NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16668 | 2ajj | 6757 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 HT1 SER 1 -21.035 2.977 6.187 2 2H SER 1 HT2 SER 1 -21.723 2.236 7.552 3 3H SER 1 HT3 SER 1 -20.290 3.136 7.703 4 HA SER 1 HA SER 1 -23.047 4.123 7.242 5 1HB SER 1 HB2 SER 1 -22.146 5.594 9.187 6 2HB SER 1 HB1 SER 1 -22.495 3.903 9.531 7 HG SER 1 HG SER 1 -20.294 5.027 10.053 8 H GLY 2 HN GLY 2 -19.610 5.196 7.278 9 1HA GLY 2 HA2 GLY 2 -20.286 7.731 5.990 10 2HA GLY 2 HA1 GLY 2 -18.659 7.155 6.356 11 H ASN 3 HN ASN 3 -18.004 5.162 4.946 12 HA ASN 3 HA ASN 3 -19.207 5.167 2.238 13 1HB ASN 3 HB2 ASN 3 -17.313 7.021 2.804 14 2HB ASN 3 HB1 ASN 3 -16.274 5.677 2.330 15 1HD2 ASN 3 1HD2 ASN 3 -18.907 7.794 1.173 16 2HD2 ASN 3 2HD2 ASN 3 -18.662 7.469 -0.475 17 H TYR 4 HN TYR 4 -16.652 4.007 1.156 18 HA TYR 4 HA TYR 4 -16.152 1.583 2.742 19 1HB TYR 4 HB2 TYR 4 -17.140 0.068 1.068 20 2HB TYR 4 HB1 TYR 4 -18.358 1.174 1.696 21 HD1 TYR 4 HD1 TYR 4 -18.929 3.264 0.329 22 HD2 TYR 4 HD2 TYR 4 -16.635 -0.011 -1.244 23 HE1 TYR 4 HE1 TYR 4 -19.406 4.038 -1.976 24 HE2 TYR 4 HE2 TYR 4 -17.113 0.765 -3.550 25 HH TYR 4 HH TYR 4 -19.323 2.406 -4.514 26 H VAL 5 HN VAL 5 -15.688 3.318 -0.359 27 HA VAL 5 HA VAL 5 -13.586 1.725 -1.432 28 HB VAL 5 HB VAL 5 -13.024 3.786 -2.696 29 1HG1 VAL 5 1HG1 VAL 5 -15.005 2.425 -3.329 30 2HG1 VAL 5 2HG1 VAL 5 -15.211 4.131 -3.725 31 3HG1 VAL 5 3HG1 VAL 5 -16.011 3.452 -2.309 32 1HG2 VAL 5 1HG2 VAL 5 -13.149 5.526 -1.088 33 2HG2 VAL 5 2HG2 VAL 5 -14.778 5.066 -0.593 34 3HG2 VAL 5 3HG2 VAL 5 -14.515 5.823 -2.163 35 H LEU 6 HN LEU 6 -13.427 4.428 0.921 36 HA LEU 6 HA LEU 6 -10.588 4.671 1.075 37 1HB LEU 6 HB2 LEU 6 -12.975 5.473 2.545 38 2HB LEU 6 HB1 LEU 6 -11.653 5.095 3.649 39 HG LEU 6 HG LEU 6 -10.227 6.531 1.953 40 1HD1 LEU 6 1HD1 LEU 6 -11.415 8.178 0.743 41 2HD1 LEU 6 2HD1 LEU 6 -12.908 7.879 1.632 42 3HD1 LEU 6 3HD1 LEU 6 -12.333 6.700 0.453 43 1HD2 LEU 6 1HD2 LEU 6 -12.198 7.921 3.790 44 2HD2 LEU 6 2HD2 LEU 6 -10.571 8.451 3.367 45 3HD2 LEU 6 3HD2 LEU 6 -10.798 7.025 4.379 46 H ASP 7 HN ASP 7 -12.846 2.543 2.833 47 HA ASP 7 HA ASP 7 -10.891 1.254 4.506 48 1HB ASP 7 HB2 ASP 7 -13.701 1.099 3.831 49 2HB ASP 7 HB1 ASP 7 -13.018 -0.525 3.861 50 H LEU 8 HN LEU 8 -12.016 0.716 1.196 51 HA LEU 8 HA LEU 8 -10.661 -1.844 0.825 52 1HB LEU 8 HB2 LEU 8 -12.500 -0.103 -0.527 53 2HB LEU 8 HB1 LEU 8 -11.183 -0.486 -1.633 54 HG LEU 8 HG LEU 8 -11.702 -2.918 -0.400 55 1HD1 LEU 8 1HD1 LEU 8 -14.332 -1.549 -1.052 56 2HD1 LEU 8 2HD1 LEU 8 -13.769 -1.933 0.574 57 3HD1 LEU 8 3HD1 LEU 8 -14.128 -3.231 -0.564 58 1HD2 LEU 8 1HD2 LEU 8 -11.220 -2.604 -2.776 59 2HD2 LEU 8 2HD2 LEU 8 -12.764 -1.783 -3.010 60 3HD2 LEU 8 3HD2 LEU 8 -12.730 -3.499 -2.607 61 H ILE 9 HN ILE 9 -9.819 1.568 0.319 62 HA ILE 9 HA ILE 9 -7.604 1.367 -1.413 63 HB ILE 9 HB ILE 9 -8.198 3.106 0.998 64 1HG1 ILE 9 2HG1 ILE 9 -8.190 3.720 -1.974 65 2HG1 ILE 9 1HG1 ILE 9 -9.631 3.265 -1.070 66 1HG2 ILE 9 1HG2 ILE 9 -5.929 3.363 -1.002 67 2HG2 ILE 9 2HG2 ILE 9 -5.770 3.091 0.733 68 3HG2 ILE 9 3HG2 ILE 9 -6.406 4.623 0.136 69 1HD1 ILE 9 1HD1 ILE 9 -8.582 5.280 0.491 70 2HD1 ILE 9 2HD1 ILE 9 -9.872 5.488 -0.693 71 3HD1 ILE 9 3HD1 ILE 9 -8.201 5.832 -1.140 72 H TYR 10 HN TYR 10 -7.912 0.321 1.916 73 HA TYR 10 HA TYR 10 -5.188 0.141 2.704 74 1HB TYR 10 HB2 TYR 10 -6.184 -0.805 4.524 75 2HB TYR 10 HB1 TYR 10 -7.704 -0.499 3.700 76 HD1 TYR 10 HD1 TYR 10 -8.880 -2.322 2.499 77 HD2 TYR 10 HD2 TYR 10 -5.226 -3.038 4.638 78 HE1 TYR 10 HE1 TYR 10 -9.315 -4.759 2.423 79 HE2 TYR 10 HE2 TYR 10 -5.658 -5.477 4.558 80 HH TYR 10 HH TYR 10 -7.383 -6.980 2.631 81 H SER 11 HN SER 11 -7.189 -2.096 0.780 82 HA SER 11 HA SER 11 -5.081 -4.107 0.495 83 1HB SER 11 HB2 SER 11 -7.605 -4.452 0.426 84 2HB SER 11 HB1 SER 11 -7.594 -3.672 -1.153 85 HG SER 11 HG SER 11 -6.038 -5.302 -1.780 86 H LEU 12 HN LEU 12 -6.103 -1.218 -1.192 87 HA LEU 12 HA LEU 12 -4.647 -1.792 -3.667 88 1HB LEU 12 HB2 LEU 12 -6.605 -0.437 -3.814 89 2HB LEU 12 HB1 LEU 12 -6.125 0.540 -2.432 90 HG LEU 12 HG LEU 12 -4.248 1.469 -3.744 91 1HD1 LEU 12 1HD1 LEU 12 -5.364 -0.394 -5.842 92 2HD1 LEU 12 2HD1 LEU 12 -3.695 -0.231 -5.297 93 3HD1 LEU 12 3HD1 LEU 12 -4.425 1.030 -6.290 94 1HD2 LEU 12 1HD2 LEU 12 -6.356 2.685 -3.759 95 2HD2 LEU 12 2HD2 LEU 12 -6.983 1.653 -5.044 96 3HD2 LEU 12 3HD2 LEU 12 -5.652 2.761 -5.374 97 H HIS 13 HN HIS 13 -4.166 0.070 -0.705 98 HA HIS 13 HA HIS 13 -1.705 1.368 -1.499 99 1HB HIS 13 HB2 HIS 13 -3.505 1.799 0.410 100 2HB HIS 13 HB1 HIS 13 -2.416 0.780 1.352 101 HD1 HIS 13 HD1 HIS 13 -2.733 4.170 -0.119 102 HD2 HIS 13 HD2 HIS 13 0.274 1.856 1.605 103 HE1 HIS 13 HE1 HIS 13 -0.815 5.747 0.386 104 H LYS 14 HN LYS 14 -2.438 -1.689 0.208 105 HA LYS 14 HA LYS 14 0.159 -2.282 1.180 106 1HB LYS 14 HB2 LYS 14 -0.658 -4.566 1.298 107 2HB LYS 14 HB1 LYS 14 -1.998 -3.483 1.663 108 1HG LYS 14 HG2 LYS 14 -3.132 -4.641 0.082 109 2HG LYS 14 HG1 LYS 14 -2.172 -3.728 -1.080 110 1HD LYS 14 HD2 LYS 14 -0.704 -5.488 -1.465 111 2HD LYS 14 HD1 LYS 14 -1.009 -6.222 0.110 112 1HE LYS 14 HE2 LYS 14 -3.344 -6.787 -0.678 113 2HE LYS 14 HE1 LYS 14 -2.872 -6.224 -2.293 114 1HZ LYS 14 HZ1 LYS 14 -2.503 -8.642 -1.946 115 2HZ LYS 14 HZ2 LYS 14 -1.372 -8.267 -0.735 116 3HZ LYS 14 HZ3 LYS 14 -1.088 -7.797 -2.344 117 H GLN 15 HN GLN 15 -1.090 -2.434 -2.093 118 HA GLN 15 HA GLN 15 0.988 -4.120 -3.214 119 1HB GLN 15 HB2 GLN 15 -0.677 -1.953 -4.546 120 2HB GLN 15 HB1 GLN 15 0.074 -3.337 -5.336 121 1HG GLN 15 HG2 GLN 15 -1.407 -4.628 -3.471 122 2HG GLN 15 HG1 GLN 15 -2.414 -3.202 -3.717 123 1HE2 GLN 15 1HE2 GLN 15 -2.566 -2.652 -6.290 124 2HE2 GLN 15 2HE2 GLN 15 -2.926 -3.999 -7.258 125 H ILE 16 HN ILE 16 0.506 -0.598 -3.001 126 HA ILE 16 HA ILE 16 3.007 0.134 -4.252 127 HB ILE 16 HB ILE 16 1.154 1.577 -2.322 128 1HG1 ILE 16 2HG1 ILE 16 1.179 2.501 -5.076 129 2HG1 ILE 16 1HG1 ILE 16 0.792 0.782 -5.002 130 1HG2 ILE 16 1HG2 ILE 16 2.295 3.585 -3.644 131 2HG2 ILE 16 2HG2 ILE 16 3.618 2.429 -3.796 132 3HG2 ILE 16 3HG2 ILE 16 3.046 2.909 -2.198 133 1HD1 ILE 16 1HD1 ILE 16 -0.897 1.346 -3.197 134 2HD1 ILE 16 2HD1 ILE 16 -1.287 1.972 -4.799 135 3HD1 ILE 16 3HD1 ILE 16 -0.618 3.046 -3.570 136 H ASN 17 HN ASN 17 1.994 -0.535 -0.938 137 HA ASN 17 HA ASN 17 4.400 0.348 0.394 138 1HB ASN 17 HB2 ASN 17 1.872 -0.943 0.977 139 2HB ASN 17 HB1 ASN 17 3.173 -1.771 1.830 140 1HD2 ASN 17 1HD2 ASN 17 4.900 0.161 2.638 141 2HD2 ASN 17 2HD2 ASN 17 4.123 1.359 3.556 142 H ARG 18 HN ARG 18 3.389 -2.734 -1.075 143 HA ARG 18 HA ARG 18 5.488 -4.409 -0.105 144 1HB ARG 18 HB2 ARG 18 3.367 -4.417 -2.083 145 2HB ARG 18 HB1 ARG 18 4.818 -5.155 -2.760 146 1HG ARG 18 HG2 ARG 18 4.037 -7.023 -1.704 147 2HG ARG 18 HG1 ARG 18 4.811 -6.295 -0.299 148 1HD ARG 18 HD2 ARG 18 2.682 -5.241 0.359 149 2HD ARG 18 HD1 ARG 18 1.892 -5.942 -1.067 150 HE ARG 18 HE ARG 18 2.339 -8.184 -0.126 151 1HH1 ARG 18 1HH1 ARG 18 4.585 -7.183 1.718 152 2HH1 ARG 18 2HH1 ARG 18 3.822 -7.326 3.266 153 1HH2 ARG 18 1HH2 ARG 18 0.619 -7.628 1.952 154 2HH2 ARG 18 2HH2 ARG 18 1.569 -7.584 3.400 155 H GLY 19 HN GLY 19 5.267 -2.614 -3.212 156 1HA GLY 19 HA2 GLY 19 7.982 -3.176 -4.003 157 2HA GLY 19 HA1 GLY 19 6.957 -1.913 -4.690 158 H LEU 20 HN LEU 20 6.441 -0.395 -2.383 159 HA LEU 20 HA LEU 20 8.696 1.325 -2.209 160 1HB LEU 20 HB2 LEU 20 6.437 2.038 -1.700 161 2HB LEU 20 HB1 LEU 20 6.302 0.843 -0.412 162 HG LEU 20 HG LEU 20 8.078 1.998 0.852 163 1HD1 LEU 20 1HD1 LEU 20 8.011 3.886 -1.519 164 2HD1 LEU 20 2HD1 LEU 20 9.389 2.953 -0.935 165 3HD1 LEU 20 3HD1 LEU 20 8.761 4.293 0.024 166 1HD2 LEU 20 1HD2 LEU 20 6.790 4.052 1.383 167 2HD2 LEU 20 2HD2 LEU 20 5.735 2.648 1.229 168 3HD2 LEU 20 3HD2 LEU 20 5.838 3.821 -0.083 169 H LYS 21 HN LYS 21 7.611 -1.275 -0.041 170 HA LYS 21 HA LYS 21 9.671 -0.926 1.949 171 1HB LYS 21 HB2 LYS 21 7.471 -2.095 2.227 172 2HB LYS 21 HB1 LYS 21 8.065 -3.384 1.181 173 1HG LYS 21 HG2 LYS 21 10.081 -3.033 3.105 174 2HG LYS 21 HG1 LYS 21 8.569 -2.941 4.008 175 1HD LYS 21 HD2 LYS 21 8.010 -5.044 2.396 176 2HD LYS 21 HD1 LYS 21 9.759 -5.231 2.537 177 1HE LYS 21 HE2 LYS 21 9.660 -5.462 4.901 178 2HE LYS 21 HE1 LYS 21 8.012 -4.806 4.976 179 1HZ LYS 21 HZ1 LYS 21 7.184 -6.688 3.783 180 2HZ LYS 21 HZ2 LYS 21 8.101 -7.273 5.089 181 3HZ LYS 21 HZ3 LYS 21 8.748 -7.289 3.517 182 H LYS 22 HN LYS 22 9.402 -2.964 -0.951 183 HA LYS 22 HA LYS 22 11.764 -4.529 -0.591 184 1HB LYS 22 HB2 LYS 22 9.921 -4.936 -2.218 185 2HB LYS 22 HB1 LYS 22 10.449 -3.526 -3.137 186 1HG LYS 22 HG2 LYS 22 12.651 -5.371 -2.584 187 2HG LYS 22 HG1 LYS 22 11.351 -6.136 -3.498 188 1HD LYS 22 HD2 LYS 22 12.267 -3.403 -4.322 189 2HD LYS 22 HD1 LYS 22 13.263 -4.794 -4.752 190 1HE LYS 22 HE2 LYS 22 11.569 -5.756 -6.087 191 2HE LYS 22 HE1 LYS 22 10.290 -4.803 -5.308 192 1HZ LYS 22 HZ1 LYS 22 10.939 -3.900 -7.495 193 2HZ LYS 22 HZ2 LYS 22 12.517 -3.655 -6.915 194 3HZ LYS 22 HZ3 LYS 22 11.214 -2.799 -6.235 195 H ILE 23 HN ILE 23 11.275 -1.346 -2.098 196 HA ILE 23 HA ILE 23 13.907 -0.988 -3.160 197 HB ILE 23 HB ILE 23 11.775 0.916 -2.149 198 1HG1 ILE 23 2HG1 ILE 23 12.574 0.530 -5.017 199 2HG1 ILE 23 1HG1 ILE 23 11.571 -0.699 -4.246 200 1HG2 ILE 23 1HG2 ILE 23 13.791 2.193 -2.073 201 2HG2 ILE 23 2HG2 ILE 23 13.039 2.596 -3.616 202 3HG2 ILE 23 3HG2 ILE 23 14.393 1.467 -3.563 203 1HD1 ILE 23 1HD1 ILE 23 9.962 0.763 -5.103 204 2HD1 ILE 23 2HD1 ILE 23 10.943 2.192 -4.775 205 3HD1 ILE 23 3HD1 ILE 23 10.141 1.349 -3.450 206 H VAL 24 HN VAL 24 12.510 0.024 -0.037 207 HA VAL 24 HA VAL 24 14.997 1.071 1.029 208 HB VAL 24 HB VAL 24 12.363 0.185 2.252 209 1HG1 VAL 24 1HG1 VAL 24 13.866 0.052 4.071 210 2HG1 VAL 24 2HG1 VAL 24 13.215 1.687 4.188 211 3HG1 VAL 24 3HG1 VAL 24 14.817 1.423 3.499 212 1HG2 VAL 24 1HG2 VAL 24 13.556 2.864 1.482 213 2HG2 VAL 24 2HG2 VAL 24 12.124 2.708 2.499 214 3HG2 VAL 24 3HG2 VAL 24 12.094 2.115 0.839 215 H LEU 25 HN LEU 25 13.360 -2.047 1.111 216 HA LEU 25 HA LEU 25 14.995 -3.338 3.098 217 1HB LEU 25 HB2 LEU 25 12.837 -4.205 2.456 218 2HB LEU 25 HB1 LEU 25 13.305 -4.276 0.759 219 HG LEU 25 HG LEU 25 14.997 -6.000 1.309 220 1HD1 LEU 25 1HD1 LEU 25 14.067 -5.343 4.066 221 2HD1 LEU 25 2HD1 LEU 25 15.674 -5.798 3.501 222 3HD1 LEU 25 3HD1 LEU 25 14.436 -7.034 3.726 223 1HD2 LEU 25 1HD2 LEU 25 12.598 -6.562 0.704 224 2HD2 LEU 25 2HD2 LEU 25 12.284 -6.755 2.429 225 3HD2 LEU 25 3HD2 LEU 25 13.440 -7.812 1.620 226 H GLY 26 HN GLY 26 15.269 -2.995 -0.439 227 1HA GLY 26 HA2 GLY 26 17.595 -4.734 -0.647 228 2HA GLY 26 HA1 GLY 26 16.972 -3.681 -1.918 229 H TRP 27 HN TRP 27 17.113 -1.176 -0.773 230 HA TRP 27 HA TRP 27 19.952 -0.868 0.128 231 1HB TRP 27 HB2 TRP 27 19.357 -0.614 -2.439 232 2HB TRP 27 HB1 TRP 27 18.760 0.966 -1.932 233 HD1 TRP 27 HD1 TRP 27 21.946 -1.047 -2.357 234 HE1 TRP 27 HE1 TRP 27 23.977 0.510 -2.044 235 HE3 TRP 27 HE3 TRP 27 19.583 3.165 -0.699 236 HZ2 TRP 27 HZ2 TRP 27 24.525 3.189 -1.203 237 HZ3 TRP 27 HZ3 TRP 27 20.881 5.203 -0.150 238 HH2 TRP 27 HH2 TRP 27 23.347 5.220 -0.400 239 H ALA 28 HN ALA 28 20.268 0.877 1.534 240 HA ALA 28 HA ALA 28 17.898 2.619 2.126 241 1HB ALA 28 HB1 ALA 28 18.763 2.381 4.551 242 2HB ALA 28 HB2 ALA 28 19.714 1.025 3.944 243 3HB ALA 28 HB3 ALA 28 17.953 0.980 3.850 Start of MODEL 2 1 1H SER 1 HT1 SER 1 -17.703 5.372 8.590 2 2H SER 1 HT2 SER 1 -17.317 3.890 9.324 3 3H SER 1 HT3 SER 1 -17.574 5.272 10.279 4 HA SER 1 HA SER 1 -19.500 3.778 10.355 5 1HB SER 1 HB2 SER 1 -19.851 6.419 8.898 6 2HB SER 1 HB1 SER 1 -21.099 5.596 9.827 7 HG SER 1 HG SER 1 -20.181 7.022 11.216 8 H GLY 2 HN GLY 2 -19.423 5.395 7.137 9 1HA GLY 2 HA2 GLY 2 -20.583 2.885 5.985 10 2HA GLY 2 HA1 GLY 2 -20.990 4.497 5.394 11 H ASN 3 HN ASN 3 -19.942 5.041 3.556 12 HA ASN 3 HA ASN 3 -18.263 5.201 1.908 13 1HB ASN 3 HB2 ASN 3 -17.104 5.654 4.312 14 2HB ASN 3 HB1 ASN 3 -16.195 4.227 3.819 15 1HD2 ASN 3 1HD2 ASN 3 -15.501 7.264 3.931 16 2HD2 ASN 3 2HD2 ASN 3 -14.832 7.570 2.401 17 H TYR 4 HN TYR 4 -16.255 3.772 1.045 18 HA TYR 4 HA TYR 4 -16.500 0.886 1.498 19 1HB TYR 4 HB2 TYR 4 -18.490 1.299 0.146 20 2HB TYR 4 HB1 TYR 4 -17.547 2.224 -1.023 21 HD1 TYR 4 HD1 TYR 4 -16.477 1.149 -2.829 22 HD2 TYR 4 HD2 TYR 4 -17.871 -1.173 0.506 23 HE1 TYR 4 HE1 TYR 4 -15.947 -0.937 -4.060 24 HE2 TYR 4 HE2 TYR 4 -17.341 -3.258 -0.725 25 HH TYR 4 HH TYR 4 -15.455 -3.703 -2.862 26 H VAL 5 HN VAL 5 -15.540 3.194 -1.089 27 HA VAL 5 HA VAL 5 -13.228 1.703 -1.920 28 HB VAL 5 HB VAL 5 -12.664 3.804 -3.112 29 1HG1 VAL 5 1HG1 VAL 5 -14.613 3.892 -4.490 30 2HG1 VAL 5 2HG1 VAL 5 -15.662 3.402 -3.161 31 3HG1 VAL 5 3HG1 VAL 5 -14.532 2.245 -3.865 32 1HG2 VAL 5 1HG2 VAL 5 -13.131 5.519 -1.531 33 2HG2 VAL 5 2HG2 VAL 5 -14.778 4.945 -1.271 34 3HG2 VAL 5 3HG2 VAL 5 -14.347 5.727 -2.791 35 H LEU 6 HN LEU 6 -13.611 4.373 0.443 36 HA LEU 6 HA LEU 6 -10.847 4.842 0.983 37 1HB LEU 6 HB2 LEU 6 -13.071 6.020 1.744 38 2HB LEU 6 HB1 LEU 6 -12.999 4.891 3.097 39 HG LEU 6 HG LEU 6 -10.508 6.396 2.417 40 1HD1 LEU 6 1HD1 LEU 6 -12.783 7.619 4.007 41 2HD1 LEU 6 2HD1 LEU 6 -12.373 8.080 2.354 42 3HD1 LEU 6 3HD1 LEU 6 -11.219 8.354 3.657 43 1HD2 LEU 6 1HD2 LEU 6 -11.775 5.854 5.109 44 2HD2 LEU 6 2HD2 LEU 6 -10.075 6.140 4.740 45 3HD2 LEU 6 3HD2 LEU 6 -10.835 4.622 4.266 46 H ASP 7 HN ASP 7 -13.155 2.552 2.459 47 HA ASP 7 HA ASP 7 -11.288 1.379 4.324 48 1HB ASP 7 HB2 ASP 7 -14.034 1.149 3.498 49 2HB ASP 7 HB1 ASP 7 -13.327 -0.465 3.537 50 H LEU 8 HN LEU 8 -12.110 0.749 0.939 51 HA LEU 8 HA LEU 8 -10.668 -1.791 0.775 52 1HB LEU 8 HB2 LEU 8 -12.446 -0.167 -0.793 53 2HB LEU 8 HB1 LEU 8 -11.036 -0.566 -1.772 54 HG LEU 8 HG LEU 8 -11.584 -2.950 -0.469 55 1HD1 LEU 8 1HD1 LEU 8 -13.997 -3.333 -0.851 56 2HD1 LEU 8 2HD1 LEU 8 -14.187 -1.646 -1.329 57 3HD1 LEU 8 3HD1 LEU 8 -13.735 -2.047 0.328 58 1HD2 LEU 8 1HD2 LEU 8 -10.983 -2.472 -2.894 59 2HD2 LEU 8 2HD2 LEU 8 -12.692 -2.139 -3.173 60 3HD2 LEU 8 3HD2 LEU 8 -12.179 -3.747 -2.662 61 H ILE 9 HN ILE 9 -9.907 1.622 0.155 62 HA ILE 9 HA ILE 9 -7.559 1.435 -1.383 63 HB ILE 9 HB ILE 9 -8.510 3.231 0.847 64 1HG1 ILE 9 2HG1 ILE 9 -9.495 3.274 -1.488 65 2HG1 ILE 9 1HG1 ILE 9 -8.837 4.812 -0.938 66 1HG2 ILE 9 1HG2 ILE 9 -6.168 3.422 1.169 67 2HG2 ILE 9 2HG2 ILE 9 -6.578 4.772 0.111 68 3HG2 ILE 9 3HG2 ILE 9 -5.837 3.320 -0.561 69 1HD1 ILE 9 1HD1 ILE 9 -7.310 2.831 -2.653 70 2HD1 ILE 9 2HD1 ILE 9 -6.802 4.462 -2.217 71 3HD1 ILE 9 3HD1 ILE 9 -8.180 4.225 -3.291 72 H TYR 10 HN TYR 10 -8.063 0.629 2.001 73 HA TYR 10 HA TYR 10 -5.430 0.519 3.006 74 1HB TYR 10 HB2 TYR 10 -6.555 -0.416 4.754 75 2HB TYR 10 HB1 TYR 10 -8.003 -0.218 3.780 76 HD1 TYR 10 HD1 TYR 10 -8.984 -2.135 2.570 77 HD2 TYR 10 HD2 TYR 10 -5.472 -2.591 4.999 78 HE1 TYR 10 HE1 TYR 10 -9.281 -4.593 2.532 79 HE2 TYR 10 HE2 TYR 10 -5.767 -5.053 4.959 80 HH TYR 10 HH TYR 10 -8.508 -6.563 4.213 81 H SER 11 HN SER 11 -7.170 -1.857 0.995 82 HA SER 11 HA SER 11 -5.029 -3.825 0.948 83 1HB SER 11 HB2 SER 11 -7.525 -4.157 0.544 84 2HB SER 11 HB1 SER 11 -7.300 -3.380 -1.020 85 HG SER 11 HG SER 11 -5.853 -5.028 -1.568 86 H LEU 12 HN LEU 12 -6.127 -1.217 -1.225 87 HA LEU 12 HA LEU 12 -4.302 -1.631 -3.376 88 1HB LEU 12 HB2 LEU 12 -6.127 0.409 -2.340 89 2HB LEU 12 HB1 LEU 12 -4.726 1.127 -3.127 90 HG LEU 12 HG LEU 12 -6.518 -0.992 -4.353 91 1HD1 LEU 12 1HD1 LEU 12 -7.587 1.251 -4.093 92 2HD1 LEU 12 2HD1 LEU 12 -7.345 0.800 -5.781 93 3HD1 LEU 12 3HD1 LEU 12 -6.257 1.956 -5.013 94 1HD2 LEU 12 1HD2 LEU 12 -5.219 -0.117 -6.446 95 2HD2 LEU 12 2HD2 LEU 12 -4.413 -1.259 -5.371 96 3HD2 LEU 12 3HD2 LEU 12 -4.039 0.461 -5.268 97 H HIS 13 HN HIS 13 -3.969 0.035 -0.284 98 HA HIS 13 HA HIS 13 -1.428 1.297 -0.765 99 1HB HIS 13 HB2 HIS 13 -3.258 1.622 1.070 100 2HB HIS 13 HB1 HIS 13 -2.422 0.316 1.910 101 HD1 HIS 13 HD1 HIS 13 -2.122 3.910 0.997 102 HD2 HIS 13 HD2 HIS 13 0.292 0.960 2.681 103 HE1 HIS 13 HE1 HIS 13 -0.127 5.104 2.002 104 H LYS 14 HN LYS 14 -2.354 -1.927 0.422 105 HA LYS 14 HA LYS 14 0.205 -2.806 1.350 106 1HB LYS 14 HB2 LYS 14 -1.976 -4.412 -0.027 107 2HB LYS 14 HB1 LYS 14 -0.758 -5.043 1.076 108 1HG LYS 14 HG2 LYS 14 -3.131 -3.292 1.695 109 2HG LYS 14 HG1 LYS 14 -2.670 -4.819 2.434 110 1HD LYS 14 HD2 LYS 14 -0.929 -2.362 2.681 111 2HD LYS 14 HD1 LYS 14 -2.249 -2.675 3.804 112 1HE LYS 14 HE2 LYS 14 -0.346 -4.924 3.273 113 2HE LYS 14 HE1 LYS 14 0.214 -3.591 4.301 114 1HZ LYS 14 HZ1 LYS 14 -2.501 -4.571 4.767 115 2HZ LYS 14 HZ2 LYS 14 -1.340 -4.012 5.876 116 3HZ LYS 14 HZ3 LYS 14 -1.234 -5.588 5.251 117 H GLN 15 HN GLN 15 -1.193 -2.589 -1.865 118 HA GLN 15 HA GLN 15 0.802 -4.142 -3.268 119 1HB GLN 15 HB2 GLN 15 -0.916 -1.832 -4.242 120 2HB GLN 15 HB1 GLN 15 -0.203 -3.098 -5.242 121 1HG GLN 15 HG2 GLN 15 -1.573 -4.616 -3.447 122 2HG GLN 15 HG1 GLN 15 -2.607 -3.190 -3.506 123 1HE2 GLN 15 1HE2 GLN 15 -2.929 -2.394 -5.970 124 2HE2 GLN 15 2HE2 GLN 15 -3.291 -3.637 -7.066 125 H ILE 16 HN ILE 16 0.386 -0.656 -2.689 126 HA ILE 16 HA ILE 16 2.822 0.203 -3.962 127 HB ILE 16 HB ILE 16 1.024 1.348 -1.803 128 1HG1 ILE 16 2HG1 ILE 16 1.263 2.627 -4.457 129 2HG1 ILE 16 1HG1 ILE 16 0.577 1.003 -4.487 130 1HG2 ILE 16 1HG2 ILE 16 3.013 2.522 -1.400 131 2HG2 ILE 16 2HG2 ILE 16 2.203 3.548 -2.584 132 3HG2 ILE 16 3HG2 ILE 16 3.503 2.468 -3.094 133 1HD1 ILE 16 1HD1 ILE 16 -1.379 2.030 -3.967 134 2HD1 ILE 16 2HD1 ILE 16 -0.566 3.500 -3.430 135 3HD1 ILE 16 3HD1 ILE 16 -0.718 2.125 -2.334 136 H ASN 17 HN ASN 17 2.013 -0.894 -0.713 137 HA ASN 17 HA ASN 17 4.481 -0.210 0.596 138 1HB ASN 17 HB2 ASN 17 2.007 -1.662 1.091 139 2HB ASN 17 HB1 ASN 17 3.381 -2.504 1.806 140 1HD2 ASN 17 1HD2 ASN 17 2.443 0.976 1.432 141 2HD2 ASN 17 2HD2 ASN 17 2.745 1.373 3.054 142 H ARG 18 HN ARG 18 3.436 -3.073 -1.261 143 HA ARG 18 HA ARG 18 5.619 -4.810 -0.636 144 1HB ARG 18 HB2 ARG 18 3.784 -4.438 -3.014 145 2HB ARG 18 HB1 ARG 18 4.993 -5.721 -2.980 146 1HG ARG 18 HG2 ARG 18 3.734 -5.875 -0.482 147 2HG ARG 18 HG1 ARG 18 2.423 -5.582 -1.623 148 1HD ARG 18 HD2 ARG 18 2.556 -7.705 -2.401 149 2HD ARG 18 HD1 ARG 18 4.295 -7.528 -2.706 150 HE ARG 18 HE ARG 18 4.703 -8.573 -0.626 151 1HH1 ARG 18 1HH1 ARG 18 1.868 -9.708 -0.929 152 2HH1 ARG 18 2HH1 ARG 18 1.206 -9.354 0.630 153 1HH2 ARG 18 1HH2 ARG 18 3.699 -7.074 1.455 154 2HH2 ARG 18 2HH2 ARG 18 2.245 -7.851 1.986 155 H GLY 19 HN GLY 19 5.214 -2.462 -3.316 156 1HA GLY 19 HA2 GLY 19 7.883 -2.855 -4.365 157 2HA GLY 19 HA1 GLY 19 6.812 -1.506 -4.756 158 H LEU 20 HN LEU 20 6.381 -0.455 -2.197 159 HA LEU 20 HA LEU 20 8.621 1.247 -1.790 160 1HB LEU 20 HB2 LEU 20 6.388 1.829 -1.071 161 2HB LEU 20 HB1 LEU 20 6.291 0.398 -0.047 162 HG LEU 20 HG LEU 20 8.046 1.278 1.410 163 1HD1 LEU 20 1HD1 LEU 20 8.602 3.818 0.900 164 2HD1 LEU 20 2HD1 LEU 20 8.219 3.346 -0.755 165 3HD1 LEU 20 3HD1 LEU 20 9.517 2.531 0.117 166 1HD2 LEU 20 1HD2 LEU 20 5.946 3.390 0.823 167 2HD2 LEU 20 2HD2 LEU 20 6.823 3.190 2.340 168 3HD2 LEU 20 3HD2 LEU 20 5.683 1.952 1.811 169 H LYS 21 HN LYS 21 7.649 -1.726 -0.096 170 HA LYS 21 HA LYS 21 9.691 -1.736 1.906 171 1HB LYS 21 HB2 LYS 21 7.557 -3.113 1.733 172 2HB LYS 21 HB1 LYS 21 8.401 -4.122 0.557 173 1HG LYS 21 HG2 LYS 21 10.201 -3.922 2.678 174 2HG LYS 21 HG1 LYS 21 8.631 -4.086 3.466 175 1HD LYS 21 HD2 LYS 21 8.472 -5.935 1.417 176 2HD LYS 21 HD1 LYS 21 10.158 -6.060 1.922 177 1HE LYS 21 HE2 LYS 21 9.591 -6.709 4.110 178 2HE LYS 21 HE1 LYS 21 7.957 -6.026 3.990 179 1HZ LYS 21 HZ1 LYS 21 7.269 -7.713 2.557 180 2HZ LYS 21 HZ2 LYS 21 8.208 -8.544 3.705 181 3HZ LYS 21 HZ3 LYS 21 8.856 -8.184 2.176 182 H LYS 22 HN LYS 22 9.634 -2.965 -1.414 183 HA LYS 22 HA LYS 22 12.148 -4.367 -1.349 184 1HB LYS 22 HB2 LYS 22 10.324 -4.618 -3.039 185 2HB LYS 22 HB1 LYS 22 10.695 -3.002 -3.641 186 1HG LYS 22 HG2 LYS 22 13.142 -4.479 -3.524 187 2HG LYS 22 HG1 LYS 22 11.943 -5.475 -4.349 188 1HD LYS 22 HD2 LYS 22 12.173 -2.572 -5.074 189 2HD LYS 22 HD1 LYS 22 13.357 -3.712 -5.714 190 1HE LYS 22 HE2 LYS 22 11.713 -4.947 -6.892 191 2HE LYS 22 HE1 LYS 22 10.388 -4.264 -5.928 192 1HZ LYS 22 HZ1 LYS 22 10.799 -2.109 -6.851 193 2HZ LYS 22 HZ2 LYS 22 10.638 -3.203 -8.142 194 3HZ LYS 22 HZ3 LYS 22 12.178 -2.656 -7.676 195 H ILE 23 HN ILE 23 11.262 -1.023 -2.155 196 HA ILE 23 HA ILE 23 13.848 -0.144 -3.047 197 HB ILE 23 HB ILE 23 11.566 1.358 -1.716 198 1HG1 ILE 23 2HG1 ILE 23 10.643 0.360 -3.654 199 2HG1 ILE 23 1HG1 ILE 23 11.117 1.965 -4.197 200 1HG2 ILE 23 1HG2 ILE 23 14.161 2.197 -2.794 201 2HG2 ILE 23 2HG2 ILE 23 13.032 3.078 -1.765 202 3HG2 ILE 23 3HG2 ILE 23 12.802 3.060 -3.514 203 1HD1 ILE 23 1HD1 ILE 23 12.337 -0.689 -4.833 204 2HD1 ILE 23 2HD1 ILE 23 13.402 0.714 -4.757 205 3HD1 ILE 23 3HD1 ILE 23 12.049 0.695 -5.888 206 H VAL 24 HN VAL 24 12.264 -0.034 0.140 207 HA VAL 24 HA VAL 24 14.511 1.186 1.513 208 HB VAL 24 HB VAL 24 12.136 -0.440 2.491 209 1HG1 VAL 24 1HG1 VAL 24 14.322 1.043 3.882 210 2HG1 VAL 24 2HG1 VAL 24 13.437 -0.394 4.392 211 3HG1 VAL 24 3HG1 VAL 24 12.694 1.199 4.542 212 1HG2 VAL 24 1HG2 VAL 24 11.790 2.273 3.100 213 2HG2 VAL 24 2HG2 VAL 24 10.958 1.376 1.832 214 3HG2 VAL 24 3HG2 VAL 24 12.429 2.273 1.456 215 H LEU 25 HN LEU 25 13.463 -2.118 0.878 216 HA LEU 25 HA LEU 25 15.270 -3.477 2.664 217 1HB LEU 25 HB2 LEU 25 13.373 -4.646 1.847 218 2HB LEU 25 HB1 LEU 25 13.688 -4.164 0.182 219 HG LEU 25 HG LEU 25 15.708 -5.586 0.153 220 1HD1 LEU 25 1HD1 LEU 25 15.751 -7.284 2.160 221 2HD1 LEU 25 2HD1 LEU 25 14.902 -6.001 3.019 222 3HD1 LEU 25 3HD1 LEU 25 16.505 -5.702 2.348 223 1HD2 LEU 25 1HD2 LEU 25 13.242 -6.408 -0.272 224 2HD2 LEU 25 2HD2 LEU 25 13.501 -7.329 1.209 225 3HD2 LEU 25 3HD2 LEU 25 14.552 -7.585 -0.184 226 H GLY 26 HN GLY 26 15.478 -2.683 -0.832 227 1HA GLY 26 HA2 GLY 26 18.240 -3.700 -0.961 228 2HA GLY 26 HA1 GLY 26 17.324 -3.014 -2.303 229 H TRP 27 HN TRP 27 17.077 -0.646 -2.357 230 HA TRP 27 HA TRP 27 18.657 1.033 -0.559 231 1HB TRP 27 HB2 TRP 27 20.081 -0.314 -2.465 232 2HB TRP 27 HB1 TRP 27 19.684 1.165 -3.340 233 HD1 TRP 27 HD1 TRP 27 21.929 -0.190 -0.685 234 HE1 TRP 27 HE1 TRP 27 23.389 1.703 0.286 235 HE3 TRP 27 HE3 TRP 27 19.592 3.864 -2.730 236 HZ2 TRP 27 HZ2 TRP 27 23.541 4.558 0.206 237 HZ3 TRP 27 HZ3 TRP 27 20.413 6.155 -2.266 238 HH2 TRP 27 HH2 TRP 27 22.383 6.507 -0.803 239 H ALA 28 HN ALA 28 17.466 0.937 -3.950 240 HA ALA 28 HA ALA 28 15.670 3.230 -3.401 241 1HB ALA 28 HB1 ALA 28 17.882 4.201 -3.929 242 2HB ALA 28 HB2 ALA 28 16.722 4.555 -5.210 243 3HB ALA 28 HB3 ALA 28 17.924 3.285 -5.435 Start of MODEL 3 1 1H SER 1 HT1 SER 1 -13.565 10.020 6.952 2 2H SER 1 HT2 SER 1 -13.168 9.608 8.552 3 3H SER 1 HT3 SER 1 -13.656 11.191 8.176 4 HA SER 1 HA SER 1 -15.551 10.223 9.148 5 1HB SER 1 HB2 SER 1 -17.027 10.038 7.073 6 2HB SER 1 HB1 SER 1 -16.045 11.496 7.170 7 HG SER 1 HG SER 1 -16.060 10.202 5.121 8 H GLY 2 HN GLY 2 -14.658 8.105 6.374 9 1HA GLY 2 HA2 GLY 2 -14.250 5.712 6.643 10 2HA GLY 2 HA1 GLY 2 -15.252 5.743 8.096 11 H ASN 3 HN ASN 3 -15.270 5.513 4.619 12 HA ASN 3 HA ASN 3 -18.258 5.192 4.664 13 1HB ASN 3 HB2 ASN 3 -16.318 6.088 2.506 14 2HB ASN 3 HB1 ASN 3 -18.034 5.807 2.220 15 1HD2 ASN 3 1HD2 ASN 3 -16.494 8.400 2.087 16 2HD2 ASN 3 2HD2 ASN 3 -17.284 9.442 3.170 17 H TYR 4 HN TYR 4 -15.649 4.193 2.418 18 HA TYR 4 HA TYR 4 -15.908 1.355 2.972 19 1HB TYR 4 HB2 TYR 4 -18.098 2.027 1.833 20 2HB TYR 4 HB1 TYR 4 -17.143 2.360 0.389 21 HD1 TYR 4 HD1 TYR 4 -16.474 0.609 -1.057 22 HD2 TYR 4 HD2 TYR 4 -17.962 -0.312 2.866 23 HE1 TYR 4 HE1 TYR 4 -16.505 -1.802 -1.634 24 HE2 TYR 4 HE2 TYR 4 -17.993 -2.723 2.287 25 HH TYR 4 HH TYR 4 -17.983 -3.909 -0.653 26 H VAL 5 HN VAL 5 -15.351 3.523 0.153 27 HA VAL 5 HA VAL 5 -13.244 1.993 -1.015 28 HB VAL 5 HB VAL 5 -12.762 4.098 -2.234 29 1HG1 VAL 5 1HG1 VAL 5 -14.800 2.653 -2.726 30 2HG1 VAL 5 2HG1 VAL 5 -14.894 4.320 -3.293 31 3HG1 VAL 5 3HG1 VAL 5 -15.749 3.838 -1.828 32 1HG2 VAL 5 1HG2 VAL 5 -14.221 6.105 -1.631 33 2HG2 VAL 5 2HG2 VAL 5 -12.902 5.760 -0.513 34 3HG2 VAL 5 3HG2 VAL 5 -14.551 5.293 -0.100 35 H LEU 6 HN LEU 6 -13.144 4.582 1.449 36 HA LEU 6 HA LEU 6 -10.308 4.922 1.579 37 1HB LEU 6 HB2 LEU 6 -12.522 5.130 3.650 38 2HB LEU 6 HB1 LEU 6 -10.878 5.700 3.928 39 HG LEU 6 HG LEU 6 -12.364 6.619 1.482 40 1HD1 LEU 6 1HD1 LEU 6 -13.790 6.938 3.586 41 2HD1 LEU 6 2HD1 LEU 6 -13.418 8.398 2.668 42 3HD1 LEU 6 3HD1 LEU 6 -12.530 8.036 4.149 43 1HD2 LEU 6 1HD2 LEU 6 -10.933 8.617 1.853 44 2HD2 LEU 6 2HD2 LEU 6 -9.972 7.144 1.719 45 3HD2 LEU 6 3HD2 LEU 6 -10.273 7.858 3.303 46 H ASP 7 HN ASP 7 -12.491 2.673 3.284 47 HA ASP 7 HA ASP 7 -10.452 1.366 4.857 48 1HB ASP 7 HB2 ASP 7 -13.294 1.192 4.278 49 2HB ASP 7 HB1 ASP 7 -12.581 -0.419 4.300 50 H LEU 8 HN LEU 8 -11.730 0.899 1.587 51 HA LEU 8 HA LEU 8 -10.367 -1.638 1.105 52 1HB LEU 8 HB2 LEU 8 -12.292 0.106 -0.132 53 2HB LEU 8 HB1 LEU 8 -11.033 -0.276 -1.306 54 HG LEU 8 HG LEU 8 -11.449 -2.714 -0.096 55 1HD1 LEU 8 1HD1 LEU 8 -13.410 -1.779 1.114 56 2HD1 LEU 8 2HD1 LEU 8 -13.878 -3.051 -0.016 57 3HD1 LEU 8 3HD1 LEU 8 -14.144 -1.357 -0.434 58 1HD2 LEU 8 1HD2 LEU 8 -11.226 -2.503 -2.468 59 2HD2 LEU 8 2HD2 LEU 8 -12.647 -1.464 -2.581 60 3HD2 LEU 8 3HD2 LEU 8 -12.835 -3.176 -2.202 61 H ILE 9 HN ILE 9 -9.585 1.788 0.655 62 HA ILE 9 HA ILE 9 -7.487 1.688 -1.217 63 HB ILE 9 HB ILE 9 -7.996 3.297 1.290 64 1HG1 ILE 9 2HG1 ILE 9 -7.889 4.152 -1.613 65 2HG1 ILE 9 1HG1 ILE 9 -9.360 3.553 -0.853 66 1HG2 ILE 9 1HG2 ILE 9 -6.170 4.845 0.427 67 2HG2 ILE 9 2HG2 ILE 9 -5.653 3.522 -0.618 68 3HG2 ILE 9 3HG2 ILE 9 -5.598 3.335 1.135 69 1HD1 ILE 9 1HD1 ILE 9 -8.039 6.161 -0.570 70 2HD1 ILE 9 2HD1 ILE 9 -8.475 5.424 0.971 71 3HD1 ILE 9 3HD1 ILE 9 -9.714 5.710 -0.251 72 H TYR 10 HN TYR 10 -7.551 0.573 2.110 73 HA TYR 10 HA TYR 10 -4.791 0.298 2.686 74 1HB TYR 10 HB2 TYR 10 -5.699 -0.648 4.549 75 2HB TYR 10 HB1 TYR 10 -7.266 -0.355 3.814 76 HD1 TYR 10 HD1 TYR 10 -8.513 -2.176 2.720 77 HD2 TYR 10 HD2 TYR 10 -4.671 -2.872 4.513 78 HE1 TYR 10 HE1 TYR 10 -8.911 -4.619 2.621 79 HE2 TYR 10 HE2 TYR 10 -5.070 -5.316 4.411 80 HH TYR 10 HH TYR 10 -7.687 -6.748 4.262 81 H SER 11 HN SER 11 -6.980 -1.879 0.889 82 HA SER 11 HA SER 11 -4.959 -3.919 0.394 83 1HB SER 11 HB2 SER 11 -7.554 -4.055 0.409 84 2HB SER 11 HB1 SER 11 -7.466 -3.391 -1.220 85 HG SER 11 HG SER 11 -7.317 -5.863 -0.666 86 H LEU 12 HN LEU 12 -6.235 -1.100 -1.365 87 HA LEU 12 HA LEU 12 -4.851 -1.505 -3.844 88 1HB LEU 12 HB2 LEU 12 -6.684 0.251 -2.818 89 2HB LEU 12 HB1 LEU 12 -5.239 1.258 -2.824 90 HG LEU 12 HG LEU 12 -6.476 1.486 -4.939 91 1HD1 LEU 12 1HD1 LEU 12 -3.888 1.447 -4.773 92 2HD1 LEU 12 2HD1 LEU 12 -4.616 1.302 -6.373 93 3HD1 LEU 12 3HD1 LEU 12 -4.007 -0.132 -5.548 94 1HD2 LEU 12 1HD2 LEU 12 -5.805 -1.374 -5.594 95 2HD2 LEU 12 2HD2 LEU 12 -7.013 -0.321 -6.330 96 3HD2 LEU 12 3HD2 LEU 12 -7.293 -0.996 -4.727 97 H HIS 13 HN HIS 13 -3.909 -0.109 -0.755 98 HA HIS 13 HA HIS 13 -1.376 0.991 -1.682 99 1HB HIS 13 HB2 HIS 13 -2.926 1.543 0.381 100 2HB HIS 13 HB1 HIS 13 -2.012 0.254 1.166 101 HD1 HIS 13 HD1 HIS 13 -1.737 3.765 -0.008 102 HD2 HIS 13 HD2 HIS 13 0.828 0.800 1.404 103 HE1 HIS 13 HE1 HIS 13 0.452 4.916 0.544 104 H LYS 14 HN LYS 14 -2.464 -2.138 -0.493 105 HA LYS 14 HA LYS 14 -0.034 -3.252 0.446 106 1HB LYS 14 HB2 LYS 14 -2.672 -4.101 -0.384 107 2HB LYS 14 HB1 LYS 14 -1.464 -5.256 -0.948 108 1HG LYS 14 HG2 LYS 14 -2.190 -5.896 1.285 109 2HG LYS 14 HG1 LYS 14 -0.521 -5.330 1.364 110 1HD LYS 14 HD2 LYS 14 -1.676 -2.989 1.815 111 2HD LYS 14 HD1 LYS 14 -3.020 -3.999 2.344 112 1HE LYS 14 HE2 LYS 14 -0.169 -4.218 3.386 113 2HE LYS 14 HE1 LYS 14 -1.516 -3.451 4.247 114 1HZ LYS 14 HZ1 LYS 14 -1.493 -5.660 5.004 115 2HZ LYS 14 HZ2 LYS 14 -1.236 -6.294 3.450 116 3HZ LYS 14 HZ3 LYS 14 -2.743 -5.622 3.858 117 H GLN 15 HN GLN 15 -1.268 -2.966 -2.870 118 HA GLN 15 HA GLN 15 0.939 -4.474 -4.045 119 1HB GLN 15 HB2 GLN 15 -0.059 -3.715 -6.162 120 2HB GLN 15 HB1 GLN 15 -1.323 -4.255 -5.060 121 1HG GLN 15 HG2 GLN 15 -2.318 -2.255 -5.350 122 2HG GLN 15 HG1 GLN 15 -0.968 -1.529 -4.479 123 1HE2 GLN 15 1HE2 GLN 15 -2.618 -1.371 -7.399 124 2HE2 GLN 15 2HE2 GLN 15 -1.394 -0.682 -8.354 125 H ILE 16 HN ILE 16 0.378 -1.128 -3.190 126 HA ILE 16 HA ILE 16 2.656 -0.090 -4.730 127 HB ILE 16 HB ILE 16 0.857 1.087 -2.579 128 1HG1 ILE 16 2HG1 ILE 16 0.801 1.728 -5.526 129 2HG1 ILE 16 1HG1 ILE 16 -0.082 0.338 -4.896 130 1HG2 ILE 16 1HG2 ILE 16 1.709 3.261 -3.275 131 2HG2 ILE 16 2HG2 ILE 16 2.717 2.507 -4.510 132 3HG2 ILE 16 3HG2 ILE 16 3.068 2.242 -2.803 133 1HD1 ILE 16 1HD1 ILE 16 -0.930 2.132 -3.120 134 2HD1 ILE 16 2HD1 ILE 16 -1.718 1.953 -4.687 135 3HD1 ILE 16 3HD1 ILE 16 -0.552 3.251 -4.429 136 H ASN 17 HN ASN 17 1.874 -0.883 -1.369 137 HA ASN 17 HA ASN 17 4.401 -0.022 -0.237 138 1HB ASN 17 HB2 ASN 17 1.903 -0.806 0.650 139 2HB ASN 17 HB1 ASN 17 2.913 -2.167 1.125 140 1HD2 ASN 17 1HD2 ASN 17 3.105 1.453 1.181 141 2HD2 ASN 17 2HD2 ASN 17 3.814 1.527 2.722 142 H ARG 18 HN ARG 18 3.157 -3.113 -1.498 143 HA ARG 18 HA ARG 18 5.164 -4.890 -0.608 144 1HB ARG 18 HB2 ARG 18 3.105 -5.531 -1.799 145 2HB ARG 18 HB1 ARG 18 3.695 -4.751 -3.266 146 1HG ARG 18 HG2 ARG 18 4.070 -7.192 -3.347 147 2HG ARG 18 HG1 ARG 18 5.598 -6.314 -3.342 148 1HD ARG 18 HD2 ARG 18 6.206 -7.147 -1.299 149 2HD ARG 18 HD1 ARG 18 4.559 -7.006 -0.651 150 HE ARG 18 HE ARG 18 5.539 -9.254 -2.351 151 1HH1 ARG 18 1HH2 ARG 18 2.570 -8.339 -2.499 152 2HH1 ARG 18 2HH2 ARG 18 1.844 -9.483 -1.419 153 1HH2 ARG 18 1HH1 ARG 18 4.869 -10.481 -0.026 154 2HH2 ARG 18 2HH1 ARG 18 3.152 -10.704 -0.015 155 H GLY 19 HN GLY 19 5.141 -2.928 -3.613 156 1HA GLY 19 HA2 GLY 19 7.880 -3.680 -4.293 157 2HA GLY 19 HA1 GLY 19 6.899 -2.476 -5.128 158 H LEU 20 HN LEU 20 6.325 -1.097 -2.498 159 HA LEU 20 HA LEU 20 8.583 0.739 -2.535 160 1HB LEU 20 HB2 LEU 20 6.278 1.470 -2.182 161 2HB LEU 20 HB1 LEU 20 6.135 0.429 -0.769 162 HG LEU 20 HG LEU 20 7.917 1.732 0.358 163 1HD1 LEU 20 1HD1 LEU 20 9.303 2.718 -1.194 164 2HD1 LEU 20 2HD1 LEU 20 8.220 4.080 -0.911 165 3HD1 LEU 20 3HD1 LEU 20 7.986 3.045 -2.319 166 1HD2 LEU 20 1HD2 LEU 20 5.541 2.349 0.663 167 2HD2 LEU 20 2HD2 LEU 20 5.646 3.426 -0.730 168 3HD2 LEU 20 3HD2 LEU 20 6.580 3.773 0.724 169 H LYS 21 HN LYS 21 7.495 -1.871 -0.423 170 HA LYS 21 HA LYS 21 9.131 -1.394 1.850 171 1HB LYS 21 HB2 LYS 21 7.198 -3.080 1.330 172 2HB LYS 21 HB1 LYS 21 8.501 -4.141 0.797 173 1HG LYS 21 HG2 LYS 21 9.561 -3.392 3.133 174 2HG LYS 21 HG1 LYS 21 7.862 -3.151 3.542 175 1HD LYS 21 HD2 LYS 21 7.733 -5.573 2.307 176 2HD LYS 21 HD1 LYS 21 9.342 -5.665 3.023 177 1HE LYS 21 HE2 LYS 21 8.524 -5.701 5.173 178 2HE LYS 21 HE1 LYS 21 7.176 -4.615 4.786 179 1HZ LYS 21 HZ1 LYS 21 6.595 -7.043 5.166 180 2HZ LYS 21 HZ2 LYS 21 7.352 -7.360 3.677 181 3HZ LYS 21 HZ3 LYS 21 5.997 -6.336 3.744 182 H LYS 22 HN LYS 22 9.826 -3.398 -1.039 183 HA LYS 22 HA LYS 22 12.432 -4.240 -0.219 184 1HB LYS 22 HB2 LYS 22 12.688 -4.903 -2.532 185 2HB LYS 22 HB1 LYS 22 11.004 -5.162 -2.087 186 1HG LYS 22 HG2 LYS 22 10.515 -3.964 -3.948 187 2HG LYS 22 HG1 LYS 22 10.978 -2.556 -2.996 188 1HD LYS 22 HD2 LYS 22 12.330 -2.315 -4.887 189 2HD LYS 22 HD1 LYS 22 13.409 -3.155 -3.774 190 1HE LYS 22 HE2 LYS 22 13.642 -4.446 -5.726 191 2HE LYS 22 HE1 LYS 22 12.366 -5.330 -4.871 192 1HZ LYS 22 HZ1 LYS 22 11.383 -3.099 -6.416 193 2HZ LYS 22 HZ2 LYS 22 10.831 -4.704 -6.356 194 3HZ LYS 22 HZ3 LYS 22 12.129 -4.289 -7.369 195 H ILE 23 HN ILE 23 11.323 -1.218 -1.623 196 HA ILE 23 HA ILE 23 13.978 -0.254 -2.368 197 HB ILE 23 HB ILE 23 11.294 1.103 -1.942 198 1HG1 ILE 23 2HG1 ILE 23 11.321 -0.564 -3.765 199 2HG1 ILE 23 1HG1 ILE 23 11.193 1.069 -4.414 200 1HG2 ILE 23 1HG2 ILE 23 13.915 2.127 -3.053 201 2HG2 ILE 23 2HG2 ILE 23 12.942 2.819 -1.755 202 3HG2 ILE 23 3HG2 ILE 23 12.371 2.894 -3.421 203 1HD1 ILE 23 1HD1 ILE 23 13.731 1.031 -4.670 204 2HD1 ILE 23 2HD1 ILE 23 12.842 -0.048 -5.745 205 3HD1 ILE 23 3HD1 ILE 23 13.651 -0.696 -4.319 206 H VAL 24 HN VAL 24 11.913 -0.119 0.469 207 HA VAL 24 HA VAL 24 13.584 1.855 1.868 208 HB VAL 24 HB VAL 24 11.276 0.065 2.704 209 1HG1 VAL 24 1HG1 VAL 24 11.104 1.638 4.648 210 2HG1 VAL 24 2HG1 VAL 24 12.636 2.358 4.151 211 3HG1 VAL 24 3HG1 VAL 24 12.580 0.672 4.668 212 1HG2 VAL 24 1HG2 VAL 24 9.865 1.915 2.307 213 2HG2 VAL 24 2HG2 VAL 24 10.985 1.970 0.946 214 3HG2 VAL 24 3HG2 VAL 24 11.209 3.056 2.316 215 H LEU 25 HN LEU 25 13.175 -1.639 1.733 216 HA LEU 25 HA LEU 25 14.861 -2.219 4.051 217 1HB LEU 25 HB2 LEU 25 13.776 -3.866 1.744 218 2HB LEU 25 HB1 LEU 25 14.619 -4.557 3.129 219 HG LEU 25 HG LEU 25 12.169 -2.809 3.402 220 1HD1 LEU 25 1HD1 LEU 25 11.027 -5.051 3.874 221 2HD1 LEU 25 2HD1 LEU 25 12.431 -5.809 3.124 222 3HD1 LEU 25 3HD1 LEU 25 11.412 -4.717 2.186 223 1HD2 LEU 25 1HD2 LEU 25 13.611 -4.726 5.265 224 2HD2 LEU 25 2HD2 LEU 25 12.084 -3.927 5.645 225 3HD2 LEU 25 3HD2 LEU 25 13.547 -2.969 5.413 226 H GLY 26 HN GLY 26 15.282 -2.598 0.499 227 1HA GLY 26 HA2 GLY 26 18.225 -2.299 0.929 228 2HA GLY 26 HA1 GLY 26 17.624 -3.658 -0.014 229 H TRP 27 HN TRP 27 15.868 -0.680 -0.365 230 HA TRP 27 HA TRP 27 15.573 0.699 -2.260 231 1HB TRP 27 HB2 TRP 27 18.556 0.385 -1.890 232 2HB TRP 27 HB1 TRP 27 17.902 1.457 -3.127 233 HD1 TRP 27 HD1 TRP 27 16.840 3.707 -2.374 234 HE1 TRP 27 HE1 TRP 27 16.636 4.913 -0.103 235 HE3 TRP 27 HE3 TRP 27 18.268 -0.065 0.758 236 HZ2 TRP 27 HZ2 TRP 27 17.024 4.346 2.675 237 HZ3 TRP 27 HZ3 TRP 27 18.339 0.293 3.207 238 HH2 TRP 27 HH2 TRP 27 17.721 2.492 4.169 239 H ALA 28 HN ALA 28 17.186 0.795 -4.663 240 HA ALA 28 HA ALA 28 16.402 -1.818 -5.903 241 1HB ALA 28 HB1 ALA 28 15.186 0.151 -6.691 242 2HB ALA 28 HB2 ALA 28 16.258 -0.412 -7.973 243 3HB ALA 28 HB3 ALA 28 16.702 0.994 -7.005 Start of MODEL 4 1 1H SER 1 HT1 SER 1 -21.434 7.368 5.285 2 2H SER 1 HT2 SER 1 -19.922 7.838 5.900 3 3H SER 1 HT3 SER 1 -21.295 8.791 6.198 4 HA SER 1 HA SER 1 -20.638 7.449 8.155 5 1HB SER 1 HB2 SER 1 -23.274 6.755 6.816 6 2HB SER 1 HB1 SER 1 -22.956 6.741 8.548 7 HG SER 1 HG SER 1 -23.894 8.693 8.051 8 H GLY 2 HN GLY 2 -19.197 5.719 8.195 9 1HA GLY 2 HA2 GLY 2 -18.738 3.387 8.328 10 2HA GLY 2 HA1 GLY 2 -20.248 3.065 7.473 11 H ASN 3 HN ASN 3 -20.250 3.753 5.110 12 HA ASN 3 HA ASN 3 -19.340 3.558 2.944 13 1HB ASN 3 HB2 ASN 3 -17.508 5.075 4.630 14 2HB ASN 3 HB1 ASN 3 -16.647 4.240 3.339 15 1HD2 ASN 3 1HD2 ASN 3 -17.062 4.905 1.133 16 2HD2 ASN 3 2HD2 ASN 3 -18.000 6.272 0.766 17 H TYR 4 HN TYR 4 -16.851 2.698 2.037 18 HA TYR 4 HA TYR 4 -15.958 0.289 3.432 19 1HB TYR 4 HB2 TYR 4 -16.919 -1.315 1.869 20 2HB TYR 4 HB1 TYR 4 -18.219 -0.314 2.512 21 HD1 TYR 4 HD1 TYR 4 -16.367 -1.300 -0.458 22 HD2 TYR 4 HD2 TYR 4 -19.139 1.577 1.122 23 HE1 TYR 4 HE1 TYR 4 -16.973 -0.617 -2.763 24 HE2 TYR 4 HE2 TYR 4 -19.744 2.259 -1.183 25 HH TYR 4 HH TYR 4 -19.360 0.610 -3.749 26 H VAL 5 HN VAL 5 -16.047 2.119 0.356 27 HA VAL 5 HA VAL 5 -13.800 0.843 -0.882 28 HB VAL 5 HB VAL 5 -15.539 2.303 -1.958 29 1HG1 VAL 5 1HG1 VAL 5 -15.417 4.074 -0.128 30 2HG1 VAL 5 2HG1 VAL 5 -15.438 4.687 -1.781 31 3HG1 VAL 5 3HG1 VAL 5 -13.922 4.624 -0.884 32 1HG2 VAL 5 1HG2 VAL 5 -13.739 1.934 -3.387 33 2HG2 VAL 5 2HG2 VAL 5 -12.591 2.741 -2.319 34 3HG2 VAL 5 3HG2 VAL 5 -13.723 3.694 -3.277 35 H LEU 6 HN LEU 6 -13.954 3.718 1.287 36 HA LEU 6 HA LEU 6 -11.191 4.432 1.091 37 1HB LEU 6 HB2 LEU 6 -11.623 5.616 3.211 38 2HB LEU 6 HB1 LEU 6 -12.981 5.822 2.109 39 HG LEU 6 HG LEU 6 -13.749 3.561 3.433 40 1HD1 LEU 6 1HD1 LEU 6 -12.390 5.321 5.496 41 2HD1 LEU 6 2HD1 LEU 6 -11.730 3.789 4.925 42 3HD1 LEU 6 3HD1 LEU 6 -13.264 3.817 5.793 43 1HD2 LEU 6 1HD2 LEU 6 -15.138 5.541 3.064 44 2HD2 LEU 6 2HD2 LEU 6 -14.197 6.450 4.247 45 3HD2 LEU 6 3HD2 LEU 6 -15.195 5.094 4.769 46 H ASP 7 HN ASP 7 -12.842 1.927 2.938 47 HA ASP 7 HA ASP 7 -10.562 1.223 4.616 48 1HB ASP 7 HB2 ASP 7 -13.335 0.407 4.099 49 2HB ASP 7 HB1 ASP 7 -12.279 -0.973 4.391 50 H LEU 8 HN LEU 8 -11.892 0.203 1.497 51 HA LEU 8 HA LEU 8 -10.134 -2.073 1.098 52 1HB LEU 8 HB2 LEU 8 -12.339 -0.727 -0.156 53 2HB LEU 8 HB1 LEU 8 -11.074 -0.968 -1.358 54 HG LEU 8 HG LEU 8 -11.078 -3.374 0.011 55 1HD1 LEU 8 1HD1 LEU 8 -13.160 -2.676 1.180 56 2HD1 LEU 8 2HD1 LEU 8 -13.429 -4.069 0.134 57 3HD1 LEU 8 3HD1 LEU 8 -13.950 -2.465 -0.382 58 1HD2 LEU 8 1HD2 LEU 8 -12.781 -2.788 -2.428 59 2HD2 LEU 8 2HD2 LEU 8 -11.932 -4.284 -2.037 60 3HD2 LEU 8 3HD2 LEU 8 -11.018 -2.845 -2.490 61 H ILE 9 HN ILE 9 -9.907 1.392 0.392 62 HA ILE 9 HA ILE 9 -7.854 1.464 -1.540 63 HB ILE 9 HB ILE 9 -8.499 3.201 0.861 64 1HG1 ILE 9 2HG1 ILE 9 -8.880 3.705 -2.105 65 2HG1 ILE 9 1HG1 ILE 9 -10.120 2.983 -1.084 66 1HG2 ILE 9 1HG2 ILE 9 -6.188 3.668 0.410 67 2HG2 ILE 9 2HG2 ILE 9 -7.111 4.952 -0.369 68 3HG2 ILE 9 3HG2 ILE 9 -6.454 3.630 -1.334 69 1HD1 ILE 9 1HD1 ILE 9 -9.146 5.785 -1.182 70 2HD1 ILE 9 2HD1 ILE 9 -9.491 5.142 0.423 71 3HD1 ILE 9 3HD1 ILE 9 -10.754 5.165 -0.808 72 H TYR 10 HN TYR 10 -7.692 0.620 1.859 73 HA TYR 10 HA TYR 10 -4.911 0.874 2.376 74 1HB TYR 10 HB2 TYR 10 -5.598 -0.078 4.335 75 2HB TYR 10 HB1 TYR 10 -7.211 -0.062 3.643 76 HD1 TYR 10 HD1 TYR 10 -4.347 -2.120 4.581 77 HD2 TYR 10 HD2 TYR 10 -8.130 -2.124 2.546 78 HE1 TYR 10 HE1 TYR 10 -4.389 -4.597 4.661 79 HE2 TYR 10 HE2 TYR 10 -8.171 -4.600 2.626 80 HH TYR 10 HH TYR 10 -5.574 -6.468 3.167 81 H SER 11 HN SER 11 -6.740 -1.688 0.726 82 HA SER 11 HA SER 11 -4.443 -3.454 0.353 83 1HB SER 11 HB2 SER 11 -6.987 -3.971 0.419 84 2HB SER 11 HB1 SER 11 -7.020 -3.390 -1.242 85 HG SER 11 HG SER 11 -6.679 -5.649 -1.137 86 H LEU 12 HN LEU 12 -6.150 -0.975 -1.538 87 HA LEU 12 HA LEU 12 -4.735 -1.289 -4.019 88 1HB LEU 12 HB2 LEU 12 -6.582 0.563 -2.694 89 2HB LEU 12 HB1 LEU 12 -5.447 1.402 -3.747 90 HG LEU 12 HG LEU 12 -7.093 -0.996 -4.600 91 1HD1 LEU 12 1HD1 LEU 12 -8.378 1.156 -4.020 92 2HD1 LEU 12 2HD1 LEU 12 -8.620 0.501 -5.639 93 3HD1 LEU 12 3HD1 LEU 12 -7.552 1.882 -5.398 94 1HD2 LEU 12 1HD2 LEU 12 -6.425 -0.170 -6.883 95 2HD2 LEU 12 2HD2 LEU 12 -5.062 -0.726 -5.913 96 3HD2 LEU 12 3HD2 LEU 12 -5.366 1.001 -6.098 97 H HIS 13 HN HIS 13 -4.086 0.533 -1.064 98 HA HIS 13 HA HIS 13 -1.702 1.876 -2.127 99 1HB HIS 13 HB2 HIS 13 -3.425 2.528 -0.216 100 2HB HIS 13 HB1 HIS 13 -2.363 1.545 0.790 101 HD1 HIS 13 HD1 HIS 13 -2.393 4.701 -1.267 102 HD2 HIS 13 HD2 HIS 13 0.196 2.651 1.275 103 HE1 HIS 13 HE1 HIS 13 -0.456 6.265 -0.803 104 H LYS 14 HN LYS 14 -2.441 -0.938 -0.089 105 HA LYS 14 HA LYS 14 0.138 -1.576 0.870 106 1HB LYS 14 HB2 LYS 14 -1.881 -2.654 1.649 107 2HB LYS 14 HB1 LYS 14 -2.231 -3.272 0.036 108 1HG LYS 14 HG2 LYS 14 0.429 -4.058 0.957 109 2HG LYS 14 HG1 LYS 14 -0.844 -4.622 2.041 110 1HD LYS 14 HD2 LYS 14 -0.947 -4.993 -0.964 111 2HD LYS 14 HD1 LYS 14 -0.289 -6.204 0.137 112 1HE LYS 14 HE2 LYS 14 -2.389 -6.966 0.523 113 2HE LYS 14 HE1 LYS 14 -2.830 -5.378 1.178 114 1HZ LYS 14 HZ1 LYS 14 -3.099 -4.598 -1.144 115 2HZ LYS 14 HZ2 LYS 14 -4.203 -5.820 -0.725 116 3HZ LYS 14 HZ3 LYS 14 -2.848 -6.188 -1.684 117 H GLN 15 HN GLN 15 -1.279 -2.125 -2.331 118 HA GLN 15 HA GLN 15 0.680 -3.985 -3.309 119 1HB GLN 15 HB2 GLN 15 -0.407 -3.663 -5.352 120 2HB GLN 15 HB1 GLN 15 -1.647 -3.120 -4.226 121 1HG GLN 15 HG2 GLN 15 -0.663 -0.767 -4.516 122 2HG GLN 15 HG1 GLN 15 0.230 -1.426 -5.886 123 1HE2 GLN 15 1HE2 GLN 15 -1.551 0.542 -6.553 124 2HE2 GLN 15 2HE2 GLN 15 -2.940 -0.105 -7.281 125 H ILE 16 HN ILE 16 0.670 -0.496 -2.964 126 HA ILE 16 HA ILE 16 3.164 -0.120 -4.494 127 HB ILE 16 HB ILE 16 1.397 1.682 -2.799 128 1HG1 ILE 16 2HG1 ILE 16 1.678 2.236 -5.663 129 2HG1 ILE 16 1HG1 ILE 16 1.003 0.638 -5.348 130 1HG2 ILE 16 1HG2 ILE 16 3.477 2.767 -2.707 131 2HG2 ILE 16 2HG2 ILE 16 2.734 3.485 -4.135 132 3HG2 ILE 16 3HG2 ILE 16 3.945 2.215 -4.315 133 1HD1 ILE 16 1HD1 ILE 16 -0.019 3.229 -4.146 134 2HD1 ILE 16 2HD1 ILE 16 -0.708 1.626 -3.891 135 3HD1 ILE 16 3HD1 ILE 16 -0.769 2.368 -5.490 136 H ASN 17 HN ASN 17 2.055 -0.317 -1.157 137 HA ASN 17 HA ASN 17 4.501 0.507 0.131 138 1HB ASN 17 HB2 ASN 17 1.874 -0.632 0.782 139 2HB ASN 17 HB1 ASN 17 3.149 -1.200 1.859 140 1HD2 ASN 17 1HD2 ASN 17 3.661 0.195 3.560 141 2HD2 ASN 17 2HD2 ASN 17 3.294 1.851 3.599 142 H ARG 18 HN ARG 18 3.222 -2.673 -0.889 143 HA ARG 18 HA ARG 18 5.197 -4.338 0.323 144 1HB ARG 18 HB2 ARG 18 3.434 -4.493 -2.125 145 2HB ARG 18 HB1 ARG 18 4.555 -5.802 -1.748 146 1HG ARG 18 HG2 ARG 18 2.947 -4.868 0.547 147 2HG ARG 18 HG1 ARG 18 2.011 -5.615 -0.746 148 1HD ARG 18 HD2 ARG 18 4.527 -6.966 0.221 149 2HD ARG 18 HD1 ARG 18 3.014 -7.159 1.127 150 HE ARG 18 HE ARG 18 3.449 -8.010 -1.696 151 1HH1 ARG 18 1HH1 ARG 18 2.639 -9.885 0.540 152 2HH1 ARG 18 2HH1 ARG 18 0.941 -10.063 0.247 153 1HH2 ARG 18 1HH2 ARG 18 0.741 -7.300 -1.848 154 2HH2 ARG 18 2HH2 ARG 18 -0.135 -8.599 -1.112 155 H GLY 19 HN GLY 19 5.119 -2.904 -2.970 156 1HA GLY 19 HA2 GLY 19 7.769 -3.812 -3.683 157 2HA GLY 19 HA1 GLY 19 6.853 -2.558 -4.524 158 H LEU 20 HN LEU 20 6.458 -0.791 -2.331 159 HA LEU 20 HA LEU 20 8.829 0.784 -2.365 160 1HB LEU 20 HB2 LEU 20 6.673 1.741 -1.882 161 2HB LEU 20 HB1 LEU 20 6.417 0.633 -0.536 162 HG LEU 20 HG LEU 20 8.231 1.690 0.722 163 1HD1 LEU 20 1HD1 LEU 20 9.153 3.881 -0.287 164 2HD1 LEU 20 2HD1 LEU 20 8.557 3.273 -1.831 165 3HD1 LEU 20 3HD1 LEU 20 9.782 2.369 -0.941 166 1HD2 LEU 20 1HD2 LEU 20 7.203 3.933 1.025 167 2HD2 LEU 20 2HD2 LEU 20 5.986 2.660 0.935 168 3HD2 LEU 20 3HD2 LEU 20 6.283 3.696 -0.462 169 H LYS 21 HN LYS 21 7.610 -1.530 0.040 170 HA LYS 21 HA LYS 21 9.643 -1.174 2.022 171 1HB LYS 21 HB2 LYS 21 7.417 -2.373 2.198 172 2HB LYS 21 HB1 LYS 21 8.139 -3.705 1.296 173 1HG LYS 21 HG2 LYS 21 10.012 -3.576 3.130 174 2HG LYS 21 HG1 LYS 21 8.779 -2.733 4.069 175 1HD LYS 21 HD2 LYS 21 7.356 -4.592 4.118 176 2HD LYS 21 HD1 LYS 21 8.110 -5.330 2.705 177 1HE LYS 21 HE2 LYS 21 9.930 -4.924 5.013 178 2HE LYS 21 HE1 LYS 21 8.645 -6.122 5.262 179 1HZ LYS 21 HZ1 LYS 21 9.231 -7.134 3.135 180 2HZ LYS 21 HZ2 LYS 21 10.562 -7.140 4.191 181 3HZ LYS 21 HZ3 LYS 21 10.486 -6.010 2.925 182 H LYS 22 HN LYS 22 9.481 -3.237 -0.857 183 HA LYS 22 HA LYS 22 11.869 -4.766 -0.389 184 1HB LYS 22 HB2 LYS 22 10.061 -5.316 -2.005 185 2HB LYS 22 HB1 LYS 22 10.509 -3.908 -2.968 186 1HG LYS 22 HG2 LYS 22 12.726 -5.774 -2.331 187 2HG LYS 22 HG1 LYS 22 11.490 -6.404 -3.421 188 1HD LYS 22 HD2 LYS 22 11.945 -3.803 -4.338 189 2HD LYS 22 HD1 LYS 22 13.550 -4.402 -3.927 190 1HE LYS 22 HE2 LYS 22 13.309 -5.156 -6.143 191 2HE LYS 22 HE1 LYS 22 12.752 -6.569 -5.227 192 1HZ LYS 22 HZ1 LYS 22 10.529 -5.997 -5.538 193 2HZ LYS 22 HZ2 LYS 22 11.223 -5.672 -7.054 194 3HZ LYS 22 HZ3 LYS 22 10.885 -4.399 -5.981 195 H ILE 23 HN ILE 23 11.278 -1.660 -2.004 196 HA ILE 23 HA ILE 23 13.953 -1.279 -3.010 197 HB ILE 23 HB ILE 23 11.705 0.634 -2.297 198 1HG1 ILE 23 2HG1 ILE 23 11.103 -0.989 -4.035 199 2HG1 ILE 23 1HG1 ILE 23 11.316 0.603 -4.760 200 1HG2 ILE 23 1HG2 ILE 23 14.361 1.061 -3.651 201 2HG2 ILE 23 2HG2 ILE 23 13.580 2.042 -2.411 202 3HG2 ILE 23 3HG2 ILE 23 12.975 2.070 -4.067 203 1HD1 ILE 23 1HD1 ILE 23 12.465 -0.928 -6.194 204 2HD1 ILE 23 2HD1 ILE 23 13.236 -1.735 -4.829 205 3HD1 ILE 23 3HD1 ILE 23 13.719 -0.098 -5.273 206 H VAL 24 HN VAL 24 12.313 -0.219 -0.033 207 HA VAL 24 HA VAL 24 14.617 1.178 1.056 208 HB VAL 24 HB VAL 24 12.091 0.041 2.308 209 1HG1 VAL 24 1HG1 VAL 24 13.321 0.435 4.211 210 2HG1 VAL 24 2HG1 VAL 24 12.773 2.087 3.923 211 3HG1 VAL 24 3HG1 VAL 24 14.385 1.592 3.411 212 1HG2 VAL 24 1HG2 VAL 24 12.733 2.910 1.568 213 2HG2 VAL 24 2HG2 VAL 24 11.172 2.246 2.049 214 3HG2 VAL 24 3HG2 VAL 24 11.870 1.816 0.488 215 H LEU 25 HN LEU 25 13.361 -2.102 1.221 216 HA LEU 25 HA LEU 25 15.014 -3.078 3.373 217 1HB LEU 25 HB2 LEU 25 13.040 -4.269 2.775 218 2HB LEU 25 HB1 LEU 25 13.463 -4.275 1.066 219 HG LEU 25 HG LEU 25 15.350 -5.794 1.536 220 1HD1 LEU 25 1HD1 LEU 25 15.530 -6.817 3.792 221 2HD1 LEU 25 2HD1 LEU 25 14.273 -5.725 4.373 222 3HD1 LEU 25 3HD1 LEU 25 15.826 -5.079 3.841 223 1HD2 LEU 25 1HD2 LEU 25 12.804 -6.854 2.791 224 2HD2 LEU 25 2HD2 LEU 25 14.033 -7.774 1.924 225 3HD2 LEU 25 3HD2 LEU 25 13.007 -6.636 1.054 226 H GLY 26 HN GLY 26 15.386 -3.069 -0.189 227 1HA GLY 26 HA2 GLY 26 17.861 -4.538 -0.230 228 2HA GLY 26 HA1 GLY 26 17.257 -3.521 -1.537 229 H TRP 27 HN TRP 27 17.247 -1.020 -0.629 230 HA TRP 27 HA TRP 27 18.641 0.833 -0.200 231 1HB TRP 27 HB2 TRP 27 18.605 -0.918 1.974 232 2HB TRP 27 HB1 TRP 27 20.319 -0.580 1.744 233 HD1 TRP 27 HD1 TRP 27 18.313 0.539 4.114 234 HE1 TRP 27 HE1 TRP 27 18.305 3.080 4.537 235 HE3 TRP 27 HE3 TRP 27 20.241 2.191 -0.324 236 HZ2 TRP 27 HZ2 TRP 27 19.018 5.492 3.181 237 HZ3 TRP 27 HZ3 TRP 27 20.565 4.611 -0.727 238 HH2 TRP 27 HH2 TRP 27 19.957 6.264 1.017 239 H ALA 28 HN ALA 28 21.465 0.642 0.681 240 HA ALA 28 HA ALA 28 22.717 -0.530 -1.782 241 1HB ALA 28 HB1 ALA 28 24.252 1.515 -1.570 242 2HB ALA 28 HB2 ALA 28 23.090 2.139 -0.398 243 3HB ALA 28 HB3 ALA 28 22.591 1.847 -2.065 Start of MODEL 5 1 1H SER 1 HT1 SER 1 -24.971 4.287 7.018 2 2H SER 1 HT2 SER 1 -25.918 3.450 5.884 3 3H SER 1 HT3 SER 1 -25.007 4.803 5.403 4 HA SER 1 HA SER 1 -23.930 2.173 6.298 5 1HB SER 1 HB2 SER 1 -23.143 2.184 3.906 6 2HB SER 1 HB1 SER 1 -24.897 2.174 4.062 7 HG SER 1 HG SER 1 -24.468 3.773 2.631 8 H GLY 2 HN GLY 2 -21.574 2.092 6.268 9 1HA GLY 2 HA2 GLY 2 -20.318 4.763 6.733 10 2HA GLY 2 HA1 GLY 2 -19.719 3.243 7.392 11 H ASN 3 HN ASN 3 -20.762 3.791 4.043 12 HA ASN 3 HA ASN 3 -19.608 3.560 2.008 13 1HB ASN 3 HB2 ASN 3 -18.025 5.137 3.865 14 2HB ASN 3 HB1 ASN 3 -16.980 4.269 2.740 15 1HD2 ASN 3 1HD2 ASN 3 -19.477 6.762 2.977 16 2HD2 ASN 3 2HD2 ASN 3 -19.353 7.291 1.370 17 H TYR 4 HN TYR 4 -17.110 2.678 1.325 18 HA TYR 4 HA TYR 4 -16.279 0.337 2.868 19 1HB TYR 4 HB2 TYR 4 -17.066 -1.327 1.234 20 2HB TYR 4 HB1 TYR 4 -18.425 -0.400 1.859 21 HD1 TYR 4 HD1 TYR 4 -16.407 -1.195 -1.078 22 HD2 TYR 4 HD2 TYR 4 -19.473 1.388 0.466 23 HE1 TYR 4 HE1 TYR 4 -17.013 -0.533 -3.388 24 HE2 TYR 4 HE2 TYR 4 -20.077 2.050 -1.846 25 HH TYR 4 HH TYR 4 -18.605 2.065 -4.198 26 H VAL 5 HN VAL 5 -16.168 2.062 -0.268 27 HA VAL 5 HA VAL 5 -13.823 0.805 -1.310 28 HB VAL 5 HB VAL 5 -15.442 2.255 -2.547 29 1HG1 VAL 5 1HG1 VAL 5 -15.564 3.997 -0.694 30 2HG1 VAL 5 2HG1 VAL 5 -15.413 4.641 -2.329 31 3HG1 VAL 5 3HG1 VAL 5 -14.006 4.593 -1.267 32 1HG2 VAL 5 1HG2 VAL 5 -13.461 1.925 -3.752 33 2HG2 VAL 5 2HG2 VAL 5 -12.486 2.821 -2.589 34 3HG2 VAL 5 3HG2 VAL 5 -13.563 3.683 -3.686 35 H LEU 6 HN LEU 6 -14.176 3.653 0.848 36 HA LEU 6 HA LEU 6 -11.440 4.459 0.934 37 1HB LEU 6 HB2 LEU 6 -13.491 5.618 1.880 38 2HB LEU 6 HB1 LEU 6 -13.469 4.448 3.199 39 HG LEU 6 HG LEU 6 -10.859 5.714 2.725 40 1HD1 LEU 6 1HD1 LEU 6 -12.346 7.619 2.165 41 2HD1 LEU 6 2HD1 LEU 6 -11.485 7.890 3.681 42 3HD1 LEU 6 3HD1 LEU 6 -13.181 7.405 3.705 43 1HD2 LEU 6 1HD2 LEU 6 -11.444 4.302 4.685 44 2HD2 LEU 6 2HD2 LEU 6 -12.657 5.490 5.162 45 3HD2 LEU 6 3HD2 LEU 6 -10.947 5.923 5.174 46 H ASP 7 HN ASP 7 -13.218 1.987 2.767 47 HA ASP 7 HA ASP 7 -11.049 1.203 4.506 48 1HB ASP 7 HB2 ASP 7 -13.759 0.339 3.714 49 2HB ASP 7 HB1 ASP 7 -12.705 -0.991 4.185 50 H LEU 8 HN LEU 8 -12.123 0.218 1.273 51 HA LEU 8 HA LEU 8 -10.323 -2.049 1.013 52 1HB LEU 8 HB2 LEU 8 -12.446 -0.732 -0.409 53 2HB LEU 8 HB1 LEU 8 -11.095 -0.984 -1.513 54 HG LEU 8 HG LEU 8 -11.186 -3.368 -0.106 55 1HD1 LEU 8 1HD1 LEU 8 -14.026 -2.486 -0.730 56 2HD1 LEU 8 2HD1 LEU 8 -13.354 -2.670 0.891 57 3HD1 LEU 8 3HD1 LEU 8 -13.536 -4.079 -0.153 58 1HD2 LEU 8 1HD2 LEU 8 -12.669 -2.788 -2.690 59 2HD2 LEU 8 2HD2 LEU 8 -11.935 -4.315 -2.200 60 3HD2 LEU 8 3HD2 LEU 8 -10.914 -2.930 -2.588 61 H ILE 9 HN ILE 9 -10.075 1.416 0.306 62 HA ILE 9 HA ILE 9 -7.908 1.509 -1.487 63 HB ILE 9 HB ILE 9 -8.701 3.205 0.894 64 1HG1 ILE 9 2HG1 ILE 9 -10.235 3.128 -1.059 65 2HG1 ILE 9 1HG1 ILE 9 -9.534 4.728 -0.840 66 1HG2 ILE 9 1HG2 ILE 9 -6.382 3.697 0.659 67 2HG2 ILE 9 2HG2 ILE 9 -7.219 4.976 -0.221 68 3HG2 ILE 9 3HG2 ILE 9 -6.471 3.643 -1.102 69 1HD1 ILE 9 1HD1 ILE 9 -9.102 4.516 -3.081 70 2HD1 ILE 9 2HD1 ILE 9 -9.107 2.755 -3.020 71 3HD1 ILE 9 3HD1 ILE 9 -7.683 3.650 -2.493 72 H TYR 10 HN TYR 10 -7.946 0.709 1.929 73 HA TYR 10 HA TYR 10 -5.216 0.919 2.630 74 1HB TYR 10 HB2 TYR 10 -6.063 -0.003 4.532 75 2HB TYR 10 HB1 TYR 10 -7.613 -0.039 3.708 76 HD1 TYR 10 HD1 TYR 10 -8.496 -2.130 2.760 77 HD2 TYR 10 HD2 TYR 10 -4.676 -2.020 4.721 78 HE1 TYR 10 HE1 TYR 10 -8.483 -4.602 2.870 79 HE2 TYR 10 HE2 TYR 10 -4.664 -4.496 4.829 80 HH TYR 10 HH TYR 10 -7.003 -6.354 4.729 81 H SER 11 HN SER 11 -6.920 -1.752 0.969 82 HA SER 11 HA SER 11 -4.602 -3.489 0.770 83 1HB SER 11 HB2 SER 11 -7.118 -4.030 0.621 84 2HB SER 11 HB1 SER 11 -7.047 -3.410 -1.026 85 HG SER 11 HG SER 11 -5.505 -4.993 -1.497 86 H LEU 12 HN LEU 12 -6.119 -1.062 -1.345 87 HA LEU 12 HA LEU 12 -4.476 -1.441 -3.661 88 1HB LEU 12 HB2 LEU 12 -6.645 0.068 -2.937 89 2HB LEU 12 HB1 LEU 12 -5.381 1.296 -2.959 90 HG LEU 12 HG LEU 12 -6.477 1.118 -5.159 91 1HD1 LEU 12 1HD1 LEU 12 -4.502 1.079 -6.465 92 2HD1 LEU 12 2HD1 LEU 12 -3.726 -0.103 -5.411 93 3HD1 LEU 12 3HD1 LEU 12 -3.954 1.556 -4.858 94 1HD2 LEU 12 1HD2 LEU 12 -7.006 -1.367 -4.833 95 2HD2 LEU 12 2HD2 LEU 12 -5.343 -1.683 -5.327 96 3HD2 LEU 12 3HD2 LEU 12 -6.459 -0.897 -6.442 97 H HIS 13 HN HIS 13 -4.124 0.582 -0.768 98 HA HIS 13 HA HIS 13 -1.697 1.915 -1.592 99 1HB HIS 13 HB2 HIS 13 -3.499 2.398 0.285 100 2HB HIS 13 HB1 HIS 13 -2.435 1.395 1.275 101 HD1 HIS 13 HD1 HIS 13 -2.584 4.688 -0.506 102 HD2 HIS 13 HD2 HIS 13 0.150 2.513 1.767 103 HE1 HIS 13 HE1 HIS 13 -0.673 6.266 0.022 104 H LYS 14 HN LYS 14 -2.363 -1.094 0.202 105 HA LYS 14 HA LYS 14 0.298 -1.594 1.114 106 1HB LYS 14 HB2 LYS 14 -1.858 -2.751 1.784 107 2HB LYS 14 HB1 LYS 14 -1.787 -3.620 0.252 108 1HG LYS 14 HG2 LYS 14 -0.779 -4.773 2.356 109 2HG LYS 14 HG1 LYS 14 0.161 -4.799 0.864 110 1HD LYS 14 HD2 LYS 14 1.510 -2.920 1.624 111 2HD LYS 14 HD1 LYS 14 0.509 -2.740 3.065 112 1HE LYS 14 HE2 LYS 14 1.310 -4.773 4.010 113 2HE LYS 14 HE1 LYS 14 1.985 -5.317 2.459 114 1HZ LYS 14 HZ1 LYS 14 3.670 -4.333 3.978 115 2HZ LYS 14 HZ2 LYS 14 2.846 -2.849 3.881 116 3HZ LYS 14 HZ3 LYS 14 3.553 -3.524 2.490 117 H GLN 15 HN GLN 15 -1.245 -2.021 -2.004 118 HA GLN 15 HA GLN 15 0.624 -3.792 -3.250 119 1HB GLN 15 HB2 GLN 15 -1.644 -3.050 -4.076 120 2HB GLN 15 HB1 GLN 15 -0.936 -1.480 -4.453 121 1HG GLN 15 HG2 GLN 15 0.841 -3.094 -5.709 122 2HG GLN 15 HG1 GLN 15 -0.612 -4.085 -5.842 123 1HE2 GLN 15 1HE2 GLN 15 0.326 -0.614 -6.272 124 2HE2 GLN 15 2HE2 GLN 15 -0.642 -0.379 -7.645 125 H ILE 16 HN ILE 16 0.553 -0.271 -2.865 126 HA ILE 16 HA ILE 16 3.012 0.232 -4.347 127 HB ILE 16 HB ILE 16 1.334 1.821 -2.374 128 1HG1 ILE 16 2HG1 ILE 16 1.459 2.807 -5.097 129 2HG1 ILE 16 1HG1 ILE 16 0.953 1.118 -5.082 130 1HG2 ILE 16 1HG2 ILE 16 3.381 2.933 -2.213 131 2HG2 ILE 16 2HG2 ILE 16 2.632 3.771 -3.572 132 3HG2 ILE 16 3HG2 ILE 16 3.848 2.527 -3.864 133 1HD1 ILE 16 1HD1 ILE 16 -0.734 1.721 -3.307 134 2HD1 ILE 16 2HD1 ILE 16 -1.033 2.477 -4.873 135 3HD1 ILE 16 3HD1 ILE 16 -0.312 3.413 -3.564 136 H ASN 17 HN ASN 17 2.119 -0.213 -0.953 137 HA ASN 17 HA ASN 17 4.662 0.414 0.240 138 1HB ASN 17 HB2 ASN 17 2.130 -0.143 1.079 139 2HB ASN 17 HB1 ASN 17 2.926 -1.671 1.451 140 1HD2 ASN 17 1HD2 ASN 17 2.747 1.735 2.331 141 2HD2 ASN 17 2HD2 ASN 17 3.797 1.633 3.661 142 H ARG 18 HN ARG 18 3.232 -2.644 -0.925 143 HA ARG 18 HA ARG 18 5.272 -4.440 -0.065 144 1HB ARG 18 HB2 ARG 18 3.223 -4.354 -2.270 145 2HB ARG 18 HB1 ARG 18 4.360 -5.700 -2.188 146 1HG ARG 18 HG2 ARG 18 3.107 -5.004 0.394 147 2HG ARG 18 HG1 ARG 18 1.984 -5.607 -0.824 148 1HD ARG 18 HD2 ARG 18 4.505 -7.143 -0.670 149 2HD ARG 18 HD1 ARG 18 3.500 -7.233 0.791 150 HE ARG 18 HE ARG 18 1.739 -8.218 -0.509 151 1HH1 ARG 18 1HH1 ARG 18 1.989 -6.509 -2.960 152 2HH1 ARG 18 2HH1 ARG 18 2.567 -7.636 -4.139 153 1HH2 ARG 18 1HH2 ARG 18 3.526 -10.008 -1.786 154 2HH2 ARG 18 2HH2 ARG 18 3.434 -9.627 -3.473 155 H GLY 19 HN GLY 19 4.996 -2.521 -3.073 156 1HA GLY 19 HA2 GLY 19 7.534 -3.564 -4.114 157 2HA GLY 19 HA1 GLY 19 6.543 -2.312 -4.862 158 H LEU 20 HN LEU 20 6.525 -0.970 -2.053 159 HA LEU 20 HA LEU 20 8.880 0.716 -2.546 160 1HB LEU 20 HB2 LEU 20 6.784 1.768 -2.024 161 2HB LEU 20 HB1 LEU 20 6.540 0.727 -0.624 162 HG LEU 20 HG LEU 20 8.453 1.765 0.511 163 1HD1 LEU 20 1HD1 LEU 20 9.954 2.380 -1.200 164 2HD1 LEU 20 2HD1 LEU 20 9.326 3.930 -0.643 165 3HD1 LEU 20 3HD1 LEU 20 8.702 3.207 -2.126 166 1HD2 LEU 20 1HD2 LEU 20 6.487 3.773 -0.636 167 2HD2 LEU 20 2HD2 LEU 20 7.488 4.040 0.791 168 3HD2 LEU 20 3HD2 LEU 20 6.243 2.790 0.808 169 H LYS 21 HN LYS 21 7.731 -1.512 -0.021 170 HA LYS 21 HA LYS 21 9.832 -1.042 1.863 171 1HB LYS 21 HB2 LYS 21 9.040 -3.134 2.864 172 2HB LYS 21 HB1 LYS 21 7.667 -2.174 2.321 173 1HG LYS 21 HG2 LYS 21 6.979 -4.003 1.194 174 2HG LYS 21 HG1 LYS 21 8.328 -3.730 0.096 175 1HD LYS 21 HD2 LYS 21 9.723 -5.258 1.235 176 2HD LYS 21 HD1 LYS 21 8.714 -5.236 2.680 177 1HE LYS 21 HE2 LYS 21 7.586 -6.228 0.057 178 2HE LYS 21 HE1 LYS 21 8.530 -7.306 1.103 179 1HZ LYS 21 HZ1 LYS 21 5.945 -6.019 1.616 180 2HZ LYS 21 HZ2 LYS 21 6.995 -6.226 2.935 181 3HZ LYS 21 HZ3 LYS 21 6.477 -7.572 2.037 182 H LYS 22 HN LYS 22 9.721 -3.094 -1.009 183 HA LYS 22 HA LYS 22 12.129 -4.595 -0.356 184 1HB LYS 22 HB2 LYS 22 11.895 -5.425 -2.630 185 2HB LYS 22 HB1 LYS 22 10.288 -5.314 -1.916 186 1HG LYS 22 HG2 LYS 22 9.763 -4.171 -3.811 187 2HG LYS 22 HG1 LYS 22 10.560 -2.817 -3.013 188 1HD LYS 22 HD2 LYS 22 12.064 -2.773 -4.686 189 2HD LYS 22 HD1 LYS 22 12.625 -4.365 -4.174 190 1HE LYS 22 HE2 LYS 22 11.791 -5.268 -6.075 191 2HE LYS 22 HE1 LYS 22 10.170 -4.694 -5.642 192 1HZ LYS 22 HZ1 LYS 22 10.716 -2.523 -6.523 193 2HZ LYS 22 HZ2 LYS 22 10.963 -3.697 -7.725 194 3HZ LYS 22 HZ3 LYS 22 12.291 -3.029 -6.903 195 H ILE 23 HN ILE 23 11.500 -1.466 -1.773 196 HA ILE 23 HA ILE 23 14.052 -1.145 -3.120 197 HB ILE 23 HB ILE 23 11.959 0.800 -2.083 198 1HG1 ILE 23 2HG1 ILE 23 12.537 -0.042 -4.935 199 2HG1 ILE 23 1HG1 ILE 23 11.368 -0.888 -3.922 200 1HG2 ILE 23 1HG2 ILE 23 14.203 1.331 -4.055 201 2HG2 ILE 23 2HG2 ILE 23 14.232 1.836 -2.366 202 3HG2 ILE 23 3HG2 ILE 23 13.019 2.495 -3.462 203 1HD1 ILE 23 1HD1 ILE 23 10.046 0.696 -5.056 204 2HD1 ILE 23 2HD1 ILE 23 11.278 1.952 -4.926 205 3HD1 ILE 23 3HD1 ILE 23 10.356 1.470 -3.502 206 H VAL 24 HN VAL 24 12.808 -0.401 0.108 207 HA VAL 24 HA VAL 24 15.355 0.826 0.962 208 HB VAL 24 HB VAL 24 12.697 0.205 2.290 209 1HG1 VAL 24 1HG1 VAL 24 15.254 1.330 3.426 210 2HG1 VAL 24 2HG1 VAL 24 14.185 0.107 4.112 211 3HG1 VAL 24 3HG1 VAL 24 13.691 1.800 4.095 212 1HG2 VAL 24 1HG2 VAL 24 14.005 2.869 1.674 213 2HG2 VAL 24 2HG2 VAL 24 12.339 2.584 2.176 214 3HG2 VAL 24 3HG2 VAL 24 12.878 2.073 0.576 215 H LEU 25 HN LEU 25 13.631 -2.221 1.216 216 HA LEU 25 HA LEU 25 15.284 -3.373 3.316 217 1HB LEU 25 HB2 LEU 25 13.013 -4.121 2.925 218 2HB LEU 25 HB1 LEU 25 13.370 -4.479 1.237 219 HG LEU 25 HG LEU 25 15.050 -6.180 2.032 220 1HD1 LEU 25 1HD1 LEU 25 15.476 -5.364 4.271 221 2HD1 LEU 25 2HD1 LEU 25 14.728 -6.954 4.413 222 3HD1 LEU 25 3HD1 LEU 25 13.769 -5.501 4.696 223 1HD2 LEU 25 1HD2 LEU 25 12.213 -6.610 3.020 224 2HD2 LEU 25 2HD2 LEU 25 13.363 -7.865 2.560 225 3HD2 LEU 25 3HD2 LEU 25 12.722 -6.768 1.339 226 H GLY 26 HN GLY 26 15.222 -3.665 -0.267 227 1HA GLY 26 HA2 GLY 26 18.076 -4.461 -0.188 228 2HA GLY 26 HA1 GLY 26 16.954 -5.603 -0.925 229 H TRP 27 HN TRP 27 18.506 -2.484 -1.276 230 HA TRP 27 HA TRP 27 17.188 -1.997 -3.895 231 1HB TRP 27 HB2 TRP 27 18.249 0.180 -3.723 232 2HB TRP 27 HB1 TRP 27 17.561 -0.210 -2.151 233 HD1 TRP 27 HD1 TRP 27 20.932 -0.084 -3.989 234 HE1 TRP 27 HE1 TRP 27 22.813 0.094 -2.237 235 HE3 TRP 27 HE3 TRP 27 18.200 -0.610 0.295 236 HZ2 TRP 27 HZ2 TRP 27 23.119 0.026 0.608 237 HZ3 TRP 27 HZ3 TRP 27 19.311 -0.547 2.508 238 HH2 TRP 27 HH2 TRP 27 21.764 -0.230 2.671 239 H ALA 28 HN ALA 28 18.843 -1.177 -5.654 240 HA ALA 28 HA ALA 28 21.098 -3.154 -5.794 241 1HB ALA 28 HB1 ALA 28 19.342 -3.588 -7.407 242 2HB ALA 28 HB2 ALA 28 20.708 -2.898 -8.282 243 3HB ALA 28 HB3 ALA 28 19.310 -1.894 -7.897 Start of MODEL 6 1 1H SER 1 HT1 SER 1 -24.854 2.469 -3.283 2 2H SER 1 HT2 SER 1 -24.290 4.046 -2.997 3 3H SER 1 HT3 SER 1 -23.558 2.723 -2.219 4 HA SER 1 HA SER 1 -22.969 1.874 -4.531 5 1HB SER 1 HB2 SER 1 -22.893 3.924 -6.124 6 2HB SER 1 HB1 SER 1 -24.459 3.172 -5.837 7 HG SER 1 HG SER 1 -24.650 5.394 -5.574 8 H GLY 2 HN GLY 2 -22.412 5.250 -3.402 9 1HA GLY 2 HA2 GLY 2 -19.510 4.910 -3.682 10 2HA GLY 2 HA1 GLY 2 -20.336 6.366 -3.125 11 H ASN 3 HN ASN 3 -19.455 3.067 -2.100 12 HA ASN 3 HA ASN 3 -18.787 4.056 0.595 13 1HB ASN 3 HB2 ASN 3 -21.392 3.224 0.019 14 2HB ASN 3 HB1 ASN 3 -20.659 1.815 0.782 15 1HD2 ASN 3 1HD2 ASN 3 -20.327 1.898 3.051 16 2HD2 ASN 3 2HD2 ASN 3 -20.633 3.275 3.997 17 H TYR 4 HN TYR 4 -18.061 2.093 1.984 18 HA TYR 4 HA TYR 4 -16.589 0.269 2.250 19 1HB TYR 4 HB2 TYR 4 -18.742 -0.709 1.250 20 2HB TYR 4 HB1 TYR 4 -17.892 -0.734 -0.293 21 HD1 TYR 4 HD1 TYR 4 -16.999 -1.573 3.266 22 HD2 TYR 4 HD2 TYR 4 -17.057 -2.830 -0.842 23 HE1 TYR 4 HE1 TYR 4 -15.894 -3.699 3.900 24 HE2 TYR 4 HE2 TYR 4 -15.952 -4.956 -0.207 25 HH TYR 4 HH TYR 4 -14.287 -5.500 2.239 26 H VAL 5 HN VAL 5 -15.653 2.568 0.609 27 HA VAL 5 HA VAL 5 -13.708 1.125 -1.165 28 HB VAL 5 HB VAL 5 -13.634 3.252 -2.460 29 1HG1 VAL 5 1HG1 VAL 5 -15.853 1.434 -2.227 30 2HG1 VAL 5 2HG1 VAL 5 -15.239 2.248 -3.666 31 3HG1 VAL 5 3HG1 VAL 5 -16.454 3.035 -2.658 32 1HG2 VAL 5 1HG2 VAL 5 -15.389 4.972 -1.982 33 2HG2 VAL 5 2HG2 VAL 5 -14.186 4.847 -0.700 34 3HG2 VAL 5 3HG2 VAL 5 -15.778 4.115 -0.491 35 H LEU 6 HN LEU 6 -14.092 3.870 1.118 36 HA LEU 6 HA LEU 6 -11.363 4.675 1.234 37 1HB LEU 6 HB2 LEU 6 -12.040 5.570 3.479 38 2HB LEU 6 HB1 LEU 6 -13.196 5.968 2.213 39 HG LEU 6 HG LEU 6 -13.987 3.451 3.271 40 1HD1 LEU 6 1HD1 LEU 6 -14.279 3.940 5.639 41 2HD1 LEU 6 2HD1 LEU 6 -13.528 5.523 5.437 42 3HD1 LEU 6 3HD1 LEU 6 -12.566 4.058 5.239 43 1HD2 LEU 6 1HD2 LEU 6 -16.032 4.536 3.536 44 2HD2 LEU 6 2HD2 LEU 6 -15.245 5.586 2.358 45 3HD2 LEU 6 3HD2 LEU 6 -15.280 6.042 4.061 46 H ASP 7 HN ASP 7 -13.046 1.960 2.733 47 HA ASP 7 HA ASP 7 -10.817 1.237 4.494 48 1HB ASP 7 HB2 ASP 7 -13.473 0.753 4.494 49 2HB ASP 7 HB1 ASP 7 -12.939 -0.697 3.647 50 H LEU 8 HN LEU 8 -12.285 -0.097 1.510 51 HA LEU 8 HA LEU 8 -10.392 -2.153 0.987 52 1HB LEU 8 HB2 LEU 8 -12.631 -0.924 -0.234 53 2HB LEU 8 HB1 LEU 8 -11.337 -0.889 -1.433 54 HG LEU 8 HG LEU 8 -11.597 -3.418 0.087 55 1HD1 LEU 8 1HD1 LEU 8 -13.980 -2.741 -0.338 56 2HD1 LEU 8 2HD1 LEU 8 -13.509 -4.211 -1.193 57 3HD1 LEU 8 3HD1 LEU 8 -13.611 -2.679 -2.061 58 1HD2 LEU 8 1HD2 LEU 8 -9.992 -2.969 -1.806 59 2HD2 LEU 8 2HD2 LEU 8 -11.382 -2.841 -2.885 60 3HD2 LEU 8 3HD2 LEU 8 -11.035 -4.367 -2.071 61 H ILE 9 HN ILE 9 -10.224 1.334 0.355 62 HA ILE 9 HA ILE 9 -8.129 1.508 -1.514 63 HB ILE 9 HB ILE 9 -9.046 3.106 0.861 64 1HG1 ILE 9 2HG1 ILE 9 -10.224 3.166 -1.345 65 2HG1 ILE 9 1HG1 ILE 9 -9.600 4.738 -0.857 66 1HG2 ILE 9 1HG2 ILE 9 -7.373 4.894 0.159 67 2HG2 ILE 9 2HG2 ILE 9 -6.530 3.632 -0.741 68 3HG2 ILE 9 3HG2 ILE 9 -6.689 3.510 1.012 69 1HD1 ILE 9 1HD1 ILE 9 -9.024 4.473 -3.170 70 2HD1 ILE 9 2HD1 ILE 9 -8.424 2.838 -2.900 71 3HD1 ILE 9 3HD1 ILE 9 -7.536 4.220 -2.261 72 H TYR 10 HN TYR 10 -8.003 0.619 1.889 73 HA TYR 10 HA TYR 10 -5.219 0.817 2.410 74 1HB TYR 10 HB2 TYR 10 -5.894 -0.168 4.357 75 2HB TYR 10 HB1 TYR 10 -7.515 -0.094 3.687 76 HD1 TYR 10 HD1 TYR 10 -8.692 -2.096 3.065 77 HD2 TYR 10 HD2 TYR 10 -4.512 -2.267 4.045 78 HE1 TYR 10 HE1 TYR 10 -8.799 -4.568 3.088 79 HE2 TYR 10 HE2 TYR 10 -4.621 -4.741 4.066 80 HH TYR 10 HH TYR 10 -7.022 -6.474 4.477 81 H SER 11 HN SER 11 -7.082 -1.832 0.886 82 HA SER 11 HA SER 11 -4.810 -3.578 0.445 83 1HB SER 11 HB2 SER 11 -7.394 -4.005 0.472 84 2HB SER 11 HB1 SER 11 -7.330 -3.505 -1.216 85 HG SER 11 HG SER 11 -7.031 -5.837 -0.684 86 H LEU 12 HN LEU 12 -6.192 -0.843 -1.258 87 HA LEU 12 HA LEU 12 -4.780 -1.324 -3.778 88 1HB LEU 12 HB2 LEU 12 -6.795 0.448 -2.646 89 2HB LEU 12 HB1 LEU 12 -5.608 1.366 -3.571 90 HG LEU 12 HG LEU 12 -7.164 -1.038 -4.565 91 1HD1 LEU 12 1HD1 LEU 12 -8.295 0.560 -6.014 92 2HD1 LEU 12 2HD1 LEU 12 -7.293 1.875 -5.400 93 3HD1 LEU 12 3HD1 LEU 12 -8.462 1.089 -4.340 94 1HD2 LEU 12 1HD2 LEU 12 -6.121 -0.139 -6.793 95 2HD2 LEU 12 2HD2 LEU 12 -5.123 -1.131 -5.732 96 3HD2 LEU 12 3HD2 LEU 12 -4.935 0.622 -5.734 97 H HIS 13 HN HIS 13 -3.987 0.014 -0.715 98 HA HIS 13 HA HIS 13 -1.769 1.675 -1.805 99 1HB HIS 13 HB2 HIS 13 -3.538 2.264 0.074 100 2HB HIS 13 HB1 HIS 13 -2.444 1.341 1.104 101 HD1 HIS 13 HD1 HIS 13 -2.750 4.560 -0.734 102 HD2 HIS 13 HD2 HIS 13 0.208 2.472 1.331 103 HE1 HIS 13 HE1 HIS 13 -0.845 6.191 -0.366 104 H LYS 14 HN LYS 14 -2.395 -1.254 0.099 105 HA LYS 14 HA LYS 14 0.224 -1.698 1.123 106 1HB LYS 14 HB2 LYS 14 -0.562 -3.999 1.399 107 2HB LYS 14 HB1 LYS 14 -1.882 -2.888 1.760 108 1HG LYS 14 HG2 LYS 14 -3.062 -4.199 0.319 109 2HG LYS 14 HG1 LYS 14 -2.242 -3.253 -0.921 110 1HD LYS 14 HD2 LYS 14 -0.971 -5.007 -1.581 111 2HD LYS 14 HD1 LYS 14 -0.628 -5.491 0.080 112 1HE LYS 14 HE2 LYS 14 -2.759 -6.646 0.254 113 2HE LYS 14 HE1 LYS 14 -3.269 -6.026 -1.328 114 1HZ LYS 14 HZ1 LYS 14 -1.535 -7.202 -2.402 115 2HZ LYS 14 HZ2 LYS 14 -2.279 -8.318 -1.360 116 3HZ LYS 14 HZ3 LYS 14 -0.791 -7.617 -0.933 117 H GLN 15 HN GLN 15 -1.110 -2.213 -2.097 118 HA GLN 15 HA GLN 15 0.959 -3.953 -3.097 119 1HB GLN 15 HB2 GLN 15 0.049 -3.280 -5.295 120 2HB GLN 15 HB1 GLN 15 -1.255 -3.615 -4.158 121 1HG GLN 15 HG2 GLN 15 -1.295 -1.112 -3.661 122 2HG GLN 15 HG1 GLN 15 -0.226 -0.909 -5.048 123 1HE2 GLN 15 1HE2 GLN 15 -1.658 0.026 -6.574 124 2HE2 GLN 15 2HE2 GLN 15 -3.097 -0.712 -7.089 125 H ILE 16 HN ILE 16 0.646 -0.433 -2.892 126 HA ILE 16 HA ILE 16 3.089 0.142 -4.376 127 HB ILE 16 HB ILE 16 1.319 1.735 -2.487 128 1HG1 ILE 16 2HG1 ILE 16 1.387 2.606 -5.244 129 2HG1 ILE 16 1HG1 ILE 16 0.997 0.887 -5.171 130 1HG2 ILE 16 1HG2 ILE 16 3.237 3.022 -2.378 131 2HG2 ILE 16 2HG2 ILE 16 2.559 3.651 -3.880 132 3HG2 ILE 16 3HG2 ILE 16 3.842 2.442 -3.930 133 1HD1 ILE 16 1HD1 ILE 16 -0.436 3.158 -3.774 134 2HD1 ILE 16 2HD1 ILE 16 -0.721 1.459 -3.396 135 3HD1 ILE 16 3HD1 ILE 16 -1.083 2.077 -5.008 136 H ASN 17 HN ASN 17 2.185 -0.335 -1.006 137 HA ASN 17 HA ASN 17 4.667 0.503 0.209 138 1HB ASN 17 HB2 ASN 17 2.172 -0.152 1.051 139 2HB ASN 17 HB1 ASN 17 3.010 -1.657 1.421 140 1HD2 ASN 17 1HD2 ASN 17 2.834 1.788 2.232 141 2HD2 ASN 17 2HD2 ASN 17 3.837 1.694 3.598 142 H ARG 18 HN ARG 18 3.401 -2.670 -0.851 143 HA ARG 18 HA ARG 18 5.495 -4.360 0.020 144 1HB ARG 18 HB2 ARG 18 3.691 -4.366 -2.418 145 2HB ARG 18 HB1 ARG 18 4.753 -5.718 -2.030 146 1HG ARG 18 HG2 ARG 18 3.244 -4.870 0.306 147 2HG ARG 18 HG1 ARG 18 2.169 -5.282 -1.029 148 1HD ARG 18 HD2 ARG 18 2.654 -7.502 -0.869 149 2HD ARG 18 HD1 ARG 18 4.391 -7.191 -0.691 150 HE ARG 18 HE ARG 18 3.167 -6.289 1.692 151 1HH1 ARG 18 1HH1 ARG 18 5.360 -8.359 1.519 152 2HH1 ARG 18 2HH1 ARG 18 4.587 -9.749 2.205 153 1HH2 ARG 18 1HH2 ARG 18 1.381 -8.443 1.887 154 2HH2 ARG 18 2HH2 ARG 18 2.323 -9.796 2.415 155 H GLY 19 HN GLY 19 5.194 -2.722 -3.168 156 1HA GLY 19 HA2 GLY 19 7.802 -3.493 -4.105 157 2HA GLY 19 HA1 GLY 19 6.836 -2.165 -4.757 158 H LEU 20 HN LEU 20 6.588 -0.680 -2.317 159 HA LEU 20 HA LEU 20 9.025 0.856 -2.349 160 1HB LEU 20 HB2 LEU 20 6.874 1.848 -1.859 161 2HB LEU 20 HB1 LEU 20 6.601 0.722 -0.534 162 HG LEU 20 HG LEU 20 8.510 1.703 0.692 163 1HD1 LEU 20 1HD1 LEU 20 8.620 3.534 -1.722 164 2HD1 LEU 20 2HD1 LEU 20 9.895 2.468 -1.135 165 3HD1 LEU 20 3HD1 LEU 20 9.429 3.886 -0.195 166 1HD2 LEU 20 1HD2 LEU 20 6.255 2.606 1.067 167 2HD2 LEU 20 2HD2 LEU 20 6.466 3.726 -0.278 168 3HD2 LEU 20 3HD2 LEU 20 7.452 3.895 1.174 169 H LYS 21 HN LYS 21 7.826 -1.754 -0.326 170 HA LYS 21 HA LYS 21 9.636 -1.492 1.882 171 1HB LYS 21 HB2 LYS 21 7.446 -2.911 1.434 172 2HB LYS 21 HB1 LYS 21 8.601 -4.135 0.909 173 1HG LYS 21 HG2 LYS 21 8.268 -4.550 3.229 174 2HG LYS 21 HG1 LYS 21 9.820 -3.716 3.127 175 1HD LYS 21 HD2 LYS 21 8.687 -1.571 3.621 176 2HD LYS 21 HD1 LYS 21 7.151 -2.427 3.766 177 1HE LYS 21 HE2 LYS 21 7.880 -3.616 5.713 178 2HE LYS 21 HE1 LYS 21 9.572 -3.148 5.450 179 1HZ LYS 21 HZ1 LYS 21 8.364 -1.758 7.125 180 2HZ LYS 21 HZ2 LYS 21 7.377 -1.186 5.866 181 3HZ LYS 21 HZ3 LYS 21 9.050 -0.879 5.848 182 H LYS 22 HN LYS 22 9.755 -3.823 -0.831 183 HA LYS 22 HA LYS 22 12.341 -4.856 -0.273 184 1HB LYS 22 HB2 LYS 22 12.244 -5.668 -2.594 185 2HB LYS 22 HB1 LYS 22 10.671 -5.842 -1.819 186 1HG LYS 22 HG2 LYS 22 9.765 -4.653 -3.498 187 2HG LYS 22 HG1 LYS 22 10.696 -3.257 -2.962 188 1HD LYS 22 HD2 LYS 22 12.178 -3.443 -4.665 189 2HD LYS 22 HD1 LYS 22 12.287 -5.194 -4.492 190 1HE LYS 22 HE2 LYS 22 9.664 -4.571 -5.476 191 2HE LYS 22 HE1 LYS 22 10.856 -3.732 -6.486 192 1HZ LYS 22 HZ1 LYS 22 10.494 -6.049 -7.199 193 2HZ LYS 22 HZ2 LYS 22 11.029 -6.592 -5.681 194 3HZ LYS 22 HZ3 LYS 22 12.096 -5.770 -6.717 195 H ILE 23 HN ILE 23 11.428 -1.847 -1.852 196 HA ILE 23 HA ILE 23 14.012 -1.305 -3.064 197 HB ILE 23 HB ILE 23 11.597 0.352 -2.283 198 1HG1 ILE 23 2HG1 ILE 23 12.737 -0.251 -5.024 199 2HG1 ILE 23 1HG1 ILE 23 11.567 -1.310 -4.236 200 1HG2 ILE 23 1HG2 ILE 23 13.334 1.955 -2.153 201 2HG2 ILE 23 2HG2 ILE 23 12.747 2.105 -3.809 202 3HG2 ILE 23 3HG2 ILE 23 14.233 1.216 -3.478 203 1HD1 ILE 23 1HD1 ILE 23 10.253 0.986 -3.903 204 2HD1 ILE 23 2HD1 ILE 23 10.114 0.061 -5.397 205 3HD1 ILE 23 3HD1 ILE 23 11.196 1.451 -5.318 206 H VAL 24 HN VAL 24 12.413 -0.234 -0.063 207 HA VAL 24 HA VAL 24 14.708 1.213 0.967 208 HB VAL 24 HB VAL 24 12.203 0.053 2.240 209 1HG1 VAL 24 1HG1 VAL 24 12.774 1.887 3.997 210 2HG1 VAL 24 2HG1 VAL 24 14.413 1.780 3.351 211 3HG1 VAL 24 3HG1 VAL 24 13.654 0.360 4.071 212 1HG2 VAL 24 1HG2 VAL 24 11.972 1.856 0.464 213 2HG2 VAL 24 2HG2 VAL 24 12.874 2.926 1.538 214 3HG2 VAL 24 3HG2 VAL 24 11.311 2.283 2.043 215 H LEU 25 HN LEU 25 13.497 -2.081 1.238 216 HA LEU 25 HA LEU 25 15.142 -3.037 3.371 217 1HB LEU 25 HB2 LEU 25 13.203 -4.233 2.528 218 2HB LEU 25 HB1 LEU 25 13.912 -4.338 0.919 219 HG LEU 25 HG LEU 25 15.730 -5.749 1.809 220 1HD1 LEU 25 1HD1 LEU 25 15.954 -5.024 4.065 221 2HD1 LEU 25 2HD1 LEU 25 15.326 -6.667 4.178 222 3HD1 LEU 25 3HD1 LEU 25 14.244 -5.294 4.403 223 1HD2 LEU 25 1HD2 LEU 25 12.860 -6.551 2.254 224 2HD2 LEU 25 2HD2 LEU 25 14.166 -7.686 2.595 225 3HD2 LEU 25 3HD2 LEU 25 13.959 -7.044 0.966 226 H GLY 26 HN GLY 26 15.727 -2.739 -0.131 227 1HA GLY 26 HA2 GLY 26 18.319 -4.085 0.001 228 2HA GLY 26 HA1 GLY 26 17.656 -3.250 -1.402 229 H TRP 27 HN TRP 27 17.257 -0.685 -0.478 230 HA TRP 27 HA TRP 27 19.944 0.179 0.551 231 1HB TRP 27 HB2 TRP 27 18.351 1.209 -1.819 232 2HB TRP 27 HB1 TRP 27 19.786 2.009 -1.180 233 HD1 TRP 27 HD1 TRP 27 22.131 0.790 -1.491 234 HE1 TRP 27 HE1 TRP 27 22.906 -1.062 -3.110 235 HE3 TRP 27 HE3 TRP 27 17.599 -0.935 -3.091 236 HZ2 TRP 27 HZ2 TRP 27 21.752 -3.017 -4.853 237 HZ3 TRP 27 HZ3 TRP 27 17.464 -2.790 -4.727 238 HH2 TRP 27 HH2 TRP 27 19.534 -3.833 -5.609 239 H ALA 28 HN ALA 28 19.830 1.806 2.082 240 HA ALA 28 HA ALA 28 17.195 3.193 2.466 241 1HB ALA 28 HB1 ALA 28 17.779 3.017 4.934 242 2HB ALA 28 HB2 ALA 28 19.105 1.951 4.467 243 3HB ALA 28 HB3 ALA 28 17.437 1.476 4.146 Start of MODEL 7 1 1H SER 1 HT1 SER 1 -15.742 1.545 7.615 2 2H SER 1 HT2 SER 1 -14.900 1.173 9.043 3 3H SER 1 HT3 SER 1 -14.387 2.462 8.062 4 HA SER 1 HA SER 1 -17.033 2.392 9.427 5 1HB SER 1 HB2 SER 1 -14.757 2.352 10.773 6 2HB SER 1 HB1 SER 1 -14.664 4.038 10.275 7 HG SER 1 HG SER 1 -15.766 3.958 12.206 8 H GLY 2 HN GLY 2 -18.295 4.152 8.836 9 1HA GLY 2 HA2 GLY 2 -18.821 6.291 7.960 10 2HA GLY 2 HA1 GLY 2 -17.103 6.563 7.668 11 H ASN 3 HN ASN 3 -16.139 5.436 5.784 12 HA ASN 3 HA ASN 3 -18.152 5.054 3.587 13 1HB ASN 3 HB2 ASN 3 -15.739 6.628 3.922 14 2HB ASN 3 HB1 ASN 3 -15.566 5.537 2.548 15 1HD2 ASN 3 1HD2 ASN 3 -17.099 5.781 0.746 16 2HD2 ASN 3 2HD2 ASN 3 -18.039 7.184 0.586 17 H TYR 4 HN TYR 4 -17.051 3.641 1.743 18 HA TYR 4 HA TYR 4 -15.918 1.204 3.067 19 1HB TYR 4 HB2 TYR 4 -17.156 -0.053 1.504 20 2HB TYR 4 HB1 TYR 4 -18.224 1.303 1.849 21 HD1 TYR 4 HD1 TYR 4 -15.985 -0.238 -0.632 22 HD2 TYR 4 HD2 TYR 4 -18.577 3.088 0.198 23 HE1 TYR 4 HE1 TYR 4 -15.979 0.369 -3.036 24 HE2 TYR 4 HE2 TYR 4 -18.568 3.692 -2.206 25 HH TYR 4 HH TYR 4 -18.052 2.031 -4.518 26 H VAL 5 HN VAL 5 -15.477 3.451 0.347 27 HA VAL 5 HA VAL 5 -13.401 1.983 -0.997 28 HB VAL 5 HB VAL 5 -14.786 3.855 -1.927 29 1HG1 VAL 5 1HG1 VAL 5 -12.964 5.637 -0.283 30 2HG1 VAL 5 2HG1 VAL 5 -14.654 5.315 0.105 31 3HG1 VAL 5 3HG1 VAL 5 -14.237 6.162 -1.385 32 1HG2 VAL 5 1HG2 VAL 5 -11.988 4.842 -2.172 33 2HG2 VAL 5 2HG2 VAL 5 -13.149 4.425 -3.432 34 3HG2 VAL 5 3HG2 VAL 5 -12.268 3.151 -2.589 35 H LEU 6 HN LEU 6 -13.296 4.390 1.647 36 HA LEU 6 HA LEU 6 -10.464 4.788 1.724 37 1HB LEU 6 HB2 LEU 6 -12.826 5.146 3.472 38 2HB LEU 6 HB1 LEU 6 -11.306 4.956 4.344 39 HG LEU 6 HG LEU 6 -11.743 7.330 3.867 40 1HD1 LEU 6 1HD1 LEU 6 -9.582 7.861 3.127 41 2HD1 LEU 6 2HD1 LEU 6 -9.538 6.517 1.987 42 3HD1 LEU 6 3HD1 LEU 6 -9.387 6.212 3.717 43 1HD2 LEU 6 1HD2 LEU 6 -11.589 6.537 0.943 44 2HD2 LEU 6 2HD2 LEU 6 -11.857 8.158 1.583 45 3HD2 LEU 6 3HD2 LEU 6 -13.090 6.914 1.791 46 H ASP 7 HN ASP 7 -12.535 2.353 3.316 47 HA ASP 7 HA ASP 7 -10.414 1.005 4.735 48 1HB ASP 7 HB2 ASP 7 -13.235 0.849 4.376 49 2HB ASP 7 HB1 ASP 7 -12.587 -0.736 3.960 50 H LEU 8 HN LEU 8 -11.780 0.700 1.477 51 HA LEU 8 HA LEU 8 -10.386 -1.751 0.769 52 1HB LEU 8 HB2 LEU 8 -12.311 0.083 -0.309 53 2HB LEU 8 HB1 LEU 8 -11.047 -0.168 -1.512 54 HG LEU 8 HG LEU 8 -11.474 -2.718 -0.494 55 1HD1 LEU 8 1HD1 LEU 8 -13.505 -1.875 0.662 56 2HD1 LEU 8 2HD1 LEU 8 -13.904 -3.050 -0.589 57 3HD1 LEU 8 3HD1 LEU 8 -14.145 -1.330 -0.889 58 1HD2 LEU 8 1HD2 LEU 8 -11.158 -1.889 -2.885 59 2HD2 LEU 8 2HD2 LEU 8 -12.886 -1.541 -2.905 60 3HD2 LEU 8 3HD2 LEU 8 -12.322 -3.198 -2.690 61 H ILE 9 HN ILE 9 -9.591 1.698 0.573 62 HA ILE 9 HA ILE 9 -7.479 1.712 -1.294 63 HB ILE 9 HB ILE 9 -7.976 3.157 1.319 64 1HG1 ILE 9 2HG1 ILE 9 -9.417 3.461 -0.802 65 2HG1 ILE 9 1HG1 ILE 9 -8.778 4.920 -0.049 66 1HG2 ILE 9 1HG2 ILE 9 -5.615 3.329 1.120 67 2HG2 ILE 9 2HG2 ILE 9 -6.238 4.820 0.414 68 3HG2 ILE 9 3HG2 ILE 9 -5.695 3.509 -0.633 69 1HD1 ILE 9 1HD1 ILE 9 -7.317 3.507 -2.286 70 2HD1 ILE 9 2HD1 ILE 9 -7.077 5.152 -1.697 71 3HD1 ILE 9 3HD1 ILE 9 -8.535 4.744 -2.600 72 H TYR 10 HN TYR 10 -7.579 0.406 1.960 73 HA TYR 10 HA TYR 10 -4.831 0.121 2.576 74 1HB TYR 10 HB2 TYR 10 -5.753 -0.964 4.354 75 2HB TYR 10 HB1 TYR 10 -7.310 -0.616 3.620 76 HD1 TYR 10 HD1 TYR 10 -4.752 -3.183 4.223 77 HD2 TYR 10 HD2 TYR 10 -8.523 -2.357 2.341 78 HE1 TYR 10 HE1 TYR 10 -5.150 -5.614 3.948 79 HE2 TYR 10 HE2 TYR 10 -8.921 -4.784 2.067 80 HH TYR 10 HH TYR 10 -7.759 -7.024 3.608 81 H SER 11 HN SER 11 -6.938 -1.960 0.578 82 HA SER 11 HA SER 11 -4.924 -3.990 0.060 83 1HB SER 11 HB2 SER 11 -7.469 -4.158 -0.086 84 2HB SER 11 HB1 SER 11 -7.366 -3.239 -1.584 85 HG SER 11 HG SER 11 -6.058 -4.892 -2.430 86 H LEU 12 HN LEU 12 -6.096 -1.104 -1.673 87 HA LEU 12 HA LEU 12 -4.501 -1.390 -4.038 88 1HB LEU 12 HB2 LEU 12 -6.411 0.358 -2.950 89 2HB LEU 12 HB1 LEU 12 -4.976 1.356 -3.164 90 HG LEU 12 HG LEU 12 -6.390 1.386 -5.183 91 1HD1 LEU 12 1HD1 LEU 12 -3.814 1.419 -5.244 92 2HD1 LEU 12 2HD1 LEU 12 -4.643 1.043 -6.754 93 3HD1 LEU 12 3HD1 LEU 12 -3.926 -0.252 -5.796 94 1HD2 LEU 12 1HD2 LEU 12 -6.953 -0.562 -6.395 95 2HD2 LEU 12 2HD2 LEU 12 -7.192 -1.042 -4.715 96 3HD2 LEU 12 3HD2 LEU 12 -5.732 -1.534 -5.573 97 H HIS 13 HN HIS 13 -3.929 0.264 -0.947 98 HA HIS 13 HA HIS 13 -1.347 1.356 -1.618 99 1HB HIS 13 HB2 HIS 13 -3.112 1.748 0.356 100 2HB HIS 13 HB1 HIS 13 -2.075 0.583 1.181 101 HD1 HIS 13 HD1 HIS 13 0.420 1.267 1.587 102 HD2 HIS 13 HD2 HIS 13 -1.906 4.273 -0.125 103 HE1 HIS 13 HE1 HIS 13 1.756 3.411 1.786 104 H LYS 14 HN LYS 14 -2.394 -1.739 -0.196 105 HA LYS 14 HA LYS 14 0.150 -2.728 0.623 106 1HB LYS 14 HB2 LYS 14 -2.041 -3.732 1.180 107 2HB LYS 14 HB1 LYS 14 -2.275 -4.164 -0.513 108 1HG LYS 14 HG2 LYS 14 -1.444 -6.070 0.891 109 2HG LYS 14 HG1 LYS 14 -0.373 -5.673 -0.452 110 1HD LYS 14 HD2 LYS 14 1.203 -4.622 0.954 111 2HD LYS 14 HD1 LYS 14 0.044 -4.448 2.272 112 1HE LYS 14 HE2 LYS 14 0.003 -6.943 2.518 113 2HE LYS 14 HE1 LYS 14 1.276 -7.047 1.285 114 1HZ LYS 14 HZ1 LYS 14 1.447 -5.452 3.791 115 2HZ LYS 14 HZ2 LYS 14 2.667 -5.605 2.617 116 3HZ LYS 14 HZ3 LYS 14 2.200 -6.950 3.543 117 H GLN 15 HN GLN 15 -1.376 -2.541 -2.541 118 HA GLN 15 HA GLN 15 0.518 -4.260 -3.928 119 1HB GLN 15 HB2 GLN 15 -1.498 -2.159 -4.768 120 2HB GLN 15 HB1 GLN 15 -0.572 -3.109 -5.929 121 1HG GLN 15 HG2 GLN 15 -1.476 -5.191 -4.953 122 2HG GLN 15 HG1 GLN 15 -2.410 -4.240 -3.797 123 1HE2 GLN 15 1HE2 GLN 15 -1.990 -4.707 -7.345 124 2HE2 GLN 15 2HE2 GLN 15 -3.588 -4.289 -7.736 125 H ILE 16 HN ILE 16 0.449 -0.919 -2.960 126 HA ILE 16 HA ILE 16 2.709 -0.157 -4.726 127 HB ILE 16 HB ILE 16 0.956 1.308 -2.725 128 1HG1 ILE 16 2HG1 ILE 16 1.024 1.917 -5.649 129 2HG1 ILE 16 1HG1 ILE 16 0.209 0.436 -5.147 130 1HG2 ILE 16 1HG2 ILE 16 3.271 2.239 -4.417 131 2HG2 ILE 16 2HG2 ILE 16 2.957 2.552 -2.711 132 3HG2 ILE 16 3HG2 ILE 16 1.986 3.353 -3.947 133 1HD1 ILE 16 1HD1 ILE 16 -0.828 2.121 -3.323 134 2HD1 ILE 16 2HD1 ILE 16 -1.563 1.877 -4.908 135 3HD1 ILE 16 3HD1 ILE 16 -0.525 3.274 -4.624 136 H ASN 17 HN ASN 17 1.925 -0.681 -1.323 137 HA ASN 17 HA ASN 17 4.510 0.181 -0.294 138 1HB ASN 17 HB2 ASN 17 1.945 -0.443 0.669 139 2HB ASN 17 HB1 ASN 17 3.007 -1.647 1.395 140 1HD2 ASN 17 1HD2 ASN 17 3.101 1.918 0.728 141 2HD2 ASN 17 2HD2 ASN 17 3.785 2.316 2.231 142 H ARG 18 HN ARG 18 3.071 -2.949 -1.228 143 HA ARG 18 HA ARG 18 4.970 -4.717 -0.102 144 1HB ARG 18 HB2 ARG 18 4.212 -6.273 -1.823 145 2HB ARG 18 HB1 ARG 18 2.839 -5.308 -1.290 146 1HG ARG 18 HG2 ARG 18 3.103 -3.833 -3.248 147 2HG ARG 18 HG1 ARG 18 4.497 -4.776 -3.776 148 1HD ARG 18 HD2 ARG 18 2.982 -6.812 -3.849 149 2HD ARG 18 HD1 ARG 18 1.616 -5.710 -3.591 150 HE ARG 18 HE ARG 18 2.527 -4.458 -5.656 151 1HH1 ARG 18 1HH2 ARG 18 4.750 -6.691 -5.717 152 2HH1 ARG 18 2HH2 ARG 18 4.209 -7.594 -7.093 153 1HH2 ARG 18 1HH1 ARG 18 1.070 -6.103 -7.163 154 2HH2 ARG 18 2HH1 ARG 18 2.118 -7.261 -7.915 155 H GLY 19 HN GLY 19 5.203 -2.786 -3.081 156 1HA GLY 19 HA2 GLY 19 7.871 -3.909 -3.688 157 2HA GLY 19 HA1 GLY 19 6.993 -2.733 -4.671 158 H LEU 20 HN LEU 20 6.372 -0.961 -2.438 159 HA LEU 20 HA LEU 20 8.671 0.743 -2.467 160 1HB LEU 20 HB2 LEU 20 6.384 1.538 -2.175 161 2HB LEU 20 HB1 LEU 20 6.217 0.601 -0.692 162 HG LEU 20 HG LEU 20 7.969 1.947 0.381 163 1HD1 LEU 20 1HD1 LEU 20 8.522 4.131 -1.016 164 2HD1 LEU 20 2HD1 LEU 20 8.175 3.079 -2.388 165 3HD1 LEU 20 3HD1 LEU 20 9.459 2.657 -1.255 166 1HD2 LEU 20 1HD2 LEU 20 6.718 4.033 0.561 167 2HD2 LEU 20 2HD2 LEU 20 5.582 2.690 0.444 168 3HD2 LEU 20 3HD2 LEU 20 5.894 3.706 -0.963 169 H LYS 21 HN LYS 21 7.408 -1.461 0.045 170 HA LYS 21 HA LYS 21 9.326 -0.830 2.069 171 1HB LYS 21 HB2 LYS 21 8.513 -2.848 3.117 172 2HB LYS 21 HB1 LYS 21 7.150 -2.111 2.280 173 1HG LYS 21 HG2 LYS 21 7.663 -3.633 0.317 174 2HG LYS 21 HG1 LYS 21 8.814 -4.469 1.359 175 1HD LYS 21 HD2 LYS 21 5.996 -4.037 2.312 176 2HD LYS 21 HD1 LYS 21 6.344 -5.354 1.191 177 1HE LYS 21 HE2 LYS 21 8.351 -5.369 3.255 178 2HE LYS 21 HE1 LYS 21 6.746 -5.343 4.012 179 1HZ LYS 21 HZ1 LYS 21 6.050 -7.169 2.658 180 2HZ LYS 21 HZ2 LYS 21 7.521 -7.609 3.387 181 3HZ LYS 21 HZ3 LYS 21 7.488 -7.133 1.756 182 H LYS 22 HN LYS 22 9.502 -2.954 -0.728 183 HA LYS 22 HA LYS 22 11.937 -4.337 0.064 184 1HB LYS 22 HB2 LYS 22 10.458 -5.386 -1.498 185 2HB LYS 22 HB1 LYS 22 10.373 -3.938 -2.498 186 1HG LYS 22 HG2 LYS 22 13.121 -4.866 -2.193 187 2HG LYS 22 HG1 LYS 22 12.085 -6.116 -2.881 188 1HD LYS 22 HD2 LYS 22 11.924 -5.020 -4.849 189 2HD LYS 22 HD1 LYS 22 11.519 -3.504 -4.044 190 1HE LYS 22 HE2 LYS 22 14.007 -3.275 -3.488 191 2HE LYS 22 HE1 LYS 22 14.282 -4.611 -4.625 192 1HZ LYS 22 HZ1 LYS 22 14.310 -2.259 -5.576 193 2HZ LYS 22 HZ2 LYS 22 12.624 -2.266 -5.355 194 3HZ LYS 22 HZ3 LYS 22 13.354 -3.407 -6.383 195 H ILE 23 HN ILE 23 11.173 -1.454 -1.850 196 HA ILE 23 HA ILE 23 13.799 -0.951 -2.895 197 HB ILE 23 HB ILE 23 11.426 0.826 -2.236 198 1HG1 ILE 23 2HG1 ILE 23 12.431 -0.132 -4.928 199 2HG1 ILE 23 1HG1 ILE 23 11.236 -1.027 -3.992 200 1HG2 ILE 23 1HG2 ILE 23 12.478 2.489 -3.744 201 2HG2 ILE 23 2HG2 ILE 23 13.906 1.461 -3.869 202 3HG2 ILE 23 3HG2 ILE 23 13.474 2.188 -2.320 203 1HD1 ILE 23 1HD1 ILE 23 10.023 1.322 -3.885 204 2HD1 ILE 23 2HD1 ILE 23 9.849 0.295 -5.307 205 3HD1 ILE 23 3HD1 ILE 23 10.983 1.645 -5.329 206 H VAL 24 HN VAL 24 12.161 0.122 0.076 207 HA VAL 24 HA VAL 24 14.439 1.683 1.033 208 HB VAL 24 HB VAL 24 11.932 0.631 2.395 209 1HG1 VAL 24 1HG1 VAL 24 13.205 1.267 4.214 210 2HG1 VAL 24 2HG1 VAL 24 12.530 2.838 3.781 211 3HG1 VAL 24 3HG1 VAL 24 14.165 2.412 3.277 212 1HG2 VAL 24 1HG2 VAL 24 12.506 2.916 0.599 213 2HG2 VAL 24 2HG2 VAL 24 11.592 3.324 2.050 214 3HG2 VAL 24 3HG2 VAL 24 10.976 2.105 0.936 215 H LEU 25 HN LEU 25 13.150 -1.562 1.564 216 HA LEU 25 HA LEU 25 14.785 -2.331 3.789 217 1HB LEU 25 HB2 LEU 25 12.821 -3.575 3.185 218 2HB LEU 25 HB1 LEU 25 13.395 -3.806 1.535 219 HG LEU 25 HG LEU 25 15.239 -5.214 2.368 220 1HD1 LEU 25 1HD1 LEU 25 14.013 -4.500 5.033 221 2HD1 LEU 25 2HD1 LEU 25 15.702 -4.385 4.537 222 3HD1 LEU 25 3HD1 LEU 25 14.975 -5.964 4.834 223 1HD2 LEU 25 1HD2 LEU 25 12.982 -6.183 1.806 224 2HD2 LEU 25 2HD2 LEU 25 12.582 -6.110 3.521 225 3HD2 LEU 25 3HD2 LEU 25 13.899 -7.142 2.967 226 H GLY 26 HN GLY 26 15.281 -2.653 0.257 227 1HA GLY 26 HA2 GLY 26 17.995 -3.753 0.725 228 2HA GLY 26 HA1 GLY 26 17.180 -3.652 -0.835 229 H TRP 27 HN TRP 27 17.042 -1.526 -1.866 230 HA TRP 27 HA TRP 27 18.571 0.728 -0.773 231 1HB TRP 27 HB2 TRP 27 20.291 -0.924 -1.551 232 2HB TRP 27 HB1 TRP 27 19.611 -0.817 -3.173 233 HD1 TRP 27 HD1 TRP 27 20.414 1.106 -4.665 234 HE1 TRP 27 HE1 TRP 27 21.920 3.171 -4.323 235 HE3 TRP 27 HE3 TRP 27 20.997 0.938 0.404 236 HZ2 TRP 27 HZ2 TRP 27 23.202 4.566 -2.179 237 HZ3 TRP 27 HZ3 TRP 27 22.365 2.645 1.570 238 HH2 TRP 27 HH2 TRP 27 23.467 4.457 0.286 239 H ALA 28 HN ALA 28 17.459 -0.699 -3.885 240 HA ALA 28 HA ALA 28 15.816 1.728 -4.390 241 1HB ALA 28 HB1 ALA 28 16.913 1.979 -6.621 242 2HB ALA 28 HB2 ALA 28 18.048 0.704 -6.175 243 3HB ALA 28 HB3 ALA 28 18.041 2.227 -5.287 Start of MODEL 8 1 1H SER 1 HT1 SER 1 -16.821 3.178 7.207 2 2H SER 1 HT2 SER 1 -18.164 2.639 8.099 3 3H SER 1 HT3 SER 1 -16.604 2.532 8.761 4 HA SER 1 HA SER 1 -17.849 4.399 9.726 5 1HB SER 1 HB2 SER 1 -16.012 6.079 9.084 6 2HB SER 1 HB1 SER 1 -15.462 4.521 9.694 7 HG SER 1 HG SER 1 -14.433 4.376 7.869 8 H GLY 2 HN GLY 2 -16.800 5.458 6.461 9 1HA GLY 2 HA2 GLY 2 -19.521 6.629 6.051 10 2HA GLY 2 HA1 GLY 2 -18.073 7.589 5.736 11 H ASN 3 HN ASN 3 -16.846 7.158 3.860 12 HA ASN 3 HA ASN 3 -18.274 5.863 1.675 13 1HB ASN 3 HB2 ASN 3 -16.332 6.611 0.367 14 2HB ASN 3 HB1 ASN 3 -16.873 7.896 1.439 15 1HD2 ASN 3 1HD2 ASN 3 -14.181 7.745 0.378 16 2HD2 ASN 3 2HD2 ASN 3 -13.121 7.503 1.681 17 H TYR 4 HN TYR 4 -17.304 4.108 0.348 18 HA TYR 4 HA TYR 4 -16.134 2.000 2.092 19 1HB TYR 4 HB2 TYR 4 -17.034 0.487 0.469 20 2HB TYR 4 HB1 TYR 4 -18.242 1.752 0.665 21 HD1 TYR 4 HD1 TYR 4 -15.601 0.406 -1.549 22 HD2 TYR 4 HD2 TYR 4 -18.725 3.324 -1.123 23 HE1 TYR 4 HE1 TYR 4 -15.478 0.894 -3.976 24 HE2 TYR 4 HE2 TYR 4 -18.600 3.812 -3.550 25 HH TYR 4 HH TYR 4 -17.584 2.084 -5.721 26 H VAL 5 HN VAL 5 -15.256 4.006 -0.676 27 HA VAL 5 HA VAL 5 -13.129 2.439 -1.748 28 HB VAL 5 HB VAL 5 -14.203 4.504 -2.716 29 1HG1 VAL 5 1HG1 VAL 5 -14.051 5.798 -0.529 30 2HG1 VAL 5 2HG1 VAL 5 -13.558 6.685 -1.970 31 3HG1 VAL 5 3HG1 VAL 5 -12.338 6.026 -0.881 32 1HG2 VAL 5 1HG2 VAL 5 -12.012 5.471 -3.568 33 2HG2 VAL 5 2HG2 VAL 5 -12.178 3.725 -3.744 34 3HG2 VAL 5 3HG2 VAL 5 -11.188 4.390 -2.444 35 H LEU 6 HN LEU 6 -13.179 4.653 1.057 36 HA LEU 6 HA LEU 6 -10.349 4.766 1.522 37 1HB LEU 6 HB2 LEU 6 -12.581 5.884 2.603 38 2HB LEU 6 HB1 LEU 6 -12.219 4.679 3.837 39 HG LEU 6 HG LEU 6 -9.752 5.620 3.552 40 1HD1 LEU 6 1HD1 LEU 6 -9.664 7.949 2.982 41 2HD1 LEU 6 2HD1 LEU 6 -11.422 8.063 2.911 42 3HD1 LEU 6 3HD1 LEU 6 -10.548 7.152 1.681 43 1HD2 LEU 6 1HD2 LEU 6 -10.999 5.668 5.648 44 2HD2 LEU 6 2HD2 LEU 6 -11.986 7.010 5.065 45 3HD2 LEU 6 3HD2 LEU 6 -10.268 7.251 5.381 46 H ASP 7 HN ASP 7 -12.862 2.498 2.659 47 HA ASP 7 HA ASP 7 -11.133 0.860 4.282 48 1HB ASP 7 HB2 ASP 7 -13.868 0.993 3.402 49 2HB ASP 7 HB1 ASP 7 -13.284 -0.649 3.148 50 H LEU 8 HN LEU 8 -11.932 0.919 0.840 51 HA LEU 8 HA LEU 8 -10.688 -1.647 0.202 52 1HB LEU 8 HB2 LEU 8 -12.309 0.372 -1.022 53 2HB LEU 8 HB1 LEU 8 -10.903 0.106 -2.051 54 HG LEU 8 HG LEU 8 -11.614 -2.463 -1.288 55 1HD1 LEU 8 1HD1 LEU 8 -13.731 -1.528 -0.346 56 2HD1 LEU 8 2HD1 LEU 8 -14.018 -2.644 -1.680 57 3HD1 LEU 8 3HD1 LEU 8 -14.134 -0.904 -1.944 58 1HD2 LEU 8 1HD2 LEU 8 -10.942 -1.495 -3.554 59 2HD2 LEU 8 2HD2 LEU 8 -12.636 -1.050 -3.768 60 3HD2 LEU 8 3HD2 LEU 8 -12.184 -2.746 -3.602 61 H ILE 9 HN ILE 9 -9.631 1.739 0.282 62 HA ILE 9 HA ILE 9 -7.271 1.646 -1.259 63 HB ILE 9 HB ILE 9 -8.104 3.074 1.270 64 1HG1 ILE 9 2HG1 ILE 9 -9.056 3.555 -1.072 65 2HG1 ILE 9 1HG1 ILE 9 -8.432 4.933 -0.171 66 1HG2 ILE 9 1HG2 ILE 9 -6.066 4.588 0.737 67 2HG2 ILE 9 2HG2 ILE 9 -5.437 3.192 -0.138 68 3HG2 ILE 9 3HG2 ILE 9 -5.766 3.074 1.591 69 1HD1 ILE 9 1HD1 ILE 9 -7.731 4.566 -2.695 70 2HD1 ILE 9 2HD1 ILE 9 -6.576 3.435 -1.993 71 3HD1 ILE 9 3HD1 ILE 9 -6.545 5.134 -1.520 72 H TYR 10 HN TYR 10 -7.946 0.209 1.865 73 HA TYR 10 HA TYR 10 -5.333 -0.267 2.861 74 1HB TYR 10 HB2 TYR 10 -6.560 -1.392 4.419 75 2HB TYR 10 HB1 TYR 10 -7.970 -0.889 3.502 76 HD1 TYR 10 HD1 TYR 10 -9.058 -2.453 1.896 77 HD2 TYR 10 HD2 TYR 10 -5.745 -3.672 4.344 78 HE1 TYR 10 HE1 TYR 10 -9.580 -4.828 1.419 79 HE2 TYR 10 HE2 TYR 10 -6.265 -6.046 3.864 80 HH TYR 10 HH TYR 10 -7.582 -7.249 1.738 81 H SER 11 HN SER 11 -7.230 -2.046 0.430 82 HA SER 11 HA SER 11 -5.242 -4.156 0.046 83 1HB SER 11 HB2 SER 11 -7.755 -4.267 -0.349 84 2HB SER 11 HB1 SER 11 -7.508 -3.248 -1.764 85 HG SER 11 HG SER 11 -7.464 -5.434 -2.349 86 H LEU 12 HN LEU 12 -5.955 -1.004 -1.364 87 HA LEU 12 HA LEU 12 -4.195 -1.304 -3.672 88 1HB LEU 12 HB2 LEU 12 -6.025 0.649 -2.465 89 2HB LEU 12 HB1 LEU 12 -4.605 1.410 -3.177 90 HG LEU 12 HG LEU 12 -6.458 -0.538 -4.583 91 1HD1 LEU 12 1HD1 LEU 12 -6.010 2.407 -5.131 92 2HD1 LEU 12 2HD1 LEU 12 -7.332 1.804 -4.132 93 3HD1 LEU 12 3HD1 LEU 12 -7.240 1.357 -5.836 94 1HD2 LEU 12 1HD2 LEU 12 -5.089 0.350 -6.599 95 2HD2 LEU 12 2HD2 LEU 12 -4.315 -0.840 -5.554 96 3HD2 LEU 12 3HD2 LEU 12 -3.910 0.870 -5.397 97 H HIS 13 HN HIS 13 -3.929 -0.079 -0.380 98 HA HIS 13 HA HIS 13 -1.340 1.200 -0.736 99 1HB HIS 13 HB2 HIS 13 -3.304 1.468 1.041 100 2HB HIS 13 HB1 HIS 13 -2.375 0.246 1.911 101 HD1 HIS 13 HD1 HIS 13 -2.305 3.823 0.869 102 HD2 HIS 13 HD2 HIS 13 0.283 1.094 2.662 103 HE1 HIS 13 HE1 HIS 13 -0.381 5.173 1.811 104 H LYS 14 HN LYS 14 -2.402 -1.941 0.674 105 HA LYS 14 HA LYS 14 0.157 -2.835 1.535 106 1HB LYS 14 HB2 LYS 14 -0.884 -5.054 1.495 107 2HB LYS 14 HB1 LYS 14 -2.055 -3.869 2.065 108 1HG LYS 14 HG2 LYS 14 -3.408 -4.815 0.497 109 2HG LYS 14 HG1 LYS 14 -2.521 -3.780 -0.616 110 1HD LYS 14 HD2 LYS 14 -1.490 -5.536 -1.601 111 2HD LYS 14 HD1 LYS 14 -1.119 -6.287 -0.048 112 1HE LYS 14 HE2 LYS 14 -3.933 -6.502 -0.366 113 2HE LYS 14 HE1 LYS 14 -3.211 -6.982 -1.914 114 1HZ LYS 14 HZ1 LYS 14 -3.259 -8.858 -0.391 115 2HZ LYS 14 HZ2 LYS 14 -2.397 -7.972 0.774 116 3HZ LYS 14 HZ3 LYS 14 -1.655 -8.397 -0.695 117 H GLN 15 HN GLN 15 -1.253 -2.702 -1.672 118 HA GLN 15 HA GLN 15 0.699 -4.438 -2.965 119 1HB GLN 15 HB2 GLN 15 -1.616 -3.916 -3.796 120 2HB GLN 15 HB1 GLN 15 -1.099 -2.255 -4.080 121 1HG GLN 15 HG2 GLN 15 -0.245 -2.841 -6.075 122 2HG GLN 15 HG1 GLN 15 0.815 -4.012 -5.291 123 1HE2 GLN 15 1HE2 GLN 15 -2.617 -3.691 -6.381 124 2HE2 GLN 15 2HE2 GLN 15 -2.784 -5.328 -6.803 125 H ILE 16 HN ILE 16 0.238 -0.937 -2.608 126 HA ILE 16 HA ILE 16 2.611 -0.117 -4.029 127 HB ILE 16 HB ILE 16 0.815 1.139 -1.931 128 1HG1 ILE 16 2HG1 ILE 16 1.124 1.858 -4.853 129 2HG1 ILE 16 1HG1 ILE 16 0.006 0.604 -4.318 130 1HG2 ILE 16 1HG2 ILE 16 1.928 3.310 -2.858 131 2HG2 ILE 16 2HG2 ILE 16 3.245 2.238 -3.332 132 3HG2 ILE 16 3HG2 ILE 16 2.790 2.376 -1.635 133 1HD1 ILE 16 1HD1 ILE 16 -0.147 3.548 -3.966 134 2HD1 ILE 16 2HD1 ILE 16 -0.665 2.575 -2.589 135 3HD1 ILE 16 3HD1 ILE 16 -1.443 2.369 -4.157 136 H ASN 17 HN ASN 17 1.899 -0.867 -0.645 137 HA ASN 17 HA ASN 17 4.389 -0.030 0.509 138 1HB ASN 17 HB2 ASN 17 1.949 -1.356 1.247 139 2HB ASN 17 HB1 ASN 17 3.303 -2.272 1.904 140 1HD2 ASN 17 1HD2 ASN 17 4.308 -1.424 3.762 141 2HD2 ASN 17 2HD2 ASN 17 4.021 0.132 4.375 142 H ARG 18 HN ARG 18 3.375 -3.083 -1.028 143 HA ARG 18 HA ARG 18 5.607 -4.700 -0.264 144 1HB ARG 18 HB2 ARG 18 3.606 -4.617 -2.505 145 2HB ARG 18 HB1 ARG 18 4.955 -5.747 -2.620 146 1HG ARG 18 HG2 ARG 18 3.687 -5.747 0.026 147 2HG ARG 18 HG1 ARG 18 2.583 -6.216 -1.267 148 1HD ARG 18 HD2 ARG 18 3.555 -8.284 -0.802 149 2HD ARG 18 HD1 ARG 18 4.693 -7.691 -2.027 150 HE ARG 18 HE ARG 18 5.786 -6.630 0.214 151 1HH1 ARG 18 1HH1 ARG 18 6.966 -9.115 -0.976 152 2HH1 ARG 18 2HH1 ARG 18 6.922 -10.217 0.359 153 1HH2 ARG 18 1HH2 ARG 18 4.649 -8.322 2.185 154 2HH2 ARG 18 2HH2 ARG 18 5.605 -9.765 2.157 155 H GLY 19 HN GLY 19 5.105 -2.696 -3.197 156 1HA GLY 19 HA2 GLY 19 7.801 -3.104 -4.186 157 2HA GLY 19 HA1 GLY 19 6.662 -1.889 -4.771 158 H LEU 20 HN LEU 20 6.198 -0.682 -2.164 159 HA LEU 20 HA LEU 20 8.341 1.243 -2.101 160 1HB LEU 20 HB2 LEU 20 6.003 1.711 -1.495 161 2HB LEU 20 HB1 LEU 20 6.105 0.564 -0.161 162 HG LEU 20 HG LEU 20 7.934 1.967 0.828 163 1HD1 LEU 20 1HD1 LEU 20 7.236 3.657 -1.570 164 2HD1 LEU 20 2HD1 LEU 20 8.830 3.181 -0.982 165 3HD1 LEU 20 3HD1 LEU 20 7.896 4.395 -0.109 166 1HD2 LEU 20 1HD2 LEU 20 5.382 3.522 0.317 167 2HD2 LEU 20 2HD2 LEU 20 6.438 3.640 1.725 168 3HD2 LEU 20 3HD2 LEU 20 5.493 2.177 1.453 169 H LYS 21 HN LYS 21 7.624 -1.662 -0.234 170 HA LYS 21 HA LYS 21 9.571 -1.228 1.861 171 1HB LYS 21 HB2 LYS 21 7.627 -2.677 2.120 172 2HB LYS 21 HB1 LYS 21 8.165 -3.690 0.782 173 1HG LYS 21 HG2 LYS 21 10.190 -3.349 2.893 174 2HG LYS 21 HG1 LYS 21 8.725 -4.166 3.438 175 1HD LYS 21 HD2 LYS 21 9.637 -5.099 0.811 176 2HD LYS 21 HD1 LYS 21 10.825 -5.369 2.087 177 1HE LYS 21 HE2 LYS 21 9.305 -6.679 3.377 178 2HE LYS 21 HE1 LYS 21 7.911 -6.133 2.424 179 1HZ LYS 21 HZ1 LYS 21 10.216 -7.655 1.319 180 2HZ LYS 21 HZ2 LYS 21 8.806 -7.203 0.484 181 3HZ LYS 21 HZ3 LYS 21 8.726 -8.349 1.738 182 H LYS 22 HN LYS 22 9.622 -3.321 -1.053 183 HA LYS 22 HA LYS 22 12.277 -4.306 -0.674 184 1HB LYS 22 HB2 LYS 22 12.048 -5.085 -2.948 185 2HB LYS 22 HB1 LYS 22 10.457 -5.181 -2.198 186 1HG LYS 22 HG2 LYS 22 9.768 -4.049 -4.049 187 2HG LYS 22 HG1 LYS 22 10.410 -2.641 -3.208 188 1HD LYS 22 HD2 LYS 22 12.303 -2.538 -4.519 189 2HD LYS 22 HD1 LYS 22 12.331 -4.280 -4.797 190 1HE LYS 22 HE2 LYS 22 9.918 -3.182 -5.944 191 2HE LYS 22 HE1 LYS 22 11.326 -2.293 -6.555 192 1HZ LYS 22 HZ1 LYS 22 10.905 -4.329 -7.837 193 2HZ LYS 22 HZ2 LYS 22 11.102 -5.258 -6.429 194 3HZ LYS 22 HZ3 LYS 22 12.411 -4.376 -7.061 195 H ILE 23 HN ILE 23 11.162 -1.217 -1.871 196 HA ILE 23 HA ILE 23 13.574 -0.474 -3.305 197 HB ILE 23 HB ILE 23 11.181 0.953 -2.131 198 1HG1 ILE 23 2HG1 ILE 23 12.158 0.797 -4.992 199 2HG1 ILE 23 1HG1 ILE 23 11.104 -0.427 -4.284 200 1HG2 ILE 23 1HG2 ILE 23 13.515 2.278 -2.197 201 2HG2 ILE 23 2HG2 ILE 23 11.993 3.054 -2.631 202 3HG2 ILE 23 3HG2 ILE 23 13.068 2.453 -3.893 203 1HD1 ILE 23 1HD1 ILE 23 10.523 2.469 -4.849 204 2HD1 ILE 23 2HD1 ILE 23 9.631 1.625 -3.583 205 3HD1 ILE 23 3HD1 ILE 23 9.561 1.046 -5.247 206 H VAL 24 HN VAL 24 12.342 0.130 -0.027 207 HA VAL 24 HA VAL 24 14.785 1.512 0.833 208 HB VAL 24 HB VAL 24 12.282 0.506 2.228 209 1HG1 VAL 24 1HG1 VAL 24 14.748 1.859 3.270 210 2HG1 VAL 24 2HG1 VAL 24 13.749 0.620 4.028 211 3HG1 VAL 24 3HG1 VAL 24 13.188 2.290 3.970 212 1HG2 VAL 24 1HG2 VAL 24 11.956 2.357 0.617 213 2HG2 VAL 24 2HG2 VAL 24 13.206 3.290 1.439 214 3HG2 VAL 24 3HG2 VAL 24 11.701 2.907 2.274 215 H LEU 25 HN LEU 25 13.345 -1.696 1.131 216 HA LEU 25 HA LEU 25 15.220 -2.758 3.066 217 1HB LEU 25 HB2 LEU 25 12.986 -3.684 2.673 218 2HB LEU 25 HB1 LEU 25 13.397 -4.027 0.994 219 HG LEU 25 HG LEU 25 15.237 -5.531 1.837 220 1HD1 LEU 25 1HD1 LEU 25 13.805 -5.100 4.479 221 2HD1 LEU 25 2HD1 LEU 25 15.434 -4.544 4.095 222 3HD1 LEU 25 3HD1 LEU 25 15.092 -6.271 4.190 223 1HD2 LEU 25 1HD2 LEU 25 12.482 -6.297 2.841 224 2HD2 LEU 25 2HD2 LEU 25 13.752 -7.381 2.273 225 3HD2 LEU 25 3HD2 LEU 25 12.933 -6.312 1.135 226 H GLY 26 HN GLY 26 15.095 -2.696 -0.496 227 1HA GLY 26 HA2 GLY 26 17.485 -4.364 -0.776 228 2HA GLY 26 HA1 GLY 26 16.633 -3.542 -2.084 229 H TRP 27 HN TRP 27 17.152 -1.320 -2.526 230 HA TRP 27 HA TRP 27 19.122 0.141 -0.969 231 1HB TRP 27 HB2 TRP 27 20.972 -0.047 -2.608 232 2HB TRP 27 HB1 TRP 27 20.551 -1.618 -1.934 233 HD1 TRP 27 HD1 TRP 27 19.011 -3.235 -3.521 234 HE1 TRP 27 HE1 TRP 27 18.942 -3.434 -6.090 235 HE3 TRP 27 HE3 TRP 27 21.235 1.179 -4.809 236 HZ2 TRP 27 HZ2 TRP 27 19.730 -1.923 -8.388 237 HZ3 TRP 27 HZ3 TRP 27 21.565 1.771 -7.192 238 HH2 TRP 27 HH2 TRP 27 20.815 0.227 -8.982 239 H ALA 28 HN ALA 28 17.624 -0.260 -4.199 240 HA ALA 28 HA ALA 28 17.787 2.686 -4.632 241 1HB ALA 28 HB1 ALA 28 18.568 1.325 -6.451 242 2HB ALA 28 HB2 ALA 28 16.990 1.940 -6.942 243 3HB ALA 28 HB3 ALA 28 17.149 0.282 -6.362 Start of MODEL 9 1 1H SER 1 HT1 SER 1 -18.061 10.937 -0.119 2 2H SER 1 HT2 SER 1 -19.578 11.626 -0.453 3 3H SER 1 HT3 SER 1 -18.633 10.988 -1.714 4 HA SER 1 HA SER 1 -19.832 9.402 0.506 5 1HB SER 1 HB2 SER 1 -21.106 10.587 -1.580 6 2HB SER 1 HB1 SER 1 -20.595 9.089 -2.352 7 HG SER 1 HG SER 1 -22.065 8.088 -1.242 8 H GLY 2 HN GLY 2 -19.773 7.014 -0.186 9 1HA GLY 2 HA2 GLY 2 -18.688 5.228 -1.434 10 2HA GLY 2 HA1 GLY 2 -17.412 6.362 -1.884 11 H ASN 3 HN ASN 3 -18.835 4.845 1.028 12 HA ASN 3 HA ASN 3 -16.301 5.186 2.509 13 1HB ASN 3 HB2 ASN 3 -17.620 4.334 4.375 14 2HB ASN 3 HB1 ASN 3 -18.582 5.522 3.499 15 1HD2 ASN 3 1HD2 ASN 3 -18.867 2.539 4.929 16 2HD2 ASN 3 2HD2 ASN 3 -20.121 1.891 3.987 17 H TYR 4 HN TYR 4 -18.151 2.567 0.973 18 HA TYR 4 HA TYR 4 -16.737 0.321 2.008 19 1HB TYR 4 HB2 TYR 4 -18.807 0.096 0.786 20 2HB TYR 4 HB1 TYR 4 -18.127 0.902 -0.627 21 HD1 TYR 4 HD1 TYR 4 -17.152 -0.364 -2.341 22 HD2 TYR 4 HD2 TYR 4 -17.629 -2.103 1.558 23 HE1 TYR 4 HE1 TYR 4 -16.379 -2.548 -3.221 24 HE2 TYR 4 HE2 TYR 4 -16.855 -4.288 0.677 25 HH TYR 4 HH TYR 4 -15.182 -4.741 -1.905 26 H VAL 5 HN VAL 5 -16.164 2.151 -1.033 27 HA VAL 5 HA VAL 5 -13.776 0.731 -1.771 28 HB VAL 5 HB VAL 5 -15.252 2.129 -3.247 29 1HG1 VAL 5 1HG1 VAL 5 -13.816 4.500 -2.030 30 2HG1 VAL 5 2HG1 VAL 5 -15.444 4.018 -1.554 31 3HG1 VAL 5 3HG1 VAL 5 -15.124 4.524 -3.212 32 1HG2 VAL 5 1HG2 VAL 5 -13.307 3.290 -4.435 33 2HG2 VAL 5 2HG2 VAL 5 -13.110 1.563 -4.139 34 3HG2 VAL 5 3HG2 VAL 5 -12.291 2.733 -3.105 35 H LEU 6 HN LEU 6 -14.305 3.662 0.208 36 HA LEU 6 HA LEU 6 -11.601 4.524 0.468 37 1HB LEU 6 HB2 LEU 6 -14.058 5.317 1.361 38 2HB LEU 6 HB1 LEU 6 -13.383 4.654 2.848 39 HG LEU 6 HG LEU 6 -12.891 7.066 2.634 40 1HD1 LEU 6 1HD1 LEU 6 -10.610 6.935 3.245 41 2HD1 LEU 6 2HD1 LEU 6 -10.316 5.559 2.181 42 3HD1 LEU 6 3HD1 LEU 6 -11.259 5.348 3.656 43 1HD2 LEU 6 1HD2 LEU 6 -12.617 6.554 -0.046 44 2HD2 LEU 6 2HD2 LEU 6 -10.932 6.676 0.457 45 3HD2 LEU 6 3HD2 LEU 6 -12.038 8.018 0.749 46 H ASP 7 HN ASP 7 -13.472 2.138 2.353 47 HA ASP 7 HA ASP 7 -11.367 1.481 4.219 48 1HB ASP 7 HB2 ASP 7 -14.061 0.868 3.760 49 2HB ASP 7 HB1 ASP 7 -13.231 -0.672 3.542 50 H LEU 8 HN LEU 8 -12.343 0.215 1.047 51 HA LEU 8 HA LEU 8 -10.529 -2.032 0.987 52 1HB LEU 8 HB2 LEU 8 -12.522 -0.752 -0.642 53 2HB LEU 8 HB1 LEU 8 -11.102 -1.082 -1.633 54 HG LEU 8 HG LEU 8 -11.330 -3.389 -0.128 55 1HD1 LEU 8 1HD1 LEU 8 -13.532 -2.626 0.715 56 2HD1 LEU 8 2HD1 LEU 8 -13.690 -4.064 -0.292 57 3HD1 LEU 8 3HD1 LEU 8 -14.110 -2.480 -0.945 58 1HD2 LEU 8 1HD2 LEU 8 -12.666 -2.929 -2.813 59 2HD2 LEU 8 2HD2 LEU 8 -11.952 -4.426 -2.212 60 3HD2 LEU 8 3HD2 LEU 8 -10.917 -3.057 -2.616 61 H ILE 9 HN ILE 9 -10.170 1.391 0.128 62 HA ILE 9 HA ILE 9 -7.864 1.339 -1.495 63 HB ILE 9 HB ILE 9 -8.809 3.211 0.697 64 1HG1 ILE 9 2HG1 ILE 9 -8.734 3.604 -2.304 65 2HG1 ILE 9 1HG1 ILE 9 -10.115 2.891 -1.477 66 1HG2 ILE 9 1HG2 ILE 9 -7.222 4.875 -0.399 67 2HG2 ILE 9 2HG2 ILE 9 -6.462 3.500 -1.199 68 3HG2 ILE 9 3HG2 ILE 9 -6.446 3.616 0.561 69 1HD1 ILE 9 1HD1 ILE 9 -9.115 5.700 -1.422 70 2HD1 ILE 9 2HD1 ILE 9 -9.823 5.061 0.061 71 3HD1 ILE 9 3HD1 ILE 9 -10.772 5.098 -1.424 72 H TYR 10 HN TYR 10 -8.194 0.726 1.948 73 HA TYR 10 HA TYR 10 -5.518 0.960 2.846 74 1HB TYR 10 HB2 TYR 10 -6.500 0.124 4.724 75 2HB TYR 10 HB1 TYR 10 -7.992 0.075 3.799 76 HD1 TYR 10 HD1 TYR 10 -5.123 -1.904 5.022 77 HD2 TYR 10 HD2 TYR 10 -8.879 -2.038 2.945 78 HE1 TYR 10 HE1 TYR 10 -5.157 -4.373 5.238 79 HE2 TYR 10 HE2 TYR 10 -8.912 -4.503 3.158 80 HH TYR 10 HH TYR 10 -6.857 -6.351 3.473 81 H SER 11 HN SER 11 -7.134 -1.743 1.164 82 HA SER 11 HA SER 11 -4.817 -3.505 1.188 83 1HB SER 11 HB2 SER 11 -7.349 -4.015 0.922 84 2HB SER 11 HB1 SER 11 -7.138 -3.537 -0.759 85 HG SER 11 HG SER 11 -5.885 -5.649 0.665 86 H LEU 12 HN LEU 12 -6.202 -1.151 -1.096 87 HA LEU 12 HA LEU 12 -4.474 -1.640 -3.324 88 1HB LEU 12 HB2 LEU 12 -6.446 0.275 -2.412 89 2HB LEU 12 HB1 LEU 12 -5.097 1.127 -3.157 90 HG LEU 12 HG LEU 12 -6.603 -1.181 -4.423 91 1HD1 LEU 12 1HD1 LEU 12 -7.908 0.960 -4.187 92 2HD1 LEU 12 2HD1 LEU 12 -7.625 0.478 -5.858 93 3HD1 LEU 12 3HD1 LEU 12 -6.658 1.764 -5.137 94 1HD2 LEU 12 1HD2 LEU 12 -5.345 -0.477 -6.460 95 2HD2 LEU 12 2HD2 LEU 12 -4.270 -1.028 -5.176 96 3HD2 LEU 12 3HD2 LEU 12 -4.463 0.697 -5.484 97 H HIS 13 HN HIS 13 -4.142 0.349 -0.423 98 HA HIS 13 HA HIS 13 -1.690 1.679 -1.146 99 1HB HIS 13 HB2 HIS 13 -3.512 2.120 0.695 100 2HB HIS 13 HB1 HIS 13 -2.533 1.025 1.672 101 HD1 HIS 13 HD1 HIS 13 -2.617 4.471 0.306 102 HD2 HIS 13 HD2 HIS 13 0.177 1.981 2.142 103 HE1 HIS 13 HE1 HIS 13 -0.685 5.953 1.002 104 H LYS 14 HN LYS 14 -2.398 -1.493 0.235 105 HA LYS 14 HA LYS 14 0.157 -2.089 1.375 106 1HB LYS 14 HB2 LYS 14 -1.940 -3.838 0.047 107 2HB LYS 14 HB1 LYS 14 -0.608 -4.458 1.020 108 1HG LYS 14 HG2 LYS 14 -2.979 -2.819 1.899 109 2HG LYS 14 HG1 LYS 14 -2.383 -4.340 2.559 110 1HD LYS 14 HD2 LYS 14 -0.306 -3.108 3.299 111 2HD LYS 14 HD1 LYS 14 -1.100 -1.608 2.821 112 1HE LYS 14 HE2 LYS 14 -2.552 -1.650 4.604 113 2HE LYS 14 HE1 LYS 14 -2.664 -3.422 4.600 114 1HZ LYS 14 HZ1 LYS 14 -0.151 -2.013 5.297 115 2HZ LYS 14 HZ2 LYS 14 -0.573 -3.630 5.605 116 3HZ LYS 14 HZ3 LYS 14 -1.322 -2.375 6.470 117 H GLN 15 HN GLN 15 -1.052 -2.243 -1.933 118 HA GLN 15 HA GLN 15 1.130 -3.700 -3.106 119 1HB GLN 15 HB2 GLN 15 -1.113 -1.951 -3.956 120 2HB GLN 15 HB1 GLN 15 0.232 -2.057 -5.091 121 1HG GLN 15 HG2 GLN 15 0.068 -4.483 -5.141 122 2HG GLN 15 HG1 GLN 15 -1.170 -4.459 -3.883 123 1HE2 GLN 15 1HE2 GLN 15 -0.558 -3.339 -7.249 124 2HE2 GLN 15 2HE2 GLN 15 -2.194 -3.343 -7.704 125 H ILE 16 HN ILE 16 0.567 -0.235 -2.577 126 HA ILE 16 HA ILE 16 2.971 0.730 -3.832 127 HB ILE 16 HB ILE 16 1.200 1.827 -1.619 128 1HG1 ILE 16 2HG1 ILE 16 1.187 2.933 -4.381 129 2HG1 ILE 16 1HG1 ILE 16 0.496 1.322 -4.191 130 1HG2 ILE 16 1HG2 ILE 16 2.162 4.021 -2.169 131 2HG2 ILE 16 2HG2 ILE 16 3.227 3.271 -3.357 132 3HG2 ILE 16 3HG2 ILE 16 3.430 2.914 -1.642 133 1HD1 ILE 16 1HD1 ILE 16 -0.722 3.807 -3.570 134 2HD1 ILE 16 2HD1 ILE 16 -0.413 2.997 -2.035 135 3HD1 ILE 16 3HD1 ILE 16 -1.366 2.192 -3.282 136 H ASN 17 HN ASN 17 2.178 -0.184 -0.496 137 HA ASN 17 HA ASN 17 4.726 0.496 0.676 138 1HB ASN 17 HB2 ASN 17 2.210 -0.364 1.491 139 2HB ASN 17 HB1 ASN 17 3.249 -1.730 1.891 140 1HD2 ASN 17 1HD2 ASN 17 2.002 0.886 3.371 141 2HD2 ASN 17 2HD2 ASN 17 3.284 1.310 4.399 142 H ARG 18 HN ARG 18 3.402 -2.521 -0.710 143 HA ARG 18 HA ARG 18 5.478 -4.320 -0.029 144 1HB ARG 18 HB2 ARG 18 3.365 -4.988 -1.055 145 2HB ARG 18 HB1 ARG 18 3.748 -4.078 -2.515 146 1HG ARG 18 HG2 ARG 18 4.165 -6.563 -2.701 147 2HG ARG 18 HG1 ARG 18 5.573 -5.562 -3.054 148 1HD ARG 18 HD2 ARG 18 6.706 -6.263 -1.175 149 2HD ARG 18 HD1 ARG 18 5.225 -6.406 -0.211 150 HE ARG 18 HE ARG 18 4.778 -8.547 -1.283 151 1HH1 ARG 18 1HH1 ARG 18 7.687 -8.771 -0.414 152 2HH1 ARG 18 2HH1 ARG 18 8.415 -9.439 -1.836 153 1HH2 ARG 18 1HH2 ARG 18 5.732 -8.646 -3.900 154 2HH2 ARG 18 2HH2 ARG 18 7.307 -9.362 -3.818 155 H GLY 19 HN GLY 19 5.195 -2.284 -2.979 156 1HA GLY 19 HA2 GLY 19 7.799 -2.985 -4.004 157 2HA GLY 19 HA1 GLY 19 6.845 -1.587 -4.509 158 H LEU 20 HN LEU 20 6.585 -0.314 -1.990 159 HA LEU 20 HA LEU 20 8.936 1.264 -1.817 160 1HB LEU 20 HB2 LEU 20 6.812 2.047 -1.003 161 2HB LEU 20 HB1 LEU 20 6.648 0.665 0.077 162 HG LEU 20 HG LEU 20 8.579 1.462 1.393 163 1HD1 LEU 20 1HD1 LEU 20 9.806 2.619 -0.382 164 2HD1 LEU 20 2HD1 LEU 20 9.468 3.744 0.932 165 3HD1 LEU 20 3HD1 LEU 20 8.504 3.798 -0.543 166 1HD2 LEU 20 1HD2 LEU 20 6.422 2.197 2.159 167 2HD2 LEU 20 2HD2 LEU 20 6.335 3.440 0.910 168 3HD2 LEU 20 3HD2 LEU 20 7.489 3.599 2.235 169 H LYS 21 HN LYS 21 7.926 -1.577 0.053 170 HA LYS 21 HA LYS 21 10.123 -1.566 1.920 171 1HB LYS 21 HB2 LYS 21 7.839 -3.225 1.156 172 2HB LYS 21 HB1 LYS 21 9.234 -4.195 1.628 173 1HG LYS 21 HG2 LYS 21 7.959 -3.744 3.627 174 2HG LYS 21 HG1 LYS 21 9.424 -2.763 3.700 175 1HD LYS 21 HD2 LYS 21 7.743 -1.066 2.382 176 2HD LYS 21 HD1 LYS 21 6.602 -1.921 3.419 177 1HE LYS 21 HE2 LYS 21 8.680 -1.425 5.168 178 2HE LYS 21 HE1 LYS 21 8.684 0.032 4.154 179 1HZ LYS 21 HZ1 LYS 21 6.372 -1.145 5.601 180 2HZ LYS 21 HZ2 LYS 21 6.217 0.079 4.431 181 3HZ LYS 21 HZ3 LYS 21 7.084 0.372 5.865 182 H LYS 22 HN LYS 22 9.613 -3.177 -1.205 183 HA LYS 22 HA LYS 22 11.985 -4.780 -1.228 184 1HB LYS 22 HB2 LYS 22 10.030 -5.006 -2.745 185 2HB LYS 22 HB1 LYS 22 10.456 -3.472 -3.505 186 1HG LYS 22 HG2 LYS 22 12.748 -5.258 -3.426 187 2HG LYS 22 HG1 LYS 22 11.382 -6.020 -4.241 188 1HD LYS 22 HD2 LYS 22 11.185 -4.205 -5.800 189 2HD LYS 22 HD1 LYS 22 12.320 -3.215 -4.882 190 1HE LYS 22 HE2 LYS 22 13.912 -5.347 -5.326 191 2HE LYS 22 HE1 LYS 22 12.870 -5.469 -6.757 192 1HZ LYS 22 HZ1 LYS 22 14.313 -3.032 -5.846 193 2HZ LYS 22 HZ2 LYS 22 13.254 -3.100 -7.173 194 3HZ LYS 22 HZ3 LYS 22 14.710 -3.974 -7.199 195 H ILE 23 HN ILE 23 11.407 -1.423 -2.226 196 HA ILE 23 HA ILE 23 13.988 -0.952 -3.421 197 HB ILE 23 HB ILE 23 11.928 0.869 -2.130 198 1HG1 ILE 23 2HG1 ILE 23 12.420 0.639 -5.080 199 2HG1 ILE 23 1HG1 ILE 23 11.506 -0.639 -4.282 200 1HG2 ILE 23 1HG2 ILE 23 13.010 2.702 -3.331 201 2HG2 ILE 23 2HG2 ILE 23 14.202 1.592 -4.007 202 3HG2 ILE 23 3HG2 ILE 23 14.187 1.923 -2.275 203 1HD1 ILE 23 1HD1 ILE 23 9.801 0.841 -4.852 204 2HD1 ILE 23 2HD1 ILE 23 10.814 2.263 -4.603 205 3HD1 ILE 23 3HD1 ILE 23 10.183 1.375 -3.217 206 H VAL 24 HN VAL 24 12.717 -0.498 -0.141 207 HA VAL 24 HA VAL 24 15.202 0.603 0.933 208 HB VAL 24 HB VAL 24 12.661 -0.517 2.167 209 1HG1 VAL 24 1HG1 VAL 24 14.744 1.204 3.535 210 2HG1 VAL 24 2HG1 VAL 24 14.719 -0.554 3.675 211 3HG1 VAL 24 3HG1 VAL 24 13.358 0.396 4.269 212 1HG2 VAL 24 1HG2 VAL 24 11.765 1.522 1.790 213 2HG2 VAL 24 2HG2 VAL 24 13.161 1.869 0.771 214 3HG2 VAL 24 3HG2 VAL 24 13.176 2.331 2.471 215 H LEU 25 HN LEU 25 13.686 -2.559 0.692 216 HA LEU 25 HA LEU 25 15.421 -3.992 2.500 217 1HB LEU 25 HB2 LEU 25 13.261 -4.856 1.882 218 2HB LEU 25 HB1 LEU 25 13.632 -4.730 0.167 219 HG LEU 25 HG LEU 25 15.377 -6.460 0.418 220 1HD1 LEU 25 1HD1 LEU 25 15.281 -7.769 2.634 221 2HD1 LEU 25 2HD1 LEU 25 14.465 -6.354 3.298 222 3HD1 LEU 25 3HD1 LEU 25 16.106 -6.211 2.669 223 1HD2 LEU 25 1HD2 LEU 25 13.068 -7.125 -0.160 224 2HD2 LEU 25 2HD2 LEU 25 12.684 -7.272 1.556 225 3HD2 LEU 25 3HD2 LEU 25 13.857 -8.363 0.819 226 H GLY 26 HN GLY 26 15.569 -3.232 -0.973 227 1HA GLY 26 HA2 GLY 26 17.852 -4.950 -1.502 228 2HA GLY 26 HA1 GLY 26 17.226 -3.704 -2.581 229 H TRP 27 HN TRP 27 17.877 -1.455 -2.147 230 HA TRP 27 HA TRP 27 20.229 -1.134 -0.340 231 1HB TRP 27 HB2 TRP 27 20.327 -1.528 -3.155 232 2HB TRP 27 HB1 TRP 27 20.721 0.166 -2.866 233 HD1 TRP 27 HD1 TRP 27 22.882 0.714 -1.435 234 HE1 TRP 27 HE1 TRP 27 24.947 -0.697 -0.812 235 HE3 TRP 27 HE3 TRP 27 21.143 -3.950 -2.580 236 HZ2 TRP 27 HZ2 TRP 27 25.754 -3.441 -0.801 237 HZ3 TRP 27 HZ3 TRP 27 22.579 -5.942 -2.253 238 HH2 TRP 27 HH2 TRP 27 24.881 -5.694 -1.365 239 H ALA 28 HN ALA 28 18.429 0.704 -2.860 240 HA ALA 28 HA ALA 28 17.582 2.704 -0.859 241 1HB ALA 28 HB1 ALA 28 19.910 3.313 -1.414 242 2HB ALA 28 HB2 ALA 28 18.788 4.526 -2.032 243 3HB ALA 28 HB3 ALA 28 19.496 3.341 -3.129 Start of MODEL 10 1 1H SER 1 HT1 SER 1 -21.323 8.647 6.770 2 2H SER 1 HT2 SER 1 -20.173 7.436 6.454 3 3H SER 1 HT3 SER 1 -21.722 7.016 7.009 4 HA SER 1 HA SER 1 -22.714 7.843 4.949 5 1HB SER 1 HB2 SER 1 -19.792 8.449 4.409 6 2HB SER 1 HB1 SER 1 -21.044 8.517 3.171 7 HG SER 1 HG SER 1 -20.883 10.550 4.008 8 H GLY 2 HN GLY 2 -22.698 6.486 2.942 9 1HA GLY 2 HA2 GLY 2 -21.553 3.805 3.515 10 2HA GLY 2 HA1 GLY 2 -22.849 4.142 2.368 11 H ASN 3 HN ASN 3 -19.359 4.327 2.872 12 HA ASN 3 HA ASN 3 -18.997 4.840 -0.062 13 1HB ASN 3 HB2 ASN 3 -17.490 5.514 2.444 14 2HB ASN 3 HB1 ASN 3 -16.587 5.349 0.939 15 1HD2 ASN 3 1HD2 ASN 3 -18.984 7.316 2.628 16 2HD2 ASN 3 2HD2 ASN 3 -19.024 8.569 1.484 17 H TYR 4 HN TYR 4 -17.392 3.077 2.632 18 HA TYR 4 HA TYR 4 -16.327 0.974 2.687 19 1HB TYR 4 HB2 TYR 4 -18.678 0.503 1.722 20 2HB TYR 4 HB1 TYR 4 -17.879 0.396 0.155 21 HD1 TYR 4 HD1 TYR 4 -17.243 -0.817 3.661 22 HD2 TYR 4 HD2 TYR 4 -17.323 -1.749 -0.533 23 HE1 TYR 4 HE1 TYR 4 -16.557 -3.145 4.164 24 HE2 TYR 4 HE2 TYR 4 -16.636 -4.076 -0.028 25 HH TYR 4 HH TYR 4 -16.966 -5.580 2.507 26 H VAL 5 HN VAL 5 -15.408 3.286 0.696 27 HA VAL 5 HA VAL 5 -13.673 1.578 -1.044 28 HB VAL 5 HB VAL 5 -13.397 3.666 -2.361 29 1HG1 VAL 5 1HG1 VAL 5 -16.301 3.733 -2.140 30 2HG1 VAL 5 2HG1 VAL 5 -15.683 2.081 -2.130 31 3HG1 VAL 5 3HG1 VAL 5 -15.291 3.161 -3.469 32 1HG2 VAL 5 1HG2 VAL 5 -15.320 4.863 -0.337 33 2HG2 VAL 5 2HG2 VAL 5 -14.729 5.658 -1.794 34 3HG2 VAL 5 3HG2 VAL 5 -13.612 5.277 -0.486 35 H LEU 6 HN LEU 6 -13.585 4.262 1.320 36 HA LEU 6 HA LEU 6 -10.749 4.702 1.285 37 1HB LEU 6 HB2 LEU 6 -12.958 5.764 2.536 38 2HB LEU 6 HB1 LEU 6 -12.176 4.922 3.875 39 HG LEU 6 HG LEU 6 -10.525 6.646 2.048 40 1HD1 LEU 6 1HD1 LEU 6 -12.574 7.936 2.842 41 2HD1 LEU 6 2HD1 LEU 6 -11.019 8.616 3.320 42 3HD1 LEU 6 3HD1 LEU 6 -11.977 7.703 4.485 43 1HD2 LEU 6 1HD2 LEU 6 -9.540 5.132 3.821 44 2HD2 LEU 6 2HD2 LEU 6 -10.370 6.112 5.031 45 3HD2 LEU 6 3HD2 LEU 6 -9.126 6.836 4.012 46 H ASP 7 HN ASP 7 -12.823 2.457 3.100 47 HA ASP 7 HA ASP 7 -10.749 1.278 4.731 48 1HB ASP 7 HB2 ASP 7 -13.572 1.038 4.206 49 2HB ASP 7 HB1 ASP 7 -12.856 -0.571 4.144 50 H LEU 8 HN LEU 8 -11.982 0.677 1.469 51 HA LEU 8 HA LEU 8 -10.523 -1.829 1.080 52 1HB LEU 8 HB2 LEU 8 -12.568 -0.277 -0.174 53 2HB LEU 8 HB1 LEU 8 -11.294 -0.542 -1.364 54 HG LEU 8 HG LEU 8 -11.480 -3.008 -0.137 55 1HD1 LEU 8 1HD1 LEU 8 -13.542 -2.177 1.038 56 2HD1 LEU 8 2HD1 LEU 8 -13.837 -3.573 0.002 57 3HD1 LEU 8 3HD1 LEU 8 -14.298 -1.959 -0.539 58 1HD2 LEU 8 1HD2 LEU 8 -11.321 -2.452 -2.582 59 2HD2 LEU 8 2HD2 LEU 8 -13.047 -2.092 -2.572 60 3HD2 LEU 8 3HD2 LEU 8 -12.486 -3.729 -2.235 61 H ILE 9 HN ILE 9 -9.929 1.607 0.435 62 HA ILE 9 HA ILE 9 -7.841 1.522 -1.444 63 HB ILE 9 HB ILE 9 -8.435 3.219 0.980 64 1HG1 ILE 9 2HG1 ILE 9 -9.812 3.282 -1.170 65 2HG1 ILE 9 1HG1 ILE 9 -9.161 4.828 -0.634 66 1HG2 ILE 9 1HG2 ILE 9 -6.704 4.835 0.009 67 2HG2 ILE 9 2HG2 ILE 9 -6.085 3.464 -0.910 68 3HG2 ILE 9 3HG2 ILE 9 -6.061 3.426 0.853 69 1HD1 ILE 9 1HD1 ILE 9 -8.892 4.268 -3.129 70 2HD1 ILE 9 2HD1 ILE 9 -7.693 3.080 -2.617 71 3HD1 ILE 9 3HD1 ILE 9 -7.439 4.792 -2.277 72 H TYR 10 HN TYR 10 -7.807 0.594 1.942 73 HA TYR 10 HA TYR 10 -5.036 0.510 2.507 74 1HB TYR 10 HB2 TYR 10 -5.877 -0.390 4.422 75 2HB TYR 10 HB1 TYR 10 -7.460 -0.225 3.684 76 HD1 TYR 10 HD1 TYR 10 -8.563 -2.174 2.607 77 HD2 TYR 10 HD2 TYR 10 -4.769 -2.544 4.589 78 HE1 TYR 10 HE1 TYR 10 -8.824 -4.636 2.645 79 HE2 TYR 10 HE2 TYR 10 -5.030 -5.009 4.622 80 HH TYR 10 HH TYR 10 -6.345 -6.742 3.185 81 H SER 11 HN SER 11 -7.076 -1.860 0.790 82 HA SER 11 HA SER 11 -4.939 -3.817 0.428 83 1HB SER 11 HB2 SER 11 -7.461 -4.201 0.464 84 2HB SER 11 HB1 SER 11 -7.523 -3.453 -1.128 85 HG SER 11 HG SER 11 -6.476 -5.914 -0.321 86 H LEU 12 HN LEU 12 -6.372 -1.189 -1.488 87 HA LEU 12 HA LEU 12 -4.910 -1.655 -3.926 88 1HB LEU 12 HB2 LEU 12 -6.993 -0.121 -3.163 89 2HB LEU 12 HB1 LEU 12 -5.717 1.090 -3.063 90 HG LEU 12 HG LEU 12 -6.795 1.081 -5.288 91 1HD1 LEU 12 1HD1 LEU 12 -4.253 1.484 -4.864 92 2HD1 LEU 12 2HD1 LEU 12 -4.809 1.260 -6.522 93 3HD1 LEU 12 3HD1 LEU 12 -4.041 -0.074 -5.662 94 1HD2 LEU 12 1HD2 LEU 12 -7.242 -1.459 -5.146 95 2HD2 LEU 12 2HD2 LEU 12 -5.585 -1.653 -5.719 96 3HD2 LEU 12 3HD2 LEU 12 -6.770 -0.810 -6.717 97 H HIS 13 HN HIS 13 -4.208 0.113 -0.959 98 HA HIS 13 HA HIS 13 -1.796 1.404 -1.991 99 1HB HIS 13 HB2 HIS 13 -3.533 1.874 0.042 100 2HB HIS 13 HB1 HIS 13 -2.255 1.046 0.930 101 HD1 HIS 13 HD1 HIS 13 -0.519 2.613 1.790 102 HD2 HIS 13 HD2 HIS 13 -2.209 4.014 -1.756 103 HE1 HIS 13 HE1 HIS 13 0.607 4.824 1.283 104 H LYS 14 HN LYS 14 -2.554 -1.679 -0.522 105 HA LYS 14 HA LYS 14 -0.024 -2.337 0.626 106 1HB LYS 14 HB2 LYS 14 -2.505 -3.479 0.401 107 2HB LYS 14 HB1 LYS 14 -1.558 -4.498 -0.682 108 1HG LYS 14 HG2 LYS 14 -0.666 -3.826 2.132 109 2HG LYS 14 HG1 LYS 14 -1.623 -5.255 1.744 110 1HD LYS 14 HD2 LYS 14 0.155 -5.905 0.080 111 2HD LYS 14 HD1 LYS 14 1.135 -4.572 0.691 112 1HE LYS 14 HE2 LYS 14 1.107 -5.559 2.953 113 2HE LYS 14 HE1 LYS 14 0.096 -6.892 2.363 114 1HZ LYS 14 HZ1 LYS 14 2.469 -7.465 2.329 115 2HZ LYS 14 HZ2 LYS 14 2.772 -6.166 1.275 116 3HZ LYS 14 HZ3 LYS 14 1.801 -7.468 0.770 117 H GLN 15 HN GLN 15 -1.225 -2.596 -2.707 118 HA GLN 15 HA GLN 15 0.966 -4.160 -3.724 119 1HB GLN 15 HB2 GLN 15 0.132 -3.413 -5.919 120 2HB GLN 15 HB1 GLN 15 -1.209 -3.855 -4.867 121 1HG GLN 15 HG2 GLN 15 -2.072 -1.783 -4.991 122 2HG GLN 15 HG1 GLN 15 -0.535 -1.054 -4.528 123 1HE2 GLN 15 1HE2 GLN 15 -2.458 -2.135 -7.325 124 2HE2 GLN 15 2HE2 GLN 15 -1.544 -1.299 -8.486 125 H ILE 16 HN ILE 16 0.706 -0.794 -2.889 126 HA ILE 16 HA ILE 16 3.137 -0.034 -4.401 127 HB ILE 16 HB ILE 16 1.270 1.436 -2.507 128 1HG1 ILE 16 2HG1 ILE 16 1.419 2.336 -5.281 129 2HG1 ILE 16 1HG1 ILE 16 0.922 0.648 -5.169 130 1HG2 ILE 16 1HG2 ILE 16 2.486 3.430 -3.790 131 2HG2 ILE 16 2HG2 ILE 16 3.792 2.249 -3.899 132 3HG2 ILE 16 3HG2 ILE 16 3.175 2.738 -2.321 133 1HD1 ILE 16 1HD1 ILE 16 -0.701 2.899 -4.762 134 2HD1 ILE 16 2HD1 ILE 16 -0.407 2.254 -3.147 135 3HD1 ILE 16 3HD1 ILE 16 -1.112 1.226 -4.393 136 H ASN 17 HN ASN 17 2.050 -0.647 -1.101 137 HA ASN 17 HA ASN 17 4.444 0.174 0.280 138 1HB ASN 17 HB2 ASN 17 1.880 -0.666 0.890 139 2HB ASN 17 HB1 ASN 17 2.860 -2.024 1.437 140 1HD2 ASN 17 1HD2 ASN 17 4.667 -1.490 2.993 141 2HD2 ASN 17 2HD2 ASN 17 4.500 -0.139 4.007 142 H ARG 18 HN ARG 18 3.298 -3.026 -0.877 143 HA ARG 18 HA ARG 18 5.431 -4.620 0.101 144 1HB ARG 18 HB2 ARG 18 4.653 -6.231 -1.521 145 2HB ARG 18 HB1 ARG 18 3.243 -5.324 -0.982 146 1HG ARG 18 HG2 ARG 18 3.425 -3.877 -2.987 147 2HG ARG 18 HG1 ARG 18 4.808 -4.825 -3.533 148 1HD ARG 18 HD2 ARG 18 2.446 -6.463 -2.855 149 2HD ARG 18 HD1 ARG 18 2.205 -5.367 -4.230 150 HE ARG 18 HE ARG 18 4.104 -6.409 -5.346 151 1HH1 ARG 18 1HH2 ARG 18 2.299 -8.617 -3.934 152 2HH1 ARG 18 2HH2 ARG 18 3.545 -9.734 -3.486 153 1HH2 ARG 18 1HH1 ARG 18 6.130 -7.486 -4.075 154 2HH2 ARG 18 2HH1 ARG 18 5.724 -9.090 -3.565 155 H GLY 19 HN GLY 19 5.237 -2.660 -2.871 156 1HA GLY 19 HA2 GLY 19 7.878 -3.522 -3.808 157 2HA GLY 19 HA1 GLY 19 6.880 -2.256 -4.531 158 H LEU 20 HN LEU 20 6.456 -0.679 -2.211 159 HA LEU 20 HA LEU 20 8.775 0.987 -2.170 160 1HB LEU 20 HB2 LEU 20 6.578 1.833 -1.654 161 2HB LEU 20 HB1 LEU 20 6.363 0.651 -0.366 162 HG LEU 20 HG LEU 20 8.125 1.715 0.954 163 1HD1 LEU 20 1HD1 LEU 20 9.711 2.605 -0.492 164 2HD1 LEU 20 2HD1 LEU 20 8.836 4.070 -0.049 165 3HD1 LEU 20 3HD1 LEU 20 8.494 3.270 -1.583 166 1HD2 LEU 20 1HD2 LEU 20 6.973 3.781 1.482 167 2HD2 LEU 20 2HD2 LEU 20 5.760 2.581 1.035 168 3HD2 LEU 20 3HD2 LEU 20 6.232 3.828 -0.119 169 H LYS 21 HN LYS 21 7.672 -1.575 0.011 170 HA LYS 21 HA LYS 21 9.624 -1.237 2.080 171 1HB LYS 21 HB2 LYS 21 7.493 -2.532 2.194 172 2HB LYS 21 HB1 LYS 21 8.198 -3.732 1.111 173 1HG LYS 21 HG2 LYS 21 10.085 -3.344 3.185 174 2HG LYS 21 HG1 LYS 21 8.510 -3.478 3.970 175 1HD LYS 21 HD2 LYS 21 8.149 -5.511 2.378 176 2HD LYS 21 HD1 LYS 21 9.903 -5.471 2.191 177 1HE LYS 21 HE2 LYS 21 9.865 -6.814 4.058 178 2HE LYS 21 HE1 LYS 21 9.667 -5.275 4.919 179 1HZ LYS 21 HZ1 LYS 21 7.215 -5.530 4.455 180 2HZ LYS 21 HZ2 LYS 21 7.863 -6.619 5.587 181 3HZ LYS 21 HZ3 LYS 21 7.542 -7.132 3.999 182 H LYS 22 HN LYS 22 9.648 -3.245 -0.873 183 HA LYS 22 HA LYS 22 12.190 -4.497 -0.305 184 1HB LYS 22 HB2 LYS 22 11.857 -5.535 -2.374 185 2HB LYS 22 HB1 LYS 22 10.210 -5.110 -1.927 186 1HG LYS 22 HG2 LYS 22 10.136 -4.157 -3.991 187 2HG LYS 22 HG1 LYS 22 11.009 -2.834 -3.222 188 1HD LYS 22 HD2 LYS 22 12.559 -3.212 -4.845 189 2HD LYS 22 HD1 LYS 22 13.064 -4.540 -3.801 190 1HE LYS 22 HE2 LYS 22 12.703 -5.796 -5.697 191 2HE LYS 22 HE1 LYS 22 11.011 -5.730 -5.167 192 1HZ LYS 22 HZ1 LYS 22 10.784 -3.631 -6.412 193 2HZ LYS 22 HZ2 LYS 22 11.160 -4.942 -7.425 194 3HZ LYS 22 HZ3 LYS 22 12.364 -3.818 -7.004 195 H ILE 23 HN ILE 23 11.305 -1.411 -1.690 196 HA ILE 23 HA ILE 23 13.855 -0.891 -3.001 197 HB ILE 23 HB ILE 23 11.514 0.813 -2.096 198 1HG1 ILE 23 2HG1 ILE 23 11.097 -0.761 -3.964 199 2HG1 ILE 23 1HG1 ILE 23 11.034 0.912 -4.514 200 1HG2 ILE 23 1HG2 ILE 23 13.296 2.365 -2.103 201 2HG2 ILE 23 2HG2 ILE 23 12.599 2.518 -3.715 202 3HG2 ILE 23 3HG2 ILE 23 14.081 1.592 -3.480 203 1HD1 ILE 23 1HD1 ILE 23 12.335 -0.280 -6.136 204 2HD1 ILE 23 2HD1 ILE 23 13.292 -1.071 -4.885 205 3HD1 ILE 23 3HD1 ILE 23 13.481 0.657 -5.179 206 H VAL 24 HN VAL 24 12.390 -0.010 0.114 207 HA VAL 24 HA VAL 24 14.747 1.428 1.070 208 HB VAL 24 HB VAL 24 12.281 0.322 2.464 209 1HG1 VAL 24 1HG1 VAL 24 14.353 2.348 3.369 210 2HG1 VAL 24 2HG1 VAL 24 14.064 0.757 4.076 211 3HG1 VAL 24 3HG1 VAL 24 12.838 2.018 4.213 212 1HG2 VAL 24 1HG2 VAL 24 11.654 2.819 2.372 213 2HG2 VAL 24 2HG2 VAL 24 11.559 1.924 0.856 214 3HG2 VAL 24 3HG2 VAL 24 12.936 2.979 1.173 215 H LEU 25 HN LEU 25 13.501 -1.851 1.239 216 HA LEU 25 HA LEU 25 15.134 -2.865 3.370 217 1HB LEU 25 HB2 LEU 25 13.212 -4.079 2.619 218 2HB LEU 25 HB1 LEU 25 13.757 -4.048 0.944 219 HG LEU 25 HG LEU 25 15.657 -5.511 1.533 220 1HD1 LEU 25 1HD1 LEU 25 14.388 -5.444 4.288 221 2HD1 LEU 25 2HD1 LEU 25 15.993 -4.856 3.851 222 3HD1 LEU 25 3HD1 LEU 25 15.643 -6.584 3.801 223 1HD2 LEU 25 1HD2 LEU 25 14.240 -7.539 2.209 224 2HD2 LEU 25 2HD2 LEU 25 13.722 -6.674 0.763 225 3HD2 LEU 25 3HD2 LEU 25 12.874 -6.426 2.289 226 H GLY 26 HN GLY 26 15.664 -2.681 -0.166 227 1HA GLY 26 HA2 GLY 26 18.160 -4.102 -0.177 228 2HA GLY 26 HA1 GLY 26 17.607 -3.010 -1.445 229 H TRP 27 HN TRP 27 17.437 -0.591 -0.104 230 HA TRP 27 HA TRP 27 20.282 0.093 0.205 231 1HB TRP 27 HB2 TRP 27 17.669 1.425 -0.213 232 2HB TRP 27 HB1 TRP 27 18.830 2.361 0.728 233 HD1 TRP 27 HD1 TRP 27 20.490 3.716 -0.630 234 HE1 TRP 27 HE1 TRP 27 21.382 3.665 -3.048 235 HE3 TRP 27 HE3 TRP 27 18.162 -0.497 -2.344 236 HZ2 TRP 27 HZ2 TRP 27 21.142 2.052 -5.398 237 HZ3 TRP 27 HZ3 TRP 27 18.512 -1.265 -4.674 238 HH2 TRP 27 HH2 TRP 27 19.998 0.003 -6.202 239 H ALA 28 HN ALA 28 21.099 -0.578 2.197 240 HA ALA 28 HA ALA 28 19.819 0.590 4.632 241 1HB ALA 28 HB1 ALA 28 19.005 -1.696 4.438 242 2HB ALA 28 HB2 ALA 28 20.194 -1.644 5.739 243 3HB ALA 28 HB3 ALA 28 20.640 -2.294 4.162 Start of MODEL 11 1 1H SER 1 HT1 SER 1 -14.076 12.376 -2.506 2 2H SER 1 HT2 SER 1 -14.373 13.099 -0.997 3 3H SER 1 HT3 SER 1 -15.464 13.327 -2.280 4 HA SER 1 HA SER 1 -16.333 11.710 -0.675 5 1HB SER 1 HB2 SER 1 -15.475 10.647 -3.387 6 2HB SER 1 HB1 SER 1 -16.811 10.019 -2.427 7 HG SER 1 HG SER 1 -17.271 11.666 -4.128 8 H GLY 2 HN GLY 2 -15.788 10.126 0.790 9 1HA GLY 2 HA2 GLY 2 -13.583 8.251 0.213 10 2HA GLY 2 HA1 GLY 2 -13.332 9.322 1.594 11 H ASN 3 HN ASN 3 -15.815 7.099 0.280 12 HA ASN 3 HA ASN 3 -16.659 6.493 3.082 13 1HB ASN 3 HB2 ASN 3 -18.665 5.525 1.877 14 2HB ASN 3 HB1 ASN 3 -18.418 7.246 1.603 15 1HD2 ASN 3 1HD2 ASN 3 -19.829 6.612 -0.399 16 2HD2 ASN 3 2HD2 ASN 3 -18.995 6.110 -1.789 17 H TYR 4 HN TYR 4 -17.738 3.946 1.290 18 HA TYR 4 HA TYR 4 -16.180 1.944 2.487 19 1HB TYR 4 HB2 TYR 4 -18.361 1.755 1.229 20 2HB TYR 4 HB1 TYR 4 -17.447 1.883 -0.271 21 HD1 TYR 4 HD1 TYR 4 -17.676 -0.261 -1.242 22 HD2 TYR 4 HD2 TYR 4 -16.494 0.096 2.876 23 HE1 TYR 4 HE1 TYR 4 -17.205 -2.693 -1.164 24 HE2 TYR 4 HE2 TYR 4 -16.023 -2.335 2.949 25 HH TYR 4 HH TYR 4 -17.143 -4.479 1.146 26 H VAL 5 HN VAL 5 -15.507 3.785 -0.477 27 HA VAL 5 HA VAL 5 -13.414 2.173 -1.556 28 HB VAL 5 HB VAL 5 -12.777 4.258 -2.717 29 1HG1 VAL 5 1HG1 VAL 5 -14.740 4.469 -3.936 30 2HG1 VAL 5 2HG1 VAL 5 -15.760 4.447 -2.497 31 3HG1 VAL 5 3HG1 VAL 5 -15.044 2.950 -3.093 32 1HG2 VAL 5 1HG2 VAL 5 -14.477 5.518 -0.559 33 2HG2 VAL 5 2HG2 VAL 5 -14.169 6.340 -2.088 34 3HG2 VAL 5 3HG2 VAL 5 -12.825 5.922 -1.026 35 H LEU 6 HN LEU 6 -13.347 4.659 1.007 36 HA LEU 6 HA LEU 6 -10.502 4.874 1.291 37 1HB LEU 6 HB2 LEU 6 -12.736 6.020 2.395 38 2HB LEU 6 HB1 LEU 6 -12.186 5.008 3.731 39 HG LEU 6 HG LEU 6 -10.198 6.714 2.255 40 1HD1 LEU 6 1HD1 LEU 6 -12.117 8.189 2.863 41 2HD1 LEU 6 2HD1 LEU 6 -10.654 8.577 3.767 42 3HD1 LEU 6 3HD1 LEU 6 -11.953 7.669 4.540 43 1HD2 LEU 6 1HD2 LEU 6 -9.000 6.591 4.333 44 2HD2 LEU 6 2HD2 LEU 6 -9.599 4.964 4.013 45 3HD2 LEU 6 3HD2 LEU 6 -10.418 5.990 5.190 46 H ASP 7 HN ASP 7 -12.887 2.699 2.822 47 HA ASP 7 HA ASP 7 -11.022 1.272 4.492 48 1HB ASP 7 HB2 ASP 7 -13.800 1.281 3.826 49 2HB ASP 7 HB1 ASP 7 -13.216 -0.365 3.592 50 H LEU 8 HN LEU 8 -12.038 0.948 1.122 51 HA LEU 8 HA LEU 8 -10.761 -1.636 0.661 52 1HB LEU 8 HB2 LEU 8 -12.498 0.220 -0.653 53 2HB LEU 8 HB1 LEU 8 -11.145 -0.109 -1.732 54 HG LEU 8 HG LEU 8 -11.731 -2.612 -0.712 55 1HD1 LEU 8 1HD1 LEU 8 -14.331 -1.155 -1.285 56 2HD1 LEU 8 2HD1 LEU 8 -13.801 -1.697 0.308 57 3HD1 LEU 8 3HD1 LEU 8 -14.160 -2.878 -0.952 58 1HD2 LEU 8 1HD2 LEU 8 -11.289 -1.721 -3.110 59 2HD2 LEU 8 2HD2 LEU 8 -13.040 -1.532 -3.212 60 3HD2 LEU 8 3HD2 LEU 8 -12.338 -3.128 -2.939 61 H ILE 9 HN ILE 9 -9.791 1.765 0.321 62 HA ILE 9 HA ILE 9 -7.521 1.567 -1.332 63 HB ILE 9 HB ILE 9 -8.227 3.213 1.101 64 1HG1 ILE 9 2HG1 ILE 9 -9.375 3.477 -1.163 65 2HG1 ILE 9 1HG1 ILE 9 -8.653 4.938 -0.499 66 1HG2 ILE 9 1HG2 ILE 9 -5.870 3.282 1.249 67 2HG2 ILE 9 2HG2 ILE 9 -6.275 4.712 0.300 68 3HG2 ILE 9 3HG2 ILE 9 -5.670 3.263 -0.503 69 1HD1 ILE 9 1HD1 ILE 9 -8.194 3.965 -3.038 70 2HD1 ILE 9 2HD1 ILE 9 -6.798 3.359 -2.149 71 3HD1 ILE 9 3HD1 ILE 9 -7.138 5.089 -2.184 72 H TYR 10 HN TYR 10 -7.959 0.438 1.959 73 HA TYR 10 HA TYR 10 -5.278 0.104 2.818 74 1HB TYR 10 HB2 TYR 10 -6.367 -0.887 4.559 75 2HB TYR 10 HB1 TYR 10 -7.843 -0.475 3.704 76 HD1 TYR 10 HD1 TYR 10 -5.568 -3.160 4.687 77 HD2 TYR 10 HD2 TYR 10 -9.004 -2.190 2.299 78 HE1 TYR 10 HE1 TYR 10 -6.116 -5.570 4.490 79 HE2 TYR 10 HE2 TYR 10 -9.551 -4.598 2.103 80 HH TYR 10 HH TYR 10 -7.657 -6.952 2.460 81 H SER 11 HN SER 11 -7.275 -1.944 0.699 82 HA SER 11 HA SER 11 -5.251 -4.039 0.409 83 1HB SER 11 HB2 SER 11 -7.774 -4.269 0.193 84 2HB SER 11 HB1 SER 11 -7.658 -3.384 -1.325 85 HG SER 11 HG SER 11 -6.178 -5.033 -2.024 86 H LEU 12 HN LEU 12 -6.150 -1.066 -1.259 87 HA LEU 12 HA LEU 12 -4.556 -1.550 -3.648 88 1HB LEU 12 HB2 LEU 12 -6.320 0.482 -2.483 89 2HB LEU 12 HB1 LEU 12 -4.957 1.199 -3.339 90 HG LEU 12 HG LEU 12 -6.885 -0.854 -4.468 91 1HD1 LEU 12 1HD1 LEU 12 -6.457 2.049 -5.234 92 2HD1 LEU 12 2HD1 LEU 12 -7.758 1.491 -4.181 93 3HD1 LEU 12 3HD1 LEU 12 -7.692 0.955 -5.859 94 1HD2 LEU 12 1HD2 LEU 12 -5.584 0.020 -6.620 95 2HD2 LEU 12 2HD2 LEU 12 -4.935 -1.302 -5.652 96 3HD2 LEU 12 3HD2 LEU 12 -4.309 0.333 -5.443 97 H HIS 13 HN HIS 13 -4.025 -0.129 -0.481 98 HA HIS 13 HA HIS 13 -1.489 1.151 -1.157 99 1HB HIS 13 HB2 HIS 13 -3.320 1.601 0.712 100 2HB HIS 13 HB1 HIS 13 -2.346 0.453 1.631 101 HD1 HIS 13 HD1 HIS 13 0.068 1.160 2.270 102 HD2 HIS 13 HD2 HIS 13 -2.012 4.078 0.141 103 HE1 HIS 13 HE1 HIS 13 1.423 3.292 2.464 104 H LYS 14 HN LYS 14 -2.464 -1.936 0.378 105 HA LYS 14 HA LYS 14 0.114 -2.719 1.315 106 1HB LYS 14 HB2 LYS 14 -0.870 -4.924 1.462 107 2HB LYS 14 HB1 LYS 14 -2.135 -3.755 1.829 108 1HG LYS 14 HG2 LYS 14 -3.342 -4.884 0.272 109 2HG LYS 14 HG1 LYS 14 -2.373 -3.988 -0.896 110 1HD LYS 14 HD2 LYS 14 -1.130 -5.811 -1.470 111 2HD LYS 14 HD1 LYS 14 -1.103 -6.437 0.179 112 1HE LYS 14 HE2 LYS 14 -3.806 -6.499 -0.931 113 2HE LYS 14 HE1 LYS 14 -2.667 -7.436 -1.917 114 1HZ LYS 14 HZ1 LYS 14 -3.541 -8.752 -0.063 115 2HZ LYS 14 HZ2 LYS 14 -2.929 -7.616 1.042 116 3HZ LYS 14 HZ3 LYS 14 -1.867 -8.527 0.078 117 H GLN 15 HN GLN 15 -1.269 -2.768 -1.912 118 HA GLN 15 HA GLN 15 0.702 -4.542 -3.101 119 1HB GLN 15 HB2 GLN 15 -1.709 -3.512 -3.833 120 2HB GLN 15 HB1 GLN 15 -0.631 -2.440 -4.727 121 1HG GLN 15 HG2 GLN 15 0.507 -4.415 -5.701 122 2HG GLN 15 HG1 GLN 15 -0.608 -5.472 -4.837 123 1HE2 GLN 15 1HE2 GLN 15 -0.275 -5.049 -7.826 124 2HE2 GLN 15 2HE2 GLN 15 -1.820 -4.616 -8.380 125 H ILE 16 HN ILE 16 0.316 -1.018 -2.873 126 HA ILE 16 HA ILE 16 2.712 -0.288 -4.289 127 HB ILE 16 HB ILE 16 1.020 1.047 -2.149 128 1HG1 ILE 16 2HG1 ILE 16 1.166 1.971 -4.985 129 2HG1 ILE 16 1HG1 ILE 16 0.308 0.461 -4.675 130 1HG2 ILE 16 1HG2 ILE 16 2.204 3.136 -3.336 131 2HG2 ILE 16 2HG2 ILE 16 3.498 1.956 -3.547 132 3HG2 ILE 16 3HG2 ILE 16 2.912 2.344 -1.928 133 1HD1 ILE 16 1HD1 ILE 16 -0.468 3.214 -4.021 134 2HD1 ILE 16 2HD1 ILE 16 -0.622 2.107 -2.658 135 3HD1 ILE 16 3HD1 ILE 16 -1.469 1.769 -4.167 136 H ASN 17 HN ASN 17 2.010 -1.065 -0.916 137 HA ASN 17 HA ASN 17 4.505 -0.315 0.272 138 1HB ASN 17 HB2 ASN 17 2.048 -1.503 0.986 139 2HB ASN 17 HB1 ASN 17 3.275 -2.682 1.436 140 1HD2 ASN 17 1HD2 ASN 17 2.728 -2.137 3.748 141 2HD2 ASN 17 2HD2 ASN 17 3.387 -0.736 4.444 142 H ARG 18 HN ARG 18 3.445 -3.297 -1.360 143 HA ARG 18 HA ARG 18 5.571 -5.044 -0.716 144 1HB ARG 18 HB2 ARG 18 3.930 -4.642 -3.236 145 2HB ARG 18 HB1 ARG 18 4.997 -6.024 -3.000 146 1HG ARG 18 HG2 ARG 18 3.254 -5.582 -0.698 147 2HG ARG 18 HG1 ARG 18 2.341 -5.856 -2.183 148 1HD ARG 18 HD2 ARG 18 3.835 -7.881 -2.599 149 2HD ARG 18 HD1 ARG 18 4.427 -7.671 -0.938 150 HE ARG 18 HE ARG 18 2.162 -8.073 -0.124 151 1HH1 ARG 18 1HH2 ARG 18 0.481 -7.071 -2.307 152 2HH1 ARG 18 2HH2 ARG 18 -0.048 -8.514 -3.105 153 1HH2 ARG 18 1HH1 ARG 18 2.407 -10.519 -1.673 154 2HH2 ARG 18 2HH1 ARG 18 1.049 -10.474 -2.746 155 H GLY 19 HN GLY 19 5.374 -2.674 -3.399 156 1HA GLY 19 HA2 GLY 19 8.149 -3.194 -4.201 157 2HA GLY 19 HA1 GLY 19 7.080 -1.970 -4.892 158 H LEU 20 HN LEU 20 6.357 -0.787 -2.331 159 HA LEU 20 HA LEU 20 8.360 1.214 -2.057 160 1HB LEU 20 HB2 LEU 20 5.971 1.415 -1.439 161 2HB LEU 20 HB1 LEU 20 6.217 0.263 -0.130 162 HG LEU 20 HG LEU 20 7.911 1.824 0.854 163 1HD1 LEU 20 1HD1 LEU 20 6.953 3.553 -1.439 164 2HD1 LEU 20 2HD1 LEU 20 8.611 3.093 -1.052 165 3HD1 LEU 20 3HD1 LEU 20 7.744 4.223 -0.013 166 1HD2 LEU 20 1HD2 LEU 20 6.209 3.531 1.593 167 2HD2 LEU 20 2HD2 LEU 20 5.653 1.863 1.731 168 3HD2 LEU 20 3HD2 LEU 20 5.102 2.869 0.391 169 H LYS 21 HN LYS 21 7.705 -1.671 -0.053 170 HA LYS 21 HA LYS 21 9.806 -1.159 1.854 171 1HB LYS 21 HB2 LYS 21 9.246 -3.328 2.684 172 2HB LYS 21 HB1 LYS 21 7.743 -2.668 2.046 173 1HG LYS 21 HG2 LYS 21 8.498 -3.869 -0.173 174 2HG LYS 21 HG1 LYS 21 9.488 -4.835 0.918 175 1HD LYS 21 HD2 LYS 21 6.557 -4.390 1.472 176 2HD LYS 21 HD1 LYS 21 7.088 -5.673 0.386 177 1HE LYS 21 HE2 LYS 21 7.525 -6.982 2.182 178 2HE LYS 21 HE1 LYS 21 8.724 -5.799 2.735 179 1HZ LYS 21 HZ1 LYS 21 6.795 -6.190 4.289 180 2HZ LYS 21 HZ2 LYS 21 5.805 -5.431 3.135 181 3HZ LYS 21 HZ3 LYS 21 7.076 -4.571 3.868 182 H LYS 22 HN LYS 22 9.743 -2.804 -1.268 183 HA LYS 22 HA LYS 22 12.291 -4.124 -1.066 184 1HB LYS 22 HB2 LYS 22 10.574 -4.643 -2.758 185 2HB LYS 22 HB1 LYS 22 10.735 -3.025 -3.438 186 1HG LYS 22 HG2 LYS 22 13.269 -4.538 -3.224 187 2HG LYS 22 HG1 LYS 22 12.097 -5.208 -4.356 188 1HD LYS 22 HD2 LYS 22 11.950 -2.524 -4.931 189 2HD LYS 22 HD1 LYS 22 13.656 -2.713 -4.529 190 1HE LYS 22 HE2 LYS 22 13.695 -3.248 -6.804 191 2HE LYS 22 HE1 LYS 22 13.428 -4.859 -6.110 192 1HZ LYS 22 HZ1 LYS 22 11.168 -3.046 -6.730 193 2HZ LYS 22 HZ2 LYS 22 11.141 -4.729 -6.489 194 3HZ LYS 22 HZ3 LYS 22 11.810 -4.081 -7.910 195 H ILE 23 HN ILE 23 11.333 -0.833 -1.836 196 HA ILE 23 HA ILE 23 13.949 0.008 -2.829 197 HB ILE 23 HB ILE 23 11.461 1.471 -1.878 198 1HG1 ILE 23 2HG1 ILE 23 12.435 1.319 -4.718 199 2HG1 ILE 23 1HG1 ILE 23 11.572 -0.059 -4.032 200 1HG2 ILE 23 1HG2 ILE 23 13.544 2.861 -1.708 201 2HG2 ILE 23 2HG2 ILE 23 12.392 3.475 -2.893 202 3HG2 ILE 23 3HG2 ILE 23 13.819 2.587 -3.428 203 1HD1 ILE 23 1HD1 ILE 23 10.016 1.499 -5.159 204 2HD1 ILE 23 2HD1 ILE 23 10.549 2.796 -4.089 205 3HD1 ILE 23 3HD1 ILE 23 9.689 1.405 -3.430 206 H VAL 24 HN VAL 24 12.352 -0.204 0.278 207 HA VAL 24 HA VAL 24 14.416 1.427 1.641 208 HB VAL 24 HB VAL 24 11.985 -0.102 2.637 209 1HG1 VAL 24 1HG1 VAL 24 13.796 1.926 3.982 210 2HG1 VAL 24 2HG1 VAL 24 13.573 0.238 4.444 211 3HG1 VAL 24 3HG1 VAL 24 12.251 1.388 4.642 212 1HG2 VAL 24 1HG2 VAL 24 10.889 1.590 1.584 213 2HG2 VAL 24 2HG2 VAL 24 12.363 2.539 1.385 214 3HG2 VAL 24 3HG2 VAL 24 11.476 2.596 2.907 215 H LEU 25 HN LEU 25 13.615 -1.908 1.015 216 HA LEU 25 HA LEU 25 15.495 -2.921 3.085 217 1HB LEU 25 HB2 LEU 25 13.600 -4.233 1.105 218 2HB LEU 25 HB1 LEU 25 14.560 -5.120 2.284 219 HG LEU 25 HG LEU 25 12.506 -2.991 2.931 220 1HD1 LEU 25 1HD1 LEU 25 11.551 -5.137 2.104 221 2HD1 LEU 25 2HD1 LEU 25 11.163 -4.840 3.799 222 3HD1 LEU 25 3HD1 LEU 25 12.430 -5.989 3.374 223 1HD2 LEU 25 1HD2 LEU 25 12.876 -4.003 5.285 224 2HD2 LEU 25 2HD2 LEU 25 14.128 -2.928 4.665 225 3HD2 LEU 25 3HD2 LEU 25 14.365 -4.675 4.620 226 H GLY 26 HN GLY 26 14.985 -3.125 -0.453 227 1HA GLY 26 HA2 GLY 26 17.749 -4.178 -0.761 228 2HA GLY 26 HA1 GLY 26 16.502 -4.203 -2.004 229 H TRP 27 HN TRP 27 15.872 -1.275 -1.308 230 HA TRP 27 HA TRP 27 16.481 0.829 -2.179 231 1HB TRP 27 HB2 TRP 27 18.782 -0.403 -0.873 232 2HB TRP 27 HB1 TRP 27 19.286 0.713 -2.140 233 HD1 TRP 27 HD1 TRP 27 17.905 3.186 -2.036 234 HE1 TRP 27 HE1 TRP 27 17.439 4.611 0.060 235 HE3 TRP 27 HE3 TRP 27 18.456 -0.368 1.589 236 HZ2 TRP 27 HZ2 TRP 27 17.317 4.288 2.899 237 HZ3 TRP 27 HZ3 TRP 27 18.159 0.219 3.979 238 HH2 TRP 27 HH2 TRP 27 17.591 2.540 4.638 239 H ALA 28 HN ALA 28 15.881 -1.060 -4.144 240 HA ALA 28 HA ALA 28 17.888 -0.426 -6.288 241 1HB ALA 28 HB1 ALA 28 16.233 -2.933 -5.836 242 2HB ALA 28 HB2 ALA 28 17.969 -2.779 -5.568 243 3HB ALA 28 HB3 ALA 28 17.316 -2.669 -7.203 Start of MODEL 12 1 1H SER 1 HT1 SER 1 -17.447 11.876 1.895 2 2H SER 1 HT2 SER 1 -17.118 11.976 3.559 3 3H SER 1 HT3 SER 1 -18.706 11.700 3.018 4 HA SER 1 HA SER 1 -16.399 9.828 2.840 5 1HB SER 1 HB2 SER 1 -18.104 8.490 4.221 6 2HB SER 1 HB1 SER 1 -17.386 9.886 5.017 7 HG SER 1 HG SER 1 -19.837 9.523 4.958 8 H GLY 2 HN GLY 2 -16.859 7.847 1.685 9 1HA GLY 2 HA2 GLY 2 -19.026 8.139 -0.352 10 2HA GLY 2 HA1 GLY 2 -17.557 7.189 -0.579 11 H ASN 3 HN ASN 3 -17.830 5.026 -0.357 12 HA ASN 3 HA ASN 3 -19.990 4.046 1.487 13 1HB ASN 3 HB2 ASN 3 -19.346 3.480 -1.379 14 2HB ASN 3 HB1 ASN 3 -19.941 2.139 -0.402 15 1HD2 ASN 3 1HD2 ASN 3 -20.912 4.948 -2.151 16 2HD2 ASN 3 2HD2 ASN 3 -22.528 4.978 -1.634 17 H TYR 4 HN TYR 4 -17.538 2.350 -0.490 18 HA TYR 4 HA TYR 4 -16.214 1.414 2.028 19 1HB TYR 4 HB2 TYR 4 -16.180 -0.880 0.838 20 2HB TYR 4 HB1 TYR 4 -17.713 -0.342 1.518 21 HD1 TYR 4 HD1 TYR 4 -15.742 -0.425 -1.662 22 HD2 TYR 4 HD2 TYR 4 -19.625 -0.111 0.150 23 HE1 TYR 4 HE1 TYR 4 -16.800 -0.600 -3.897 24 HE2 TYR 4 HE2 TYR 4 -20.682 -0.286 -2.086 25 HH TYR 4 HH TYR 4 -19.709 -1.453 -4.491 26 H VAL 5 HN VAL 5 -15.743 2.860 -0.965 27 HA VAL 5 HA VAL 5 -13.412 1.528 -1.970 28 HB VAL 5 HB VAL 5 -14.822 3.187 -3.192 29 1HG1 VAL 5 1HG1 VAL 5 -13.384 5.336 -1.627 30 2HG1 VAL 5 2HG1 VAL 5 -14.969 4.738 -1.138 31 3HG1 VAL 5 3HG1 VAL 5 -14.766 5.510 -2.710 32 1HG2 VAL 5 1HG2 VAL 5 -12.113 4.443 -3.137 33 2HG2 VAL 5 2HG2 VAL 5 -13.069 3.890 -4.513 34 3HG2 VAL 5 3HG2 VAL 5 -12.200 2.723 -3.518 35 H LEU 6 HN LEU 6 -13.767 4.189 0.414 36 HA LEU 6 HA LEU 6 -10.953 4.680 0.784 37 1HB LEU 6 HB2 LEU 6 -13.353 5.722 1.681 38 2HB LEU 6 HB1 LEU 6 -12.730 4.945 3.134 39 HG LEU 6 HG LEU 6 -11.952 7.262 3.038 40 1HD1 LEU 6 1HD1 LEU 6 -9.655 6.865 3.452 41 2HD1 LEU 6 2HD1 LEU 6 -9.587 5.545 2.286 42 3HD1 LEU 6 3HD1 LEU 6 -10.435 5.326 3.816 43 1HD2 LEU 6 1HD2 LEU 6 -10.641 6.485 0.414 44 2HD2 LEU 6 2HD2 LEU 6 -10.551 8.060 1.202 45 3HD2 LEU 6 3HD2 LEU 6 -12.086 7.484 0.554 46 H ASP 7 HN ASP 7 -13.262 2.452 2.321 47 HA ASP 7 HA ASP 7 -11.464 1.325 4.270 48 1HB ASP 7 HB2 ASP 7 -14.142 0.932 3.186 49 2HB ASP 7 HB1 ASP 7 -13.350 -0.615 3.478 50 H LEU 8 HN LEU 8 -12.120 0.660 0.859 51 HA LEU 8 HA LEU 8 -10.599 -1.829 0.731 52 1HB LEU 8 HB2 LEU 8 -12.366 -0.244 -0.875 53 2HB LEU 8 HB1 LEU 8 -10.905 -0.551 -1.812 54 HG LEU 8 HG LEU 8 -11.410 -2.994 -0.585 55 1HD1 LEU 8 1HD1 LEU 8 -13.639 -2.171 0.106 56 2HD1 LEU 8 2HD1 LEU 8 -13.777 -3.467 -1.083 57 3HD1 LEU 8 3HD1 LEU 8 -14.014 -1.790 -1.575 58 1HD2 LEU 8 1HD2 LEU 8 -12.220 -3.622 -2.924 59 2HD2 LEU 8 2HD2 LEU 8 -10.650 -2.821 -2.855 60 3HD2 LEU 8 3HD2 LEU 8 -12.083 -1.911 -3.335 61 H ILE 9 HN ILE 9 -9.885 1.607 0.200 62 HA ILE 9 HA ILE 9 -7.477 1.477 -1.260 63 HB ILE 9 HB ILE 9 -8.505 3.251 0.962 64 1HG1 ILE 9 2HG1 ILE 9 -9.531 3.234 -1.363 65 2HG1 ILE 9 1HG1 ILE 9 -8.940 4.801 -0.820 66 1HG2 ILE 9 1HG2 ILE 9 -5.872 3.431 -0.513 67 2HG2 ILE 9 2HG2 ILE 9 -6.157 3.510 1.226 68 3HG2 ILE 9 3HG2 ILE 9 -6.646 4.851 0.190 69 1HD1 ILE 9 1HD1 ILE 9 -7.099 4.753 -2.257 70 2HD1 ILE 9 2HD1 ILE 9 -8.325 3.943 -3.231 71 3HD1 ILE 9 3HD1 ILE 9 -7.110 2.995 -2.377 72 H TYR 10 HN TYR 10 -8.111 0.610 2.076 73 HA TYR 10 HA TYR 10 -5.511 0.577 3.195 74 1HB TYR 10 HB2 TYR 10 -6.683 -0.380 4.902 75 2HB TYR 10 HB1 TYR 10 -8.097 -0.188 3.880 76 HD1 TYR 10 HD1 TYR 10 -8.931 -2.110 2.508 77 HD2 TYR 10 HD2 TYR 10 -5.690 -2.541 5.295 78 HE1 TYR 10 HE1 TYR 10 -9.205 -4.571 2.446 79 HE2 TYR 10 HE2 TYR 10 -5.962 -5.004 5.228 80 HH TYR 10 HH TYR 10 -8.512 -6.547 4.339 81 H SER 11 HN SER 11 -7.106 -1.764 1.049 82 HA SER 11 HA SER 11 -4.901 -3.693 1.116 83 1HB SER 11 HB2 SER 11 -7.381 -4.140 0.696 84 2HB SER 11 HB1 SER 11 -7.170 -3.391 -0.884 85 HG SER 11 HG SER 11 -6.863 -5.827 -0.527 86 H LEU 12 HN LEU 12 -6.115 -1.190 -1.133 87 HA LEU 12 HA LEU 12 -4.266 -1.539 -3.262 88 1HB LEU 12 HB2 LEU 12 -6.133 0.465 -2.226 89 2HB LEU 12 HB1 LEU 12 -4.742 1.211 -3.008 90 HG LEU 12 HG LEU 12 -6.452 -0.961 -4.256 91 1HD1 LEU 12 1HD1 LEU 12 -6.357 1.949 -5.055 92 2HD1 LEU 12 2HD1 LEU 12 -7.517 1.357 -3.865 93 3HD1 LEU 12 3HD1 LEU 12 -7.542 0.725 -5.512 94 1HD2 LEU 12 1HD2 LEU 12 -5.230 -0.025 -6.341 95 2HD2 LEU 12 2HD2 LEU 12 -4.302 -1.057 -5.253 96 3HD2 LEU 12 3HD2 LEU 12 -4.103 0.694 -5.192 97 H HIS 13 HN HIS 13 -3.987 0.153 -0.180 98 HA HIS 13 HA HIS 13 -1.488 1.483 -0.621 99 1HB HIS 13 HB2 HIS 13 -3.298 1.725 1.222 100 2HB HIS 13 HB1 HIS 13 -2.486 0.373 2.012 101 HD1 HIS 13 HD1 HIS 13 -0.058 0.776 2.879 102 HD2 HIS 13 HD2 HIS 13 -1.852 4.165 1.250 103 HE1 HIS 13 HE1 HIS 13 1.389 2.745 3.551 104 H LYS 14 HN LYS 14 -2.292 -1.797 0.511 105 HA LYS 14 HA LYS 14 0.334 -2.593 1.345 106 1HB LYS 14 HB2 LYS 14 -1.954 -4.195 0.148 107 2HB LYS 14 HB1 LYS 14 -0.603 -4.879 1.046 108 1HG LYS 14 HG2 LYS 14 -2.798 -3.073 2.075 109 2HG LYS 14 HG1 LYS 14 -2.380 -4.693 2.621 110 1HD LYS 14 HD2 LYS 14 -0.036 -3.557 3.136 111 2HD LYS 14 HD1 LYS 14 -1.014 -2.090 3.192 112 1HE LYS 14 HE2 LYS 14 -1.846 -4.562 4.728 113 2HE LYS 14 HE1 LYS 14 -0.714 -3.381 5.420 114 1HZ LYS 14 HZ1 LYS 14 -3.039 -2.825 5.928 115 2HZ LYS 14 HZ2 LYS 14 -3.377 -2.721 4.267 116 3HZ LYS 14 HZ3 LYS 14 -2.299 -1.624 4.987 117 H GLN 15 HN GLN 15 -1.223 -2.433 -1.806 118 HA GLN 15 HA GLN 15 0.728 -3.966 -3.288 119 1HB GLN 15 HB2 GLN 15 -1.695 -3.101 -3.857 120 2HB GLN 15 HB1 GLN 15 -0.848 -1.656 -4.409 121 1HG GLN 15 HG2 GLN 15 -0.809 -2.863 -6.373 122 2HG GLN 15 HG1 GLN 15 0.674 -3.477 -5.642 123 1HE2 GLN 15 1HE2 GLN 15 -2.857 -4.225 -5.793 124 2HE2 GLN 15 2HE2 GLN 15 -2.652 -5.908 -5.692 125 H ILE 16 HN ILE 16 0.336 -0.509 -2.588 126 HA ILE 16 HA ILE 16 2.670 0.412 -4.012 127 HB ILE 16 HB ILE 16 0.967 1.450 -1.730 128 1HG1 ILE 16 2HG1 ILE 16 1.172 2.899 -4.297 129 2HG1 ILE 16 1HG1 ILE 16 0.481 1.281 -4.426 130 1HG2 ILE 16 1HG2 ILE 16 2.128 3.684 -2.303 131 2HG2 ILE 16 2HG2 ILE 16 3.390 2.692 -3.032 132 3HG2 ILE 16 3HG2 ILE 16 3.028 2.536 -1.313 133 1HD1 ILE 16 1HD1 ILE 16 -0.653 3.704 -3.218 134 2HD1 ILE 16 2HD1 ILE 16 -0.766 2.286 -2.175 135 3HD1 ILE 16 3HD1 ILE 16 -1.466 2.248 -3.793 136 H ASN 17 HN ASN 17 2.072 -0.771 -0.744 137 HA ASN 17 HA ASN 17 4.677 -0.178 0.360 138 1HB ASN 17 HB2 ASN 17 2.171 -1.438 1.096 139 2HB ASN 17 HB1 ASN 17 3.528 -2.409 1.664 140 1HD2 ASN 17 1HD2 ASN 17 2.206 0.925 1.743 141 2HD2 ASN 17 2HD2 ASN 17 2.984 1.362 3.188 142 H ARG 18 HN ARG 18 3.304 -2.954 -1.393 143 HA ARG 18 HA ARG 18 5.362 -4.873 -0.939 144 1HB ARG 18 HB2 ARG 18 3.287 -4.300 -3.021 145 2HB ARG 18 HB1 ARG 18 4.518 -5.504 -3.403 146 1HG ARG 18 HG2 ARG 18 3.948 -6.813 -1.461 147 2HG ARG 18 HG1 ARG 18 2.876 -5.549 -0.860 148 1HD ARG 18 HD2 ARG 18 1.972 -6.088 -3.478 149 2HD ARG 18 HD1 ARG 18 2.284 -7.673 -2.744 150 HE ARG 18 HE ARG 18 0.978 -6.042 -0.802 151 1HH1 ARG 18 1HH2 ARG 18 0.188 -8.839 -1.810 152 2HH1 ARG 18 2HH2 ARG 18 -1.400 -8.523 -2.423 153 1HH2 ARG 18 1HH1 ARG 18 -0.985 -5.076 -2.466 154 2HH2 ARG 18 2HH1 ARG 18 -2.064 -6.386 -2.800 155 H GLY 19 HN GLY 19 5.104 -2.270 -3.362 156 1HA GLY 19 HA2 GLY 19 7.705 -2.971 -4.553 157 2HA GLY 19 HA1 GLY 19 6.671 -1.628 -5.038 158 H LEU 20 HN LEU 20 6.457 -0.872 -2.072 159 HA LEU 20 HA LEU 20 8.727 0.971 -2.045 160 1HB LEU 20 HB2 LEU 20 6.510 1.682 -1.353 161 2HB LEU 20 HB1 LEU 20 6.416 0.377 -0.174 162 HG LEU 20 HG LEU 20 8.279 1.365 1.093 163 1HD1 LEU 20 1HD1 LEU 20 8.767 3.855 0.306 164 2HD1 LEU 20 2HD1 LEU 20 8.318 3.207 -1.271 165 3HD1 LEU 20 3HD1 LEU 20 9.666 2.502 -0.379 166 1HD2 LEU 20 1HD2 LEU 20 5.888 2.073 1.488 167 2HD2 LEU 20 2HD2 LEU 20 6.194 3.474 0.460 168 3HD2 LEU 20 3HD2 LEU 20 7.083 3.276 1.971 169 H LYS 21 HN LYS 21 7.699 -1.877 -0.188 170 HA LYS 21 HA LYS 21 9.694 -1.776 1.851 171 1HB LYS 21 HB2 LYS 21 9.040 -4.092 2.241 172 2HB LYS 21 HB1 LYS 21 7.605 -3.159 1.819 173 1HG LYS 21 HG2 LYS 21 7.642 -3.999 -0.446 174 2HG LYS 21 HG1 LYS 21 9.204 -4.774 -0.188 175 1HD LYS 21 HD2 LYS 21 7.254 -5.608 1.809 176 2HD LYS 21 HD1 LYS 21 6.694 -5.951 0.172 177 1HE LYS 21 HE2 LYS 21 9.195 -6.835 -0.132 178 2HE LYS 21 HE1 LYS 21 9.073 -7.050 1.626 179 1HZ LYS 21 HZ1 LYS 21 7.264 -8.140 -0.462 180 2HZ LYS 21 HZ2 LYS 21 6.859 -8.120 1.189 181 3HZ LYS 21 HZ3 LYS 21 8.203 -9.010 0.651 182 H LYS 22 HN LYS 22 9.835 -3.060 -1.447 183 HA LYS 22 HA LYS 22 12.398 -4.407 -1.045 184 1HB LYS 22 HB2 LYS 22 12.218 -4.873 -3.407 185 2HB LYS 22 HB1 LYS 22 10.598 -5.000 -2.732 186 1HG LYS 22 HG2 LYS 22 9.941 -3.538 -4.319 187 2HG LYS 22 HG1 LYS 22 10.833 -2.305 -3.432 188 1HD LYS 22 HD2 LYS 22 12.757 -2.552 -4.782 189 2HD LYS 22 HD1 LYS 22 12.220 -4.112 -5.410 190 1HE LYS 22 HE2 LYS 22 10.219 -2.810 -6.421 191 2HE LYS 22 HE1 LYS 22 11.192 -1.357 -6.115 192 1HZ LYS 22 HZ1 LYS 22 11.661 -2.296 -8.313 193 2HZ LYS 22 HZ2 LYS 22 12.119 -3.766 -7.596 194 3HZ LYS 22 HZ3 LYS 22 13.029 -2.359 -7.313 195 H ILE 23 HN ILE 23 11.405 -1.156 -1.785 196 HA ILE 23 HA ILE 23 13.936 -0.320 -2.993 197 HB ILE 23 HB ILE 23 11.501 1.091 -1.859 198 1HG1 ILE 23 2HG1 ILE 23 11.242 -0.150 -4.005 199 2HG1 ILE 23 1HG1 ILE 23 11.040 1.587 -4.215 200 1HG2 ILE 23 1HG2 ILE 23 13.137 2.734 -1.532 201 2HG2 ILE 23 2HG2 ILE 23 12.574 3.091 -3.166 202 3HG2 ILE 23 3HG2 ILE 23 14.083 2.210 -2.926 203 1HD1 ILE 23 1HD1 ILE 23 13.509 -0.049 -4.863 204 2HD1 ILE 23 2HD1 ILE 23 13.463 1.714 -4.900 205 3HD1 ILE 23 3HD1 ILE 23 12.455 0.781 -6.006 206 H VAL 24 HN VAL 24 12.421 -0.183 0.207 207 HA VAL 24 HA VAL 24 14.675 1.218 1.453 208 HB VAL 24 HB VAL 24 12.255 -0.251 2.564 209 1HG1 VAL 24 1HG1 VAL 24 14.388 1.455 3.838 210 2HG1 VAL 24 2HG1 VAL 24 13.738 -0.091 4.383 211 3HG1 VAL 24 3HG1 VAL 24 12.770 1.376 4.534 212 1HG2 VAL 24 1HG2 VAL 24 12.785 2.631 1.807 213 2HG2 VAL 24 2HG2 VAL 24 11.492 2.182 2.920 214 3HG2 VAL 24 3HG2 VAL 24 11.474 1.586 1.261 215 H LEU 25 HN LEU 25 13.574 -2.099 1.052 216 HA LEU 25 HA LEU 25 15.311 -3.359 2.976 217 1HB LEU 25 HB2 LEU 25 13.333 -4.445 2.109 218 2HB LEU 25 HB1 LEU 25 13.900 -4.272 0.451 219 HG LEU 25 HG LEU 25 15.766 -5.797 0.905 220 1HD1 LEU 25 1HD1 LEU 25 15.831 -7.008 3.091 221 2HD1 LEU 25 2HD1 LEU 25 14.561 -5.940 3.687 222 3HD1 LEU 25 3HD1 LEU 25 16.141 -5.280 3.265 223 1HD2 LEU 25 1HD2 LEU 25 13.481 -6.663 0.238 224 2HD2 LEU 25 2HD2 LEU 25 13.191 -7.013 1.942 225 3HD2 LEU 25 3HD2 LEU 25 14.491 -7.837 1.081 226 H GLY 26 HN GLY 26 15.751 -2.361 -0.399 227 1HA GLY 26 HA2 GLY 26 18.082 -3.875 -1.012 228 2HA GLY 26 HA1 GLY 26 17.658 -2.338 -1.766 229 H TRP 27 HN TRP 27 18.480 -0.373 -0.819 230 HA TRP 27 HA TRP 27 20.169 -0.386 1.548 231 1HB TRP 27 HB2 TRP 27 22.320 -0.216 0.430 232 2HB TRP 27 HB1 TRP 27 21.517 -1.667 -0.160 233 HD1 TRP 27 HD1 TRP 27 20.187 -1.364 -2.581 234 HE1 TRP 27 HE1 TRP 27 20.891 0.023 -4.636 235 HE3 TRP 27 HE3 TRP 27 23.544 1.808 -0.401 236 HZ2 TRP 27 HZ2 TRP 27 22.647 2.190 -5.273 237 HZ3 TRP 27 HZ3 TRP 27 24.718 3.520 -1.753 238 HH2 TRP 27 HH2 TRP 27 24.274 3.716 -4.185 239 H ALA 28 HN ALA 28 21.379 1.766 1.714 240 HA ALA 28 HA ALA 28 21.470 4.115 1.557 241 1HB ALA 28 HB1 ALA 28 21.265 3.244 -0.998 242 2HB ALA 28 HB2 ALA 28 21.310 4.955 -0.575 243 3HB ALA 28 HB3 ALA 28 19.765 4.164 -0.882 Start of MODEL 13 1 1H SER 1 HT1 SER 1 -20.034 1.272 -0.281 2 2H SER 1 HT2 SER 1 -20.787 1.296 -1.803 3 3H SER 1 HT3 SER 1 -21.702 1.564 -0.396 4 HA SER 1 HA SER 1 -19.550 3.361 -1.405 5 1HB SER 1 HB2 SER 1 -21.622 4.809 -1.832 6 2HB SER 1 HB1 SER 1 -21.432 3.415 -2.890 7 HG SER 1 HG SER 1 -23.560 3.859 -1.740 8 H GLY 2 HN GLY 2 -19.054 5.046 0.026 9 1HA GLY 2 HA2 GLY 2 -19.339 6.467 1.925 10 2HA GLY 2 HA1 GLY 2 -20.746 5.513 2.399 11 H ASN 3 HN ASN 3 -17.398 6.012 2.913 12 HA ASN 3 HA ASN 3 -15.856 5.006 4.391 13 1HB ASN 3 HB2 ASN 3 -18.579 4.608 5.434 14 2HB ASN 3 HB1 ASN 3 -17.405 3.461 6.071 15 1HD2 ASN 3 1HD2 ASN 3 -18.386 6.831 6.092 16 2HD2 ASN 3 2HD2 ASN 3 -17.229 7.357 7.216 17 H TYR 4 HN TYR 4 -16.938 3.465 1.919 18 HA TYR 4 HA TYR 4 -16.234 0.687 2.798 19 1HB TYR 4 HB2 TYR 4 -18.469 0.987 1.835 20 2HB TYR 4 HB1 TYR 4 -17.784 1.794 0.427 21 HD1 TYR 4 HD1 TYR 4 -18.009 -1.448 2.229 22 HD2 TYR 4 HD2 TYR 4 -16.819 0.555 -1.381 23 HE1 TYR 4 HE1 TYR 4 -17.719 -3.640 1.107 24 HE2 TYR 4 HE2 TYR 4 -16.529 -1.637 -2.501 25 HH TYR 4 HH TYR 4 -16.129 -4.393 -1.076 26 H VAL 5 HN VAL 5 -15.926 2.772 -0.118 27 HA VAL 5 HA VAL 5 -13.718 1.344 -1.254 28 HB VAL 5 HB VAL 5 -15.231 2.900 -2.460 29 1HG1 VAL 5 1HG1 VAL 5 -15.079 5.293 -2.184 30 2HG1 VAL 5 2HG1 VAL 5 -13.739 5.130 -1.051 31 3HG1 VAL 5 3HG1 VAL 5 -15.354 4.592 -0.589 32 1HG2 VAL 5 1HG2 VAL 5 -13.422 2.745 -3.831 33 2HG2 VAL 5 2HG2 VAL 5 -12.282 3.078 -2.529 34 3HG2 VAL 5 3HG2 VAL 5 -13.119 4.408 -3.328 35 H LEU 6 HN LEU 6 -13.815 4.177 0.948 36 HA LEU 6 HA LEU 6 -11.015 4.759 0.981 37 1HB LEU 6 HB2 LEU 6 -13.301 5.052 2.943 38 2HB LEU 6 HB1 LEU 6 -11.677 5.603 3.352 39 HG LEU 6 HG LEU 6 -13.014 6.448 0.779 40 1HD1 LEU 6 1HD1 LEU 6 -14.547 7.130 2.530 41 2HD1 LEU 6 2HD1 LEU 6 -13.642 8.551 2.008 42 3HD1 LEU 6 3HD1 LEU 6 -13.216 7.739 3.515 43 1HD2 LEU 6 1HD2 LEU 6 -11.442 8.364 1.046 44 2HD2 LEU 6 2HD2 LEU 6 -10.597 6.819 0.970 45 3HD2 LEU 6 3HD2 LEU 6 -10.824 7.625 2.523 46 H ASP 7 HN ASP 7 -12.966 2.424 2.824 47 HA ASP 7 HA ASP 7 -10.845 1.488 4.552 48 1HB ASP 7 HB2 ASP 7 -13.623 0.887 3.854 49 2HB ASP 7 HB1 ASP 7 -12.693 -0.584 4.136 50 H LEU 8 HN LEU 8 -12.002 0.601 1.322 51 HA LEU 8 HA LEU 8 -10.380 -1.788 1.019 52 1HB LEU 8 HB2 LEU 8 -12.368 -0.254 -0.388 53 2HB LEU 8 HB1 LEU 8 -11.038 -0.615 -1.486 54 HG LEU 8 HG LEU 8 -11.369 -3.000 -0.114 55 1HD1 LEU 8 1HD1 LEU 8 -14.103 -1.842 -0.756 56 2HD1 LEU 8 2HD1 LEU 8 -13.474 -2.111 0.869 57 3HD1 LEU 8 3HD1 LEU 8 -13.776 -3.483 -0.197 58 1HD2 LEU 8 1HD2 LEU 8 -12.747 -2.236 -2.709 59 2HD2 LEU 8 2HD2 LEU 8 -12.194 -3.841 -2.229 60 3HD2 LEU 8 3HD2 LEU 8 -11.020 -2.573 -2.581 61 H ILE 9 HN ILE 9 -9.832 1.658 0.432 62 HA ILE 9 HA ILE 9 -7.656 1.633 -1.356 63 HB ILE 9 HB ILE 9 -8.270 3.305 1.099 64 1HG1 ILE 9 2HG1 ILE 9 -9.851 3.315 -0.885 65 2HG1 ILE 9 1HG1 ILE 9 -9.179 4.888 -0.472 66 1HG2 ILE 9 1HG2 ILE 9 -6.079 3.595 -0.955 67 2HG2 ILE 9 2HG2 ILE 9 -5.959 3.689 0.802 68 3HG2 ILE 9 3HG2 ILE 9 -6.723 4.997 -0.101 69 1HD1 ILE 9 1HD1 ILE 9 -7.471 4.624 -2.238 70 2HD1 ILE 9 2HD1 ILE 9 -9.098 4.512 -2.907 71 3HD1 ILE 9 3HD1 ILE 9 -8.149 3.049 -2.653 72 H TYR 10 HN TYR 10 -7.788 0.718 2.024 73 HA TYR 10 HA TYR 10 -5.041 0.681 2.729 74 1HB TYR 10 HB2 TYR 10 -5.970 -0.173 4.626 75 2HB TYR 10 HB1 TYR 10 -7.517 -0.033 3.807 76 HD1 TYR 10 HD1 TYR 10 -8.557 -2.019 2.721 77 HD2 TYR 10 HD2 TYR 10 -4.876 -2.315 4.915 78 HE1 TYR 10 HE1 TYR 10 -8.813 -4.480 2.817 79 HE2 TYR 10 HE2 TYR 10 -5.131 -4.778 5.007 80 HH TYR 10 HH TYR 10 -6.391 -6.556 3.502 81 H SER 11 HN SER 11 -6.985 -1.761 0.993 82 HA SER 11 HA SER 11 -4.810 -3.700 0.798 83 1HB SER 11 HB2 SER 11 -7.401 -3.994 0.700 84 2HB SER 11 HB1 SER 11 -7.245 -3.519 -0.989 85 HG SER 11 HG SER 11 -7.108 -5.834 -0.541 86 H LEU 12 HN LEU 12 -6.196 -1.172 -1.295 87 HA LEU 12 HA LEU 12 -4.662 -1.690 -3.655 88 1HB LEU 12 HB2 LEU 12 -6.638 0.052 -2.830 89 2HB LEU 12 HB1 LEU 12 -5.248 1.126 -2.971 90 HG LEU 12 HG LEU 12 -6.458 1.037 -5.099 91 1HD1 LEU 12 1HD1 LEU 12 -3.896 1.110 -4.986 92 2HD1 LEU 12 2HD1 LEU 12 -4.598 0.611 -6.525 93 3HD1 LEU 12 3HD1 LEU 12 -3.935 -0.597 -5.425 94 1HD2 LEU 12 1HD2 LEU 12 -6.879 -0.981 -6.278 95 2HD2 LEU 12 2HD2 LEU 12 -7.309 -1.351 -4.609 96 3HD2 LEU 12 3HD2 LEU 12 -5.767 -1.901 -5.265 97 H HIS 13 HN HIS 13 -4.050 0.290 -0.782 98 HA HIS 13 HA HIS 13 -1.515 1.376 -1.642 99 1HB HIS 13 HB2 HIS 13 -3.257 1.973 0.292 100 2HB HIS 13 HB1 HIS 13 -2.211 0.917 1.241 101 HD1 HIS 13 HD1 HIS 13 -0.530 2.291 2.465 102 HD2 HIS 13 HD2 HIS 13 -1.284 3.835 -1.336 103 HE1 HIS 13 HE1 HIS 13 1.004 4.285 2.181 104 H LYS 14 HN LYS 14 -2.477 -1.580 0.058 105 HA LYS 14 HA LYS 14 0.026 -2.444 1.075 106 1HB LYS 14 HB2 LYS 14 -2.604 -3.412 0.724 107 2HB LYS 14 HB1 LYS 14 -1.562 -4.596 -0.065 108 1HG LYS 14 HG2 LYS 14 -0.527 -3.665 2.525 109 2HG LYS 14 HG1 LYS 14 -2.076 -4.499 2.638 110 1HD LYS 14 HD2 LYS 14 -0.419 -5.936 0.797 111 2HD LYS 14 HD1 LYS 14 0.508 -5.649 2.268 112 1HE LYS 14 HE2 LYS 14 -2.335 -6.591 2.531 113 2HE LYS 14 HE1 LYS 14 -1.074 -7.768 2.113 114 1HZ LYS 14 HZ1 LYS 14 -1.256 -7.551 4.512 115 2HZ LYS 14 HZ2 LYS 14 -1.004 -5.873 4.409 116 3HZ LYS 14 HZ3 LYS 14 0.242 -6.952 3.989 117 H GLN 15 HN GLN 15 -1.366 -2.738 -2.167 118 HA GLN 15 HA GLN 15 0.705 -4.395 -3.312 119 1HB GLN 15 HB2 GLN 15 -1.265 -2.402 -4.481 120 2HB GLN 15 HB1 GLN 15 -0.296 -3.508 -5.455 121 1HG GLN 15 HG2 GLN 15 -1.347 -5.433 -4.460 122 2HG GLN 15 HG1 GLN 15 -2.152 -4.435 -3.246 123 1HE2 GLN 15 1HE2 GLN 15 -2.368 -5.633 -6.518 124 2HE2 GLN 15 2HE2 GLN 15 -3.821 -4.854 -6.918 125 H ILE 16 HN ILE 16 0.210 -0.894 -3.095 126 HA ILE 16 HA ILE 16 2.580 -0.150 -4.599 127 HB ILE 16 HB ILE 16 0.691 1.235 -2.673 128 1HG1 ILE 16 2HG1 ILE 16 1.121 1.821 -5.602 129 2HG1 ILE 16 1HG1 ILE 16 0.075 0.494 -5.096 130 1HG2 ILE 16 1HG2 ILE 16 1.815 3.353 -3.714 131 2HG2 ILE 16 2HG2 ILE 16 3.174 2.272 -4.025 132 3HG2 ILE 16 3HG2 ILE 16 2.619 2.538 -2.372 133 1HD1 ILE 16 1HD1 ILE 16 -1.109 2.709 -5.464 134 2HD1 ILE 16 2HD1 ILE 16 -0.234 3.323 -4.062 135 3HD1 ILE 16 3HD1 ILE 16 -1.364 1.982 -3.879 136 H ASN 17 HN ASN 17 1.880 -0.909 -1.248 137 HA ASN 17 HA ASN 17 4.335 0.152 -0.110 138 1HB ASN 17 HB2 ASN 17 1.889 -1.143 0.702 139 2HB ASN 17 HB1 ASN 17 3.253 -1.951 1.472 140 1HD2 ASN 17 1HD2 ASN 17 1.539 1.143 1.207 141 2HD2 ASN 17 2HD2 ASN 17 2.325 1.887 2.515 142 H ARG 18 HN ARG 18 3.346 -2.974 -1.479 143 HA ARG 18 HA ARG 18 5.419 -4.660 -0.565 144 1HB ARG 18 HB2 ARG 18 3.756 -4.434 -3.063 145 2HB ARG 18 HB1 ARG 18 5.019 -5.662 -2.977 146 1HG ARG 18 HG2 ARG 18 3.338 -5.526 -0.564 147 2HG ARG 18 HG1 ARG 18 2.453 -5.976 -2.023 148 1HD ARG 18 HD2 ARG 18 3.418 -8.034 -2.076 149 2HD ARG 18 HD1 ARG 18 5.039 -7.353 -1.825 150 HE ARG 18 HE ARG 18 4.247 -7.082 0.643 151 1HH1 ARG 18 1HH1 ARG 18 1.587 -8.405 0.106 152 2HH1 ARG 18 2HH1 ARG 18 1.892 -10.031 0.616 153 1HH2 ARG 18 1HH2 ARG 18 5.350 -9.661 0.595 154 2HH2 ARG 18 2HH2 ARG 18 4.034 -10.747 0.895 155 H GLY 19 HN GLY 19 5.394 -2.597 -3.506 156 1HA GLY 19 HA2 GLY 19 8.140 -3.151 -4.208 157 2HA GLY 19 HA1 GLY 19 7.173 -1.815 -4.834 158 H LEU 20 HN LEU 20 6.539 -0.616 -2.304 159 HA LEU 20 HA LEU 20 8.763 1.119 -1.899 160 1HB LEU 20 HB2 LEU 20 6.599 1.878 -1.317 161 2HB LEU 20 HB1 LEU 20 6.238 0.416 -0.406 162 HG LEU 20 HG LEU 20 7.954 1.084 1.279 163 1HD1 LEU 20 1HD1 LEU 20 8.062 3.589 -0.428 164 2HD1 LEU 20 2HD1 LEU 20 9.389 2.472 -0.108 165 3HD1 LEU 20 3HD1 LEU 20 8.739 3.468 1.195 166 1HD2 LEU 20 1HD2 LEU 20 6.542 2.614 2.394 167 2HD2 LEU 20 2HD2 LEU 20 5.446 1.755 1.312 168 3HD2 LEU 20 3HD2 LEU 20 6.021 3.367 0.886 169 H LYS 21 HN LYS 21 7.679 -1.742 -0.097 170 HA LYS 21 HA LYS 21 9.562 -1.631 2.047 171 1HB LYS 21 HB2 LYS 21 7.663 -3.507 0.830 172 2HB LYS 21 HB1 LYS 21 9.049 -4.318 1.559 173 1HG LYS 21 HG2 LYS 21 7.405 -4.098 3.293 174 2HG LYS 21 HG1 LYS 21 8.652 -2.897 3.629 175 1HD LYS 21 HD2 LYS 21 7.121 -1.330 2.160 176 2HD LYS 21 HD1 LYS 21 5.865 -2.492 2.585 177 1HE LYS 21 HE2 LYS 21 5.767 -1.760 4.745 178 2HE LYS 21 HE1 LYS 21 7.533 -1.644 4.875 179 1HZ LYS 21 HZ1 LYS 21 5.732 0.267 3.474 180 2HZ LYS 21 HZ2 LYS 21 7.432 0.342 3.442 181 3HZ LYS 21 HZ3 LYS 21 6.597 0.561 4.905 182 H LYS 22 HN LYS 22 9.786 -3.065 -1.189 183 HA LYS 22 HA LYS 22 12.353 -4.346 -0.790 184 1HB LYS 22 HB2 LYS 22 10.625 -4.888 -2.536 185 2HB LYS 22 HB1 LYS 22 11.020 -3.367 -3.337 186 1HG LYS 22 HG2 LYS 22 13.428 -4.888 -2.755 187 2HG LYS 22 HG1 LYS 22 12.296 -5.839 -3.716 188 1HD LYS 22 HD2 LYS 22 12.453 -3.087 -4.663 189 2HD LYS 22 HD1 LYS 22 14.033 -3.871 -4.680 190 1HE LYS 22 HE2 LYS 22 13.437 -5.309 -6.356 191 2HE LYS 22 HE1 LYS 22 11.807 -5.549 -5.698 192 1HZ LYS 22 HZ1 LYS 22 11.719 -4.270 -7.750 193 2HZ LYS 22 HZ2 LYS 22 12.772 -3.107 -7.098 194 3HZ LYS 22 HZ3 LYS 22 11.219 -3.317 -6.439 195 H ILE 23 HN ILE 23 11.341 -1.136 -1.869 196 HA ILE 23 HA ILE 23 13.913 -0.247 -2.833 197 HB ILE 23 HB ILE 23 11.435 1.160 -1.788 198 1HG1 ILE 23 2HG1 ILE 23 12.479 1.004 -4.624 199 2HG1 ILE 23 1HG1 ILE 23 11.415 -0.234 -3.957 200 1HG2 ILE 23 1HG2 ILE 23 13.378 2.645 -1.514 201 2HG2 ILE 23 2HG2 ILE 23 12.357 3.208 -2.837 202 3HG2 ILE 23 3HG2 ILE 23 13.855 2.345 -3.185 203 1HD1 ILE 23 1HD1 ILE 23 10.833 2.679 -4.457 204 2HD1 ILE 23 2HD1 ILE 23 9.898 1.772 -3.268 205 3HD1 ILE 23 3HD1 ILE 23 9.905 1.266 -4.957 206 H VAL 24 HN VAL 24 12.429 -0.411 0.343 207 HA VAL 24 HA VAL 24 14.551 1.200 1.620 208 HB VAL 24 HB VAL 24 12.150 -0.341 2.665 209 1HG1 VAL 24 1HG1 VAL 24 12.515 1.006 4.741 210 2HG1 VAL 24 2HG1 VAL 24 14.034 1.588 4.059 211 3HG1 VAL 24 3HG1 VAL 24 13.830 -0.126 4.422 212 1HG2 VAL 24 1HG2 VAL 24 11.100 1.850 2.858 213 2HG2 VAL 24 2HG2 VAL 24 11.666 1.639 1.201 214 3HG2 VAL 24 3HG2 VAL 24 12.581 2.645 2.324 215 H LEU 25 HN LEU 25 13.412 -2.158 1.526 216 HA LEU 25 HA LEU 25 15.459 -3.202 3.310 217 1HB LEU 25 HB2 LEU 25 13.321 -4.300 3.084 218 2HB LEU 25 HB1 LEU 25 13.493 -4.398 1.335 219 HG LEU 25 HG LEU 25 15.364 -5.952 1.567 220 1HD1 LEU 25 1HD1 LEU 25 14.937 -5.462 4.526 221 2HD1 LEU 25 2HD1 LEU 25 16.415 -5.220 3.594 222 3HD1 LEU 25 3HD1 LEU 25 15.831 -6.853 3.913 223 1HD2 LEU 25 1HD2 LEU 25 12.903 -6.652 3.193 224 2HD2 LEU 25 2HD2 LEU 25 14.119 -7.837 2.716 225 3HD2 LEU 25 3HD2 LEU 25 13.188 -6.986 1.484 226 H GLY 26 HN GLY 26 15.027 -3.152 -0.247 227 1HA GLY 26 HA2 GLY 26 17.676 -4.404 -0.633 228 2HA GLY 26 HA1 GLY 26 16.525 -4.004 -1.907 229 H TRP 27 HN TRP 27 16.032 -1.352 -1.534 230 HA TRP 27 HA TRP 27 16.904 0.777 -2.026 231 1HB TRP 27 HB2 TRP 27 17.858 0.001 0.338 232 2HB TRP 27 HB1 TRP 27 19.393 0.033 -0.530 233 HD1 TRP 27 HD1 TRP 27 19.925 2.415 -1.862 234 HE1 TRP 27 HE1 TRP 27 19.424 4.825 -1.101 235 HE3 TRP 27 HE3 TRP 27 16.368 1.498 1.682 236 HZ2 TRP 27 HZ2 TRP 27 17.737 6.186 0.766 237 HZ3 TRP 27 HZ3 TRP 27 15.330 3.366 2.936 238 HH2 TRP 27 HH2 TRP 27 16.011 5.708 2.483 239 H ALA 28 HN ALA 28 17.164 -0.194 -4.299 240 HA ALA 28 HA ALA 28 19.996 -0.692 -5.084 241 1HB ALA 28 HB1 ALA 28 18.082 -0.765 -7.239 242 2HB ALA 28 HB2 ALA 28 17.425 -1.637 -5.855 243 3HB ALA 28 HB3 ALA 28 18.986 -2.102 -6.530 Start of MODEL 14 1 1H SER 1 HT1 SER 1 -19.910 3.746 10.183 2 2H SER 1 HT2 SER 1 -18.514 4.435 10.866 3 3H SER 1 HT3 SER 1 -18.531 3.992 9.225 4 HA SER 1 HA SER 1 -20.196 6.141 10.446 5 1HB SER 1 HB2 SER 1 -17.802 6.265 8.587 6 2HB SER 1 HB1 SER 1 -18.624 7.629 9.336 7 HG SER 1 HG SER 1 -16.972 7.251 10.682 8 H GLY 2 HN GLY 2 -18.837 5.081 7.285 9 1HA GLY 2 HA2 GLY 2 -21.031 4.290 5.881 10 2HA GLY 2 HA1 GLY 2 -21.250 6.041 5.907 11 H ASN 3 HN ASN 3 -18.602 3.700 5.279 12 HA ASN 3 HA ASN 3 -17.977 5.202 2.771 13 1HB ASN 3 HB2 ASN 3 -16.609 5.686 5.034 14 2HB ASN 3 HB1 ASN 3 -15.726 4.258 4.498 15 1HD2 ASN 3 1HD2 ASN 3 -15.069 7.317 4.490 16 2HD2 ASN 3 2HD2 ASN 3 -14.518 7.589 2.908 17 H TYR 4 HN TYR 4 -16.200 3.877 1.540 18 HA TYR 4 HA TYR 4 -16.283 0.958 2.028 19 1HB TYR 4 HB2 TYR 4 -18.358 1.849 0.705 20 2HB TYR 4 HB1 TYR 4 -17.223 2.030 -0.633 21 HD1 TYR 4 HD1 TYR 4 -18.663 -0.412 1.777 22 HD2 TYR 4 HD2 TYR 4 -16.431 0.136 -1.852 23 HE1 TYR 4 HE1 TYR 4 -18.839 -2.840 1.301 24 HE2 TYR 4 HE2 TYR 4 -16.606 -2.291 -2.327 25 HH TYR 4 HH TYR 4 -18.632 -4.218 -1.318 26 H VAL 5 HN VAL 5 -15.466 3.427 -0.457 27 HA VAL 5 HA VAL 5 -13.252 1.981 -1.580 28 HB VAL 5 HB VAL 5 -12.705 4.177 -2.590 29 1HG1 VAL 5 1HG1 VAL 5 -15.711 3.968 -2.496 30 2HG1 VAL 5 2HG1 VAL 5 -14.735 2.728 -3.282 31 3HG1 VAL 5 3HG1 VAL 5 -14.678 4.392 -3.860 32 1HG2 VAL 5 1HG2 VAL 5 -12.999 5.739 -0.828 33 2HG2 VAL 5 2HG2 VAL 5 -14.633 5.174 -0.485 34 3HG2 VAL 5 3HG2 VAL 5 -14.309 6.097 -1.952 35 H LEU 6 HN LEU 6 -13.426 4.387 1.067 36 HA LEU 6 HA LEU 6 -10.622 4.743 1.488 37 1HB LEU 6 HB2 LEU 6 -13.174 5.107 2.950 38 2HB LEU 6 HB1 LEU 6 -11.762 4.919 3.987 39 HG LEU 6 HG LEU 6 -12.170 7.297 3.449 40 1HD1 LEU 6 1HD1 LEU 6 -9.809 6.180 3.626 41 2HD1 LEU 6 2HD1 LEU 6 -9.932 7.835 3.030 42 3HD1 LEU 6 3HD1 LEU 6 -9.721 6.503 1.894 43 1HD2 LEU 6 1HD2 LEU 6 -11.936 8.102 1.152 44 2HD2 LEU 6 2HD2 LEU 6 -13.219 6.894 1.221 45 3HD2 LEU 6 3HD2 LEU 6 -11.634 6.461 0.581 46 H ASP 7 HN ASP 7 -12.914 2.370 2.850 47 HA ASP 7 HA ASP 7 -11.002 0.958 4.483 48 1HB ASP 7 HB2 ASP 7 -13.787 0.828 3.669 49 2HB ASP 7 HB1 ASP 7 -13.073 -0.784 3.647 50 H LEU 8 HN LEU 8 -11.990 0.706 1.089 51 HA LEU 8 HA LEU 8 -10.595 -1.814 0.583 52 1HB LEU 8 HB2 LEU 8 -12.430 -0.024 -0.703 53 2HB LEU 8 HB1 LEU 8 -11.070 -0.296 -1.792 54 HG LEU 8 HG LEU 8 -11.555 -2.822 -0.760 55 1HD1 LEU 8 1HD1 LEU 8 -13.978 -3.176 -1.036 56 2HD1 LEU 8 2HD1 LEU 8 -14.202 -1.453 -1.340 57 3HD1 LEU 8 3HD1 LEU 8 -13.664 -2.007 0.246 58 1HD2 LEU 8 1HD2 LEU 8 -12.244 -3.355 -2.998 59 2HD2 LEU 8 2HD2 LEU 8 -11.086 -2.032 -3.141 60 3HD2 LEU 8 3HD2 LEU 8 -12.815 -1.710 -3.283 61 H ILE 9 HN ILE 9 -9.809 1.638 0.300 62 HA ILE 9 HA ILE 9 -7.548 1.591 -1.375 63 HB ILE 9 HB ILE 9 -8.358 3.155 1.074 64 1HG1 ILE 9 2HG1 ILE 9 -9.454 3.440 -1.197 65 2HG1 ILE 9 1HG1 ILE 9 -8.763 4.910 -0.518 66 1HG2 ILE 9 1HG2 ILE 9 -5.768 3.396 -0.470 67 2HG2 ILE 9 2HG2 ILE 9 -5.986 3.267 1.275 68 3HG2 ILE 9 3HG2 ILE 9 -6.451 4.746 0.436 69 1HD1 ILE 9 1HD1 ILE 9 -7.239 5.092 -2.186 70 2HD1 ILE 9 2HD1 ILE 9 -8.248 3.934 -3.052 71 3HD1 ILE 9 3HD1 ILE 9 -6.851 3.373 -2.135 72 H TYR 10 HN TYR 10 -7.897 0.405 1.911 73 HA TYR 10 HA TYR 10 -5.211 0.177 2.762 74 1HB TYR 10 HB2 TYR 10 -6.261 -0.926 4.460 75 2HB TYR 10 HB1 TYR 10 -7.755 -0.621 3.589 76 HD1 TYR 10 HD1 TYR 10 -5.188 -3.117 4.419 77 HD2 TYR 10 HD2 TYR 10 -8.813 -2.393 2.230 78 HE1 TYR 10 HE1 TYR 10 -5.499 -5.559 4.121 79 HE2 TYR 10 HE2 TYR 10 -9.122 -4.832 1.933 80 HH TYR 10 HH TYR 10 -8.052 -7.034 3.561 81 H SER 11 HN SER 11 -7.102 -1.935 0.606 82 HA SER 11 HA SER 11 -4.995 -3.906 0.211 83 1HB SER 11 HB2 SER 11 -7.507 -4.196 -0.062 84 2HB SER 11 HB1 SER 11 -7.395 -3.224 -1.526 85 HG SER 11 HG SER 11 -7.256 -5.559 -1.823 86 H LEU 12 HN LEU 12 -6.135 -1.000 -1.494 87 HA LEU 12 HA LEU 12 -4.423 -1.229 -3.802 88 1HB LEU 12 HB2 LEU 12 -6.307 0.630 -2.577 89 2HB LEU 12 HB1 LEU 12 -4.944 1.486 -3.291 90 HG LEU 12 HG LEU 12 -6.671 -0.566 -4.704 91 1HD1 LEU 12 1HD1 LEU 12 -6.447 2.420 -5.169 92 2HD1 LEU 12 2HD1 LEU 12 -7.738 1.668 -4.232 93 3HD1 LEU 12 3HD1 LEU 12 -7.567 1.303 -5.948 94 1HD2 LEU 12 1HD2 LEU 12 -4.505 -0.690 -5.681 95 2HD2 LEU 12 2HD2 LEU 12 -4.250 1.049 -5.529 96 3HD2 LEU 12 3HD2 LEU 12 -5.390 0.426 -6.721 97 H HIS 13 HN HIS 13 -3.921 -0.095 -0.535 98 HA HIS 13 HA HIS 13 -1.419 1.327 -1.159 99 1HB HIS 13 HB2 HIS 13 -3.309 1.713 0.677 100 2HB HIS 13 HB1 HIS 13 -2.320 0.584 1.602 101 HD1 HIS 13 HD1 HIS 13 -2.393 4.070 0.318 102 HD2 HIS 13 HD2 HIS 13 0.368 1.525 2.127 103 HE1 HIS 13 HE1 HIS 13 -0.458 5.526 1.064 104 H LYS 14 HN LYS 14 -2.414 -1.802 0.220 105 HA LYS 14 HA LYS 14 0.148 -2.585 1.234 106 1HB LYS 14 HB2 LYS 14 -0.897 -4.667 1.569 107 2HB LYS 14 HB1 LYS 14 -2.258 -3.552 1.559 108 1HG LYS 14 HG2 LYS 14 -3.112 -5.004 0.025 109 2HG LYS 14 HG1 LYS 14 -2.072 -4.132 -1.098 110 1HD LYS 14 HD2 LYS 14 -1.241 -6.212 -1.536 111 2HD LYS 14 HD1 LYS 14 -0.289 -5.913 -0.082 112 1HE LYS 14 HE2 LYS 14 -2.024 -7.041 1.289 113 2HE LYS 14 HE1 LYS 14 -2.960 -7.366 -0.183 114 1HZ LYS 14 HZ1 LYS 14 -1.609 -9.265 0.196 115 2HZ LYS 14 HZ2 LYS 14 -0.221 -8.322 0.465 116 3HZ LYS 14 HZ3 LYS 14 -0.896 -8.423 -1.093 117 H GLN 15 HN GLN 15 -1.159 -2.576 -2.028 118 HA GLN 15 HA GLN 15 0.932 -4.344 -3.094 119 1HB GLN 15 HB2 GLN 15 -0.129 -3.853 -5.234 120 2HB GLN 15 HB1 GLN 15 -1.392 -4.121 -4.038 121 1HG GLN 15 HG2 GLN 15 -2.247 -2.144 -4.726 122 2HG GLN 15 HG1 GLN 15 -0.927 -1.398 -3.832 123 1HE2 GLN 15 1HE2 GLN 15 -1.719 0.116 -5.926 124 2HE2 GLN 15 2HE2 GLN 15 -0.665 -0.023 -7.250 125 H ILE 16 HN ILE 16 0.415 -0.911 -2.619 126 HA ILE 16 HA ILE 16 2.695 -0.052 -4.249 127 HB ILE 16 HB ILE 16 0.955 1.294 -2.147 128 1HG1 ILE 16 2HG1 ILE 16 0.955 1.743 -5.138 129 2HG1 ILE 16 1HG1 ILE 16 -0.052 0.506 -4.386 130 1HG2 ILE 16 1HG2 ILE 16 3.005 2.472 -4.050 131 2HG2 ILE 16 2HG2 ILE 16 3.101 2.448 -2.288 132 3HG2 ILE 16 3HG2 ILE 16 1.868 3.420 -3.091 133 1HD1 ILE 16 1HD1 ILE 16 -1.516 2.308 -4.370 134 2HD1 ILE 16 2HD1 ILE 16 -0.225 3.488 -4.148 135 3HD1 ILE 16 3HD1 ILE 16 -0.755 2.494 -2.790 136 H ASN 17 HN ASN 17 1.964 -0.716 -0.864 137 HA ASN 17 HA ASN 17 4.498 0.172 0.230 138 1HB ASN 17 HB2 ASN 17 1.977 -0.951 1.080 139 2HB ASN 17 HB1 ASN 17 3.294 -1.822 1.861 140 1HD2 ASN 17 1HD2 ASN 17 4.539 -0.695 3.457 141 2HD2 ASN 17 2HD2 ASN 17 4.202 0.899 3.934 142 H ARG 18 HN ARG 18 3.279 -2.900 -1.068 143 HA ARG 18 HA ARG 18 5.293 -4.680 -0.153 144 1HB ARG 18 HB2 ARG 18 3.202 -5.299 -1.335 145 2HB ARG 18 HB1 ARG 18 3.817 -4.555 -2.811 146 1HG ARG 18 HG2 ARG 18 4.166 -6.973 -2.904 147 2HG ARG 18 HG1 ARG 18 5.723 -6.155 -2.790 148 1HD ARG 18 HD2 ARG 18 6.104 -6.885 -0.616 149 2HD ARG 18 HD1 ARG 18 4.372 -6.995 -0.242 150 HE ARG 18 HE ARG 18 4.471 -8.913 -2.067 151 1HH1 ARG 18 1HH2 ARG 18 7.414 -9.018 -2.231 152 2HH1 ARG 18 2HH2 ARG 18 7.829 -10.201 -1.037 153 1HH2 ARG 18 1HH1 ARG 18 4.749 -10.034 0.572 154 2HH2 ARG 18 2HH1 ARG 18 6.314 -10.774 0.563 155 H GLY 19 HN GLY 19 5.205 -2.688 -3.131 156 1HA GLY 19 HA2 GLY 19 7.940 -3.394 -3.875 157 2HA GLY 19 HA1 GLY 19 6.937 -2.166 -4.653 158 H LEU 20 HN LEU 20 6.317 -0.675 -2.263 159 HA LEU 20 HA LEU 20 8.477 1.169 -2.136 160 1HB LEU 20 HB2 LEU 20 6.120 1.635 -1.563 161 2HB LEU 20 HB1 LEU 20 6.244 0.562 -0.171 162 HG LEU 20 HG LEU 20 8.033 2.027 0.758 163 1HD1 LEU 20 1HD1 LEU 20 8.226 4.324 -0.285 164 2HD1 LEU 20 2HD1 LEU 20 7.334 3.699 -1.673 165 3HD1 LEU 20 3HD1 LEU 20 8.910 3.024 -1.260 166 1HD2 LEU 20 1HD2 LEU 20 5.607 2.319 1.340 167 2HD2 LEU 20 2HD2 LEU 20 5.494 3.541 0.072 168 3HD2 LEU 20 3HD2 LEU 20 6.539 3.811 1.468 169 H LYS 21 HN LYS 21 7.596 -1.500 0.041 170 HA LYS 21 HA LYS 21 9.680 -1.052 1.982 171 1HB LYS 21 HB2 LYS 21 7.523 -2.373 2.211 172 2HB LYS 21 HB1 LYS 21 8.284 -3.640 1.248 173 1HG LYS 21 HG2 LYS 21 10.228 -3.239 3.094 174 2HG LYS 21 HG1 LYS 21 8.808 -2.824 4.055 175 1HD LYS 21 HD2 LYS 21 8.092 -5.144 2.625 176 2HD LYS 21 HD1 LYS 21 9.732 -5.436 3.210 177 1HE LYS 21 HE2 LYS 21 9.082 -5.007 5.495 178 2HE LYS 21 HE1 LYS 21 7.485 -4.421 4.986 179 1HZ LYS 21 HZ1 LYS 21 7.105 -6.619 3.953 180 2HZ LYS 21 HZ2 LYS 21 7.292 -6.713 5.639 181 3HZ LYS 21 HZ3 LYS 21 8.570 -7.166 4.615 182 H LYS 22 HN LYS 22 9.471 -3.043 -0.946 183 HA LYS 22 HA LYS 22 11.925 -4.484 -0.661 184 1HB LYS 22 HB2 LYS 22 10.060 -4.981 -2.239 185 2HB LYS 22 HB1 LYS 22 10.477 -3.532 -3.154 186 1HG LYS 22 HG2 LYS 22 12.811 -5.220 -2.709 187 2HG LYS 22 HG1 LYS 22 11.528 -6.095 -3.546 188 1HD LYS 22 HD2 LYS 22 12.192 -3.312 -4.445 189 2HD LYS 22 HD1 LYS 22 13.263 -4.634 -4.914 190 1HE LYS 22 HE2 LYS 22 11.577 -5.733 -6.147 191 2HE LYS 22 HE1 LYS 22 10.274 -4.867 -5.310 192 1HZ LYS 22 HZ1 LYS 22 11.029 -2.805 -6.292 193 2HZ LYS 22 HZ2 LYS 22 10.714 -3.934 -7.523 194 3HZ LYS 22 HZ3 LYS 22 12.317 -3.598 -7.065 195 H ILE 23 HN ILE 23 11.215 -1.302 -2.068 196 HA ILE 23 HA ILE 23 13.816 -0.807 -3.194 197 HB ILE 23 HB ILE 23 11.588 0.992 -2.187 198 1HG1 ILE 23 2HG1 ILE 23 12.328 0.529 -5.064 199 2HG1 ILE 23 1HG1 ILE 23 11.386 -0.695 -4.214 200 1HG2 ILE 23 1HG2 ILE 23 14.205 1.611 -3.531 201 2HG2 ILE 23 2HG2 ILE 23 13.383 2.485 -2.238 202 3HG2 ILE 23 3HG2 ILE 23 12.790 2.600 -3.896 203 1HD1 ILE 23 1HD1 ILE 23 10.661 2.226 -4.564 204 2HD1 ILE 23 2HD1 ILE 23 9.763 1.097 -3.549 205 3HD1 ILE 23 3HD1 ILE 23 9.846 0.840 -5.292 206 H VAL 24 HN VAL 24 12.367 0.138 -0.076 207 HA VAL 24 HA VAL 24 14.764 1.389 0.966 208 HB VAL 24 HB VAL 24 12.215 0.306 2.208 209 1HG1 VAL 24 1HG1 VAL 24 13.057 2.060 4.044 210 2HG1 VAL 24 2HG1 VAL 24 14.634 1.561 3.434 211 3HG1 VAL 24 3HG1 VAL 24 13.528 0.362 4.106 212 1HG2 VAL 24 1HG2 VAL 24 13.183 3.071 1.421 213 2HG2 VAL 24 2HG2 VAL 24 11.749 2.790 2.410 214 3HG2 VAL 24 3HG2 VAL 24 11.809 2.190 0.754 215 H LEU 25 HN LEU 25 13.389 -1.855 1.107 216 HA LEU 25 HA LEU 25 15.093 -2.993 3.108 217 1HB LEU 25 HB2 LEU 25 13.090 -4.113 2.412 218 2HB LEU 25 HB1 LEU 25 13.563 -4.055 0.716 219 HG LEU 25 HG LEU 25 15.390 -5.626 1.137 220 1HD1 LEU 25 1HD1 LEU 25 15.185 -6.742 3.549 221 2HD1 LEU 25 2HD1 LEU 25 14.574 -5.144 3.977 222 3HD1 LEU 25 3HD1 LEU 25 16.189 -5.316 3.290 223 1HD2 LEU 25 1HD2 LEU 25 13.090 -6.488 0.663 224 2HD2 LEU 25 2HD2 LEU 25 12.814 -6.614 2.400 225 3HD2 LEU 25 3HD2 LEU 25 14.052 -7.605 1.629 226 H GLY 26 HN GLY 26 15.452 -2.634 -0.424 227 1HA GLY 26 HA2 GLY 26 17.963 -4.094 -0.547 228 2HA GLY 26 HA1 GLY 26 17.289 -3.089 -1.830 229 H TRP 27 HN TRP 27 17.239 -0.603 -1.037 230 HA TRP 27 HA TRP 27 19.525 0.192 0.619 231 1HB TRP 27 HB2 TRP 27 20.617 -0.555 -1.458 232 2HB TRP 27 HB1 TRP 27 19.572 0.506 -2.403 233 HD1 TRP 27 HD1 TRP 27 20.618 2.737 -2.979 234 HE1 TRP 27 HE1 TRP 27 22.432 4.256 -1.953 235 HE3 TRP 27 HE3 TRP 27 21.774 0.037 1.198 236 HZ2 TRP 27 HZ2 TRP 27 24.146 4.318 0.336 237 HZ3 TRP 27 HZ3 TRP 27 23.498 0.848 2.783 238 HH2 TRP 27 HH2 TRP 27 24.684 2.983 2.358 239 H ALA 28 HN ALA 28 18.976 2.135 1.501 240 HA ALA 28 HA ALA 28 17.996 4.247 1.810 241 1HB ALA 28 HB1 ALA 28 19.155 4.422 -0.506 242 2HB ALA 28 HB2 ALA 28 17.927 5.627 -0.113 243 3HB ALA 28 HB3 ALA 28 17.529 4.278 -1.175 Start of MODEL 15 1 1H SER 1 HT1 SER 1 -25.921 6.320 2.836 2 2H SER 1 HT2 SER 1 -24.593 7.379 2.901 3 3H SER 1 HT3 SER 1 -25.477 7.032 4.310 4 HA SER 1 HA SER 1 -24.714 4.760 4.317 5 1HB SER 1 HB2 SER 1 -23.486 5.643 1.685 6 2HB SER 1 HB1 SER 1 -23.166 4.090 2.453 7 HG SER 1 HG SER 1 -24.838 3.770 1.045 8 H GLY 2 HN GLY 2 -22.385 4.117 4.849 9 1HA GLY 2 HA2 GLY 2 -20.979 6.461 5.987 10 2HA GLY 2 HA1 GLY 2 -20.653 4.771 6.375 11 H ASN 3 HN ASN 3 -18.544 4.432 5.796 12 HA ASN 3 HA ASN 3 -17.666 5.387 3.087 13 1HB ASN 3 HB2 ASN 3 -16.134 4.842 5.653 14 2HB ASN 3 HB1 ASN 3 -15.386 5.323 4.130 15 1HD2 ASN 3 1HD2 ASN 3 -17.012 7.354 3.186 16 2HD2 ASN 3 2HD2 ASN 3 -17.100 8.622 4.310 17 H TYR 4 HN TYR 4 -16.349 3.908 1.848 18 HA TYR 4 HA TYR 4 -16.161 1.094 2.806 19 1HB TYR 4 HB2 TYR 4 -18.348 1.826 1.458 20 2HB TYR 4 HB1 TYR 4 -17.279 1.605 0.073 21 HD1 TYR 4 HD1 TYR 4 -16.190 -0.605 -0.331 22 HD2 TYR 4 HD2 TYR 4 -19.128 -0.042 2.753 23 HE1 TYR 4 HE1 TYR 4 -16.490 -3.061 -0.168 24 HE2 TYR 4 HE2 TYR 4 -19.428 -2.498 2.914 25 HH TYR 4 HH TYR 4 -18.817 -4.563 0.841 26 H VAL 5 HN VAL 5 -15.633 3.211 -0.053 27 HA VAL 5 HA VAL 5 -13.488 1.689 -1.184 28 HB VAL 5 HB VAL 5 -13.062 3.759 -2.463 29 1HG1 VAL 5 1HG1 VAL 5 -15.037 3.661 -3.629 30 2HG1 VAL 5 2HG1 VAL 5 -16.028 3.811 -2.178 31 3HG1 VAL 5 3HG1 VAL 5 -15.290 2.262 -2.586 32 1HG2 VAL 5 1HG2 VAL 5 -14.470 5.787 -1.902 33 2HG2 VAL 5 2HG2 VAL 5 -13.197 5.438 -0.735 34 3HG2 VAL 5 3HG2 VAL 5 -14.868 5.009 -0.371 35 H LEU 6 HN LEU 6 -13.484 4.294 1.262 36 HA LEU 6 HA LEU 6 -10.680 4.779 1.394 37 1HB LEU 6 HB2 LEU 6 -12.962 5.655 2.658 38 2HB LEU 6 HB1 LEU 6 -12.180 4.738 3.946 39 HG LEU 6 HG LEU 6 -10.511 6.624 2.323 40 1HD1 LEU 6 1HD1 LEU 6 -12.678 7.788 3.057 41 2HD1 LEU 6 2HD1 LEU 6 -11.169 8.527 3.593 42 3HD1 LEU 6 3HD1 LEU 6 -12.116 7.549 4.712 43 1HD2 LEU 6 1HD2 LEU 6 -9.569 5.085 4.073 44 2HD2 LEU 6 2HD2 LEU 6 -10.550 5.921 5.276 45 3HD2 LEU 6 3HD2 LEU 6 -9.279 6.791 4.416 46 H ASP 7 HN ASP 7 -12.694 2.307 2.980 47 HA ASP 7 HA ASP 7 -10.576 1.123 4.548 48 1HB ASP 7 HB2 ASP 7 -13.344 0.870 4.203 49 2HB ASP 7 HB1 ASP 7 -12.706 -0.675 3.643 50 H LEU 8 HN LEU 8 -11.940 0.481 1.323 51 HA LEU 8 HA LEU 8 -10.364 -1.836 0.687 52 1HB LEU 8 HB2 LEU 8 -12.306 -0.087 -0.499 53 2HB LEU 8 HB1 LEU 8 -10.992 -0.329 -1.649 54 HG LEU 8 HG LEU 8 -11.347 -2.867 -0.633 55 1HD1 LEU 8 1HD1 LEU 8 -13.769 -3.298 -0.700 56 2HD1 LEU 8 2HD1 LEU 8 -14.078 -1.584 -0.974 57 3HD1 LEU 8 3HD1 LEU 8 -13.390 -2.120 0.558 58 1HD2 LEU 8 1HD2 LEU 8 -12.571 -1.526 -3.064 59 2HD2 LEU 8 2HD2 LEU 8 -12.554 -3.272 -2.819 60 3HD2 LEU 8 3HD2 LEU 8 -11.036 -2.390 -2.982 61 H ILE 9 HN ILE 9 -9.689 1.641 0.443 62 HA ILE 9 HA ILE 9 -7.508 1.677 -1.341 63 HB ILE 9 HB ILE 9 -8.129 3.191 1.208 64 1HG1 ILE 9 2HG1 ILE 9 -8.158 4.101 -1.682 65 2HG1 ILE 9 1HG1 ILE 9 -9.569 3.419 -0.879 66 1HG2 ILE 9 1HG2 ILE 9 -6.428 4.874 0.297 67 2HG2 ILE 9 2HG2 ILE 9 -5.839 3.571 -0.733 68 3HG2 ILE 9 3HG2 ILE 9 -5.758 3.413 1.022 69 1HD1 ILE 9 1HD1 ILE 9 -8.272 6.062 -0.503 70 2HD1 ILE 9 2HD1 ILE 9 -8.855 5.268 0.961 71 3HD1 ILE 9 3HD1 ILE 9 -9.972 5.613 -0.361 72 H TYR 10 HN TYR 10 -7.685 0.444 1.939 73 HA TYR 10 HA TYR 10 -4.935 0.281 2.631 74 1HB TYR 10 HB2 TYR 10 -5.845 -0.792 4.429 75 2HB TYR 10 HB1 TYR 10 -7.398 -0.464 3.679 76 HD1 TYR 10 HD1 TYR 10 -4.895 -3.015 4.459 77 HD2 TYR 10 HD2 TYR 10 -8.545 -2.238 2.332 78 HE1 TYR 10 HE1 TYR 10 -5.294 -5.452 4.246 79 HE2 TYR 10 HE2 TYR 10 -8.943 -4.672 2.121 80 HH TYR 10 HH TYR 10 -7.994 -6.837 3.731 81 H SER 11 HN SER 11 -6.939 -1.871 0.627 82 HA SER 11 HA SER 11 -4.861 -3.876 0.214 83 1HB SER 11 HB2 SER 11 -7.441 -4.050 0.040 84 2HB SER 11 HB1 SER 11 -7.263 -3.297 -1.541 85 HG SER 11 HG SER 11 -7.029 -5.824 -0.984 86 H LEU 12 HN LEU 12 -6.100 -1.057 -1.580 87 HA LEU 12 HA LEU 12 -4.496 -1.334 -3.940 88 1HB LEU 12 HB2 LEU 12 -6.489 0.320 -2.992 89 2HB LEU 12 HB1 LEU 12 -5.090 1.390 -2.953 90 HG LEU 12 HG LEU 12 -6.231 1.558 -5.117 91 1HD1 LEU 12 1HD1 LEU 12 -3.681 -0.013 -5.537 92 2HD1 LEU 12 2HD1 LEU 12 -3.680 1.633 -4.902 93 3HD1 LEU 12 3HD1 LEU 12 -4.317 1.310 -6.515 94 1HD2 LEU 12 1HD2 LEU 12 -6.538 -0.320 -6.567 95 2HD2 LEU 12 2HD2 LEU 12 -7.115 -0.839 -4.984 96 3HD2 LEU 12 3HD2 LEU 12 -5.528 -1.354 -5.557 97 H HIS 13 HN HIS 13 -3.990 0.442 -0.901 98 HA HIS 13 HA HIS 13 -1.376 1.482 -1.571 99 1HB HIS 13 HB2 HIS 13 -3.214 2.023 0.310 100 2HB HIS 13 HB1 HIS 13 -2.210 0.920 1.249 101 HD1 HIS 13 HD1 HIS 13 0.132 1.705 1.922 102 HD2 HIS 13 HD2 HIS 13 -1.847 4.430 -0.533 103 HE1 HIS 13 HE1 HIS 13 1.507 3.832 1.959 104 H LYS 14 HN LYS 14 -2.526 -1.444 0.091 105 HA LYS 14 HA LYS 14 -0.079 -2.450 1.101 106 1HB LYS 14 HB2 LYS 14 -2.180 -3.448 1.691 107 2HB LYS 14 HB1 LYS 14 -2.598 -3.725 0.003 108 1HG LYS 14 HG2 LYS 14 -1.905 -5.831 1.028 109 2HG LYS 14 HG1 LYS 14 -0.708 -5.340 -0.170 110 1HD LYS 14 HD2 LYS 14 0.897 -5.327 1.403 111 2HD LYS 14 HD1 LYS 14 -0.017 -4.155 2.352 112 1HE LYS 14 HE2 LYS 14 -0.964 -6.989 2.449 113 2HE LYS 14 HE1 LYS 14 0.537 -6.603 3.315 114 1HZ LYS 14 HZ1 LYS 14 -1.945 -4.984 3.537 115 2HZ LYS 14 HZ2 LYS 14 -0.539 -4.853 4.482 116 3HZ LYS 14 HZ3 LYS 14 -1.540 -6.217 4.627 117 H GLN 15 HN GLN 15 -1.413 -2.515 -2.162 118 HA GLN 15 HA GLN 15 0.462 -4.387 -3.312 119 1HB GLN 15 HB2 GLN 15 -1.108 -2.097 -4.551 120 2HB GLN 15 HB1 GLN 15 -0.411 -3.456 -5.432 121 1HG GLN 15 HG2 GLN 15 -2.038 -4.424 -3.241 122 2HG GLN 15 HG1 GLN 15 -2.974 -3.326 -4.253 123 1HE2 GLN 15 1HE2 GLN 15 -4.220 -4.837 -5.456 124 2HE2 GLN 15 2HE2 GLN 15 -3.535 -6.034 -6.444 125 H ILE 16 HN ILE 16 0.354 -0.849 -3.105 126 HA ILE 16 HA ILE 16 2.866 -0.388 -4.478 127 HB ILE 16 HB ILE 16 1.104 1.254 -2.632 128 1HG1 ILE 16 2HG1 ILE 16 1.396 2.011 -5.458 129 2HG1 ILE 16 1HG1 ILE 16 0.697 0.408 -5.235 130 1HG2 ILE 16 1HG2 ILE 16 2.454 3.143 -3.947 131 2HG2 ILE 16 2HG2 ILE 16 3.697 1.893 -3.973 132 3HG2 ILE 16 3HG2 ILE 16 3.057 2.468 -2.434 133 1HD1 ILE 16 1HD1 ILE 16 -0.353 3.070 -4.341 134 2HD1 ILE 16 2HD1 ILE 16 -0.773 1.629 -3.417 135 3HD1 ILE 16 3HD1 ILE 16 -1.208 1.740 -5.122 136 H ASN 17 HN ASN 17 1.900 -0.856 -1.119 137 HA ASN 17 HA ASN 17 4.327 -0.019 0.161 138 1HB ASN 17 HB2 ASN 17 1.800 -1.154 0.816 139 2HB ASN 17 HB1 ASN 17 3.028 -2.189 1.540 140 1HD2 ASN 17 1HD2 ASN 17 1.143 -0.083 2.774 141 2HD2 ASN 17 2HD2 ASN 17 2.181 0.924 3.662 142 H ARG 18 HN ARG 18 3.286 -3.187 -1.129 143 HA ARG 18 HA ARG 18 5.425 -4.794 -0.172 144 1HB ARG 18 HB2 ARG 18 3.745 -4.834 -2.697 145 2HB ARG 18 HB1 ARG 18 4.847 -6.144 -2.268 146 1HG ARG 18 HG2 ARG 18 3.163 -5.378 -0.014 147 2HG ARG 18 HG1 ARG 18 2.200 -5.866 -1.409 148 1HD ARG 18 HD2 ARG 18 4.429 -7.684 -1.115 149 2HD ARG 18 HD1 ARG 18 3.534 -7.577 0.414 150 HE ARG 18 HE ARG 18 1.481 -8.160 -0.818 151 1HH1 ARG 18 1HH1 ARG 18 2.477 -7.252 -3.541 152 2HH1 ARG 18 2HH1 ARG 18 2.725 -8.769 -4.339 153 1HH2 ARG 18 1HH2 ARG 18 2.655 -10.624 -1.399 154 2HH2 ARG 18 2HH2 ARG 18 2.824 -10.685 -3.123 155 H GLY 19 HN GLY 19 5.214 -2.745 -3.087 156 1HA GLY 19 HA2 GLY 19 7.934 -3.433 -3.944 157 2HA GLY 19 HA1 GLY 19 6.888 -2.218 -4.684 158 H LEU 20 HN LEU 20 6.286 -0.725 -2.338 159 HA LEU 20 HA LEU 20 8.437 1.130 -2.209 160 1HB LEU 20 HB2 LEU 20 6.173 1.745 -1.662 161 2HB LEU 20 HB1 LEU 20 6.073 0.499 -0.422 162 HG LEU 20 HG LEU 20 7.799 1.682 0.901 163 1HD1 LEU 20 1HD1 LEU 20 8.195 4.131 0.101 164 2HD1 LEU 20 2HD1 LEU 20 7.719 3.522 -1.484 165 3HD1 LEU 20 3HD1 LEU 20 9.122 2.838 -0.662 166 1HD2 LEU 20 1HD2 LEU 20 5.501 3.475 0.050 167 2HD2 LEU 20 2HD2 LEU 20 6.396 3.586 1.567 168 3HD2 LEU 20 3HD2 LEU 20 5.386 2.178 1.239 169 H LYS 21 HN LYS 21 7.472 -1.380 0.151 170 HA LYS 21 HA LYS 21 9.630 -0.891 1.986 171 1HB LYS 21 HB2 LYS 21 8.891 -2.975 2.994 172 2HB LYS 21 HB1 LYS 21 7.468 -2.103 2.430 173 1HG LYS 21 HG2 LYS 21 6.977 -4.157 1.524 174 2HG LYS 21 HG1 LYS 21 7.971 -3.529 0.212 175 1HD LYS 21 HD2 LYS 21 9.571 -5.079 0.566 176 2HD LYS 21 HD1 LYS 21 9.609 -4.735 2.295 177 1HE LYS 21 HE2 LYS 21 7.260 -6.059 2.196 178 2HE LYS 21 HE1 LYS 21 8.074 -6.824 0.816 179 1HZ LYS 21 HZ1 LYS 21 8.623 -7.928 2.922 180 2HZ LYS 21 HZ2 LYS 21 9.262 -6.473 3.523 181 3HZ LYS 21 HZ3 LYS 21 9.996 -7.247 2.198 182 H LYS 22 HN LYS 22 9.433 -2.752 -0.981 183 HA LYS 22 HA LYS 22 11.781 -4.388 -0.583 184 1HB LYS 22 HB2 LYS 22 9.837 -4.578 -2.282 185 2HB LYS 22 HB1 LYS 22 10.708 -3.365 -3.220 186 1HG LYS 22 HG2 LYS 22 12.204 -5.775 -2.243 187 2HG LYS 22 HG1 LYS 22 11.139 -5.945 -3.638 188 1HD LYS 22 HD2 LYS 22 12.661 -3.544 -3.976 189 2HD LYS 22 HD1 LYS 22 13.776 -4.845 -3.564 190 1HE LYS 22 HE2 LYS 22 13.619 -5.600 -5.694 191 2HE LYS 22 HE1 LYS 22 11.895 -5.921 -5.425 192 1HZ LYS 22 HZ1 LYS 22 12.006 -4.343 -7.165 193 2HZ LYS 22 HZ2 LYS 22 13.152 -3.393 -6.345 194 3HZ LYS 22 HZ3 LYS 22 11.546 -3.469 -5.785 195 H ILE 23 HN ILE 23 11.221 -1.180 -1.972 196 HA ILE 23 HA ILE 23 13.922 -0.759 -2.918 197 HB ILE 23 HB ILE 23 11.730 1.207 -2.154 198 1HG1 ILE 23 2HG1 ILE 23 10.876 -0.345 -3.810 199 2HG1 ILE 23 1HG1 ILE 23 11.257 1.165 -4.634 200 1HG2 ILE 23 1HG2 ILE 23 14.196 1.468 -3.903 201 2HG2 ILE 23 2HG2 ILE 23 13.866 2.335 -2.402 202 3HG2 ILE 23 3HG2 ILE 23 12.899 2.662 -3.841 203 1HD1 ILE 23 1HD1 ILE 23 12.137 -0.598 -6.001 204 2HD1 ILE 23 2HD1 ILE 23 12.883 -1.389 -4.612 205 3HD1 ILE 23 3HD1 ILE 23 13.520 0.148 -5.200 206 H VAL 24 HN VAL 24 12.226 -0.089 0.110 207 HA VAL 24 HA VAL 24 14.438 1.401 1.304 208 HB VAL 24 HB VAL 24 11.954 0.069 2.445 209 1HG1 VAL 24 1HG1 VAL 24 13.515 0.387 4.249 210 2HG1 VAL 24 2HG1 VAL 24 12.350 1.706 4.344 211 3HG1 VAL 24 3HG1 VAL 24 13.952 1.993 3.666 212 1HG2 VAL 24 1HG2 VAL 24 12.533 2.964 1.726 213 2HG2 VAL 24 2HG2 VAL 24 11.032 2.357 2.426 214 3HG2 VAL 24 3HG2 VAL 24 11.505 1.870 0.799 215 H LEU 25 HN LEU 25 13.407 -1.939 1.120 216 HA LEU 25 HA LEU 25 15.027 -3.003 3.265 217 1HB LEU 25 HB2 LEU 25 12.981 -3.940 1.921 218 2HB LEU 25 HB1 LEU 25 14.194 -4.483 0.767 219 HG LEU 25 HG LEU 25 13.709 -6.275 2.330 220 1HD1 LEU 25 1HD1 LEU 25 15.918 -6.833 2.965 221 2HD1 LEU 25 2HD1 LEU 25 16.362 -5.144 3.209 222 3HD1 LEU 25 3HD1 LEU 25 16.117 -5.764 1.576 223 1HD2 LEU 25 1HD2 LEU 25 14.673 -4.478 4.564 224 2HD2 LEU 25 2HD2 LEU 25 13.893 -6.054 4.701 225 3HD2 LEU 25 3HD2 LEU 25 12.964 -4.655 4.164 226 H GLY 26 HN GLY 26 15.456 -3.373 -0.287 227 1HA GLY 26 HA2 GLY 26 18.393 -3.035 0.095 228 2HA GLY 26 HA1 GLY 26 17.805 -4.488 -0.710 229 H TRP 27 HN TRP 27 16.794 -1.063 -0.975 230 HA TRP 27 HA TRP 27 16.574 0.331 -2.859 231 1HB TRP 27 HB2 TRP 27 18.986 -1.391 -3.405 232 2HB TRP 27 HB1 TRP 27 18.461 -0.207 -4.599 233 HD1 TRP 27 HD1 TRP 27 20.181 -0.530 -1.276 234 HE1 TRP 27 HE1 TRP 27 20.917 1.798 -0.454 235 HE3 TRP 27 HE3 TRP 27 17.740 2.414 -4.659 236 HZ2 TRP 27 HZ2 TRP 27 20.524 4.549 -1.140 237 HZ3 TRP 27 HZ3 TRP 27 17.937 4.881 -4.552 238 HH2 TRP 27 HH2 TRP 27 19.325 5.951 -2.799 239 H ALA 28 HN ALA 28 16.808 -0.125 -5.584 240 HA ALA 28 HA ALA 28 14.386 -1.577 -6.196 241 1HB ALA 28 HB1 ALA 28 15.043 -1.000 -8.523 242 2HB ALA 28 HB2 ALA 28 16.639 -0.526 -7.940 243 3HB ALA 28 HB3 ALA 28 15.212 0.382 -7.441 Start of MODEL 16 1 1H SER 1 HT1 SER 1 -16.960 9.652 5.635 2 2H SER 1 HT2 SER 1 -16.103 9.887 4.188 3 3H SER 1 HT3 SER 1 -16.331 11.182 5.263 4 HA SER 1 HA SER 1 -14.064 10.327 5.429 5 1HB SER 1 HB2 SER 1 -15.927 9.790 7.768 6 2HB SER 1 HB1 SER 1 -14.187 10.032 7.900 7 HG SER 1 HG SER 1 -15.062 12.013 8.216 8 H GLY 2 HN GLY 2 -16.246 7.915 6.977 9 1HA GLY 2 HA2 GLY 2 -14.295 5.791 6.676 10 2HA GLY 2 HA1 GLY 2 -15.963 5.591 7.218 11 H ASN 3 HN ASN 3 -17.655 5.733 5.454 12 HA ASN 3 HA ASN 3 -18.539 4.889 3.436 13 1HB ASN 3 HB2 ASN 3 -16.842 6.883 2.883 14 2HB ASN 3 HB1 ASN 3 -15.951 5.584 2.093 15 1HD2 ASN 3 1HD2 ASN 3 -16.422 6.248 -0.093 16 2HD2 ASN 3 2HD2 ASN 3 -17.992 6.207 -0.739 17 H TYR 4 HN TYR 4 -17.047 3.673 1.249 18 HA TYR 4 HA TYR 4 -16.089 1.176 2.603 19 1HB TYR 4 HB2 TYR 4 -17.128 -0.034 0.787 20 2HB TYR 4 HB1 TYR 4 -18.304 1.137 1.375 21 HD1 TYR 4 HD1 TYR 4 -18.837 3.163 0.061 22 HD2 TYR 4 HD2 TYR 4 -16.094 0.196 -1.400 23 HE1 TYR 4 HE1 TYR 4 -18.986 4.143 -2.212 24 HE2 TYR 4 HE2 TYR 4 -16.243 1.177 -3.671 25 HH TYR 4 HH TYR 4 -18.327 2.749 -4.862 26 H VAL 5 HN VAL 5 -15.523 3.423 -0.109 27 HA VAL 5 HA VAL 5 -13.346 1.960 -1.303 28 HB VAL 5 HB VAL 5 -14.779 3.808 -2.298 29 1HG1 VAL 5 1HG1 VAL 5 -14.278 6.097 -1.836 30 2HG1 VAL 5 2HG1 VAL 5 -12.852 5.669 -0.892 31 3HG1 VAL 5 3HG1 VAL 5 -14.461 5.323 -0.262 32 1HG2 VAL 5 1HG2 VAL 5 -11.804 3.623 -2.466 33 2HG2 VAL 5 2HG2 VAL 5 -12.579 4.983 -3.277 34 3HG2 VAL 5 3HG2 VAL 5 -13.021 3.331 -3.708 35 H LEU 6 HN LEU 6 -13.443 4.436 1.275 36 HA LEU 6 HA LEU 6 -10.636 4.940 1.480 37 1HB LEU 6 HB2 LEU 6 -12.959 5.769 2.713 38 2HB LEU 6 HB1 LEU 6 -12.210 4.815 3.990 39 HG LEU 6 HG LEU 6 -11.481 7.134 4.181 40 1HD1 LEU 6 1HD1 LEU 6 -9.129 6.777 4.279 41 2HD1 LEU 6 2HD1 LEU 6 -9.178 5.592 2.973 42 3HD1 LEU 6 3HD1 LEU 6 -9.855 5.193 4.552 43 1HD2 LEU 6 1HD2 LEU 6 -10.402 6.816 1.362 44 2HD2 LEU 6 2HD2 LEU 6 -10.275 8.254 2.375 45 3HD2 LEU 6 3HD2 LEU 6 -11.851 7.728 1.784 46 H ASP 7 HN ASP 7 -12.689 2.428 2.953 47 HA ASP 7 HA ASP 7 -10.596 1.197 4.523 48 1HB ASP 7 HB2 ASP 7 -13.369 0.968 4.117 49 2HB ASP 7 HB1 ASP 7 -12.717 -0.580 3.584 50 H LEU 8 HN LEU 8 -11.925 0.637 1.264 51 HA LEU 8 HA LEU 8 -10.385 -1.695 0.612 52 1HB LEU 8 HB2 LEU 8 -12.252 0.122 -0.588 53 2HB LEU 8 HB1 LEU 8 -10.914 -0.126 -1.708 54 HG LEU 8 HG LEU 8 -11.375 -2.673 -0.718 55 1HD1 LEU 8 1HD1 LEU 8 -13.466 -1.876 0.342 56 2HD1 LEU 8 2HD1 LEU 8 -13.804 -3.024 -0.953 57 3HD1 LEU 8 3HD1 LEU 8 -14.035 -1.298 -1.224 58 1HD2 LEU 8 1HD2 LEU 8 -12.645 -1.471 -3.199 59 2HD2 LEU 8 2HD2 LEU 8 -12.166 -3.150 -2.956 60 3HD2 LEU 8 3HD2 LEU 8 -10.936 -1.894 -3.083 61 H ILE 9 HN ILE 9 -9.608 1.762 0.473 62 HA ILE 9 HA ILE 9 -7.381 1.790 -1.255 63 HB ILE 9 HB ILE 9 -8.033 3.239 1.325 64 1HG1 ILE 9 2HG1 ILE 9 -7.932 4.249 -1.530 65 2HG1 ILE 9 1HG1 ILE 9 -9.390 3.577 -0.807 66 1HG2 ILE 9 1HG2 ILE 9 -6.247 4.890 0.552 67 2HG2 ILE 9 2HG2 ILE 9 -5.675 3.626 -0.536 68 3HG2 ILE 9 3HG2 ILE 9 -5.642 3.370 1.209 69 1HD1 ILE 9 1HD1 ILE 9 -8.782 5.317 1.127 70 2HD1 ILE 9 2HD1 ILE 9 -9.715 5.802 -0.289 71 3HD1 ILE 9 3HD1 ILE 9 -7.987 6.145 -0.212 72 H TYR 10 HN TYR 10 -7.674 0.488 1.999 73 HA TYR 10 HA TYR 10 -4.952 0.203 2.740 74 1HB TYR 10 HB2 TYR 10 -5.951 -0.883 4.482 75 2HB TYR 10 HB1 TYR 10 -7.477 -0.551 3.678 76 HD1 TYR 10 HD1 TYR 10 -4.731 -3.060 3.953 77 HD2 TYR 10 HD2 TYR 10 -8.796 -2.329 2.777 78 HE1 TYR 10 HE1 TYR 10 -5.075 -5.492 3.618 79 HE2 TYR 10 HE2 TYR 10 -9.139 -4.757 2.445 80 HH TYR 10 HH TYR 10 -6.999 -6.855 1.939 81 H SER 11 HN SER 11 -7.006 -2.024 0.808 82 HA SER 11 HA SER 11 -4.931 -3.967 0.284 83 1HB SER 11 HB2 SER 11 -7.502 -4.135 0.097 84 2HB SER 11 HB1 SER 11 -7.332 -3.316 -1.452 85 HG SER 11 HG SER 11 -6.020 -5.016 -2.148 86 H LEU 12 HN LEU 12 -6.147 -1.112 -1.453 87 HA LEU 12 HA LEU 12 -4.575 -1.335 -3.826 88 1HB LEU 12 HB2 LEU 12 -6.400 0.177 -3.797 89 2HB LEU 12 HB1 LEU 12 -5.904 0.877 -2.260 90 HG LEU 12 HG LEU 12 -3.911 1.861 -3.383 91 1HD1 LEU 12 1HD1 LEU 12 -3.478 0.478 -5.239 92 2HD1 LEU 12 2HD1 LEU 12 -4.167 1.923 -5.978 93 3HD1 LEU 12 3HD1 LEU 12 -5.164 0.486 -5.755 94 1HD2 LEU 12 1HD2 LEU 12 -6.306 2.926 -3.228 95 2HD2 LEU 12 2HD2 LEU 12 -6.328 2.680 -4.974 96 3HD2 LEU 12 3HD2 LEU 12 -5.085 3.693 -4.243 97 H HIS 13 HN HIS 13 -3.939 0.197 -0.685 98 HA HIS 13 HA HIS 13 -1.351 1.278 -1.401 99 1HB HIS 13 HB2 HIS 13 -3.121 1.698 0.584 100 2HB HIS 13 HB1 HIS 13 -2.029 0.594 1.423 101 HD1 HIS 13 HD1 HIS 13 0.458 1.370 1.729 102 HD2 HIS 13 HD2 HIS 13 -2.010 4.237 -0.023 103 HE1 HIS 13 HE1 HIS 13 1.738 3.553 1.793 104 H LYS 14 HN LYS 14 -2.434 -1.800 0.032 105 HA LYS 14 HA LYS 14 0.102 -2.803 0.883 106 1HB LYS 14 HB2 LYS 14 -2.604 -3.756 0.358 107 2HB LYS 14 HB1 LYS 14 -1.404 -4.963 -0.104 108 1HG LYS 14 HG2 LYS 14 -1.799 -5.422 2.177 109 2HG LYS 14 HG1 LYS 14 -0.318 -4.465 2.197 110 1HD LYS 14 HD2 LYS 14 -1.545 -2.456 2.762 111 2HD LYS 14 HD1 LYS 14 -3.085 -3.287 2.552 112 1HE LYS 14 HE2 LYS 14 -2.714 -3.267 4.917 113 2HE LYS 14 HE1 LYS 14 -2.260 -4.904 4.404 114 1HZ LYS 14 HZ1 LYS 14 -0.237 -2.765 4.325 115 2HZ LYS 14 HZ2 LYS 14 -0.031 -4.439 4.541 116 3HZ LYS 14 HZ3 LYS 14 -0.610 -3.480 5.817 117 H GLN 15 HN GLN 15 -1.430 -2.644 -2.278 118 HA GLN 15 HA GLN 15 0.434 -4.353 -3.692 119 1HB GLN 15 HB2 GLN 15 -1.937 -3.555 -4.327 120 2HB GLN 15 HB1 GLN 15 -1.173 -2.037 -4.803 121 1HG GLN 15 HG2 GLN 15 0.271 -3.235 -6.383 122 2HG GLN 15 HG1 GLN 15 -0.433 -4.773 -5.885 123 1HE2 GLN 15 1HE2 GLN 15 -0.883 -2.003 -7.948 124 2HE2 GLN 15 2HE2 GLN 15 -2.396 -2.456 -8.569 125 H ILE 16 HN ILE 16 0.394 -0.996 -2.725 126 HA ILE 16 HA ILE 16 2.724 -0.256 -4.381 127 HB ILE 16 HB ILE 16 1.040 1.158 -2.282 128 1HG1 ILE 16 2HG1 ILE 16 1.138 1.863 -5.200 129 2HG1 ILE 16 1HG1 ILE 16 0.175 0.477 -4.690 130 1HG2 ILE 16 1HG2 ILE 16 3.108 2.299 -2.218 131 2HG2 ILE 16 2HG2 ILE 16 2.148 3.229 -3.367 132 3HG2 ILE 16 3HG2 ILE 16 3.372 2.100 -3.951 133 1HD1 ILE 16 1HD1 ILE 16 -0.590 2.311 -2.832 134 2HD1 ILE 16 2HD1 ILE 16 -1.442 2.053 -4.355 135 3HD1 ILE 16 3HD1 ILE 16 -0.271 3.365 -4.210 136 H ASN 17 HN ASN 17 1.889 -0.966 -1.028 137 HA ASN 17 HA ASN 17 4.380 -0.243 0.206 138 1HB ASN 17 HB2 ASN 17 1.846 -1.484 0.854 139 2HB ASN 17 HB1 ASN 17 3.161 -2.362 1.632 140 1HD2 ASN 17 1HD2 ASN 17 4.597 -1.104 3.104 141 2HD2 ASN 17 2HD2 ASN 17 4.047 0.351 3.784 142 H ARG 18 HN ARG 18 3.218 -3.329 -1.209 143 HA ARG 18 HA ARG 18 5.328 -5.020 -0.346 144 1HB ARG 18 HB2 ARG 18 4.532 -6.483 -2.060 145 2HB ARG 18 HB1 ARG 18 3.126 -5.532 -1.582 146 1HG ARG 18 HG2 ARG 18 3.609 -3.971 -3.482 147 2HG ARG 18 HG1 ARG 18 4.893 -5.064 -3.997 148 1HD ARG 18 HD2 ARG 18 2.907 -6.864 -3.825 149 2HD ARG 18 HD1 ARG 18 1.936 -5.417 -4.167 150 HE ARG 18 HE ARG 18 3.752 -6.695 -6.032 151 1HH1 ARG 18 1HH2 ARG 18 5.048 -4.047 -5.757 152 2HH1 ARG 18 2HH2 ARG 18 4.181 -3.070 -6.892 153 1HH2 ARG 18 1HH1 ARG 18 1.522 -5.293 -7.173 154 2HH2 ARG 18 2HH1 ARG 18 2.179 -3.780 -7.701 155 H GLY 19 HN GLY 19 5.202 -2.743 -3.083 156 1HA GLY 19 HA2 GLY 19 7.896 -3.515 -3.997 157 2HA GLY 19 HA1 GLY 19 6.882 -2.254 -4.704 158 H LEU 20 HN LEU 20 6.291 -0.806 -2.339 159 HA LEU 20 HA LEU 20 8.486 0.983 -2.121 160 1HB LEU 20 HB2 LEU 20 6.200 1.597 -1.584 161 2HB LEU 20 HB1 LEU 20 6.122 0.366 -0.326 162 HG LEU 20 HG LEU 20 7.857 1.551 0.959 163 1HD1 LEU 20 1HD1 LEU 20 9.247 2.731 -0.450 164 2HD1 LEU 20 2HD1 LEU 20 8.154 4.041 -0.008 165 3HD1 LEU 20 3HD1 LEU 20 7.933 3.188 -1.535 166 1HD2 LEU 20 1HD2 LEU 20 5.616 3.402 0.084 167 2HD2 LEU 20 2HD2 LEU 20 6.504 3.486 1.605 168 3HD2 LEU 20 3HD2 LEU 20 5.450 2.112 1.277 169 H LYS 21 HN LYS 21 7.536 -1.766 -0.090 170 HA LYS 21 HA LYS 21 9.410 -1.438 2.032 171 1HB LYS 21 HB2 LYS 21 7.572 -3.419 0.972 172 2HB LYS 21 HB1 LYS 21 9.046 -4.195 1.548 173 1HG LYS 21 HG2 LYS 21 8.511 -2.338 3.533 174 2HG LYS 21 HG1 LYS 21 6.904 -2.906 3.075 175 1HD LYS 21 HD2 LYS 21 7.487 -5.188 3.497 176 2HD LYS 21 HD1 LYS 21 9.200 -4.791 3.643 177 1HE LYS 21 HE2 LYS 21 8.461 -3.254 5.614 178 2HE LYS 21 HE1 LYS 21 6.967 -4.211 5.592 179 1HZ LYS 21 HZ1 LYS 21 9.726 -5.319 5.736 180 2HZ LYS 21 HZ2 LYS 21 8.291 -6.230 5.706 181 3HZ LYS 21 HZ3 LYS 21 8.638 -5.228 7.033 182 H LYS 22 HN LYS 22 9.674 -3.289 -1.002 183 HA LYS 22 HA LYS 22 12.313 -4.304 -0.630 184 1HB LYS 22 HB2 LYS 22 10.684 -5.050 -2.342 185 2HB LYS 22 HB1 LYS 22 10.840 -3.496 -3.162 186 1HG LYS 22 HG2 LYS 22 13.365 -4.982 -2.620 187 2HG LYS 22 HG1 LYS 22 12.304 -5.648 -3.861 188 1HD LYS 22 HD2 LYS 22 12.484 -2.785 -4.180 189 2HD LYS 22 HD1 LYS 22 14.105 -3.478 -4.127 190 1HE LYS 22 HE2 LYS 22 13.785 -4.725 -6.062 191 2HE LYS 22 HE1 LYS 22 12.032 -4.849 -5.815 192 1HZ LYS 22 HZ1 LYS 22 13.511 -2.359 -6.498 193 2HZ LYS 22 HZ2 LYS 22 11.834 -2.476 -6.244 194 3HZ LYS 22 HZ3 LYS 22 12.552 -3.257 -7.569 195 H ILE 23 HN ILE 23 11.176 -1.175 -1.858 196 HA ILE 23 HA ILE 23 13.728 -0.255 -2.843 197 HB ILE 23 HB ILE 23 11.266 1.217 -1.842 198 1HG1 ILE 23 2HG1 ILE 23 10.785 -0.270 -3.730 199 2HG1 ILE 23 1HG1 ILE 23 10.752 1.405 -4.276 200 1HG2 ILE 23 1HG2 ILE 23 12.119 3.121 -3.165 201 2HG2 ILE 23 2HG2 ILE 23 13.575 2.203 -3.549 202 3HG2 ILE 23 3HG2 ILE 23 13.249 2.683 -1.884 203 1HD1 ILE 23 1HD1 ILE 23 13.139 1.131 -5.030 204 2HD1 ILE 23 2HD1 ILE 23 11.996 0.111 -5.902 205 3HD1 ILE 23 3HD1 ILE 23 13.011 -0.584 -4.640 206 H VAL 24 HN VAL 24 12.030 0.168 0.255 207 HA VAL 24 HA VAL 24 14.137 1.732 1.502 208 HB VAL 24 HB VAL 24 11.829 0.082 2.599 209 1HG1 VAL 24 1HG1 VAL 24 13.484 2.230 3.964 210 2HG1 VAL 24 2HG1 VAL 24 13.595 0.501 4.299 211 3HG1 VAL 24 3HG1 VAL 24 12.108 1.377 4.663 212 1HG2 VAL 24 1HG2 VAL 24 10.659 2.220 2.736 213 2HG2 VAL 24 2HG2 VAL 24 11.222 1.981 1.082 214 3HG2 VAL 24 3HG2 VAL 24 12.090 3.075 2.160 215 H LEU 25 HN LEU 25 13.292 -1.690 1.351 216 HA LEU 25 HA LEU 25 15.247 -2.642 3.261 217 1HB LEU 25 HB2 LEU 25 13.268 -3.917 2.669 218 2HB LEU 25 HB1 LEU 25 13.705 -3.894 0.963 219 HG LEU 25 HG LEU 25 15.740 -5.215 1.485 220 1HD1 LEU 25 1HD1 LEU 25 15.812 -6.298 3.772 221 2HD1 LEU 25 2HD1 LEU 25 14.560 -5.164 4.278 222 3HD1 LEU 25 3HD1 LEU 25 16.142 -4.566 3.777 223 1HD2 LEU 25 1HD2 LEU 25 13.161 -6.436 2.520 224 2HD2 LEU 25 2HD2 LEU 25 14.572 -7.335 1.963 225 3HD2 LEU 25 3HD2 LEU 25 13.647 -6.355 0.826 226 H GLY 26 HN GLY 26 15.242 -2.216 -0.284 227 1HA GLY 26 HA2 GLY 26 18.036 -1.766 -0.496 228 2HA GLY 26 HA1 GLY 26 17.747 -3.476 -0.817 229 H TRP 27 HN TRP 27 17.266 -0.220 -2.011 230 HA TRP 27 HA TRP 27 15.884 -1.261 -4.443 231 1HB TRP 27 HB2 TRP 27 15.082 0.927 -4.696 232 2HB TRP 27 HB1 TRP 27 15.198 0.786 -2.946 233 HD1 TRP 27 HD1 TRP 27 17.445 1.880 -1.802 234 HE1 TRP 27 HE1 TRP 27 18.792 3.959 -2.516 235 HE3 TRP 27 HE3 TRP 27 15.847 2.354 -6.629 236 HZ2 TRP 27 HZ2 TRP 27 19.145 5.605 -4.828 237 HZ3 TRP 27 HZ3 TRP 27 16.703 4.186 -8.063 238 HH2 TRP 27 HH2 TRP 27 18.348 5.810 -7.168 239 H ALA 28 HN ALA 28 16.696 -0.553 -6.573 240 HA ALA 28 HA ALA 28 18.411 -0.392 -8.181 241 1HB ALA 28 HB1 ALA 28 18.487 1.875 -7.312 242 2HB ALA 28 HB2 ALA 28 20.146 1.334 -7.560 243 3HB ALA 28 HB3 ALA 28 19.463 1.361 -5.935 Start of MODEL 17 1 1H SER 1 HT1 SER 1 -11.495 4.095 7.506 2 2H SER 1 HT2 SER 1 -12.395 2.854 6.769 3 3H SER 1 HT3 SER 1 -11.815 2.661 8.355 4 HA SER 1 HA SER 1 -14.243 3.201 8.212 5 1HB SER 1 HB2 SER 1 -13.912 5.023 9.999 6 2HB SER 1 HB1 SER 1 -13.065 3.504 10.267 7 HG SER 1 HG SER 1 -11.809 5.512 10.497 8 H GLY 2 HN GLY 2 -15.805 4.833 7.720 9 1HA GLY 2 HA2 GLY 2 -16.243 7.208 7.062 10 2HA GLY 2 HA1 GLY 2 -14.787 7.118 6.072 11 H ASN 3 HN ASN 3 -14.938 4.983 4.556 12 HA ASN 3 HA ASN 3 -17.687 4.674 3.460 13 1HB ASN 3 HB2 ASN 3 -15.485 6.269 2.334 14 2HB ASN 3 HB1 ASN 3 -16.173 5.120 1.190 15 1HD2 ASN 3 1HD2 ASN 3 -16.617 8.227 2.502 16 2HD2 ASN 3 2HD2 ASN 3 -18.235 8.453 2.046 17 H TYR 4 HN TYR 4 -17.743 2.929 1.792 18 HA TYR 4 HA TYR 4 -16.334 0.564 2.588 19 1HB TYR 4 HB2 TYR 4 -18.570 0.953 1.305 20 2HB TYR 4 HB1 TYR 4 -17.557 1.034 -0.136 21 HD1 TYR 4 HD1 TYR 4 -18.611 -1.122 2.695 22 HD2 TYR 4 HD2 TYR 4 -16.521 -0.928 -1.053 23 HE1 TYR 4 HE1 TYR 4 -18.513 -3.599 2.620 24 HE2 TYR 4 HE2 TYR 4 -16.425 -3.404 -1.128 25 HH TYR 4 HH TYR 4 -16.576 -5.315 1.089 26 H VAL 5 HN VAL 5 -15.920 2.630 -0.328 27 HA VAL 5 HA VAL 5 -13.674 1.219 -1.409 28 HB VAL 5 HB VAL 5 -13.340 3.323 -2.696 29 1HG1 VAL 5 1HG1 VAL 5 -16.259 3.298 -2.722 30 2HG1 VAL 5 2HG1 VAL 5 -15.582 1.670 -2.695 31 3HG1 VAL 5 3HG1 VAL 5 -15.122 2.795 -3.972 32 1HG2 VAL 5 1HG2 VAL 5 -13.708 4.997 -0.991 33 2HG2 VAL 5 2HG2 VAL 5 -15.351 4.424 -0.708 34 3HG2 VAL 5 3HG2 VAL 5 -14.945 5.221 -2.227 35 H LEU 6 HN LEU 6 -13.863 3.907 0.938 36 HA LEU 6 HA LEU 6 -11.078 4.508 1.140 37 1HB LEU 6 HB2 LEU 6 -13.198 5.650 2.119 38 2HB LEU 6 HB1 LEU 6 -13.053 4.487 3.437 39 HG LEU 6 HG LEU 6 -10.593 5.991 2.665 40 1HD1 LEU 6 1HD1 LEU 6 -12.090 7.844 2.680 41 2HD1 LEU 6 2HD1 LEU 6 -11.375 7.820 4.292 42 3HD1 LEU 6 3HD1 LEU 6 -13.004 7.191 4.041 43 1HD2 LEU 6 1HD2 LEU 6 -11.829 4.736 5.090 44 2HD2 LEU 6 2HD2 LEU 6 -10.657 6.033 5.324 45 3HD2 LEU 6 3HD2 LEU 6 -10.192 4.569 4.458 46 H ASP 7 HN ASP 7 -13.110 2.109 2.808 47 HA ASP 7 HA ASP 7 -11.055 1.026 4.521 48 1HB ASP 7 HB2 ASP 7 -13.818 0.455 3.635 49 2HB ASP 7 HB1 ASP 7 -12.901 -0.978 4.090 50 H LEU 8 HN LEU 8 -12.152 0.316 1.225 51 HA LEU 8 HA LEU 8 -10.540 -2.092 0.893 52 1HB LEU 8 HB2 LEU 8 -12.567 -0.583 -0.478 53 2HB LEU 8 HB1 LEU 8 -11.238 -0.890 -1.594 54 HG LEU 8 HG LEU 8 -11.484 -3.309 -0.286 55 1HD1 LEU 8 1HD1 LEU 8 -14.266 -2.219 -0.818 56 2HD1 LEU 8 2HD1 LEU 8 -13.582 -2.502 0.781 57 3HD1 LEU 8 3HD1 LEU 8 -13.874 -3.860 -0.306 58 1HD2 LEU 8 1HD2 LEU 8 -12.752 -3.956 -2.441 59 2HD2 LEU 8 2HD2 LEU 8 -11.161 -3.222 -2.641 60 3HD2 LEU 8 3HD2 LEU 8 -12.616 -2.255 -2.887 61 H ILE 9 HN ILE 9 -10.080 1.369 0.239 62 HA ILE 9 HA ILE 9 -7.889 1.359 -1.527 63 HB ILE 9 HB ILE 9 -8.718 3.069 0.820 64 1HG1 ILE 9 2HG1 ILE 9 -9.940 3.023 -1.425 65 2HG1 ILE 9 1HG1 ILE 9 -9.410 4.609 -0.871 66 1HG2 ILE 9 1HG2 ILE 9 -6.376 3.433 0.875 67 2HG2 ILE 9 2HG2 ILE 9 -7.003 4.752 -0.113 68 3HG2 ILE 9 3HG2 ILE 9 -6.239 3.360 -0.882 69 1HD1 ILE 9 1HD1 ILE 9 -7.722 4.753 -2.463 70 2HD1 ILE 9 2HD1 ILE 9 -8.933 3.835 -3.356 71 3HD1 ILE 9 3HD1 ILE 9 -7.570 3.003 -2.611 72 H TYR 10 HN TYR 10 -8.001 0.429 1.852 73 HA TYR 10 HA TYR 10 -5.254 0.520 2.560 74 1HB TYR 10 HB2 TYR 10 -6.122 -0.431 4.442 75 2HB TYR 10 HB1 TYR 10 -7.681 -0.324 3.642 76 HD1 TYR 10 HD1 TYR 10 -8.665 -2.313 2.519 77 HD2 TYR 10 HD2 TYR 10 -4.941 -2.545 4.648 78 HE1 TYR 10 HE1 TYR 10 -8.833 -4.783 2.540 79 HE2 TYR 10 HE2 TYR 10 -5.108 -5.018 4.664 80 HH TYR 10 HH TYR 10 -7.483 -6.703 4.441 81 H SER 11 HN SER 11 -7.090 -1.957 0.770 82 HA SER 11 HA SER 11 -4.831 -3.797 0.513 83 1HB SER 11 HB2 SER 11 -7.325 -4.334 0.485 84 2HB SER 11 HB1 SER 11 -7.381 -3.623 -1.124 85 HG SER 11 HG SER 11 -6.668 -5.470 -1.817 86 H LEU 12 HN LEU 12 -6.110 -1.062 -1.266 87 HA LEU 12 HA LEU 12 -4.608 -1.604 -3.723 88 1HB LEU 12 HB2 LEU 12 -6.581 0.311 -2.651 89 2HB LEU 12 HB1 LEU 12 -5.425 1.037 -3.762 90 HG LEU 12 HG LEU 12 -7.147 -1.398 -4.319 91 1HD1 LEU 12 1HD1 LEU 12 -8.258 0.887 -4.305 92 2HD1 LEU 12 2HD1 LEU 12 -8.357 0.017 -5.835 93 3HD1 LEU 12 3HD1 LEU 12 -7.193 1.327 -5.641 94 1HD2 LEU 12 1HD2 LEU 12 -6.221 -0.975 -6.690 95 2HD2 LEU 12 2HD2 LEU 12 -5.120 -1.715 -5.529 96 3HD2 LEU 12 3HD2 LEU 12 -4.982 0.003 -5.903 97 H HIS 13 HN HIS 13 -4.176 0.215 -0.752 98 HA HIS 13 HA HIS 13 -1.874 1.750 -1.721 99 1HB HIS 13 HB2 HIS 13 -3.699 2.221 0.149 100 2HB HIS 13 HB1 HIS 13 -2.564 1.338 1.171 101 HD1 HIS 13 HD1 HIS 13 -2.954 4.533 -0.740 102 HD2 HIS 13 HD2 HIS 13 -0.035 2.627 1.545 103 HE1 HIS 13 HE1 HIS 13 -1.145 6.253 -0.309 104 H LYS 14 HN LYS 14 -2.395 -1.131 0.340 105 HA LYS 14 HA LYS 14 0.251 -1.497 1.272 106 1HB LYS 14 HB2 LYS 14 -0.449 -3.834 1.585 107 2HB LYS 14 HB1 LYS 14 -1.766 -2.744 2.009 108 1HG LYS 14 HG2 LYS 14 -3.012 -4.047 0.629 109 2HG LYS 14 HG1 LYS 14 -2.230 -3.146 -0.665 110 1HD LYS 14 HD2 LYS 14 -1.139 -4.984 -1.371 111 2HD LYS 14 HD1 LYS 14 -0.503 -5.281 0.246 112 1HE LYS 14 HE2 LYS 14 -3.198 -5.991 0.464 113 2HE LYS 14 HE1 LYS 14 -2.715 -6.608 -1.128 114 1HZ LYS 14 HZ1 LYS 14 -2.153 -8.191 0.624 115 2HZ LYS 14 HZ2 LYS 14 -1.217 -7.012 1.413 116 3HZ LYS 14 HZ3 LYS 14 -0.750 -7.591 -0.115 117 H GLN 15 HN GLN 15 -1.102 -2.117 -1.914 118 HA GLN 15 HA GLN 15 0.956 -3.845 -2.938 119 1HB GLN 15 HB2 GLN 15 -1.331 -3.341 -3.909 120 2HB GLN 15 HB1 GLN 15 -0.708 -1.767 -4.399 121 1HG GLN 15 HG2 GLN 15 0.008 -2.747 -6.299 122 2HG GLN 15 HG1 GLN 15 1.209 -3.588 -5.321 123 1HE2 GLN 15 1HE2 GLN 15 1.101 -5.597 -6.516 124 2HE2 GLN 15 2HE2 GLN 15 -0.279 -6.584 -6.501 125 H ILE 16 HN ILE 16 0.585 -0.309 -2.889 126 HA ILE 16 HA ILE 16 3.010 0.311 -4.328 127 HB ILE 16 HB ILE 16 1.223 1.805 -2.384 128 1HG1 ILE 16 2HG1 ILE 16 1.398 2.799 -5.109 129 2HG1 ILE 16 1HG1 ILE 16 0.960 1.092 -5.095 130 1HG2 ILE 16 1HG2 ILE 16 3.191 3.038 -2.145 131 2HG2 ILE 16 2HG2 ILE 16 2.447 3.835 -3.531 132 3HG2 ILE 16 3HG2 ILE 16 3.743 2.667 -3.778 133 1HD1 ILE 16 1HD1 ILE 16 -1.093 2.329 -4.950 134 2HD1 ILE 16 2HD1 ILE 16 -0.449 3.361 -3.674 135 3HD1 ILE 16 3HD1 ILE 16 -0.787 1.663 -3.347 136 H ASN 17 HN ASN 17 2.204 -0.073 -0.903 137 HA ASN 17 HA ASN 17 4.782 0.677 0.170 138 1HB ASN 17 HB2 ASN 17 2.255 0.128 1.109 139 2HB ASN 17 HB1 ASN 17 3.138 -1.309 1.621 140 1HD2 ASN 17 1HD2 ASN 17 2.361 1.811 2.610 141 2HD2 ASN 17 2HD2 ASN 17 3.631 2.059 3.708 142 H ARG 18 HN ARG 18 3.296 -2.445 -0.714 143 HA ARG 18 HA ARG 18 5.247 -4.261 0.185 144 1HB ARG 18 HB2 ARG 18 2.971 -4.628 -0.935 145 2HB ARG 18 HB1 ARG 18 3.802 -4.406 -2.475 146 1HG ARG 18 HG2 ARG 18 5.313 -6.269 -1.949 147 2HG ARG 18 HG1 ARG 18 4.529 -6.477 -0.382 148 1HD ARG 18 HD2 ARG 18 2.338 -6.809 -1.692 149 2HD ARG 18 HD1 ARG 18 3.364 -6.990 -3.130 150 HE ARG 18 HE ARG 18 3.507 -8.749 -0.714 151 1HH1 ARG 18 1HH2 ARG 18 6.095 -8.617 -2.157 152 2HH1 ARG 18 2HH2 ARG 18 5.952 -9.888 -3.322 153 1HH2 ARG 18 1HH1 ARG 18 2.497 -10.135 -3.015 154 2HH2 ARG 18 2HH1 ARG 18 3.907 -10.752 -3.809 155 H GLY 19 HN GLY 19 5.213 -2.386 -2.862 156 1HA GLY 19 HA2 GLY 19 7.783 -3.519 -3.722 157 2HA GLY 19 HA1 GLY 19 6.875 -2.253 -4.556 158 H LEU 20 HN LEU 20 6.566 -0.525 -2.272 159 HA LEU 20 HA LEU 20 8.929 1.060 -2.420 160 1HB LEU 20 HB2 LEU 20 6.763 1.976 -1.855 161 2HB LEU 20 HB1 LEU 20 6.619 0.906 -0.463 162 HG LEU 20 HG LEU 20 8.518 2.032 0.621 163 1HD1 LEU 20 1HD1 LEU 20 9.866 2.725 -1.221 164 2HD1 LEU 20 2HD1 LEU 20 9.289 4.217 -0.480 165 3HD1 LEU 20 3HD1 LEU 20 8.535 3.616 -1.957 166 1HD2 LEU 20 1HD2 LEU 20 7.432 4.274 0.931 167 2HD2 LEU 20 2HD2 LEU 20 6.300 2.931 1.070 168 3HD2 LEU 20 3HD2 LEU 20 6.351 3.892 -0.408 169 H LYS 21 HN LYS 21 7.789 -1.139 0.157 170 HA LYS 21 HA LYS 21 10.081 -0.747 1.869 171 1HB LYS 21 HB2 LYS 21 9.136 -2.658 3.083 172 2HB LYS 21 HB1 LYS 21 7.841 -1.575 2.581 173 1HG LYS 21 HG2 LYS 21 6.861 -3.402 1.681 174 2HG LYS 21 HG1 LYS 21 8.088 -3.298 0.421 175 1HD LYS 21 HD2 LYS 21 8.370 -5.491 1.166 176 2HD LYS 21 HD1 LYS 21 9.568 -4.631 2.133 177 1HE LYS 21 HE2 LYS 21 8.317 -4.804 4.090 178 2HE LYS 21 HE1 LYS 21 6.775 -4.899 3.216 179 1HZ LYS 21 HZ1 LYS 21 7.511 -7.059 2.320 180 2HZ LYS 21 HZ2 LYS 21 7.358 -7.080 4.010 181 3HZ LYS 21 HZ3 LYS 21 8.897 -6.983 3.296 182 H LYS 22 HN LYS 22 9.486 -2.819 -0.892 183 HA LYS 22 HA LYS 22 11.631 -4.712 -0.412 184 1HB LYS 22 HB2 LYS 22 9.731 -5.180 -1.886 185 2HB LYS 22 HB1 LYS 22 10.145 -3.802 -2.902 186 1HG LYS 22 HG2 LYS 22 12.342 -5.740 -2.503 187 2HG LYS 22 HG1 LYS 22 10.957 -6.369 -3.395 188 1HD LYS 22 HD2 LYS 22 12.217 -3.707 -4.078 189 2HD LYS 22 HD1 LYS 22 12.795 -5.217 -4.780 190 1HE LYS 22 HE2 LYS 22 9.848 -4.783 -4.888 191 2HE LYS 22 HE1 LYS 22 10.838 -3.747 -5.936 192 1HZ LYS 22 HZ1 LYS 22 11.086 -6.704 -5.741 193 2HZ LYS 22 HZ2 LYS 22 11.971 -5.689 -6.777 194 3HZ LYS 22 HZ3 LYS 22 10.298 -5.883 -6.999 195 H ILE 23 HN ILE 23 11.370 -1.583 -2.034 196 HA ILE 23 HA ILE 23 14.006 -1.614 -3.243 197 HB ILE 23 HB ILE 23 12.043 0.587 -2.509 198 1HG1 ILE 23 2HG1 ILE 23 12.664 -0.328 -5.299 199 2HG1 ILE 23 1HG1 ILE 23 11.603 -1.323 -4.302 200 1HG2 ILE 23 1HG2 ILE 23 14.442 0.740 -4.362 201 2HG2 ILE 23 2HG2 ILE 23 14.396 1.420 -2.734 202 3HG2 ILE 23 3HG2 ILE 23 13.320 2.047 -3.982 203 1HD1 ILE 23 1HD1 ILE 23 11.215 1.601 -4.998 204 2HD1 ILE 23 2HD1 ILE 23 10.211 0.714 -3.851 205 3HD1 ILE 23 3HD1 ILE 23 10.233 0.245 -5.550 206 H VAL 24 HN VAL 24 12.663 -0.381 -0.201 207 HA VAL 24 HA VAL 24 15.147 0.835 0.715 208 HB VAL 24 HB VAL 24 12.544 0.026 2.054 209 1HG1 VAL 24 1HG1 VAL 24 14.281 0.110 3.759 210 2HG1 VAL 24 2HG1 VAL 24 13.281 1.557 3.894 211 3HG1 VAL 24 3HG1 VAL 24 14.869 1.651 3.132 212 1HG2 VAL 24 1HG2 VAL 24 12.055 2.428 1.939 213 2HG2 VAL 24 2HG2 VAL 24 12.414 1.814 0.326 214 3HG2 VAL 24 3HG2 VAL 24 13.632 2.733 1.211 215 H LEU 25 HN LEU 25 13.604 -2.311 1.042 216 HA LEU 25 HA LEU 25 15.459 -3.283 3.099 217 1HB LEU 25 HB2 LEU 25 13.222 -4.112 3.125 218 2HB LEU 25 HB1 LEU 25 13.241 -4.438 1.395 219 HG LEU 25 HG LEU 25 14.831 -6.253 1.702 220 1HD1 LEU 25 1HD1 LEU 25 16.273 -5.865 3.441 221 2HD1 LEU 25 2HD1 LEU 25 15.089 -6.806 4.347 222 3HD1 LEU 25 3HD1 LEU 25 15.048 -5.043 4.407 223 1HD2 LEU 25 1HD2 LEU 25 12.629 -6.461 3.778 224 2HD2 LEU 25 2HD2 LEU 25 13.422 -7.800 2.949 225 3HD2 LEU 25 3HD2 LEU 25 12.390 -6.692 2.045 226 H GLY 26 HN GLY 26 14.950 -3.851 -0.406 227 1HA GLY 26 HA2 GLY 26 17.258 -5.641 -0.581 228 2HA GLY 26 HA1 GLY 26 16.284 -5.069 -1.935 229 H TRP 27 HN TRP 27 16.535 -2.455 -2.083 230 HA TRP 27 HA TRP 27 19.357 -2.031 -2.749 231 1HB TRP 27 HB2 TRP 27 16.794 -1.031 -3.484 232 2HB TRP 27 HB1 TRP 27 17.727 0.342 -2.892 233 HD1 TRP 27 HD1 TRP 27 17.185 -1.632 -5.916 234 HE1 TRP 27 HE1 TRP 27 19.045 -1.210 -7.650 235 HE3 TRP 27 HE3 TRP 27 20.609 0.758 -2.974 236 HZ2 TRP 27 HZ2 TRP 27 21.642 -0.015 -7.773 237 HZ3 TRP 27 HZ3 TRP 27 22.763 1.526 -3.924 238 HH2 TRP 27 HH2 TRP 27 23.285 1.143 -6.318 239 H ALA 28 HN ALA 28 20.824 -1.317 -1.274 240 HA ALA 28 HA ALA 28 21.783 -0.168 0.545 241 1HB ALA 28 HB1 ALA 28 20.996 2.048 0.822 242 2HB ALA 28 HB2 ALA 28 19.331 1.593 0.462 243 3HB ALA 28 HB3 ALA 28 20.530 1.644 -0.831 Start of MODEL 18 1 1H SER 1 HT1 SER 1 -15.786 10.564 4.376 2 2H SER 1 HT2 SER 1 -14.910 10.576 5.832 3 3H SER 1 HT3 SER 1 -16.233 11.621 5.626 4 HA SER 1 HA SER 1 -16.865 9.752 7.033 5 1HB SER 1 HB2 SER 1 -18.301 10.929 5.206 6 2HB SER 1 HB1 SER 1 -18.107 9.431 4.299 7 HG SER 1 HG SER 1 -19.906 9.867 6.062 8 H GLY 2 HN GLY 2 -17.601 7.359 6.790 9 1HA GLY 2 HA2 GLY 2 -15.304 5.781 5.921 10 2HA GLY 2 HA1 GLY 2 -16.769 5.151 6.675 11 H ASN 3 HN ASN 3 -15.369 6.214 3.608 12 HA ASN 3 HA ASN 3 -17.721 5.274 2.076 13 1HB ASN 3 HB2 ASN 3 -15.293 6.898 1.671 14 2HB ASN 3 HB1 ASN 3 -15.728 5.903 0.285 15 1HD2 ASN 3 1HD2 ASN 3 -17.172 8.275 2.582 16 2HD2 ASN 3 2HD2 ASN 3 -18.312 8.869 1.475 17 H TYR 4 HN TYR 4 -17.444 3.651 0.354 18 HA TYR 4 HA TYR 4 -16.205 1.224 1.208 19 1HB TYR 4 HB2 TYR 4 -18.109 1.784 -0.516 20 2HB TYR 4 HB1 TYR 4 -16.784 1.887 -1.675 21 HD1 TYR 4 HD1 TYR 4 -16.615 -0.059 -2.946 22 HD2 TYR 4 HD2 TYR 4 -17.534 -0.368 1.240 23 HE1 TYR 4 HE1 TYR 4 -16.574 -2.531 -3.119 24 HE2 TYR 4 HE2 TYR 4 -17.492 -2.840 1.066 25 HH TYR 4 HH TYR 4 -17.896 -4.519 -1.342 26 H VAL 5 HN VAL 5 -15.116 3.719 -1.108 27 HA VAL 5 HA VAL 5 -12.771 2.384 -2.048 28 HB VAL 5 HB VAL 5 -12.079 4.663 -2.718 29 1HG1 VAL 5 1HG1 VAL 5 -15.037 4.763 -3.080 30 2HG1 VAL 5 2HG1 VAL 5 -14.201 3.323 -3.661 31 3HG1 VAL 5 3HG1 VAL 5 -13.751 4.913 -4.277 32 1HG2 VAL 5 1HG2 VAL 5 -13.782 6.522 -2.048 33 2HG2 VAL 5 2HG2 VAL 5 -12.544 6.057 -0.881 34 3HG2 VAL 5 3HG2 VAL 5 -14.189 5.446 -0.711 35 H LEU 6 HN LEU 6 -13.293 4.447 0.830 36 HA LEU 6 HA LEU 6 -10.563 4.683 1.654 37 1HB LEU 6 HB2 LEU 6 -13.276 5.027 2.756 38 2HB LEU 6 HB1 LEU 6 -12.077 4.593 3.975 39 HG LEU 6 HG LEU 6 -10.606 6.432 2.916 40 1HD1 LEU 6 1HD1 LEU 6 -11.813 6.804 0.864 41 2HD1 LEU 6 2HD1 LEU 6 -12.007 8.253 1.851 42 3HD1 LEU 6 3HD1 LEU 6 -13.320 7.080 1.736 43 1HD2 LEU 6 1HD2 LEU 6 -11.504 6.821 5.087 44 2HD2 LEU 6 2HD2 LEU 6 -13.148 6.963 4.467 45 3HD2 LEU 6 3HD2 LEU 6 -11.970 8.235 4.144 46 H ASP 7 HN ASP 7 -13.040 2.207 2.364 47 HA ASP 7 HA ASP 7 -11.371 0.587 4.084 48 1HB ASP 7 HB2 ASP 7 -14.021 0.658 3.148 49 2HB ASP 7 HB1 ASP 7 -13.372 -0.854 2.515 50 H LEU 8 HN LEU 8 -12.018 0.643 0.587 51 HA LEU 8 HA LEU 8 -10.491 -1.728 -0.071 52 1HB LEU 8 HB2 LEU 8 -12.093 0.299 -1.342 53 2HB LEU 8 HB1 LEU 8 -10.604 0.081 -2.260 54 HG LEU 8 HG LEU 8 -11.301 -2.516 -1.637 55 1HD1 LEU 8 1HD1 LEU 8 -13.672 -2.756 -2.156 56 2HD1 LEU 8 2HD1 LEU 8 -13.831 -1.015 -2.389 57 3HD1 LEU 8 3HD1 LEU 8 -13.495 -1.664 -0.783 58 1HD2 LEU 8 1HD2 LEU 8 -12.005 -2.627 -4.036 59 2HD2 LEU 8 2HD2 LEU 8 -10.498 -1.740 -3.814 60 3HD2 LEU 8 3HD2 LEU 8 -12.004 -0.865 -4.089 61 H ILE 9 HN ILE 9 -9.649 1.700 0.301 62 HA ILE 9 HA ILE 9 -7.176 1.850 -1.036 63 HB ILE 9 HB ILE 9 -8.297 3.023 1.506 64 1HG1 ILE 9 2HG1 ILE 9 -9.010 3.695 -0.867 65 2HG1 ILE 9 1HG1 ILE 9 -8.513 5.003 0.202 66 1HG2 ILE 9 1HG2 ILE 9 -5.991 3.022 2.065 67 2HG2 ILE 9 2HG2 ILE 9 -6.284 4.624 1.389 68 3HG2 ILE 9 3HG2 ILE 9 -5.505 3.381 0.409 69 1HD1 ILE 9 1HD1 ILE 9 -6.506 3.668 -1.607 70 2HD1 ILE 9 2HD1 ILE 9 -6.447 5.277 -0.888 71 3HD1 ILE 9 3HD1 ILE 9 -7.552 4.947 -2.221 72 H TYR 10 HN TYR 10 -7.998 0.172 1.937 73 HA TYR 10 HA TYR 10 -5.425 -0.303 3.044 74 1HB TYR 10 HB2 TYR 10 -6.719 -1.518 4.476 75 2HB TYR 10 HB1 TYR 10 -8.088 -1.033 3.490 76 HD1 TYR 10 HD1 TYR 10 -5.719 -3.746 4.259 77 HD2 TYR 10 HD2 TYR 10 -9.091 -2.589 1.864 78 HE1 TYR 10 HE1 TYR 10 -6.110 -6.119 3.659 79 HE2 TYR 10 HE2 TYR 10 -9.480 -4.958 1.263 80 HH TYR 10 HH TYR 10 -7.336 -7.294 1.498 81 H SER 11 HN SER 11 -7.188 -2.059 0.481 82 HA SER 11 HA SER 11 -5.067 -4.026 0.053 83 1HB SER 11 HB2 SER 11 -7.650 -4.093 -0.418 84 2HB SER 11 HB1 SER 11 -7.228 -3.267 -1.915 85 HG SER 11 HG SER 11 -7.258 -5.642 -1.966 86 H LEU 12 HN LEU 12 -5.962 -0.871 -1.240 87 HA LEU 12 HA LEU 12 -4.189 -0.932 -3.541 88 1HB LEU 12 HB2 LEU 12 -5.755 1.124 -1.985 89 2HB LEU 12 HB1 LEU 12 -4.664 1.633 -3.270 90 HG LEU 12 HG LEU 12 -6.805 -0.469 -3.675 91 1HD1 LEU 12 1HD1 LEU 12 -6.906 2.534 -4.043 92 2HD1 LEU 12 2HD1 LEU 12 -8.003 1.523 -3.104 93 3HD1 LEU 12 3HD1 LEU 12 -8.015 1.436 -4.865 94 1HD2 LEU 12 1HD2 LEU 12 -6.443 0.248 -6.080 95 2HD2 LEU 12 2HD2 LEU 12 -5.055 -0.551 -5.340 96 3HD2 LEU 12 3HD2 LEU 12 -5.070 1.203 -5.519 97 H HIS 13 HN HIS 13 -3.920 0.049 -0.167 98 HA HIS 13 HA HIS 13 -1.368 1.421 -0.453 99 1HB HIS 13 HB2 HIS 13 -3.319 1.512 1.358 100 2HB HIS 13 HB1 HIS 13 -2.347 0.260 2.132 101 HD1 HIS 13 HD1 HIS 13 0.015 0.929 2.990 102 HD2 HIS 13 HD2 HIS 13 -2.081 4.082 1.248 103 HE1 HIS 13 HE1 HIS 13 1.296 3.038 3.553 104 H LYS 14 HN LYS 14 -2.335 -1.828 0.774 105 HA LYS 14 HA LYS 14 0.308 -2.696 1.447 106 1HB LYS 14 HB2 LYS 14 -0.704 -4.932 1.419 107 2HB LYS 14 HB1 LYS 14 -1.833 -3.782 2.129 108 1HG LYS 14 HG2 LYS 14 -3.326 -4.621 0.647 109 2HG LYS 14 HG1 LYS 14 -2.474 -3.637 -0.540 110 1HD LYS 14 HD2 LYS 14 -1.143 -5.467 -1.266 111 2HD LYS 14 HD1 LYS 14 -1.578 -6.439 0.141 112 1HE LYS 14 HE2 LYS 14 -2.941 -7.335 -1.583 113 2HE LYS 14 HE1 LYS 14 -4.031 -6.201 -0.762 114 1HZ LYS 14 HZ1 LYS 14 -2.341 -5.556 -3.123 115 2HZ LYS 14 HZ2 LYS 14 -3.402 -4.482 -2.337 116 3HZ LYS 14 HZ3 LYS 14 -4.012 -5.833 -3.168 117 H GLN 15 HN GLN 15 -1.306 -2.358 -1.626 118 HA GLN 15 HA GLN 15 0.505 -4.063 -3.155 119 1HB GLN 15 HB2 GLN 15 -1.821 -3.519 -3.838 120 2HB GLN 15 HB1 GLN 15 -1.384 -1.814 -3.949 121 1HG GLN 15 HG2 GLN 15 0.378 -2.487 -5.652 122 2HG GLN 15 HG1 GLN 15 -0.349 -4.094 -5.656 123 1HE2 GLN 15 1HE2 GLN 15 -0.338 -1.476 -7.558 124 2HE2 GLN 15 2HE2 GLN 15 -1.949 -1.449 -8.086 125 H ILE 16 HN ILE 16 0.317 -0.692 -2.200 126 HA ILE 16 HA ILE 16 2.589 0.158 -3.861 127 HB ILE 16 HB ILE 16 0.753 1.390 -1.797 128 1HG1 ILE 16 2HG1 ILE 16 1.308 2.178 -4.669 129 2HG1 ILE 16 1HG1 ILE 16 0.059 1.019 -4.217 130 1HG2 ILE 16 1HG2 ILE 16 3.273 2.546 -2.997 131 2HG2 ILE 16 2HG2 ILE 16 2.779 2.519 -1.305 132 3HG2 ILE 16 3HG2 ILE 16 1.953 3.580 -2.446 133 1HD1 ILE 16 1HD1 ILE 16 0.172 3.748 -2.938 134 2HD1 ILE 16 2HD1 ILE 16 -1.196 2.640 -3.052 135 3HD1 ILE 16 3HD1 ILE 16 -0.637 3.503 -4.485 136 H ASN 17 HN ASN 17 1.972 -0.935 -0.585 137 HA ASN 17 HA ASN 17 4.519 -0.037 0.528 138 1HB ASN 17 HB2 ASN 17 2.033 -1.201 1.384 139 2HB ASN 17 HB1 ASN 17 3.361 -2.166 2.029 140 1HD2 ASN 17 1HD2 ASN 17 4.931 -1.062 3.452 141 2HD2 ASN 17 2HD2 ASN 17 4.547 0.423 4.177 142 H ARG 18 HN ARG 18 3.235 -3.213 -0.590 143 HA ARG 18 HA ARG 18 5.462 -4.824 0.070 144 1HB ARG 18 HB2 ARG 18 4.565 -6.342 -1.607 145 2HB ARG 18 HB1 ARG 18 3.215 -5.540 -0.808 146 1HG ARG 18 HG2 ARG 18 3.289 -3.841 -2.723 147 2HG ARG 18 HG1 ARG 18 4.353 -4.981 -3.550 148 1HD ARG 18 HD2 ARG 18 2.601 -6.752 -3.285 149 2HD ARG 18 HD1 ARG 18 1.521 -5.526 -2.595 150 HE ARG 18 HE ARG 18 1.935 -4.239 -4.787 151 1HH1 ARG 18 1HH1 ARG 18 3.842 -6.128 -6.024 152 2HH1 ARG 18 2HH1 ARG 18 2.827 -7.112 -7.023 153 1HH2 ARG 18 1HH2 ARG 18 -0.106 -6.172 -5.409 154 2HH2 ARG 18 2HH2 ARG 18 0.579 -7.137 -6.674 155 H GLY 19 HN GLY 19 5.002 -2.674 -2.732 156 1HA GLY 19 HA2 GLY 19 7.569 -3.470 -3.928 157 2HA GLY 19 HA1 GLY 19 6.489 -2.209 -4.530 158 H LEU 20 HN LEU 20 6.203 -0.712 -2.134 159 HA LEU 20 HA LEU 20 8.450 1.033 -2.215 160 1HB LEU 20 HB2 LEU 20 6.268 1.750 -1.464 161 2HB LEU 20 HB1 LEU 20 6.254 0.536 -0.187 162 HG LEU 20 HG LEU 20 8.122 1.663 0.938 163 1HD1 LEU 20 1HD1 LEU 20 8.045 3.337 -1.554 164 2HD1 LEU 20 2HD1 LEU 20 9.438 2.679 -0.697 165 3HD1 LEU 20 3HD1 LEU 20 8.579 4.073 -0.043 166 1HD2 LEU 20 1HD2 LEU 20 5.709 2.370 1.306 167 2HD2 LEU 20 2HD2 LEU 20 6.015 3.713 0.203 168 3HD2 LEU 20 3HD2 LEU 20 6.913 3.592 1.717 169 H LYS 21 HN LYS 21 7.623 -1.571 0.065 170 HA LYS 21 HA LYS 21 9.768 -1.239 1.910 171 1HB LYS 21 HB2 LYS 21 7.844 -3.333 1.069 172 2HB LYS 21 HB1 LYS 21 9.291 -3.930 1.879 173 1HG LYS 21 HG2 LYS 21 8.711 -1.908 3.546 174 2HG LYS 21 HG1 LYS 21 7.082 -2.239 2.950 175 1HD LYS 21 HD2 LYS 21 7.804 -4.759 3.409 176 2HD LYS 21 HD1 LYS 21 8.909 -3.991 4.547 177 1HE LYS 21 HE2 LYS 21 6.046 -3.093 4.576 178 2HE LYS 21 HE1 LYS 21 6.436 -4.664 5.300 179 1HZ LYS 21 HZ1 LYS 21 6.817 -3.162 7.024 180 2HZ LYS 21 HZ2 LYS 21 7.509 -1.997 5.999 181 3HZ LYS 21 HZ3 LYS 21 8.369 -3.410 6.389 182 H LYS 22 HN LYS 22 9.541 -3.459 -0.874 183 HA LYS 22 HA LYS 22 12.118 -4.572 -0.839 184 1HB LYS 22 HB2 LYS 22 10.186 -5.168 -2.318 185 2HB LYS 22 HB1 LYS 22 10.493 -3.704 -3.252 186 1HG LYS 22 HG2 LYS 22 12.932 -5.250 -2.912 187 2HG LYS 22 HG1 LYS 22 11.665 -6.220 -3.661 188 1HD LYS 22 HD2 LYS 22 11.431 -4.739 -5.480 189 2HD LYS 22 HD1 LYS 22 12.229 -3.421 -4.623 190 1HE LYS 22 HE2 LYS 22 14.187 -4.035 -5.582 191 2HE LYS 22 HE1 LYS 22 14.087 -5.586 -4.727 192 1HZ LYS 22 HZ1 LYS 22 14.118 -5.900 -7.142 193 2HZ LYS 22 HZ2 LYS 22 12.721 -4.945 -7.293 194 3HZ LYS 22 HZ3 LYS 22 12.654 -6.432 -6.473 195 H ILE 23 HN ILE 23 11.097 -1.433 -2.142 196 HA ILE 23 HA ILE 23 13.623 -0.755 -3.374 197 HB ILE 23 HB ILE 23 11.248 0.850 -2.382 198 1HG1 ILE 23 2HG1 ILE 23 12.077 0.332 -5.238 199 2HG1 ILE 23 1HG1 ILE 23 11.111 -0.846 -4.351 200 1HG2 ILE 23 1HG2 ILE 23 12.376 2.481 -4.199 201 2HG2 ILE 23 2HG2 ILE 23 13.837 1.704 -3.589 202 3HG2 ILE 23 3HG2 ILE 23 12.772 2.571 -2.482 203 1HD1 ILE 23 1HD1 ILE 23 10.389 2.054 -4.863 204 2HD1 ILE 23 2HD1 ILE 23 9.454 0.955 -3.849 205 3HD1 ILE 23 3HD1 ILE 23 9.617 0.636 -5.576 206 H VAL 24 HN VAL 24 12.158 0.046 -0.223 207 HA VAL 24 HA VAL 24 14.381 1.611 0.751 208 HB VAL 24 HB VAL 24 12.127 0.101 2.113 209 1HG1 VAL 24 1HG1 VAL 24 13.519 0.404 3.929 210 2HG1 VAL 24 2HG1 VAL 24 12.759 1.995 3.900 211 3HG1 VAL 24 3HG1 VAL 24 14.359 1.769 3.192 212 1HG2 VAL 24 1HG2 VAL 24 11.071 2.300 2.245 213 2HG2 VAL 24 2HG2 VAL 24 11.496 1.968 0.566 214 3HG2 VAL 24 3HG2 VAL 24 12.493 3.059 1.530 215 H LEU 25 HN LEU 25 13.570 -1.823 0.862 216 HA LEU 25 HA LEU 25 15.647 -2.605 2.738 217 1HB LEU 25 HB2 LEU 25 14.055 -4.096 0.621 218 2HB LEU 25 HB1 LEU 25 15.061 -4.883 1.836 219 HG LEU 25 HG LEU 25 12.906 -2.931 2.623 220 1HD1 LEU 25 1HD1 LEU 25 11.339 -4.759 2.848 221 2HD1 LEU 25 2HD1 LEU 25 12.568 -5.933 2.378 222 3HD1 LEU 25 3HD1 LEU 25 11.952 -4.781 1.195 223 1HD2 LEU 25 1HD2 LEU 25 14.656 -3.629 4.271 224 2HD2 LEU 25 2HD2 LEU 25 14.153 -5.304 4.047 225 3HD2 LEU 25 3HD2 LEU 25 13.035 -4.134 4.747 226 H GLY 26 HN GLY 26 15.410 -2.403 -0.799 227 1HA GLY 26 HA2 GLY 26 18.029 -3.595 -1.265 228 2HA GLY 26 HA1 GLY 26 17.026 -2.797 -2.474 229 H TRP 27 HN TRP 27 16.788 -0.295 -0.895 230 HA TRP 27 HA TRP 27 19.455 0.834 -1.592 231 1HB TRP 27 HB2 TRP 27 16.878 1.595 -2.121 232 2HB TRP 27 HB1 TRP 27 17.236 2.582 -0.705 233 HD1 TRP 27 HD1 TRP 27 18.727 1.768 -4.171 234 HE1 TRP 27 HE1 TRP 27 20.048 3.825 -4.984 235 HE3 TRP 27 HE3 TRP 27 18.287 4.779 -0.068 236 HZ2 TRP 27 HZ2 TRP 27 20.816 6.408 -4.023 237 HZ3 TRP 27 HZ3 TRP 27 19.322 7.030 -0.044 238 HH2 TRP 27 HH2 TRP 27 20.584 7.847 -2.015 239 H ALA 28 HN ALA 28 20.138 2.715 -0.073 240 HA ALA 28 HA ALA 28 20.899 3.424 2.033 241 1HB ALA 28 HB1 ALA 28 18.368 3.616 2.228 242 2HB ALA 28 HB2 ALA 28 19.220 3.431 3.761 243 3HB ALA 28 HB3 ALA 28 18.390 2.053 3.043 Start of MODEL 19 1 1H SER 1 HT1 SER 1 -25.513 3.196 -7.109 2 2H SER 1 HT2 SER 1 -24.174 3.936 -7.849 3 3H SER 1 HT3 SER 1 -24.729 4.489 -6.341 4 HA SER 1 HA SER 1 -24.139 2.313 -5.349 5 1HB SER 1 HB2 SER 1 -22.753 0.846 -6.856 6 2HB SER 1 HB1 SER 1 -24.418 1.029 -7.400 7 HG SER 1 HG SER 1 -22.590 1.350 -8.971 8 H GLY 2 HN GLY 2 -21.679 1.755 -4.954 9 1HA GLY 2 HA2 GLY 2 -19.351 2.594 -5.203 10 2HA GLY 2 HA1 GLY 2 -20.027 4.215 -5.376 11 H ASN 3 HN ASN 3 -18.982 1.806 -3.132 12 HA ASN 3 HA ASN 3 -19.197 3.734 -0.911 13 1HB ASN 3 HB2 ASN 3 -21.312 2.025 -1.436 14 2HB ASN 3 HB1 ASN 3 -20.400 1.142 -0.212 15 1HD2 ASN 3 1HD2 ASN 3 -21.616 4.490 -0.829 16 2HD2 ASN 3 2HD2 ASN 3 -21.970 4.810 0.800 17 H TYR 4 HN TYR 4 -18.482 2.379 1.212 18 HA TYR 4 HA TYR 4 -16.471 1.595 2.202 19 1HB TYR 4 HB2 TYR 4 -16.330 -0.911 1.745 20 2HB TYR 4 HB1 TYR 4 -17.883 -0.309 2.305 21 HD1 TYR 4 HD1 TYR 4 -15.996 -1.472 -0.679 22 HD2 TYR 4 HD2 TYR 4 -19.843 -0.426 0.923 23 HE1 TYR 4 HE1 TYR 4 -17.094 -2.433 -2.684 24 HE2 TYR 4 HE2 TYR 4 -20.938 -1.384 -1.083 25 HH TYR 4 HH TYR 4 -19.937 -3.412 -2.931 26 H VAL 5 HN VAL 5 -15.649 3.137 0.052 27 HA VAL 5 HA VAL 5 -13.684 1.510 -1.483 28 HB VAL 5 HB VAL 5 -13.402 3.549 -2.799 29 1HG1 VAL 5 1HG1 VAL 5 -16.354 3.455 -2.218 30 2HG1 VAL 5 2HG1 VAL 5 -15.542 2.076 -2.960 31 3HG1 VAL 5 3HG1 VAL 5 -15.536 3.644 -3.768 32 1HG2 VAL 5 1HG2 VAL 5 -14.718 5.604 -2.183 33 2HG2 VAL 5 2HG2 VAL 5 -13.419 5.230 -1.052 34 3HG2 VAL 5 3HG2 VAL 5 -15.089 4.846 -0.635 35 H LEU 6 HN LEU 6 -13.771 4.143 0.940 36 HA LEU 6 HA LEU 6 -10.968 4.682 1.057 37 1HB LEU 6 HB2 LEU 6 -13.055 5.843 2.125 38 2HB LEU 6 HB1 LEU 6 -12.813 4.701 3.447 39 HG LEU 6 HG LEU 6 -10.318 5.524 3.331 40 1HD1 LEU 6 1HD1 LEU 6 -10.616 6.864 1.281 41 2HD1 LEU 6 2HD1 LEU 6 -10.152 7.891 2.638 42 3HD1 LEU 6 3HD1 LEU 6 -11.831 7.849 2.098 43 1HD2 LEU 6 1HD2 LEU 6 -11.887 5.871 5.227 44 2HD2 LEU 6 2HD2 LEU 6 -12.526 7.302 4.418 45 3HD2 LEU 6 3HD2 LEU 6 -10.851 7.276 4.969 46 H ASP 7 HN ASP 7 -12.972 2.327 2.845 47 HA ASP 7 HA ASP 7 -10.877 1.223 4.466 48 1HB ASP 7 HB2 ASP 7 -13.542 0.960 4.328 49 2HB ASP 7 HB1 ASP 7 -13.111 -0.460 3.380 50 H LEU 8 HN LEU 8 -12.157 0.358 1.258 51 HA LEU 8 HA LEU 8 -10.515 -1.920 0.728 52 1HB LEU 8 HB2 LEU 8 -12.465 -0.297 -0.547 53 2HB LEU 8 HB1 LEU 8 -11.088 -0.383 -1.642 54 HG LEU 8 HG LEU 8 -11.352 -2.986 -0.647 55 1HD1 LEU 8 1HD1 LEU 8 -13.770 -3.456 -1.290 56 2HD1 LEU 8 2HD1 LEU 8 -14.041 -1.714 -1.222 57 3HD1 LEU 8 3HD1 LEU 8 -13.551 -2.588 0.229 58 1HD2 LEU 8 1HD2 LEU 8 -11.885 -3.532 -2.942 59 2HD2 LEU 8 2HD2 LEU 8 -10.775 -2.162 -2.973 60 3HD2 LEU 8 3HD2 LEU 8 -12.500 -1.906 -3.241 61 H ILE 9 HN ILE 9 -9.865 1.562 0.337 62 HA ILE 9 HA ILE 9 -7.605 1.514 -1.348 63 HB ILE 9 HB ILE 9 -8.318 3.185 1.080 64 1HG1 ILE 9 2HG1 ILE 9 -8.324 3.905 -1.863 65 2HG1 ILE 9 1HG1 ILE 9 -9.731 3.232 -1.046 66 1HG2 ILE 9 1HG2 ILE 9 -5.941 3.421 0.887 67 2HG2 ILE 9 2HG2 ILE 9 -6.637 4.832 0.092 68 3HG2 ILE 9 3HG2 ILE 9 -6.023 3.490 -0.873 69 1HD1 ILE 9 1HD1 ILE 9 -8.490 5.924 -0.774 70 2HD1 ILE 9 2HD1 ILE 9 -9.144 5.197 0.694 71 3HD1 ILE 9 3HD1 ILE 9 -10.189 5.458 -0.703 72 H TYR 10 HN TYR 10 -7.894 0.462 1.990 73 HA TYR 10 HA TYR 10 -5.170 0.417 2.797 74 1HB TYR 10 HB2 TYR 10 -6.102 -0.622 4.607 75 2HB TYR 10 HB1 TYR 10 -7.633 -0.318 3.807 76 HD1 TYR 10 HD1 TYR 10 -8.738 -2.143 2.475 77 HD2 TYR 10 HD2 TYR 10 -5.178 -2.840 4.774 78 HE1 TYR 10 HE1 TYR 10 -9.146 -4.580 2.365 79 HE2 TYR 10 HE2 TYR 10 -5.585 -5.282 4.657 80 HH TYR 10 HH TYR 10 -8.378 -6.648 4.001 81 H SER 11 HN SER 11 -7.032 -1.924 0.860 82 HA SER 11 HA SER 11 -4.850 -3.843 0.597 83 1HB SER 11 HB2 SER 11 -7.397 -4.185 0.391 84 2HB SER 11 HB1 SER 11 -7.259 -3.460 -1.208 85 HG SER 11 HG SER 11 -7.051 -5.874 -0.936 86 H LEU 12 HN LEU 12 -6.104 -1.099 -1.274 87 HA LEU 12 HA LEU 12 -4.518 -1.440 -3.642 88 1HB LEU 12 HB2 LEU 12 -6.348 0.445 -2.445 89 2HB LEU 12 HB1 LEU 12 -4.965 1.321 -3.097 90 HG LEU 12 HG LEU 12 -6.623 -0.705 -4.628 91 1HD1 LEU 12 1HD1 LEU 12 -6.482 2.300 -4.989 92 2HD1 LEU 12 2HD1 LEU 12 -7.754 1.492 -4.072 93 3HD1 LEU 12 3HD1 LEU 12 -7.572 1.172 -5.797 94 1HD2 LEU 12 1HD2 LEU 12 -4.269 -0.585 -5.371 95 2HD2 LEU 12 2HD2 LEU 12 -4.397 1.169 -5.503 96 3HD2 LEU 12 3HD2 LEU 12 -5.338 0.134 -6.576 97 H HIS 13 HN HIS 13 -3.965 0.247 -0.576 98 HA HIS 13 HA HIS 13 -1.435 1.438 -1.288 99 1HB HIS 13 HB2 HIS 13 -3.184 1.842 0.665 100 2HB HIS 13 HB1 HIS 13 -2.183 0.667 1.519 101 HD1 HIS 13 HD1 HIS 13 -2.413 4.192 0.962 102 HD2 HIS 13 HD2 HIS 13 0.765 1.506 1.232 103 HE1 HIS 13 HE1 HIS 13 -0.341 5.573 1.434 104 H LYS 14 HN LYS 14 -2.366 -1.746 -0.076 105 HA LYS 14 HA LYS 14 0.168 -2.626 0.913 106 1HB LYS 14 HB2 LYS 14 -2.435 -3.722 0.147 107 2HB LYS 14 HB1 LYS 14 -1.117 -4.841 -0.205 108 1HG LYS 14 HG2 LYS 14 -2.038 -5.119 2.104 109 2HG LYS 14 HG1 LYS 14 -0.325 -4.703 2.093 110 1HD LYS 14 HD2 LYS 14 -0.719 -2.821 3.263 111 2HD LYS 14 HD1 LYS 14 -1.917 -2.292 2.083 112 1HE LYS 14 HE2 LYS 14 -3.441 -2.593 3.750 113 2HE LYS 14 HE1 LYS 14 -3.238 -4.330 3.448 114 1HZ LYS 14 HZ1 LYS 14 -1.180 -4.110 4.926 115 2HZ LYS 14 HZ2 LYS 14 -2.697 -4.081 5.692 116 3HZ LYS 14 HZ3 LYS 14 -1.846 -2.634 5.435 117 H GLN 15 HN GLN 15 -1.149 -2.418 -2.345 118 HA GLN 15 HA GLN 15 0.915 -3.978 -3.655 119 1HB GLN 15 HB2 GLN 15 -1.230 -2.020 -4.425 120 2HB GLN 15 HB1 GLN 15 -0.020 -2.468 -5.627 121 1HG GLN 15 HG2 GLN 15 -1.217 -4.720 -4.108 122 2HG GLN 15 HG1 GLN 15 -2.302 -3.882 -5.217 123 1HE2 GLN 15 1HE2 GLN 15 -0.365 -6.522 -5.177 124 2HE2 GLN 15 2HE2 GLN 15 0.167 -6.536 -6.789 125 H ILE 16 HN ILE 16 0.521 -0.589 -2.775 126 HA ILE 16 HA ILE 16 2.912 0.335 -4.192 127 HB ILE 16 HB ILE 16 1.124 1.564 -2.063 128 1HG1 ILE 16 2HG1 ILE 16 -0.055 1.024 -4.168 129 2HG1 ILE 16 1HG1 ILE 16 0.103 2.767 -3.965 130 1HG2 ILE 16 1HG2 ILE 16 3.037 2.891 -1.955 131 2HG2 ILE 16 2HG2 ILE 16 2.112 3.715 -3.211 132 3HG2 ILE 16 3HG2 ILE 16 3.434 2.636 -3.655 133 1HD1 ILE 16 1HD1 ILE 16 1.079 1.113 -6.111 134 2HD1 ILE 16 2HD1 ILE 16 2.441 1.905 -5.318 135 3HD1 ILE 16 3HD1 ILE 16 1.116 2.869 -5.971 136 H ASN 17 HN ASN 17 2.001 -0.189 -0.790 137 HA ASN 17 HA ASN 17 4.521 0.470 0.393 138 1HB ASN 17 HB2 ASN 17 1.948 -0.407 1.155 139 2HB ASN 17 HB1 ASN 17 3.062 -1.604 1.806 140 1HD2 ASN 17 1HD2 ASN 17 3.002 -0.915 4.028 141 2HD2 ASN 17 2HD2 ASN 17 3.553 0.608 4.530 142 H ARG 18 HN ARG 18 3.257 -2.609 -0.902 143 HA ARG 18 HA ARG 18 5.275 -4.367 0.065 144 1HB ARG 18 HB2 ARG 18 3.312 -4.257 -2.166 145 2HB ARG 18 HB1 ARG 18 4.642 -5.397 -2.375 146 1HG ARG 18 HG2 ARG 18 3.071 -5.285 0.199 147 2HG ARG 18 HG1 ARG 18 2.518 -6.251 -1.168 148 1HD ARG 18 HD2 ARG 18 3.874 -7.894 -0.357 149 2HD ARG 18 HD1 ARG 18 5.228 -6.911 -0.949 150 HE ARG 18 HE ARG 18 5.492 -5.990 1.273 151 1HH1 ARG 18 1HH1 ARG 18 2.568 -5.975 2.039 152 2HH1 ARG 18 2HH1 ARG 18 2.515 -7.206 3.258 153 1HH2 ARG 18 1HH2 ARG 18 5.590 -8.573 2.373 154 2HH2 ARG 18 2HH2 ARG 18 4.236 -8.683 3.448 155 H GLY 19 HN GLY 19 5.143 -2.735 -3.137 156 1HA GLY 19 HA2 GLY 19 7.832 -3.456 -3.873 157 2HA GLY 19 HA1 GLY 19 6.870 -2.188 -4.635 158 H LEU 20 HN LEU 20 6.404 -0.587 -2.328 159 HA LEU 20 HA LEU 20 8.694 1.093 -2.259 160 1HB LEU 20 HB2 LEU 20 6.457 1.850 -1.689 161 2HB LEU 20 HB1 LEU 20 6.356 0.690 -0.368 162 HG LEU 20 HG LEU 20 8.231 1.853 0.774 163 1HD1 LEU 20 1HD1 LEU 20 7.983 3.703 -1.611 164 2HD1 LEU 20 2HD1 LEU 20 9.413 2.811 -1.091 165 3HD1 LEU 20 3HD1 LEU 20 8.811 4.155 -0.121 166 1HD2 LEU 20 1HD2 LEU 20 5.815 3.502 -0.018 167 2HD2 LEU 20 2HD2 LEU 20 6.945 3.998 1.241 168 3HD2 LEU 20 3HD2 LEU 20 6.013 2.512 1.429 169 H LYS 21 HN LYS 21 7.650 -1.486 -0.054 170 HA LYS 21 HA LYS 21 9.725 -1.149 1.915 171 1HB LYS 21 HB2 LYS 21 7.562 -2.367 2.201 172 2HB LYS 21 HB1 LYS 21 8.147 -3.610 1.096 173 1HG LYS 21 HG2 LYS 21 10.126 -3.914 2.661 174 2HG LYS 21 HG1 LYS 21 9.274 -2.880 3.809 175 1HD LYS 21 HD2 LYS 21 7.363 -4.760 2.959 176 2HD LYS 21 HD1 LYS 21 8.843 -5.686 3.213 177 1HE LYS 21 HE2 LYS 21 7.938 -5.682 5.377 178 2HE LYS 21 HE1 LYS 21 8.977 -4.244 5.447 179 1HZ LYS 21 HZ1 LYS 21 7.076 -2.908 4.702 180 2HZ LYS 21 HZ2 LYS 21 6.753 -3.681 6.178 181 3HZ LYS 21 HZ3 LYS 21 6.087 -4.286 4.736 182 H LYS 22 HN LYS 22 9.427 -3.278 -0.927 183 HA LYS 22 HA LYS 22 11.842 -4.742 -0.655 184 1HB LYS 22 HB2 LYS 22 9.998 -5.206 -2.248 185 2HB LYS 22 HB1 LYS 22 10.416 -3.748 -3.148 186 1HG LYS 22 HG2 LYS 22 12.756 -5.426 -2.751 187 2HG LYS 22 HG1 LYS 22 11.464 -6.321 -3.551 188 1HD LYS 22 HD2 LYS 22 11.256 -4.566 -5.246 189 2HD LYS 22 HD1 LYS 22 12.486 -3.603 -4.428 190 1HE LYS 22 HE2 LYS 22 13.544 -6.244 -4.865 191 2HE LYS 22 HE1 LYS 22 12.903 -5.619 -6.398 192 1HZ LYS 22 HZ1 LYS 22 14.715 -4.152 -4.546 193 2HZ LYS 22 HZ2 LYS 22 14.077 -3.537 -5.998 194 3HZ LYS 22 HZ3 LYS 22 15.167 -4.839 -6.030 195 H ILE 23 HN ILE 23 11.261 -1.520 -2.005 196 HA ILE 23 HA ILE 23 13.943 -1.150 -3.054 197 HB ILE 23 HB ILE 23 11.683 0.736 -2.309 198 1HG1 ILE 23 2HG1 ILE 23 11.137 -0.805 -4.135 199 2HG1 ILE 23 1HG1 ILE 23 11.366 0.816 -4.784 200 1HG2 ILE 23 1HG2 ILE 23 14.363 1.238 -3.599 201 2HG2 ILE 23 2HG2 ILE 23 13.579 2.138 -2.301 202 3HG2 ILE 23 3HG2 ILE 23 12.981 2.273 -3.954 203 1HD1 ILE 23 1HD1 ILE 23 12.706 -0.306 -6.272 204 2HD1 ILE 23 2HD1 ILE 23 13.034 -1.621 -5.144 205 3HD1 ILE 23 3HD1 ILE 23 13.900 -0.092 -4.992 206 H VAL 24 HN VAL 24 12.273 -0.149 -0.069 207 HA VAL 24 HA VAL 24 14.473 1.268 1.115 208 HB VAL 24 HB VAL 24 12.103 -0.225 2.294 209 1HG1 VAL 24 1HG1 VAL 24 13.807 0.096 4.017 210 2HG1 VAL 24 2HG1 VAL 24 12.483 1.227 4.290 211 3HG1 VAL 24 3HG1 VAL 24 13.988 1.790 3.561 212 1HG2 VAL 24 1HG2 VAL 24 12.229 2.737 2.265 213 2HG2 VAL 24 2HG2 VAL 24 10.869 1.666 1.931 214 3HG2 VAL 24 3HG2 VAL 24 12.074 1.977 0.681 215 H LEU 25 HN LEU 25 13.468 -2.127 1.209 216 HA LEU 25 HA LEU 25 15.501 -2.997 3.101 217 1HB LEU 25 HB2 LEU 25 13.711 -4.384 1.079 218 2HB LEU 25 HB1 LEU 25 14.748 -5.262 2.198 219 HG LEU 25 HG LEU 25 12.553 -3.320 2.960 220 1HD1 LEU 25 1HD1 LEU 25 12.732 -6.301 3.464 221 2HD1 LEU 25 2HD1 LEU 25 11.875 -5.606 2.088 222 3HD1 LEU 25 3HD1 LEU 25 11.343 -5.249 3.731 223 1HD2 LEU 25 1HD2 LEU 25 13.084 -4.376 5.281 224 2HD2 LEU 25 2HD2 LEU 25 14.172 -3.129 4.672 225 3HD2 LEU 25 3HD2 LEU 25 14.626 -4.829 4.555 226 H GLY 26 HN GLY 26 15.150 -3.225 -0.454 227 1HA GLY 26 HA2 GLY 26 17.761 -4.438 -0.833 228 2HA GLY 26 HA1 GLY 26 16.736 -3.781 -2.108 229 H TRP 27 HN TRP 27 16.772 -1.415 -2.419 230 HA TRP 27 HA TRP 27 19.082 0.024 -1.210 231 1HB TRP 27 HB2 TRP 27 19.011 -1.223 -3.813 232 2HB TRP 27 HB1 TRP 27 19.142 0.524 -4.007 233 HD1 TRP 27 HD1 TRP 27 21.263 1.736 -2.908 234 HE1 TRP 27 HE1 TRP 27 23.591 0.835 -2.264 235 HE3 TRP 27 HE3 TRP 27 20.309 -3.281 -2.933 236 HZ2 TRP 27 HZ2 TRP 27 24.879 -1.680 -1.819 237 HZ3 TRP 27 HZ3 TRP 27 22.102 -4.906 -2.396 238 HH2 TRP 27 HH2 TRP 27 24.384 -4.112 -1.839 239 H ALA 28 HN ALA 28 18.485 2.126 -0.807 240 HA ALA 28 HA ALA 28 16.387 3.403 -2.511 241 1HB ALA 28 HB1 ALA 28 16.327 3.592 0.499 242 2HB ALA 28 HB2 ALA 28 15.589 2.215 -0.320 243 3HB ALA 28 HB3 ALA 28 15.012 3.849 -0.650 Start of MODEL 20 1 1H SER 1 HT1 SER 1 -14.017 12.399 2.918 2 2H SER 1 HT2 SER 1 -13.464 12.508 1.315 3 3H SER 1 HT3 SER 1 -12.774 11.377 2.380 4 HA SER 1 HA SER 1 -15.599 11.332 1.429 5 1HB SER 1 HB2 SER 1 -13.003 10.220 0.486 6 2HB SER 1 HB1 SER 1 -14.389 9.135 0.420 7 HG SER 1 HG SER 1 -14.039 10.515 -1.469 8 H GLY 2 HN GLY 2 -16.658 9.278 2.042 9 1HA GLY 2 HA2 GLY 2 -15.377 7.658 4.150 10 2HA GLY 2 HA1 GLY 2 -16.798 8.577 4.647 11 H ASN 3 HN ASN 3 -15.663 5.885 2.720 12 HA ASN 3 HA ASN 3 -18.397 4.760 2.671 13 1HB ASN 3 HB2 ASN 3 -17.890 6.377 0.665 14 2HB ASN 3 HB1 ASN 3 -16.912 5.041 0.062 15 1HD2 ASN 3 1HD2 ASN 3 -18.655 5.095 -1.735 16 2HD2 ASN 3 2HD2 ASN 3 -20.077 4.207 -1.468 17 H TYR 4 HN TYR 4 -18.242 2.533 1.421 18 HA TYR 4 HA TYR 4 -16.392 0.830 2.725 19 1HB TYR 4 HB2 TYR 4 -17.307 -0.857 1.294 20 2HB TYR 4 HB1 TYR 4 -18.599 0.317 1.521 21 HD1 TYR 4 HD1 TYR 4 -16.161 -1.085 -0.846 22 HD2 TYR 4 HD2 TYR 4 -19.253 1.848 -0.295 23 HE1 TYR 4 HE1 TYR 4 -16.275 -0.744 -3.298 24 HE2 TYR 4 HE2 TYR 4 -19.365 2.187 -2.747 25 HH TYR 4 HH TYR 4 -18.506 0.297 -4.906 26 H VAL 5 HN VAL 5 -16.068 2.594 -0.339 27 HA VAL 5 HA VAL 5 -13.768 1.179 -1.337 28 HB VAL 5 HB VAL 5 -15.354 2.719 -2.579 29 1HG1 VAL 5 1HG1 VAL 5 -13.645 4.930 -1.408 30 2HG1 VAL 5 2HG1 VAL 5 -15.254 4.533 -0.805 31 3HG1 VAL 5 3HG1 VAL 5 -15.049 5.101 -2.463 32 1HG2 VAL 5 1HG2 VAL 5 -13.395 3.885 -3.844 33 2HG2 VAL 5 2HG2 VAL 5 -13.437 2.121 -3.801 34 3HG2 VAL 5 3HG2 VAL 5 -12.358 3.004 -2.721 35 H LEU 6 HN LEU 6 -14.119 3.953 0.876 36 HA LEU 6 HA LEU 6 -11.370 4.752 0.995 37 1HB LEU 6 HB2 LEU 6 -13.492 5.874 1.914 38 2HB LEU 6 HB1 LEU 6 -13.378 4.752 3.269 39 HG LEU 6 HG LEU 6 -10.797 5.754 3.060 40 1HD1 LEU 6 1HD1 LEU 6 -11.229 7.549 1.616 41 2HD1 LEU 6 2HD1 LEU 6 -11.399 8.297 3.205 42 3HD1 LEU 6 3HD1 LEU 6 -12.834 7.832 2.291 43 1HD2 LEU 6 1HD2 LEU 6 -12.308 5.339 5.081 44 2HD2 LEU 6 2HD2 LEU 6 -12.977 6.946 4.792 45 3HD2 LEU 6 3HD2 LEU 6 -11.268 6.759 5.182 46 H ASP 7 HN ASP 7 -13.218 2.304 2.811 47 HA ASP 7 HA ASP 7 -11.018 1.503 4.527 48 1HB ASP 7 HB2 ASP 7 -13.791 0.972 4.153 49 2HB ASP 7 HB1 ASP 7 -12.959 -0.578 4.037 50 H LEU 8 HN LEU 8 -12.245 0.479 1.360 51 HA LEU 8 HA LEU 8 -10.584 -1.883 1.100 52 1HB LEU 8 HB2 LEU 8 -12.612 -0.437 -0.336 53 2HB LEU 8 HB1 LEU 8 -11.279 -0.789 -1.435 54 HG LEU 8 HG LEU 8 -11.542 -3.149 -0.004 55 1HD1 LEU 8 1HD1 LEU 8 -13.685 -2.232 0.932 56 2HD1 LEU 8 2HD1 LEU 8 -13.909 -3.704 -0.013 57 3HD1 LEU 8 3HD1 LEU 8 -14.314 -2.137 -0.712 58 1HD2 LEU 8 1HD2 LEU 8 -12.997 -2.554 -2.594 59 2HD2 LEU 8 2HD2 LEU 8 -12.248 -4.070 -2.096 60 3HD2 LEU 8 3HD2 LEU 8 -11.240 -2.683 -2.509 61 H ILE 9 HN ILE 9 -10.110 1.550 0.328 62 HA ILE 9 HA ILE 9 -7.931 1.463 -1.452 63 HB ILE 9 HB ILE 9 -8.712 3.259 0.847 64 1HG1 ILE 9 2HG1 ILE 9 -10.012 3.169 -1.328 65 2HG1 ILE 9 1HG1 ILE 9 -9.394 4.761 -0.903 66 1HG2 ILE 9 1HG2 ILE 9 -6.345 3.566 0.811 67 2HG2 ILE 9 2HG2 ILE 9 -7.010 4.896 -0.138 68 3HG2 ILE 9 3HG2 ILE 9 -6.292 3.506 -0.952 69 1HD1 ILE 9 1HD1 ILE 9 -8.956 3.365 -3.310 70 2HD1 ILE 9 2HD1 ILE 9 -7.423 3.295 -2.441 71 3HD1 ILE 9 3HD1 ILE 9 -8.168 4.855 -2.791 72 H TYR 10 HN TYR 10 -8.027 0.724 1.981 73 HA TYR 10 HA TYR 10 -5.292 0.783 2.691 74 1HB TYR 10 HB2 TYR 10 -6.180 -0.125 4.588 75 2HB TYR 10 HB1 TYR 10 -7.732 -0.059 3.768 76 HD1 TYR 10 HD1 TYR 10 -8.798 -2.071 2.924 77 HD2 TYR 10 HD2 TYR 10 -4.844 -2.226 4.595 78 HE1 TYR 10 HE1 TYR 10 -8.917 -4.542 2.971 79 HE2 TYR 10 HE2 TYR 10 -4.963 -4.702 4.642 80 HH TYR 10 HH TYR 10 -6.586 -6.488 3.034 81 H SER 11 HN SER 11 -7.134 -1.801 1.042 82 HA SER 11 HA SER 11 -4.891 -3.633 0.803 83 1HB SER 11 HB2 SER 11 -7.396 -4.131 0.727 84 2HB SER 11 HB1 SER 11 -7.406 -3.438 -0.892 85 HG SER 11 HG SER 11 -5.856 -5.019 -1.482 86 H LEU 12 HN LEU 12 -6.351 -1.136 -1.267 87 HA LEU 12 HA LEU 12 -4.796 -1.603 -3.629 88 1HB LEU 12 HB2 LEU 12 -6.636 0.366 -2.504 89 2HB LEU 12 HB1 LEU 12 -5.367 1.143 -3.446 90 HG LEU 12 HG LEU 12 -7.156 -1.110 -4.406 91 1HD1 LEU 12 1HD1 LEU 12 -8.175 0.559 -5.832 92 2HD1 LEU 12 2HD1 LEU 12 -7.017 1.781 -5.306 93 3HD1 LEU 12 3HD1 LEU 12 -8.220 1.162 -4.175 94 1HD2 LEU 12 1HD2 LEU 12 -5.015 -1.321 -5.484 95 2HD2 LEU 12 2HD2 LEU 12 -4.892 0.424 -5.716 96 3HD2 LEU 12 3HD2 LEU 12 -6.075 -0.507 -6.634 97 H HIS 13 HN HIS 13 -4.202 0.250 -0.682 98 HA HIS 13 HA HIS 13 -1.777 1.550 -1.606 99 1HB HIS 13 HB2 HIS 13 -3.481 2.057 0.351 100 2HB HIS 13 HB1 HIS 13 -2.422 0.992 1.277 101 HD1 HIS 13 HD1 HIS 13 0.050 1.771 1.635 102 HD2 HIS 13 HD2 HIS 13 -2.330 4.559 -0.346 103 HE1 HIS 13 HE1 HIS 13 1.344 3.945 1.638 104 H LYS 14 HN LYS 14 -2.515 -1.566 -0.124 105 HA LYS 14 HA LYS 14 0.048 -2.271 0.902 106 1HB LYS 14 HB2 LYS 14 -2.493 -3.487 0.305 107 2HB LYS 14 HB1 LYS 14 -1.207 -4.551 -0.265 108 1HG LYS 14 HG2 LYS 14 -1.654 -5.131 2.031 109 2HG LYS 14 HG1 LYS 14 -0.107 -4.282 1.994 110 1HD LYS 14 HD2 LYS 14 -1.165 -2.214 2.703 111 2HD LYS 14 HD1 LYS 14 -2.762 -2.952 2.595 112 1HE LYS 14 HE2 LYS 14 -2.564 -3.723 4.715 113 2HE LYS 14 HE1 LYS 14 -1.090 -4.603 4.267 114 1HZ LYS 14 HZ1 LYS 14 0.148 -2.510 4.461 115 2HZ LYS 14 HZ2 LYS 14 -0.579 -2.942 5.934 116 3HZ LYS 14 HZ3 LYS 14 -1.262 -1.718 4.975 117 H GLN 15 HN GLN 15 -1.235 -2.291 -2.378 118 HA GLN 15 HA GLN 15 0.847 -3.827 -3.634 119 1HB GLN 15 HB2 GLN 15 -1.243 -1.834 -4.462 120 2HB GLN 15 HB1 GLN 15 -0.020 -2.315 -5.638 121 1HG GLN 15 HG2 GLN 15 -1.659 -4.321 -4.068 122 2HG GLN 15 HG1 GLN 15 -2.148 -3.713 -5.650 123 1HE2 GLN 15 1HE2 GLN 15 0.049 -5.887 -4.000 124 2HE2 GLN 15 2HE2 GLN 15 0.802 -6.495 -5.393 125 H ILE 16 HN ILE 16 0.670 -0.516 -2.542 126 HA ILE 16 HA ILE 16 3.042 0.362 -4.054 127 HB ILE 16 HB ILE 16 1.157 1.557 -2.010 128 1HG1 ILE 16 2HG1 ILE 16 1.663 2.923 -4.561 129 2HG1 ILE 16 1HG1 ILE 16 1.030 1.290 -4.761 130 1HG2 ILE 16 1HG2 ILE 16 3.743 2.685 -3.092 131 2HG2 ILE 16 2HG2 ILE 16 3.205 2.599 -1.414 132 3HG2 ILE 16 3HG2 ILE 16 2.439 3.731 -2.528 133 1HD1 ILE 16 1HD1 ILE 16 -0.862 1.792 -3.318 134 2HD1 ILE 16 2HD1 ILE 16 -0.769 3.020 -4.580 135 3HD1 ILE 16 3HD1 ILE 16 -0.202 3.386 -2.952 136 H ASN 17 HN ASN 17 2.198 -0.733 -0.816 137 HA ASN 17 HA ASN 17 4.735 -0.051 0.438 138 1HB ASN 17 HB2 ASN 17 2.178 -0.863 1.191 139 2HB ASN 17 HB1 ASN 17 3.186 -2.249 1.607 140 1HD2 ASN 17 1HD2 ASN 17 2.635 1.192 2.290 141 2HD2 ASN 17 2HD2 ASN 17 3.616 1.251 3.673 142 H ARG 18 HN ARG 18 3.360 -3.021 -1.009 143 HA ARG 18 HA ARG 18 5.513 -4.789 -0.318 144 1HB ARG 18 HB2 ARG 18 4.525 -6.210 -2.079 145 2HB ARG 18 HB1 ARG 18 3.262 -5.482 -1.091 146 1HG ARG 18 HG2 ARG 18 2.344 -4.769 -3.024 147 2HG ARG 18 HG1 ARG 18 3.667 -3.609 -3.107 148 1HD ARG 18 HD2 ARG 18 5.009 -5.575 -4.199 149 2HD ARG 18 HD1 ARG 18 3.402 -6.263 -4.507 150 HE ARG 18 HE ARG 18 3.508 -3.451 -5.228 151 1HH1 ARG 18 1HH1 ARG 18 5.880 -4.659 -6.650 152 2HH1 ARG 18 2HH1 ARG 18 5.174 -5.174 -8.145 153 1HH2 ARG 18 1HH2 ARG 18 1.908 -4.976 -6.978 154 2HH2 ARG 18 2HH2 ARG 18 2.920 -5.353 -8.331 155 H GLY 19 HN GLY 19 5.184 -2.387 -2.874 156 1HA GLY 19 HA2 GLY 19 7.640 -3.364 -4.226 157 2HA GLY 19 HA1 GLY 19 6.570 -2.096 -4.827 158 H LEU 20 HN LEU 20 6.603 -0.997 -1.921 159 HA LEU 20 HA LEU 20 8.886 0.813 -2.329 160 1HB LEU 20 HB2 LEU 20 6.799 1.783 -1.679 161 2HB LEU 20 HB1 LEU 20 6.560 0.589 -0.407 162 HG LEU 20 HG LEU 20 8.479 1.516 0.835 163 1HD1 LEU 20 1HD1 LEU 20 8.688 3.188 -1.646 164 2HD1 LEU 20 2HD1 LEU 20 9.968 2.449 -0.686 165 3HD1 LEU 20 3HD1 LEU 20 9.161 3.905 -0.105 166 1HD2 LEU 20 1HD2 LEU 20 6.503 3.662 -0.004 167 2HD2 LEU 20 2HD2 LEU 20 7.424 3.620 1.500 168 3HD2 LEU 20 3HD2 LEU 20 6.179 2.410 1.194 169 H LYS 21 HN LYS 21 7.858 -1.680 -0.030 170 HA LYS 21 HA LYS 21 9.880 -1.368 1.943 171 1HB LYS 21 HB2 LYS 21 7.781 -2.756 2.024 172 2HB LYS 21 HB1 LYS 21 8.577 -3.924 0.969 173 1HG LYS 21 HG2 LYS 21 10.483 -3.843 2.774 174 2HG LYS 21 HG1 LYS 21 9.211 -3.214 3.819 175 1HD LYS 21 HD2 LYS 21 8.005 -5.373 2.529 176 2HD LYS 21 HD1 LYS 21 9.641 -5.940 2.865 177 1HE LYS 21 HE2 LYS 21 8.494 -6.483 4.856 178 2HE LYS 21 HE1 LYS 21 9.211 -4.909 5.255 179 1HZ LYS 21 HZ1 LYS 21 7.160 -3.848 4.444 180 2HZ LYS 21 HZ2 LYS 21 6.866 -4.875 5.765 181 3HZ LYS 21 HZ3 LYS 21 6.472 -5.378 4.192 182 H LYS 22 HN LYS 22 9.879 -3.356 -1.022 183 HA LYS 22 HA LYS 22 12.428 -4.591 -0.613 184 1HB LYS 22 HB2 LYS 22 12.257 -5.063 -3.046 185 2HB LYS 22 HB1 LYS 22 10.733 -5.370 -2.218 186 1HG LYS 22 HG2 LYS 22 9.754 -4.007 -3.725 187 2HG LYS 22 HG1 LYS 22 10.596 -2.669 -2.944 188 1HD LYS 22 HD2 LYS 22 11.587 -2.348 -4.956 189 2HD LYS 22 HD1 LYS 22 12.568 -3.753 -4.542 190 1HE LYS 22 HE2 LYS 22 10.798 -5.214 -5.601 191 2HE LYS 22 HE1 LYS 22 10.007 -3.732 -6.173 192 1HZ LYS 22 HZ1 LYS 22 11.550 -4.526 -7.840 193 2HZ LYS 22 HZ2 LYS 22 12.819 -4.541 -6.712 194 3HZ LYS 22 HZ3 LYS 22 12.121 -3.067 -7.192 195 H ILE 23 HN ILE 23 11.566 -1.401 -1.797 196 HA ILE 23 HA ILE 23 14.157 -0.802 -2.991 197 HB ILE 23 HB ILE 23 11.840 0.909 -2.024 198 1HG1 ILE 23 2HG1 ILE 23 11.288 -0.631 -3.878 199 2HG1 ILE 23 1HG1 ILE 23 11.284 1.043 -4.428 200 1HG2 ILE 23 1HG2 ILE 23 14.393 1.602 -3.466 201 2HG2 ILE 23 2HG2 ILE 23 13.643 2.417 -2.095 202 3HG2 ILE 23 3HG2 ILE 23 12.936 2.567 -3.703 203 1HD1 ILE 23 1HD1 ILE 23 13.514 -0.977 -4.814 204 2HD1 ILE 23 2HD1 ILE 23 13.627 0.727 -5.254 205 3HD1 ILE 23 3HD1 ILE 23 12.463 -0.318 -6.066 206 H VAL 24 HN VAL 24 12.611 -0.275 0.148 207 HA VAL 24 HA VAL 24 14.801 1.262 1.293 208 HB VAL 24 HB VAL 24 12.476 -0.279 2.503 209 1HG1 VAL 24 1HG1 VAL 24 14.264 1.847 3.725 210 2HG1 VAL 24 2HG1 VAL 24 14.270 0.136 4.149 211 3HG1 VAL 24 3HG1 VAL 24 12.852 1.125 4.497 212 1HG2 VAL 24 1HG2 VAL 24 11.409 1.944 2.635 213 2HG2 VAL 24 2HG2 VAL 24 11.809 1.545 0.965 214 3HG2 VAL 24 3HG2 VAL 24 12.820 2.672 1.870 215 H LEU 25 HN LEU 25 13.711 -2.119 1.510 216 HA LEU 25 HA LEU 25 15.804 -3.042 3.273 217 1HB LEU 25 HB2 LEU 25 14.014 -4.418 1.238 218 2HB LEU 25 HB1 LEU 25 15.025 -5.283 2.393 219 HG LEU 25 HG LEU 25 12.833 -3.310 3.090 220 1HD1 LEU 25 1HD1 LEU 25 11.977 -5.467 2.253 221 2HD1 LEU 25 2HD1 LEU 25 11.677 -5.308 3.985 222 3HD1 LEU 25 3HD1 LEU 25 12.998 -6.326 3.408 223 1HD2 LEU 25 1HD2 LEU 25 13.282 -4.321 5.427 224 2HD2 LEU 25 2HD2 LEU 25 14.462 -3.160 4.816 225 3HD2 LEU 25 3HD2 LEU 25 14.809 -4.888 4.750 226 H GLY 26 HN GLY 26 15.476 -2.862 -0.260 227 1HA GLY 26 HA2 GLY 26 17.808 -4.359 -0.950 228 2HA GLY 26 HA1 GLY 26 17.050 -3.143 -1.975 229 H TRP 27 HN TRP 27 17.457 -1.099 0.282 230 HA TRP 27 HA TRP 27 20.288 -0.460 -0.425 231 1HB TRP 27 HB2 TRP 27 17.785 1.028 0.223 232 2HB TRP 27 HB1 TRP 27 19.307 1.785 0.694 233 HD1 TRP 27 HD1 TRP 27 17.264 0.781 -2.337 234 HE1 TRP 27 HE1 TRP 27 18.341 1.782 -4.453 235 HE3 TRP 27 HE3 TRP 27 21.622 2.555 -0.352 236 HZ2 TRP 27 HZ2 TRP 27 20.736 3.154 -5.206 237 HZ3 TRP 27 HZ3 TRP 27 23.282 3.703 -1.790 238 HH2 TRP 27 HH2 TRP 27 22.845 4.004 -4.212 239 H ALA 28 HN ALA 28 18.081 -0.514 2.407 240 HA ALA 28 HA ALA 28 20.508 -0.591 4.177 241 1HB ALA 28 HB1 ALA 28 19.189 1.431 4.438 242 2HB ALA 28 HB2 ALA 28 18.917 0.417 5.855 243 3HB ALA 28 HB3 ALA 28 17.703 0.491 4.578 Start of MODEL 21 1 1H SER 1 HT1 SER 1 -16.216 10.453 -2.920 2 2H SER 1 HT2 SER 1 -16.977 8.995 -3.339 3 3H SER 1 HT3 SER 1 -15.571 9.486 -4.155 4 HA SER 1 HA SER 1 -15.009 7.750 -2.578 5 1HB SER 1 HB2 SER 1 -13.580 9.811 -3.114 6 2HB SER 1 HB1 SER 1 -14.121 10.468 -1.573 7 HG SER 1 HG SER 1 -12.322 9.385 -1.046 8 H GLY 2 HN GLY 2 -16.286 6.747 -1.029 9 1HA GLY 2 HA2 GLY 2 -17.223 8.416 1.272 10 2HA GLY 2 HA1 GLY 2 -18.103 7.011 0.670 11 H ASN 3 HN ASN 3 -18.000 5.807 2.582 12 HA ASN 3 HA ASN 3 -15.430 5.334 3.942 13 1HB ASN 3 HB2 ASN 3 -18.069 5.418 4.681 14 2HB ASN 3 HB1 ASN 3 -17.802 3.678 4.573 15 1HD2 ASN 3 1HD2 ASN 3 -15.461 3.079 5.637 16 2HD2 ASN 3 2HD2 ASN 3 -15.209 3.778 7.163 17 H TYR 4 HN TYR 4 -17.521 3.639 1.643 18 HA TYR 4 HA TYR 4 -16.460 0.997 1.937 19 1HB TYR 4 HB2 TYR 4 -18.540 1.476 0.785 20 2HB TYR 4 HB1 TYR 4 -17.709 2.496 -0.387 21 HD1 TYR 4 HD1 TYR 4 -17.741 -1.009 0.942 22 HD2 TYR 4 HD2 TYR 4 -16.931 1.572 -2.395 23 HE1 TYR 4 HE1 TYR 4 -17.311 -2.989 -0.486 24 HE2 TYR 4 HE2 TYR 4 -16.503 -0.408 -3.823 25 HH TYR 4 HH TYR 4 -17.475 -3.202 -3.426 26 H VAL 5 HN VAL 5 -15.649 3.474 -0.559 27 HA VAL 5 HA VAL 5 -13.475 1.989 -1.700 28 HB VAL 5 HB VAL 5 -12.903 4.150 -2.749 29 1HG1 VAL 5 1HG1 VAL 5 -14.865 4.360 -3.997 30 2HG1 VAL 5 2HG1 VAL 5 -15.905 4.122 -2.593 31 3HG1 VAL 5 3HG1 VAL 5 -15.050 2.751 -3.300 32 1HG2 VAL 5 1HG2 VAL 5 -14.737 5.234 -0.602 33 2HG2 VAL 5 2HG2 VAL 5 -14.410 6.131 -2.085 34 3HG2 VAL 5 3HG2 VAL 5 -13.090 5.732 -0.988 35 H LEU 6 HN LEU 6 -13.513 4.471 0.895 36 HA LEU 6 HA LEU 6 -10.700 4.728 1.265 37 1HB LEU 6 HB2 LEU 6 -13.193 5.317 2.672 38 2HB LEU 6 HB1 LEU 6 -11.910 4.872 3.797 39 HG LEU 6 HG LEU 6 -10.441 6.510 2.383 40 1HD1 LEU 6 1HD1 LEU 6 -12.519 6.683 0.749 41 2HD1 LEU 6 2HD1 LEU 6 -11.517 8.098 1.071 42 3HD1 LEU 6 3HD1 LEU 6 -13.057 7.898 1.908 43 1HD2 LEU 6 1HD2 LEU 6 -12.609 7.277 4.344 44 2HD2 LEU 6 2HD2 LEU 6 -11.449 8.461 3.744 45 3HD2 LEU 6 3HD2 LEU 6 -10.885 7.057 4.649 46 H ASP 7 HN ASP 7 -13.010 2.340 2.543 47 HA ASP 7 HA ASP 7 -11.148 0.917 4.231 48 1HB ASP 7 HB2 ASP 7 -13.869 0.893 3.604 49 2HB ASP 7 HB1 ASP 7 -13.292 -0.646 2.970 50 H LEU 8 HN LEU 8 -12.173 0.585 0.843 51 HA LEU 8 HA LEU 8 -10.687 -1.811 0.239 52 1HB LEU 8 HB2 LEU 8 -12.420 0.104 -1.025 53 2HB LEU 8 HB1 LEU 8 -11.030 -0.182 -2.069 54 HG LEU 8 HG LEU 8 -11.633 -2.725 -1.184 55 1HD1 LEU 8 1HD1 LEU 8 -14.232 -1.247 -1.720 56 2HD1 LEU 8 2HD1 LEU 8 -13.725 -1.881 -0.155 57 3HD1 LEU 8 3HD1 LEU 8 -14.062 -2.987 -1.486 58 1HD2 LEU 8 1HD2 LEU 8 -12.563 -3.032 -3.474 59 2HD2 LEU 8 2HD2 LEU 8 -11.077 -2.084 -3.490 60 3HD2 LEU 8 3HD2 LEU 8 -12.638 -1.281 -3.662 61 H ILE 9 HN ILE 9 -9.827 1.634 0.219 62 HA ILE 9 HA ILE 9 -7.496 1.649 -1.364 63 HB ILE 9 HB ILE 9 -8.230 3.037 1.229 64 1HG1 ILE 9 2HG1 ILE 9 -9.566 3.448 -0.891 65 2HG1 ILE 9 1HG1 ILE 9 -8.830 4.885 -0.188 66 1HG2 ILE 9 1HG2 ILE 9 -5.801 3.380 -0.529 67 2HG2 ILE 9 2HG2 ILE 9 -5.877 3.239 1.228 68 3HG2 ILE 9 3HG2 ILE 9 -6.426 4.717 0.438 69 1HD1 ILE 9 1HD1 ILE 9 -8.516 4.789 -2.652 70 2HD1 ILE 9 2HD1 ILE 9 -7.649 3.264 -2.467 71 3HD1 ILE 9 3HD1 ILE 9 -6.977 4.748 -1.792 72 H TYR 10 HN TYR 10 -8.011 0.260 1.817 73 HA TYR 10 HA TYR 10 -5.354 -0.077 2.743 74 1HB TYR 10 HB2 TYR 10 -6.480 -1.189 4.383 75 2HB TYR 10 HB1 TYR 10 -7.935 -0.758 3.503 76 HD1 TYR 10 HD1 TYR 10 -9.053 -2.416 2.020 77 HD2 TYR 10 HD2 TYR 10 -5.587 -3.446 4.340 78 HE1 TYR 10 HE1 TYR 10 -9.529 -4.817 1.662 79 HE2 TYR 10 HE2 TYR 10 -6.062 -5.851 3.975 80 HH TYR 10 HH TYR 10 -7.860 -7.049 1.691 81 H SER 11 HN SER 11 -7.230 -2.048 0.440 82 HA SER 11 HA SER 11 -5.195 -4.117 0.144 83 1HB SER 11 HB2 SER 11 -7.703 -4.277 -0.278 84 2HB SER 11 HB1 SER 11 -7.449 -3.316 -1.731 85 HG SER 11 HG SER 11 -6.689 -5.944 -1.134 86 H LEU 12 HN LEU 12 -6.140 -1.192 -1.659 87 HA LEU 12 HA LEU 12 -4.295 -1.465 -3.844 88 1HB LEU 12 HB2 LEU 12 -6.306 0.292 -2.921 89 2HB LEU 12 HB1 LEU 12 -4.849 1.276 -3.034 90 HG LEU 12 HG LEU 12 -6.139 1.273 -5.152 91 1HD1 LEU 12 1HD1 LEU 12 -3.707 1.585 -5.236 92 2HD1 LEU 12 2HD1 LEU 12 -4.248 0.662 -6.638 93 3HD1 LEU 12 3HD1 LEU 12 -3.469 -0.162 -5.287 94 1HD2 LEU 12 1HD2 LEU 12 -5.360 -1.620 -5.499 95 2HD2 LEU 12 2HD2 LEU 12 -6.564 -0.686 -6.387 96 3HD2 LEU 12 3HD2 LEU 12 -6.887 -1.187 -4.727 97 H HIS 13 HN HIS 13 -4.077 0.163 -0.696 98 HA HIS 13 HA HIS 13 -1.453 1.289 -1.057 99 1HB HIS 13 HB2 HIS 13 -3.447 1.588 0.721 100 2HB HIS 13 HB1 HIS 13 -2.445 0.464 1.638 101 HD1 HIS 13 HD1 HIS 13 0.098 1.233 2.048 102 HD2 HIS 13 HD2 HIS 13 -2.469 4.203 0.643 103 HE1 HIS 13 HE1 HIS 13 1.265 3.443 2.456 104 H LYS 14 HN LYS 14 -2.590 -1.873 0.091 105 HA LYS 14 HA LYS 14 -0.183 -2.831 1.272 106 1HB LYS 14 HB2 LYS 14 -2.413 -3.902 1.414 107 2HB LYS 14 HB1 LYS 14 -2.333 -4.289 -0.304 108 1HG LYS 14 HG2 LYS 14 -1.696 -6.226 1.129 109 2HG LYS 14 HG1 LYS 14 -0.382 -5.715 0.070 110 1HD LYS 14 HD2 LYS 14 0.773 -4.634 1.842 111 2HD LYS 14 HD1 LYS 14 -0.640 -4.678 2.897 112 1HE LYS 14 HE2 LYS 14 0.455 -7.290 1.898 113 2HE LYS 14 HE1 LYS 14 1.311 -6.458 3.211 114 1HZ LYS 14 HZ1 LYS 14 -0.394 -7.832 4.166 115 2HZ LYS 14 HZ2 LYS 14 -1.577 -7.172 3.142 116 3HZ LYS 14 HZ3 LYS 14 -0.860 -6.212 4.347 117 H GLN 15 HN GLN 15 -1.177 -2.606 -2.107 118 HA GLN 15 HA GLN 15 1.093 -4.160 -3.118 119 1HB GLN 15 HB2 GLN 15 -1.321 -3.662 -4.099 120 2HB GLN 15 HB1 GLN 15 -0.517 -2.242 -4.771 121 1HG GLN 15 HG2 GLN 15 0.938 -3.519 -6.084 122 2HG GLN 15 HG1 GLN 15 0.754 -4.950 -5.071 123 1HE2 GLN 15 1HE2 GLN 15 -1.863 -5.546 -4.986 124 2HE2 GLN 15 2HE2 GLN 15 -2.554 -5.671 -6.530 125 H ILE 16 HN ILE 16 0.403 -0.814 -2.384 126 HA ILE 16 HA ILE 16 2.725 0.250 -3.844 127 HB ILE 16 HB ILE 16 0.694 1.378 -1.888 128 1HG1 ILE 16 2HG1 ILE 16 1.039 2.056 -4.811 129 2HG1 ILE 16 1HG1 ILE 16 0.080 0.665 -4.306 130 1HG2 ILE 16 1HG2 ILE 16 2.976 2.728 -3.352 131 2HG2 ILE 16 2HG2 ILE 16 2.650 2.735 -1.619 132 3HG2 ILE 16 3HG2 ILE 16 1.590 3.617 -2.718 133 1HD1 ILE 16 1HD1 ILE 16 -0.483 3.566 -3.990 134 2HD1 ILE 16 2HD1 ILE 16 -0.947 2.525 -2.643 135 3HD1 ILE 16 3HD1 ILE 16 -1.598 2.225 -4.254 136 H ASN 17 HN ASN 17 1.797 -0.499 -0.516 137 HA ASN 17 HA ASN 17 4.201 0.515 0.742 138 1HB ASN 17 HB2 ASN 17 1.678 -0.461 1.464 139 2HB ASN 17 HB1 ASN 17 2.802 -1.637 2.138 140 1HD2 ASN 17 1HD2 ASN 17 2.905 1.968 1.763 141 2HD2 ASN 17 2HD2 ASN 17 3.308 2.263 3.386 142 H ARG 18 HN ARG 18 3.160 -2.757 -0.309 143 HA ARG 18 HA ARG 18 5.407 -4.201 0.706 144 1HB ARG 18 HB2 ARG 18 4.703 -5.911 -0.926 145 2HB ARG 18 HB1 ARG 18 3.302 -5.200 -0.133 146 1HG ARG 18 HG2 ARG 18 2.549 -5.010 -2.287 147 2HG ARG 18 HG1 ARG 18 3.509 -3.533 -2.253 148 1HD ARG 18 HD2 ARG 18 4.297 -4.582 -4.208 149 2HD ARG 18 HD1 ARG 18 5.473 -5.143 -3.004 150 HE ARG 18 HE ARG 18 3.190 -6.750 -4.050 151 1HH1 ARG 18 1HH1 ARG 18 6.116 -7.515 -4.314 152 2HH1 ARG 18 2HH1 ARG 18 6.273 -8.710 -3.071 153 1HH2 ARG 18 1HH2 ARG 18 3.321 -7.805 -1.471 154 2HH2 ARG 18 2HH2 ARG 18 4.684 -8.873 -1.450 155 H GLY 19 HN GLY 19 5.026 -2.325 -2.284 156 1HA GLY 19 HA2 GLY 19 7.589 -3.224 -3.382 157 2HA GLY 19 HA1 GLY 19 6.557 -1.959 -4.054 158 H LEU 20 HN LEU 20 6.338 -0.442 -1.583 159 HA LEU 20 HA LEU 20 8.532 1.341 -1.801 160 1HB LEU 20 HB2 LEU 20 6.269 1.765 -0.807 161 2HB LEU 20 HB1 LEU 20 6.729 0.782 0.579 162 HG LEU 20 HG LEU 20 6.982 3.301 0.870 163 1HD1 LEU 20 1HD1 LEU 20 8.648 2.961 2.391 164 2HD1 LEU 20 2HD1 LEU 20 9.697 2.159 1.223 165 3HD1 LEU 20 3HD1 LEU 20 8.369 1.271 1.971 166 1HD2 LEU 20 1HD2 LEU 20 8.767 4.443 -0.206 167 2HD2 LEU 20 2HD2 LEU 20 7.973 3.538 -1.494 168 3HD2 LEU 20 3HD2 LEU 20 9.478 2.941 -0.794 169 H LYS 21 HN LYS 21 7.901 -1.070 0.760 170 HA LYS 21 HA LYS 21 10.399 -0.710 2.106 171 1HB LYS 21 HB2 LYS 21 9.768 -2.853 3.207 172 2HB LYS 21 HB1 LYS 21 8.415 -1.730 3.128 173 1HG LYS 21 HG2 LYS 21 7.269 -3.470 2.230 174 2HG LYS 21 HG1 LYS 21 8.155 -3.101 0.752 175 1HD LYS 21 HD2 LYS 21 9.287 -5.042 0.869 176 2HD LYS 21 HD1 LYS 21 9.796 -4.699 2.522 177 1HE LYS 21 HE2 LYS 21 7.023 -5.356 2.638 178 2HE LYS 21 HE1 LYS 21 7.817 -6.589 1.640 179 1HZ LYS 21 HZ1 LYS 21 9.536 -6.802 3.334 180 2HZ LYS 21 HZ2 LYS 21 8.005 -7.134 3.992 181 3HZ LYS 21 HZ3 LYS 21 8.758 -5.642 4.299 182 H LYS 22 HN LYS 22 9.491 -2.691 -0.654 183 HA LYS 22 HA LYS 22 11.794 -4.436 -0.663 184 1HB LYS 22 HB2 LYS 22 9.852 -5.081 -1.879 185 2HB LYS 22 HB1 LYS 22 9.730 -3.512 -2.669 186 1HG LYS 22 HG2 LYS 22 12.290 -4.785 -3.231 187 2HG LYS 22 HG1 LYS 22 10.938 -5.807 -3.719 188 1HD LYS 22 HD2 LYS 22 10.307 -4.394 -5.383 189 2HD LYS 22 HD1 LYS 22 10.599 -2.959 -4.400 190 1HE LYS 22 HE2 LYS 22 13.008 -3.109 -4.822 191 2HE LYS 22 HE1 LYS 22 12.775 -4.613 -5.735 192 1HZ LYS 22 HZ1 LYS 22 12.833 -2.524 -7.114 193 2HZ LYS 22 HZ2 LYS 22 11.357 -2.088 -6.395 194 3HZ LYS 22 HZ3 LYS 22 11.462 -3.499 -7.338 195 H ILE 23 HN ILE 23 11.126 -1.252 -2.066 196 HA ILE 23 HA ILE 23 13.475 -1.033 -3.707 197 HB ILE 23 HB ILE 23 11.668 0.978 -2.325 198 1HG1 ILE 23 2HG1 ILE 23 11.814 0.461 -5.282 199 2HG1 ILE 23 1HG1 ILE 23 10.934 -0.672 -4.256 200 1HG2 ILE 23 1HG2 ILE 23 12.638 2.560 -4.101 201 2HG2 ILE 23 2HG2 ILE 23 13.938 1.383 -4.284 202 3HG2 ILE 23 3HG2 ILE 23 13.686 2.182 -2.733 203 1HD1 ILE 23 1HD1 ILE 23 9.572 1.183 -3.367 204 2HD1 ILE 23 2HD1 ILE 23 9.428 1.082 -5.121 205 3HD1 ILE 23 3HD1 ILE 23 10.450 2.320 -4.390 206 H VAL 24 HN VAL 24 12.803 -0.070 -0.347 207 HA VAL 24 HA VAL 24 15.506 0.951 0.112 208 HB VAL 24 HB VAL 24 13.162 0.275 1.923 209 1HG1 VAL 24 1HG1 VAL 24 15.889 1.397 2.479 210 2HG1 VAL 24 2HG1 VAL 24 14.923 0.280 3.443 211 3HG1 VAL 24 3HG1 VAL 24 14.515 1.995 3.412 212 1HG2 VAL 24 1HG2 VAL 24 14.214 2.912 0.842 213 2HG2 VAL 24 2HG2 VAL 24 12.861 2.735 1.960 214 3HG2 VAL 24 3HG2 VAL 24 12.737 2.102 0.320 215 H LEU 25 HN LEU 25 13.787 -2.076 0.584 216 HA LEU 25 HA LEU 25 15.637 -3.376 2.358 217 1HB LEU 25 HB2 LEU 25 13.405 -4.209 2.066 218 2HB LEU 25 HB1 LEU 25 13.595 -4.296 0.316 219 HG LEU 25 HG LEU 25 15.337 -6.052 0.626 220 1HD1 LEU 25 1HD1 LEU 25 16.187 -5.612 2.807 221 2HD1 LEU 25 2HD1 LEU 25 15.315 -7.138 2.958 222 3HD1 LEU 25 3HD1 LEU 25 14.576 -5.639 3.523 223 1HD2 LEU 25 1HD2 LEU 25 13.789 -7.833 1.108 224 2HD2 LEU 25 2HD2 LEU 25 12.870 -6.555 0.312 225 3HD2 LEU 25 3HD2 LEU 25 12.763 -6.759 2.060 226 H GLY 26 HN GLY 26 15.355 -3.376 -1.221 227 1HA GLY 26 HA2 GLY 26 17.977 -4.787 -1.380 228 2HA GLY 26 HA1 GLY 26 16.820 -4.637 -2.704 229 H TRP 27 HN TRP 27 16.499 -2.412 -3.589 230 HA TRP 27 HA TRP 27 18.417 -0.307 -2.995 231 1HB TRP 27 HB2 TRP 27 19.714 -0.532 -5.086 232 2HB TRP 27 HB1 TRP 27 19.860 -1.990 -4.109 233 HD1 TRP 27 HD1 TRP 27 18.622 -4.185 -4.960 234 HE1 TRP 27 HE1 TRP 27 17.721 -4.864 -7.278 235 HE3 TRP 27 HE3 TRP 27 18.608 0.369 -7.270 236 HZ2 TRP 27 HZ2 TRP 27 17.080 -3.637 -9.783 237 HZ3 TRP 27 HZ3 TRP 27 17.849 0.585 -9.618 238 HH2 TRP 27 HH2 TRP 27 17.085 -1.410 -10.877 239 H ALA 28 HN ALA 28 18.151 1.539 -4.550 240 HA ALA 28 HA ALA 28 15.435 1.498 -5.830 241 1HB ALA 28 HB1 ALA 28 17.052 3.783 -4.650 242 2HB ALA 28 HB2 ALA 28 15.738 2.940 -3.828 243 3HB ALA 28 HB3 ALA 28 15.405 3.898 -5.271 Start of MODEL 22 1 1H SER 1 HT1 SER 1 -22.854 -0.109 4.159 2 2H SER 1 HT2 SER 1 -21.661 0.138 2.975 3 3H SER 1 HT3 SER 1 -22.791 -1.116 2.795 4 HA SER 1 HA SER 1 -23.704 0.443 1.393 5 1HB SER 1 HB2 SER 1 -25.479 1.606 2.942 6 2HB SER 1 HB1 SER 1 -25.456 -0.150 2.832 7 HG SER 1 HG SER 1 -25.513 0.522 4.999 8 H GLY 2 HN GLY 2 -22.483 2.106 4.330 9 1HA GLY 2 HA2 GLY 2 -22.541 4.717 2.985 10 2HA GLY 2 HA1 GLY 2 -21.947 4.402 4.617 11 H ASN 3 HN ASN 3 -19.789 3.442 4.830 12 HA ASN 3 HA ASN 3 -17.948 4.434 2.738 13 1HB ASN 3 HB2 ASN 3 -16.255 4.011 4.459 14 2HB ASN 3 HB1 ASN 3 -17.624 4.857 5.176 15 1HD2 ASN 3 1HD2 ASN 3 -15.741 1.934 5.300 16 2HD2 ASN 3 2HD2 ASN 3 -16.655 1.153 6.497 17 H TYR 4 HN TYR 4 -16.309 3.050 1.785 18 HA TYR 4 HA TYR 4 -16.383 0.147 2.133 19 1HB TYR 4 HB2 TYR 4 -18.445 0.491 0.869 20 2HB TYR 4 HB1 TYR 4 -17.591 1.478 -0.316 21 HD1 TYR 4 HD1 TYR 4 -16.839 0.464 -2.273 22 HD2 TYR 4 HD2 TYR 4 -17.402 -1.933 1.247 23 HE1 TYR 4 HE1 TYR 4 -16.274 -1.573 -3.569 24 HE2 TYR 4 HE2 TYR 4 -16.838 -3.969 -0.049 25 HH TYR 4 HH TYR 4 -17.022 -4.393 -2.975 26 H VAL 5 HN VAL 5 -15.752 2.338 -0.640 27 HA VAL 5 HA VAL 5 -13.351 1.095 -1.504 28 HB VAL 5 HB VAL 5 -14.555 3.855 -1.768 29 1HG1 VAL 5 1HG1 VAL 5 -12.838 4.177 -3.620 30 2HG1 VAL 5 2HG1 VAL 5 -11.956 2.818 -2.924 31 3HG1 VAL 5 3HG1 VAL 5 -12.202 4.285 -1.978 32 1HG2 VAL 5 1HG2 VAL 5 -14.122 1.524 -3.662 33 2HG2 VAL 5 2HG2 VAL 5 -14.860 3.062 -4.111 34 3HG2 VAL 5 3HG2 VAL 5 -15.656 2.009 -2.942 35 H LEU 6 HN LEU 6 -13.793 3.887 0.722 36 HA LEU 6 HA LEU 6 -11.098 4.583 1.157 37 1HB LEU 6 HB2 LEU 6 -13.241 5.639 2.062 38 2HB LEU 6 HB1 LEU 6 -13.247 4.375 3.292 39 HG LEU 6 HG LEU 6 -10.844 5.116 3.831 40 1HD1 LEU 6 1HD1 LEU 6 -11.788 7.387 2.070 41 2HD1 LEU 6 2HD1 LEU 6 -10.306 6.444 1.921 42 3HD1 LEU 6 3HD1 LEU 6 -10.496 7.583 3.254 43 1HD2 LEU 6 1HD2 LEU 6 -13.087 7.105 4.312 44 2HD2 LEU 6 2HD2 LEU 6 -11.638 6.904 5.298 45 3HD2 LEU 6 3HD2 LEU 6 -12.847 5.621 5.236 46 H ASP 7 HN ASP 7 -12.975 1.902 2.535 47 HA ASP 7 HA ASP 7 -10.885 0.972 4.334 48 1HB ASP 7 HB2 ASP 7 -13.516 0.549 4.139 49 2HB ASP 7 HB1 ASP 7 -12.993 -0.801 3.135 50 H LEU 8 HN LEU 8 -12.110 -0.089 1.151 51 HA LEU 8 HA LEU 8 -10.253 -2.178 0.644 52 1HB LEU 8 HB2 LEU 8 -12.269 -0.613 -0.730 53 2HB LEU 8 HB1 LEU 8 -10.908 -0.943 -1.803 54 HG LEU 8 HG LEU 8 -11.202 -3.367 -0.573 55 1HD1 LEU 8 1HD1 LEU 8 -13.989 -2.237 -0.986 56 2HD1 LEU 8 2HD1 LEU 8 -13.253 -2.552 0.585 57 3HD1 LEU 8 3HD1 LEU 8 -13.594 -3.889 -0.513 58 1HD2 LEU 8 1HD2 LEU 8 -12.637 -2.373 -3.061 59 2HD2 LEU 8 2HD2 LEU 8 -12.312 -4.064 -2.679 60 3HD2 LEU 8 3HD2 LEU 8 -10.975 -2.958 -2.995 61 H ILE 9 HN ILE 9 -9.935 1.337 0.159 62 HA ILE 9 HA ILE 9 -7.686 1.506 -1.518 63 HB ILE 9 HB ILE 9 -8.570 3.061 0.927 64 1HG1 ILE 9 2HG1 ILE 9 -8.506 3.838 -2.001 65 2HG1 ILE 9 1HG1 ILE 9 -9.901 3.083 -1.237 66 1HG2 ILE 9 1HG2 ILE 9 -6.246 3.535 0.898 67 2HG2 ILE 9 2HG2 ILE 9 -6.968 4.856 -0.019 68 3HG2 ILE 9 3HG2 ILE 9 -6.180 3.524 -0.864 69 1HD1 ILE 9 1HD1 ILE 9 -9.343 5.107 0.527 70 2HD1 ILE 9 2HD1 ILE 9 -10.529 5.219 -0.774 71 3HD1 ILE 9 3HD1 ILE 9 -8.899 5.847 -1.011 72 H TYR 10 HN TYR 10 -7.846 0.474 1.848 73 HA TYR 10 HA TYR 10 -5.121 0.600 2.609 74 1HB TYR 10 HB2 TYR 10 -5.967 -0.491 4.432 75 2HB TYR 10 HB1 TYR 10 -7.524 -0.366 3.630 76 HD1 TYR 10 HD1 TYR 10 -4.563 -2.568 4.108 77 HD2 TYR 10 HD2 TYR 10 -8.638 -2.318 2.770 78 HE1 TYR 10 HE1 TYR 10 -4.659 -5.037 3.931 79 HE2 TYR 10 HE2 TYR 10 -8.732 -4.785 2.594 80 HH TYR 10 HH TYR 10 -6.399 -6.689 2.287 81 H SER 11 HN SER 11 -6.860 -1.930 0.776 82 HA SER 11 HA SER 11 -4.603 -3.712 0.468 83 1HB SER 11 HB2 SER 11 -7.096 -4.193 0.206 84 2HB SER 11 HB1 SER 11 -7.020 -3.350 -1.338 85 HG SER 11 HG SER 11 -5.623 -4.890 -2.095 86 H LEU 12 HN LEU 12 -5.976 -1.069 -1.481 87 HA LEU 12 HA LEU 12 -4.267 -1.299 -3.767 88 1HB LEU 12 HB2 LEU 12 -6.203 0.539 -2.579 89 2HB LEU 12 HB1 LEU 12 -4.900 1.411 -3.380 90 HG LEU 12 HG LEU 12 -6.556 -0.796 -4.638 91 1HD1 LEU 12 1HD1 LEU 12 -7.810 1.316 -4.255 92 2HD1 LEU 12 2HD1 LEU 12 -7.555 0.998 -5.970 93 3HD1 LEU 12 3HD1 LEU 12 -6.563 2.196 -5.139 94 1HD2 LEU 12 1HD2 LEU 12 -5.424 0.110 -6.739 95 2HD2 LEU 12 2HD2 LEU 12 -4.371 -0.779 -5.638 96 3HD2 LEU 12 3HD2 LEU 12 -4.329 0.983 -5.667 97 H HIS 13 HN HIS 13 -3.995 0.583 -0.764 98 HA HIS 13 HA HIS 13 -1.437 1.790 -1.397 99 1HB HIS 13 HB2 HIS 13 -3.366 2.337 0.357 100 2HB HIS 13 HB1 HIS 13 -2.394 1.304 1.405 101 HD1 HIS 13 HD1 HIS 13 -0.117 2.181 2.185 102 HD2 HIS 13 HD2 HIS 13 -2.022 4.755 -0.484 103 HE1 HIS 13 HE1 HIS 13 1.198 4.345 2.215 104 H LYS 14 HN LYS 14 -2.437 -1.113 0.411 105 HA LYS 14 HA LYS 14 0.058 -1.870 1.527 106 1HB LYS 14 HB2 LYS 14 -2.055 -2.927 2.102 107 2HB LYS 14 HB1 LYS 14 -2.283 -3.467 0.440 108 1HG LYS 14 HG2 LYS 14 0.263 -4.325 1.670 109 2HG LYS 14 HG1 LYS 14 -1.181 -5.007 2.415 110 1HD LYS 14 HD2 LYS 14 -1.810 -5.283 -0.222 111 2HD LYS 14 HD1 LYS 14 -0.058 -5.466 -0.286 112 1HE LYS 14 HE2 LYS 14 -1.265 -6.951 1.946 113 2HE LYS 14 HE1 LYS 14 -1.832 -7.495 0.356 114 1HZ LYS 14 HZ1 LYS 14 0.987 -7.171 1.234 115 2HZ LYS 14 HZ2 LYS 14 0.529 -7.464 -0.376 116 3HZ LYS 14 HZ3 LYS 14 0.208 -8.621 0.828 117 H GLN 15 HN GLN 15 -1.212 -2.254 -1.748 118 HA GLN 15 HA GLN 15 0.874 -4.025 -2.718 119 1HB GLN 15 HB2 GLN 15 -1.473 -3.550 -3.662 120 2HB GLN 15 HB1 GLN 15 -0.793 -2.056 -4.308 121 1HG GLN 15 HG2 GLN 15 0.993 -3.476 -5.422 122 2HG GLN 15 HG1 GLN 15 0.053 -4.893 -4.954 123 1HE2 GLN 15 1HE2 GLN 15 0.300 -2.328 -7.287 124 2HE2 GLN 15 2HE2 GLN 15 -1.119 -2.691 -8.143 125 H ILE 16 HN ILE 16 0.342 -0.514 -2.790 126 HA ILE 16 HA ILE 16 2.731 0.190 -4.239 127 HB ILE 16 HB ILE 16 0.993 1.659 -2.224 128 1HG1 ILE 16 2HG1 ILE 16 -0.110 0.890 -4.342 129 2HG1 ILE 16 1HG1 ILE 16 -0.063 2.645 -4.188 130 1HG2 ILE 16 1HG2 ILE 16 2.030 3.675 -3.593 131 2HG2 ILE 16 2HG2 ILE 16 3.354 2.538 -3.850 132 3HG2 ILE 16 3HG2 ILE 16 2.891 2.996 -2.211 133 1HD1 ILE 16 1HD1 ILE 16 2.336 1.647 -5.493 134 2HD1 ILE 16 2HD1 ILE 16 1.178 2.851 -6.057 135 3HD1 ILE 16 3HD1 ILE 16 0.882 1.138 -6.352 136 H ASN 17 HN ASN 17 1.970 -0.236 -0.814 137 HA ASN 17 HA ASN 17 4.522 0.613 0.249 138 1HB ASN 17 HB2 ASN 17 1.970 -0.342 1.137 139 2HB ASN 17 HB1 ASN 17 3.208 -1.336 1.902 140 1HD2 ASN 17 1HD2 ASN 17 2.955 -0.347 4.017 141 2HD2 ASN 17 2HD2 ASN 17 3.422 1.258 4.317 142 H ARG 18 HN ARG 18 3.186 -2.539 -0.764 143 HA ARG 18 HA ARG 18 5.213 -4.278 0.170 144 1HB ARG 18 HB2 ARG 18 3.069 -4.956 -0.852 145 2HB ARG 18 HB1 ARG 18 3.602 -4.325 -2.408 146 1HG ARG 18 HG2 ARG 18 4.039 -6.643 -2.553 147 2HG ARG 18 HG1 ARG 18 5.605 -5.937 -2.163 148 1HD ARG 18 HD2 ARG 18 5.582 -6.751 0.023 149 2HD ARG 18 HD1 ARG 18 3.809 -6.809 0.088 150 HE ARG 18 HE ARG 18 4.512 -8.595 -1.949 151 1HH1 ARG 18 1HH2 ARG 18 3.418 -8.962 1.032 152 2HH1 ARG 18 2HH2 ARG 18 4.411 -10.297 1.510 153 1HH2 ARG 18 1HH1 ARG 18 6.583 -9.992 -1.187 154 2HH2 ARG 18 2HH1 ARG 18 6.206 -10.886 0.248 155 H GLY 19 HN GLY 19 5.079 -2.401 -2.881 156 1HA GLY 19 HA2 GLY 19 7.718 -3.327 -3.741 157 2HA GLY 19 HA1 GLY 19 6.755 -2.067 -4.519 158 H LEU 20 HN LEU 20 6.349 -0.438 -2.199 159 HA LEU 20 HA LEU 20 8.642 1.247 -2.233 160 1HB LEU 20 HB2 LEU 20 6.418 2.023 -1.649 161 2HB LEU 20 HB1 LEU 20 6.332 0.896 -0.297 162 HG LEU 20 HG LEU 20 8.257 2.085 0.763 163 1HD1 LEU 20 1HD1 LEU 20 8.657 4.441 -0.208 164 2HD1 LEU 20 2HD1 LEU 20 7.911 3.825 -1.683 165 3HD1 LEU 20 3HD1 LEU 20 9.390 3.086 -1.067 166 1HD2 LEU 20 1HD2 LEU 20 6.954 3.938 1.561 167 2HD2 LEU 20 2HD2 LEU 20 5.809 2.649 1.190 168 3HD2 LEU 20 3HD2 LEU 20 6.012 3.998 0.072 169 H LYS 21 HN LYS 21 7.572 -1.100 0.244 170 HA LYS 21 HA LYS 21 9.867 -0.700 1.959 171 1HB LYS 21 HB2 LYS 21 8.957 -2.614 3.159 172 2HB LYS 21 HB1 LYS 21 7.621 -1.594 2.632 173 1HG LYS 21 HG2 LYS 21 6.726 -3.331 1.522 174 2HG LYS 21 HG1 LYS 21 8.180 -3.454 0.535 175 1HD LYS 21 HD2 LYS 21 8.508 -4.533 3.253 176 2HD LYS 21 HD1 LYS 21 7.299 -5.386 2.294 177 1HE LYS 21 HE2 LYS 21 10.032 -4.748 1.157 178 2HE LYS 21 HE1 LYS 21 9.731 -6.228 2.084 179 1HZ LYS 21 HZ1 LYS 21 9.325 -6.537 -0.308 180 2HZ LYS 21 HZ2 LYS 21 8.126 -5.334 -0.259 181 3HZ LYS 21 HZ3 LYS 21 7.922 -6.783 0.611 182 H LYS 22 HN LYS 22 9.357 -2.593 -0.916 183 HA LYS 22 HA LYS 22 11.493 -4.521 -0.460 184 1HB LYS 22 HB2 LYS 22 9.468 -4.775 -1.960 185 2HB LYS 22 HB1 LYS 22 10.208 -3.604 -3.050 186 1HG LYS 22 HG2 LYS 22 11.976 -5.831 -2.230 187 2HG LYS 22 HG1 LYS 22 10.596 -6.303 -3.224 188 1HD LYS 22 HD2 LYS 22 11.830 -3.878 -4.247 189 2HD LYS 22 HD1 LYS 22 13.009 -5.183 -4.128 190 1HE LYS 22 HE2 LYS 22 12.129 -5.700 -6.209 191 2HE LYS 22 HE1 LYS 22 10.949 -6.569 -5.209 192 1HZ LYS 22 HZ1 LYS 22 10.698 -3.751 -6.135 193 2HZ LYS 22 HZ2 LYS 22 9.580 -4.568 -5.150 194 3HZ LYS 22 HZ3 LYS 22 9.831 -5.070 -6.752 195 H ILE 23 HN ILE 23 11.182 -1.458 -2.240 196 HA ILE 23 HA ILE 23 13.757 -1.391 -3.457 197 HB ILE 23 HB ILE 23 11.886 0.768 -2.424 198 1HG1 ILE 23 2HG1 ILE 23 12.374 0.222 -5.318 199 2HG1 ILE 23 1HG1 ILE 23 11.443 -0.980 -4.426 200 1HG2 ILE 23 1HG2 ILE 23 14.485 0.941 -3.937 201 2HG2 ILE 23 2HG2 ILE 23 13.904 1.948 -2.610 202 3HG2 ILE 23 3HG2 ILE 23 13.218 2.135 -4.224 203 1HD1 ILE 23 1HD1 ILE 23 9.946 0.708 -5.401 204 2HD1 ILE 23 2HD1 ILE 23 10.831 1.986 -4.568 205 3HD1 ILE 23 3HD1 ILE 23 9.914 0.801 -3.640 206 H VAL 24 HN VAL 24 12.665 -0.321 -0.253 207 HA VAL 24 HA VAL 24 15.319 0.611 0.569 208 HB VAL 24 HB VAL 24 12.826 0.000 2.198 209 1HG1 VAL 24 1HG1 VAL 24 15.220 1.795 2.706 210 2HG1 VAL 24 2HG1 VAL 24 14.836 0.301 3.562 211 3HG1 VAL 24 3HG1 VAL 24 13.789 1.710 3.733 212 1HG2 VAL 24 1HG2 VAL 24 13.611 2.347 0.490 213 2HG2 VAL 24 2HG2 VAL 24 12.666 2.625 1.952 214 3HG2 VAL 24 3HG2 VAL 24 12.032 1.586 0.677 215 H LEU 25 HN LEU 25 13.355 -2.294 0.941 216 HA LEU 25 HA LEU 25 14.898 -3.644 2.943 217 1HB LEU 25 HB2 LEU 25 12.682 -4.372 2.384 218 2HB LEU 25 HB1 LEU 25 13.087 -4.516 0.675 219 HG LEU 25 HG LEU 25 14.660 -6.359 1.225 220 1HD1 LEU 25 1HD1 LEU 25 13.558 -5.931 4.018 221 2HD1 LEU 25 2HD1 LEU 25 15.240 -5.778 3.507 222 3HD1 LEU 25 3HD1 LEU 25 14.464 -7.361 3.528 223 1HD2 LEU 25 1HD2 LEU 25 11.913 -6.873 2.396 224 2HD2 LEU 25 2HD2 LEU 25 12.968 -8.034 1.592 225 3HD2 LEU 25 3HD2 LEU 25 12.216 -6.737 0.664 226 H GLY 26 HN GLY 26 15.136 -3.621 -0.628 227 1HA GLY 26 HA2 GLY 26 17.319 -5.538 -0.705 228 2HA GLY 26 HA1 GLY 26 16.785 -4.527 -2.050 229 H TRP 27 HN TRP 27 17.430 -2.172 -1.904 230 HA TRP 27 HA TRP 27 19.896 -1.688 -0.295 231 1HB TRP 27 HB2 TRP 27 19.690 -2.245 -3.149 232 2HB TRP 27 HB1 TRP 27 20.418 -0.665 -2.862 233 HD1 TRP 27 HD1 TRP 27 20.949 -4.385 -2.193 234 HE1 TRP 27 HE1 TRP 27 23.394 -4.761 -1.469 235 HE3 TRP 27 HE3 TRP 27 22.499 0.463 -1.765 236 HZ2 TRP 27 HZ2 TRP 27 25.703 -3.212 -0.799 237 HZ3 TRP 27 HZ3 TRP 27 24.825 0.984 -1.083 238 HH2 TRP 27 HH2 TRP 27 26.427 -0.847 -0.600 239 H ALA 28 HN ALA 28 19.537 0.249 0.717 240 HA ALA 28 HA ALA 28 17.903 2.327 -0.710 241 1HB ALA 28 HB1 ALA 28 18.300 2.249 2.264 242 2HB ALA 28 HB2 ALA 28 17.210 1.076 1.526 243 3HB ALA 28 HB3 ALA 28 16.904 2.802 1.341 Start of MODEL 23 1 1H SER 1 HT1 SER 1 -18.300 11.868 -1.356 2 2H SER 1 HT2 SER 1 -17.054 12.658 -0.515 3 3H SER 1 HT3 SER 1 -18.183 11.708 0.328 4 HA SER 1 HA SER 1 -16.062 10.767 -1.534 5 1HB SER 1 HB2 SER 1 -15.437 9.545 0.589 6 2HB SER 1 HB1 SER 1 -15.340 11.298 0.721 7 HG SER 1 HG SER 1 -16.723 9.663 2.225 8 H GLY 2 HN GLY 2 -16.007 8.176 -1.052 9 1HA GLY 2 HA2 GLY 2 -18.576 7.174 -2.066 10 2HA GLY 2 HA1 GLY 2 -17.093 6.235 -1.888 11 H ASN 3 HN ASN 3 -17.445 4.597 -0.468 12 HA ASN 3 HA ASN 3 -18.463 5.206 2.238 13 1HB ASN 3 HB2 ASN 3 -20.165 4.333 0.135 14 2HB ASN 3 HB1 ASN 3 -19.951 2.954 1.212 15 1HD2 ASN 3 1HD2 ASN 3 -21.231 6.250 1.010 16 2HD2 ASN 3 2HD2 ASN 3 -22.040 6.213 2.501 17 H TYR 4 HN TYR 4 -17.915 2.400 0.055 18 HA TYR 4 HA TYR 4 -16.418 1.056 2.268 19 1HB TYR 4 HB2 TYR 4 -17.025 -0.981 1.176 20 2HB TYR 4 HB1 TYR 4 -18.458 0.039 1.093 21 HD1 TYR 4 HD1 TYR 4 -19.181 1.038 -1.030 22 HD2 TYR 4 HD2 TYR 4 -15.681 -1.445 -0.815 23 HE1 TYR 4 HE1 TYR 4 -19.162 0.849 -3.503 24 HE2 TYR 4 HE2 TYR 4 -15.661 -1.631 -3.286 25 HH TYR 4 HH TYR 4 -16.576 -0.132 -5.251 26 H VAL 5 HN VAL 5 -15.982 2.504 -0.884 27 HA VAL 5 HA VAL 5 -13.659 1.129 -1.795 28 HB VAL 5 HB VAL 5 -13.305 3.178 -3.138 29 1HG1 VAL 5 1HG1 VAL 5 -16.270 3.034 -3.083 30 2HG1 VAL 5 2HG1 VAL 5 -15.425 1.499 -3.292 31 3HG1 VAL 5 3HG1 VAL 5 -15.154 2.818 -4.432 32 1HG2 VAL 5 1HG2 VAL 5 -15.177 4.341 -1.081 33 2HG2 VAL 5 2HG2 VAL 5 -15.108 5.026 -2.705 34 3HG2 VAL 5 3HG2 VAL 5 -13.661 4.997 -1.697 35 H LEU 6 HN LEU 6 -13.977 3.869 0.488 36 HA LEU 6 HA LEU 6 -11.190 4.470 0.762 37 1HB LEU 6 HB2 LEU 6 -13.654 5.296 1.833 38 2HB LEU 6 HB1 LEU 6 -12.747 4.703 3.225 39 HG LEU 6 HG LEU 6 -10.791 6.110 2.042 40 1HD1 LEU 6 1HD1 LEU 6 -12.169 6.828 0.150 41 2HD1 LEU 6 2HD1 LEU 6 -11.762 8.222 1.150 42 3HD1 LEU 6 3HD1 LEU 6 -13.368 7.503 1.253 43 1HD2 LEU 6 1HD2 LEU 6 -12.997 7.049 3.882 44 2HD2 LEU 6 2HD2 LEU 6 -11.621 8.081 3.488 45 3HD2 LEU 6 3HD2 LEU 6 -11.363 6.540 4.307 46 H ASP 7 HN ASP 7 -13.299 2.147 2.452 47 HA ASP 7 HA ASP 7 -11.325 1.146 4.298 48 1HB ASP 7 HB2 ASP 7 -14.048 0.647 3.453 49 2HB ASP 7 HB1 ASP 7 -13.189 -0.886 3.581 50 H LEU 8 HN LEU 8 -12.146 0.406 0.940 51 HA LEU 8 HA LEU 8 -10.501 -1.998 0.744 52 1HB LEU 8 HB2 LEU 8 -12.449 -0.548 -0.763 53 2HB LEU 8 HB1 LEU 8 -11.023 -0.744 -1.781 54 HG LEU 8 HG LEU 8 -11.213 -3.223 -0.614 55 1HD1 LEU 8 1HD1 LEU 8 -14.042 -2.387 -1.300 56 2HD1 LEU 8 2HD1 LEU 8 -13.435 -2.451 0.354 57 3HD1 LEU 8 3HD1 LEU 8 -13.510 -3.922 -0.615 58 1HD2 LEU 8 1HD2 LEU 8 -10.861 -2.649 -3.024 59 2HD2 LEU 8 2HD2 LEU 8 -12.590 -2.336 -3.173 60 3HD2 LEU 8 3HD2 LEU 8 -12.018 -3.962 -2.801 61 H ILE 9 HN ILE 9 -10.008 1.469 0.176 62 HA ILE 9 HA ILE 9 -7.692 1.486 -1.424 63 HB ILE 9 HB ILE 9 -8.627 3.179 0.907 64 1HG1 ILE 9 2HG1 ILE 9 -8.426 3.816 -2.049 65 2HG1 ILE 9 1HG1 ILE 9 -9.869 3.128 -1.311 66 1HG2 ILE 9 1HG2 ILE 9 -6.942 4.881 0.018 67 2HG2 ILE 9 2HG2 ILE 9 -6.187 3.545 -0.850 68 3HG2 ILE 9 3HG2 ILE 9 -6.257 3.524 0.912 69 1HD1 ILE 9 1HD1 ILE 9 -8.802 5.875 -1.154 70 2HD1 ILE 9 2HD1 ILE 9 -9.347 5.212 0.385 71 3HD1 ILE 9 3HD1 ILE 9 -10.460 5.300 -0.979 72 H TYR 10 HN TYR 10 -8.058 0.516 1.926 73 HA TYR 10 HA TYR 10 -5.378 0.613 2.850 74 1HB TYR 10 HB2 TYR 10 -6.391 -0.372 4.642 75 2HB TYR 10 HB1 TYR 10 -7.879 -0.268 3.718 76 HD1 TYR 10 HD1 TYR 10 -8.785 -2.246 2.551 77 HD2 TYR 10 HD2 TYR 10 -5.168 -2.477 4.857 78 HE1 TYR 10 HE1 TYR 10 -8.927 -4.718 2.524 79 HE2 TYR 10 HE2 TYR 10 -5.309 -4.951 4.826 80 HH TYR 10 HH TYR 10 -6.811 -6.685 2.841 81 H SER 11 HN SER 11 -7.054 -1.872 0.914 82 HA SER 11 HA SER 11 -4.766 -3.680 0.783 83 1HB SER 11 HB2 SER 11 -7.261 -4.208 0.534 84 2HB SER 11 HB1 SER 11 -7.168 -3.475 -1.065 85 HG SER 11 HG SER 11 -5.726 -5.044 -1.681 86 H LEU 12 HN LEU 12 -6.191 -1.173 -1.302 87 HA LEU 12 HA LEU 12 -4.488 -1.465 -3.577 88 1HB LEU 12 HB2 LEU 12 -6.432 -0.141 -3.803 89 2HB LEU 12 HB1 LEU 12 -6.126 0.724 -2.301 90 HG LEU 12 HG LEU 12 -4.160 1.821 -3.373 91 1HD1 LEU 12 1HD1 LEU 12 -4.270 1.672 -5.981 92 2HD1 LEU 12 2HD1 LEU 12 -5.108 0.148 -5.691 93 3HD1 LEU 12 3HD1 LEU 12 -3.465 0.379 -5.093 94 1HD2 LEU 12 1HD2 LEU 12 -6.623 2.676 -3.420 95 2HD2 LEU 12 2HD2 LEU 12 -6.568 2.254 -5.132 96 3HD2 LEU 12 3HD2 LEU 12 -5.445 3.450 -4.481 97 H HIS 13 HN HIS 13 -4.195 0.489 -0.624 98 HA HIS 13 HA HIS 13 -1.673 1.733 -1.283 99 1HB HIS 13 HB2 HIS 13 -3.567 2.212 0.522 100 2HB HIS 13 HB1 HIS 13 -2.566 1.165 1.528 101 HD1 HIS 13 HD1 HIS 13 -0.120 1.973 2.042 102 HD2 HIS 13 HD2 HIS 13 -2.442 4.754 -0.019 103 HE1 HIS 13 HE1 HIS 13 1.120 4.176 2.172 104 H LYS 14 HN LYS 14 -2.575 -1.333 0.217 105 HA LYS 14 HA LYS 14 -0.104 -2.052 1.430 106 1HB LYS 14 HB2 LYS 14 -2.643 -3.180 0.824 107 2HB LYS 14 HB1 LYS 14 -1.430 -4.307 0.217 108 1HG LYS 14 HG2 LYS 14 -1.131 -3.115 2.962 109 2HG LYS 14 HG1 LYS 14 -2.203 -4.492 2.707 110 1HD LYS 14 HD2 LYS 14 0.197 -5.075 1.316 111 2HD LYS 14 HD1 LYS 14 0.670 -4.466 2.902 112 1HE LYS 14 HE2 LYS 14 -0.008 -6.382 3.910 113 2HE LYS 14 HE1 LYS 14 -1.593 -6.297 3.116 114 1HZ LYS 14 HZ1 LYS 14 -0.353 -8.230 2.349 115 2HZ LYS 14 HZ2 LYS 14 0.933 -7.236 1.855 116 3HZ LYS 14 HZ3 LYS 14 -0.575 -7.128 1.078 117 H GLN 15 HN GLN 15 -1.216 -2.306 -1.913 118 HA GLN 15 HA GLN 15 1.036 -3.854 -2.887 119 1HB GLN 15 HB2 GLN 15 -1.195 -2.209 -4.055 120 2HB GLN 15 HB1 GLN 15 0.106 -2.766 -5.107 121 1HG GLN 15 HG2 GLN 15 -1.162 -4.750 -3.256 122 2HG GLN 15 HG1 GLN 15 -2.052 -4.267 -4.700 123 1HE2 GLN 15 1HE2 GLN 15 -1.365 -5.130 -6.710 124 2HE2 GLN 15 2HE2 GLN 15 -0.004 -6.130 -6.888 125 H ILE 16 HN ILE 16 0.457 -0.454 -2.301 126 HA ILE 16 HA ILE 16 2.761 0.482 -3.860 127 HB ILE 16 HB ILE 16 0.971 1.783 -1.772 128 1HG1 ILE 16 2HG1 ILE 16 0.912 2.225 -4.760 129 2HG1 ILE 16 1HG1 ILE 16 -0.008 0.916 -4.017 130 1HG2 ILE 16 1HG2 ILE 16 1.813 3.916 -2.678 131 2HG2 ILE 16 2HG2 ILE 16 2.894 3.035 -3.757 132 3HG2 ILE 16 3HG2 ILE 16 3.134 2.956 -2.012 133 1HD1 ILE 16 1HD1 ILE 16 -1.633 2.439 -3.646 134 2HD1 ILE 16 2HD1 ILE 16 -0.561 3.782 -4.041 135 3HD1 ILE 16 3HD1 ILE 16 -0.576 3.118 -2.408 136 H ASN 17 HN ASN 17 2.131 -0.694 -0.654 137 HA ASN 17 HA ASN 17 4.546 0.434 0.586 138 1HB ASN 17 HB2 ASN 17 2.127 -0.375 1.481 139 2HB ASN 17 HB1 ASN 17 3.034 -1.860 1.750 140 1HD2 ASN 17 1HD2 ASN 17 2.721 1.514 2.753 141 2HD2 ASN 17 2HD2 ASN 17 3.785 1.405 4.070 142 H ARG 18 HN ARG 18 3.424 -2.856 -0.347 143 HA ARG 18 HA ARG 18 5.733 -4.317 0.352 144 1HB ARG 18 HB2 ARG 18 4.911 -5.939 -1.329 145 2HB ARG 18 HB1 ARG 18 3.583 -5.282 -0.380 146 1HG ARG 18 HG2 ARG 18 2.638 -4.939 -2.428 147 2HG ARG 18 HG1 ARG 18 3.643 -3.492 -2.426 148 1HD ARG 18 HD2 ARG 18 4.535 -4.311 -4.357 149 2HD ARG 18 HD1 ARG 18 5.383 -5.480 -3.326 150 HE ARG 18 HE ARG 18 2.737 -5.986 -4.636 151 1HH1 ARG 18 1HH1 ARG 18 5.851 -7.114 -4.555 152 2HH1 ARG 18 2HH1 ARG 18 5.461 -8.754 -4.158 153 1HH2 ARG 18 1HH2 ARG 18 2.120 -8.080 -3.485 154 2HH2 ARG 18 2HH2 ARG 18 3.344 -9.301 -3.555 155 H GLY 19 HN GLY 19 5.138 -2.362 -2.568 156 1HA GLY 19 HA2 GLY 19 7.621 -3.162 -3.874 157 2HA GLY 19 HA1 GLY 19 6.579 -1.820 -4.360 158 H LEU 20 HN LEU 20 6.504 -0.358 -1.981 159 HA LEU 20 HA LEU 20 8.874 1.214 -2.078 160 1HB LEU 20 HB2 LEU 20 6.872 2.184 -1.257 161 2HB LEU 20 HB1 LEU 20 6.575 0.843 -0.155 162 HG LEU 20 HG LEU 20 8.510 1.531 1.211 163 1HD1 LEU 20 1HD1 LEU 20 9.894 2.550 -0.527 164 2HD1 LEU 20 2HD1 LEU 20 9.570 3.746 0.728 165 3HD1 LEU 20 3HD1 LEU 20 8.683 3.804 -0.794 166 1HD2 LEU 20 1HD2 LEU 20 6.576 3.796 0.626 167 2HD2 LEU 20 2HD2 LEU 20 7.537 3.623 2.094 168 3HD2 LEU 20 3HD2 LEU 20 6.275 2.449 1.723 169 H LYS 21 HN LYS 21 7.905 -1.440 0.056 170 HA LYS 21 HA LYS 21 10.106 -1.323 1.890 171 1HB LYS 21 HB2 LYS 21 8.161 -3.434 0.960 172 2HB LYS 21 HB1 LYS 21 9.403 -3.812 2.153 173 1HG LYS 21 HG2 LYS 21 8.457 -2.463 3.774 174 2HG LYS 21 HG1 LYS 21 7.750 -1.361 2.592 175 1HD LYS 21 HD2 LYS 21 5.852 -2.602 2.371 176 2HD LYS 21 HD1 LYS 21 6.717 -4.132 2.500 177 1HE LYS 21 HE2 LYS 21 6.891 -3.871 4.934 178 2HE LYS 21 HE1 LYS 21 6.100 -2.285 4.836 179 1HZ LYS 21 HZ1 LYS 21 4.466 -3.986 5.317 180 2HZ LYS 21 HZ2 LYS 21 4.942 -4.879 3.953 181 3HZ LYS 21 HZ3 LYS 21 4.197 -3.362 3.762 182 H LYS 22 HN LYS 22 9.640 -3.132 -1.144 183 HA LYS 22 HA LYS 22 12.078 -4.628 -1.090 184 1HB LYS 22 HB2 LYS 22 10.212 -5.136 -2.572 185 2HB LYS 22 HB1 LYS 22 10.355 -3.561 -3.350 186 1HG LYS 22 HG2 LYS 22 12.869 -5.073 -3.377 187 2HG LYS 22 HG1 LYS 22 11.563 -5.901 -4.224 188 1HD LYS 22 HD2 LYS 22 11.669 -3.023 -4.802 189 2HD LYS 22 HD1 LYS 22 13.126 -3.886 -5.294 190 1HE LYS 22 HE2 LYS 22 11.977 -5.240 -6.817 191 2HE LYS 22 HE1 LYS 22 10.431 -5.049 -5.970 192 1HZ LYS 22 HZ1 LYS 22 10.230 -2.838 -6.693 193 2HZ LYS 22 HZ2 LYS 22 10.728 -3.692 -8.074 194 3HZ LYS 22 HZ3 LYS 22 11.845 -2.753 -7.204 195 H ILE 23 HN ILE 23 11.362 -1.346 -2.217 196 HA ILE 23 HA ILE 23 13.912 -0.888 -3.505 197 HB ILE 23 HB ILE 23 11.789 0.957 -2.362 198 1HG1 ILE 23 2HG1 ILE 23 12.281 0.484 -5.284 199 2HG1 ILE 23 1HG1 ILE 23 11.417 -0.750 -4.368 200 1HG2 ILE 23 1HG2 ILE 23 14.134 1.546 -4.198 201 2HG2 ILE 23 2HG2 ILE 23 13.890 2.181 -2.571 202 3HG2 ILE 23 3HG2 ILE 23 12.810 2.668 -3.877 203 1HD1 ILE 23 1HD1 ILE 23 10.615 2.078 -4.955 204 2HD1 ILE 23 2HD1 ILE 23 10.030 1.311 -3.479 205 3HD1 ILE 23 3HD1 ILE 23 9.654 0.603 -5.050 206 H VAL 24 HN VAL 24 12.827 -0.734 -0.191 207 HA VAL 24 HA VAL 24 15.326 0.663 0.653 208 HB VAL 24 HB VAL 24 12.751 -0.077 2.087 209 1HG1 VAL 24 1HG1 VAL 24 13.643 1.494 3.855 210 2HG1 VAL 24 2HG1 VAL 24 15.194 1.459 3.015 211 3HG1 VAL 24 3HG1 VAL 24 14.536 -0.021 3.714 212 1HG2 VAL 24 1HG2 VAL 24 12.119 1.706 0.760 213 2HG2 VAL 24 2HG2 VAL 24 13.759 2.347 0.657 214 3HG2 VAL 24 3HG2 VAL 24 12.802 2.601 2.117 215 H LEU 25 HN LEU 25 13.705 -2.426 0.712 216 HA LEU 25 HA LEU 25 15.427 -3.616 2.768 217 1HB LEU 25 HB2 LEU 25 13.143 -4.339 2.581 218 2HB LEU 25 HB1 LEU 25 13.300 -4.600 0.846 219 HG LEU 25 HG LEU 25 14.921 -6.424 1.280 220 1HD1 LEU 25 1HD1 LEU 25 15.881 -5.762 3.380 221 2HD1 LEU 25 2HD1 LEU 25 15.013 -7.265 3.684 222 3HD1 LEU 25 3HD1 LEU 25 14.301 -5.724 4.162 223 1HD2 LEU 25 1HD2 LEU 25 12.255 -6.585 1.354 224 2HD2 LEU 25 2HD2 LEU 25 12.577 -7.085 3.014 225 3HD2 LEU 25 3HD2 LEU 25 13.269 -7.993 1.669 226 H GLY 26 HN GLY 26 15.161 -3.723 -0.807 227 1HA GLY 26 HA2 GLY 26 17.969 -4.622 -0.943 228 2HA GLY 26 HA1 GLY 26 16.782 -5.751 -1.593 229 H TRP 27 HN TRP 27 18.248 -2.576 -2.022 230 HA TRP 27 HA TRP 27 17.555 -2.679 -4.905 231 1HB TRP 27 HB2 TRP 27 15.695 -1.559 -3.566 232 2HB TRP 27 HB1 TRP 27 16.857 -0.292 -3.174 233 HD1 TRP 27 HD1 TRP 27 17.208 1.559 -4.903 234 HE1 TRP 27 HE1 TRP 27 16.408 1.977 -7.318 235 HE3 TRP 27 HE3 TRP 27 15.030 -2.950 -5.900 236 HZ2 TRP 27 HZ2 TRP 27 15.025 0.580 -9.397 237 HZ3 TRP 27 HZ3 TRP 27 13.980 -3.380 -8.104 238 HH2 TRP 27 HH2 TRP 27 13.975 -1.622 -9.852 239 H ALA 28 HN ALA 28 18.985 -1.403 -6.176 240 HA ALA 28 HA ALA 28 21.023 -0.350 -6.709 241 1HB ALA 28 HB1 ALA 28 21.349 1.692 -5.537 242 2HB ALA 28 HB2 ALA 28 20.693 1.032 -4.039 243 3HB ALA 28 HB3 ALA 28 19.619 1.380 -5.393 Start of MODEL 24 1 1H SER 1 HT1 SER 1 -20.599 5.189 10.185 2 2H SER 1 HT2 SER 1 -21.293 4.173 9.013 3 3H SER 1 HT3 SER 1 -21.936 5.722 9.287 4 HA SER 1 HA SER 1 -20.040 6.790 8.348 5 1HB SER 1 HB2 SER 1 -18.872 3.990 8.219 6 2HB SER 1 HB1 SER 1 -18.043 5.493 7.826 7 HG SER 1 HG SER 1 -17.668 4.619 9.994 8 H GLY 2 HN GLY 2 -19.929 7.100 6.072 9 1HA GLY 2 HA2 GLY 2 -21.359 5.058 4.411 10 2HA GLY 2 HA1 GLY 2 -21.621 6.790 4.196 11 H ASN 3 HN ASN 3 -19.178 4.228 3.920 12 HA ASN 3 HA ASN 3 -17.933 5.720 1.666 13 1HB ASN 3 HB2 ASN 3 -16.874 5.413 4.378 14 2HB ASN 3 HB1 ASN 3 -15.764 4.778 3.162 15 1HD2 ASN 3 1HD2 ASN 3 -17.152 7.710 4.481 16 2HD2 ASN 3 2HD2 ASN 3 -16.323 8.790 3.466 17 H TYR 4 HN TYR 4 -15.999 4.205 0.838 18 HA TYR 4 HA TYR 4 -16.380 1.327 1.244 19 1HB TYR 4 HB2 TYR 4 -18.309 2.130 -0.209 20 2HB TYR 4 HB1 TYR 4 -17.115 2.552 -1.434 21 HD1 TYR 4 HD1 TYR 4 -18.408 -0.284 0.618 22 HD2 TYR 4 HD2 TYR 4 -16.205 0.903 -2.874 23 HE1 TYR 4 HE1 TYR 4 -18.368 -2.637 -0.157 24 HE2 TYR 4 HE2 TYR 4 -16.164 -1.452 -3.648 25 HH TYR 4 HH TYR 4 -16.423 -3.906 -2.076 26 H VAL 5 HN VAL 5 -15.225 3.660 -1.246 27 HA VAL 5 HA VAL 5 -12.989 2.067 -2.090 28 HB VAL 5 HB VAL 5 -12.251 4.175 -3.157 29 1HG1 VAL 5 1HG1 VAL 5 -14.161 4.502 -4.557 30 2HG1 VAL 5 2HG1 VAL 5 -15.269 4.016 -3.273 31 3HG1 VAL 5 3HG1 VAL 5 -14.219 2.820 -4.031 32 1HG2 VAL 5 1HG2 VAL 5 -14.315 5.389 -1.307 33 2HG2 VAL 5 2HG2 VAL 5 -13.759 6.214 -2.761 34 3HG2 VAL 5 3HG2 VAL 5 -12.615 5.826 -1.476 35 H LEU 6 HN LEU 6 -13.256 4.658 0.374 36 HA LEU 6 HA LEU 6 -10.496 4.873 1.057 37 1HB LEU 6 HB2 LEU 6 -13.122 5.588 2.124 38 2HB LEU 6 HB1 LEU 6 -11.996 5.170 3.416 39 HG LEU 6 HG LEU 6 -11.084 6.989 1.206 40 1HD1 LEU 6 1HD1 LEU 6 -12.859 7.709 3.547 41 2HD1 LEU 6 2HD1 LEU 6 -13.102 8.091 1.841 42 3HD1 LEU 6 3HD1 LEU 6 -11.822 8.895 2.751 43 1HD2 LEU 6 1HD2 LEU 6 -9.794 7.929 3.190 44 2HD2 LEU 6 2HD2 LEU 6 -9.391 6.268 2.755 45 3HD2 LEU 6 3HD2 LEU 6 -10.435 6.588 4.139 46 H ASP 7 HN ASP 7 -13.023 2.639 2.184 47 HA ASP 7 HA ASP 7 -11.398 1.242 4.126 48 1HB ASP 7 HB2 ASP 7 -14.043 1.099 2.857 49 2HB ASP 7 HB1 ASP 7 -13.370 -0.497 3.182 50 H LEU 8 HN LEU 8 -12.022 0.849 0.657 51 HA LEU 8 HA LEU 8 -10.639 -1.698 0.384 52 1HB LEU 8 HB2 LEU 8 -12.222 0.130 -1.161 53 2HB LEU 8 HB1 LEU 8 -10.752 -0.230 -2.062 54 HG LEU 8 HG LEU 8 -11.452 -2.707 -1.065 55 1HD1 LEU 8 1HD1 LEU 8 -13.618 -1.780 -0.282 56 2HD1 LEU 8 2HD1 LEU 8 -13.847 -2.981 -1.552 57 3HD1 LEU 8 3HD1 LEU 8 -13.981 -1.264 -1.929 58 1HD2 LEU 8 1HD2 LEU 8 -12.034 -3.225 -3.370 59 2HD2 LEU 8 2HD2 LEU 8 -10.708 -2.063 -3.381 60 3HD2 LEU 8 3HD2 LEU 8 -12.355 -1.526 -3.714 61 H ILE 9 HN ILE 9 -9.684 1.709 0.199 62 HA ILE 9 HA ILE 9 -7.245 1.579 -1.196 63 HB ILE 9 HB ILE 9 -8.198 3.154 1.206 64 1HG1 ILE 9 2HG1 ILE 9 -7.581 4.036 -1.627 65 2HG1 ILE 9 1HG1 ILE 9 -9.175 3.485 -1.120 66 1HG2 ILE 9 1HG2 ILE 9 -5.799 3.132 1.458 67 2HG2 ILE 9 2HG2 ILE 9 -6.230 4.681 0.735 68 3HG2 ILE 9 3HG2 ILE 9 -5.561 3.394 -0.269 69 1HD1 ILE 9 1HD1 ILE 9 -8.587 5.307 0.840 70 2HD1 ILE 9 2HD1 ILE 9 -9.526 5.673 -0.608 71 3HD1 ILE 9 3HD1 ILE 9 -7.800 6.034 -0.560 72 H TYR 10 HN TYR 10 -8.031 0.392 2.011 73 HA TYR 10 HA TYR 10 -5.466 0.047 3.156 74 1HB TYR 10 HB2 TYR 10 -6.762 -0.947 4.746 75 2HB TYR 10 HB1 TYR 10 -8.129 -0.584 3.706 76 HD1 TYR 10 HD1 TYR 10 -5.763 -3.199 4.792 77 HD2 TYR 10 HD2 TYR 10 -9.191 -2.328 2.355 78 HE1 TYR 10 HE1 TYR 10 -6.190 -5.625 4.522 79 HE2 TYR 10 HE2 TYR 10 -9.617 -4.753 2.084 80 HH TYR 10 HH TYR 10 -7.837 -6.965 2.277 81 H SER 11 HN SER 11 -7.239 -2.043 0.867 82 HA SER 11 HA SER 11 -5.188 -4.106 0.740 83 1HB SER 11 HB2 SER 11 -7.698 -4.251 0.228 84 2HB SER 11 HB1 SER 11 -7.342 -3.431 -1.289 85 HG SER 11 HG SER 11 -7.116 -5.507 -1.828 86 H LEU 12 HN LEU 12 -6.069 -1.265 -1.235 87 HA LEU 12 HA LEU 12 -4.193 -1.619 -3.359 88 1HB LEU 12 HB2 LEU 12 -6.173 0.158 -2.652 89 2HB LEU 12 HB1 LEU 12 -4.726 1.135 -2.415 90 HG LEU 12 HG LEU 12 -5.516 1.420 -4.700 91 1HD1 LEU 12 1HD1 LEU 12 -3.491 0.925 -5.875 92 2HD1 LEU 12 2HD1 LEU 12 -3.120 -0.425 -4.804 93 3HD1 LEU 12 3HD1 LEU 12 -3.027 1.229 -4.201 94 1HD2 LEU 12 1HD2 LEU 12 -6.683 -0.851 -4.728 95 2HD2 LEU 12 2HD2 LEU 12 -5.109 -1.553 -5.100 96 3HD2 LEU 12 3HD2 LEU 12 -5.848 -0.404 -6.214 97 H HIS 13 HN HIS 13 -3.913 -0.124 -0.164 98 HA HIS 13 HA HIS 13 -1.300 1.006 -0.443 99 1HB HIS 13 HB2 HIS 13 -3.161 1.252 1.374 100 2HB HIS 13 HB1 HIS 13 -2.406 -0.160 2.114 101 HD1 HIS 13 HD1 HIS 13 -2.327 3.270 2.582 102 HD2 HIS 13 HD2 HIS 13 0.726 0.505 1.946 103 HE1 HIS 13 HE1 HIS 13 -0.201 4.338 3.449 104 H LYS 14 HN LYS 14 -2.392 -2.281 0.369 105 HA LYS 14 HA LYS 14 0.087 -3.356 1.304 106 1HB LYS 14 HB2 LYS 14 -2.078 -4.697 -0.356 107 2HB LYS 14 HB1 LYS 14 -0.927 -5.512 0.700 108 1HG LYS 14 HG2 LYS 14 -3.222 -3.707 1.478 109 2HG LYS 14 HG1 LYS 14 -2.927 -5.371 1.974 110 1HD LYS 14 HD2 LYS 14 -0.992 -4.685 3.290 111 2HD LYS 14 HD1 LYS 14 -1.151 -3.027 2.713 112 1HE LYS 14 HE2 LYS 14 -2.144 -3.191 4.950 113 2HE LYS 14 HE1 LYS 14 -3.442 -2.944 3.768 114 1HZ LYS 14 HZ1 LYS 14 -4.025 -5.176 3.810 115 2HZ LYS 14 HZ2 LYS 14 -3.674 -4.867 5.441 116 3HZ LYS 14 HZ3 LYS 14 -2.541 -5.670 4.465 117 H GLN 15 HN GLN 15 -1.168 -2.774 -1.933 118 HA GLN 15 HA GLN 15 0.972 -4.128 -3.368 119 1HB GLN 15 HB2 GLN 15 -1.389 -3.546 -4.163 120 2HB GLN 15 HB1 GLN 15 -0.838 -1.876 -4.296 121 1HG GLN 15 HG2 GLN 15 1.038 -2.735 -5.784 122 2HG GLN 15 HG1 GLN 15 0.195 -4.284 -5.810 123 1HE2 GLN 15 1HE2 GLN 15 -1.923 -4.369 -6.892 124 2HE2 GLN 15 2HE2 GLN 15 -2.409 -3.137 -7.954 125 H ILE 16 HN ILE 16 0.279 -0.792 -2.390 126 HA ILE 16 HA ILE 16 2.612 0.424 -3.580 127 HB ILE 16 HB ILE 16 0.713 1.149 -1.329 128 1HG1 ILE 16 2HG1 ILE 16 -0.263 1.083 -3.587 129 2HG1 ILE 16 1HG1 ILE 16 -0.166 2.746 -3.010 130 1HG2 ILE 16 1HG2 ILE 16 3.094 2.628 -2.421 131 2HG2 ILE 16 2HG2 ILE 16 2.568 2.449 -0.746 132 3HG2 ILE 16 3HG2 ILE 16 1.694 3.527 -1.835 133 1HD1 ILE 16 1HD1 ILE 16 1.124 1.518 -5.318 134 2HD1 ILE 16 2HD1 ILE 16 2.294 2.316 -4.267 135 3HD1 ILE 16 3HD1 ILE 16 0.933 3.226 -4.922 136 H ASN 17 HN ASN 17 1.904 -1.024 -0.441 137 HA ASN 17 HA ASN 17 4.322 -0.294 0.931 138 1HB ASN 17 HB2 ASN 17 1.927 -1.732 1.383 139 2HB ASN 17 HB1 ASN 17 3.232 -2.868 1.711 140 1HD2 ASN 17 1HD2 ASN 17 4.925 -2.125 3.312 141 2HD2 ASN 17 2HD2 ASN 17 4.479 -1.014 4.515 142 H ARG 18 HN ARG 18 3.422 -3.158 -1.016 143 HA ARG 18 HA ARG 18 5.777 -4.707 -0.628 144 1HB ARG 18 HB2 ARG 18 3.888 -5.701 -1.666 145 2HB ARG 18 HB1 ARG 18 3.734 -4.392 -2.834 146 1HG ARG 18 HG2 ARG 18 4.649 -6.334 -3.968 147 2HG ARG 18 HG1 ARG 18 5.910 -5.110 -3.848 148 1HD ARG 18 HD2 ARG 18 6.173 -6.584 -1.478 149 2HD ARG 18 HD1 ARG 18 5.864 -7.803 -2.731 150 HE ARG 18 HE ARG 18 8.207 -6.038 -2.600 151 1HH1 ARG 18 1HH2 ARG 18 8.352 -8.896 -3.460 152 2HH1 ARG 18 2HH2 ARG 18 8.545 -8.759 -5.175 153 1HH2 ARG 18 1HH1 ARG 18 7.490 -5.450 -5.297 154 2HH2 ARG 18 2HH1 ARG 18 8.056 -6.804 -6.219 155 H GLY 19 HN GLY 19 5.050 -2.228 -3.122 156 1HA GLY 19 HA2 GLY 19 7.685 -2.406 -4.339 157 2HA GLY 19 HA1 GLY 19 6.486 -1.152 -4.652 158 H LEU 20 HN LEU 20 6.250 -0.536 -1.733 159 HA LEU 20 HA LEU 20 8.365 1.459 -1.587 160 1HB LEU 20 HB2 LEU 20 6.177 2.006 -0.792 161 2HB LEU 20 HB1 LEU 20 6.089 0.541 0.181 162 HG LEU 20 HG LEU 20 7.880 1.392 1.644 163 1HD1 LEU 20 1HD1 LEU 20 8.590 3.780 1.371 164 2HD1 LEU 20 2HD1 LEU 20 7.735 3.819 -0.172 165 3HD1 LEU 20 3HD1 LEU 20 9.120 2.747 0.044 166 1HD2 LEU 20 1HD2 LEU 20 6.573 3.070 2.771 167 2HD2 LEU 20 2HD2 LEU 20 5.431 1.952 2.023 168 3HD2 LEU 20 3HD2 LEU 20 5.752 3.518 1.276 169 H LYS 21 HN LYS 21 7.603 -1.528 0.197 170 HA LYS 21 HA LYS 21 9.884 -1.285 1.985 171 1HB LYS 21 HB2 LYS 21 9.117 -3.414 2.824 172 2HB LYS 21 HB1 LYS 21 7.692 -2.449 2.446 173 1HG LYS 21 HG2 LYS 21 6.984 -4.186 1.193 174 2HG LYS 21 HG1 LYS 21 8.264 -3.780 0.054 175 1HD LYS 21 HD2 LYS 21 8.791 -5.998 0.507 176 2HD LYS 21 HD1 LYS 21 9.764 -5.178 1.730 177 1HE LYS 21 HE2 LYS 21 8.688 -6.640 3.149 178 2HE LYS 21 HE1 LYS 21 7.397 -5.426 3.074 179 1HZ LYS 21 HZ1 LYS 21 6.556 -7.627 2.491 180 2HZ LYS 21 HZ2 LYS 21 7.698 -7.751 1.240 181 3HZ LYS 21 HZ3 LYS 21 6.468 -6.580 1.161 182 H LYS 22 HN LYS 22 9.416 -2.727 -1.185 183 HA LYS 22 HA LYS 22 11.802 -4.420 -1.017 184 1HB LYS 22 HB2 LYS 22 11.247 -4.988 -3.289 185 2HB LYS 22 HB1 LYS 22 9.724 -4.831 -2.421 186 1HG LYS 22 HG2 LYS 22 9.111 -3.429 -4.089 187 2HG LYS 22 HG1 LYS 22 10.171 -2.254 -3.315 188 1HD LYS 22 HD2 LYS 22 11.228 -2.214 -5.329 189 2HD LYS 22 HD1 LYS 22 11.977 -3.708 -4.767 190 1HE LYS 22 HE2 LYS 22 9.351 -4.260 -5.885 191 2HE LYS 22 HE1 LYS 22 10.371 -3.412 -7.062 192 1HZ LYS 22 HZ1 LYS 22 12.056 -4.996 -6.861 193 2HZ LYS 22 HZ2 LYS 22 10.639 -5.931 -6.893 194 3HZ LYS 22 HZ3 LYS 22 11.429 -5.636 -5.420 195 H ILE 23 HN ILE 23 11.143 -1.110 -1.863 196 HA ILE 23 HA ILE 23 13.638 -0.726 -3.371 197 HB ILE 23 HB ILE 23 11.418 1.042 -2.312 198 1HG1 ILE 23 2HG1 ILE 23 11.003 -0.354 -4.340 199 2HG1 ILE 23 1HG1 ILE 23 10.942 1.372 -4.690 200 1HG2 ILE 23 1HG2 ILE 23 14.057 1.817 -3.548 201 2HG2 ILE 23 2HG2 ILE 23 13.244 2.520 -2.150 202 3HG2 ILE 23 3HG2 ILE 23 12.628 2.826 -3.774 203 1HD1 ILE 23 1HD1 ILE 23 13.354 1.229 -5.423 204 2HD1 ILE 23 2HD1 ILE 23 12.239 0.312 -6.435 205 3HD1 ILE 23 3HD1 ILE 23 13.242 -0.523 -5.250 206 H VAL 24 HN VAL 24 12.353 0.066 -0.155 207 HA VAL 24 HA VAL 24 14.757 1.355 0.826 208 HB VAL 24 HB VAL 24 12.385 0.035 2.196 209 1HG1 VAL 24 1HG1 VAL 24 13.216 1.840 3.991 210 2HG1 VAL 24 2HG1 VAL 24 14.773 1.495 3.238 211 3HG1 VAL 24 3HG1 VAL 24 13.842 0.192 3.977 212 1HG2 VAL 24 1HG2 VAL 24 11.377 2.168 2.214 213 2HG2 VAL 24 2HG2 VAL 24 12.103 2.082 0.610 214 3HG2 VAL 24 3HG2 VAL 24 12.901 2.992 1.891 215 H LEU 25 HN LEU 25 13.504 -1.947 0.856 216 HA LEU 25 HA LEU 25 15.567 -3.048 2.589 217 1HB LEU 25 HB2 LEU 25 13.446 -4.152 2.431 218 2HB LEU 25 HB1 LEU 25 13.492 -4.142 0.671 219 HG LEU 25 HG LEU 25 15.355 -5.732 0.682 220 1HD1 LEU 25 1HD1 LEU 25 15.104 -5.436 3.686 221 2HD1 LEU 25 2HD1 LEU 25 16.534 -5.165 2.689 222 3HD1 LEU 25 3HD1 LEU 25 15.928 -6.802 2.933 223 1HD2 LEU 25 1HD2 LEU 25 13.101 -6.625 2.506 224 2HD2 LEU 25 2HD2 LEU 25 14.146 -7.682 1.557 225 3HD2 LEU 25 3HD2 LEU 25 13.025 -6.588 0.745 226 H GLY 26 HN GLY 26 15.091 -2.760 -0.930 227 1HA GLY 26 HA2 GLY 26 17.436 -4.315 -1.631 228 2HA GLY 26 HA1 GLY 26 16.519 -3.281 -2.725 229 H TRP 27 HN TRP 27 16.763 -0.788 -1.508 230 HA TRP 27 HA TRP 27 19.737 -0.356 -1.435 231 1HB TRP 27 HB2 TRP 27 17.530 0.882 -3.035 232 2HB TRP 27 HB1 TRP 27 18.887 1.905 -2.568 233 HD1 TRP 27 HD1 TRP 27 17.860 -0.467 -5.161 234 HE1 TRP 27 HE1 TRP 27 19.880 -1.232 -6.569 235 HE3 TRP 27 HE3 TRP 27 21.677 1.215 -2.215 236 HZ2 TRP 27 HZ2 TRP 27 22.736 -1.144 -6.458 237 HZ3 TRP 27 HZ3 TRP 27 24.035 0.861 -2.889 238 HH2 TRP 27 HH2 TRP 27 24.569 -0.315 -5.006 239 H ALA 28 HN ALA 28 20.441 0.902 0.251 240 HA ALA 28 HA ALA 28 18.404 2.472 1.802 241 1HB ALA 28 HB1 ALA 28 20.760 0.896 2.888 242 2HB ALA 28 HB2 ALA 28 19.111 0.273 2.818 243 3HB ALA 28 HB3 ALA 28 19.483 1.671 3.827 Start of MODEL 25 1 1H SER 1 HT1 SER 1 -21.984 9.189 0.335 2 2H SER 1 HT2 SER 1 -21.667 10.435 1.446 3 3H SER 1 HT3 SER 1 -23.215 9.736 1.369 4 HA SER 1 HA SER 1 -22.007 8.900 3.302 5 1HB SER 1 HB2 SER 1 -22.589 7.083 0.951 6 2HB SER 1 HB1 SER 1 -22.236 6.455 2.559 7 HG SER 1 HG SER 1 -24.485 6.751 2.201 8 H GLY 2 HN GLY 2 -20.204 7.536 4.046 9 1HA GLY 2 HA2 GLY 2 -17.691 8.187 2.755 10 2HA GLY 2 HA1 GLY 2 -17.885 7.150 4.168 11 H ASN 3 HN ASN 3 -19.744 5.298 2.901 12 HA ASN 3 HA ASN 3 -19.760 3.368 1.545 13 1HB ASN 3 HB2 ASN 3 -18.965 5.389 -0.069 14 2HB ASN 3 HB1 ASN 3 -17.517 4.385 -0.134 15 1HD2 ASN 3 1HD2 ASN 3 -17.585 2.763 -1.708 16 2HD2 ASN 3 2HD2 ASN 3 -19.005 2.096 -2.354 17 H TYR 4 HN TYR 4 -18.044 1.663 0.633 18 HA TYR 4 HA TYR 4 -16.100 1.201 2.844 19 1HB TYR 4 HB2 TYR 4 -16.227 -1.122 2.108 20 2HB TYR 4 HB1 TYR 4 -17.857 -0.477 2.267 21 HD1 TYR 4 HD1 TYR 4 -15.184 -1.343 -0.167 22 HD2 TYR 4 HD2 TYR 4 -19.312 -0.286 0.364 23 HE1 TYR 4 HE1 TYR 4 -15.639 -1.936 -2.529 24 HE2 TYR 4 HE2 TYR 4 -19.766 -0.878 -2.000 25 HH TYR 4 HH TYR 4 -18.295 -2.685 -3.757 26 H VAL 5 HN VAL 5 -15.959 2.618 -0.156 27 HA VAL 5 HA VAL 5 -13.720 1.336 -1.414 28 HB VAL 5 HB VAL 5 -15.253 2.923 -2.524 29 1HG1 VAL 5 1HG1 VAL 5 -15.390 4.432 -0.435 30 2HG1 VAL 5 2HG1 VAL 5 -15.352 5.234 -2.004 31 3HG1 VAL 5 3HG1 VAL 5 -13.893 5.160 -1.016 32 1HG2 VAL 5 1HG2 VAL 5 -12.660 4.392 -2.614 33 2HG2 VAL 5 2HG2 VAL 5 -13.643 3.763 -3.937 34 3HG2 VAL 5 3HG2 VAL 5 -12.620 2.672 -3.002 35 H LEU 6 HN LEU 6 -13.857 4.053 0.947 36 HA LEU 6 HA LEU 6 -11.038 4.587 0.995 37 1HB LEU 6 HB2 LEU 6 -11.574 5.714 3.118 38 2HB LEU 6 HB1 LEU 6 -12.829 6.049 1.929 39 HG LEU 6 HG LEU 6 -13.772 3.750 3.123 40 1HD1 LEU 6 1HD1 LEU 6 -12.702 5.494 5.352 41 2HD1 LEU 6 2HD1 LEU 6 -11.867 4.040 4.801 42 3HD1 LEU 6 3HD1 LEU 6 -13.486 3.920 5.489 43 1HD2 LEU 6 1HD2 LEU 6 -14.889 5.998 2.583 44 2HD2 LEU 6 2HD2 LEU 6 -14.351 6.524 4.178 45 3HD2 LEU 6 3HD2 LEU 6 -15.463 5.163 4.027 46 H ASP 7 HN ASP 7 -13.026 2.135 2.556 47 HA ASP 7 HA ASP 7 -10.989 1.179 4.405 48 1HB ASP 7 HB2 ASP 7 -13.738 0.600 3.555 49 2HB ASP 7 HB1 ASP 7 -12.818 -0.871 3.861 50 H LEU 8 HN LEU 8 -11.986 0.476 1.087 51 HA LEU 8 HA LEU 8 -10.358 -1.914 0.745 52 1HB LEU 8 HB2 LEU 8 -12.359 -0.429 -0.619 53 2HB LEU 8 HB1 LEU 8 -10.971 -0.512 -1.701 54 HG LEU 8 HG LEU 8 -11.075 -3.071 -0.665 55 1HD1 LEU 8 1HD1 LEU 8 -13.300 -2.448 0.352 56 2HD1 LEU 8 2HD1 LEU 8 -13.374 -3.809 -0.766 57 3HD1 LEU 8 3HD1 LEU 8 -13.914 -2.213 -1.283 58 1HD2 LEU 8 1HD2 LEU 8 -11.703 -3.711 -2.884 59 2HD2 LEU 8 2HD2 LEU 8 -10.792 -2.212 -3.061 60 3HD2 LEU 8 3HD2 LEU 8 -12.553 -2.191 -3.159 61 H ILE 9 HN ILE 9 -9.822 1.556 0.352 62 HA ILE 9 HA ILE 9 -7.574 1.631 -1.350 63 HB ILE 9 HB ILE 9 -8.337 3.196 1.133 64 1HG1 ILE 9 2HG1 ILE 9 -9.803 3.252 -0.943 65 2HG1 ILE 9 1HG1 ILE 9 -9.196 4.820 -0.417 66 1HG2 ILE 9 1HG2 ILE 9 -6.057 3.624 -0.803 67 2HG2 ILE 9 2HG2 ILE 9 -6.004 3.597 0.959 68 3HG2 ILE 9 3HG2 ILE 9 -6.753 4.955 0.120 69 1HD1 ILE 9 1HD1 ILE 9 -7.372 4.665 -2.086 70 2HD1 ILE 9 2HD1 ILE 9 -8.956 4.575 -2.854 71 3HD1 ILE 9 3HD1 ILE 9 -8.004 3.109 -2.623 72 H TYR 10 HN TYR 10 -7.837 0.557 1.977 73 HA TYR 10 HA TYR 10 -5.130 0.551 2.813 74 1HB TYR 10 HB2 TYR 10 -6.112 -0.447 4.612 75 2HB TYR 10 HB1 TYR 10 -7.625 -0.283 3.737 76 HD1 TYR 10 HD1 TYR 10 -8.594 -2.212 2.511 77 HD2 TYR 10 HD2 TYR 10 -4.968 -2.588 4.784 78 HE1 TYR 10 HE1 TYR 10 -8.801 -4.678 2.432 79 HE2 TYR 10 HE2 TYR 10 -5.175 -5.056 4.702 80 HH TYR 10 HH TYR 10 -7.570 -6.690 4.311 81 H SER 11 HN SER 11 -6.917 -1.859 0.877 82 HA SER 11 HA SER 11 -4.703 -3.739 0.686 83 1HB SER 11 HB2 SER 11 -7.256 -4.086 0.417 84 2HB SER 11 HB1 SER 11 -7.051 -3.440 -1.207 85 HG SER 11 HG SER 11 -6.101 -5.824 -0.067 86 H LEU 12 HN LEU 12 -6.016 -1.144 -1.373 87 HA LEU 12 HA LEU 12 -4.301 -1.497 -3.638 88 1HB LEU 12 HB2 LEU 12 -6.398 0.128 -2.866 89 2HB LEU 12 HB1 LEU 12 -5.048 1.261 -2.888 90 HG LEU 12 HG LEU 12 -6.122 1.213 -5.081 91 1HD1 LEU 12 1HD1 LEU 12 -4.175 0.878 -6.420 92 2HD1 LEU 12 2HD1 LEU 12 -3.534 -0.337 -5.312 93 3HD1 LEU 12 3HD1 LEU 12 -3.579 1.359 -4.831 94 1HD2 LEU 12 1HD2 LEU 12 -5.325 -1.680 -5.375 95 2HD2 LEU 12 2HD2 LEU 12 -6.477 -0.751 -6.332 96 3HD2 LEU 12 3HD2 LEU 12 -6.891 -1.244 -4.691 97 H HIS 13 HN HIS 13 -3.958 0.375 -0.648 98 HA HIS 13 HA HIS 13 -1.448 1.630 -1.299 99 1HB HIS 13 HB2 HIS 13 -3.312 2.005 0.572 100 2HB HIS 13 HB1 HIS 13 -2.248 0.956 1.511 101 HD1 HIS 13 HD1 HIS 13 -2.426 4.347 -0.065 102 HD2 HIS 13 HD2 HIS 13 0.322 2.071 2.082 103 HE1 HIS 13 HE1 HIS 13 -0.561 5.924 0.607 104 H LYS 14 HN LYS 14 -2.297 -1.451 0.268 105 HA LYS 14 HA LYS 14 0.279 -2.179 1.245 106 1HB LYS 14 HB2 LYS 14 -2.281 -3.261 1.101 107 2HB LYS 14 HB1 LYS 14 -1.318 -4.370 0.124 108 1HG LYS 14 HG2 LYS 14 -0.446 -3.466 2.876 109 2HG LYS 14 HG1 LYS 14 -1.445 -4.895 2.621 110 1HD LYS 14 HD2 LYS 14 0.410 -6.084 2.171 111 2HD LYS 14 HD1 LYS 14 0.700 -5.060 0.767 112 1HE LYS 14 HE2 LYS 14 2.649 -4.581 1.912 113 2HE LYS 14 HE1 LYS 14 1.602 -3.409 2.736 114 1HZ LYS 14 HZ1 LYS 14 1.066 -5.088 4.389 115 2HZ LYS 14 HZ2 LYS 14 2.748 -4.847 4.327 116 3HZ LYS 14 HZ3 LYS 14 2.058 -6.220 3.603 117 H GLN 15 HN GLN 15 -1.163 -2.449 -1.968 118 HA GLN 15 HA GLN 15 0.877 -4.079 -3.186 119 1HB GLN 15 HB2 GLN 15 -1.124 -2.045 -4.206 120 2HB GLN 15 HB1 GLN 15 -0.093 -2.977 -5.290 121 1HG GLN 15 HG2 GLN 15 -1.019 -5.066 -4.470 122 2HG GLN 15 HG1 GLN 15 -1.942 -4.216 -3.231 123 1HE2 GLN 15 1HE2 GLN 15 -1.878 -5.092 -6.631 124 2HE2 GLN 15 2HE2 GLN 15 -3.379 -4.407 -7.030 125 H ILE 16 HN ILE 16 0.413 -0.568 -2.943 126 HA ILE 16 HA ILE 16 2.812 0.192 -4.366 127 HB ILE 16 HB ILE 16 1.086 1.581 -2.283 128 1HG1 ILE 16 2HG1 ILE 16 1.064 2.278 -5.189 129 2HG1 ILE 16 1HG1 ILE 16 0.277 0.772 -4.712 130 1HG2 ILE 16 1HG2 ILE 16 3.332 2.617 -2.475 131 2HG2 ILE 16 2HG2 ILE 16 2.069 3.674 -3.106 132 3HG2 ILE 16 3HG2 ILE 16 3.098 2.772 -4.216 133 1HD1 ILE 16 1HD1 ILE 16 -0.724 2.390 -2.809 134 2HD1 ILE 16 2HD1 ILE 16 -1.502 2.184 -4.378 135 3HD1 ILE 16 3HD1 ILE 16 -0.470 3.584 -4.083 136 H ASN 17 HN ASN 17 2.021 -0.431 -0.979 137 HA ASN 17 HA ASN 17 4.561 0.372 0.145 138 1HB ASN 17 HB2 ASN 17 2.017 -0.761 0.956 139 2HB ASN 17 HB1 ASN 17 3.342 -1.598 1.765 140 1HD2 ASN 17 1HD2 ASN 17 5.006 -0.099 2.860 141 2HD2 ASN 17 2HD2 ASN 17 4.434 1.353 3.528 142 H ARG 18 HN ARG 18 3.308 -2.678 -1.192 143 HA ARG 18 HA ARG 18 5.317 -4.471 -0.259 144 1HB ARG 18 HB2 ARG 18 3.416 -4.277 -2.562 145 2HB ARG 18 HB1 ARG 18 4.692 -5.488 -2.671 146 1HG ARG 18 HG2 ARG 18 4.000 -6.479 -0.558 147 2HG ARG 18 HG1 ARG 18 2.804 -5.205 -0.316 148 1HD ARG 18 HD2 ARG 18 1.396 -6.760 -1.278 149 2HD ARG 18 HD1 ARG 18 2.058 -6.094 -2.784 150 HE ARG 18 HE ARG 18 3.932 -7.946 -2.280 151 1HH1 ARG 18 1HH1 ARG 18 2.036 -9.213 -0.268 152 2HH1 ARG 18 2HH1 ARG 18 1.271 -10.427 -1.235 153 1HH2 ARG 18 1HH2 ARG 18 2.292 -9.034 -4.252 154 2HH2 ARG 18 2HH2 ARG 18 1.417 -10.326 -3.501 155 H GLY 19 HN GLY 19 5.185 -2.658 -3.360 156 1HA GLY 19 HA2 GLY 19 7.851 -3.380 -4.179 157 2HA GLY 19 HA1 GLY 19 6.907 -2.042 -4.840 158 H LEU 20 HN LEU 20 6.498 -0.576 -2.450 159 HA LEU 20 HA LEU 20 8.879 0.992 -2.276 160 1HB LEU 20 HB2 LEU 20 6.688 1.887 -1.777 161 2HB LEU 20 HB1 LEU 20 6.426 0.679 -0.521 162 HG LEU 20 HG LEU 20 8.238 1.651 0.822 163 1HD1 LEU 20 1HD1 LEU 20 8.523 3.440 -1.594 164 2HD1 LEU 20 2HD1 LEU 20 9.771 2.506 -0.769 165 3HD1 LEU 20 3HD1 LEU 20 9.097 3.946 -0.004 166 1HD2 LEU 20 1HD2 LEU 20 7.129 3.730 1.423 167 2HD2 LEU 20 2HD2 LEU 20 5.897 2.545 0.987 168 3HD2 LEU 20 3HD2 LEU 20 6.346 3.811 -0.155 169 H LYS 21 HN LYS 21 7.562 -1.520 -0.133 170 HA LYS 21 HA LYS 21 9.514 -1.383 1.944 171 1HB LYS 21 HB2 LYS 21 7.319 -2.569 2.000 172 2HB LYS 21 HB1 LYS 21 7.961 -3.761 0.870 173 1HG LYS 21 HG2 LYS 21 9.728 -3.367 3.163 174 2HG LYS 21 HG1 LYS 21 8.116 -3.892 3.649 175 1HD LYS 21 HD2 LYS 21 8.347 -5.947 2.684 176 2HD LYS 21 HD1 LYS 21 9.250 -5.310 1.310 177 1HE LYS 21 HE2 LYS 21 11.301 -5.419 2.434 178 2HE LYS 21 HE1 LYS 21 10.538 -5.350 4.036 179 1HZ LYS 21 HZ1 LYS 21 11.245 -7.610 3.507 180 2HZ LYS 21 HZ2 LYS 21 10.294 -7.599 2.099 181 3HZ LYS 21 HZ3 LYS 21 9.556 -7.523 3.629 182 H LYS 22 HN LYS 22 9.490 -3.136 -1.134 183 HA LYS 22 HA LYS 22 11.890 -4.678 -0.688 184 1HB LYS 22 HB2 LYS 22 10.134 -5.162 -2.379 185 2HB LYS 22 HB1 LYS 22 10.566 -3.684 -3.237 186 1HG LYS 22 HG2 LYS 22 12.937 -5.267 -2.761 187 2HG LYS 22 HG1 LYS 22 11.712 -6.247 -3.567 188 1HD LYS 22 HD2 LYS 22 11.414 -4.160 -5.113 189 2HD LYS 22 HD1 LYS 22 13.006 -3.699 -4.507 190 1HE LYS 22 HE2 LYS 22 13.441 -6.332 -5.126 191 2HE LYS 22 HE1 LYS 22 12.268 -5.873 -6.375 192 1HZ LYS 22 HZ1 LYS 22 14.751 -4.387 -5.681 193 2HZ LYS 22 HZ2 LYS 22 13.603 -3.894 -6.835 194 3HZ LYS 22 HZ3 LYS 22 14.507 -5.312 -7.083 195 H ILE 23 HN ILE 23 11.258 -1.477 -2.080 196 HA ILE 23 HA ILE 23 13.933 -0.951 -3.015 197 HB ILE 23 HB ILE 23 11.614 0.816 -2.174 198 1HG1 ILE 23 2HG1 ILE 23 11.200 -0.670 -4.116 199 2HG1 ILE 23 1HG1 ILE 23 11.248 1.023 -4.603 200 1HG2 ILE 23 1HG2 ILE 23 13.262 2.411 -2.118 201 2HG2 ILE 23 2HG2 ILE 23 13.013 2.380 -3.863 202 3HG2 ILE 23 3HG2 ILE 23 14.348 1.477 -3.147 203 1HD1 ILE 23 1HD1 ILE 23 13.611 -0.869 -4.793 204 2HD1 ILE 23 2HD1 ILE 23 13.527 0.781 -5.411 205 3HD1 ILE 23 3HD1 ILE 23 12.535 -0.484 -6.136 206 H VAL 24 HN VAL 24 12.222 -0.107 -0.005 207 HA VAL 24 HA VAL 24 14.505 1.181 1.242 208 HB VAL 24 HB VAL 24 11.934 -0.022 2.333 209 1HG1 VAL 24 1HG1 VAL 24 14.198 1.443 3.624 210 2HG1 VAL 24 2HG1 VAL 24 13.155 0.184 4.283 211 3HG1 VAL 24 3HG1 VAL 24 12.561 1.839 4.150 212 1HG2 VAL 24 1HG2 VAL 24 11.774 1.892 0.665 213 2HG2 VAL 24 2HG2 VAL 24 12.643 2.885 1.835 214 3HG2 VAL 24 3HG2 VAL 24 11.060 2.220 2.244 215 H LEU 25 HN LEU 25 13.333 -2.109 1.011 216 HA LEU 25 HA LEU 25 14.867 -3.242 3.188 217 1HB LEU 25 HB2 LEU 25 12.945 -4.402 2.394 218 2HB LEU 25 HB1 LEU 25 13.459 -4.269 0.715 219 HG LEU 25 HG LEU 25 15.374 -5.778 1.210 220 1HD1 LEU 25 1HD1 LEU 25 14.090 -5.751 3.944 221 2HD1 LEU 25 2HD1 LEU 25 15.781 -5.475 3.527 222 3HD1 LEU 25 3HD1 LEU 25 15.099 -7.097 3.417 223 1HD2 LEU 25 1HD2 LEU 25 14.100 -7.767 1.127 224 2HD2 LEU 25 2HD2 LEU 25 13.006 -6.541 0.486 225 3HD2 LEU 25 3HD2 LEU 25 12.828 -7.099 2.149 226 H GLY 26 HN GLY 26 15.411 -3.068 -0.365 227 1HA GLY 26 HA2 GLY 26 18.304 -3.010 0.038 228 2HA GLY 26 HA1 GLY 26 17.736 -4.530 -0.653 229 H TRP 27 HN TRP 27 18.241 -1.128 -1.254 230 HA TRP 27 HA TRP 27 17.992 -1.624 -4.169 231 1HB TRP 27 HB2 TRP 27 15.752 -0.934 -3.138 232 2HB TRP 27 HB1 TRP 27 16.496 0.628 -2.803 233 HD1 TRP 27 HD1 TRP 27 15.976 2.328 -4.600 234 HE1 TRP 27 HE1 TRP 27 15.596 2.281 -7.150 235 HE3 TRP 27 HE3 TRP 27 16.558 -2.666 -5.482 236 HZ2 TRP 27 HZ2 TRP 27 15.548 0.373 -9.282 237 HZ3 TRP 27 HZ3 TRP 27 16.343 -3.571 -7.780 238 HH2 TRP 27 HH2 TRP 27 15.838 -2.059 -9.678 239 H ALA 28 HN ALA 28 20.185 -1.099 -4.455 240 HA ALA 28 HA ALA 28 22.093 0.263 -4.673 241 1HB ALA 28 HB1 ALA 28 21.578 2.510 -5.374 242 2HB ALA 28 HB2 ALA 28 20.054 2.501 -4.486 243 3HB ALA 28 HB3 ALA 28 20.244 1.494 -5.921 Start of MODEL 26 1 1H SER 1 HT1 SER 1 -16.283 4.705 11.254 2 2H SER 1 HT2 SER 1 -16.112 3.401 10.178 3 3H SER 1 HT3 SER 1 -17.448 3.471 11.226 4 HA SER 1 HA SER 1 -18.134 4.099 8.999 5 1HB SER 1 HB2 SER 1 -17.957 6.249 11.129 6 2HB SER 1 HB1 SER 1 -18.989 6.388 9.708 7 HG SER 1 HG SER 1 -20.218 5.478 11.303 8 H GLY 2 HN GLY 2 -17.075 4.562 7.111 9 1HA GLY 2 HA2 GLY 2 -15.867 7.119 6.618 10 2HA GLY 2 HA1 GLY 2 -14.606 5.908 6.856 11 H ASN 3 HN ASN 3 -17.764 5.997 5.153 12 HA ASN 3 HA ASN 3 -18.352 5.325 2.970 13 1HB ASN 3 HB2 ASN 3 -16.318 7.076 2.815 14 2HB ASN 3 HB1 ASN 3 -15.514 5.677 2.103 15 1HD2 ASN 3 1HD2 ASN 3 -18.105 8.033 1.623 16 2HD2 ASN 3 2HD2 ASN 3 -18.468 7.575 0.030 17 H TYR 4 HN TYR 4 -17.085 3.871 1.017 18 HA TYR 4 HA TYR 4 -16.392 1.311 2.417 19 1HB TYR 4 HB2 TYR 4 -18.540 1.543 1.067 20 2HB TYR 4 HB1 TYR 4 -17.527 1.720 -0.365 21 HD1 TYR 4 HD1 TYR 4 -17.273 -0.226 -1.611 22 HD2 TYR 4 HD2 TYR 4 -17.599 -0.512 2.664 23 HE1 TYR 4 HE1 TYR 4 -17.052 -2.691 -1.757 24 HE2 TYR 4 HE2 TYR 4 -17.377 -2.976 2.516 25 HH TYR 4 HH TYR 4 -16.142 -4.580 0.287 26 H VAL 5 HN VAL 5 -15.759 3.084 -0.654 27 HA VAL 5 HA VAL 5 -13.526 1.542 -1.504 28 HB VAL 5 HB VAL 5 -13.006 3.533 -2.885 29 1HG1 VAL 5 1HG1 VAL 5 -14.904 3.364 -4.187 30 2HG1 VAL 5 2HG1 VAL 5 -15.994 3.489 -2.808 31 3HG1 VAL 5 3HG1 VAL 5 -15.150 1.974 -3.130 32 1HG2 VAL 5 1HG2 VAL 5 -13.308 5.326 -1.304 33 2HG2 VAL 5 2HG2 VAL 5 -14.993 4.883 -1.035 34 3HG2 VAL 5 3HG2 VAL 5 -14.496 5.561 -2.585 35 H LEU 6 HN LEU 6 -13.657 4.344 0.716 36 HA LEU 6 HA LEU 6 -10.873 4.835 1.013 37 1HB LEU 6 HB2 LEU 6 -13.234 5.766 2.082 38 2HB LEU 6 HB1 LEU 6 -12.532 4.929 3.466 39 HG LEU 6 HG LEU 6 -11.003 6.938 1.790 40 1HD1 LEU 6 1HD1 LEU 6 -12.075 7.511 4.538 41 2HD1 LEU 6 2HD1 LEU 6 -13.117 7.743 3.134 42 3HD1 LEU 6 3HD1 LEU 6 -11.605 8.641 3.268 43 1HD2 LEU 6 1HD2 LEU 6 -9.605 6.973 3.923 44 2HD2 LEU 6 2HD2 LEU 6 -9.531 5.473 2.999 45 3HD2 LEU 6 3HD2 LEU 6 -10.529 5.565 4.450 46 H ASP 7 HN ASP 7 -12.989 2.439 2.562 47 HA ASP 7 HA ASP 7 -11.014 1.333 4.358 48 1HB ASP 7 HB2 ASP 7 -13.692 1.119 4.015 49 2HB ASP 7 HB1 ASP 7 -13.186 -0.345 3.175 50 H LEU 8 HN LEU 8 -12.216 0.379 1.134 51 HA LEU 8 HA LEU 8 -10.538 -1.883 0.700 52 1HB LEU 8 HB2 LEU 8 -12.437 -0.268 -0.686 53 2HB LEU 8 HB1 LEU 8 -11.032 -0.444 -1.735 54 HG LEU 8 HG LEU 8 -11.377 -2.989 -0.639 55 1HD1 LEU 8 1HD1 LEU 8 -13.554 -2.692 0.187 56 2HD1 LEU 8 2HD1 LEU 8 -13.849 -3.337 -1.427 57 3HD1 LEU 8 3HD1 LEU 8 -14.010 -1.608 -1.127 58 1HD2 LEU 8 1HD2 LEU 8 -10.786 -2.231 -3.005 59 2HD2 LEU 8 2HD2 LEU 8 -12.517 -2.041 -3.283 60 3HD2 LEU 8 3HD2 LEU 8 -11.855 -3.630 -2.902 61 H ILE 9 HN ILE 9 -9.876 1.586 0.310 62 HA ILE 9 HA ILE 9 -7.567 1.545 -1.310 63 HB ILE 9 HB ILE 9 -8.407 3.206 1.078 64 1HG1 ILE 9 2HG1 ILE 9 -8.185 3.910 -1.863 65 2HG1 ILE 9 1HG1 ILE 9 -9.665 3.311 -1.121 66 1HG2 ILE 9 1HG2 ILE 9 -5.958 3.505 -0.679 67 2HG2 ILE 9 2HG2 ILE 9 -6.018 3.410 1.081 68 3HG2 ILE 9 3HG2 ILE 9 -6.633 4.841 0.255 69 1HD1 ILE 9 1HD1 ILE 9 -10.072 5.537 -0.792 70 2HD1 ILE 9 2HD1 ILE 9 -8.363 5.963 -0.871 71 3HD1 ILE 9 3HD1 ILE 9 -9.038 5.299 0.617 72 H TYR 10 HN TYR 10 -7.973 0.520 2.029 73 HA TYR 10 HA TYR 10 -5.282 0.448 2.922 74 1HB TYR 10 HB2 TYR 10 -6.290 -0.564 4.706 75 2HB TYR 10 HB1 TYR 10 -7.793 -0.307 3.837 76 HD1 TYR 10 HD1 TYR 10 -9.046 -2.158 2.959 77 HD2 TYR 10 HD2 TYR 10 -5.063 -2.766 4.445 78 HE1 TYR 10 HE1 TYR 10 -9.370 -4.606 2.818 79 HE2 TYR 10 HE2 TYR 10 -5.387 -5.218 4.302 80 HH TYR 10 HH TYR 10 -7.122 -6.749 2.685 81 H SER 11 HN SER 11 -7.118 -2.011 1.065 82 HA SER 11 HA SER 11 -4.910 -3.882 0.836 83 1HB SER 11 HB2 SER 11 -7.443 -4.266 0.606 84 2HB SER 11 HB1 SER 11 -7.305 -3.558 -1.000 85 HG SER 11 HG SER 11 -7.096 -5.920 -0.839 86 H LEU 12 HN LEU 12 -6.223 -1.281 -1.203 87 HA LEU 12 HA LEU 12 -4.575 -1.648 -3.509 88 1HB LEU 12 HB2 LEU 12 -6.463 -0.226 -3.671 89 2HB LEU 12 HB1 LEU 12 -6.051 0.632 -2.190 90 HG LEU 12 HG LEU 12 -4.065 1.603 -3.343 91 1HD1 LEU 12 1HD1 LEU 12 -4.130 1.431 -5.894 92 2HD1 LEU 12 2HD1 LEU 12 -5.237 0.075 -5.678 93 3HD1 LEU 12 3HD1 LEU 12 -3.595 -0.016 -5.040 94 1HD2 LEU 12 1HD2 LEU 12 -6.505 2.571 -3.340 95 2HD2 LEU 12 2HD2 LEU 12 -6.472 2.171 -5.057 96 3HD2 LEU 12 3HD2 LEU 12 -5.291 3.299 -4.392 97 H HIS 13 HN HIS 13 -4.090 0.101 -0.477 98 HA HIS 13 HA HIS 13 -1.584 1.347 -1.177 99 1HB HIS 13 HB2 HIS 13 -3.382 1.743 0.729 100 2HB HIS 13 HB1 HIS 13 -2.365 0.618 1.629 101 HD1 HIS 13 HD1 HIS 13 -0.028 1.420 2.336 102 HD2 HIS 13 HD2 HIS 13 -2.102 4.230 0.063 103 HE1 HIS 13 HE1 HIS 13 1.282 3.582 2.500 104 H LYS 14 HN LYS 14 -2.436 -1.823 0.151 105 HA LYS 14 HA LYS 14 0.113 -2.600 1.176 106 1HB LYS 14 HB2 LYS 14 -2.148 -4.156 -0.118 107 2HB LYS 14 HB1 LYS 14 -0.795 -4.922 0.708 108 1HG LYS 14 HG2 LYS 14 -3.010 -3.251 1.862 109 2HG LYS 14 HG1 LYS 14 -2.405 -4.812 2.400 110 1HD LYS 14 HD2 LYS 14 -0.256 -3.675 3.053 111 2HD LYS 14 HD1 LYS 14 -1.025 -2.131 2.686 112 1HE LYS 14 HE2 LYS 14 -2.424 -2.231 4.528 113 2HE LYS 14 HE1 LYS 14 -2.480 -4.005 4.518 114 1HZ LYS 14 HZ1 LYS 14 -1.089 -3.279 6.326 115 2HZ LYS 14 HZ2 LYS 14 -0.155 -2.313 5.284 116 3HZ LYS 14 HZ3 LYS 14 -0.112 -4.007 5.146 117 H GLN 15 HN GLN 15 -1.234 -2.723 -2.093 118 HA GLN 15 HA GLN 15 0.854 -4.215 -3.360 119 1HB GLN 15 HB2 GLN 15 -1.235 -2.217 -4.185 120 2HB GLN 15 HB1 GLN 15 -0.030 -2.731 -5.367 121 1HG GLN 15 HG2 GLN 15 -0.766 -4.944 -5.359 122 2HG GLN 15 HG1 GLN 15 -1.479 -4.807 -3.752 123 1HE2 GLN 15 1HE2 GLN 15 -2.100 -4.414 -7.169 124 2HE2 GLN 15 2HE2 GLN 15 -3.712 -3.903 -7.020 125 H ILE 16 HN ILE 16 0.424 -0.730 -2.843 126 HA ILE 16 HA ILE 16 2.878 0.089 -4.137 127 HB ILE 16 HB ILE 16 1.067 1.362 -2.057 128 1HG1 ILE 16 2HG1 ILE 16 1.177 2.387 -4.829 129 2HG1 ILE 16 1HG1 ILE 16 0.524 0.757 -4.677 130 1HG2 ILE 16 1HG2 ILE 16 2.916 2.715 -1.815 131 2HG2 ILE 16 2HG2 ILE 16 2.215 3.474 -3.243 132 3HG2 ILE 16 3HG2 ILE 16 3.543 2.326 -3.417 133 1HD1 ILE 16 1HD1 ILE 16 -0.700 2.079 -2.587 134 2HD1 ILE 16 2HD1 ILE 16 -1.432 1.780 -4.162 135 3HD1 ILE 16 3HD1 ILE 16 -0.638 3.320 -3.838 136 H ASN 17 HN ASN 17 1.986 -0.821 -0.847 137 HA ASN 17 HA ASN 17 4.378 -0.011 0.512 138 1HB ASN 17 HB2 ASN 17 1.936 -1.458 0.997 139 2HB ASN 17 HB1 ASN 17 3.280 -2.368 1.687 140 1HD2 ASN 17 1HD2 ASN 17 2.039 1.020 1.552 141 2HD2 ASN 17 2HD2 ASN 17 2.534 1.416 3.126 142 H ARG 18 HN ARG 18 3.517 -3.039 -1.185 143 HA ARG 18 HA ARG 18 5.844 -4.546 -0.435 144 1HB ARG 18 HB2 ARG 18 3.857 -4.579 -2.708 145 2HB ARG 18 HB1 ARG 18 5.196 -5.727 -2.669 146 1HG ARG 18 HG2 ARG 18 4.269 -6.932 -0.985 147 2HG ARG 18 HG1 ARG 18 3.772 -5.486 -0.105 148 1HD ARG 18 HD2 ARG 18 1.649 -5.751 -0.840 149 2HD ARG 18 HD1 ARG 18 2.209 -5.698 -2.523 150 HE ARG 18 HE ARG 18 2.109 -8.184 -0.859 151 1HH1 ARG 18 1HH1 ARG 18 0.454 -7.200 -3.394 152 2HH1 ARG 18 2HH1 ARG 18 1.080 -8.309 -4.569 153 1HH2 ARG 18 1HH2 ARG 18 3.737 -9.328 -2.569 154 2HH2 ARG 18 2HH2 ARG 18 2.949 -9.518 -4.099 155 H GLY 19 HN GLY 19 5.152 -2.543 -3.328 156 1HA GLY 19 HA2 GLY 19 7.790 -2.852 -4.474 157 2HA GLY 19 HA1 GLY 19 6.607 -1.626 -4.935 158 H LEU 20 HN LEU 20 6.367 -0.649 -2.129 159 HA LEU 20 HA LEU 20 8.559 1.281 -2.178 160 1HB LEU 20 HB2 LEU 20 6.348 1.994 -1.560 161 2HB LEU 20 HB1 LEU 20 6.191 0.693 -0.384 162 HG LEU 20 HG LEU 20 8.028 1.717 0.949 163 1HD1 LEU 20 1HD1 LEU 20 8.713 4.040 0.385 164 2HD1 LEU 20 2HD1 LEU 20 7.782 3.934 -1.110 165 3HD1 LEU 20 3HD1 LEU 20 9.186 2.893 -0.869 166 1HD2 LEU 20 1HD2 LEU 20 5.651 2.244 1.425 167 2HD2 LEU 20 2HD2 LEU 20 5.741 3.607 0.310 168 3HD2 LEU 20 3HD2 LEU 20 6.702 3.613 1.787 169 H LYS 21 HN LYS 21 7.630 -1.507 -0.210 170 HA LYS 21 HA LYS 21 9.605 -1.218 1.854 171 1HB LYS 21 HB2 LYS 21 7.560 -2.588 2.006 172 2HB LYS 21 HB1 LYS 21 8.176 -3.654 0.744 173 1HG LYS 21 HG2 LYS 21 10.190 -3.409 2.769 174 2HG LYS 21 HG1 LYS 21 8.660 -3.796 3.555 175 1HD LYS 21 HD2 LYS 21 9.470 -5.302 1.084 176 2HD LYS 21 HD1 LYS 21 10.178 -5.741 2.638 177 1HE LYS 21 HE2 LYS 21 8.237 -6.680 3.386 178 2HE LYS 21 HE1 LYS 21 7.245 -5.369 2.720 179 1HZ LYS 21 HZ1 LYS 21 8.622 -7.214 0.883 180 2HZ LYS 21 HZ2 LYS 21 7.194 -6.327 0.645 181 3HZ LYS 21 HZ3 LYS 21 7.181 -7.716 1.622 182 H LYS 22 HN LYS 22 9.587 -3.258 -1.093 183 HA LYS 22 HA LYS 22 12.141 -4.447 -0.753 184 1HB LYS 22 HB2 LYS 22 12.000 -4.795 -3.219 185 2HB LYS 22 HB1 LYS 22 10.488 -5.179 -2.401 186 1HG LYS 22 HG2 LYS 22 9.491 -3.790 -3.876 187 2HG LYS 22 HG1 LYS 22 10.240 -2.470 -2.980 188 1HD LYS 22 HD2 LYS 22 11.312 -1.948 -4.897 189 2HD LYS 22 HD1 LYS 22 12.291 -3.388 -4.622 190 1HE LYS 22 HE2 LYS 22 10.143 -4.565 -5.755 191 2HE LYS 22 HE1 LYS 22 10.038 -2.973 -6.531 192 1HZ LYS 22 HZ1 LYS 22 11.515 -4.412 -7.782 193 2HZ LYS 22 HZ2 LYS 22 12.459 -4.698 -6.399 194 3HZ LYS 22 HZ3 LYS 22 12.402 -3.144 -7.086 195 H ILE 23 HN ILE 23 11.325 -1.201 -1.830 196 HA ILE 23 HA ILE 23 13.862 -0.549 -3.052 197 HB ILE 23 HB ILE 23 11.588 1.025 -1.818 198 1HG1 ILE 23 2HG1 ILE 23 12.531 0.974 -4.690 199 2HG1 ILE 23 1HG1 ILE 23 11.421 -0.245 -4.063 200 1HG2 ILE 23 1HG2 ILE 23 13.275 2.595 -1.513 201 2HG2 ILE 23 2HG2 ILE 23 12.812 2.945 -3.178 202 3HG2 ILE 23 3HG2 ILE 23 14.243 1.968 -2.848 203 1HD1 ILE 23 1HD1 ILE 23 10.979 2.691 -4.465 204 2HD1 ILE 23 2HD1 ILE 23 10.103 1.870 -3.172 205 3HD1 ILE 23 3HD1 ILE 23 9.913 1.339 -4.843 206 H VAL 24 HN VAL 24 12.521 0.022 0.200 207 HA VAL 24 HA VAL 24 15.028 1.078 1.271 208 HB VAL 24 HB VAL 24 12.423 0.136 2.522 209 1HG1 VAL 24 1HG1 VAL 24 13.753 0.118 4.397 210 2HG1 VAL 24 2HG1 VAL 24 13.441 1.852 4.334 211 3HG1 VAL 24 3HG1 VAL 24 14.949 1.204 3.690 212 1HG2 VAL 24 1HG2 VAL 24 13.502 2.868 1.761 213 2HG2 VAL 24 2HG2 VAL 24 12.067 2.627 2.757 214 3HG2 VAL 24 3HG2 VAL 24 12.088 2.058 1.087 215 H LEU 25 HN LEU 25 13.362 -2.027 1.212 216 HA LEU 25 HA LEU 25 14.986 -3.411 3.147 217 1HB LEU 25 HB2 LEU 25 12.778 -4.169 2.405 218 2HB LEU 25 HB1 LEU 25 13.357 -4.324 0.749 219 HG LEU 25 HG LEU 25 15.099 -5.970 1.712 220 1HD1 LEU 25 1HD1 LEU 25 14.798 -5.459 4.076 221 2HD1 LEU 25 2HD1 LEU 25 14.298 -7.124 3.787 222 3HD1 LEU 25 3HD1 LEU 25 13.083 -5.860 3.977 223 1HD2 LEU 25 1HD2 LEU 25 13.390 -6.857 0.329 224 2HD2 LEU 25 2HD2 LEU 25 12.132 -6.503 1.516 225 3HD2 LEU 25 3HD2 LEU 25 13.286 -7.805 1.814 226 H GLY 26 HN GLY 26 15.240 -2.984 -0.391 227 1HA GLY 26 HA2 GLY 26 17.614 -4.681 -0.590 228 2HA GLY 26 HA1 GLY 26 16.925 -3.707 -1.887 229 H TRP 27 HN TRP 27 16.947 -1.170 -0.603 230 HA TRP 27 HA TRP 27 19.880 -0.622 -0.628 231 1HB TRP 27 HB2 TRP 27 18.326 0.526 -2.207 232 2HB TRP 27 HB1 TRP 27 17.461 1.206 -0.829 233 HD1 TRP 27 HD1 TRP 27 18.548 3.201 0.454 234 HE1 TRP 27 HE1 TRP 27 20.590 4.704 -0.013 235 HE3 TRP 27 HE3 TRP 27 20.787 0.517 -3.271 236 HZ2 TRP 27 HZ2 TRP 27 22.870 4.761 -1.738 237 HZ3 TRP 27 HZ3 TRP 27 22.891 1.319 -4.306 238 HH2 TRP 27 HH2 TRP 27 23.935 3.435 -3.546 239 H ALA 28 HN ALA 28 20.687 -0.783 1.448 240 HA ALA 28 HA ALA 28 20.988 -0.356 3.742 241 1HB ALA 28 HB1 ALA 28 21.034 1.927 2.744 242 2HB ALA 28 HB2 ALA 28 20.381 1.939 4.383 243 3HB ALA 28 HB3 ALA 28 19.293 2.054 3.000 Start of MODEL 27 1 1H SER 1 HT1 SER 1 -14.966 8.438 10.415 2 2H SER 1 HT2 SER 1 -14.430 7.927 8.885 3 3H SER 1 HT3 SER 1 -13.943 7.091 10.281 4 HA SER 1 HA SER 1 -16.356 6.549 10.685 5 1HB SER 1 HB2 SER 1 -16.507 7.545 7.820 6 2HB SER 1 HB1 SER 1 -17.845 6.934 8.790 7 HG SER 1 HG SER 1 -18.052 8.908 9.456 8 H GLY 2 HN GLY 2 -14.939 6.271 7.390 9 1HA GLY 2 HA2 GLY 2 -13.571 4.005 7.273 10 2HA GLY 2 HA1 GLY 2 -15.160 3.316 7.608 11 H ASN 3 HN ASN 3 -16.925 4.500 6.086 12 HA ASN 3 HA ASN 3 -17.747 4.785 3.893 13 1HB ASN 3 HB2 ASN 3 -15.643 6.390 4.072 14 2HB ASN 3 HB1 ASN 3 -14.932 5.235 2.944 15 1HD2 ASN 3 1HD2 ASN 3 -17.731 7.443 3.352 16 2HD2 ASN 3 2HD2 ASN 3 -18.039 7.605 1.690 17 H TYR 4 HN TYR 4 -16.900 3.982 1.434 18 HA TYR 4 HA TYR 4 -16.450 1.054 1.808 19 1HB TYR 4 HB2 TYR 4 -18.367 2.523 0.461 20 2HB TYR 4 HB1 TYR 4 -17.254 2.081 -0.833 21 HD1 TYR 4 HD1 TYR 4 -16.835 -0.272 -1.395 22 HD2 TYR 4 HD2 TYR 4 -19.605 0.829 1.700 23 HE1 TYR 4 HE1 TYR 4 -17.758 -2.572 -1.402 24 HE2 TYR 4 HE2 TYR 4 -20.528 -1.472 1.691 25 HH TYR 4 HH TYR 4 -19.174 -3.991 0.721 26 H VAL 5 HN VAL 5 -15.572 3.635 -0.547 27 HA VAL 5 HA VAL 5 -13.427 2.119 -1.740 28 HB VAL 5 HB VAL 5 -12.876 4.277 -2.803 29 1HG1 VAL 5 1HG1 VAL 5 -14.874 4.511 -4.010 30 2HG1 VAL 5 2HG1 VAL 5 -15.878 4.214 -2.591 31 3HG1 VAL 5 3HG1 VAL 5 -15.008 2.882 -3.349 32 1HG2 VAL 5 1HG2 VAL 5 -13.052 5.836 -0.995 33 2HG2 VAL 5 2HG2 VAL 5 -14.726 5.383 -0.675 34 3HG2 VAL 5 3HG2 VAL 5 -14.319 6.278 -2.138 35 H LEU 6 HN LEU 6 -13.451 4.603 0.854 36 HA LEU 6 HA LEU 6 -10.609 4.799 1.186 37 1HB LEU 6 HB2 LEU 6 -12.753 6.068 2.200 38 2HB LEU 6 HB1 LEU 6 -12.456 4.957 3.537 39 HG LEU 6 HG LEU 6 -10.234 6.616 2.338 40 1HD1 LEU 6 1HD1 LEU 6 -10.618 8.302 4.028 41 2HD1 LEU 6 2HD1 LEU 6 -11.930 7.361 4.738 42 3HD1 LEU 6 3HD1 LEU 6 -12.125 8.079 3.139 43 1HD2 LEU 6 1HD2 LEU 6 -10.637 4.835 4.691 44 2HD2 LEU 6 2HD2 LEU 6 -9.653 6.275 4.955 45 3HD2 LEU 6 3HD2 LEU 6 -9.190 5.105 3.720 46 H ASP 7 HN ASP 7 -13.036 2.643 2.671 47 HA ASP 7 HA ASP 7 -11.227 1.209 4.394 48 1HB ASP 7 HB2 ASP 7 -13.988 1.147 3.502 49 2HB ASP 7 HB1 ASP 7 -13.331 -0.488 3.530 50 H LEU 8 HN LEU 8 -12.122 0.889 0.983 51 HA LEU 8 HA LEU 8 -10.807 -1.686 0.568 52 1HB LEU 8 HB2 LEU 8 -12.525 0.143 -0.805 53 2HB LEU 8 HB1 LEU 8 -11.127 -0.157 -1.836 54 HG LEU 8 HG LEU 8 -11.713 -2.673 -0.836 55 1HD1 LEU 8 1HD1 LEU 8 -14.295 -1.217 -1.495 56 2HD1 LEU 8 2HD1 LEU 8 -13.840 -1.849 0.088 57 3HD1 LEU 8 3HD1 LEU 8 -14.139 -2.957 -1.251 58 1HD2 LEU 8 1HD2 LEU 8 -11.082 -2.235 -3.136 59 2HD2 LEU 8 2HD2 LEU 8 -12.559 -1.311 -3.413 60 3HD2 LEU 8 3HD2 LEU 8 -12.644 -3.053 -3.154 61 H ILE 9 HN ILE 9 -9.860 1.723 0.292 62 HA ILE 9 HA ILE 9 -7.539 1.583 -1.291 63 HB ILE 9 HB ILE 9 -8.318 3.161 1.166 64 1HG1 ILE 9 2HG1 ILE 9 -9.434 3.460 -1.115 65 2HG1 ILE 9 1HG1 ILE 9 -8.756 4.916 -0.394 66 1HG2 ILE 9 1HG2 ILE 9 -6.376 4.705 0.422 67 2HG2 ILE 9 2HG2 ILE 9 -5.741 3.279 -0.398 68 3HG2 ILE 9 3HG2 ILE 9 -5.967 3.262 1.351 69 1HD1 ILE 9 1HD1 ILE 9 -6.896 4.913 -1.852 70 2HD1 ILE 9 2HD1 ILE 9 -8.242 4.454 -2.894 71 3HD1 ILE 9 3HD1 ILE 9 -7.134 3.222 -2.292 72 H TYR 10 HN TYR 10 -8.065 0.372 1.955 73 HA TYR 10 HA TYR 10 -5.397 0.053 2.879 74 1HB TYR 10 HB2 TYR 10 -6.533 -0.938 4.591 75 2HB TYR 10 HB1 TYR 10 -7.991 -0.552 3.692 76 HD1 TYR 10 HD1 TYR 10 -9.145 -2.283 2.349 77 HD2 TYR 10 HD2 TYR 10 -5.636 -3.203 4.648 78 HE1 TYR 10 HE1 TYR 10 -9.636 -4.699 2.127 79 HE2 TYR 10 HE2 TYR 10 -6.125 -5.622 4.422 80 HH TYR 10 HH TYR 10 -8.761 -6.921 3.862 81 H SER 11 HN SER 11 -7.367 -2.052 0.773 82 HA SER 11 HA SER 11 -5.308 -4.109 0.489 83 1HB SER 11 HB2 SER 11 -7.841 -4.348 0.285 84 2HB SER 11 HB1 SER 11 -7.717 -3.516 -1.261 85 HG SER 11 HG SER 11 -7.616 -5.752 -1.570 86 H LEU 12 HN LEU 12 -6.206 -1.142 -1.150 87 HA LEU 12 HA LEU 12 -4.641 -1.632 -3.565 88 1HB LEU 12 HB2 LEU 12 -6.571 -0.214 -3.680 89 2HB LEU 12 HB1 LEU 12 -6.048 0.722 -2.283 90 HG LEU 12 HG LEU 12 -4.126 1.578 -3.575 91 1HD1 LEU 12 1HD1 LEU 12 -4.323 1.165 -6.134 92 2HD1 LEU 12 2HD1 LEU 12 -5.298 -0.234 -5.684 93 3HD1 LEU 12 3HD1 LEU 12 -3.625 -0.115 -5.142 94 1HD2 LEU 12 1HD2 LEU 12 -5.725 2.626 -5.486 95 2HD2 LEU 12 2HD2 LEU 12 -5.789 3.142 -3.802 96 3HD2 LEU 12 3HD2 LEU 12 -6.955 1.966 -4.409 97 H HIS 13 HN HIS 13 -4.181 -0.015 -0.464 98 HA HIS 13 HA HIS 13 -1.682 1.290 -1.132 99 1HB HIS 13 HB2 HIS 13 -3.494 1.649 0.771 100 2HB HIS 13 HB1 HIS 13 -2.466 0.524 1.660 101 HD1 HIS 13 HD1 HIS 13 -2.566 3.999 0.308 102 HD2 HIS 13 HD2 HIS 13 0.206 1.492 2.154 103 HE1 HIS 13 HE1 HIS 13 -0.609 5.462 0.974 104 H LYS 14 HN LYS 14 -2.499 -1.840 0.407 105 HA LYS 14 HA LYS 14 0.114 -2.539 1.289 106 1HB LYS 14 HB2 LYS 14 -0.779 -4.790 1.390 107 2HB LYS 14 HB1 LYS 14 -2.076 -3.675 1.811 108 1HG LYS 14 HG2 LYS 14 -3.284 -4.766 0.236 109 2HG LYS 14 HG1 LYS 14 -2.326 -3.857 -0.931 110 1HD LYS 14 HD2 LYS 14 -0.956 -5.654 -1.422 111 2HD LYS 14 HD1 LYS 14 -1.163 -6.382 0.171 112 1HE LYS 14 HE2 LYS 14 -3.707 -6.240 -1.255 113 2HE LYS 14 HE1 LYS 14 -2.495 -7.160 -2.168 114 1HZ LYS 14 HZ1 LYS 14 -3.622 -8.568 -0.542 115 2HZ LYS 14 HZ2 LYS 14 -3.138 -7.532 0.714 116 3HZ LYS 14 HZ3 LYS 14 -1.976 -8.411 -0.164 117 H GLN 15 HN GLN 15 -1.245 -2.511 -1.937 118 HA GLN 15 HA GLN 15 0.697 -4.250 -3.204 119 1HB GLN 15 HB2 GLN 15 -1.187 -2.065 -4.125 120 2HB GLN 15 HB1 GLN 15 -0.153 -2.937 -5.256 121 1HG GLN 15 HG2 GLN 15 -1.169 -5.056 -4.633 122 2HG GLN 15 HG1 GLN 15 -2.112 -4.273 -3.365 123 1HE2 GLN 15 1HE2 GLN 15 -1.884 -4.776 -6.857 124 2HE2 GLN 15 2HE2 GLN 15 -3.371 -4.053 -7.237 125 H ILE 16 HN ILE 16 0.425 -0.739 -2.754 126 HA ILE 16 HA ILE 16 2.875 -0.034 -4.106 127 HB ILE 16 HB ILE 16 1.213 1.338 -1.963 128 1HG1 ILE 16 2HG1 ILE 16 1.187 2.341 -4.735 129 2HG1 ILE 16 1HG1 ILE 16 0.527 0.715 -4.562 130 1HG2 ILE 16 1HG2 ILE 16 3.198 2.552 -1.876 131 2HG2 ILE 16 2HG2 ILE 16 2.346 3.401 -3.164 132 3HG2 ILE 16 3HG2 ILE 16 3.595 2.222 -3.562 133 1HD1 ILE 16 1HD1 ILE 16 -0.890 1.588 -2.663 134 2HD1 ILE 16 2HD1 ILE 16 -1.291 2.265 -4.241 135 3HD1 ILE 16 3HD1 ILE 16 -0.349 3.211 -3.088 136 H ASN 17 HN ASN 17 2.063 -0.967 -0.804 137 HA ASN 17 HA ASN 17 4.526 -0.231 0.484 138 1HB ASN 17 HB2 ASN 17 2.117 -1.120 1.270 139 2HB ASN 17 HB1 ASN 17 2.982 -2.654 1.309 140 1HD2 ASN 17 1HD2 ASN 17 3.152 0.707 2.579 141 2HD2 ASN 17 2HD2 ASN 17 4.053 0.298 3.958 142 H ARG 18 HN ARG 18 3.464 -3.212 -1.164 143 HA ARG 18 HA ARG 18 5.599 -4.950 -0.566 144 1HB ARG 18 HB2 ARG 18 3.647 -4.540 -2.773 145 2HB ARG 18 HB1 ARG 18 5.024 -5.576 -3.144 146 1HG ARG 18 HG2 ARG 18 4.324 -7.228 -1.748 147 2HG ARG 18 HG1 ARG 18 3.773 -6.088 -0.518 148 1HD ARG 18 HD2 ARG 18 1.841 -5.544 -2.166 149 2HD ARG 18 HD1 ARG 18 2.297 -7.061 -2.967 150 HE ARG 18 HE ARG 18 1.216 -6.817 -0.221 151 1HH1 ARG 18 1HH1 ARG 18 0.249 -8.735 -2.378 152 2HH1 ARG 18 2HH1 ARG 18 0.893 -10.240 -1.812 153 1HH2 ARG 18 1HH2 ARG 18 3.125 -8.754 0.398 154 2HH2 ARG 18 2HH2 ARG 18 2.529 -10.252 -0.237 155 H GLY 19 HN GLY 19 5.404 -2.524 -3.195 156 1HA GLY 19 HA2 GLY 19 8.163 -3.037 -4.043 157 2HA GLY 19 HA1 GLY 19 7.106 -1.766 -4.664 158 H LEU 20 HN LEU 20 6.424 -0.624 -2.112 159 HA LEU 20 HA LEU 20 8.492 1.290 -1.743 160 1HB LEU 20 HB2 LEU 20 6.146 1.628 -1.143 161 2HB LEU 20 HB1 LEU 20 6.239 0.336 0.050 162 HG LEU 20 HG LEU 20 8.069 1.697 1.192 163 1HD1 LEU 20 1HD1 LEU 20 7.701 4.236 0.625 164 2HD1 LEU 20 2HD1 LEU 20 7.140 3.617 -0.929 165 3HD1 LEU 20 3HD1 LEU 20 8.782 3.274 -0.384 166 1HD2 LEU 20 1HD2 LEU 20 5.718 1.571 2.000 167 2HD2 LEU 20 2HD2 LEU 20 5.316 2.959 0.988 168 3HD2 LEU 20 3HD2 LEU 20 6.447 3.142 2.329 169 H LYS 21 HN LYS 21 7.753 -1.672 0.101 170 HA LYS 21 HA LYS 21 9.870 -1.269 2.048 171 1HB LYS 21 HB2 LYS 21 9.112 -3.325 2.920 172 2HB LYS 21 HB1 LYS 21 7.673 -2.668 2.145 173 1HG LYS 21 HG2 LYS 21 8.566 -3.994 0.044 174 2HG LYS 21 HG1 LYS 21 9.440 -4.927 1.256 175 1HD LYS 21 HD2 LYS 21 6.538 -4.393 1.730 176 2HD LYS 21 HD1 LYS 21 6.967 -5.592 0.511 177 1HE LYS 21 HE2 LYS 21 7.393 -7.105 2.138 178 2HE LYS 21 HE1 LYS 21 8.610 -6.021 2.840 179 1HZ LYS 21 HZ1 LYS 21 6.938 -4.854 4.035 180 2HZ LYS 21 HZ2 LYS 21 6.684 -6.507 4.331 181 3HZ LYS 21 HZ3 LYS 21 5.685 -5.675 3.237 182 H LYS 22 HN LYS 22 9.694 -2.823 -1.104 183 HA LYS 22 HA LYS 22 12.156 -4.340 -0.897 184 1HB LYS 22 HB2 LYS 22 10.280 -4.770 -2.487 185 2HB LYS 22 HB1 LYS 22 10.658 -3.255 -3.307 186 1HG LYS 22 HG2 LYS 22 12.978 -5.042 -2.954 187 2HG LYS 22 HG1 LYS 22 11.712 -5.698 -3.993 188 1HD LYS 22 HD2 LYS 22 12.512 -2.846 -4.406 189 2HD LYS 22 HD1 LYS 22 13.615 -4.101 -4.970 190 1HE LYS 22 HE2 LYS 22 10.776 -4.583 -5.663 191 2HE LYS 22 HE1 LYS 22 11.505 -3.168 -6.449 192 1HZ LYS 22 HZ1 LYS 22 12.791 -5.846 -6.317 193 2HZ LYS 22 HZ2 LYS 22 13.338 -4.491 -7.185 194 3HZ LYS 22 HZ3 LYS 22 11.913 -5.285 -7.655 195 H ILE 23 HN ILE 23 11.341 -1.102 -2.117 196 HA ILE 23 HA ILE 23 13.905 -0.436 -3.213 197 HB ILE 23 HB ILE 23 11.679 1.232 -1.988 198 1HG1 ILE 23 2HG1 ILE 23 12.316 0.980 -4.920 199 2HG1 ILE 23 1HG1 ILE 23 11.382 -0.284 -4.120 200 1HG2 ILE 23 1HG2 ILE 23 13.932 2.144 -3.806 201 2HG2 ILE 23 2HG2 ILE 23 13.884 2.432 -2.067 202 3HG2 ILE 23 3HG2 ILE 23 12.661 3.151 -3.115 203 1HD1 ILE 23 1HD1 ILE 23 9.826 1.331 -5.032 204 2HD1 ILE 23 2HD1 ILE 23 10.695 2.663 -4.268 205 3HD1 ILE 23 3HD1 ILE 23 9.821 1.495 -3.276 206 H VAL 24 HN VAL 24 12.491 0.161 0.001 207 HA VAL 24 HA VAL 24 14.855 1.383 1.143 208 HB VAL 24 HB VAL 24 12.324 0.109 2.211 209 1HG1 VAL 24 1HG1 VAL 24 13.538 -0.203 4.131 210 2HG1 VAL 24 2HG1 VAL 24 13.220 1.519 4.336 211 3HG1 VAL 24 3HG1 VAL 24 14.763 0.981 3.674 212 1HG2 VAL 24 1HG2 VAL 24 12.037 2.255 1.096 213 2HG2 VAL 24 2HG2 VAL 24 13.358 2.958 2.031 214 3HG2 VAL 24 3HG2 VAL 24 11.857 2.495 2.834 215 H LEU 25 HN LEU 25 13.585 -1.912 1.011 216 HA LEU 25 HA LEU 25 15.459 -3.154 2.802 217 1HB LEU 25 HB2 LEU 25 13.375 -4.205 2.162 218 2HB LEU 25 HB1 LEU 25 13.794 -4.116 0.453 219 HG LEU 25 HG LEU 25 15.649 -5.685 0.807 220 1HD1 LEU 25 1HD1 LEU 25 15.622 -6.870 3.118 221 2HD1 LEU 25 2HD1 LEU 25 14.760 -5.439 3.681 222 3HD1 LEU 25 3HD1 LEU 25 16.386 -5.284 3.015 223 1HD2 LEU 25 1HD2 LEU 25 12.999 -6.611 1.961 224 2HD2 LEU 25 2HD2 LEU 25 14.282 -7.688 1.408 225 3HD2 LEU 25 3HD2 LEU 25 13.463 -6.630 0.260 226 H GLY 26 HN GLY 26 15.575 -2.361 -0.652 227 1HA GLY 26 HA2 GLY 26 18.079 -3.838 -1.069 228 2HA GLY 26 HA1 GLY 26 17.241 -2.857 -2.270 229 H TRP 27 HN TRP 27 17.089 -0.387 -0.974 230 HA TRP 27 HA TRP 27 19.962 0.294 -0.418 231 1HB TRP 27 HB2 TRP 27 17.957 1.484 -2.340 232 2HB TRP 27 HB1 TRP 27 19.346 2.415 -1.782 233 HD1 TRP 27 HD1 TRP 27 21.759 1.630 -2.546 234 HE1 TRP 27 HE1 TRP 27 22.552 0.079 -4.449 235 HE3 TRP 27 HE3 TRP 27 17.346 -0.652 -3.721 236 HZ2 TRP 27 HZ2 TRP 27 21.457 -1.874 -6.230 237 HZ3 TRP 27 HZ3 TRP 27 17.248 -2.352 -5.521 238 HH2 TRP 27 HH2 TRP 27 19.297 -2.966 -6.776 239 H ALA 28 HN ALA 28 20.247 1.680 1.297 240 HA ALA 28 HA ALA 28 19.759 3.064 3.132 241 1HB ALA 28 HB1 ALA 28 17.313 3.845 1.521 242 2HB ALA 28 HB2 ALA 28 18.934 4.411 1.121 243 3HB ALA 28 HB3 ALA 28 18.210 4.837 2.672 Start of MODEL 28 1 1H SER 1 HT1 SER 1 -22.573 8.795 -1.318 2 2H SER 1 HT2 SER 1 -22.518 10.416 -0.815 3 3H SER 1 HT3 SER 1 -21.933 9.187 0.203 4 HA SER 1 HA SER 1 -20.736 10.181 -2.330 5 1HB SER 1 HB2 SER 1 -20.446 11.276 -0.019 6 2HB SER 1 HB1 SER 1 -19.568 9.820 0.441 7 HG SER 1 HG SER 1 -18.018 11.108 -0.357 8 H GLY 2 HN GLY 2 -20.075 7.824 0.319 9 1HA GLY 2 HA2 GLY 2 -19.856 5.410 -0.265 10 2HA GLY 2 HA1 GLY 2 -19.106 5.920 -1.778 11 H ASN 3 HN ASN 3 -18.643 6.075 1.760 12 HA ASN 3 HA ASN 3 -15.814 6.782 1.529 13 1HB ASN 3 HB2 ASN 3 -17.859 6.311 3.613 14 2HB ASN 3 HB1 ASN 3 -16.211 5.916 4.097 15 1HD2 ASN 3 1HD2 ASN 3 -14.974 7.670 4.813 16 2HD2 ASN 3 2HD2 ASN 3 -15.315 9.297 4.474 17 H TYR 4 HN TYR 4 -17.491 3.838 1.140 18 HA TYR 4 HA TYR 4 -15.855 1.918 2.426 19 1HB TYR 4 HB2 TYR 4 -16.889 0.378 0.906 20 2HB TYR 4 HB1 TYR 4 -18.072 1.653 1.185 21 HD1 TYR 4 HD1 TYR 4 -15.730 0.169 -1.238 22 HD2 TYR 4 HD2 TYR 4 -18.607 3.289 -0.565 23 HE1 TYR 4 HE1 TYR 4 -15.818 0.614 -3.674 24 HE2 TYR 4 HE2 TYR 4 -18.692 3.734 -3.003 25 HH TYR 4 HH TYR 4 -16.799 3.240 -5.031 26 H VAL 5 HN VAL 5 -15.197 3.849 -0.451 27 HA VAL 5 HA VAL 5 -13.116 2.235 -1.600 28 HB VAL 5 HB VAL 5 -12.471 4.371 -2.703 29 1HG1 VAL 5 1HG1 VAL 5 -15.468 3.975 -2.455 30 2HG1 VAL 5 2HG1 VAL 5 -14.401 3.114 -3.564 31 3HG1 VAL 5 3HG1 VAL 5 -14.655 4.849 -3.752 32 1HG2 VAL 5 1HG2 VAL 5 -13.925 6.398 -2.110 33 2HG2 VAL 5 2HG2 VAL 5 -12.661 5.984 -0.953 34 3HG2 VAL 5 3HG2 VAL 5 -14.337 5.544 -0.624 35 H LEU 6 HN LEU 6 -13.025 4.807 0.899 36 HA LEU 6 HA LEU 6 -10.184 4.925 1.236 37 1HB LEU 6 HB2 LEU 6 -12.577 5.398 3.035 38 2HB LEU 6 HB1 LEU 6 -10.930 5.678 3.597 39 HG LEU 6 HG LEU 6 -11.218 6.895 1.017 40 1HD1 LEU 6 1HD1 LEU 6 -13.259 7.865 3.035 41 2HD1 LEU 6 2HD1 LEU 6 -13.669 6.853 1.650 42 3HD1 LEU 6 3HD1 LEU 6 -13.005 8.466 1.397 43 1HD2 LEU 6 1HD2 LEU 6 -9.687 7.465 2.978 44 2HD2 LEU 6 2HD2 LEU 6 -11.081 8.241 3.728 45 3HD2 LEU 6 3HD2 LEU 6 -10.457 8.844 2.194 46 H ASP 7 HN ASP 7 -12.680 2.830 2.658 47 HA ASP 7 HA ASP 7 -10.969 1.367 4.460 48 1HB ASP 7 HB2 ASP 7 -13.659 1.093 3.170 49 2HB ASP 7 HB1 ASP 7 -12.956 -0.360 3.876 50 H LEU 8 HN LEU 8 -11.931 0.930 1.066 51 HA LEU 8 HA LEU 8 -10.587 -1.608 0.665 52 1HB LEU 8 HB2 LEU 8 -12.264 0.259 -0.737 53 2HB LEU 8 HB1 LEU 8 -10.894 -0.158 -1.767 54 HG LEU 8 HG LEU 8 -11.575 -2.599 -0.675 55 1HD1 LEU 8 1HD1 LEU 8 -13.630 -1.548 0.284 56 2HD1 LEU 8 2HD1 LEU 8 -13.998 -2.814 -0.887 57 3HD1 LEU 8 3HD1 LEU 8 -14.138 -1.118 -1.349 58 1HD2 LEU 8 1HD2 LEU 8 -12.378 -3.126 -2.906 59 2HD2 LEU 8 2HD2 LEU 8 -11.034 -1.996 -3.060 60 3HD2 LEU 8 3HD2 LEU 8 -12.693 -1.424 -3.242 61 H ILE 9 HN ILE 9 -9.597 1.788 0.352 62 HA ILE 9 HA ILE 9 -7.289 1.596 -1.245 63 HB ILE 9 HB ILE 9 -8.017 3.205 1.208 64 1HG1 ILE 9 2HG1 ILE 9 -9.148 3.521 -1.060 65 2HG1 ILE 9 1HG1 ILE 9 -8.424 4.964 -0.358 66 1HG2 ILE 9 1HG2 ILE 9 -5.461 3.305 -0.402 67 2HG2 ILE 9 2HG2 ILE 9 -5.644 3.218 1.349 68 3HG2 ILE 9 3HG2 ILE 9 -6.055 4.704 0.494 69 1HD1 ILE 9 1HD1 ILE 9 -7.937 4.541 -2.840 70 2HD1 ILE 9 2HD1 ILE 9 -6.925 3.201 -2.304 71 3HD1 ILE 9 3HD1 ILE 9 -6.538 4.849 -1.812 72 H TYR 10 HN TYR 10 -7.817 0.450 2.029 73 HA TYR 10 HA TYR 10 -5.161 0.065 2.942 74 1HB TYR 10 HB2 TYR 10 -6.319 -0.880 4.663 75 2HB TYR 10 HB1 TYR 10 -7.771 -0.494 3.755 76 HD1 TYR 10 HD1 TYR 10 -9.008 -2.228 2.550 77 HD2 TYR 10 HD2 TYR 10 -5.366 -3.157 4.630 78 HE1 TYR 10 HE1 TYR 10 -9.514 -4.643 2.353 79 HE2 TYR 10 HE2 TYR 10 -5.873 -5.575 4.429 80 HH TYR 10 HH TYR 10 -8.514 -6.875 4.041 81 H SER 11 HN SER 11 -7.191 -2.049 0.891 82 HA SER 11 HA SER 11 -5.183 -4.140 0.608 83 1HB SER 11 HB2 SER 11 -7.730 -4.274 0.345 84 2HB SER 11 HB1 SER 11 -7.524 -3.468 -1.207 85 HG SER 11 HG SER 11 -7.522 -5.898 -1.092 86 H LEU 12 HN LEU 12 -6.274 -1.380 -1.361 87 HA LEU 12 HA LEU 12 -4.607 -1.761 -3.640 88 1HB LEU 12 HB2 LEU 12 -6.429 -0.216 -3.703 89 2HB LEU 12 HB1 LEU 12 -5.874 0.610 -2.252 90 HG LEU 12 HG LEU 12 -3.882 1.416 -3.487 91 1HD1 LEU 12 1HD1 LEU 12 -3.486 -0.178 -5.174 92 2HD1 LEU 12 2HD1 LEU 12 -4.137 1.192 -6.073 93 3HD1 LEU 12 3HD1 LEU 12 -5.172 -0.184 -5.693 94 1HD2 LEU 12 1HD2 LEU 12 -5.485 2.633 -5.346 95 2HD2 LEU 12 2HD2 LEU 12 -5.365 3.133 -3.659 96 3HD2 LEU 12 3HD2 LEU 12 -6.678 2.073 -4.173 97 H HIS 13 HN HIS 13 -4.048 -0.055 -0.576 98 HA HIS 13 HA HIS 13 -1.456 1.017 -1.198 99 1HB HIS 13 HB2 HIS 13 -3.220 1.435 0.735 100 2HB HIS 13 HB1 HIS 13 -2.280 0.201 1.573 101 HD1 HIS 13 HD1 HIS 13 0.226 0.757 2.110 102 HD2 HIS 13 HD2 HIS 13 -1.877 3.907 0.368 103 HE1 HIS 13 HE1 HIS 13 1.654 2.825 2.410 104 H LYS 14 HN LYS 14 -2.501 -2.110 0.151 105 HA LYS 14 HA LYS 14 0.014 -3.090 1.044 106 1HB LYS 14 HB2 LYS 14 -2.648 -4.093 0.349 107 2HB LYS 14 HB1 LYS 14 -1.380 -5.274 0.016 108 1HG LYS 14 HG2 LYS 14 -2.138 -5.571 2.309 109 2HG LYS 14 HG1 LYS 14 -0.503 -4.912 2.332 110 1HD LYS 14 HD2 LYS 14 -1.899 -2.603 2.314 111 2HD LYS 14 HD1 LYS 14 -3.072 -3.638 3.128 112 1HE LYS 14 HE2 LYS 14 -1.777 -3.837 5.013 113 2HE LYS 14 HE1 LYS 14 -0.264 -3.877 4.086 114 1HZ LYS 14 HZ1 LYS 14 -0.352 -1.782 5.185 115 2HZ LYS 14 HZ2 LYS 14 -1.951 -1.504 4.682 116 3HZ LYS 14 HZ3 LYS 14 -0.686 -1.486 3.547 117 H GLN 15 HN GLN 15 -1.339 -2.829 -2.182 118 HA GLN 15 HA GLN 15 0.592 -4.529 -3.528 119 1HB GLN 15 HB2 GLN 15 -1.014 -2.187 -4.611 120 2HB GLN 15 HB1 GLN 15 -0.393 -3.558 -5.531 121 1HG GLN 15 HG2 GLN 15 -1.836 -4.907 -3.700 122 2HG GLN 15 HG1 GLN 15 -2.756 -3.403 -3.721 123 1HE2 GLN 15 1HE2 GLN 15 -2.168 -6.346 -5.437 124 2HE2 GLN 15 2HE2 GLN 15 -3.076 -5.970 -6.821 125 H ILE 16 HN ILE 16 0.311 -1.049 -2.917 126 HA ILE 16 HA ILE 16 2.809 -0.327 -4.220 127 HB ILE 16 HB ILE 16 0.992 1.044 -2.208 128 1HG1 ILE 16 2HG1 ILE 16 1.155 2.122 -4.923 129 2HG1 ILE 16 1HG1 ILE 16 0.609 0.444 -4.907 130 1HG2 ILE 16 1HG2 ILE 16 3.544 1.891 -3.499 131 2HG2 ILE 16 2HG2 ILE 16 2.871 2.344 -1.932 132 3HG2 ILE 16 3HG2 ILE 16 2.255 3.090 -3.406 133 1HD1 ILE 16 1HD1 ILE 16 -1.027 1.130 -3.075 134 2HD1 ILE 16 2HD1 ILE 16 -1.362 1.777 -4.682 135 3HD1 ILE 16 3HD1 ILE 16 -0.612 2.800 -3.457 136 H ASN 17 HN ASN 17 1.812 -1.200 -0.947 137 HA ASN 17 HA ASN 17 4.144 -0.432 0.510 138 1HB ASN 17 HB2 ASN 17 1.725 -1.959 0.854 139 2HB ASN 17 HB1 ASN 17 3.068 -2.866 1.546 140 1HD2 ASN 17 1HD2 ASN 17 4.682 -1.171 2.803 141 2HD2 ASN 17 2HD2 ASN 17 3.866 -0.142 3.878 142 H ARG 18 HN ARG 18 3.414 -3.378 -1.372 143 HA ARG 18 HA ARG 18 5.651 -4.969 -0.606 144 1HB ARG 18 HB2 ARG 18 4.009 -4.697 -3.140 145 2HB ARG 18 HB1 ARG 18 5.240 -5.945 -2.951 146 1HG ARG 18 HG2 ARG 18 3.266 -5.655 -0.736 147 2HG ARG 18 HG1 ARG 18 2.675 -6.345 -2.247 148 1HD ARG 18 HD2 ARG 18 5.274 -7.451 -1.401 149 2HD ARG 18 HD1 ARG 18 3.947 -7.793 -0.275 150 HE ARG 18 HE ARG 18 3.813 -8.405 -3.209 151 1HH1 ARG 18 1HH1 ARG 18 4.425 -10.704 -1.483 152 2HH1 ARG 18 2HH1 ARG 18 2.862 -11.349 -1.109 153 1HH2 ARG 18 1HH2 ARG 18 1.161 -8.469 -2.055 154 2HH2 ARG 18 2HH2 ARG 18 1.006 -10.079 -1.433 155 H GLY 19 HN GLY 19 5.314 -2.796 -3.449 156 1HA GLY 19 HA2 GLY 19 8.105 -2.970 -4.185 157 2HA GLY 19 HA1 GLY 19 6.958 -1.771 -4.785 158 H LEU 20 HN LEU 20 6.187 -0.687 -2.248 159 HA LEU 20 HA LEU 20 8.136 1.338 -1.830 160 1HB LEU 20 HB2 LEU 20 5.764 1.514 -1.232 161 2HB LEU 20 HB1 LEU 20 5.947 0.226 -0.043 162 HG LEU 20 HG LEU 20 7.563 1.633 1.208 163 1HD1 LEU 20 1HD1 LEU 20 7.577 4.106 0.548 164 2HD1 LEU 20 2HD1 LEU 20 6.899 3.597 -0.997 165 3HD1 LEU 20 3HD1 LEU 20 8.491 3.024 -0.501 166 1HD2 LEU 20 1HD2 LEU 20 5.902 3.306 2.012 167 2HD2 LEU 20 2HD2 LEU 20 5.191 1.701 1.828 168 3HD2 LEU 20 3HD2 LEU 20 4.890 2.944 0.612 169 H LYS 21 HN LYS 21 7.544 -1.690 -0.062 170 HA LYS 21 HA LYS 21 9.532 -1.304 1.978 171 1HB LYS 21 HB2 LYS 21 7.597 -2.919 1.968 172 2HB LYS 21 HB1 LYS 21 8.478 -3.884 0.785 173 1HG LYS 21 HG2 LYS 21 10.419 -3.662 2.616 174 2HG LYS 21 HG1 LYS 21 9.034 -3.474 3.691 175 1HD LYS 21 HD2 LYS 21 8.416 -5.614 1.929 176 2HD LYS 21 HD1 LYS 21 10.063 -5.882 2.500 177 1HE LYS 21 HE2 LYS 21 9.352 -5.749 4.821 178 2HE LYS 21 HE1 LYS 21 7.713 -5.276 4.330 179 1HZ LYS 21 HZ1 LYS 21 7.871 -7.672 4.756 180 2HZ LYS 21 HZ2 LYS 21 9.068 -7.811 3.558 181 3HZ LYS 21 HZ3 LYS 21 7.486 -7.353 3.135 182 H LYS 22 HN LYS 22 9.647 -2.831 -1.232 183 HA LYS 22 HA LYS 22 12.281 -3.931 -1.068 184 1HB LYS 22 HB2 LYS 22 10.361 -4.205 -2.801 185 2HB LYS 22 HB1 LYS 22 11.040 -2.766 -3.562 186 1HG LYS 22 HG2 LYS 22 12.864 -5.047 -2.856 187 2HG LYS 22 HG1 LYS 22 11.863 -5.161 -4.302 188 1HD LYS 22 HD2 LYS 22 12.785 -2.752 -4.801 189 2HD LYS 22 HD1 LYS 22 14.064 -3.213 -3.678 190 1HE LYS 22 HE2 LYS 22 15.079 -4.262 -5.415 191 2HE LYS 22 HE1 LYS 22 13.749 -5.436 -5.392 192 1HZ LYS 22 HZ1 LYS 22 13.733 -2.823 -6.819 193 2HZ LYS 22 HZ2 LYS 22 12.444 -3.931 -6.772 194 3HZ LYS 22 HZ3 LYS 22 13.896 -4.344 -7.552 195 H ILE 23 HN ILE 23 11.139 -0.697 -1.976 196 HA ILE 23 HA ILE 23 13.638 0.349 -2.916 197 HB ILE 23 HB ILE 23 11.181 1.620 -1.668 198 1HG1 ILE 23 2HG1 ILE 23 12.015 1.708 -4.564 199 2HG1 ILE 23 1HG1 ILE 23 11.152 0.307 -3.930 200 1HG2 ILE 23 1HG2 ILE 23 13.108 3.141 -1.447 201 2HG2 ILE 23 2HG2 ILE 23 11.989 3.738 -2.672 202 3HG2 ILE 23 3HG2 ILE 23 13.480 2.931 -3.158 203 1HD1 ILE 23 1HD1 ILE 23 9.509 1.841 -4.815 204 2HD1 ILE 23 2HD1 ILE 23 10.212 3.188 -3.920 205 3HD1 ILE 23 3HD1 ILE 23 9.392 1.887 -3.056 206 H VAL 24 HN VAL 24 12.392 -0.174 0.310 207 HA VAL 24 HA VAL 24 14.660 1.368 1.497 208 HB VAL 24 HB VAL 24 12.167 0.143 2.733 209 1HG1 VAL 24 1HG1 VAL 24 12.740 1.637 4.649 210 2HG1 VAL 24 2HG1 VAL 24 14.244 2.064 3.832 211 3HG1 VAL 24 3HG1 VAL 24 13.969 0.405 4.364 212 1HG2 VAL 24 1HG2 VAL 24 11.394 1.898 1.347 213 2HG2 VAL 24 2HG2 VAL 24 12.810 2.897 1.671 214 3HG2 VAL 24 3HG2 VAL 24 11.586 2.669 2.921 215 H LEU 25 HN LEU 25 13.347 -1.841 1.082 216 HA LEU 25 HA LEU 25 15.081 -3.132 3.061 217 1HB LEU 25 HB2 LEU 25 12.859 -3.981 2.575 218 2HB LEU 25 HB1 LEU 25 13.226 -4.090 0.856 219 HG LEU 25 HG LEU 25 14.988 -5.775 1.375 220 1HD1 LEU 25 1HD1 LEU 25 14.809 -6.819 3.702 221 2HD1 LEU 25 2HD1 LEU 25 13.910 -5.378 4.176 222 3HD1 LEU 25 3HD1 LEU 25 15.581 -5.236 3.631 223 1HD2 LEU 25 1HD2 LEU 25 12.592 -6.909 2.704 224 2HD2 LEU 25 2HD2 LEU 25 13.459 -7.470 1.273 225 3HD2 LEU 25 3HD2 LEU 25 12.301 -6.145 1.140 226 H GLY 26 HN GLY 26 15.064 -2.702 -0.495 227 1HA GLY 26 HA2 GLY 26 17.938 -3.291 -0.567 228 2HA GLY 26 HA1 GLY 26 16.942 -4.500 -1.376 229 H TRP 27 HN TRP 27 17.995 -1.141 -1.455 230 HA TRP 27 HA TRP 27 16.816 -0.878 -4.198 231 1HB TRP 27 HB2 TRP 27 16.677 1.458 -3.759 232 2HB TRP 27 HB1 TRP 27 16.176 0.683 -2.261 233 HD1 TRP 27 HD1 TRP 27 17.884 0.748 -0.199 234 HE1 TRP 27 HE1 TRP 27 19.856 2.324 0.332 235 HE3 TRP 27 HE3 TRP 27 18.588 2.864 -4.794 236 HZ2 TRP 27 HZ2 TRP 27 21.509 4.231 -1.013 237 HZ3 TRP 27 HZ3 TRP 27 20.365 4.557 -5.140 238 HH2 TRP 27 HH2 TRP 27 21.825 5.242 -3.257 239 H ALA 28 HN ALA 28 19.825 -0.839 -2.370 240 HA ALA 28 HA ALA 28 21.319 -0.543 -4.943 241 1HB ALA 28 HB1 ALA 28 21.614 0.996 -2.357 242 2HB ALA 28 HB2 ALA 28 21.407 1.635 -3.987 243 3HB ALA 28 HB3 ALA 28 22.934 0.889 -3.520 Start of MODEL 29 1 1H SER 1 HT1 SER 1 -9.398 3.294 9.067 2 2H SER 1 HT2 SER 1 -9.792 4.946 9.142 3 3H SER 1 HT3 SER 1 -9.610 4.180 7.637 4 HA SER 1 HA SER 1 -11.555 2.783 8.093 5 1HB SER 1 HB2 SER 1 -11.026 2.952 10.591 6 2HB SER 1 HB1 SER 1 -11.813 4.527 10.557 7 HG SER 1 HG SER 1 -13.530 3.330 10.890 8 H GLY 2 HN GLY 2 -13.548 3.549 7.258 9 1HA GLY 2 HA2 GLY 2 -14.212 6.401 7.307 10 2HA GLY 2 HA1 GLY 2 -13.710 5.816 5.720 11 H ASN 3 HN ASN 3 -15.021 4.204 4.667 12 HA ASN 3 HA ASN 3 -17.557 3.381 5.929 13 1HB ASN 3 HB2 ASN 3 -18.910 4.487 4.135 14 2HB ASN 3 HB1 ASN 3 -18.068 5.639 5.166 15 1HD2 ASN 3 1HD2 ASN 3 -16.329 6.897 4.214 16 2HD2 ASN 3 2HD2 ASN 3 -16.029 6.894 2.543 17 H TYR 4 HN TYR 4 -15.682 3.520 2.866 18 HA TYR 4 HA TYR 4 -16.022 0.624 2.504 19 1HB TYR 4 HB2 TYR 4 -18.162 1.498 1.690 20 2HB TYR 4 HB1 TYR 4 -17.325 2.661 0.663 21 HD1 TYR 4 HD1 TYR 4 -17.577 -1.023 1.310 22 HD2 TYR 4 HD2 TYR 4 -16.780 2.087 -1.545 23 HE1 TYR 4 HE1 TYR 4 -17.429 -2.716 -0.494 24 HE2 TYR 4 HE2 TYR 4 -16.633 0.393 -3.349 25 HH TYR 4 HH TYR 4 -16.053 -2.579 -3.038 26 H VAL 5 HN VAL 5 -15.446 3.419 0.315 27 HA VAL 5 HA VAL 5 -13.300 2.183 -1.116 28 HB VAL 5 HB VAL 5 -14.255 5.020 -0.680 29 1HG1 VAL 5 1HG1 VAL 5 -12.719 5.447 -2.755 30 2HG1 VAL 5 2HG1 VAL 5 -11.831 4.039 -2.172 31 3HG1 VAL 5 3HG1 VAL 5 -11.999 5.464 -1.146 32 1HG2 VAL 5 1HG2 VAL 5 -14.703 4.659 -3.199 33 2HG2 VAL 5 2HG2 VAL 5 -15.721 3.774 -2.063 34 3HG2 VAL 5 3HG2 VAL 5 -14.389 2.954 -2.876 35 H LEU 6 HN LEU 6 -13.156 4.666 1.506 36 HA LEU 6 HA LEU 6 -10.334 4.818 1.733 37 1HB LEU 6 HB2 LEU 6 -12.361 6.052 2.916 38 2HB LEU 6 HB1 LEU 6 -12.122 4.820 4.157 39 HG LEU 6 HG LEU 6 -9.690 6.231 3.158 40 1HD1 LEU 6 1HD1 LEU 6 -11.394 8.038 3.461 41 2HD1 LEU 6 2HD1 LEU 6 -10.061 8.151 4.608 42 3HD1 LEU 6 3HD1 LEU 6 -11.617 7.501 5.126 43 1HD2 LEU 6 1HD2 LEU 6 -10.505 5.687 6.008 44 2HD2 LEU 6 2HD2 LEU 6 -8.884 5.763 5.318 45 3HD2 LEU 6 3HD2 LEU 6 -9.920 4.376 4.984 46 H ASP 7 HN ASP 7 -12.637 2.520 3.172 47 HA ASP 7 HA ASP 7 -10.721 1.015 4.725 48 1HB ASP 7 HB2 ASP 7 -13.528 0.772 3.726 49 2HB ASP 7 HB1 ASP 7 -12.736 -0.720 4.226 50 H LEU 8 HN LEU 8 -12.014 0.733 1.420 51 HA LEU 8 HA LEU 8 -10.637 -1.739 0.759 52 1HB LEU 8 HB2 LEU 8 -12.518 0.118 -0.382 53 2HB LEU 8 HB1 LEU 8 -11.246 -0.201 -1.560 54 HG LEU 8 HG LEU 8 -11.718 -2.710 -0.532 55 1HD1 LEU 8 1HD1 LEU 8 -14.160 -3.008 -0.531 56 2HD1 LEU 8 2HD1 LEU 8 -14.383 -1.280 -0.808 57 3HD1 LEU 8 3HD1 LEU 8 -13.686 -1.848 0.710 58 1HD2 LEU 8 1HD2 LEU 8 -12.909 -3.101 -2.686 59 2HD2 LEU 8 2HD2 LEU 8 -11.444 -2.143 -2.906 60 3HD2 LEU 8 3HD2 LEU 8 -13.023 -1.356 -2.918 61 H ILE 9 HN ILE 9 -9.855 1.720 0.435 62 HA ILE 9 HA ILE 9 -7.696 1.685 -1.360 63 HB ILE 9 HB ILE 9 -8.245 3.199 1.204 64 1HG1 ILE 9 2HG1 ILE 9 -8.188 4.117 -1.685 65 2HG1 ILE 9 1HG1 ILE 9 -9.645 3.543 -0.881 66 1HG2 ILE 9 1HG2 ILE 9 -5.887 3.364 1.108 67 2HG2 ILE 9 2HG2 ILE 9 -6.444 4.809 0.265 68 3HG2 ILE 9 3HG2 ILE 9 -5.875 3.417 -0.655 69 1HD1 ILE 9 1HD1 ILE 9 -9.947 5.669 -0.182 70 2HD1 ILE 9 2HD1 ILE 9 -8.320 6.134 -0.676 71 3HD1 ILE 9 3HD1 ILE 9 -8.585 5.403 0.906 72 H TYR 10 HN TYR 10 -7.836 0.395 1.905 73 HA TYR 10 HA TYR 10 -5.084 0.144 2.543 74 1HB TYR 10 HB2 TYR 10 -6.005 -0.959 4.314 75 2HB TYR 10 HB1 TYR 10 -7.560 -0.614 3.578 76 HD1 TYR 10 HD1 TYR 10 -8.765 -2.350 2.289 77 HD2 TYR 10 HD2 TYR 10 -4.991 -3.170 4.173 78 HE1 TYR 10 HE1 TYR 10 -9.151 -4.780 2.003 79 HE2 TYR 10 HE2 TYR 10 -5.377 -5.602 3.883 80 HH TYR 10 HH TYR 10 -7.956 -7.026 3.546 81 H SER 11 HN SER 11 -7.176 -1.911 0.522 82 HA SER 11 HA SER 11 -5.147 -3.923 -0.045 83 1HB SER 11 HB2 SER 11 -7.661 -4.185 -0.147 84 2HB SER 11 HB1 SER 11 -7.662 -3.155 -1.574 85 HG SER 11 HG SER 11 -7.485 -5.142 -2.413 86 H LEU 12 HN LEU 12 -6.253 -0.914 -1.550 87 HA LEU 12 HA LEU 12 -4.730 -1.182 -4.001 88 1HB LEU 12 HB2 LEU 12 -6.489 0.713 -2.632 89 2HB LEU 12 HB1 LEU 12 -5.182 1.532 -3.480 90 HG LEU 12 HG LEU 12 -7.067 -0.508 -4.699 91 1HD1 LEU 12 1HD1 LEU 12 -8.111 1.693 -4.209 92 2HD1 LEU 12 2HD1 LEU 12 -7.970 1.402 -5.941 93 3HD1 LEU 12 3HD1 LEU 12 -6.837 2.486 -5.135 94 1HD2 LEU 12 1HD2 LEU 12 -4.998 -0.685 -5.862 95 2HD2 LEU 12 2HD2 LEU 12 -4.707 1.053 -5.771 96 3HD2 LEU 12 3HD2 LEU 12 -5.961 0.423 -6.840 97 H HIS 13 HN HIS 13 -4.006 -0.077 -0.762 98 HA HIS 13 HA HIS 13 -1.520 1.295 -1.556 99 1HB HIS 13 HB2 HIS 13 -3.283 1.749 0.386 100 2HB HIS 13 HB1 HIS 13 -2.263 0.610 1.265 101 HD1 HIS 13 HD1 HIS 13 0.113 1.361 1.890 102 HD2 HIS 13 HD2 HIS 13 -1.955 4.197 -0.356 103 HE1 HIS 13 HE1 HIS 13 1.479 3.491 1.992 104 H LYS 14 HN LYS 14 -2.491 -1.813 -0.119 105 HA LYS 14 HA LYS 14 0.114 -2.626 0.772 106 1HB LYS 14 HB2 LYS 14 -0.929 -4.721 1.122 107 2HB LYS 14 HB1 LYS 14 -2.255 -3.571 1.257 108 1HG LYS 14 HG2 LYS 14 -3.274 -4.966 -0.234 109 2HG LYS 14 HG1 LYS 14 -2.320 -4.077 -1.418 110 1HD LYS 14 HD2 LYS 14 -1.740 -6.264 -1.953 111 2HD LYS 14 HD1 LYS 14 -0.463 -5.855 -0.809 112 1HE LYS 14 HE2 LYS 14 -1.586 -7.007 0.991 113 2HE LYS 14 HE1 LYS 14 -3.055 -7.210 0.016 114 1HZ LYS 14 HZ1 LYS 14 -1.966 -8.648 -1.459 115 2HZ LYS 14 HZ2 LYS 14 -1.457 -9.169 0.076 116 3HZ LYS 14 HZ3 LYS 14 -0.422 -8.230 -0.891 117 H GLN 15 HN GLN 15 -1.385 -2.630 -2.411 118 HA GLN 15 HA GLN 15 0.558 -4.448 -3.615 119 1HB GLN 15 HB2 GLN 15 -0.562 -3.817 -5.686 120 2HB GLN 15 HB1 GLN 15 -1.782 -4.031 -4.434 121 1HG GLN 15 HG2 GLN 15 -2.475 -1.907 -4.689 122 2HG GLN 15 HG1 GLN 15 -0.845 -1.304 -4.394 123 1HE2 GLN 15 1HE2 GLN 15 -3.098 -2.322 -6.950 124 2HE2 GLN 15 2HE2 GLN 15 -2.202 -1.666 -8.234 125 H ILE 16 HN ILE 16 0.574 -1.156 -2.683 126 HA ILE 16 HA ILE 16 2.788 -0.417 -4.530 127 HB ILE 16 HB ILE 16 1.076 1.091 -2.521 128 1HG1 ILE 16 2HG1 ILE 16 1.175 1.629 -5.473 129 2HG1 ILE 16 1HG1 ILE 16 0.244 0.249 -4.892 130 1HG2 ILE 16 1HG2 ILE 16 2.973 2.408 -2.476 131 2HG2 ILE 16 2HG2 ILE 16 2.194 3.070 -3.912 132 3HG2 ILE 16 3HG2 ILE 16 3.498 1.894 -4.079 133 1HD1 ILE 16 1HD1 ILE 16 -1.389 1.870 -4.748 134 2HD1 ILE 16 2HD1 ILE 16 -0.225 3.165 -4.468 135 3HD1 ILE 16 3HD1 ILE 16 -0.659 2.069 -3.156 136 H ASN 17 HN ASN 17 2.001 -0.973 -1.142 137 HA ASN 17 HA ASN 17 4.494 -0.108 0.017 138 1HB ASN 17 HB2 ASN 17 1.974 -1.314 0.770 139 2HB ASN 17 HB1 ASN 17 3.297 -2.135 1.596 140 1HD2 ASN 17 1HD2 ASN 17 4.604 -0.871 3.102 141 2HD2 ASN 17 2HD2 ASN 17 4.114 0.666 3.627 142 H ARG 18 HN ARG 18 3.375 -3.212 -1.325 143 HA ARG 18 HA ARG 18 5.477 -4.887 -0.354 144 1HB ARG 18 HB2 ARG 18 4.732 -6.383 -2.128 145 2HB ARG 18 HB1 ARG 18 3.319 -5.562 -1.468 146 1HG ARG 18 HG2 ARG 18 3.571 -3.862 -3.342 147 2HG ARG 18 HG1 ARG 18 4.769 -4.943 -4.054 148 1HD ARG 18 HD2 ARG 18 2.336 -6.383 -3.298 149 2HD ARG 18 HD1 ARG 18 2.015 -5.089 -4.468 150 HE ARG 18 HE ARG 18 4.171 -6.142 -5.630 151 1HH1 ARG 18 1HH2 ARG 18 3.907 -8.557 -3.793 152 2HH1 ARG 18 2HH2 ARG 18 3.014 -9.650 -4.794 153 1HH2 ARG 18 1HH1 ARG 18 2.005 -7.183 -7.029 154 2HH2 ARG 18 2HH1 ARG 18 1.936 -8.869 -6.640 155 H GLY 19 HN GLY 19 5.304 -2.756 -3.206 156 1HA GLY 19 HA2 GLY 19 7.996 -3.552 -4.103 157 2HA GLY 19 HA1 GLY 19 6.952 -2.362 -4.881 158 H LEU 20 HN LEU 20 6.465 -0.994 -2.246 159 HA LEU 20 HA LEU 20 8.704 0.863 -2.363 160 1HB LEU 20 HB2 LEU 20 6.464 1.659 -1.960 161 2HB LEU 20 HB1 LEU 20 6.247 0.534 -0.622 162 HG LEU 20 HG LEU 20 7.993 1.714 0.663 163 1HD1 LEU 20 1HD1 LEU 20 9.431 2.574 -1.042 164 2HD1 LEU 20 2HD1 LEU 20 8.708 3.988 -0.275 165 3HD1 LEU 20 3HD1 LEU 20 8.103 3.424 -1.832 166 1HD2 LEU 20 1HD2 LEU 20 6.682 3.639 1.216 167 2HD2 LEU 20 2HD2 LEU 20 5.535 2.415 0.671 168 3HD2 LEU 20 3HD2 LEU 20 6.003 3.729 -0.409 169 H LYS 21 HN LYS 21 7.604 -1.631 -0.101 170 HA LYS 21 HA LYS 21 9.430 -1.131 2.033 171 1HB LYS 21 HB2 LYS 21 7.396 -2.545 2.119 172 2HB LYS 21 HB1 LYS 21 8.181 -3.720 1.063 173 1HG LYS 21 HG2 LYS 21 9.959 -3.159 3.235 174 2HG LYS 21 HG1 LYS 21 8.366 -3.508 3.908 175 1HD LYS 21 HD2 LYS 21 8.965 -5.341 1.746 176 2HD LYS 21 HD1 LYS 21 10.246 -5.378 2.957 177 1HE LYS 21 HE2 LYS 21 8.215 -5.454 4.661 178 2HE LYS 21 HE1 LYS 21 7.345 -6.093 3.253 179 1HZ LYS 21 HZ1 LYS 21 9.864 -7.130 4.437 180 2HZ LYS 21 HZ2 LYS 21 9.274 -7.625 2.922 181 3HZ LYS 21 HZ3 LYS 21 8.373 -7.932 4.330 182 H LYS 22 HN LYS 22 9.708 -3.417 -0.709 183 HA LYS 22 HA LYS 22 12.300 -4.417 -0.003 184 1HB LYS 22 HB2 LYS 22 12.268 -5.348 -2.251 185 2HB LYS 22 HB1 LYS 22 10.642 -5.447 -1.581 186 1HG LYS 22 HG2 LYS 22 9.984 -4.439 -3.501 187 2HG LYS 22 HG1 LYS 22 10.627 -2.964 -2.780 188 1HD LYS 22 HD2 LYS 22 12.477 -2.951 -4.121 189 2HD LYS 22 HD1 LYS 22 12.622 -4.709 -4.111 190 1HE LYS 22 HE2 LYS 22 10.897 -4.950 -5.775 191 2HE LYS 22 HE1 LYS 22 10.446 -3.238 -5.639 192 1HZ LYS 22 HZ1 LYS 22 13.211 -4.057 -6.317 193 2HZ LYS 22 HZ2 LYS 22 12.463 -2.551 -6.557 194 3HZ LYS 22 HZ3 LYS 22 12.028 -3.880 -7.521 195 H ILE 23 HN ILE 23 11.335 -1.456 -1.615 196 HA ILE 23 HA ILE 23 13.954 -0.907 -2.789 197 HB ILE 23 HB ILE 23 11.418 0.666 -2.280 198 1HG1 ILE 23 2HG1 ILE 23 11.431 -1.048 -4.088 199 2HG1 ILE 23 1HG1 ILE 23 11.236 0.583 -4.726 200 1HG2 ILE 23 1HG2 ILE 23 14.119 1.633 -3.058 201 2HG2 ILE 23 2HG2 ILE 23 12.797 2.497 -2.275 202 3HG2 ILE 23 3HG2 ILE 23 12.772 2.241 -4.019 203 1HD1 ILE 23 1HD1 ILE 23 13.683 -1.180 -4.799 204 2HD1 ILE 23 2HD1 ILE 23 13.818 0.568 -4.989 205 3HD1 ILE 23 3HD1 ILE 23 12.868 -0.373 -6.138 206 H VAL 24 HN VAL 24 12.180 0.184 0.100 207 HA VAL 24 HA VAL 24 14.309 1.888 1.094 208 HB VAL 24 HB VAL 24 11.908 0.562 2.407 209 1HG1 VAL 24 1HG1 VAL 24 12.214 2.443 4.094 210 2HG1 VAL 24 2HG1 VAL 24 13.809 2.705 3.390 211 3HG1 VAL 24 3HG1 VAL 24 13.429 1.166 4.163 212 1HG2 VAL 24 1HG2 VAL 24 12.382 3.257 1.112 213 2HG2 VAL 24 2HG2 VAL 24 11.039 2.972 2.219 214 3HG2 VAL 24 3HG2 VAL 24 11.148 2.063 0.713 215 H LEU 25 HN LEU 25 13.343 -1.473 1.598 216 HA LEU 25 HA LEU 25 15.292 -2.035 3.690 217 1HB LEU 25 HB2 LEU 25 13.276 -3.330 3.557 218 2HB LEU 25 HB1 LEU 25 13.522 -3.665 1.845 219 HG LEU 25 HG LEU 25 15.558 -4.976 2.424 220 1HD1 LEU 25 1HD1 LEU 25 15.979 -5.558 4.772 221 2HD1 LEU 25 2HD1 LEU 25 14.622 -4.553 5.282 222 3HD1 LEU 25 3HD1 LEU 25 16.053 -3.808 4.567 223 1HD2 LEU 25 1HD2 LEU 25 13.270 -6.013 2.213 224 2HD2 LEU 25 2HD2 LEU 25 13.116 -5.897 3.966 225 3HD2 LEU 25 3HD2 LEU 25 14.370 -6.914 3.257 226 H GLY 26 HN GLY 26 15.137 -2.547 0.156 227 1HA GLY 26 HA2 GLY 26 18.097 -2.917 0.156 228 2HA GLY 26 HA1 GLY 26 17.079 -4.068 -0.712 229 H TRP 27 HN TRP 27 18.245 -0.749 -0.662 230 HA TRP 27 HA TRP 27 16.767 0.257 -2.909 231 1HB TRP 27 HB2 TRP 27 18.105 1.525 -1.164 232 2HB TRP 27 HB1 TRP 27 19.566 1.001 -2.002 233 HD1 TRP 27 HD1 TRP 27 20.152 2.119 -4.293 234 HE1 TRP 27 HE1 TRP 27 19.208 4.160 -5.554 235 HE3 TRP 27 HE3 TRP 27 15.860 2.888 -1.636 236 HZ2 TRP 27 HZ2 TRP 27 16.931 5.890 -5.449 237 HZ3 TRP 27 HZ3 TRP 27 14.323 4.737 -2.236 238 HH2 TRP 27 HH2 TRP 27 14.852 6.237 -4.137 239 H ALA 28 HN ALA 28 17.026 -0.158 -5.075 240 HA ALA 28 HA ALA 28 19.609 -1.356 -6.013 241 1HB ALA 28 HB1 ALA 28 16.775 -2.198 -6.713 242 2HB ALA 28 HB2 ALA 28 17.875 -3.088 -5.661 243 3HB ALA 28 HB3 ALA 28 18.245 -2.910 -7.377 Start of MODEL 30 1 1H SER 1 HT1 SER 1 -18.965 6.865 11.444 2 2H SER 1 HT2 SER 1 -18.256 5.328 11.297 3 3H SER 1 HT3 SER 1 -19.920 5.530 11.018 4 HA SER 1 HA SER 1 -19.413 6.949 9.081 5 1HB SER 1 HB2 SER 1 -16.905 6.744 8.421 6 2HB SER 1 HB1 SER 1 -17.322 7.854 9.723 7 HG SER 1 HG SER 1 -15.726 5.709 9.782 8 H GLY 2 HN GLY 2 -19.636 5.833 7.122 9 1HA GLY 2 HA2 GLY 2 -19.237 2.875 7.249 10 2HA GLY 2 HA1 GLY 2 -20.394 3.689 6.194 11 H ASN 3 HN ASN 3 -19.407 5.165 4.514 12 HA ASN 3 HA ASN 3 -17.974 5.489 2.673 13 1HB ASN 3 HB2 ASN 3 -15.927 4.486 4.685 14 2HB ASN 3 HB1 ASN 3 -15.574 5.410 3.227 15 1HD2 ASN 3 1HD2 ASN 3 -16.478 7.683 3.145 16 2HD2 ASN 3 2HD2 ASN 3 -16.742 8.511 4.604 17 H TYR 4 HN TYR 4 -15.915 4.118 1.580 18 HA TYR 4 HA TYR 4 -16.286 1.210 1.707 19 1HB TYR 4 HB2 TYR 4 -18.278 1.865 0.466 20 2HB TYR 4 HB1 TYR 4 -17.321 2.882 -0.610 21 HD1 TYR 4 HD1 TYR 4 -16.471 1.996 -2.607 22 HD2 TYR 4 HD2 TYR 4 -17.638 -0.664 0.558 23 HE1 TYR 4 HE1 TYR 4 -16.067 0.053 -4.091 24 HE2 TYR 4 HE2 TYR 4 -17.235 -2.607 -0.928 25 HH TYR 4 HH TYR 4 -17.220 -2.684 -3.888 26 H VAL 5 HN VAL 5 -15.249 3.769 -0.606 27 HA VAL 5 HA VAL 5 -13.055 2.277 -1.698 28 HB VAL 5 HB VAL 5 -14.187 4.257 -2.718 29 1HG1 VAL 5 1HG1 VAL 5 -13.774 6.482 -1.933 30 2HG1 VAL 5 2HG1 VAL 5 -12.567 5.922 -0.777 31 3HG1 VAL 5 3HG1 VAL 5 -14.271 5.548 -0.523 32 1HG2 VAL 5 1HG2 VAL 5 -12.272 5.014 -3.825 33 2HG2 VAL 5 2HG2 VAL 5 -11.719 3.477 -3.160 34 3HG2 VAL 5 3HG2 VAL 5 -11.292 4.990 -2.360 35 H LEU 6 HN LEU 6 -13.237 4.520 1.080 36 HA LEU 6 HA LEU 6 -10.431 4.773 1.588 37 1HB LEU 6 HB2 LEU 6 -13.008 5.186 2.965 38 2HB LEU 6 HB1 LEU 6 -11.682 4.809 4.064 39 HG LEU 6 HG LEU 6 -11.892 7.248 3.695 40 1HD1 LEU 6 1HD1 LEU 6 -9.593 7.652 3.453 41 2HD1 LEU 6 2HD1 LEU 6 -9.395 6.366 2.262 42 3HD1 LEU 6 3HD1 LEU 6 -9.637 5.965 3.962 43 1HD2 LEU 6 1HD2 LEU 6 -11.322 8.162 1.450 44 2HD2 LEU 6 2HD2 LEU 6 -12.805 7.206 1.420 45 3HD2 LEU 6 3HD2 LEU 6 -11.301 6.520 0.808 46 H ASP 7 HN ASP 7 -12.822 2.375 2.700 47 HA ASP 7 HA ASP 7 -11.002 0.823 4.319 48 1HB ASP 7 HB2 ASP 7 -13.756 0.867 3.517 49 2HB ASP 7 HB1 ASP 7 -13.134 -0.755 3.224 50 H LEU 8 HN LEU 8 -11.890 0.807 0.891 51 HA LEU 8 HA LEU 8 -10.564 -1.720 0.263 52 1HB LEU 8 HB2 LEU 8 -12.267 0.243 -0.965 53 2HB LEU 8 HB1 LEU 8 -10.890 -0.054 -2.025 54 HG LEU 8 HG LEU 8 -11.568 -2.595 -1.127 55 1HD1 LEU 8 1HD1 LEU 8 -14.001 -2.761 -1.574 56 2HD1 LEU 8 2HD1 LEU 8 -14.082 -1.008 -1.746 57 3HD1 LEU 8 3HD1 LEU 8 -13.670 -1.722 -0.188 58 1HD2 LEU 8 1HD2 LEU 8 -10.904 -1.846 -3.428 59 2HD2 LEU 8 2HD2 LEU 8 -12.537 -1.221 -3.657 60 3HD2 LEU 8 3HD2 LEU 8 -12.278 -2.951 -3.432 61 H ILE 9 HN ILE 9 -9.627 1.701 0.260 62 HA ILE 9 HA ILE 9 -7.304 1.660 -1.338 63 HB ILE 9 HB ILE 9 -8.154 3.114 1.164 64 1HG1 ILE 9 2HG1 ILE 9 -9.145 3.591 -1.115 65 2HG1 ILE 9 1HG1 ILE 9 -8.391 4.982 -0.341 66 1HG2 ILE 9 1HG2 ILE 9 -5.827 3.179 1.518 67 2HG2 ILE 9 2HG2 ILE 9 -6.134 4.657 0.607 68 3HG2 ILE 9 3HG2 ILE 9 -5.471 3.240 -0.209 69 1HD1 ILE 9 1HD1 ILE 9 -7.776 4.759 -2.756 70 2HD1 ILE 9 2HD1 ILE 9 -7.019 3.210 -2.386 71 3HD1 ILE 9 3HD1 ILE 9 -6.377 4.695 -1.686 72 H TYR 10 HN TYR 10 -7.844 0.304 1.853 73 HA TYR 10 HA TYR 10 -5.209 -0.087 2.798 74 1HB TYR 10 HB2 TYR 10 -6.371 -1.254 4.380 75 2HB TYR 10 HB1 TYR 10 -7.813 -0.823 3.474 76 HD1 TYR 10 HD1 TYR 10 -5.436 -3.489 4.290 77 HD2 TYR 10 HD2 TYR 10 -8.853 -2.449 1.905 78 HE1 TYR 10 HE1 TYR 10 -5.841 -5.889 3.822 79 HE2 TYR 10 HE2 TYR 10 -9.257 -4.848 1.436 80 HH TYR 10 HH TYR 10 -7.087 -7.180 1.779 81 H SER 11 HN SER 11 -7.065 -1.956 0.404 82 HA SER 11 HA SER 11 -5.022 -3.999 0.002 83 1HB SER 11 HB2 SER 11 -7.515 -4.189 -0.423 84 2HB SER 11 HB1 SER 11 -7.310 -3.101 -1.791 85 HG SER 11 HG SER 11 -6.099 -4.617 -2.816 86 H LEU 12 HN LEU 12 -6.037 -1.016 -1.676 87 HA LEU 12 HA LEU 12 -4.210 -1.118 -3.869 88 1HB LEU 12 HB2 LEU 12 -6.005 0.765 -2.526 89 2HB LEU 12 HB1 LEU 12 -4.579 1.571 -3.174 90 HG LEU 12 HG LEU 12 -6.421 -0.265 -4.736 91 1HD1 LEU 12 1HD1 LEU 12 -7.147 1.765 -5.877 92 2HD1 LEU 12 2HD1 LEU 12 -6.028 2.737 -4.922 93 3HD1 LEU 12 3HD1 LEU 12 -7.403 1.953 -4.143 94 1HD2 LEU 12 1HD2 LEU 12 -4.269 -0.449 -5.720 95 2HD2 LEU 12 2HD2 LEU 12 -3.898 1.250 -5.427 96 3HD2 LEU 12 3HD2 LEU 12 -5.067 0.804 -6.669 97 H HIS 13 HN HIS 13 -3.910 0.219 -0.596 98 HA HIS 13 HA HIS 13 -1.222 1.258 -0.958 99 1HB HIS 13 HB2 HIS 13 -3.217 1.685 0.803 100 2HB HIS 13 HB1 HIS 13 -2.289 0.504 1.727 101 HD1 HIS 13 HD1 HIS 13 0.289 1.114 2.146 102 HD2 HIS 13 HD2 HIS 13 -2.070 4.237 0.716 103 HE1 HIS 13 HE1 HIS 13 1.600 3.242 2.549 104 H LYS 14 HN LYS 14 -2.602 -1.770 0.312 105 HA LYS 14 HA LYS 14 -0.269 -2.933 1.436 106 1HB LYS 14 HB2 LYS 14 -2.427 -3.929 1.759 107 2HB LYS 14 HB1 LYS 14 -2.718 -4.029 0.024 108 1HG LYS 14 HG2 LYS 14 -0.298 -5.448 0.974 109 2HG LYS 14 HG1 LYS 14 -1.829 -6.118 1.535 110 1HD LYS 14 HD2 LYS 14 -1.871 -5.382 -1.307 111 2HD LYS 14 HD1 LYS 14 -0.672 -6.620 -0.931 112 1HE LYS 14 HE2 LYS 14 -2.321 -8.098 -0.030 113 2HE LYS 14 HE1 LYS 14 -3.538 -6.809 0.043 114 1HZ LYS 14 HZ1 LYS 14 -2.244 -7.695 -2.482 115 2HZ LYS 14 HZ2 LYS 14 -3.577 -6.654 -2.314 116 3HZ LYS 14 HZ3 LYS 14 -3.732 -8.303 -1.938 117 H GLN 15 HN GLN 15 -1.334 -2.684 -1.922 118 HA GLN 15 HA GLN 15 0.740 -4.428 -3.006 119 1HB GLN 15 HB2 GLN 15 -1.223 -2.409 -4.124 120 2HB GLN 15 HB1 GLN 15 -0.096 -3.287 -5.158 121 1HG GLN 15 HG2 GLN 15 -1.056 -5.389 -4.616 122 2HG GLN 15 HG1 GLN 15 -1.916 -4.727 -3.226 123 1HE2 GLN 15 1HE2 GLN 15 -1.877 -4.747 -6.805 124 2HE2 GLN 15 2HE2 GLN 15 -3.487 -4.238 -6.981 125 H ILE 16 HN ILE 16 0.254 -0.933 -2.648 126 HA ILE 16 HA ILE 16 2.692 -0.098 -3.951 127 HB ILE 16 HB ILE 16 0.841 1.152 -1.894 128 1HG1 ILE 16 2HG1 ILE 16 1.162 1.861 -4.817 129 2HG1 ILE 16 1HG1 ILE 16 0.060 0.589 -4.291 130 1HG2 ILE 16 1HG2 ILE 16 1.962 3.313 -2.875 131 2HG2 ILE 16 2HG2 ILE 16 3.292 2.225 -3.268 132 3HG2 ILE 16 3HG2 ILE 16 2.781 2.424 -1.593 133 1HD1 ILE 16 1HD1 ILE 16 -0.713 2.496 -2.579 134 2HD1 ILE 16 2HD1 ILE 16 -1.392 2.377 -4.202 135 3HD1 ILE 16 3HD1 ILE 16 -0.108 3.539 -3.867 136 H ASN 17 HN ASN 17 1.825 -0.893 -0.616 137 HA ASN 17 HA ASN 17 4.255 -0.073 0.674 138 1HB ASN 17 HB2 ASN 17 1.767 -1.249 1.308 139 2HB ASN 17 HB1 ASN 17 2.977 -2.398 1.867 140 1HD2 ASN 17 1HD2 ASN 17 1.208 -0.494 3.454 141 2HD2 ASN 17 2HD2 ASN 17 2.287 0.413 4.399 142 H ARG 18 HN ARG 18 3.244 -3.207 -0.735 143 HA ARG 18 HA ARG 18 5.452 -4.806 0.031 144 1HB ARG 18 HB2 ARG 18 3.607 -4.717 -2.361 145 2HB ARG 18 HB1 ARG 18 4.855 -5.956 -2.232 146 1HG ARG 18 HG2 ARG 18 3.465 -5.740 0.283 147 2HG ARG 18 HG1 ARG 18 2.293 -5.958 -1.016 148 1HD ARG 18 HD2 ARG 18 2.899 -8.126 -1.307 149 2HD ARG 18 HD1 ARG 18 4.623 -7.706 -1.340 150 HE ARG 18 HE ARG 18 4.549 -7.649 1.160 151 1HH1 ARG 18 1HH1 ARG 18 1.684 -7.537 1.723 152 2HH1 ARG 18 2HH1 ARG 18 1.266 -9.186 2.045 153 1HH2 ARG 18 1HH2 ARG 18 4.148 -10.474 0.586 154 2HH2 ARG 18 2HH2 ARG 18 2.670 -10.857 1.403 155 H GLY 19 HN GLY 19 5.063 -2.872 -2.971 156 1HA GLY 19 HA2 GLY 19 7.778 -3.344 -3.865 157 2HA GLY 19 HA1 GLY 19 6.679 -2.121 -4.511 158 H LEU 20 HN LEU 20 6.144 -0.672 -2.158 159 HA LEU 20 HA LEU 20 8.243 1.206 -2.018 160 1HB LEU 20 HB2 LEU 20 5.994 1.698 -1.288 161 2HB LEU 20 HB1 LEU 20 6.047 0.407 -0.089 162 HG LEU 20 HG LEU 20 7.895 1.638 1.075 163 1HD1 LEU 20 1HD1 LEU 20 8.751 2.954 -0.781 164 2HD1 LEU 20 2HD1 LEU 20 8.160 4.058 0.460 165 3HD1 LEU 20 3HD1 LEU 20 7.190 3.752 -0.983 166 1HD2 LEU 20 1HD2 LEU 20 6.437 3.239 2.136 167 2HD2 LEU 20 2HD2 LEU 20 5.443 1.858 1.670 168 3HD2 LEU 20 3HD2 LEU 20 5.410 3.333 0.704 169 H LYS 21 HN LYS 21 7.572 -1.554 0.128 170 HA LYS 21 HA LYS 21 9.708 -1.119 1.988 171 1HB LYS 21 HB2 LYS 21 7.874 -3.308 1.156 172 2HB LYS 21 HB1 LYS 21 9.325 -3.803 2.027 173 1HG LYS 21 HG2 LYS 21 8.779 -2.194 3.830 174 2HG LYS 21 HG1 LYS 21 7.304 -1.748 2.970 175 1HD LYS 21 HD2 LYS 21 6.296 -3.819 3.348 176 2HD LYS 21 HD1 LYS 21 7.837 -4.637 3.601 177 1HE LYS 21 HE2 LYS 21 7.102 -2.458 5.525 178 2HE LYS 21 HE1 LYS 21 6.267 -4.017 5.676 179 1HZ LYS 21 HZ1 LYS 21 8.328 -5.160 5.799 180 2HZ LYS 21 HZ2 LYS 21 8.432 -3.871 6.901 181 3HZ LYS 21 HZ3 LYS 21 9.214 -3.770 5.396 182 H LYS 22 HN LYS 22 9.522 -3.193 -0.906 183 HA LYS 22 HA LYS 22 12.130 -4.298 -0.838 184 1HB LYS 22 HB2 LYS 22 10.268 -4.994 -2.309 185 2HB LYS 22 HB1 LYS 22 10.409 -3.480 -3.200 186 1HG LYS 22 HG2 LYS 22 12.984 -4.816 -3.003 187 2HG LYS 22 HG1 LYS 22 11.776 -5.867 -3.743 188 1HD LYS 22 HD2 LYS 22 11.207 -4.119 -5.365 189 2HD LYS 22 HD1 LYS 22 12.355 -3.017 -4.604 190 1HE LYS 22 HE2 LYS 22 14.232 -4.347 -5.278 191 2HE LYS 22 HE1 LYS 22 13.187 -5.703 -5.747 192 1HZ LYS 22 HZ1 LYS 22 12.117 -4.222 -7.376 193 2HZ LYS 22 HZ2 LYS 22 13.771 -4.434 -7.701 194 3HZ LYS 22 HZ3 LYS 22 13.221 -2.996 -6.982 195 H ILE 23 HN ILE 23 11.055 -1.136 -2.026 196 HA ILE 23 HA ILE 23 13.482 -0.405 -3.388 197 HB ILE 23 HB ILE 23 11.268 1.199 -2.067 198 1HG1 ILE 23 2HG1 ILE 23 10.443 -0.149 -3.898 199 2HG1 ILE 23 1HG1 ILE 23 10.571 1.509 -4.479 200 1HG2 ILE 23 1HG2 ILE 23 13.356 2.538 -2.324 201 2HG2 ILE 23 2HG2 ILE 23 12.056 3.115 -3.365 202 3HG2 ILE 23 3HG2 ILE 23 13.366 2.149 -4.044 203 1HD1 ILE 23 1HD1 ILE 23 12.436 -0.805 -5.038 204 2HD1 ILE 23 2HD1 ILE 23 12.897 0.869 -5.345 205 3HD1 ILE 23 3HD1 ILE 23 11.526 0.163 -6.198 206 H VAL 24 HN VAL 24 12.358 0.122 -0.055 207 HA VAL 24 HA VAL 24 14.863 1.463 0.729 208 HB VAL 24 HB VAL 24 12.371 0.541 2.199 209 1HG1 VAL 24 1HG1 VAL 24 13.858 0.602 3.970 210 2HG1 VAL 24 2HG1 VAL 24 13.422 2.309 3.900 211 3HG1 VAL 24 3HG1 VAL 24 14.928 1.754 3.171 212 1HG2 VAL 24 1HG2 VAL 24 13.371 3.304 1.425 213 2HG2 VAL 24 2HG2 VAL 24 11.860 2.946 2.260 214 3HG2 VAL 24 3HG2 VAL 24 12.092 2.420 0.592 215 H LEU 25 HN LEU 25 13.422 -1.732 0.923 216 HA LEU 25 HA LEU 25 15.298 -2.824 2.865 217 1HB LEU 25 HB2 LEU 25 13.020 -3.684 2.519 218 2HB LEU 25 HB1 LEU 25 13.401 -4.069 0.842 219 HG LEU 25 HG LEU 25 15.103 -5.681 1.587 220 1HD1 LEU 25 1HD1 LEU 25 15.904 -4.820 3.639 221 2HD1 LEU 25 2HD1 LEU 25 14.998 -6.257 4.113 222 3HD1 LEU 25 3HD1 LEU 25 14.279 -4.658 4.305 223 1HD2 LEU 25 1HD2 LEU 25 12.382 -6.008 1.654 224 2HD2 LEU 25 2HD2 LEU 25 12.832 -6.524 3.279 225 3HD2 LEU 25 3HD2 LEU 25 13.543 -7.317 1.873 226 H GLY 26 HN GLY 26 15.042 -2.816 -0.698 227 1HA GLY 26 HA2 GLY 26 17.443 -4.474 -1.008 228 2HA GLY 26 HA1 GLY 26 16.517 -3.733 -2.314 229 H TRP 27 HN TRP 27 16.579 -1.072 -1.782 230 HA TRP 27 HA TRP 27 19.494 -0.444 -1.981 231 1HB TRP 27 HB2 TRP 27 16.982 0.473 -3.194 232 2HB TRP 27 HB1 TRP 27 18.022 1.804 -2.688 233 HD1 TRP 27 HD1 TRP 27 20.728 1.426 -3.479 234 HE1 TRP 27 HE1 TRP 27 21.565 0.685 -5.802 235 HE3 TRP 27 HE3 TRP 27 16.483 -0.758 -5.294 236 HZ2 TRP 27 HZ2 TRP 27 20.567 -0.653 -8.125 237 HZ3 TRP 27 HZ3 TRP 27 16.454 -1.756 -7.563 238 HH2 TRP 27 HH2 TRP 27 18.488 -1.707 -8.978 239 H ALA 28 HN ALA 28 20.469 0.899 -0.479 240 HA ALA 28 HA ALA 28 18.732 2.333 1.494 241 1HB ALA 28 HB1 ALA 28 21.185 0.680 2.171 242 2HB ALA 28 HB2 ALA 28 19.536 0.062 2.283 243 3HB ALA 28 HB3 ALA 28 20.045 1.407 3.304 Start of MODEL 31 1 1H SER 1 HT1 SER 1 -19.756 11.855 6.075 2 2H SER 1 HT2 SER 1 -18.678 13.042 5.514 3 3H SER 1 HT3 SER 1 -18.321 12.166 6.926 4 HA SER 1 HA SER 1 -18.437 11.073 4.155 5 1HB SER 1 HB2 SER 1 -16.505 12.566 5.375 6 2HB SER 1 HB1 SER 1 -16.029 10.951 5.888 7 HG SER 1 HG SER 1 -15.557 10.447 3.878 8 H GLY 2 HN GLY 2 -18.190 8.793 4.032 9 1HA GLY 2 HA2 GLY 2 -17.465 6.998 6.049 10 2HA GLY 2 HA1 GLY 2 -19.193 7.268 6.279 11 H ASN 3 HN ASN 3 -16.772 5.862 4.183 12 HA ASN 3 HA ASN 3 -18.952 4.423 2.720 13 1HB ASN 3 HB2 ASN 3 -17.813 6.518 1.593 14 2HB ASN 3 HB1 ASN 3 -16.480 5.401 1.311 15 1HD2 ASN 3 1HD2 ASN 3 -16.982 5.563 -1.055 16 2HD2 ASN 3 2HD2 ASN 3 -18.286 4.689 -1.698 17 H TYR 4 HN TYR 4 -17.838 2.585 1.356 18 HA TYR 4 HA TYR 4 -16.040 1.106 3.199 19 1HB TYR 4 HB2 TYR 4 -16.773 -0.831 1.929 20 2HB TYR 4 HB1 TYR 4 -18.184 0.160 2.281 21 HD1 TYR 4 HD1 TYR 4 -19.418 1.262 0.521 22 HD2 TYR 4 HD2 TYR 4 -15.765 -0.824 -0.353 23 HE1 TYR 4 HE1 TYR 4 -19.910 1.413 -1.904 24 HE2 TYR 4 HE2 TYR 4 -16.258 -0.670 -2.777 25 HH TYR 4 HH TYR 4 -18.305 1.385 -4.110 26 H VAL 5 HN VAL 5 -15.968 2.640 0.021 27 HA VAL 5 HA VAL 5 -13.705 1.295 -1.091 28 HB VAL 5 HB VAL 5 -15.374 2.883 -2.186 29 1HG1 VAL 5 1HG1 VAL 5 -13.505 5.031 -1.159 30 2HG1 VAL 5 2HG1 VAL 5 -15.064 4.678 -0.416 31 3HG1 VAL 5 3HG1 VAL 5 -14.991 5.250 -2.082 32 1HG2 VAL 5 1HG2 VAL 5 -13.537 2.198 -3.520 33 2HG2 VAL 5 2HG2 VAL 5 -12.389 3.144 -2.572 34 3HG2 VAL 5 3HG2 VAL 5 -13.534 3.957 -3.640 35 H LEU 6 HN LEU 6 -13.901 4.064 1.161 36 HA LEU 6 HA LEU 6 -11.140 4.824 1.122 37 1HB LEU 6 HB2 LEU 6 -13.471 5.622 2.370 38 2HB LEU 6 HB1 LEU 6 -12.569 4.928 3.715 39 HG LEU 6 HG LEU 6 -12.048 7.303 3.540 40 1HD1 LEU 6 1HD1 LEU 6 -10.230 5.573 4.053 41 2HD1 LEU 6 2HD1 LEU 6 -9.672 7.162 3.530 42 3HD1 LEU 6 3HD1 LEU 6 -9.680 5.813 2.395 43 1HD2 LEU 6 1HD2 LEU 6 -11.184 8.314 1.548 44 2HD2 LEU 6 2HD2 LEU 6 -12.601 7.391 1.051 45 3HD2 LEU 6 3HD2 LEU 6 -10.985 6.749 0.759 46 H ASP 7 HN ASP 7 -12.905 2.404 3.059 47 HA ASP 7 HA ASP 7 -10.640 1.568 4.647 48 1HB ASP 7 HB2 ASP 7 -13.422 1.006 4.346 49 2HB ASP 7 HB1 ASP 7 -12.570 -0.529 4.184 50 H LEU 8 HN LEU 8 -12.063 0.458 1.574 51 HA LEU 8 HA LEU 8 -10.370 -1.825 1.161 52 1HB LEU 8 HB2 LEU 8 -12.442 -0.350 -0.157 53 2HB LEU 8 HB1 LEU 8 -11.137 -0.621 -1.313 54 HG LEU 8 HG LEU 8 -11.303 -3.054 -0.005 55 1HD1 LEU 8 1HD1 LEU 8 -13.669 -3.656 0.033 56 2HD1 LEU 8 2HD1 LEU 8 -14.119 -2.041 -0.514 57 3HD1 LEU 8 3HD1 LEU 8 -13.410 -2.266 1.084 58 1HD2 LEU 8 1HD2 LEU 8 -11.129 -2.445 -2.494 59 2HD2 LEU 8 2HD2 LEU 8 -12.891 -2.364 -2.491 60 3HD2 LEU 8 3HD2 LEU 8 -12.077 -3.881 -2.108 61 H ILE 9 HN ILE 9 -9.883 1.627 0.524 62 HA ILE 9 HA ILE 9 -7.765 1.583 -1.329 63 HB ILE 9 HB ILE 9 -8.402 3.317 1.067 64 1HG1 ILE 9 2HG1 ILE 9 -8.490 3.945 -1.893 65 2HG1 ILE 9 1HG1 ILE 9 -9.862 3.266 -1.024 66 1HG2 ILE 9 1HG2 ILE 9 -6.167 3.630 -0.955 67 2HG2 ILE 9 2HG2 ILE 9 -6.026 3.577 0.802 68 3HG2 ILE 9 3HG2 ILE 9 -6.776 4.967 0.021 69 1HD1 ILE 9 1HD1 ILE 9 -8.667 5.989 -0.851 70 2HD1 ILE 9 2HD1 ILE 9 -9.294 5.291 0.641 71 3HD1 ILE 9 3HD1 ILE 9 -10.357 5.496 -0.752 72 H TYR 10 HN TYR 10 -7.772 0.753 2.085 73 HA TYR 10 HA TYR 10 -5.009 0.753 2.697 74 1HB TYR 10 HB2 TYR 10 -5.841 -0.149 4.621 75 2HB TYR 10 HB1 TYR 10 -7.423 -0.039 3.865 76 HD1 TYR 10 HD1 TYR 10 -8.630 -2.014 3.242 77 HD2 TYR 10 HD2 TYR 10 -4.493 -2.288 4.363 78 HE1 TYR 10 HE1 TYR 10 -8.801 -4.482 3.260 79 HE2 TYR 10 HE2 TYR 10 -4.665 -4.760 4.381 80 HH TYR 10 HH TYR 10 -6.529 -6.477 2.975 81 H SER 11 HN SER 11 -6.969 -1.822 1.151 82 HA SER 11 HA SER 11 -4.772 -3.680 0.823 83 1HB SER 11 HB2 SER 11 -7.349 -4.026 0.803 84 2HB SER 11 HB1 SER 11 -7.268 -3.521 -0.881 85 HG SER 11 HG SER 11 -5.797 -5.224 -1.244 86 H LEU 12 HN LEU 12 -6.209 -1.132 -1.197 87 HA LEU 12 HA LEU 12 -4.764 -1.661 -3.620 88 1HB LEU 12 HB2 LEU 12 -6.726 0.059 -2.747 89 2HB LEU 12 HB1 LEU 12 -5.350 1.152 -2.891 90 HG LEU 12 HG LEU 12 -6.625 1.062 -4.997 91 1HD1 LEU 12 1HD1 LEU 12 -4.046 1.223 -4.884 92 2HD1 LEU 12 2HD1 LEU 12 -4.772 0.827 -6.440 93 3HD1 LEU 12 3HD1 LEU 12 -4.053 -0.446 -5.454 94 1HD2 LEU 12 1HD2 LEU 12 -5.779 -1.818 -5.295 95 2HD2 LEU 12 2HD2 LEU 12 -7.008 -0.931 -6.196 96 3HD2 LEU 12 3HD2 LEU 12 -7.311 -1.404 -4.525 97 H HIS 13 HN HIS 13 -4.055 0.287 -0.752 98 HA HIS 13 HA HIS 13 -1.584 1.449 -1.661 99 1HB HIS 13 HB2 HIS 13 -3.219 1.941 0.353 100 2HB HIS 13 HB1 HIS 13 -2.196 0.791 1.211 101 HD1 HIS 13 HD1 HIS 13 -2.115 4.171 -0.438 102 HD2 HIS 13 HD2 HIS 13 0.425 1.713 1.767 103 HE1 HIS 13 HE1 HIS 13 -0.100 5.583 0.171 104 H LYS 14 HN LYS 14 -2.393 -1.642 -0.138 105 HA LYS 14 HA LYS 14 0.159 -2.492 0.753 106 1HB LYS 14 HB2 LYS 14 -2.263 -3.502 0.900 107 2HB LYS 14 HB1 LYS 14 -1.813 -4.329 -0.590 108 1HG LYS 14 HG2 LYS 14 0.122 -4.411 1.687 109 2HG LYS 14 HG1 LYS 14 -1.326 -5.411 1.796 110 1HD LYS 14 HD2 LYS 14 -0.193 -5.631 -0.849 111 2HD LYS 14 HD1 LYS 14 1.041 -5.984 0.359 112 1HE LYS 14 HE2 LYS 14 0.015 -8.089 0.054 113 2HE LYS 14 HE1 LYS 14 -0.852 -7.453 1.465 114 1HZ LYS 14 HZ1 LYS 14 -2.639 -6.761 0.153 115 2HZ LYS 14 HZ2 LYS 14 -2.254 -8.291 -0.475 116 3HZ LYS 14 HZ3 LYS 14 -1.765 -6.887 -1.296 117 H GLN 15 HN GLN 15 -1.223 -2.439 -2.497 118 HA GLN 15 HA GLN 15 0.747 -4.092 -3.795 119 1HB GLN 15 HB2 GLN 15 -1.207 -1.950 -4.620 120 2HB GLN 15 HB1 GLN 15 -0.088 -2.626 -5.803 121 1HG GLN 15 HG2 GLN 15 -0.950 -4.838 -5.497 122 2HG GLN 15 HG1 GLN 15 -1.859 -4.357 -4.063 123 1HE2 GLN 15 1HE2 GLN 15 -2.111 -4.804 -7.434 124 2HE2 GLN 15 2HE2 GLN 15 -3.570 -3.972 -7.676 125 H ILE 16 HN ILE 16 0.497 -0.571 -3.332 126 HA ILE 16 HA ILE 16 2.992 0.095 -4.630 127 HB ILE 16 HB ILE 16 1.303 1.491 -2.523 128 1HG1 ILE 16 2HG1 ILE 16 1.365 2.567 -5.253 129 2HG1 ILE 16 1HG1 ILE 16 0.731 0.923 -5.184 130 1HG2 ILE 16 1HG2 ILE 16 2.544 3.524 -3.730 131 2HG2 ILE 16 2HG2 ILE 16 3.787 2.298 -3.983 132 3HG2 ILE 16 3HG2 ILE 16 3.266 2.701 -2.347 133 1HD1 ILE 16 1HD1 ILE 16 -1.098 2.517 -4.880 134 2HD1 ILE 16 2HD1 ILE 16 -0.238 3.283 -3.544 135 3HD1 ILE 16 3HD1 ILE 16 -0.830 1.631 -3.379 136 H ASN 17 HN ASN 17 2.053 -0.684 -1.317 137 HA ASN 17 HA ASN 17 4.559 -0.091 -0.032 138 1HB ASN 17 HB2 ASN 17 1.968 -1.302 0.543 139 2HB ASN 17 HB1 ASN 17 3.271 -2.147 1.377 140 1HD2 ASN 17 1HD2 ASN 17 2.411 1.298 0.652 141 2HD2 ASN 17 2HD2 ASN 17 2.780 1.862 2.211 142 H ARG 18 HN ARG 18 3.292 -2.998 -1.649 143 HA ARG 18 HA ARG 18 5.283 -4.877 -0.836 144 1HB ARG 18 HB2 ARG 18 3.312 -4.519 -3.042 145 2HB ARG 18 HB1 ARG 18 4.610 -5.670 -3.350 146 1HG ARG 18 HG2 ARG 18 4.062 -6.872 -1.276 147 2HG ARG 18 HG1 ARG 18 2.790 -5.703 -0.924 148 1HD ARG 18 HD2 ARG 18 1.659 -7.554 -1.938 149 2HD ARG 18 HD1 ARG 18 1.812 -6.356 -3.239 150 HE ARG 18 HE ARG 18 4.161 -7.812 -3.432 151 1HH1 ARG 18 1HH2 ARG 18 1.725 -7.898 -5.348 152 2HH1 ARG 18 2HH2 ARG 18 1.473 -9.608 -5.449 153 1HH2 ARG 18 1HH1 ARG 18 3.448 -10.327 -2.680 154 2HH2 ARG 18 2HH1 ARG 18 2.451 -10.988 -3.931 155 H GLY 19 HN GLY 19 5.205 -2.588 -3.581 156 1HA GLY 19 HA2 GLY 19 7.907 -3.376 -4.444 157 2HA GLY 19 HA1 GLY 19 6.895 -2.145 -5.198 158 H LEU 20 HN LEU 20 6.562 -1.184 -2.176 159 HA LEU 20 HA LEU 20 8.766 0.774 -2.349 160 1HB LEU 20 HB2 LEU 20 6.526 1.573 -1.913 161 2HB LEU 20 HB1 LEU 20 6.317 0.417 -0.600 162 HG LEU 20 HG LEU 20 8.069 1.546 0.702 163 1HD1 LEU 20 1HD1 LEU 20 8.686 3.910 -0.319 164 2HD1 LEU 20 2HD1 LEU 20 8.342 3.102 -1.848 165 3HD1 LEU 20 3HD1 LEU 20 9.600 2.475 -0.782 166 1HD2 LEU 20 1HD2 LEU 20 6.093 3.582 -0.367 167 2HD2 LEU 20 2HD2 LEU 20 6.831 3.551 1.234 168 3HD2 LEU 20 3HD2 LEU 20 5.661 2.314 0.779 169 H LYS 21 HN LYS 21 7.586 -1.738 -0.120 170 HA LYS 21 HA LYS 21 9.514 -1.328 1.954 171 1HB LYS 21 HB2 LYS 21 8.776 -3.543 2.699 172 2HB LYS 21 HB1 LYS 21 7.390 -2.619 2.126 173 1HG LYS 21 HG2 LYS 21 6.957 -4.515 0.928 174 2HG LYS 21 HG1 LYS 21 8.141 -3.839 -0.187 175 1HD LYS 21 HD2 LYS 21 9.761 -5.350 0.396 176 2HD LYS 21 HD1 LYS 21 9.239 -5.415 2.079 177 1HE LYS 21 HE2 LYS 21 7.160 -6.676 1.228 178 2HE LYS 21 HE1 LYS 21 8.049 -6.869 -0.297 179 1HZ LYS 21 HZ1 LYS 21 8.470 -8.703 1.275 180 2HZ LYS 21 HZ2 LYS 21 9.114 -7.592 2.386 181 3HZ LYS 21 HZ3 LYS 21 9.883 -7.847 0.892 182 H LYS 22 HN LYS 22 9.703 -3.127 -1.077 183 HA LYS 22 HA LYS 22 12.143 -4.557 -0.419 184 1HB LYS 22 HB2 LYS 22 12.123 -5.087 -2.821 185 2HB LYS 22 HB1 LYS 22 10.500 -5.248 -2.157 186 1HG LYS 22 HG2 LYS 22 9.804 -3.852 -3.787 187 2HG LYS 22 HG1 LYS 22 10.668 -2.565 -2.948 188 1HD LYS 22 HD2 LYS 22 12.232 -2.457 -4.566 189 2HD LYS 22 HD1 LYS 22 12.498 -4.199 -4.504 190 1HE LYS 22 HE2 LYS 22 11.663 -3.976 -6.675 191 2HE LYS 22 HE1 LYS 22 10.152 -4.249 -5.787 192 1HZ LYS 22 HZ1 LYS 22 11.329 -1.559 -6.242 193 2HZ LYS 22 HZ2 LYS 22 9.794 -1.914 -5.606 194 3HZ LYS 22 HZ3 LYS 22 10.136 -2.233 -7.242 195 H ILE 23 HN ILE 23 11.426 -1.337 -1.545 196 HA ILE 23 HA ILE 23 14.132 -0.771 -2.529 197 HB ILE 23 HB ILE 23 11.660 0.882 -1.922 198 1HG1 ILE 23 2HG1 ILE 23 11.513 -0.626 -3.875 199 2HG1 ILE 23 1HG1 ILE 23 11.539 1.061 -4.385 200 1HG2 ILE 23 1HG2 ILE 23 14.427 1.705 -2.705 201 2HG2 ILE 23 2HG2 ILE 23 13.252 2.542 -1.691 202 3HG2 ILE 23 3HG2 ILE 23 13.071 2.555 -3.445 203 1HD1 ILE 23 1HD1 ILE 23 14.061 0.802 -4.681 204 2HD1 ILE 23 2HD1 ILE 23 13.063 -0.088 -5.829 205 3HD1 ILE 23 3HD1 ILE 23 13.816 -0.933 -4.476 206 H VAL 24 HN VAL 24 12.196 -0.085 0.366 207 HA VAL 24 HA VAL 24 14.196 1.474 1.751 208 HB VAL 24 HB VAL 24 11.826 -0.174 2.704 209 1HG1 VAL 24 1HG1 VAL 24 13.691 1.723 4.107 210 2HG1 VAL 24 2HG1 VAL 24 13.040 0.184 4.671 211 3HG1 VAL 24 3HG1 VAL 24 12.007 1.613 4.621 212 1HG2 VAL 24 1HG2 VAL 24 10.679 2.025 2.751 213 2HG2 VAL 24 2HG2 VAL 24 11.234 1.628 1.125 214 3HG2 VAL 24 3HG2 VAL 24 12.131 2.789 2.103 215 H LEU 25 HN LEU 25 13.487 -1.961 1.498 216 HA LEU 25 HA LEU 25 15.113 -2.938 3.650 217 1HB LEU 25 HB2 LEU 25 13.310 -4.046 2.116 218 2HB LEU 25 HB1 LEU 25 14.645 -4.333 1.006 219 HG LEU 25 HG LEU 25 14.311 -6.289 2.418 220 1HD1 LEU 25 1HD1 LEU 25 16.545 -6.630 3.064 221 2HD1 LEU 25 2HD1 LEU 25 16.767 -4.943 3.524 222 3HD1 LEU 25 3HD1 LEU 25 16.668 -5.387 1.820 223 1HD2 LEU 25 1HD2 LEU 25 13.300 -4.921 4.323 224 2HD2 LEU 25 2HD2 LEU 25 14.954 -4.543 4.806 225 3HD2 LEU 25 3HD2 LEU 25 14.395 -6.215 4.809 226 H GLY 26 HN GLY 26 15.824 -2.982 0.131 227 1HA GLY 26 HA2 GLY 26 18.623 -3.524 0.458 228 2HA GLY 26 HA1 GLY 26 17.874 -2.912 -1.017 229 H TRP 27 HN TRP 27 16.895 -0.454 -0.244 230 HA TRP 27 HA TRP 27 19.411 1.032 0.414 231 1HB TRP 27 HB2 TRP 27 18.154 1.288 -1.800 232 2HB TRP 27 HB1 TRP 27 16.866 2.056 -0.872 233 HD1 TRP 27 HD1 TRP 27 20.322 2.654 -2.259 234 HE1 TRP 27 HE1 TRP 27 21.018 5.094 -1.807 235 HE3 TRP 27 HE3 TRP 27 16.558 4.081 0.884 236 HZ2 TRP 27 HZ2 TRP 27 20.101 7.353 -0.309 237 HZ3 TRP 27 HZ3 TRP 27 16.494 6.379 1.808 238 HH2 TRP 27 HH2 TRP 27 18.259 8.015 1.215 239 H ALA 28 HN ALA 28 19.448 1.626 2.552 240 HA ALA 28 HA ALA 28 16.926 2.125 4.025 241 1HB ALA 28 HB1 ALA 28 18.814 0.769 4.935 242 2HB ALA 28 HB2 ALA 28 18.437 2.156 5.957 243 3HB ALA 28 HB3 ALA 28 19.837 2.205 4.885
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