 -5.996 47 2HG LYS 7 2HG LYS 7 7.841 6.332 -3.801 48 2HD LYS 7 2HD LYS 7 9.080 5.213 -5.521 49 2HE LYS 7 2HE LYS 7 8.341 6.174 -7.622 50 1HZ LYS 7 1HZ LYS 7 8.909 8.417 -8.201 51 2HZ LYS 7 2HZ LYS 7 7.899 8.402 -6.906 52 3HZ LYS 7 3HZ LYS 7 9.506 8.716 -6.697 53 H CYS 8 H CYS 8 3.350 5.742 -3.271 54 HA CYS 8 HA CYS 8 1.498 4.360 -4.978 55 2HB CYS 8 2HB CYS 8 1.098 5.064 -2.780 56 H PHE 9 H PHE 9 0.752 4.902 -6.910 57 HA PHE 9 HA PHE 9 0.358 7.694 -7.845 58 2HB PHE 9 2HB PHE 9 -0.598 6.538 -9.825 59 HD1 PHE 9 HD1 PHE 9 1.156 7.830 -10.922 60 HD2 PHE 9 HD2 PHE 9 2.167 4.274 -8.689 61 HE1 PHE 9 HE1 PHE 9 3.456 7.893 -11.843 62 HE2 PHE 9 HE2 PHE 9 4.461 4.370 -9.568 63 HZ PHE 9 HZ PHE 9 5.117 6.165 -11.176 64 H ALA 10 H ALA 10 -1.154 4.864 -6.257 65 HA ALA 10 HA ALA 10 -3.461 6.497 -5.539 66 1HB ALA 10 1HB ALA 10 -4.162 5.705 -7.788 67 2HB ALA 10 2HB ALA 10 -3.828 4.030 -7.302 68 3HB ALA 10 3HB ALA 10 -5.133 4.941 -6.518 69 H SER 11 H SER 11 -4.926 5.288 -4.009 70 HA SER 11 HA SER 11 -3.538 3.682 -2.046 71 2HB SER 11 2HB SER 11 -5.428 4.992 -1.303 72 HG SER 11 HG SER 11 -7.364 5.048 -2.533 73 H SER 12 H SER 12 -5.853 2.945 -4.705 74 HA SER 12 HA SER 12 -6.246 0.284 -4.010 75 2HB SER 12 2HB SER 12 -7.699 1.183 -5.611 76 HG SER 12 HG SER 12 -5.577 1.915 -7.329 77 H GLU 13 H GLU 13 -3.538 1.788 -5.642 78 HA GLU 13 HA GLU 13 -2.131 -0.383 -6.719 79 2HB GLU 13 2HB GLU 13 -0.994 1.758 -4.974 80 2HG GLU 13 2HG GLU 13 -0.067 0.525 -7.627 81 H CYS 14 H CYS 14 -2.219 0.891 -3.326 82 HA CYS 14 HA CYS 14 -0.163 -0.583 -2.161 83 2HB CYS 14 2HB CYS 14 -1.194 0.086 -0.126 84 H TRP 15 H TRP 15 -3.433 -1.211 -3.084 85 HA TRP 15 HA TRP 15 -3.902 -3.468 -1.242 86 2HB TRP 15 2HB TRP 15 -5.758 -4.064 -2.669 87 HD1 TRP 15 HD1 TRP 15 -4.901 -1.159 -0.793 88 HE1 TRP 15 HE1 TRP 15 -6.895 0.325 -0.259 89 HE3 TRP 15 HE3 TRP 15 -8.185 -3.071 -4.192 90 HZ2 TRP 15 HZ2 TRP 15 -9.623 0.676 -1.241 91 HZ3 TRP 15 HZ3 TRP 15 -10.477 -2.136 -4.389 92 HH2 TRP 15 HH2 TRP 15 -11.205 -0.272 -2.918 93 H THR 16 H THR 16 -3.347 -3.335 -4.817 94 HA THR 16 HA THR 16 -2.564 -6.030 -5.154 95 HB THR 16 HB THR 16 -1.223 -4.697 -7.117 96 HG1 THR 16 HG1 THR 16 -1.768 -2.649 -6.152 97 1HG2 THR 16 1HG2 THR 16 -3.328 -4.778 -8.425 98 2HG2 THR 16 2HG2 THR 16 -3.105 -6.262 -7.481 99 3HG2 THR 16 3HG2 THR 16 -4.253 -5.013 -6.929 100 H ALA 17 H ALA 17 -0.642 -3.184 -3.995 101 HA ALA 17 HA ALA 17 1.845 -4.513 -4.342 102 1HB ALA 17 1HB ALA 17 1.172 -2.398 -2.238 103 2HB ALA 17 2HB ALA 17 2.773 -2.801 -2.867 104 3HB ALA 17 3HB ALA 17 1.581 -2.035 -3.929 105 H CYS 18 H CYS 18 -0.160 -4.184 -1.384 106 HA CYS 18 HA CYS 18 1.462 -5.815 0.237 107 2HB CYS 18 2HB CYS 18 -1.457 -6.043 0.714 108 H LYS 19 H LYS 19 -1.149 -6.566 -2.058 109 HA LYS 19 HA LYS 19 -1.380 -9.274 -1.416 110 2HB LYS 19 2HB LYS 19 -2.333 -9.291 -3.844 111 2HG LYS 19 2HG LYS 19 -3.653 -7.264 -2.396 112 2HD LYS 19 2HD LYS 19 -5.353 -9.264 -1.994 113 2HE LYS 19 2HE LYS 19 -5.783 -7.618 -3.783 114 1HZ LYS 19 1HZ LYS 19 -5.214 -8.239 -6.022 115 2HZ LYS 19 2HZ LYS 19 -3.839 -8.034 -5.135 116 3HZ LYS 19 3HZ LYS 19 -4.367 -9.552 -5.502 117 H LYS 20 H LYS 20 0.532 -7.675 -3.898 118 HA LYS 20 HA LYS 20 1.746 -9.910 -5.120 119 2HB LYS 20 2HB LYS 20 3.750 -8.314 -5.497 120 2HG LYS 20 2HG LYS 20 2.510 -6.758 -6.975 121 2HD LYS 20 2HD LYS 20 1.507 -9.611 -7.313 122 2HE LYS 20 2HE LYS 20 2.381 -7.463 -9.315 123 1HZ LYS 20 1HZ LYS 20 1.492 -8.959 -10.934 124 2HZ LYS 20 2HZ LYS 20 2.702 -9.709 -10.113 125 3HZ LYS 20 3HZ LYS 20 1.130 -10.088 -9.797 126 H VAL 21 H VAL 21 3.087 -8.055 -2.278 127 HA VAL 21 HA VAL 21 5.156 -10.000 -1.909 128 HB VAL 21 HB VAL 21 4.725 -8.825 0.568 129 1HG1 VAL 21 1HG1 VAL 21 6.896 -9.091 -0.642 130 2HG1 VAL 21 2HG1 VAL 21 6.377 -7.830 -1.791 131 3HG1 VAL 21 3HG1 VAL 21 6.701 -7.416 -0.090 132 1HG2 VAL 21 1HG2 VAL 21 3.049 -7.278 -0.319 133 2HG2 VAL 21 2HG2 VAL 21 4.479 -6.477 0.333 134 3HG2 VAL 21 3HG2 VAL 21 4.286 -6.600 -1.419 135 H THR 22 H THR 22 2.178 -9.417 0.111 136 HA THR 22 HA THR 22 2.825 -11.920 1.519 137 HB THR 22 HB THR 22 1.902 -9.097 2.134 138 HG1 THR 22 HG1 THR 22 3.616 -9.359 3.631 139 1HG2 THR 22 1HG2 THR 22 0.300 -10.346 3.248 140 2HG2 THR 22 2HG2 THR 22 1.503 -11.498 3.904 141 3HG2 THR 22 3HG2 THR 22 1.482 -9.793 4.451 142 H GLY 23 H GLY 23 0.229 -10.045 0.022 143 1HA GLY 23 1HA GLY 23 -1.671 -11.378 -0.935 144 2HA GLY 23 2HA GLY 23 -1.679 -12.349 0.516 145 H SER 24 H SER 24 -1.142 -9.464 1.847 146 HA SER 24 HA SER 24 -3.887 -9.549 2.896 147 2HB SER 24 2HB SER 24 -1.556 -7.817 3.804 148 HG SER 24 HG SER 24 -3.844 -8.781 5.201 149 H GLY 25 H GLY 25 -4.613 -8.797 0.682 150 1HA GLY 25 1HA GLY 25 -3.693 -6.496 -0.502 151 2HA GLY 25 2HA GLY 25 -5.202 -7.288 -0.886 152 H GLN 26 H GLN 26 -4.820 -5.556 2.215 153 HA GLN 26 HA GLN 26 -7.024 -3.746 1.390 154 2HB GLN 26 2HB GLN 26 -7.813 -3.986 3.643 155 2HG GLN 26 2HG GLN 26 -7.022 -6.757 2.671 156 1HE2 GLN 26 1HE2 GLN 26 -10.377 -5.889 2.874 157 2HE2 GLN 26 2HE2 GLN 26 -10.679 -6.705 4.398 158 H GLY 27 H GLY 27 -6.384 -1.515 1.566 159 1HA GLY 27 1HA GLY 27 -4.650 -0.545 3.617 160 2HA GLY 27 2HA GLY 27 -3.730 -0.863 2.123 161 H LYS 28 H LYS 28 -3.467 1.586 2.552 162 HA LYS 28 HA LYS 28 -4.856 2.834 0.361 163 2HB LYS 28 2HB LYS 28 -5.214 4.990 1.646 164 2HG LYS 28 2HG LYS 28 -7.097 3.129 1.211 165 2HD LYS 28 2HD LYS 28 -7.277 3.746 4.212 166 2HE LYS 28 2HE LYS 28 -9.045 1.992 4.174 167 1HZ LYS 28 1HZ LYS 28 -9.755 4.258 3.765 168 2HZ LYS 28 2HZ LYS 28 -9.584 4.054 2.139 169 3HZ LYS 28 3HZ LYS 28 -10.706 3.184 2.965 170 H CYS 29 H CYS 29 -3.691 4.806 -0.286 171 HA CYS 29 HA CYS 29 -0.808 4.403 0.230 172 2HB CYS 29 2HB CYS 29 -1.468 4.584 -2.267 173 H GLN 30 H GLN 30 0.431 6.303 0.820 174 HA GLN 30 HA GLN 30 -1.083 8.586 2.042 175 2HB GLN 30 2HB GLN 30 1.479 7.314 3.061 176 2HG GLN 30 2HG GLN 30 1.088 9.693 3.698 177 1HE2 GLN 30 1HE2 GLN 30 -0.143 11.281 4.888 178 2HE2 GLN 30 2HE2 GLN 30 -1.812 10.971 5.332 179 H ASN 31 H ASN 31 -0.541 10.242 0.572 180 HA ASN 31 HA ASN 31 0.751 11.709 -0.585 181 2HB ASN 31 2HB ASN 31 3.200 11.888 0.200 182 1HD2 ASN 31 1HD2 ASN 31 2.984 11.759 3.279 183 2HD2 ASN 31 2HD2 ASN 31 1.945 13.130 3.625 184 H ASN 32 H ASN 32 3.331 9.411 -0.289 185 HA ASN 32 HA ASN 32 2.802 7.943 -2.638 186 2HB ASN 32 2HB ASN 32 4.729 8.322 -4.036 187 1HD2 ASN 32 1HD2 ASN 32 2.725 9.058 -5.059 188 2HD2 ASN 32 2HD2 ASN 32 2.372 10.767 -4.853 189 H GLN 33 H GLN 33 2.759 7.194 -0.212 190 HA GLN 33 HA GLN 33 4.867 5.169 -0.022 191 2HB GLN 33 2HB GLN 33 4.476 5.299 2.509 192 2HG GLN 33 2HG GLN 33 5.426 7.996 1.492 193 1HE2 GLN 33 1HE2 GLN 33 7.600 6.983 3.673 194 2HE2 GLN 33 2HE2 GLN 33 6.913 7.669 5.133 195 H CYS 34 H CYS 34 3.539 3.354 1.575 196 HA CYS 34 HA CYS 34 0.660 3.567 1.195 197 2HB CYS 34 2HB CYS 34 1.442 0.991 0.233 198 H ARG 35 H ARG 35 -0.576 2.185 2.438 199 HA ARG 35 HA ARG 35 0.959 0.693 4.457 200 2HB ARG 35 2HB ARG 35 -0.294 1.851 6.295 201 2HG ARG 35 2HG ARG 35 1.117 3.717 4.441 202 2HD ARG 35 2HD ARG 35 1.475 3.657 7.426 203 HE ARG 35 HE ARG 35 1.988 5.501 5.172 204 1HH1 ARG 35 1HH1 ARG 35 2.006 5.190 8.678 205 2HH1 ARG 35 2HH1 ARG 35 3.233 6.378 8.967 206 1HH2 ARG 35 1HH2 ARG 35 3.745 7.128 5.520 207 2HH2 ARG 35 2HH2 ARG 35 4.162 7.533 7.140 208 H CYS 36 H CYS 36 -0.034 -0.930 5.367 209 HA CYS 36 HA CYS 36 -2.497 -1.834 3.866 210 2HB CYS 36 2HB CYS 36 0.258 -3.017 4.085 211 H TYR 37 H TYR 37 -3.527 -3.790 4.847 212 HA TYR 37 HA TYR 37 -3.470 -3.784 7.794 213 2HB TYR 37 2HB TYR 37 -5.091 -5.423 5.840 214 HD1 TYR 37 HD1 TYR 37 -6.359 -7.176 6.741 215 HD2 TYR 37 HD2 TYR 37 -5.086 -3.987 9.360 216 HE1 TYR 37 HE1 TYR 37 -7.367 -8.341 8.659 217 HE2 TYR 37 HE2 TYR 37 -6.002 -5.214 11.292 218 HH TYR 37 HH TYR 37 -7.694 -8.343 10.954 Start of MODEL 22 1 1H PHE 1 1H PHE 1 2.347 -5.642 9.818 2 HA PHE 1 HA PHE 1 0.793 -5.056 7.567 3 2HB PHE 1 2HB PHE 1 -1.135 -3.980 8.660 4 HD1 PHE 1 HD1 PHE 1 -1.792 -6.229 11.186 5 HD2 PHE 1 HD2 PHE 1 -1.386 -6.071 6.893 6 HE1 PHE 1 HE1 PHE 1 -3.366 -8.124 10.969 7 HE2 PHE 1 HE2 PHE 1 -2.976 -7.960 6.683 8 HZ PHE 1 HZ PHE 1 -3.967 -8.993 8.718 9 H GLY 2 H GLY 2 0.271 -2.521 7.719 10 1HA GLY 2 1HA GLY 2 0.608 -0.581 9.020 11 2HA GLY 2 2HA GLY 2 2.255 -1.090 9.465 12 H LEU 3 H LEU 3 3.696 0.212 8.350 13 HA LEU 3 HA LEU 3 2.736 1.489 5.849 14 2HB LEU 3 2HB LEU 3 2.806 3.058 7.758 15 HG LEU 3 HG LEU 3 5.710 2.107 8.014 16 1HD1 LEU 3 1HD1 LEU 3 6.280 4.311 9.003 17 2HD1 LEU 3 2HD1 LEU 3 5.886 4.460 7.285 18 3HD1 LEU 3 3HD1 LEU 3 4.711 4.982 8.513 19 1HD2 LEU 3 1HD2 LEU 3 5.243 2.606 10.405 20 2HD2 LEU 3 2HD2 LEU 3 3.634 3.237 10.021 21 3HD2 LEU 3 3HD2 LEU 3 4.000 1.517 9.789 22 H ILE 4 H ILE 4 3.960 1.844 4.086 23 HA ILE 4 HA ILE 4 6.513 0.379 3.976 24 HB ILE 4 HB ILE 4 5.569 -0.731 2.151 25 2HG1 ILE 4 2HG1 ILE 4 4.296 1.749 1.396 26 1HG2 ILE 4 1HG2 ILE 4 3.378 -1.598 2.727 27 2HG2 ILE 4 2HG2 ILE 4 4.320 -1.390 4.209 28 3HG2 ILE 4 3HG2 ILE 4 3.026 -0.236 3.807 29 1HD1 ILE 4 1HD1 ILE 4 5.619 0.228 -0.008 30 2HD1 ILE 4 2HD1 ILE 4 4.328 -0.996 0.127 31 3HD1 ILE 4 3HD1 ILE 4 3.995 0.562 -0.668 32 H ASP 5 H ASP 5 7.669 1.177 1.837 33 HA ASP 5 HA ASP 5 6.754 3.870 1.025 34 2HB ASP 5 2HB ASP 5 9.680 3.405 1.624 35 H VAL 6 H VAL 6 5.815 2.741 -0.533 36 HA VAL 6 HA VAL 6 7.621 2.698 -2.890 37 HB VAL 6 HB VAL 6 5.266 0.801 -2.556 38 1HG1 VAL 6 1HG1 VAL 6 5.289 1.663 -4.850 39 2HG1 VAL 6 2HG1 VAL 6 7.037 1.360 -4.971 40 3HG1 VAL 6 3HG1 VAL 6 5.900 0.008 -4.830 41 1HG2 VAL 6 1HG2 VAL 6 6.993 -0.947 -2.902 42 2HG2 VAL 6 2HG2 VAL 6 8.251 0.299 -2.986 43 3HG2 VAL 6 3HG2 VAL 6 7.385 0.013 -1.472 44 H LYS 7 H LYS 7 6.884 3.954 -4.546 45 HA LYS 7 HA LYS 7 5.314 6.158 -3.700 46 2HB LYS 7 2HB LYS 7 5.631 6.786 -6.201 47 2HG LYS 7 2HG LYS 7 6.911 7.836 -4.307 48 2HD LYS 7 2HD LYS 7 9.441 7.332 -4.612 49 2HE LYS 7 2HE LYS 7 9.710 5.804 -2.804 50 1HZ LYS 7 1HZ LYS 7 7.217 7.230 -2.135 51 2HZ LYS 7 2HZ LYS 7 8.389 6.647 -1.165 52 3HZ LYS 7 3HZ LYS 7 8.726 7.939 -2.128 53 H CYS 8 H CYS 8 3.153 6.023 -3.429 54 HA CYS 8 HA CYS 8 1.378 4.416 -5.037 55 2HB CYS 8 2HB CYS 8 0.920 5.132 -2.907 56 H PHE 9 H PHE 9 0.795 4.807 -7.048 57 HA PHE 9 HA PHE 9 0.262 7.492 -8.172 58 2HB PHE 9 2HB PHE 9 -0.907 6.099 -9.906 59 HD1 PHE 9 HD1 PHE 9 2.157 4.202 -8.822 60 HD2 PHE 9 HD2 PHE 9 0.538 7.217 -11.460 61 HE1 PHE 9 HE1 PHE 9 4.299 4.296 -10.033 62 HE2 PHE 9 HE2 PHE 9 2.677 7.267 -12.706 63 HZ PHE 9 HZ PHE 9 4.570 5.819 -11.990 64 H ALA 10 H ALA 10 -1.238 4.709 -6.416 65 HA ALA 10 HA ALA 10 -3.442 6.426 -5.565 66 1HB ALA 10 1HB ALA 10 -4.001 4.082 -7.442 67 2HB ALA 10 2HB ALA 10 -5.230 5.036 -6.586 68 3HB ALA 10 3HB ALA 10 -4.234 5.800 -7.836 69 H SER 11 H SER 11 -4.760 5.458 -3.954 70 HA SER 11 HA SER 11 -3.609 3.644 -2.104 71 2HB SER 11 2HB SER 11 -6.064 3.365 -1.391 72 HG SER 11 HG SER 11 -5.124 6.033 -1.811 73 H SER 12 H SER 12 -5.726 2.908 -4.944 74 HA SER 12 HA SER 12 -6.223 0.248 -4.199 75 2HB SER 12 2HB SER 12 -7.682 0.983 -5.815 76 HG SER 12 HG SER 12 -6.958 2.429 -7.507 77 H GLU 13 H GLU 13 -3.330 1.742 -5.397 78 HA GLU 13 HA GLU 13 -2.106 -0.540 -6.669 79 2HB GLU 13 2HB GLU 13 -0.914 1.704 -5.114 80 2HG GLU 13 2HG GLU 13 0.018 0.321 -7.684 81 H CYS 14 H CYS 14 -2.105 0.919 -3.382 82 HA CYS 14 HA CYS 14 -0.069 -0.476 -2.099 83 2HB CYS 14 2HB CYS 14 -1.139 0.293 -0.126 84 H TRP 15 H TRP 15 -3.285 -1.179 -3.077 85 HA TRP 15 HA TRP 15 -3.823 -3.391 -1.217 86 2HB TRP 15 2HB TRP 15 -5.615 -4.006 -2.769 87 HD1 TRP 15 HD1 TRP 15 -4.810 -1.085 -0.812 88 HE1 TRP 15 HE1 TRP 15 -6.850 0.330 -0.285 89 HE3 TRP 15 HE3 TRP 15 -7.981 -3.051 -4.266 90 HZ2 TRP 15 HZ2 TRP 15 -9.566 0.639 -1.322 91 HZ3 TRP 15 HZ3 TRP 15 -10.293 -2.162 -4.512 92 HH2 TRP 15 HH2 TRP 15 -11.091 -0.325 -3.043 93 H THR 16 H THR 16 -3.189 -3.411 -4.798 94 HA THR 16 HA THR 16 -2.424 -6.138 -4.931 95 HB THR 16 HB THR 16 -1.237 -4.999 -7.086 96 HG1 THR 16 HG1 THR 16 -2.333 -3.074 -7.567 97 1HG2 THR 16 1HG2 THR 16 -3.176 -6.535 -7.171 98 2HG2 THR 16 2HG2 THR 16 -4.256 -5.214 -6.657 99 3HG2 THR 16 3HG2 THR 16 -3.439 -5.142 -8.231 100 H ALA 17 H ALA 17 -0.576 -3.223 -3.924 101 HA ALA 17 HA ALA 17 1.971 -4.504 -4.150 102 1HB ALA 17 1HB ALA 17 2.796 -2.763 -2.661 103 2HB ALA 17 2HB ALA 17 1.649 -2.027 -3.791 104 3HB ALA 17 3HB ALA 17 1.166 -2.366 -2.117 105 H CYS 18 H CYS 18 -0.241 -4.171 -1.356 106 HA CYS 18 HA CYS 18 1.209 -5.700 0.494 107 2HB CYS 18 2HB CYS 18 -1.807 -5.785 0.459 108 H LYS 19 H LYS 19 -1.112 -6.585 -2.052 109 HA LYS 19 HA LYS 19 -1.378 -9.278 -1.368 110 2HB LYS 19 2HB LYS 19 -2.115 -9.472 -3.753 111 2HG LYS 19 2HG LYS 19 -3.356 -7.155 -2.583 112 2HD LYS 19 2HD LYS 19 -5.440 -8.597 -2.949 113 2HE LYS 19 2HE LYS 19 -3.719 -8.427 -5.468 114 1HZ LYS 19 1HZ LYS 19 -5.836 -8.381 -6.575 115 2HZ LYS 19 2HZ LYS 19 -5.681 -9.783 -5.736 116 3HZ LYS 19 3HZ LYS 19 -6.646 -8.581 -5.161 117 H LYS 20 H LYS 20 0.619 -7.639 -3.807 118 HA LYS 20 HA LYS 20 2.012 -9.824 -4.774 119 2HB LYS 20 2HB LYS 20 3.940 -8.002 -5.170 120 2HG LYS 20 2HG LYS 20 2.737 -7.079 -7.071 121 2HD LYS 20 2HD LYS 20 2.184 -9.003 -8.303 122 2HE LYS 20 2HE LYS 20 4.625 -8.894 -7.297 123 1HZ LYS 20 1HZ LYS 20 4.182 -10.267 -5.270 124 2HZ LYS 20 2HZ LYS 20 3.650 -11.481 -6.221 125 3HZ LYS 20 3HZ LYS 20 5.211 -11.000 -6.297 126 H VAL 21 H VAL 21 3.040 -7.855 -1.900 127 HA VAL 21 HA VAL 21 5.225 -9.625 -1.397 128 HB VAL 21 HB VAL 21 4.231 -8.655 1.087 129 1HG1 VAL 21 1HG1 VAL 21 6.320 -7.224 0.870 130 2HG1 VAL 21 2HG1 VAL 21 6.626 -8.881 0.291 131 3HG1 VAL 21 3HG1 VAL 21 6.286 -7.576 -0.880 132 1HG2 VAL 21 1HG2 VAL 21 2.818 -7.045 -0.031 133 2HG2 VAL 21 2HG2 VAL 21 4.129 -6.262 0.842 134 3HG2 VAL 21 3HG2 VAL 21 4.218 -6.385 -0.923 135 H THR 22 H THR 22 1.927 -9.533 0.056 136 HA THR 22 HA THR 22 2.496 -12.253 1.223 137 HB THR 22 HB THR 22 0.883 -11.585 2.971 138 HG1 THR 22 HG1 THR 22 1.030 -9.021 1.718 139 1HG2 THR 22 1HG2 THR 22 3.212 -9.638 2.780 140 2HG2 THR 22 2HG2 THR 22 2.348 -10.141 4.237 141 3HG2 THR 22 3HG2 THR 22 3.325 -11.319 3.341 142 H GLY 23 H GLY 23 -0.215 -10.179 0.480 143 1HA GLY 23 1HA GLY 23 -1.801 -11.514 -1.341 144 2HA GLY 23 2HA GLY 23 -1.950 -12.575 0.057 145 H SER 24 H SER 24 -1.703 -9.993 1.847 146 HA SER 24 HA SER 24 -4.612 -9.979 2.223 147 2HB SER 24 2HB SER 24 -3.463 -10.331 4.192 148 HG SER 24 HG SER 24 -1.553 -9.170 4.718 149 H GLY 25 H GLY 25 -4.862 -8.887 0.138 150 1HA GLY 25 1HA GLY 25 -3.684 -6.566 -0.639 151 2HA GLY 25 2HA GLY 25 -5.213 -7.164 -1.251 152 H GLN 26 H GLN 26 -4.658 -5.600 1.930 153 HA GLN 26 HA GLN 26 -7.011 -3.865 1.404 154 2HB GLN 26 2HB GLN 26 -7.574 -4.397 3.710 155 2HG GLN 26 2HG GLN 26 -6.740 -6.970 2.275 156 1HE2 GLN 26 1HE2 GLN 26 -9.626 -5.542 3.951 157 2HE2 GLN 26 2HE2 GLN 26 -9.707 -6.863 5.114 158 H GLY 27 H GLY 27 -6.079 -1.765 1.174 159 1HA GLY 27 1HA GLY 27 -4.488 -0.692 3.404 160 2HA GLY 27 2HA GLY 27 -3.614 -1.000 1.878 161 H LYS 28 H LYS 28 -3.245 1.385 2.178 162 HA LYS 28 HA LYS 28 -4.915 2.867 0.368 163 2HB LYS 28 2HB LYS 28 -4.752 3.780 3.296 164 2HG LYS 28 2HG LYS 28 -6.479 4.963 1.070 165 2HD LYS 28 2HD LYS 28 -6.602 6.906 2.624 166 2HE LYS 28 2HE LYS 28 -7.901 6.016 4.503 167 1HZ LYS 28 1HZ LYS 28 -8.409 4.377 2.114 168 2HZ LYS 28 2HZ LYS 28 -9.480 4.698 3.315 169 3HZ LYS 28 3HZ LYS 28 -8.959 5.914 2.339 170 H CYS 29 H CYS 29 -3.818 4.733 -0.386 171 HA CYS 29 HA CYS 29 -0.921 4.502 0.139 172 2HB CYS 29 2HB CYS 29 -1.629 4.681 -2.374 173 H GLN 30 H GLN 30 0.280 6.618 0.441 174 HA GLN 30 HA GLN 30 -1.321 8.898 1.327 175 2HB GLN 30 2HB GLN 30 0.981 7.781 2.980 176 2HG GLN 30 2HG GLN 30 0.833 10.123 3.357 177 1HE2 GLN 30 1HE2 GLN 30 -2.321 9.272 4.871 178 2HE2 GLN 30 2HE2 GLN 30 -3.206 10.538 4.044 179 H ASN 31 H ASN 31 -0.350 10.708 0.508 180 HA ASN 31 HA ASN 31 1.124 12.071 -0.446 181 2HB ASN 31 2HB ASN 31 3.315 10.563 1.094 182 1HD2 ASN 31 1HD2 ASN 31 1.884 13.833 1.321 183 2HD2 ASN 31 2HD2 ASN 31 3.331 14.653 0.761 184 H ASN 32 H ASN 32 3.436 9.462 -0.470 185 HA ASN 32 HA ASN 32 2.706 8.207 -2.808 186 2HB ASN 32 2HB ASN 32 4.688 8.424 -4.260 187 1HD2 ASN 32 1HD2 ASN 32 2.506 9.077 -5.138 188 2HD2 ASN 32 2HD2 ASN 32 2.155 10.790 -4.952 189 H GLN 33 H GLN 33 2.682 7.296 -0.569 190 HA GLN 33 HA GLN 33 4.708 5.225 -0.293 191 2HB GLN 33 2HB GLN 33 4.378 5.568 2.259 192 2HG GLN 33 2HG GLN 33 6.460 6.092 0.873 193 1HE2 GLN 33 1HE2 GLN 33 8.229 7.773 1.223 194 2HE2 GLN 33 2HE2 GLN 33 7.822 9.434 0.721 195 H CYS 34 H CYS 34 3.417 3.632 1.530 196 HA CYS 34 HA CYS 34 0.548 3.874 1.255 197 2HB CYS 34 2HB CYS 34 1.191 1.248 0.384 198 H ARG 35 H ARG 35 -0.616 2.208 2.320 199 HA ARG 35 HA ARG 35 0.910 0.894 4.462 200 2HB ARG 35 2HB ARG 35 -0.895 1.655 6.080 201 2HG ARG 35 2HG ARG 35 0.989 3.681 4.802 202 2HD ARG 35 2HD ARG 35 -1.236 4.189 6.641 203 HE ARG 35 HE ARG 35 0.610 3.775 8.006 204 1HH1 ARG 35 1HH1 ARG 35 0.905 6.795 6.213 205 2HH1 ARG 35 2HH1 ARG 35 1.910 7.611 7.365 206 1HH2 ARG 35 1HH2 ARG 35 1.857 4.920 9.691 207 2HH2 ARG 35 2HH2 ARG 35 2.497 6.498 9.369 208 H CYS 36 H CYS 36 -0.228 -0.840 5.446 209 HA CYS 36 HA CYS 36 -2.598 -1.869 3.973 210 2HB CYS 36 2HB CYS 36 -0.035 -3.438 4.372 211 H TYR 37 H TYR 37 -3.953 -3.021 5.277 212 HA TYR 37 HA TYR 37 -3.662 -1.897 7.909 213 2HB TYR 37 2HB TYR 37 -5.716 -1.916 6.262 214 HD1 TYR 37 HD1 TYR 37 -5.228 -5.039 6.172 215 HD2 TYR 37 HD2 TYR 37 -8.135 -2.510 8.120 216 HE1 TYR 37 HE1 TYR 37 -6.829 -6.922 6.255 217 HE2 TYR 37 HE2 TYR 37 -9.763 -4.360 8.091 218 HH TYR 37 HH TYR 37 -10.117 -6.590 7.600 Start of MODEL 23 1 1H PHE 1 1H PHE 1 -2.245 -0.506 7.543 2 HA PHE 1 HA PHE 1 -1.630 0.200 10.338 3 2HB PHE 1 2HB PHE 1 -2.080 -2.580 9.175 4 HD1 PHE 1 HD1 PHE 1 -0.528 -3.454 11.013 5 HD2 PHE 1 HD2 PHE 1 -4.008 -1.053 11.903 6 HE1 PHE 1 HE1 PHE 1 -0.463 -4.214 13.373 7 HE2 PHE 1 HE2 PHE 1 -3.942 -1.833 14.250 8 HZ PHE 1 HZ PHE 1 -2.174 -3.412 14.992 9 H GLY 2 H GLY 2 -0.509 -1.628 7.619 10 1HA GLY 2 1HA GLY 2 2.115 -2.370 7.991 11 2HA GLY 2 2HA GLY 2 1.431 -1.778 6.512 12 H LEU 3 H LEU 3 4.110 -1.090 6.767 13 HA LEU 3 HA LEU 3 3.404 1.485 5.871 14 2HB LEU 3 2HB LEU 3 3.975 2.311 8.111 15 HG LEU 3 HG LEU 3 6.609 0.848 7.557 16 1HD1 LEU 3 1HD1 LEU 3 7.114 3.242 7.980 17 2HD1 LEU 3 2HD1 LEU 3 6.122 3.237 9.456 18 3HD1 LEU 3 3HD1 LEU 3 7.606 2.266 9.371 19 1HD2 LEU 3 1HD2 LEU 3 5.075 -0.373 9.085 20 2HD2 LEU 3 2HD2 LEU 3 6.388 0.306 10.043 21 3HD2 LEU 3 3HD2 LEU 3 4.796 1.085 10.063 22 H ILE 4 H ILE 4 4.312 1.566 3.857 23 HA ILE 4 HA ILE 4 6.823 0.094 3.402 24 HB ILE 4 HB ILE 4 5.763 -1.044 1.652 25 2HG1 ILE 4 2HG1 ILE 4 4.248 1.250 1.108 26 1HG2 ILE 4 1HG2 ILE 4 4.952 -1.920 3.847 27 2HG2 ILE 4 2HG2 ILE 4 3.505 -0.878 3.726 28 3HG2 ILE 4 3HG2 ILE 4 3.789 -2.168 2.544 29 1HD1 ILE 4 1HD1 ILE 4 3.839 -1.583 0.132 30 2HD1 ILE 4 2HD1 ILE 4 3.388 -0.074 -0.711 31 3HD1 ILE 4 3HD1 ILE 4 5.111 -0.477 -0.453 32 H ASP 5 H ASP 5 7.814 0.865 1.307 33 HA ASP 5 HA ASP 5 7.799 3.804 1.383 34 2HB ASP 5 2HB ASP 5 9.877 2.416 1.673 35 H VAL 6 H VAL 6 6.302 1.384 -0.538 36 HA VAL 6 HA VAL 6 7.383 2.202 -3.029 37 HB VAL 6 HB VAL 6 4.945 0.479 -2.519 38 1HG1 VAL 6 1HG1 VAL 6 5.418 -0.403 -4.799 39 2HG1 VAL 6 2HG1 VAL 6 4.907 1.287 -4.831 40 3HG1 VAL 6 3HG1 VAL 6 6.626 0.876 -5.031 41 1HG2 VAL 6 1HG2 VAL 6 7.114 -0.390 -1.529 42 2HG2 VAL 6 2HG2 VAL 6 6.560 -1.376 -2.886 43 3HG2 VAL 6 3HG2 VAL 6 7.876 -0.207 -3.113 44 H LYS 7 H LYS 7 6.758 3.524 -4.564 45 HA LYS 7 HA LYS 7 5.344 5.840 -3.955 46 2HB LYS 7 2HB LYS 7 5.460 6.255 -6.449 47 2HG LYS 7 2HG LYS 7 7.176 7.060 -4.819 48 2HD LYS 7 2HD LYS 7 8.650 4.563 -5.775 49 2HE LYS 7 2HE LYS 7 9.684 6.975 -4.199 50 1HZ LYS 7 1HZ LYS 7 10.733 4.877 -3.604 51 2HZ LYS 7 2HZ LYS 7 11.132 4.602 -5.179 52 3HZ LYS 7 3HZ LYS 7 11.783 5.879 -4.381 53 H CYS 8 H CYS 8 3.247 5.713 -3.333 54 HA CYS 8 HA CYS 8 1.165 4.320 -4.819 55 2HB CYS 8 2HB CYS 8 1.129 5.191 -2.506 56 H PHE 9 H PHE 9 0.493 4.919 -6.812 57 HA PHE 9 HA PHE 9 0.178 7.825 -7.453 58 2HB PHE 9 2HB PHE 9 -0.922 6.896 -9.524 59 HD1 PHE 9 HD1 PHE 9 0.528 8.630 -10.382 60 HD2 PHE 9 HD2 PHE 9 2.204 4.911 -8.970 61 HE1 PHE 9 HE1 PHE 9 2.704 9.226 -11.394 62 HE2 PHE 9 HE2 PHE 9 4.378 5.513 -9.991 63 HZ PHE 9 HZ PHE 9 4.634 7.667 -11.210 64 H ALA 10 H ALA 10 -1.309 5.103 -5.859 65 HA ALA 10 HA ALA 10 -3.620 6.594 -5.162 66 1HB ALA 10 1HB ALA 10 -5.308 5.133 -6.276 67 2HB ALA 10 2HB ALA 10 -4.371 6.036 -7.472 68 3HB ALA 10 3HB ALA 10 -4.009 4.323 -7.177 69 H SER 11 H SER 11 -4.701 5.557 -3.501 70 HA SER 11 HA SER 11 -3.562 3.600 -1.824 71 2HB SER 11 2HB SER 11 -5.980 3.275 -1.105 72 HG SER 11 HG SER 11 -4.977 5.953 -1.347 73 H SER 12 H SER 12 -5.706 3.130 -4.687 74 HA SER 12 HA SER 12 -6.253 0.435 -4.137 75 2HB SER 12 2HB SER 12 -7.705 1.475 -5.614 76 HG SER 12 HG SER 12 -5.655 2.429 -7.290 77 H GLU 13 H GLU 13 -3.276 1.917 -5.357 78 HA GLU 13 HA GLU 13 -2.367 -0.511 -6.680 79 2HB GLU 13 2HB GLU 13 -0.493 1.249 -5.292 80 2HG GLU 13 2HG GLU 13 0.800 1.113 -7.442 81 H CYS 14 H CYS 14 -1.952 1.029 -3.408 82 HA CYS 14 HA CYS 14 -0.067 -0.508 -2.199 83 2HB CYS 14 2HB CYS 14 -1.063 0.168 -0.164 84 H TRP 15 H TRP 15 -3.268 -1.192 -3.112 85 HA TRP 15 HA TRP 15 -3.795 -3.438 -1.288 86 2HB TRP 15 2HB TRP 15 -5.636 -3.971 -2.883 87 HD1 TRP 15 HD1 TRP 15 -4.770 -1.191 -0.734 88 HE1 TRP 15 HE1 TRP 15 -6.787 0.204 -0.084 89 HE3 TRP 15 HE3 TRP 15 -8.012 -2.933 -4.232 90 HZ2 TRP 15 HZ2 TRP 15 -9.547 0.533 -1.003 91 HZ3 TRP 15 HZ3 TRP 15 -10.349 -2.068 -4.342 92 HH2 TRP 15 HH2 TRP 15 -11.120 -0.346 -2.726 93 H THR 16 H THR 16 -3.239 -3.291 -4.863 94 HA THR 16 HA THR 16 -2.426 -5.971 -5.164 95 HB THR 16 HB THR 16 -1.265 -4.676 -7.241 96 HG1 THR 16 HG1 THR 16 -1.744 -2.603 -6.746 97 1HG2 THR 16 1HG2 THR 16 -4.252 -5.134 -6.838 98 2HG2 THR 16 2HG2 THR 16 -3.434 -4.931 -8.399 99 3HG2 THR 16 3HG2 THR 16 -3.081 -6.352 -7.399 100 H ALA 17 H ALA 17 -0.612 -3.123 -3.942 101 HA ALA 17 HA ALA 17 1.980 -4.300 -4.240 102 1HB ALA 17 1HB ALA 17 2.787 -2.606 -2.810 103 2HB ALA 17 2HB ALA 17 1.536 -1.867 -3.827 104 3HB ALA 17 3HB ALA 17 1.186 -2.300 -2.132 105 H CYS 18 H CYS 18 -0.064 -4.075 -1.284 106 HA CYS 18 HA CYS 18 1.627 -5.789 0.198 107 2HB CYS 18 2HB CYS 18 -0.862 -6.198 1.273 108 H LYS 19 H LYS 19 -1.008 -6.455 -2.089 109 HA LYS 19 HA LYS 19 -1.130 -9.213 -1.584 110 2HB LYS 19 2HB LYS 19 -2.191 -9.194 -3.861 111 2HG LYS 19 2HG LYS 19 -3.494 -7.190 -2.470 112 2HD LYS 19 2HD LYS 19 -5.059 -9.131 -1.818 113 2HE LYS 19 2HE LYS 19 -4.345 -8.928 -4.794 114 1HZ LYS 19 1HZ LYS 19 -5.840 -10.744 -4.301 115 2HZ LYS 19 2HZ LYS 19 -6.869 -9.736 -3.505 116 3HZ LYS 19 3HZ LYS 19 -6.622 -9.554 -5.117 117 H LYS 20 H LYS 20 0.727 -7.374 -3.971 118 HA LYS 20 HA LYS 20 1.982 -9.455 -5.408 119 2HB LYS 20 2HB LYS 20 3.918 -7.754 -5.670 120 2HG LYS 20 2HG LYS 20 1.112 -7.290 -6.637 121 2HD LYS 20 2HD LYS 20 3.516 -5.450 -7.128 122 2HE LYS 20 2HE LYS 20 0.691 -5.464 -8.278 123 1HZ LYS 20 1HZ LYS 20 1.275 -3.176 -9.058 124 2HZ LYS 20 2HZ LYS 20 0.842 -3.213 -7.522 125 3HZ LYS 20 3HZ LYS 20 2.402 -3.065 -7.879 126 H VAL 21 H VAL 21 3.206 -7.796 -2.392 127 HA VAL 21 HA VAL 21 5.336 -9.697 -2.093 128 HB VAL 21 HB VAL 21 4.760 -8.763 0.446 129 1HG1 VAL 21 1HG1 VAL 21 6.991 -8.825 -0.675 130 2HG1 VAL 21 2HG1 VAL 21 6.460 -7.490 -1.734 131 3HG1 VAL 21 3HG1 VAL 21 6.693 -7.215 0.012 132 1HG2 VAL 21 1HG2 VAL 21 4.317 -6.378 -1.333 133 2HG2 VAL 21 2HG2 VAL 21 3.063 -7.243 -0.396 134 3HG2 VAL 21 3HG2 VAL 21 4.395 -6.434 0.436 135 H THR 22 H THR 22 2.293 -9.384 -0.044 136 HA THR 22 HA THR 22 2.940 -12.044 0.988 137 HB THR 22 HB THR 22 1.700 -9.418 1.941 138 HG1 THR 22 HG1 THR 22 4.017 -10.891 2.637 139 1HG2 THR 22 1HG2 THR 22 1.536 -10.473 4.134 140 2HG2 THR 22 2HG2 THR 22 0.416 -11.090 2.903 141 3HG2 THR 22 3HG2 THR 22 1.842 -12.066 3.361 142 H GLY 23 H GLY 23 0.249 -9.955 -0.038 143 1HA GLY 23 1HA GLY 23 -1.659 -11.338 -1.186 144 2HA GLY 23 2HA GLY 23 -1.655 -12.281 0.297 145 H SER 24 H SER 24 -0.968 -9.528 1.667 146 HA SER 24 HA SER 24 -3.585 -9.426 2.800 147 2HB SER 24 2HB SER 24 -2.531 -7.961 4.441 148 HG SER 24 HG SER 24 -0.833 -9.365 4.971 149 H GLY 25 H GLY 25 -4.417 -8.661 0.521 150 1HA GLY 25 1HA GLY 25 -3.587 -6.313 -0.591 151 2HA GLY 25 2HA GLY 25 -5.102 -7.071 -0.973 152 H GLN 26 H GLN 26 -5.428 -6.162 2.280 153 HA GLN 26 HA GLN 26 -7.320 -4.055 1.427 154 2HB GLN 26 2HB GLN 26 -8.261 -4.324 3.615 155 2HG GLN 26 2HG GLN 26 -7.528 -7.079 2.520 156 1HE2 GLN 26 1HE2 GLN 26 -10.856 -6.444 2.874 157 2HE2 GLN 26 2HE2 GLN 26 -11.053 -7.260 4.414 158 H GLY 27 H GLY 27 -6.373 -1.975 1.336 159 1HA GLY 27 1HA GLY 27 -4.745 -1.012 3.568 160 2HA GLY 27 2HA GLY 27 -3.852 -1.396 2.063 161 H LYS 28 H LYS 28 -3.224 0.892 2.211 162 HA LYS 28 HA LYS 28 -4.820 2.630 0.596 163 2HB LYS 28 2HB LYS 28 -4.533 4.145 3.063 164 2HG LYS 28 2HG LYS 28 -7.034 3.097 1.692 165 2HD LYS 28 2HD LYS 28 -6.531 5.298 3.755 166 2HE LYS 28 2HE LYS 28 -8.047 6.185 2.039 167 1HZ LYS 28 1HZ LYS 28 -9.017 4.132 1.254 168 2HZ LYS 28 2HZ LYS 28 -9.766 3.878 2.700 169 3HZ LYS 28 3HZ LYS 28 -10.194 5.161 1.762 170 H CYS 29 H CYS 29 -3.721 4.600 0.075 171 HA CYS 29 HA CYS 29 -0.800 4.275 0.495 172 2HB CYS 29 2HB CYS 29 -1.690 4.667 -2.005 173 H GLN 30 H GLN 30 0.417 6.258 0.911 174 HA GLN 30 HA GLN 30 -1.050 8.616 1.926 175 2HB GLN 30 2HB GLN 30 1.454 7.477 3.202 176 2HG GLN 30 2HG GLN 30 -0.539 9.485 4.353 177 1HE2 GLN 30 1HE2 GLN 30 0.123 7.738 6.176 178 2HE2 GLN 30 2HE2 GLN 30 1.540 8.218 7.102 179 H ASN 31 H ASN 31 -0.150 10.326 0.726 180 HA ASN 31 HA ASN 31 1.390 11.654 -0.211 181 2HB ASN 31 2HB ASN 31 3.385 9.933 1.365 182 1HD2 ASN 31 1HD2 ASN 31 5.290 10.449 0.291 183 2HD2 ASN 31 2HD2 ASN 31 5.779 12.110 -0.050 184 H ASN 32 H ASN 32 3.569 8.938 -0.309 185 HA ASN 32 HA ASN 32 2.861 7.839 -2.791 186 2HB ASN 32 2HB ASN 32 5.020 8.139 -4.054 187 1HD2 ASN 32 1HD2 ASN 32 2.739 8.907 -4.878 188 2HD2 ASN 32 2HD2 ASN 32 2.514 10.640 -4.705 189 H GLN 33 H GLN 33 2.807 6.883 -0.395 190 HA GLN 33 HA GLN 33 4.768 4.748 -0.204 191 2HB GLN 33 2HB GLN 33 4.775 5.229 2.315 192 2HG GLN 33 2HG GLN 33 6.696 5.854 0.644 193 1HE2 GLN 33 1HE2 GLN 33 8.381 7.816 1.051 194 2HE2 GLN 33 2HE2 GLN 33 7.746 9.384 0.593 195 H CYS 34 H CYS 34 3.583 3.239 1.741 196 HA CYS 34 HA CYS 34 0.682 3.546 1.574 197 2HB CYS 34 2HB CYS 34 1.327 0.994 0.420 198 H ARG 35 H ARG 35 -0.468 1.607 2.346 199 HA ARG 35 HA ARG 35 1.007 0.030 4.365 200 2HB ARG 35 2HB ARG 35 -0.612 0.613 6.100 201 2HG ARG 35 2HG ARG 35 0.376 3.115 4.772 202 2HD ARG 35 2HD ARG 35 -1.279 3.468 6.640 203 HE ARG 35 HE ARG 35 0.528 1.718 7.758 204 1HH1 ARG 35 1HH1 ARG 35 -0.780 4.786 8.827 205 2HH1 ARG 35 2HH1 ARG 35 -0.235 4.640 10.474 206 1HH2 ARG 35 1HH2 ARG 35 1.095 1.353 9.925 207 2HH2 ARG 35 2HH2 ARG 35 0.887 2.600 11.126 208 H CYS 36 H CYS 36 -0.292 -1.652 5.188 209 HA CYS 36 HA CYS 36 -2.955 -2.134 4.004 210 2HB CYS 36 2HB CYS 36 -1.664 -3.451 2.589 211 H TYR 37 H TYR 37 -3.984 -3.983 5.230 212 HA TYR 37 HA TYR 37 -4.235 -2.971 7.853 213 2HB TYR 37 2HB TYR 37 -5.948 -4.025 6.204 214 HD1 TYR 37 HD1 TYR 37 -6.312 -6.368 8.917 215 HD2 TYR 37 HD2 TYR 37 -4.759 -6.001 4.910 216 HE1 TYR 37 HE1 TYR 37 -6.392 -8.820 8.659 217 HE2 TYR 37 HE2 TYR 37 -4.964 -8.455 4.618 218 HH TYR 37 HH TYR 37 -6.070 -10.609 7.232 Start of MODEL 24 1 1H PHE 1 1H PHE 1 -1.435 -0.951 8.571 2 HA PHE 1 HA PHE 1 -0.014 -1.666 11.081 3 2HB PHE 1 2HB PHE 1 -1.407 -3.517 9.102 4 HD1 PHE 1 HD1 PHE 1 0.315 -5.257 8.872 5 HD2 PHE 1 HD2 PHE 1 -0.757 -3.757 12.774 6 HE1 PHE 1 HE1 PHE 1 1.651 -7.052 9.935 7 HE2 PHE 1 HE2 PHE 1 0.586 -5.553 13.829 8 HZ PHE 1 HZ PHE 1 1.792 -7.204 12.411 9 H GLY 2 H GLY 2 -0.184 -2.436 7.683 10 1HA GLY 2 1HA GLY 2 2.676 -2.934 7.235 11 2HA GLY 2 2HA GLY 2 1.431 -2.689 6.021 12 H LEU 3 H LEU 3 4.240 -1.241 6.765 13 HA LEU 3 HA LEU 3 3.174 1.044 5.461 14 2HB LEU 3 2HB LEU 3 3.069 1.871 7.828 15 HG LEU 3 HG LEU 3 6.074 1.255 7.744 16 1HD1 LEU 3 1HD1 LEU 3 6.270 2.769 9.728 17 2HD1 LEU 3 2HD1 LEU 3 5.770 3.659 8.284 18 3HD1 LEU 3 3HD1 LEU 3 4.575 3.271 9.542 19 1HD2 LEU 3 1HD2 LEU 3 4.704 -0.455 8.919 20 2HD2 LEU 3 2HD2 LEU 3 5.587 0.489 10.116 21 3HD2 LEU 3 3HD2 LEU 3 3.859 0.793 9.861 22 H ILE 4 H ILE 4 4.270 1.613 3.779 23 HA ILE 4 HA ILE 4 6.949 0.464 3.415 24 HB ILE 4 HB ILE 4 6.005 -0.788 1.678 25 2HG1 ILE 4 2HG1 ILE 4 4.348 1.457 1.034 26 1HG2 ILE 4 1HG2 ILE 4 4.000 -1.948 2.435 27 2HG2 ILE 4 2HG2 ILE 4 5.053 -1.646 3.818 28 3HG2 ILE 4 3HG2 ILE 4 3.590 -0.651 3.574 29 1HD1 ILE 4 1HD1 ILE 4 4.442 -1.333 -0.117 30 2HD1 ILE 4 2HD1 ILE 4 3.901 0.165 -0.927 31 3HD1 ILE 4 3HD1 ILE 4 5.618 -0.039 -0.466 32 H ASP 5 H ASP 5 7.923 1.449 1.415 33 HA ASP 5 HA ASP 5 6.993 4.257 1.080 34 2HB ASP 5 2HB ASP 5 9.927 3.723 0.910 35 H VAL 6 H VAL 6 6.336 2.046 -0.537 36 HA VAL 6 HA VAL 6 7.707 2.634 -3.113 37 HB VAL 6 HB VAL 6 5.462 0.674 -2.601 38 1HG1 VAL 6 1HG1 VAL 6 6.081 -0.176 -4.848 39 2HG1 VAL 6 2HG1 VAL 6 5.432 1.465 -4.914 40 3HG1 VAL 6 3HG1 VAL 6 7.183 1.199 -5.056 41 1HG2 VAL 6 1HG2 VAL 6 7.248 -1.026 -2.886 42 2HG2 VAL 6 2HG2 VAL 6 8.458 0.254 -3.083 43 3HG2 VAL 6 3HG2 VAL 6 7.661 0.020 -1.522 44 H LYS 7 H LYS 7 6.876 3.881 -4.611 45 HA LYS 7 HA LYS 7 5.277 6.007 -3.719 46 2HB LYS 7 2HB LYS 7 5.657 6.761 -6.178 47 2HG LYS 7 2HG LYS 7 6.885 7.831 -4.478 48 2HD LYS 7 2HD LYS 7 8.566 5.315 -4.120 49 2HE LYS 7 2HE LYS 7 8.699 8.054 -2.767 50 1HZ LYS 7 1HZ LYS 7 9.025 6.486 -1.068 51 2HZ LYS 7 2HZ LYS 7 9.810 5.443 -1.973 52 3HZ LYS 7 3HZ LYS 7 10.528 6.873 -1.514 53 H CYS 8 H CYS 8 3.259 5.946 -3.381 54 HA CYS 8 HA CYS 8 1.179 4.531 -4.823 55 2HB CYS 8 2HB CYS 8 1.336 6.143 -2.567 56 H PHE 9 H PHE 9 0.559 4.963 -6.785 57 HA PHE 9 HA PHE 9 0.339 7.719 -7.882 58 2HB PHE 9 2HB PHE 9 -1.208 5.805 -9.340 59 HD1 PHE 9 HD1 PHE 9 -1.342 6.947 -11.379 60 HD2 PHE 9 HD2 PHE 9 2.459 6.689 -9.360 61 HE1 PHE 9 HE1 PHE 9 -0.262 8.136 -13.266 62 HE2 PHE 9 HE2 PHE 9 3.538 7.893 -11.251 63 HZ PHE 9 HZ PHE 9 2.179 8.615 -13.205 64 H ALA 10 H ALA 10 -1.237 5.406 -5.801 65 HA ALA 10 HA ALA 10 -3.427 6.978 -5.122 66 1HB ALA 10 1HB ALA 10 -5.267 5.618 -6.136 67 2HB ALA 10 2HB ALA 10 -4.328 6.422 -7.400 68 3HB ALA 10 3HB ALA 10 -4.066 4.702 -7.059 69 H SER 11 H SER 11 -5.023 5.322 -3.965 70 HA SER 11 HA SER 11 -3.555 3.576 -2.112 71 2HB SER 11 2HB SER 11 -5.937 3.121 -1.360 72 HG SER 11 HG SER 11 -5.098 5.840 -1.656 73 H SER 12 H SER 12 -5.384 2.997 -5.140 74 HA SER 12 HA SER 12 -6.192 0.426 -4.577 75 2HB SER 12 2HB SER 12 -7.154 1.253 -6.503 76 HG SER 12 HG SER 12 -4.690 2.454 -7.339 77 H GLU 13 H GLU 13 -3.312 1.464 -6.365 78 HA GLU 13 HA GLU 13 -1.513 -0.366 -6.768 79 2HB GLU 13 2HB GLU 13 -0.343 1.362 -5.080 80 2HG GLU 13 2HG GLU 13 -0.200 1.330 -7.748 81 H CYS 14 H CYS 14 -2.190 0.808 -3.394 82 HA CYS 14 HA CYS 14 -0.037 -0.517 -2.159 83 2HB CYS 14 2HB CYS 14 -1.129 0.191 -0.172 84 H TRP 15 H TRP 15 -3.176 -1.322 -3.194 85 HA TRP 15 HA TRP 15 -3.709 -3.507 -1.254 86 2HB TRP 15 2HB TRP 15 -5.587 -4.075 -2.659 87 HD1 TRP 15 HD1 TRP 15 -4.745 -1.301 -0.745 88 HE1 TRP 15 HE1 TRP 15 -6.670 0.331 -0.334 89 HE3 TRP 15 HE3 TRP 15 -7.801 -2.809 -4.505 90 HZ2 TRP 15 HZ2 TRP 15 -9.208 0.992 -1.617 91 HZ3 TRP 15 HZ3 TRP 15 -9.956 -1.646 -4.938 92 HH2 TRP 15 HH2 TRP 15 -10.666 0.249 -3.499 93 H THR 16 H THR 16 -3.144 -3.375 -4.820 94 HA THR 16 HA THR 16 -2.429 -6.094 -5.169 95 HB THR 16 HB THR 16 -1.180 -4.805 -7.200 96 HG1 THR 16 HG1 THR 16 -2.286 -2.838 -7.551 97 1HG2 THR 16 1HG2 THR 16 -3.361 -4.831 -8.391 98 2HG2 THR 16 2HG2 THR 16 -3.142 -6.303 -7.430 99 3HG2 THR 16 3HG2 THR 16 -4.209 -5.004 -6.842 100 H ALA 17 H ALA 17 -0.522 -3.255 -4.024 101 HA ALA 17 HA ALA 17 1.994 -4.594 -4.203 102 1HB ALA 17 1HB ALA 17 2.813 -2.927 -2.618 103 2HB ALA 17 2HB ALA 17 1.752 -2.131 -3.792 104 3HB ALA 17 3HB ALA 17 1.172 -2.481 -2.152 105 H CYS 18 H CYS 18 -0.230 -4.275 -1.366 106 HA CYS 18 HA CYS 18 1.321 -5.993 0.260 107 2HB CYS 18 2HB CYS 18 -1.568 -6.211 0.787 108 H LYS 19 H LYS 19 -1.139 -6.661 -2.191 109 HA LYS 19 HA LYS 19 -1.528 -9.374 -1.552 110 2HB LYS 19 2HB LYS 19 -2.260 -9.426 -3.988 111 2HG LYS 19 2HG LYS 19 -3.528 -7.210 -2.646 112 2HD LYS 19 2HD LYS 19 -5.564 -8.601 -2.941 113 2HE LYS 19 2HE LYS 19 -3.959 -8.461 -5.544 114 1HZ LYS 19 1HZ LYS 19 -5.945 -9.799 -5.735 115 2HZ LYS 19 2HZ LYS 19 -6.871 -8.590 -5.115 116 3HZ LYS 19 3HZ LYS 19 -6.121 -8.393 -6.561 117 H LYS 20 H LYS 20 0.477 -7.813 -4.018 118 HA LYS 20 HA LYS 20 1.792 -10.146 -4.979 119 2HB LYS 20 2HB LYS 20 3.602 -8.525 -5.721 120 2HG LYS 20 2HG LYS 20 0.688 -8.023 -6.456 121 2HD LYS 20 2HD LYS 20 2.133 -6.163 -7.236 122 2HE LYS 20 2HE LYS 20 3.625 -8.431 -8.666 123 1HZ LYS 20 1HZ LYS 20 4.874 -6.692 -9.707 124 2HZ LYS 20 2HZ LYS 20 3.296 -6.577 -10.153 125 3HZ LYS 20 3HZ LYS 20 3.921 -5.524 -9.048 126 H VAL 21 H VAL 21 2.724 -8.005 -2.117 127 HA VAL 21 HA VAL 21 5.164 -9.313 -1.644 128 HB VAL 21 HB VAL 21 3.099 -7.605 -0.199 129 1HG1 VAL 21 1HG1 VAL 21 5.746 -8.530 0.777 130 2HG1 VAL 21 2HG1 VAL 21 4.856 -7.097 1.413 131 3HG1 VAL 21 3HG1 VAL 21 4.099 -8.696 1.464 132 1HG2 VAL 21 1HG2 VAL 21 4.496 -6.581 -2.142 133 2HG2 VAL 21 2HG2 VAL 21 4.726 -5.791 -0.570 134 3HG2 VAL 21 3HG2 VAL 21 5.930 -6.955 -1.174 135 H THR 22 H THR 22 1.907 -9.418 0.041 136 HA THR 22 HA THR 22 2.813 -11.861 1.297 137 HB THR 22 HB THR 22 1.592 -9.285 2.191 138 HG1 THR 22 HG1 THR 22 3.463 -11.136 3.249 139 1HG2 THR 22 1HG2 THR 22 0.875 -10.285 4.310 140 2HG2 THR 22 2HG2 THR 22 -0.107 -10.723 2.902 141 3HG2 THR 22 3HG2 THR 22 1.041 -11.908 3.580 142 H GLY 23 H GLY 23 -0.021 -10.160 -0.062 143 1HA GLY 23 1HA GLY 23 -1.714 -11.638 -1.216 144 2HA GLY 23 2HA GLY 23 -1.722 -12.627 0.239 145 H SER 24 H SER 24 -1.344 -9.847 1.673 146 HA SER 24 HA SER 24 -4.150 -9.938 2.564 147 2HB SER 24 2HB SER 24 -1.668 -8.568 3.682 148 HG SER 24 HG SER 24 -3.552 -7.490 4.256 149 H GLY 25 H GLY 25 -4.626 -9.012 0.359 150 1HA GLY 25 1HA GLY 25 -3.627 -6.694 -0.644 151 2HA GLY 25 2HA GLY 25 -5.160 -7.420 -1.093 152 H GLN 26 H GLN 26 -4.831 -5.789 2.078 153 HA GLN 26 HA GLN 26 -6.878 -3.851 1.163 154 2HB GLN 26 2HB GLN 26 -7.894 -4.152 3.292 155 2HG GLN 26 2HG GLN 26 -7.163 -6.919 2.267 156 1HE2 GLN 26 1HE2 GLN 26 -8.427 -8.563 3.154 157 2HE2 GLN 26 2HE2 GLN 26 -9.829 -8.245 4.158 158 H GLY 27 H GLY 27 -6.217 -1.720 1.481 159 1HA GLY 27 1HA GLY 27 -4.711 -0.787 3.725 160 2HA GLY 27 2HA GLY 27 -3.668 -1.055 2.292 161 H LYS 28 H LYS 28 -3.449 1.382 2.613 162 HA LYS 28 HA LYS 28 -4.729 2.466 0.293 163 2HB LYS 28 2HB LYS 28 -5.301 4.656 1.394 164 2HG LYS 28 2HG LYS 28 -7.131 2.660 2.708 165 2HD LYS 28 2HD LYS 28 -8.855 4.152 1.905 166 2HE LYS 28 2HE LYS 28 -7.589 4.905 4.008 167 1HZ LYS 28 1HZ LYS 28 -5.650 5.896 2.959 168 2HZ LYS 28 2HZ LYS 28 -6.584 6.935 2.100 169 3HZ LYS 28 3HZ LYS 28 -6.507 7.057 3.736 170 H CYS 29 H CYS 29 -3.748 4.607 -0.235 171 HA CYS 29 HA CYS 29 -0.864 4.315 0.360 172 2HB CYS 29 2HB CYS 29 -1.812 4.906 -2.098 173 H GLN 30 H GLN 30 0.309 6.371 0.856 174 HA GLN 30 HA GLN 30 -1.242 8.582 1.979 175 2HB GLN 30 2HB GLN 30 1.236 7.440 3.314 176 2HG GLN 30 2HG GLN 30 0.901 9.810 3.797 177 1HE2 GLN 30 1HE2 GLN 30 -1.742 8.396 5.806 178 2HE2 GLN 30 2HE2 GLN 30 -2.921 9.604 5.328 179 H ASN 31 H ASN 31 -0.415 10.362 0.913 180 HA ASN 31 HA ASN 31 1.010 11.811 0.014 181 2HB ASN 31 2HB ASN 31 3.231 10.252 1.443 182 1HD2 ASN 31 1HD2 ASN 31 1.995 13.598 1.701 183 2HD2 ASN 31 2HD2 ASN 31 3.453 14.328 1.054 184 H ASN 32 H ASN 32 3.387 9.251 -0.205 185 HA ASN 32 HA ASN 32 2.595 8.164 -2.670 186 2HB ASN 32 2HB ASN 32 4.687 8.509 -4.011 187 1HD2 ASN 32 1HD2 ASN 32 2.437 9.158 -4.839 188 2HD2 ASN 32 2HD2 ASN 32 2.059 10.855 -4.575 189 H GLN 33 H GLN 33 2.612 7.114 -0.379 190 HA GLN 33 HA GLN 33 4.661 5.038 -0.306 191 2HB GLN 33 2HB GLN 33 4.585 5.402 2.263 192 2HG GLN 33 2HG GLN 33 6.438 6.165 0.537 193 1HE2 GLN 33 1HE2 GLN 33 8.143 7.818 0.795 194 2HE2 GLN 33 2HE2 GLN 33 7.628 9.504 0.512 195 H CYS 34 H CYS 34 3.526 3.345 1.528 196 HA CYS 34 HA CYS 34 0.635 3.604 1.406 197 2HB CYS 34 2HB CYS 34 1.263 1.046 0.285 198 H ARG 35 H ARG 35 -0.552 1.977 2.448 199 HA ARG 35 HA ARG 35 0.988 0.567 4.528 200 2HB ARG 35 2HB ARG 35 -0.621 1.700 6.224 201 2HG ARG 35 2HG ARG 35 1.331 3.312 4.620 202 2HD ARG 35 2HD ARG 35 0.996 3.929 7.495 203 HE ARG 35 HE ARG 35 1.812 5.259 4.978 204 1HH1 ARG 35 1HH1 ARG 35 1.233 5.807 8.411 205 2HH1 ARG 35 2HH1 ARG 35 2.324 7.152 8.549 206 1HH2 ARG 35 1HH2 ARG 35 3.325 6.993 5.129 207 2HH2 ARG 35 2HH2 ARG 35 3.515 7.861 6.614 208 H CYS 36 H CYS 36 0.117 -1.363 5.035 209 HA CYS 36 HA CYS 36 -2.575 -1.977 3.980 210 2HB CYS 36 2HB CYS 36 -1.982 -4.005 3.672 211 H TYR 37 H TYR 37 -3.905 -3.428 5.251 212 HA TYR 37 HA TYR 37 -4.282 -2.183 7.835 213 2HB TYR 37 2HB TYR 37 -6.005 -2.973 5.929 214 HD1 TYR 37 HD1 TYR 37 -7.788 -4.387 8.543 215 HD2 TYR 37 HD2 TYR 37 -4.917 -5.556 5.540 216 HE1 TYR 37 HE1 TYR 37 -8.637 -6.711 8.625 217 HE2 TYR 37 HE2 TYR 37 -5.809 -7.864 5.594 218 HH TYR 37 HH TYR 37 -7.304 -9.313 6.572 Start of MODEL 25 1 1H PHE 1 1H PHE 1 -1.575 -0.064 11.897 2 HA PHE 1 HA PHE 1 -0.975 -2.011 10.567 3 2HB PHE 1 2HB PHE 1 -2.057 -1.376 8.427 4 HD1 PHE 1 HD1 PHE 1 -3.457 -2.712 10.106 5 HD2 PHE 1 HD2 PHE 1 -3.310 1.587 10.089 6 HE1 PHE 1 HE1 PHE 1 -5.525 -2.633 11.503 7 HE2 PHE 1 HE2 PHE 1 -5.355 1.669 11.494 8 HZ PHE 1 HZ PHE 1 -6.462 -0.441 12.204 9 H GLY 2 H GLY 2 -0.201 -2.331 8.036 10 1HA GLY 2 1HA GLY 2 2.482 -2.408 7.807 11 2HA GLY 2 2HA GLY 2 1.414 -2.215 6.449 12 H LEU 3 H LEU 3 4.188 -0.927 7.106 13 HA LEU 3 HA LEU 3 3.365 1.513 5.803 14 2HB LEU 3 2HB LEU 3 3.506 2.303 8.139 15 HG LEU 3 HG LEU 3 6.409 1.271 7.955 16 1HD1 LEU 3 1HD1 LEU 3 6.376 3.667 8.599 17 2HD1 LEU 3 2HD1 LEU 3 5.187 3.350 9.882 18 3HD1 LEU 3 3HD1 LEU 3 6.819 2.661 9.983 19 1HD2 LEU 3 1HD2 LEU 3 4.175 0.944 10.077 20 2HD2 LEU 3 2HD2 LEU 3 4.922 -0.338 9.102 21 3HD2 LEU 3 3HD2 LEU 3 5.871 0.491 10.327 22 H ILE 4 H ILE 4 4.567 1.775 4.048 23 HA ILE 4 HA ILE 4 6.950 0.010 3.765 24 HB ILE 4 HB ILE 4 5.938 -0.776 1.791 25 2HG1 ILE 4 2HG1 ILE 4 4.737 1.801 1.449 26 1HG2 ILE 4 1HG2 ILE 4 4.836 -1.651 3.855 27 2HG2 ILE 4 2HG2 ILE 4 3.536 -0.445 3.652 28 3HG2 ILE 4 3HG2 ILE 4 3.803 -1.693 2.419 29 1HD1 ILE 4 1HD1 ILE 4 4.242 0.923 -0.720 30 2HD1 ILE 4 2HD1 ILE 4 5.801 0.216 -0.223 31 3HD1 ILE 4 3HD1 ILE 4 4.315 -0.757 -0.128 32 H ASP 5 H ASP 5 7.876 0.704 1.366 33 HA ASP 5 HA ASP 5 7.307 3.493 0.796 34 2HB ASP 5 2HB ASP 5 10.193 2.700 1.246 35 H VAL 6 H VAL 6 6.150 2.553 -0.730 36 HA VAL 6 HA VAL 6 7.721 2.443 -3.199 37 HB VAL 6 HB VAL 6 5.340 0.588 -2.765 38 1HG1 VAL 6 1HG1 VAL 6 5.303 1.558 -5.023 39 2HG1 VAL 6 2HG1 VAL 6 7.025 1.166 -5.240 40 3HG1 VAL 6 3HG1 VAL 6 5.820 -0.132 -5.098 41 1HG2 VAL 6 1HG2 VAL 6 6.996 -1.201 -3.285 42 2HG2 VAL 6 2HG2 VAL 6 8.290 0.012 -3.324 43 3HG2 VAL 6 3HG2 VAL 6 7.443 -0.341 -1.808 44 H LYS 7 H LYS 7 6.943 3.879 -4.591 45 HA LYS 7 HA LYS 7 5.409 5.966 -3.493 46 2HB LYS 7 2HB LYS 7 5.708 6.894 -5.903 47 2HG LYS 7 2HG LYS 7 7.081 7.738 -4.143 48 2HD LYS 7 2HD LYS 7 8.746 5.194 -4.375 49 2HE LYS 7 2HE LYS 7 9.277 7.836 -2.948 50 1HZ LYS 7 1HZ LYS 7 10.686 5.264 -2.523 51 2HZ LYS 7 2HZ LYS 7 11.108 6.699 -1.881 52 3HZ LYS 7 3HZ LYS 7 9.711 5.988 -1.484 53 H CYS 8 H CYS 8 3.302 5.967 -3.239 54 HA CYS 8 HA CYS 8 1.356 4.381 -4.653 55 2HB CYS 8 2HB CYS 8 1.299 6.213 -2.541 56 H PHE 9 H PHE 9 0.729 4.590 -6.629 57 HA PHE 9 HA PHE 9 0.455 7.240 -7.950 58 2HB PHE 9 2HB PHE 9 -0.677 4.821 -9.255 59 HD1 PHE 9 HD1 PHE 9 -1.618 6.476 -10.848 60 HD2 PHE 9 HD2 PHE 9 2.601 6.425 -9.949 61 HE1 PHE 9 HE1 PHE 9 -1.181 7.948 -12.795 62 HE2 PHE 9 HE2 PHE 9 3.028 7.920 -11.880 63 HZ PHE 9 HZ PHE 9 1.140 8.674 -13.311 64 H ALA 10 H ALA 10 -1.154 5.108 -5.773 65 HA ALA 10 HA ALA 10 -3.494 6.548 -5.498 66 1HB ALA 10 1HB ALA 10 -4.210 5.773 -7.755 67 2HB ALA 10 2HB ALA 10 -3.852 4.094 -7.295 68 3HB ALA 10 3HB ALA 10 -5.167 4.985 -6.505 69 H SER 11 H SER 11 -4.807 5.567 -3.845 70 HA SER 11 HA SER 11 -3.597 3.720 -2.018 71 2HB SER 11 2HB SER 11 -5.999 3.475 -1.214 72 HG SER 11 HG SER 11 -4.944 6.108 -1.564 73 H SER 12 H SER 12 -5.728 3.137 -4.854 74 HA SER 12 HA SER 12 -6.305 0.466 -4.194 75 2HB SER 12 2HB SER 12 -7.714 1.273 -5.818 76 HG SER 12 HG SER 12 -6.918 2.728 -7.470 77 H GLU 13 H GLU 13 -3.336 1.957 -5.365 78 HA GLU 13 HA GLU 13 -2.250 -0.406 -6.605 79 2HB GLU 13 2HB GLU 13 -0.651 1.510 -5.048 80 2HG GLU 13 2HG GLU 13 0.898 1.391 -7.032 81 H CYS 14 H CYS 14 -1.989 1.102 -3.327 82 HA CYS 14 HA CYS 14 -0.173 -0.477 -2.054 83 2HB CYS 14 2HB CYS 14 -1.200 0.312 -0.051 84 H TRP 15 H TRP 15 -3.363 -1.113 -3.030 85 HA TRP 15 HA TRP 15 -3.946 -3.418 -1.278 86 2HB TRP 15 2HB TRP 15 -5.698 -3.956 -2.863 87 HD1 TRP 15 HD1 TRP 15 -4.941 -1.139 -0.788 88 HE1 TRP 15 HE1 TRP 15 -6.934 0.290 -0.270 89 HE3 TRP 15 HE3 TRP 15 -8.031 -2.898 -4.426 90 HZ2 TRP 15 HZ2 TRP 15 -9.646 0.690 -1.372 91 HZ3 TRP 15 HZ3 TRP 15 -10.328 -1.976 -4.683 92 HH2 TRP 15 HH2 TRP 15 -11.141 -0.191 -3.161 93 H THR 16 H THR 16 -3.094 -3.156 -4.820 94 HA THR 16 HA THR 16 -2.343 -5.879 -5.100 95 HB THR 16 HB THR 16 -0.991 -4.632 -7.079 96 HG1 THR 16 HG1 THR 16 -1.367 -2.525 -6.614 97 1HG2 THR 16 1HG2 THR 16 -3.083 -4.764 -8.403 98 2HG2 THR 16 2HG2 THR 16 -2.885 -6.197 -7.377 99 3HG2 THR 16 3HG2 THR 16 -4.026 -4.912 -6.908 100 H ALA 17 H ALA 17 -0.486 -3.006 -3.857 101 HA ALA 17 HA ALA 17 2.013 -4.372 -3.919 102 1HB ALA 17 1HB ALA 17 2.767 -2.764 -2.277 103 2HB ALA 17 2HB ALA 17 1.727 -1.926 -3.443 104 3HB ALA 17 3HB ALA 17 1.104 -2.350 -1.831 105 H CYS 18 H CYS 18 -0.383 -4.123 -1.266 106 HA CYS 18 HA CYS 18 0.901 -5.825 0.575 107 2HB CYS 18 2HB CYS 18 -2.085 -5.901 0.317 108 H LYS 19 H LYS 19 -1.238 -6.528 -2.215 109 HA LYS 19 HA LYS 19 -1.545 -9.285 -1.690 110 2HB LYS 19 2HB LYS 19 -2.086 -9.293 -4.173 111 2HG LYS 19 2HG LYS 19 -3.467 -7.121 -2.828 112 2HD LYS 19 2HD LYS 19 -4.225 -8.067 -5.126 113 2HE LYS 19 2HE LYS 19 -5.089 -10.331 -3.228 114 1HZ LYS 19 1HZ LYS 19 -6.781 -9.833 -4.856 115 2HZ LYS 19 2HZ LYS 19 -5.699 -9.995 -6.089 116 3HZ LYS 19 3HZ LYS 19 -6.084 -11.292 -5.154 117 H LYS 20 H LYS 20 0.547 -7.515 -3.891 118 HA LYS 20 HA LYS 20 2.010 -9.648 -5.053 119 2HB LYS 20 2HB LYS 20 3.797 -7.874 -5.468 120 2HG LYS 20 2HG LYS 20 0.902 -7.587 -6.270 121 2HD LYS 20 2HD LYS 20 1.981 -5.279 -6.136 122 2HE LYS 20 2HE LYS 20 4.240 -6.044 -7.103 123 1HZ LYS 20 1HZ LYS 20 4.338 -5.900 -9.492 124 2HZ LYS 20 2HZ LYS 20 3.348 -7.145 -9.079 125 3HZ LYS 20 3HZ LYS 20 2.712 -5.720 -9.609 126 H VAL 21 H VAL 21 2.669 -7.854 -1.894 127 HA VAL 21 HA VAL 21 5.054 -9.244 -1.355 128 HB VAL 21 HB VAL 21 2.935 -7.585 0.073 129 1HG1 VAL 21 1HG1 VAL 21 4.654 -7.156 1.756 130 2HG1 VAL 21 2HG1 VAL 21 3.929 -8.772 1.714 131 3HG1 VAL 21 3HG1 VAL 21 5.579 -8.537 1.057 132 1HG2 VAL 21 1HG2 VAL 21 4.394 -6.468 -1.771 133 2HG2 VAL 21 2HG2 VAL 21 4.598 -5.768 -0.152 134 3HG2 VAL 21 3HG2 VAL 21 5.798 -6.921 -0.792 135 H THR 22 H THR 22 1.697 -9.338 0.028 136 HA THR 22 HA THR 22 2.375 -11.966 1.105 137 HB THR 22 HB THR 22 2.958 -10.397 2.782 138 HG1 THR 22 HG1 THR 22 0.605 -11.809 3.362 139 1HG2 THR 22 1HG2 THR 22 0.080 -9.386 2.666 140 2HG2 THR 22 2HG2 THR 22 1.279 -8.954 3.895 141 3HG2 THR 22 3HG2 THR 22 1.529 -8.466 2.214 142 H GLY 23 H GLY 23 0.295 -10.918 -0.999 143 1HA GLY 23 1HA GLY 23 -1.719 -11.737 -1.740 144 2HA GLY 23 2HA GLY 23 -1.778 -12.806 -0.341 145 H SER 24 H SER 24 -1.558 -10.337 1.451 146 HA SER 24 HA SER 24 -4.353 -10.424 2.051 147 2HB SER 24 2HB SER 24 -3.678 -9.544 4.159 148 HG SER 24 HG SER 24 -2.519 -11.574 3.287 149 H GLY 25 H GLY 25 -4.734 -9.220 -0.106 150 1HA GLY 25 1HA GLY 25 -3.744 -6.842 -0.794 151 2HA GLY 25 2HA GLY 25 -5.265 -7.474 -1.381 152 H GLN 26 H GLN 26 -4.780 -5.929 1.880 153 HA GLN 26 HA GLN 26 -6.917 -4.011 1.163 154 2HB GLN 26 2HB GLN 26 -7.777 -4.373 3.332 155 2HG GLN 26 2HG GLN 26 -6.991 -7.102 2.242 156 1HE2 GLN 26 1HE2 GLN 26 -9.575 -8.134 2.046 157 2HE2 GLN 26 2HE2 GLN 26 -10.233 -8.260 3.668 158 H GLY 27 H GLY 27 -6.146 -1.869 1.324 159 1HA GLY 27 1HA GLY 27 -4.623 -0.945 3.567 160 2HA GLY 27 2HA GLY 27 -3.586 -1.197 2.130 161 H LYS 28 H LYS 28 -3.310 1.222 2.408 162 HA LYS 28 HA LYS 28 -4.716 2.473 0.290 163 2HB LYS 28 2HB LYS 28 -5.312 4.568 1.654 164 2HG LYS 28 2HG LYS 28 -7.212 2.417 2.529 165 2HD LYS 28 2HD LYS 28 -7.488 5.126 1.140 166 2HE LYS 28 2HE LYS 28 -9.623 3.302 2.357 167 1HZ LYS 28 1HZ LYS 28 -9.895 5.825 0.850 168 2HZ LYS 28 2HZ LYS 28 -11.128 4.878 1.383 169 3HZ LYS 28 3HZ LYS 28 -10.161 5.648 2.465 170 H CYS 29 H CYS 29 -3.792 4.679 -0.136 171 HA CYS 29 HA CYS 29 -0.893 4.414 0.405 172 2HB CYS 29 2HB CYS 29 -1.755 4.797 -2.125 173 H GLN 30 H GLN 30 0.273 6.475 0.815 174 HA GLN 30 HA GLN 30 -1.332 8.725 1.796 175 2HB GLN 30 2HB GLN 30 1.182 7.682 3.166 176 2HG GLN 30 2HG GLN 30 0.955 10.042 3.555 177 1HE2 GLN 30 1HE2 GLN 30 -1.885 8.990 5.492 178 2HE2 GLN 30 2HE2 GLN 30 -2.969 10.189 4.808 179 H ASN 31 H ASN 31 -0.502 10.570 0.865 180 HA ASN 31 HA ASN 31 0.870 11.964 -0.243 181 2HB ASN 31 2HB ASN 31 3.193 10.442 1.080 182 1HD2 ASN 31 1HD2 ASN 31 4.252 11.594 -0.932 183 2HD2 ASN 31 2HD2 ASN 31 4.644 13.276 -0.650 184 H ASN 32 H ASN 32 3.057 9.253 -0.439 185 HA ASN 32 HA ASN 32 2.497 8.183 -2.879 186 2HB ASN 32 2HB ASN 32 4.617 8.606 -4.183 187 1HD2 ASN 32 1HD2 ASN 32 2.291 9.068 -5.038 188 2HD2 ASN 32 2HD2 ASN 32 1.812 10.752 -4.863 189 H GLN 33 H GLN 33 2.498 7.124 -0.656 190 HA GLN 33 HA GLN 33 4.685 5.254 -0.378 191 2HB GLN 33 2HB GLN 33 3.750 7.026 1.959 192 2HG GLN 33 2HG GLN 33 6.222 5.269 1.679 193 1HE2 GLN 33 1HE2 GLN 33 6.822 4.575 4.051 194 2HE2 GLN 33 2HE2 GLN 33 7.020 5.931 5.170 195 H CYS 34 H CYS 34 3.559 3.602 1.551 196 HA CYS 34 HA CYS 34 0.646 3.779 1.431 197 2HB CYS 34 2HB CYS 34 1.397 1.182 0.490 198 H ARG 35 H ARG 35 -0.467 2.101 2.466 199 HA ARG 35 HA ARG 35 1.048 0.671 4.551 200 2HB ARG 35 2HB ARG 35 -0.721 1.397 6.210 201 2HG ARG 35 2HG ARG 35 0.598 3.726 4.885 202 2HD ARG 35 2HD ARG 35 -0.752 4.127 7.005 203 HE ARG 35 HE ARG 35 0.943 2.040 7.719 204 1HH1 ARG 35 1HH1 ARG 35 -0.065 5.103 9.106 205 2HH1 ARG 35 2HH1 ARG 35 0.203 4.682 10.772 206 1HH2 ARG 35 1HH2 ARG 35 1.257 1.355 9.997 207 2HH2 ARG 35 2HH2 ARG 35 0.938 2.464 11.282 208 H CYS 36 H CYS 36 -0.061 -1.098 5.363 209 HA CYS 36 HA CYS 36 -2.619 -1.838 4.164 210 2HB CYS 36 2HB CYS 36 -0.796 -2.356 2.384 211 H TYR 37 H TYR 37 -3.551 -3.848 4.950 212 HA TYR 37 HA TYR 37 -2.856 -4.034 7.792 213 2HB TYR 37 2HB TYR 37 -5.246 -4.076 6.419 214 HD1 TYR 37 HD1 TYR 37 -4.605 -6.374 4.888 215 HD2 TYR 37 HD2 TYR 37 -6.188 -6.218 8.901 216 HE1 TYR 37 HE1 TYR 37 -5.834 -8.482 4.494 217 HE2 TYR 37 HE2 TYR 37 -7.336 -8.377 8.526 218 HH TYR 37 HH TYR 37 -7.254 -10.073 5.388
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