NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
644093 | 6r2x | 34381 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 19.122 10.058 2.296 2 H2 PHE 1 HT2 PHE 1 17.940 9.551 3.393 3 H3 PHE 1 HT3 PHE 1 17.535 9.809 1.772 4 HA PHE 1 HA PHE 1 18.904 7.995 1.069 5 HB2 PHE 1 HB2 PHE 1 20.632 8.144 2.782 6 HB3 PHE 1 HB1 PHE 1 19.475 7.705 4.031 7 HD1 PHE 1 HD1 PHE 1 19.290 5.503 4.681 8 HD2 PHE 1 HD2 PHE 1 20.979 6.410 0.885 9 HE1 PHE 1 HE1 PHE 1 19.853 3.130 4.368 10 HE2 PHE 1 HE2 PHE 1 21.543 4.039 0.564 11 HZ PHE 1 HZ PHE 1 20.996 2.395 2.331 12 H GLU 2 HN GLU 2 17.463 6.542 0.410 13 HA GLU 2 HA GLU 2 15.233 5.833 2.134 14 HB2 GLU 2 HB2 GLU 2 15.863 5.150 -0.742 15 HB3 GLU 2 HB1 GLU 2 14.438 4.570 0.107 16 HG2 GLU 2 HG2 GLU 2 15.132 7.420 -0.551 17 HG3 GLU 2 HG1 GLU 2 13.828 6.448 -1.229 18 H THR 3 HN THR 3 15.023 3.960 3.169 19 HA THR 3 HA THR 3 17.266 2.149 3.211 20 HB THR 3 HB THR 3 15.741 0.953 4.917 21 HG1 THR 3 HG1 THR 3 14.067 2.286 5.735 22 HG21 THR 3 HG21 THR 3 17.656 2.342 5.546 23 HG22 THR 3 HG22 THR 3 16.318 2.557 6.672 24 HG23 THR 3 HG23 THR 3 16.648 3.785 5.451 25 H LEU 4 HN LEU 4 17.365 0.894 1.425 26 HA LEU 4 HA LEU 4 15.021 -0.047 0.079 27 HB2 LEU 4 HB2 LEU 4 17.066 0.512 -1.144 28 HB3 LEU 4 HB1 LEU 4 17.922 -0.769 -0.310 29 HG LEU 4 HG LEU 4 16.431 -2.430 -1.385 30 HD11 LEU 4 HD11 LEU 4 14.482 -1.026 -1.738 31 HD12 LEU 4 HD12 LEU 4 15.026 -1.731 -3.260 32 HD13 LEU 4 HD13 LEU 4 15.380 -0.043 -2.894 33 HD21 LEU 4 HD21 LEU 4 18.584 -1.922 -2.376 34 HD22 LEU 4 HD22 LEU 4 17.881 -0.569 -3.261 35 HD23 LEU 4 HD23 LEU 4 17.388 -2.219 -3.637 36 H ARG 5 HN ARG 5 13.928 -1.237 1.563 37 HA ARG 5 HA ARG 5 15.174 -3.685 2.594 38 HB2 ARG 5 HB2 ARG 5 12.609 -2.278 3.332 39 HB3 ARG 5 HB1 ARG 5 13.155 -3.784 4.049 40 HG2 ARG 5 HG2 ARG 5 14.771 -2.773 5.290 41 HG3 ARG 5 HG1 ARG 5 15.003 -1.467 4.124 42 HD2 ARG 5 HD2 ARG 5 12.515 -1.762 5.791 43 HD3 ARG 5 HD1 ARG 5 13.911 -0.817 6.308 44 HE ARG 5 HE ARG 5 13.509 0.353 4.016 45 HH11 ARG 5 HH11 ARG 5 11.024 -0.798 6.213 46 HH12 ARG 5 HH12 ARG 5 9.869 0.405 5.732 47 HH21 ARG 5 HH21 ARG 5 12.002 1.938 3.405 48 HH22 ARG 5 HH22 ARG 5 10.429 1.967 4.139 49 H GLY 6 HN GLY 6 12.997 -2.548 0.243 50 HA2 GLY 6 HA2 GLY 6 12.003 -3.846 -1.457 51 HA3 GLY 6 HA1 GLY 6 12.239 -5.278 -0.465 52 H ASP 7 HN ASP 7 11.099 -4.078 1.912 53 HA ASP 7 HA ASP 7 8.458 -4.928 1.598 54 HB2 ASP 7 HB2 ASP 7 9.741 -3.307 3.792 55 HB3 ASP 7 HB1 ASP 7 8.082 -3.886 3.863 56 H GLU 8 HN GLU 8 9.856 -1.866 0.933 57 HA GLU 8 HA GLU 8 7.666 -0.172 1.358 58 HB2 GLU 8 HB2 GLU 8 9.984 0.582 0.830 59 HB3 GLU 8 HB1 GLU 8 9.739 0.060 -0.832 60 HG2 GLU 8 HG2 GLU 8 7.849 1.652 -0.995 61 HG3 GLU 8 HG1 GLU 8 8.250 2.232 0.619 62 H ARG 9 HN ARG 9 8.420 -2.417 -1.206 63 HA ARG 9 HA ARG 9 6.461 -1.573 -3.068 64 HB2 ARG 9 HB2 ARG 9 7.968 -4.127 -2.633 65 HB3 ARG 9 HB1 ARG 9 6.667 -4.058 -3.813 66 HG2 ARG 9 HG2 ARG 9 9.013 -2.179 -3.829 67 HG3 ARG 9 HG1 ARG 9 8.967 -3.697 -4.727 68 HD2 ARG 9 HD2 ARG 9 7.088 -1.359 -5.035 69 HD3 ARG 9 HD1 ARG 9 8.330 -1.871 -6.179 70 HE ARG 9 HE ARG 9 6.776 -4.076 -5.928 71 HH11 ARG 9 HH11 ARG 9 6.063 -0.726 -6.675 72 HH12 ARG 9 HH12 ARG 9 4.677 -1.111 -7.642 73 HH21 ARG 9 HH21 ARG 9 4.959 -4.572 -7.191 74 HH22 ARG 9 HH22 ARG 9 4.048 -3.297 -7.936 75 H ILE 10 HN ILE 10 6.426 -3.894 -0.428 76 HA ILE 10 HA ILE 10 3.778 -4.810 -0.877 77 HB ILE 10 HB ILE 10 5.426 -4.825 1.661 78 HG12 ILE 10 HG12 ILE 10 4.864 -7.024 -0.341 79 HG13 ILE 10 HG11 ILE 10 6.372 -6.123 -0.231 80 HG21 ILE 10 HG21 ILE 10 3.062 -4.983 2.198 81 HG22 ILE 10 HG22 ILE 10 3.854 -6.537 2.462 82 HG23 ILE 10 HG23 ILE 10 2.863 -6.285 1.026 83 HD11 ILE 10 HD11 ILE 10 6.574 -8.287 0.827 84 HD12 ILE 10 HD12 ILE 10 5.215 -7.914 1.889 85 HD13 ILE 10 HD13 ILE 10 6.716 -6.998 2.024 86 H LEU 11 HN LEU 11 5.195 -2.227 1.041 87 HA LEU 11 HA LEU 11 2.928 -1.372 2.419 88 HB2 LEU 11 HB2 LEU 11 5.310 -0.618 2.752 89 HB3 LEU 11 HB1 LEU 11 5.131 0.387 1.331 90 HG LEU 11 HG LEU 11 3.338 0.715 3.729 91 HD11 LEU 11 HD11 LEU 11 5.972 2.076 3.187 92 HD12 LEU 11 HD12 LEU 11 5.640 0.933 4.489 93 HD13 LEU 11 HD13 LEU 11 4.833 2.501 4.465 94 HD21 LEU 11 HD21 LEU 11 3.078 2.981 2.843 95 HD22 LEU 11 HD22 LEU 11 2.593 1.772 1.655 96 HD23 LEU 11 HD23 LEU 11 4.151 2.585 1.501 97 H SER 12 HN SER 12 4.163 -0.374 -0.780 98 HA SER 12 HA SER 12 2.059 1.467 -1.228 99 HB2 SER 12 HB2 SER 12 2.871 1.453 -3.589 100 HB3 SER 12 HB1 SER 12 4.136 1.756 -2.399 101 HG SER 12 HG SER 12 3.604 -0.659 -3.792 102 H ILE 13 HN ILE 13 2.466 -1.948 -1.954 103 HA ILE 13 HA ILE 13 0.167 -2.179 -3.599 104 HB ILE 13 HB ILE 13 1.535 -4.280 -1.911 105 HG12 ILE 13 HG12 ILE 13 1.633 -3.782 -4.893 106 HG13 ILE 13 HG11 ILE 13 2.888 -3.297 -3.757 107 HG21 ILE 13 HG21 ILE 13 -0.597 -4.599 -4.024 108 HG22 ILE 13 HG22 ILE 13 -0.770 -4.923 -2.300 109 HG23 ILE 13 HG23 ILE 13 0.305 -5.921 -3.280 110 HD11 ILE 13 HD11 ILE 13 2.022 -6.115 -4.355 111 HD12 ILE 13 HD12 ILE 13 3.252 -5.648 -3.181 112 HD13 ILE 13 HD13 ILE 13 3.505 -5.332 -4.896 113 H LEU 14 HN LEU 14 0.714 -2.674 -0.132 114 HA LEU 14 HA LEU 14 -1.946 -3.337 0.513 115 HB2 LEU 14 HB2 LEU 14 -0.009 -3.735 1.993 116 HB3 LEU 14 HB1 LEU 14 0.144 -2.006 2.239 117 HG LEU 14 HG LEU 14 -2.022 -1.949 3.368 118 HD11 LEU 14 HD11 LEU 14 -2.060 -4.923 2.869 119 HD12 LEU 14 HD12 LEU 14 -3.163 -3.728 2.190 120 HD13 LEU 14 HD13 LEU 14 -3.176 -4.054 3.922 121 HD21 LEU 14 HD21 LEU 14 -1.396 -3.197 5.370 122 HD22 LEU 14 HD22 LEU 14 -0.007 -2.358 4.682 123 HD23 LEU 14 HD23 LEU 14 -0.194 -4.095 4.445 124 H ARG 15 HN ARG 15 -0.243 -0.251 0.281 125 HA ARG 15 HA ARG 15 -2.322 1.420 1.132 126 HB2 ARG 15 HB2 ARG 15 -0.056 2.251 0.782 127 HB3 ARG 15 HB1 ARG 15 -0.185 1.933 -0.943 128 HG2 ARG 15 HG2 ARG 15 -1.966 3.598 -1.116 129 HG3 ARG 15 HG1 ARG 15 -1.827 3.922 0.613 130 HD2 ARG 15 HD2 ARG 15 0.480 4.649 0.298 131 HD3 ARG 15 HD1 ARG 15 0.366 4.292 -1.424 132 HE ARG 15 HE ARG 15 -1.650 6.132 -0.567 133 HH11 ARG 15 HH11 ARG 15 1.723 5.876 -1.456 134 HH12 ARG 15 HH12 ARG 15 1.844 7.524 -1.983 135 HH21 ARG 15 HH21 ARG 15 -1.507 8.295 -1.273 136 HH22 ARG 15 HH22 ARG 15 0.002 8.901 -1.878 137 H HIS 16 HN HIS 16 -1.644 -0.051 -1.993 138 HA HIS 16 HA HIS 16 -3.769 1.240 -3.379 139 HB2 HIS 16 HB2 HIS 16 -2.153 -1.233 -3.966 140 HB3 HIS 16 HB1 HIS 16 -3.489 -0.736 -4.997 141 HD1 HIS 16 HD1 HIS 16 -1.573 -0.512 -6.858 142 HD2 HIS 16 HD2 HIS 16 -1.438 2.238 -3.747 143 HE1 HIS 16 HE1 HIS 16 -0.063 1.329 -7.653 144 HE2 HIS 16 HE2 HIS 16 -0.144 3.062 -5.826 145 H GLN 17 HN GLN 17 -3.478 -1.796 -1.615 146 HA GLN 17 HA GLN 17 -6.051 -2.803 -2.167 147 HB2 GLN 17 HB2 GLN 17 -4.359 -3.173 0.316 148 HB3 GLN 17 HB1 GLN 17 -5.781 -4.121 -0.080 149 HG2 GLN 17 HG2 GLN 17 -3.154 -4.075 -1.552 150 HG3 GLN 17 HG1 GLN 17 -3.836 -5.398 -0.609 151 HE21 GLN 17 HE21 GLN 17 -3.827 -3.748 -3.630 152 HE22 GLN 17 HE22 GLN 17 -4.871 -4.839 -4.473 153 H ASN 18 HN ASN 18 -4.840 -0.486 0.149 154 HA ASN 18 HA ASN 18 -7.174 -0.250 1.723 155 HB2 ASN 18 HB2 ASN 18 -5.023 0.532 2.543 156 HB3 ASN 18 HB1 ASN 18 -4.916 1.703 1.236 157 HD21 ASN 18 HD21 ASN 18 -5.958 3.649 1.435 158 HD22 ASN 18 HD22 ASN 18 -6.814 4.127 2.856 159 H LEU 19 HN LEU 19 -6.123 1.290 -1.243 160 HA LEU 19 HA LEU 19 -8.265 3.192 -1.315 161 HB2 LEU 19 HB2 LEU 19 -6.367 2.237 -3.455 162 HB3 LEU 19 HB1 LEU 19 -7.531 3.526 -3.683 163 HG LEU 19 HG LEU 19 -5.247 3.575 -1.708 164 HD11 LEU 19 HD11 LEU 19 -4.444 3.709 -3.992 165 HD12 LEU 19 HD12 LEU 19 -4.306 5.280 -3.204 166 HD13 LEU 19 HD13 LEU 19 -5.613 4.980 -4.350 167 HD21 LEU 19 HD21 LEU 19 -7.250 5.692 -2.486 168 HD22 LEU 19 HD22 LEU 19 -5.848 5.942 -1.446 169 HD23 LEU 19 HD23 LEU 19 -7.150 4.873 -0.928 170 H LEU 20 HN LEU 20 -7.704 -0.026 -2.589 171 HA LEU 20 HA LEU 20 -10.014 -0.092 -4.261 172 HB2 LEU 20 HB2 LEU 20 -8.381 -2.343 -3.081 173 HB3 LEU 20 HB1 LEU 20 -9.615 -2.540 -4.310 174 HG LEU 20 HG LEU 20 -7.048 -0.984 -4.643 175 HD11 LEU 20 HD11 LEU 20 -6.646 -3.371 -4.516 176 HD12 LEU 20 HD12 LEU 20 -6.427 -2.800 -6.170 177 HD13 LEU 20 HD13 LEU 20 -7.896 -3.667 -5.725 178 HD21 LEU 20 HD21 LEU 20 -7.685 -0.878 -7.008 179 HD22 LEU 20 HD22 LEU 20 -8.852 -0.049 -5.981 180 HD23 LEU 20 HD23 LEU 20 -9.225 -1.647 -6.625 181 H LYS 21 HN LYS 21 -9.343 -0.948 -0.927 182 HA LYS 21 HA LYS 21 -11.879 -2.196 -0.481 183 HB2 LYS 21 HB2 LYS 21 -9.889 -2.741 0.878 184 HB3 LYS 21 HB1 LYS 21 -9.890 -1.103 1.513 185 HG2 LYS 21 HG2 LYS 21 -12.095 -1.498 2.510 186 HG3 LYS 21 HG1 LYS 21 -12.054 -3.157 1.911 187 HD2 LYS 21 HD2 LYS 21 -10.065 -3.599 3.256 188 HD3 LYS 21 HD1 LYS 21 -10.078 -1.931 3.834 189 HE2 LYS 21 HE2 LYS 21 -12.258 -2.299 4.869 190 HE3 LYS 21 HE1 LYS 21 -12.267 -3.958 4.276 191 HZ1 LYS 21 HZ1 LYS 21 -11.587 -3.830 6.592 192 HZ2 LYS 21 HZ2 LYS 21 -10.287 -2.825 6.174 193 HZ3 LYS 21 HZ3 LYS 21 -10.329 -4.422 5.620 194 H GLU 22 HN GLU 22 -13.404 -0.714 -1.182 195 HA GLU 22 HA GLU 22 -13.644 1.760 0.384 196 HB2 GLU 22 HB2 GLU 22 -15.088 0.933 -2.142 197 HB3 GLU 22 HB1 GLU 22 -15.222 2.493 -1.341 198 HG2 GLU 22 HG2 GLU 22 -12.858 2.919 -1.769 199 HG3 GLU 22 HG1 GLU 22 -12.723 1.357 -2.573 200 H LEU 23 HN LEU 23 -14.282 -1.013 1.219 201 HA LEU 23 HA LEU 23 -17.073 -0.572 2.007 202 HB2 LEU 23 HB2 LEU 23 -15.845 -3.186 1.124 203 HB3 LEU 23 HB1 LEU 23 -17.433 -3.028 1.846 204 HG LEU 23 HG LEU 23 -16.599 -1.806 -0.789 205 HD11 LEU 23 HD11 LEU 23 -18.323 -4.204 -0.191 206 HD12 LEU 23 HD12 LEU 23 -16.721 -4.228 -0.927 207 HD13 LEU 23 HD13 LEU 23 -18.073 -3.488 -1.783 208 HD21 LEU 23 HD21 LEU 23 -19.291 -1.953 0.567 209 HD22 LEU 23 HD22 LEU 23 -18.990 -1.345 -1.061 210 HD23 LEU 23 HD23 LEU 23 -18.321 -0.499 0.335 211 H GLN 24 HN GLN 24 -17.615 -1.331 4.041 212 HA GLN 24 HA GLN 24 -15.363 -1.349 5.858 213 HB2 GLN 24 HB2 GLN 24 -18.329 -1.022 6.172 214 HB3 GLN 24 HB1 GLN 24 -17.314 -1.335 7.571 215 HG2 GLN 24 HG2 GLN 24 -17.797 1.050 7.245 216 HG3 GLN 24 HG1 GLN 24 -16.077 0.686 7.197 217 HE21 GLN 24 HE21 GLN 24 -14.948 0.963 5.304 218 HE22 GLN 24 HE22 GLN 24 -15.598 1.809 3.941 219 H ASP 25 HN ASP 25 -15.729 -2.777 7.889 220 HA ASP 25 HA ASP 25 -16.081 -5.518 6.903 221 HB2 ASP 25 HB2 ASP 25 -14.566 -4.540 9.337 222 HB3 ASP 25 HB1 ASP 25 -14.677 -6.213 8.804 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 24.607 3.244 -4.011 2 H2 PHE 1 HT2 PHE 1 24.670 3.046 -5.686 3 H3 PHE 1 HT3 PHE 1 24.287 1.735 -4.696 4 HA PHE 1 HA PHE 1 22.665 4.176 -5.088 5 HB2 PHE 1 HB2 PHE 1 22.782 2.365 -6.924 6 HB3 PHE 1 HB1 PHE 1 21.898 1.348 -5.793 7 HD1 PHE 1 HD1 PHE 1 19.677 1.187 -6.291 8 HD2 PHE 1 HD2 PHE 1 21.660 4.893 -6.913 9 HE1 PHE 1 HE1 PHE 1 17.567 2.184 -7.063 10 HE2 PHE 1 HE2 PHE 1 19.555 5.900 -7.681 11 HZ PHE 1 HZ PHE 1 17.502 4.544 -7.760 12 H GLU 2 HN GLU 2 22.349 0.814 -3.903 13 HA GLU 2 HA GLU 2 21.427 -0.068 -2.033 14 HB2 GLU 2 HB2 GLU 2 22.520 2.482 -0.844 15 HB3 GLU 2 HB1 GLU 2 21.973 1.104 0.098 16 HG2 GLU 2 HG2 GLU 2 24.271 1.142 -1.850 17 HG3 GLU 2 HG1 GLU 2 24.380 1.103 -0.091 18 H THR 3 HN THR 3 19.279 0.078 -2.831 19 HA THR 3 HA THR 3 17.640 1.949 -1.284 20 HB THR 3 HB THR 3 16.090 2.098 -3.272 21 HG1 THR 3 HG1 THR 3 18.048 0.509 -4.319 22 HG21 THR 3 HG21 THR 3 18.845 3.288 -3.565 23 HG22 THR 3 HG22 THR 3 17.519 3.958 -2.617 24 HG23 THR 3 HG23 THR 3 17.388 3.862 -4.373 25 H LEU 4 HN LEU 4 17.130 0.292 0.142 26 HA LEU 4 HA LEU 4 15.999 -2.177 -0.803 27 HB2 LEU 4 HB2 LEU 4 17.312 -2.091 1.264 28 HB3 LEU 4 HB1 LEU 4 16.136 -1.006 1.974 29 HG LEU 4 HG LEU 4 14.435 -2.821 1.812 30 HD11 LEU 4 HD11 LEU 4 15.227 -5.115 1.441 31 HD12 LEU 4 HD12 LEU 4 16.812 -4.485 0.998 32 HD13 LEU 4 HD13 LEU 4 15.406 -4.109 0.005 33 HD21 LEU 4 HD21 LEU 4 16.933 -3.476 3.366 34 HD22 LEU 4 HD22 LEU 4 15.323 -4.126 3.679 35 HD23 LEU 4 HD23 LEU 4 15.634 -2.403 3.887 36 H ARG 5 HN ARG 5 14.273 -1.467 -2.051 37 HA ARG 5 HA ARG 5 12.095 -0.066 -0.683 38 HB2 ARG 5 HB2 ARG 5 12.416 -0.747 -3.605 39 HB3 ARG 5 HB1 ARG 5 11.132 0.231 -2.915 40 HG2 ARG 5 HG2 ARG 5 12.761 1.909 -2.234 41 HG3 ARG 5 HG1 ARG 5 14.062 0.922 -2.903 42 HD2 ARG 5 HD2 ARG 5 13.496 2.642 -4.486 43 HD3 ARG 5 HD1 ARG 5 12.980 1.082 -5.125 44 HE ARG 5 HE ARG 5 10.867 2.373 -3.708 45 HH11 ARG 5 HH11 ARG 5 12.582 2.389 -6.772 46 HH12 ARG 5 HH12 ARG 5 11.253 3.071 -7.647 47 HH21 ARG 5 HH21 ARG 5 9.142 3.265 -4.846 48 HH22 ARG 5 HH22 ARG 5 9.285 3.570 -6.554 49 H GLY 6 HN GLY 6 12.986 -3.065 -0.697 50 HA2 GLY 6 HA2 GLY 6 10.993 -4.664 -1.779 51 HA3 GLY 6 HA1 GLY 6 11.914 -5.068 -0.340 52 H ASP 7 HN ASP 7 11.102 -3.328 1.522 53 HA ASP 7 HA ASP 7 8.526 -4.303 2.208 54 HB2 ASP 7 HB2 ASP 7 8.724 -3.004 4.215 55 HB3 ASP 7 HB1 ASP 7 10.304 -3.695 3.867 56 H GLU 8 HN GLU 8 9.725 -1.418 0.724 57 HA GLU 8 HA GLU 8 7.482 0.239 1.042 58 HB2 GLU 8 HB2 GLU 8 9.687 1.059 0.350 59 HB3 GLU 8 HB1 GLU 8 9.540 0.191 -1.170 60 HG2 GLU 8 HG2 GLU 8 7.533 1.579 -1.673 61 HG3 GLU 8 HG1 GLU 8 7.903 2.529 -0.234 62 H ARG 9 HN ARG 9 8.338 -2.181 -1.365 63 HA ARG 9 HA ARG 9 6.247 -1.705 -3.185 64 HB2 ARG 9 HB2 ARG 9 7.793 -4.200 -2.510 65 HB3 ARG 9 HB1 ARG 9 6.590 -4.150 -3.787 66 HG2 ARG 9 HG2 ARG 9 9.063 -2.441 -3.662 67 HG3 ARG 9 HG1 ARG 9 8.868 -3.898 -4.639 68 HD2 ARG 9 HD2 ARG 9 7.281 -1.347 -4.871 69 HD3 ARG 9 HD1 ARG 9 8.502 -1.930 -5.999 70 HE ARG 9 HE ARG 9 6.772 -3.955 -6.043 71 HH11 ARG 9 HH11 ARG 9 6.194 -0.503 -6.139 72 HH12 ARG 9 HH12 ARG 9 4.793 -0.635 -7.156 73 HH21 ARG 9 HH21 ARG 9 4.931 -4.137 -7.381 74 HH22 ARG 9 HH22 ARG 9 4.074 -2.709 -7.864 75 H ILE 10 HN ILE 10 6.481 -3.854 -0.403 76 HA ILE 10 HA ILE 10 3.873 -4.937 -0.646 77 HB ILE 10 HB ILE 10 5.625 -4.701 1.811 78 HG12 ILE 10 HG12 ILE 10 5.238 -7.004 -0.120 79 HG13 ILE 10 HG11 ILE 10 6.658 -5.967 -0.051 80 HG21 ILE 10 HG21 ILE 10 3.229 -6.464 1.306 81 HG22 ILE 10 HG22 ILE 10 3.284 -5.082 2.398 82 HG23 ILE 10 HG23 ILE 10 4.262 -6.511 2.735 83 HD11 ILE 10 HD11 ILE 10 7.122 -6.763 2.208 84 HD12 ILE 10 HD12 ILE 10 7.066 -8.084 1.042 85 HD13 ILE 10 HD13 ILE 10 5.704 -7.806 2.126 86 H LEU 11 HN LEU 11 5.212 -2.125 0.928 87 HA LEU 11 HA LEU 11 2.933 -1.408 2.446 88 HB2 LEU 11 HB2 LEU 11 5.327 -0.616 2.753 89 HB3 LEU 11 HB1 LEU 11 5.068 0.441 1.384 90 HG LEU 11 HG LEU 11 3.338 0.599 3.845 91 HD11 LEU 11 HD11 LEU 11 5.912 2.068 3.281 92 HD12 LEU 11 HD12 LEU 11 5.645 0.878 4.556 93 HD13 LEU 11 HD13 LEU 11 4.794 2.421 4.599 94 HD21 LEU 11 HD21 LEU 11 2.500 1.706 1.830 95 HD22 LEU 11 HD22 LEU 11 4.018 2.592 1.683 96 HD23 LEU 11 HD23 LEU 11 2.958 2.881 3.063 97 H SER 12 HN SER 12 4.129 -0.392 -0.757 98 HA SER 12 HA SER 12 2.043 1.483 -1.178 99 HB2 SER 12 HB2 SER 12 2.841 1.518 -3.520 100 HB3 SER 12 HB1 SER 12 4.154 1.706 -2.359 101 HG SER 12 HG SER 12 5.021 0.098 -3.382 102 H ILE 13 HN ILE 13 2.521 -1.884 -2.165 103 HA ILE 13 HA ILE 13 0.172 -2.115 -3.691 104 HB ILE 13 HB ILE 13 1.679 -4.209 -2.121 105 HG12 ILE 13 HG12 ILE 13 1.534 -3.625 -5.088 106 HG13 ILE 13 HG11 ILE 13 2.871 -3.180 -4.035 107 HG21 ILE 13 HG21 ILE 13 -0.603 -4.958 -2.326 108 HG22 ILE 13 HG22 ILE 13 0.405 -5.869 -3.453 109 HG23 ILE 13 HG23 ILE 13 -0.618 -4.557 -4.043 110 HD11 ILE 13 HD11 ILE 13 3.394 -5.160 -5.327 111 HD12 ILE 13 HD12 ILE 13 1.977 -5.981 -4.674 112 HD13 ILE 13 HD13 ILE 13 3.313 -5.546 -3.608 113 H LEU 14 HN LEU 14 0.799 -2.612 -0.247 114 HA LEU 14 HA LEU 14 -1.842 -3.361 0.424 115 HB2 LEU 14 HB2 LEU 14 0.190 -3.711 1.848 116 HB3 LEU 14 HB1 LEU 14 0.173 -1.994 2.202 117 HG LEU 14 HG LEU 14 -2.072 -2.257 3.221 118 HD11 LEU 14 HD11 LEU 14 -2.851 -4.197 2.017 119 HD12 LEU 14 HD12 LEU 14 -2.848 -4.537 3.745 120 HD13 LEU 14 HD13 LEU 14 -1.571 -5.185 2.719 121 HD21 LEU 14 HD21 LEU 14 -0.037 -2.319 4.585 122 HD22 LEU 14 HD22 LEU 14 0.048 -4.067 4.370 123 HD23 LEU 14 HD23 LEU 14 -1.302 -3.350 5.248 124 H ARG 15 HN ARG 15 -0.222 -0.276 0.065 125 HA ARG 15 HA ARG 15 -2.277 1.343 1.123 126 HB2 ARG 15 HB2 ARG 15 0.020 2.160 0.693 127 HB3 ARG 15 HB1 ARG 15 -0.269 2.019 -1.036 128 HG2 ARG 15 HG2 ARG 15 -1.985 3.712 -0.929 129 HG3 ARG 15 HG1 ARG 15 -1.818 3.806 0.824 130 HD2 ARG 15 HD2 ARG 15 0.534 4.521 0.519 131 HD3 ARG 15 HD1 ARG 15 0.278 4.519 -1.225 132 HE ARG 15 HE ARG 15 -1.663 6.145 0.054 133 HH11 ARG 15 HH11 ARG 15 1.711 6.103 -0.886 134 HH12 ARG 15 HH12 ARG 15 1.839 7.829 -0.968 135 HH21 ARG 15 HH21 ARG 15 -1.494 8.410 -0.041 136 HH22 ARG 15 HH22 ARG 15 0.015 9.148 -0.481 137 H HIS 16 HN HIS 16 -1.658 -0.017 -2.053 138 HA HIS 16 HA HIS 16 -3.828 1.265 -3.362 139 HB2 HIS 16 HB2 HIS 16 -2.258 -1.226 -4.028 140 HB3 HIS 16 HB1 HIS 16 -3.572 -0.639 -5.038 141 HD1 HIS 16 HD1 HIS 16 -1.855 -0.261 -6.977 142 HD2 HIS 16 HD2 HIS 16 -1.188 2.043 -3.585 143 HE1 HIS 16 HE1 HIS 16 -0.206 1.506 -7.675 144 HE2 HIS 16 HE2 HIS 16 0.293 2.798 -5.567 145 H GLN 17 HN GLN 17 -3.519 -1.704 -1.511 146 HA GLN 17 HA GLN 17 -6.117 -2.695 -2.123 147 HB2 GLN 17 HB2 GLN 17 -4.366 -3.265 0.280 148 HB3 GLN 17 HB1 GLN 17 -5.815 -4.157 -0.149 149 HG2 GLN 17 HG2 GLN 17 -3.173 -4.100 -1.572 150 HG3 GLN 17 HG1 GLN 17 -4.016 -5.478 -0.867 151 HE21 GLN 17 HE21 GLN 17 -3.697 -3.415 -3.603 152 HE22 GLN 17 HE22 GLN 17 -4.766 -4.280 -4.651 153 H ASN 18 HN ASN 18 -4.809 -0.512 0.277 154 HA ASN 18 HA ASN 18 -7.085 -0.326 1.939 155 HB2 ASN 18 HB2 ASN 18 -4.878 0.489 2.644 156 HB3 ASN 18 HB1 ASN 18 -4.929 1.729 1.395 157 HD21 ASN 18 HD21 ASN 18 -4.816 3.465 2.751 158 HD22 ASN 18 HD22 ASN 18 -6.078 3.891 3.847 159 H LEU 19 HN LEU 19 -6.099 1.385 -0.965 160 HA LEU 19 HA LEU 19 -8.317 3.200 -0.922 161 HB2 LEU 19 HB2 LEU 19 -6.394 2.496 -3.137 162 HB3 LEU 19 HB1 LEU 19 -7.542 3.820 -3.183 163 HG LEU 19 HG LEU 19 -5.243 3.581 -1.237 164 HD11 LEU 19 HD11 LEU 19 -4.470 3.986 -3.507 165 HD12 LEU 19 HD12 LEU 19 -4.270 5.429 -2.515 166 HD13 LEU 19 HD13 LEU 19 -5.600 5.328 -3.668 167 HD21 LEU 19 HD21 LEU 19 -7.232 5.798 -1.722 168 HD22 LEU 19 HD22 LEU 19 -5.806 5.915 -0.693 169 HD23 LEU 19 HD23 LEU 19 -7.103 4.798 -0.276 170 H LEU 20 HN LEU 20 -7.572 0.132 -2.444 171 HA LEU 20 HA LEU 20 -9.813 0.082 -4.188 172 HB2 LEU 20 HB2 LEU 20 -7.731 -1.256 -4.480 173 HB3 LEU 20 HB1 LEU 20 -8.205 -2.229 -3.103 174 HG LEU 20 HG LEU 20 -10.254 -2.910 -4.362 175 HD11 LEU 20 HD11 LEU 20 -8.877 -1.486 -6.635 176 HD12 LEU 20 HD12 LEU 20 -10.407 -1.029 -5.886 177 HD13 LEU 20 HD13 LEU 20 -10.283 -2.538 -6.787 178 HD21 LEU 20 HD21 LEU 20 -8.264 -4.326 -4.274 179 HD22 LEU 20 HD22 LEU 20 -7.620 -3.513 -5.700 180 HD23 LEU 20 HD23 LEU 20 -9.092 -4.475 -5.823 181 H LYS 21 HN LYS 21 -9.307 -0.682 -0.864 182 HA LYS 21 HA LYS 21 -11.427 -2.394 -0.303 183 HB2 LYS 21 HB2 LYS 21 -9.645 -1.790 1.290 184 HB3 LYS 21 HB1 LYS 21 -10.308 -0.168 1.412 185 HG2 LYS 21 HG2 LYS 21 -12.423 -1.201 2.276 186 HG3 LYS 21 HG1 LYS 21 -11.556 -2.738 2.345 187 HD2 LYS 21 HD2 LYS 21 -10.798 -0.201 3.798 188 HD3 LYS 21 HD1 LYS 21 -11.552 -1.621 4.520 189 HE2 LYS 21 HE2 LYS 21 -8.838 -1.577 3.191 190 HE3 LYS 21 HE1 LYS 21 -9.117 -1.517 4.928 191 HZ1 LYS 21 HZ1 LYS 21 -8.590 -3.747 4.240 192 HZ2 LYS 21 HZ2 LYS 21 -9.855 -3.749 3.120 193 HZ3 LYS 21 HZ3 LYS 21 -10.194 -3.689 4.774 194 H GLU 22 HN GLU 22 -13.454 -2.069 -0.950 195 HA GLU 22 HA GLU 22 -15.442 -1.102 -1.439 196 HB2 GLU 22 HB2 GLU 22 -14.680 0.620 0.922 197 HB3 GLU 22 HB1 GLU 22 -16.270 0.623 0.170 198 HG2 GLU 22 HG2 GLU 22 -16.486 -1.777 0.702 199 HG3 GLU 22 HG1 GLU 22 -14.937 -1.702 1.540 200 H LEU 23 HN LEU 23 -13.537 -0.352 -3.141 201 HA LEU 23 HA LEU 23 -13.436 2.508 -3.448 202 HB2 LEU 23 HB2 LEU 23 -11.601 1.045 -4.204 203 HB3 LEU 23 HB1 LEU 23 -12.680 0.299 -5.366 204 HG LEU 23 HG LEU 23 -12.915 2.510 -6.494 205 HD11 LEU 23 HD11 LEU 23 -10.737 3.317 -4.574 206 HD12 LEU 23 HD12 LEU 23 -12.375 3.968 -4.639 207 HD13 LEU 23 HD13 LEU 23 -11.260 4.250 -5.975 208 HD21 LEU 23 HD21 LEU 23 -10.115 1.426 -6.230 209 HD22 LEU 23 HD22 LEU 23 -10.690 2.470 -7.529 210 HD23 LEU 23 HD23 LEU 23 -11.359 0.850 -7.339 211 H GLN 24 HN GLN 24 -15.655 3.013 -3.463 212 HA GLN 24 HA GLN 24 -17.178 2.008 -5.762 213 HB2 GLN 24 HB2 GLN 24 -18.175 3.416 -3.277 214 HB3 GLN 24 HB1 GLN 24 -19.177 2.731 -4.549 215 HG2 GLN 24 HG2 GLN 24 -17.400 1.233 -2.636 216 HG3 GLN 24 HG1 GLN 24 -19.161 1.248 -2.667 217 HE21 GLN 24 HE21 GLN 24 -20.242 0.100 -4.283 218 HE22 GLN 24 HE22 GLN 24 -19.454 -1.122 -5.219 219 H ASP 25 HN ASP 25 -17.636 3.346 -7.409 220 HA ASP 25 HA ASP 25 -16.988 6.190 -7.033 221 HB2 ASP 25 HB2 ASP 25 -16.852 4.468 -9.513 222 HB3 ASP 25 HB1 ASP 25 -16.714 6.221 -9.546 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 23.486 4.107 4.037 2 H2 PHE 1 HT2 PHE 1 23.879 2.702 4.884 3 H3 PHE 1 HT3 PHE 1 23.852 4.192 5.686 4 HA PHE 1 HA PHE 1 21.899 2.946 6.247 5 HB2 PHE 1 HB2 PHE 1 21.701 5.393 6.057 6 HB3 PHE 1 HB1 PHE 1 21.322 5.238 4.348 7 HD1 PHE 1 HD1 PHE 1 20.104 3.872 7.601 8 HD2 PHE 1 HD2 PHE 1 19.123 5.443 3.771 9 HE1 PHE 1 HE1 PHE 1 17.712 3.726 8.156 10 HE2 PHE 1 HE2 PHE 1 16.733 5.298 4.320 11 HZ PHE 1 HZ PHE 1 16.021 4.439 6.514 12 H GLU 2 HN GLU 2 21.625 3.858 2.817 13 HA GLU 2 HA GLU 2 20.812 2.813 0.998 14 HB2 GLU 2 HB2 GLU 2 22.339 0.966 1.628 15 HB3 GLU 2 HB1 GLU 2 21.059 0.260 2.604 16 HG2 GLU 2 HG2 GLU 2 21.300 -0.833 0.425 17 HG3 GLU 2 HG1 GLU 2 19.706 -0.106 0.639 18 H THR 3 HN THR 3 18.810 3.265 0.495 19 HA THR 3 HA THR 3 16.636 2.988 2.291 20 HB THR 3 HB THR 3 15.263 3.584 0.246 21 HG1 THR 3 HG1 THR 3 17.155 2.720 -1.126 22 HG21 THR 3 HG21 THR 3 16.085 5.888 0.174 23 HG22 THR 3 HG22 THR 3 17.582 5.379 0.952 24 HG23 THR 3 HG23 THR 3 16.053 5.271 1.824 25 H LEU 4 HN LEU 4 15.651 1.145 2.782 26 HA LEU 4 HA LEU 4 15.831 -1.139 1.005 27 HB2 LEU 4 HB2 LEU 4 16.127 -1.383 3.451 28 HB3 LEU 4 HB1 LEU 4 14.470 -0.867 3.685 29 HG LEU 4 HG LEU 4 13.695 -2.857 2.449 30 HD11 LEU 4 HD11 LEU 4 15.646 -3.201 1.032 31 HD12 LEU 4 HD12 LEU 4 15.276 -4.656 1.957 32 HD13 LEU 4 HD13 LEU 4 16.612 -3.616 2.448 33 HD21 LEU 4 HD21 LEU 4 14.225 -4.485 4.181 34 HD22 LEU 4 HD22 LEU 4 13.870 -2.906 4.879 35 HD23 LEU 4 HD23 LEU 4 15.539 -3.459 4.752 36 H ARG 5 HN ARG 5 14.611 -0.221 -0.705 37 HA ARG 5 HA ARG 5 11.868 0.536 -0.208 38 HB2 ARG 5 HB2 ARG 5 13.415 0.368 -2.788 39 HB3 ARG 5 HB1 ARG 5 11.795 1.026 -2.621 40 HG2 ARG 5 HG2 ARG 5 12.736 2.700 -1.011 41 HG3 ARG 5 HG1 ARG 5 14.342 2.117 -1.457 42 HD2 ARG 5 HD2 ARG 5 13.757 4.098 -2.745 43 HD3 ARG 5 HD1 ARG 5 13.892 2.686 -3.794 44 HE ARG 5 HE ARG 5 11.229 3.416 -2.812 45 HH11 ARG 5 HH11 ARG 5 13.517 3.305 -5.475 46 HH12 ARG 5 HH12 ARG 5 12.304 3.577 -6.684 47 HH21 ARG 5 HH21 ARG 5 9.647 3.740 -4.399 48 HH22 ARG 5 HH22 ARG 5 10.106 3.840 -6.076 49 H GLY 6 HN GLY 6 13.303 -2.369 -0.501 50 HA2 GLY 6 HA2 GLY 6 11.607 -3.831 -2.190 51 HA3 GLY 6 HA1 GLY 6 12.429 -4.481 -0.776 52 H ASP 7 HN ASP 7 11.309 -3.174 1.291 53 HA ASP 7 HA ASP 7 8.769 -4.429 1.481 54 HB2 ASP 7 HB2 ASP 7 10.229 -2.587 3.368 55 HB3 ASP 7 HB1 ASP 7 8.663 -3.304 3.738 56 H GLU 8 HN GLU 8 9.790 -1.368 0.427 57 HA GLU 8 HA GLU 8 7.514 0.185 0.958 58 HB2 GLU 8 HB2 GLU 8 9.641 1.127 0.143 59 HB3 GLU 8 HB1 GLU 8 9.395 0.334 -1.405 60 HG2 GLU 8 HG2 GLU 8 7.225 1.665 -1.541 61 HG3 GLU 8 HG1 GLU 8 7.878 2.623 -0.214 62 H ARG 9 HN ARG 9 8.272 -2.160 -1.539 63 HA ARG 9 HA ARG 9 6.045 -1.675 -3.209 64 HB2 ARG 9 HB2 ARG 9 7.798 -4.084 -2.784 65 HB3 ARG 9 HB1 ARG 9 6.452 -4.108 -3.914 66 HG2 ARG 9 HG2 ARG 9 8.679 -2.090 -4.042 67 HG3 ARG 9 HG1 ARG 9 8.698 -3.621 -4.915 68 HD2 ARG 9 HD2 ARG 9 6.597 -1.472 -5.188 69 HD3 ARG 9 HD1 ARG 9 7.912 -1.767 -6.322 70 HE ARG 9 HE ARG 9 6.578 -4.168 -6.093 71 HH11 ARG 9 HH11 ARG 9 5.778 -0.909 -7.097 72 HH12 ARG 9 HH12 ARG 9 4.538 -1.413 -8.199 73 HH21 ARG 9 HH21 ARG 9 4.944 -4.833 -7.544 74 HH22 ARG 9 HH22 ARG 9 4.069 -3.649 -8.458 75 H ILE 10 HN ILE 10 6.523 -3.723 -0.401 76 HA ILE 10 HA ILE 10 3.972 -4.957 -0.466 77 HB ILE 10 HB ILE 10 5.803 -4.443 1.888 78 HG12 ILE 10 HG12 ILE 10 5.355 -6.946 0.247 79 HG13 ILE 10 HG11 ILE 10 6.764 -5.900 0.130 80 HG21 ILE 10 HG21 ILE 10 3.399 -6.253 1.690 81 HG22 ILE 10 HG22 ILE 10 3.514 -4.774 2.642 82 HG23 ILE 10 HG23 ILE 10 4.510 -6.169 3.057 83 HD11 ILE 10 HD11 ILE 10 7.334 -6.423 2.452 84 HD12 ILE 10 HD12 ILE 10 7.248 -7.872 1.449 85 HD13 ILE 10 HD13 ILE 10 5.926 -7.482 2.549 86 H LEU 11 HN LEU 11 5.248 -2.038 0.995 87 HA LEU 11 HA LEU 11 2.954 -1.310 2.468 88 HB2 LEU 11 HB2 LEU 11 5.317 -0.461 2.762 89 HB3 LEU 11 HB1 LEU 11 5.068 0.528 1.341 90 HG LEU 11 HG LEU 11 3.272 0.790 3.741 91 HD11 LEU 11 HD11 LEU 11 4.738 2.640 4.467 92 HD12 LEU 11 HD12 LEU 11 5.912 2.159 3.243 93 HD13 LEU 11 HD13 LEU 11 5.524 1.066 4.569 94 HD21 LEU 11 HD21 LEU 11 2.964 3.055 2.869 95 HD22 LEU 11 HD22 LEU 11 2.535 1.846 1.657 96 HD23 LEU 11 HD23 LEU 11 4.073 2.704 1.542 97 H SER 12 HN SER 12 4.098 -0.448 -0.784 98 HA SER 12 HA SER 12 2.040 1.442 -1.255 99 HB2 SER 12 HB2 SER 12 2.827 1.317 -3.625 100 HB3 SER 12 HB1 SER 12 4.100 1.655 -2.454 101 HG SER 12 HG SER 12 5.064 -0.072 -3.122 102 H ILE 13 HN ILE 13 2.444 -1.964 -2.151 103 HA ILE 13 HA ILE 13 0.052 -2.130 -3.644 104 HB ILE 13 HB ILE 13 1.581 -4.286 -2.186 105 HG12 ILE 13 HG12 ILE 13 1.396 -3.582 -5.125 106 HG13 ILE 13 HG11 ILE 13 2.754 -3.199 -4.075 107 HG21 ILE 13 HG21 ILE 13 -0.724 -4.991 -2.387 108 HG22 ILE 13 HG22 ILE 13 0.268 -5.889 -3.537 109 HG23 ILE 13 HG23 ILE 13 -0.741 -4.554 -4.095 110 HD11 ILE 13 HD11 ILE 13 1.811 -5.961 -4.797 111 HD12 ILE 13 HD12 ILE 13 3.177 -5.573 -3.753 112 HD13 ILE 13 HD13 ILE 13 3.219 -5.133 -5.460 113 H LEU 14 HN LEU 14 0.794 -2.715 -0.243 114 HA LEU 14 HA LEU 14 -1.784 -3.445 0.591 115 HB2 LEU 14 HB2 LEU 14 0.231 -3.697 1.982 116 HB3 LEU 14 HB1 LEU 14 0.360 -1.954 2.110 117 HG LEU 14 HG LEU 14 -1.839 -1.932 3.294 118 HD11 LEU 14 HD11 LEU 14 -1.475 -4.923 3.311 119 HD12 LEU 14 HD12 LEU 14 -2.707 -4.042 2.409 120 HD13 LEU 14 HD13 LEU 14 -2.719 -4.017 4.172 121 HD21 LEU 14 HD21 LEU 14 0.254 -1.857 4.531 122 HD22 LEU 14 HD22 LEU 14 0.335 -3.620 4.526 123 HD23 LEU 14 HD23 LEU 14 -0.954 -2.798 5.406 124 H ARG 15 HN ARG 15 -0.191 -0.320 0.265 125 HA ARG 15 HA ARG 15 -2.255 1.315 1.203 126 HB2 ARG 15 HB2 ARG 15 -0.003 2.160 0.854 127 HB3 ARG 15 HB1 ARG 15 -0.128 1.863 -0.872 128 HG2 ARG 15 HG2 ARG 15 -1.910 3.553 -1.015 129 HG3 ARG 15 HG1 ARG 15 -1.717 3.876 0.709 130 HD2 ARG 15 HD2 ARG 15 0.573 4.584 0.355 131 HD3 ARG 15 HD1 ARG 15 0.464 4.163 -1.353 132 HE ARG 15 HE ARG 15 -1.521 6.075 -0.563 133 HH11 ARG 15 HH11 ARG 15 1.835 5.720 -1.516 134 HH12 ARG 15 HH12 ARG 15 1.962 7.340 -2.122 135 HH21 ARG 15 HH21 ARG 15 -1.352 8.195 -1.366 136 HH22 ARG 15 HH22 ARG 15 0.151 8.746 -2.040 137 H HIS 16 HN HIS 16 -1.616 -0.019 -2.004 138 HA HIS 16 HA HIS 16 -3.733 1.386 -3.293 139 HB2 HIS 16 HB2 HIS 16 -2.251 -1.118 -4.107 140 HB3 HIS 16 HB1 HIS 16 -3.433 -0.305 -5.120 141 HD1 HIS 16 HD1 HIS 16 -0.626 -0.605 -6.179 142 HD2 HIS 16 HD2 HIS 16 -1.850 2.675 -3.945 143 HE1 HIS 16 HE1 HIS 16 0.974 1.239 -6.762 144 HE2 HIS 16 HE2 HIS 16 0.161 3.244 -5.469 145 H GLN 17 HN GLN 17 -3.508 -1.701 -1.637 146 HA GLN 17 HA GLN 17 -6.110 -2.590 -2.384 147 HB2 GLN 17 HB2 GLN 17 -4.336 -3.387 -0.068 148 HB3 GLN 17 HB1 GLN 17 -5.869 -4.163 -0.442 149 HG2 GLN 17 HG2 GLN 17 -3.380 -4.124 -2.134 150 HG3 GLN 17 HG1 GLN 17 -4.118 -5.508 -1.330 151 HE21 GLN 17 HE21 GLN 17 -3.486 -5.054 -4.160 152 HE22 GLN 17 HE22 GLN 17 -4.974 -5.255 -5.016 153 H ASN 18 HN ASN 18 -4.819 -0.640 0.226 154 HA ASN 18 HA ASN 18 -7.152 -0.460 1.792 155 HB2 ASN 18 HB2 ASN 18 -5.063 0.281 2.716 156 HB3 ASN 18 HB1 ASN 18 -4.829 1.434 1.409 157 HD21 ASN 18 HD21 ASN 18 -4.619 3.196 2.742 158 HD22 ASN 18 HD22 ASN 18 -5.941 3.852 3.638 159 H LEU 19 HN LEU 19 -6.000 1.404 -0.959 160 HA LEU 19 HA LEU 19 -8.158 3.285 -0.891 161 HB2 LEU 19 HB2 LEU 19 -6.182 2.682 -3.088 162 HB3 LEU 19 HB1 LEU 19 -7.234 4.080 -3.015 163 HG LEU 19 HG LEU 19 -5.024 3.468 -1.052 164 HD11 LEU 19 HD11 LEU 19 -5.167 5.499 -3.273 165 HD12 LEU 19 HD12 LEU 19 -4.162 4.050 -3.256 166 HD13 LEU 19 HD13 LEU 19 -3.865 5.344 -2.093 167 HD21 LEU 19 HD21 LEU 19 -6.802 4.706 0.007 168 HD22 LEU 19 HD22 LEU 19 -6.857 5.843 -1.338 169 HD23 LEU 19 HD23 LEU 19 -5.440 5.785 -0.293 170 H LEU 20 HN LEU 20 -7.787 0.132 -2.101 171 HA LEU 20 HA LEU 20 -9.979 0.425 -4.017 172 HB2 LEU 20 HB2 LEU 20 -7.912 -0.815 -4.659 173 HB3 LEU 20 HB1 LEU 20 -8.252 -1.977 -3.394 174 HG LEU 20 HG LEU 20 -10.370 -2.566 -4.564 175 HD11 LEU 20 HD11 LEU 20 -10.732 -0.497 -5.778 176 HD12 LEU 20 HD12 LEU 20 -10.653 -1.859 -6.895 177 HD13 LEU 20 HD13 LEU 20 -9.272 -0.775 -6.726 178 HD21 LEU 20 HD21 LEU 20 -7.847 -2.853 -6.189 179 HD22 LEU 20 HD22 LEU 20 -9.301 -3.837 -6.358 180 HD23 LEU 20 HD23 LEU 20 -8.360 -3.904 -4.868 181 H LYS 21 HN LYS 21 -9.651 -0.012 -0.819 182 HA LYS 21 HA LYS 21 -11.857 -1.951 -0.619 183 HB2 LYS 21 HB2 LYS 21 -9.651 -2.674 0.328 184 HB3 LYS 21 HB1 LYS 21 -9.752 -1.332 1.453 185 HG2 LYS 21 HG2 LYS 21 -11.743 -2.280 2.454 186 HG3 LYS 21 HG1 LYS 21 -11.714 -3.603 1.287 187 HD2 LYS 21 HD2 LYS 21 -10.762 -4.367 3.368 188 HD3 LYS 21 HD1 LYS 21 -9.493 -4.271 2.151 189 HE2 LYS 21 HE2 LYS 21 -8.700 -3.394 4.274 190 HE3 LYS 21 HE1 LYS 21 -8.780 -2.108 3.073 191 HZ1 LYS 21 HZ1 LYS 21 -10.833 -1.348 4.041 192 HZ2 LYS 21 HZ2 LYS 21 -9.652 -1.433 5.242 193 HZ3 LYS 21 HZ3 LYS 21 -10.842 -2.628 5.144 194 H GLU 22 HN GLU 22 -13.497 -1.533 0.892 195 HA GLU 22 HA GLU 22 -15.024 -0.259 1.989 196 HB2 GLU 22 HB2 GLU 22 -13.104 -0.186 3.623 197 HB3 GLU 22 HB1 GLU 22 -12.649 1.361 2.925 198 HG2 GLU 22 HG2 GLU 22 -14.913 2.212 3.544 199 HG3 GLU 22 HG1 GLU 22 -15.178 0.699 4.407 200 H LEU 23 HN LEU 23 -14.953 0.340 -0.583 201 HA LEU 23 HA LEU 23 -14.517 3.161 -1.017 202 HB2 LEU 23 HB2 LEU 23 -15.655 1.007 -2.802 203 HB3 LEU 23 HB1 LEU 23 -15.389 2.665 -3.303 204 HG LEU 23 HG LEU 23 -13.230 0.746 -2.417 205 HD11 LEU 23 HD11 LEU 23 -12.546 0.769 -4.759 206 HD12 LEU 23 HD12 LEU 23 -13.929 1.783 -5.160 207 HD13 LEU 23 HD13 LEU 23 -14.182 0.138 -4.582 208 HD21 LEU 23 HD21 LEU 23 -11.702 2.492 -3.250 209 HD22 LEU 23 HD22 LEU 23 -12.658 3.033 -1.870 210 HD23 LEU 23 HD23 LEU 23 -13.086 3.557 -3.498 211 H GLN 24 HN GLN 24 -16.137 3.231 0.938 212 HA GLN 24 HA GLN 24 -18.916 3.264 0.035 213 HB2 GLN 24 HB2 GLN 24 -17.740 3.816 2.770 214 HB3 GLN 24 HB1 GLN 24 -19.451 3.664 2.399 215 HG2 GLN 24 HG2 GLN 24 -17.398 1.476 2.115 216 HG3 GLN 24 HG1 GLN 24 -18.539 1.650 3.445 217 HE21 GLN 24 HE21 GLN 24 -20.711 1.209 3.098 218 HE22 GLN 24 HE22 GLN 24 -21.262 0.331 1.713 219 H ASP 25 HN ASP 25 -18.153 5.055 -1.465 220 HA ASP 25 HA ASP 25 -18.028 7.634 -0.057 221 HB2 ASP 25 HB2 ASP 25 -16.007 7.106 -1.371 222 HB3 ASP 25 HB1 ASP 25 -16.998 6.947 -2.819 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 25.106 2.131 -0.089 2 H2 PHE 1 HT2 PHE 1 24.147 2.180 1.305 3 H3 PHE 1 HT3 PHE 1 25.038 3.539 0.845 4 HA PHE 1 HA PHE 1 22.705 3.811 0.333 5 HB2 PHE 1 HB2 PHE 1 24.546 4.800 -1.100 6 HB3 PHE 1 HB1 PHE 1 24.300 3.459 -2.212 7 HD1 PHE 1 HD1 PHE 1 22.420 6.181 -0.512 8 HD2 PHE 1 HD2 PHE 1 22.792 3.700 -3.946 9 HE1 PHE 1 HE1 PHE 1 20.613 7.432 -1.604 10 HE2 PHE 1 HE2 PHE 1 20.982 4.951 -5.047 11 HZ PHE 1 HZ PHE 1 19.889 6.821 -3.877 12 H GLU 2 HN GLU 2 23.540 0.726 0.285 13 HA GLU 2 HA GLU 2 21.821 -0.226 -1.823 14 HB2 GLU 2 HB2 GLU 2 23.041 -1.744 0.494 15 HB3 GLU 2 HB1 GLU 2 22.283 -2.463 -0.920 16 HG2 GLU 2 HG2 GLU 2 24.837 -0.874 -0.829 17 HG3 GLU 2 HG1 GLU 2 24.653 -2.593 -1.168 18 H THR 3 HN THR 3 20.117 1.252 -0.938 19 HA THR 3 HA THR 3 18.814 0.674 1.502 20 HB THR 3 HB THR 3 16.938 2.043 0.466 21 HG1 THR 3 HG1 THR 3 17.985 1.456 -1.757 22 HG21 THR 3 HG21 THR 3 19.706 3.250 0.494 23 HG22 THR 3 HG22 THR 3 18.671 3.020 1.903 24 HG23 THR 3 HG23 THR 3 18.187 4.135 0.626 25 H LEU 4 HN LEU 4 17.710 -1.097 1.942 26 HA LEU 4 HA LEU 4 16.642 -2.758 -0.155 27 HB2 LEU 4 HB2 LEU 4 17.692 -3.724 1.864 28 HB3 LEU 4 HB1 LEU 4 16.418 -3.024 2.844 29 HG LEU 4 HG LEU 4 14.768 -4.435 1.634 30 HD11 LEU 4 HD11 LEU 4 15.956 -4.762 -0.445 31 HD12 LEU 4 HD12 LEU 4 15.604 -6.322 0.298 32 HD13 LEU 4 HD13 LEU 4 17.230 -5.647 0.393 33 HD21 LEU 4 HD21 LEU 4 17.031 -5.923 2.954 34 HD22 LEU 4 HD22 LEU 4 15.393 -6.533 2.720 35 HD23 LEU 4 HD23 LEU 4 15.676 -5.150 3.775 36 H ARG 5 HN ARG 5 14.995 -1.722 -1.137 37 HA ARG 5 HA ARG 5 12.783 -0.780 0.547 38 HB2 ARG 5 HB2 ARG 5 13.304 -0.150 -2.357 39 HB3 ARG 5 HB1 ARG 5 12.062 0.563 -1.341 40 HG2 ARG 5 HG2 ARG 5 14.009 1.370 0.126 41 HG3 ARG 5 HG1 ARG 5 15.024 0.993 -1.267 42 HD2 ARG 5 HD2 ARG 5 14.458 3.299 -1.413 43 HD3 ARG 5 HD1 ARG 5 13.516 2.453 -2.642 44 HE ARG 5 HE ARG 5 11.981 2.607 -0.304 45 HH11 ARG 5 HH11 ARG 5 13.272 4.748 -2.763 46 HH12 ARG 5 HH12 ARG 5 12.013 5.926 -2.572 47 HH21 ARG 5 HH21 ARG 5 10.339 4.154 -0.039 48 HH22 ARG 5 HH22 ARG 5 10.344 5.592 -1.022 49 H GLY 6 HN GLY 6 13.118 -3.498 0.180 50 HA2 GLY 6 HA2 GLY 6 11.445 -4.478 -1.932 51 HA3 GLY 6 HA1 GLY 6 12.036 -5.402 -0.558 52 H ASP 7 HN ASP 7 11.020 -4.061 1.563 53 HA ASP 7 HA ASP 7 8.326 -4.934 1.565 54 HB2 ASP 7 HB2 ASP 7 9.790 -3.234 3.589 55 HB3 ASP 7 HB1 ASP 7 8.204 -3.953 3.835 56 H GLU 8 HN GLU 8 9.843 -2.001 0.746 57 HA GLU 8 HA GLU 8 7.830 -0.119 1.132 58 HB2 GLU 8 HB2 GLU 8 10.205 0.278 0.371 59 HB3 GLU 8 HB1 GLU 8 9.702 -0.236 -1.231 60 HG2 GLU 8 HG2 GLU 8 9.651 2.094 -1.283 61 HG3 GLU 8 HG1 GLU 8 7.967 1.596 -1.121 62 H ARG 9 HN ARG 9 8.281 -2.541 -1.369 63 HA ARG 9 HA ARG 9 6.209 -1.632 -3.096 64 HB2 ARG 9 HB2 ARG 9 7.588 -4.295 -2.786 65 HB3 ARG 9 HB1 ARG 9 6.326 -4.021 -3.976 66 HG2 ARG 9 HG2 ARG 9 8.914 -2.491 -3.819 67 HG3 ARG 9 HG1 ARG 9 8.585 -3.832 -4.917 68 HD2 ARG 9 HD2 ARG 9 7.166 -1.173 -4.837 69 HD3 ARG 9 HD1 ARG 9 8.283 -1.734 -6.078 70 HE ARG 9 HE ARG 9 6.375 -3.623 -6.151 71 HH11 ARG 9 HH11 ARG 9 6.187 -0.132 -6.139 72 HH12 ARG 9 HH12 ARG 9 4.742 -0.071 -7.093 73 HH21 ARG 9 HH21 ARG 9 4.446 -3.557 -7.389 74 HH22 ARG 9 HH22 ARG 9 3.746 -2.021 -7.791 75 H ILE 10 HN ILE 10 6.358 -3.924 -0.440 76 HA ILE 10 HA ILE 10 3.674 -4.822 -0.674 77 HB ILE 10 HB ILE 10 5.478 -4.810 1.758 78 HG12 ILE 10 HG12 ILE 10 4.883 -7.018 -0.230 79 HG13 ILE 10 HG11 ILE 10 6.370 -6.080 -0.186 80 HG21 ILE 10 HG21 ILE 10 3.120 -5.037 2.361 81 HG22 ILE 10 HG22 ILE 10 3.993 -6.541 2.642 82 HG23 ILE 10 HG23 ILE 10 2.953 -6.377 1.228 83 HD11 ILE 10 HD11 ILE 10 6.831 -6.958 2.058 84 HD12 ILE 10 HD12 ILE 10 6.698 -8.232 0.846 85 HD13 ILE 10 HD13 ILE 10 5.364 -7.929 1.959 86 H LEU 11 HN LEU 11 5.258 -2.165 0.954 87 HA LEU 11 HA LEU 11 3.093 -1.252 2.504 88 HB2 LEU 11 HB2 LEU 11 5.529 -0.563 2.658 89 HB3 LEU 11 HB1 LEU 11 5.256 0.443 1.255 90 HG LEU 11 HG LEU 11 3.667 0.800 3.789 91 HD11 LEU 11 HD11 LEU 11 6.257 2.135 3.021 92 HD12 LEU 11 HD12 LEU 11 6.030 0.994 4.346 93 HD13 LEU 11 HD13 LEU 11 5.238 2.569 4.393 94 HD21 LEU 11 HD21 LEU 11 3.337 3.053 2.925 95 HD22 LEU 11 HD22 LEU 11 2.775 1.854 1.761 96 HD23 LEU 11 HD23 LEU 11 4.319 2.669 1.512 97 H SER 12 HN SER 12 4.156 -0.440 -0.794 98 HA SER 12 HA SER 12 2.112 1.518 -1.160 99 HB2 SER 12 HB2 SER 12 2.878 1.486 -3.538 100 HB3 SER 12 HB1 SER 12 4.169 1.764 -2.372 101 HG SER 12 HG SER 12 5.103 0.141 -3.301 102 H ILE 13 HN ILE 13 2.516 -1.858 -2.154 103 HA ILE 13 HA ILE 13 0.143 -1.972 -3.680 104 HB ILE 13 HB ILE 13 1.655 -4.186 -2.293 105 HG12 ILE 13 HG12 ILE 13 1.511 -3.342 -5.198 106 HG13 ILE 13 HG11 ILE 13 2.859 -3.027 -4.112 107 HG21 ILE 13 HG21 ILE 13 -0.646 -4.364 -4.239 108 HG22 ILE 13 HG22 ILE 13 -0.636 -4.899 -2.558 109 HG23 ILE 13 HG23 ILE 13 0.369 -5.721 -3.750 110 HD11 ILE 13 HD11 ILE 13 3.254 -5.425 -3.908 111 HD12 ILE 13 HD12 ILE 13 3.335 -4.889 -5.587 112 HD13 ILE 13 HD13 ILE 13 1.904 -5.738 -5.000 113 H LEU 14 HN LEU 14 0.809 -2.631 -0.259 114 HA LEU 14 HA LEU 14 -1.819 -3.391 0.420 115 HB2 LEU 14 HB2 LEU 14 0.164 -3.712 1.886 116 HB3 LEU 14 HB1 LEU 14 0.204 -1.981 2.164 117 HG LEU 14 HG LEU 14 -2.065 -2.136 3.172 118 HD11 LEU 14 HD11 LEU 14 -1.600 -5.096 2.863 119 HD12 LEU 14 HD12 LEU 14 -2.861 -4.138 2.086 120 HD13 LEU 14 HD13 LEU 14 -2.876 -4.365 3.834 121 HD21 LEU 14 HD21 LEU 14 -0.070 -2.123 4.573 122 HD22 LEU 14 HD22 LEU 14 0.045 -3.878 4.438 123 HD23 LEU 14 HD23 LEU 14 -1.327 -3.144 5.267 124 H ARG 15 HN ARG 15 -0.212 -0.249 0.232 125 HA ARG 15 HA ARG 15 -2.328 1.330 1.160 126 HB2 ARG 15 HB2 ARG 15 -0.120 2.273 0.844 127 HB3 ARG 15 HB1 ARG 15 -0.190 1.955 -0.883 128 HG2 ARG 15 HG2 ARG 15 -1.988 3.567 -1.130 129 HG3 ARG 15 HG1 ARG 15 -1.987 3.857 0.610 130 HD2 ARG 15 HD2 ARG 15 0.305 4.690 0.476 131 HD3 ARG 15 HD1 ARG 15 0.322 4.383 -1.260 132 HE ARG 15 HE ARG 15 -1.850 6.069 -0.631 133 HH11 ARG 15 HH11 ARG 15 1.651 6.138 -0.753 134 HH12 ARG 15 HH12 ARG 15 1.728 7.828 -1.130 135 HH21 ARG 15 HH21 ARG 15 -1.752 8.282 -1.113 136 HH22 ARG 15 HH22 ARG 15 -0.212 9.053 -1.335 137 H HIS 16 HN HIS 16 -1.661 -0.072 -1.985 138 HA HIS 16 HA HIS 16 -3.793 1.229 -3.347 139 HB2 HIS 16 HB2 HIS 16 -2.374 -1.360 -4.017 140 HB3 HIS 16 HB1 HIS 16 -3.488 -0.518 -5.085 141 HD1 HIS 16 HD1 HIS 16 -0.413 -1.102 -5.656 142 HD2 HIS 16 HD2 HIS 16 -2.046 2.507 -4.395 143 HE1 HIS 16 HE1 HIS 16 1.236 0.664 -6.348 144 HE2 HIS 16 HE2 HIS 16 0.134 2.847 -5.747 145 H GLN 17 HN GLN 17 -3.508 -1.805 -1.574 146 HA GLN 17 HA GLN 17 -6.088 -2.785 -2.234 147 HB2 GLN 17 HB2 GLN 17 -4.324 -3.391 0.148 148 HB3 GLN 17 HB1 GLN 17 -5.800 -4.262 -0.245 149 HG2 GLN 17 HG2 GLN 17 -3.262 -4.158 -1.859 150 HG3 GLN 17 HG1 GLN 17 -3.941 -5.542 -1.007 151 HE21 GLN 17 HE21 GLN 17 -3.250 -5.162 -3.834 152 HE22 GLN 17 HE22 GLN 17 -4.692 -5.516 -4.719 153 H ASN 18 HN ASN 18 -4.865 -0.608 0.193 154 HA ASN 18 HA ASN 18 -7.145 -0.420 1.816 155 HB2 ASN 18 HB2 ASN 18 -5.011 0.566 2.487 156 HB3 ASN 18 HB1 ASN 18 -5.083 1.691 1.135 157 HD21 ASN 18 HD21 ASN 18 -5.089 3.553 2.308 158 HD22 ASN 18 HD22 ASN 18 -6.376 4.007 3.365 159 H LEU 19 HN LEU 19 -6.201 1.296 -1.112 160 HA LEU 19 HA LEU 19 -8.536 2.934 -1.212 161 HB2 LEU 19 HB2 LEU 19 -6.552 2.234 -3.377 162 HB3 LEU 19 HB1 LEU 19 -7.753 3.508 -3.476 163 HG LEU 19 HG LEU 19 -5.431 3.428 -1.543 164 HD11 LEU 19 HD11 LEU 19 -5.925 5.149 -3.969 165 HD12 LEU 19 HD12 LEU 19 -4.740 3.849 -3.846 166 HD13 LEU 19 HD13 LEU 19 -4.568 5.296 -2.853 167 HD21 LEU 19 HD21 LEU 19 -7.560 5.515 -2.004 168 HD22 LEU 19 HD22 LEU 19 -6.115 5.743 -1.020 169 HD23 LEU 19 HD23 LEU 19 -7.324 4.552 -0.544 170 H LEU 20 HN LEU 20 -7.492 -0.035 -2.845 171 HA LEU 20 HA LEU 20 -9.716 -0.358 -4.518 172 HB2 LEU 20 HB2 LEU 20 -7.878 -2.399 -3.271 173 HB3 LEU 20 HB1 LEU 20 -9.086 -2.794 -4.476 174 HG LEU 20 HG LEU 20 -6.799 -0.877 -4.927 175 HD11 LEU 20 HD11 LEU 20 -7.120 -3.747 -5.791 176 HD12 LEU 20 HD12 LEU 20 -5.978 -3.147 -4.589 177 HD13 LEU 20 HD13 LEU 20 -5.818 -2.662 -6.277 178 HD21 LEU 20 HD21 LEU 20 -8.743 -0.431 -6.326 179 HD22 LEU 20 HD22 LEU 20 -8.782 -2.120 -6.828 180 HD23 LEU 20 HD23 LEU 20 -7.420 -1.096 -7.281 181 H LYS 21 HN LYS 21 -9.274 -0.979 -1.142 182 HA LYS 21 HA LYS 21 -11.595 -2.605 -0.802 183 HB2 LYS 21 HB2 LYS 21 -9.640 -2.572 0.755 184 HB3 LYS 21 HB1 LYS 21 -10.123 -0.959 1.260 185 HG2 LYS 21 HG2 LYS 21 -12.297 -1.911 2.006 186 HG3 LYS 21 HG1 LYS 21 -11.663 -3.515 1.636 187 HD2 LYS 21 HD2 LYS 21 -10.493 -1.558 3.613 188 HD3 LYS 21 HD1 LYS 21 -11.427 -3.000 4.011 189 HE2 LYS 21 HE2 LYS 21 -8.754 -2.940 2.606 190 HE3 LYS 21 HE1 LYS 21 -9.038 -3.410 4.282 191 HZ1 LYS 21 HZ1 LYS 21 -10.091 -4.805 1.883 192 HZ2 LYS 21 HZ2 LYS 21 -10.404 -5.246 3.483 193 HZ3 LYS 21 HZ3 LYS 21 -8.830 -5.343 2.873 194 H GLU 22 HN GLU 22 -10.887 0.795 0.096 195 HA GLU 22 HA GLU 22 -13.795 1.237 0.166 196 HB2 GLU 22 HB2 GLU 22 -11.726 2.330 2.072 197 HB3 GLU 22 HB1 GLU 22 -13.426 2.776 2.065 198 HG2 GLU 22 HG2 GLU 22 -14.060 0.513 2.619 199 HG3 GLU 22 HG1 GLU 22 -12.377 -0.002 2.531 200 H LEU 23 HN LEU 23 -13.115 1.921 -2.137 201 HA LEU 23 HA LEU 23 -12.994 4.842 -1.983 202 HB2 LEU 23 HB2 LEU 23 -10.777 3.861 -2.761 203 HB3 LEU 23 HB1 LEU 23 -11.628 3.303 -4.188 204 HG LEU 23 HG LEU 23 -12.203 5.662 -4.723 205 HD11 LEU 23 HD11 LEU 23 -10.371 6.265 -2.406 206 HD12 LEU 23 HD12 LEU 23 -12.097 6.616 -2.500 207 HD13 LEU 23 HD13 LEU 23 -10.970 7.447 -3.570 208 HD21 LEU 23 HD21 LEU 23 -9.264 5.067 -4.406 209 HD22 LEU 23 HD22 LEU 23 -9.959 6.294 -5.465 210 HD23 LEU 23 HD23 LEU 23 -10.284 4.587 -5.762 211 H GLN 24 HN GLN 24 -15.269 3.444 -1.991 212 HA GLN 24 HA GLN 24 -16.263 3.663 -4.754 213 HB2 GLN 24 HB2 GLN 24 -17.212 1.848 -2.532 214 HB3 GLN 24 HB1 GLN 24 -18.007 2.014 -4.088 215 HG2 GLN 24 HG2 GLN 24 -15.187 1.035 -3.695 216 HG3 GLN 24 HG1 GLN 24 -16.597 -0.001 -3.909 217 HE21 GLN 24 HE21 GLN 24 -14.383 2.180 -5.444 218 HE22 GLN 24 HE22 GLN 24 -14.853 1.834 -7.070 219 H ASP 25 HN ASP 25 -18.317 4.610 -5.040 220 HA ASP 25 HA ASP 25 -19.214 6.237 -2.758 221 HB2 ASP 25 HB2 ASP 25 -19.581 6.740 -5.725 222 HB3 ASP 25 HB1 ASP 25 -20.228 7.752 -4.439 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 16.797 12.233 -1.135 2 H2 PHE 1 HT2 PHE 1 15.796 11.987 -2.471 3 H3 PHE 1 HT3 PHE 1 17.371 12.549 -2.694 4 HA PHE 1 HA PHE 1 17.218 10.225 -3.269 5 HB2 PHE 1 HB2 PHE 1 19.254 11.263 -2.068 6 HB3 PHE 1 HB1 PHE 1 18.669 10.439 -0.629 7 HD1 PHE 1 HD1 PHE 1 18.445 7.917 -0.701 8 HD2 PHE 1 HD2 PHE 1 20.534 10.144 -3.661 9 HE1 PHE 1 HE1 PHE 1 19.635 5.879 -1.388 10 HE2 PHE 1 HE2 PHE 1 21.726 8.110 -4.356 11 HZ PHE 1 HZ PHE 1 21.278 5.972 -3.221 12 H GLU 2 HN GLU 2 15.772 8.633 -3.075 13 HA GLU 2 HA GLU 2 14.677 8.106 -0.402 14 HB2 GLU 2 HB2 GLU 2 12.712 7.128 -1.536 15 HB3 GLU 2 HB1 GLU 2 12.948 8.813 -1.964 16 HG2 GLU 2 HG2 GLU 2 13.791 6.491 -3.680 17 HG3 GLU 2 HG1 GLU 2 12.271 7.362 -3.849 18 H THR 3 HN THR 3 15.167 6.258 0.548 19 HA THR 3 HA THR 3 16.732 4.295 -0.867 20 HB THR 3 HB THR 3 16.600 3.131 1.438 21 HG1 THR 3 HG1 THR 3 14.963 4.207 2.439 22 HG21 THR 3 HG21 THR 3 17.914 5.837 1.194 23 HG22 THR 3 HG22 THR 3 18.577 4.314 0.602 24 HG23 THR 3 HG23 THR 3 18.357 4.567 2.333 25 H LEU 4 HN LEU 4 16.141 2.209 -1.348 26 HA LEU 4 HA LEU 4 13.347 1.454 -0.882 27 HB2 LEU 4 HB2 LEU 4 13.514 2.454 -3.110 28 HB3 LEU 4 HB1 LEU 4 14.808 1.347 -3.519 29 HG LEU 4 HG LEU 4 13.203 -0.541 -3.273 30 HD11 LEU 4 HD11 LEU 4 11.616 0.526 -1.771 31 HD12 LEU 4 HD12 LEU 4 10.812 -0.046 -3.232 32 HD13 LEU 4 HD13 LEU 4 11.171 1.670 -3.035 33 HD21 LEU 4 HD21 LEU 4 13.708 0.370 -5.463 34 HD22 LEU 4 HD22 LEU 4 12.460 1.598 -5.262 35 HD23 LEU 4 HD23 LEU 4 12.012 -0.104 -5.372 36 H ARG 5 HN ARG 5 13.708 -0.215 0.469 37 HA ARG 5 HA ARG 5 15.796 -2.154 -0.007 38 HB2 ARG 5 HB2 ARG 5 13.501 -2.436 1.921 39 HB3 ARG 5 HB1 ARG 5 15.060 -3.235 1.981 40 HG2 ARG 5 HG2 ARG 5 16.144 -1.136 2.511 41 HG3 ARG 5 HG1 ARG 5 14.598 -0.291 2.382 42 HD2 ARG 5 HD2 ARG 5 13.729 -1.814 4.175 43 HD3 ARG 5 HD1 ARG 5 15.376 -2.401 4.384 44 HE ARG 5 HE ARG 5 15.990 -0.119 5.032 45 HH11 ARG 5 HH11 ARG 5 12.578 -0.943 5.053 46 HH12 ARG 5 HH12 ARG 5 12.174 0.244 6.250 47 HH21 ARG 5 HH21 ARG 5 15.452 1.439 6.608 48 HH22 ARG 5 HH22 ARG 5 13.805 1.596 7.134 49 H GLY 6 HN GLY 6 12.368 -1.854 -0.578 50 HA2 GLY 6 HA2 GLY 6 11.570 -3.344 -2.459 51 HA3 GLY 6 HA1 GLY 6 12.267 -4.652 -1.512 52 H ASP 7 HN ASP 7 11.498 -3.616 1.024 53 HA ASP 7 HA ASP 7 8.967 -4.787 1.279 54 HB2 ASP 7 HB2 ASP 7 9.022 -3.702 3.605 55 HB3 ASP 7 HB1 ASP 7 10.275 -4.871 3.211 56 H GLU 8 HN GLU 8 9.913 -1.515 0.667 57 HA GLU 8 HA GLU 8 7.581 -0.163 1.389 58 HB2 GLU 8 HB2 GLU 8 9.680 0.951 0.734 59 HB3 GLU 8 HB1 GLU 8 9.427 0.439 -0.927 60 HG2 GLU 8 HG2 GLU 8 7.300 1.735 -0.916 61 HG3 GLU 8 HG1 GLU 8 7.753 2.354 0.672 62 H ARG 9 HN ARG 9 8.328 -2.136 -1.398 63 HA ARG 9 HA ARG 9 6.136 -1.356 -3.008 64 HB2 ARG 9 HB2 ARG 9 7.879 -3.804 -2.947 65 HB3 ARG 9 HB1 ARG 9 6.514 -3.686 -4.048 66 HG2 ARG 9 HG2 ARG 9 8.775 -1.702 -3.934 67 HG3 ARG 9 HG1 ARG 9 8.683 -3.057 -5.062 68 HD2 ARG 9 HD2 ARG 9 6.713 -0.781 -4.836 69 HD3 ARG 9 HD1 ARG 9 7.902 -1.004 -6.117 70 HE ARG 9 HE ARG 9 6.550 -3.266 -6.340 71 HH11 ARG 9 HH11 ARG 9 5.345 -0.011 -5.876 72 HH12 ARG 9 HH12 ARG 9 3.865 -0.301 -6.728 73 HH21 ARG 9 HH21 ARG 9 4.615 -3.657 -7.460 74 HH22 ARG 9 HH22 ARG 9 3.446 -2.388 -7.634 75 H ILE 10 HN ILE 10 6.538 -3.781 -0.510 76 HA ILE 10 HA ILE 10 3.987 -4.984 -0.809 77 HB ILE 10 HB ILE 10 5.733 -4.791 1.659 78 HG12 ILE 10 HG12 ILE 10 5.420 -7.070 -0.308 79 HG13 ILE 10 HG11 ILE 10 6.773 -5.947 -0.304 80 HG21 ILE 10 HG21 ILE 10 3.402 -6.619 1.085 81 HG22 ILE 10 HG22 ILE 10 3.418 -5.284 2.237 82 HG23 ILE 10 HG23 ILE 10 4.446 -6.692 2.505 83 HD11 ILE 10 HD11 ILE 10 7.384 -6.708 1.939 84 HD12 ILE 10 HD12 ILE 10 7.366 -8.030 0.773 85 HD13 ILE 10 HD13 ILE 10 6.034 -7.841 1.914 86 H LEU 11 HN LEU 11 5.211 -2.220 0.944 87 HA LEU 11 HA LEU 11 2.861 -1.659 2.435 88 HB2 LEU 11 HB2 LEU 11 5.245 -0.855 2.864 89 HB3 LEU 11 HB1 LEU 11 4.982 0.317 1.593 90 HG LEU 11 HG LEU 11 3.224 0.193 4.040 91 HD11 LEU 11 HD11 LEU 11 5.736 1.803 3.610 92 HD12 LEU 11 HD12 LEU 11 5.511 0.510 4.787 93 HD13 LEU 11 HD13 LEU 11 4.601 2.013 4.945 94 HD21 LEU 11 HD21 LEU 11 3.812 2.386 2.050 95 HD22 LEU 11 HD22 LEU 11 2.751 2.520 3.453 96 HD23 LEU 11 HD23 LEU 11 2.331 1.432 2.132 97 H SER 12 HN SER 12 4.144 -0.426 -0.657 98 HA SER 12 HA SER 12 2.040 1.440 -1.027 99 HB2 SER 12 HB2 SER 12 2.902 1.545 -3.383 100 HB3 SER 12 HB1 SER 12 4.115 1.841 -2.139 101 HG SER 12 HG SER 12 5.012 0.419 -3.560 102 H ILE 13 HN ILE 13 2.509 -1.906 -1.987 103 HA ILE 13 HA ILE 13 0.178 -2.059 -3.596 104 HB ILE 13 HB ILE 13 1.706 -4.219 -2.142 105 HG12 ILE 13 HG12 ILE 13 1.526 -3.487 -5.075 106 HG13 ILE 13 HG11 ILE 13 2.875 -3.098 -4.014 107 HG21 ILE 13 HG21 ILE 13 -0.560 -4.542 -4.109 108 HG22 ILE 13 HG22 ILE 13 -0.620 -4.916 -2.388 109 HG23 ILE 13 HG23 ILE 13 0.431 -5.845 -3.456 110 HD11 ILE 13 HD11 ILE 13 3.398 -5.002 -5.405 111 HD12 ILE 13 HD12 ILE 13 1.978 -5.859 -4.805 112 HD13 ILE 13 HD13 ILE 13 3.310 -5.486 -3.711 113 H LEU 14 HN LEU 14 0.809 -2.568 -0.161 114 HA LEU 14 HA LEU 14 -1.808 -3.279 0.585 115 HB2 LEU 14 HB2 LEU 14 0.108 -3.499 2.097 116 HB3 LEU 14 HB1 LEU 14 0.279 -1.756 2.147 117 HG LEU 14 HG LEU 14 -1.981 -1.615 3.193 118 HD11 LEU 14 HD11 LEU 14 -2.937 -3.654 4.155 119 HD12 LEU 14 HD12 LEU 14 -1.712 -4.614 3.325 120 HD13 LEU 14 HD13 LEU 14 -2.903 -3.707 2.394 121 HD21 LEU 14 HD21 LEU 14 0.049 -3.298 4.658 122 HD22 LEU 14 HD22 LEU 14 -1.254 -2.372 5.399 123 HD23 LEU 14 HD23 LEU 14 0.046 -1.538 4.549 124 H ARG 15 HN ARG 15 -0.223 -0.157 0.146 125 HA ARG 15 HA ARG 15 -2.371 1.465 0.940 126 HB2 ARG 15 HB2 ARG 15 -0.061 2.293 0.582 127 HB3 ARG 15 HB1 ARG 15 -0.269 2.067 -1.150 128 HG2 ARG 15 HG2 ARG 15 -2.070 3.704 -1.159 129 HG3 ARG 15 HG1 ARG 15 -1.885 3.923 0.582 130 HD2 ARG 15 HD2 ARG 15 0.475 4.630 0.157 131 HD3 ARG 15 HD1 ARG 15 0.116 4.582 -1.569 132 HE ARG 15 HE ARG 15 -1.718 6.206 -0.056 133 HH11 ARG 15 HH11 ARG 15 1.363 6.159 -1.720 134 HH12 ARG 15 HH12 ARG 15 1.382 7.870 -2.000 135 HH21 ARG 15 HH21 ARG 15 -1.690 8.463 -0.417 136 HH22 ARG 15 HH22 ARG 15 -0.349 9.178 -1.254 137 H HIS 16 HN HIS 16 -1.642 -0.181 -2.057 138 HA HIS 16 HA HIS 16 -3.691 1.009 -3.615 139 HB2 HIS 16 HB2 HIS 16 -2.281 -1.645 -3.855 140 HB3 HIS 16 HB1 HIS 16 -3.516 -1.124 -4.990 141 HD1 HIS 16 HD1 HIS 16 -1.053 -1.598 -6.379 142 HD2 HIS 16 HD2 HIS 16 -1.646 1.992 -4.366 143 HE1 HIS 16 HE1 HIS 16 0.533 0.039 -7.435 144 HE2 HIS 16 HE2 HIS 16 -0.002 2.245 -6.348 145 H GLN 17 HN GLN 17 -3.638 -1.617 -1.306 146 HA GLN 17 HA GLN 17 -6.231 -2.611 -1.934 147 HB2 GLN 17 HB2 GLN 17 -4.675 -2.838 0.649 148 HB3 GLN 17 HB1 GLN 17 -6.126 -3.745 0.256 149 HG2 GLN 17 HG2 GLN 17 -3.383 -4.003 -0.930 150 HG3 GLN 17 HG1 GLN 17 -4.357 -5.225 -0.121 151 HE21 GLN 17 HE21 GLN 17 -3.642 -3.651 -3.086 152 HE22 GLN 17 HE22 GLN 17 -4.678 -4.603 -4.092 153 H ASN 18 HN ASN 18 -4.997 -0.037 0.056 154 HA ASN 18 HA ASN 18 -7.370 0.571 1.460 155 HB2 ASN 18 HB2 ASN 18 -5.294 1.555 2.192 156 HB3 ASN 18 HB1 ASN 18 -5.043 2.313 0.625 157 HD21 ASN 18 HD21 ASN 18 -4.952 4.402 1.336 158 HD22 ASN 18 HD22 ASN 18 -6.296 5.225 2.038 159 H LEU 19 HN LEU 19 -6.075 1.689 -1.623 160 HA LEU 19 HA LEU 19 -8.262 3.441 -2.177 161 HB2 LEU 19 HB2 LEU 19 -6.200 2.291 -4.059 162 HB3 LEU 19 HB1 LEU 19 -7.238 3.667 -4.382 163 HG LEU 19 HG LEU 19 -5.107 3.573 -2.241 164 HD11 LEU 19 HD11 LEU 19 -4.148 3.572 -4.487 165 HD12 LEU 19 HD12 LEU 19 -3.873 5.109 -3.669 166 HD13 LEU 19 HD13 LEU 19 -5.122 4.980 -4.905 167 HD21 LEU 19 HD21 LEU 19 -6.942 5.048 -1.647 168 HD22 LEU 19 HD22 LEU 19 -6.843 5.834 -3.221 169 HD23 LEU 19 HD23 LEU 19 -5.512 5.986 -2.076 170 H LEU 20 HN LEU 20 -7.456 0.128 -2.912 171 HA LEU 20 HA LEU 20 -9.564 -0.324 -4.768 172 HB2 LEU 20 HB2 LEU 20 -7.504 -1.699 -4.614 173 HB3 LEU 20 HB1 LEU 20 -8.048 -2.298 -3.061 174 HG LEU 20 HG LEU 20 -9.994 -3.344 -4.159 175 HD11 LEU 20 HD11 LEU 20 -8.678 -2.384 -6.694 176 HD12 LEU 20 HD12 LEU 20 -10.240 -1.866 -6.059 177 HD13 LEU 20 HD13 LEU 20 -10.018 -3.526 -6.611 178 HD21 LEU 20 HD21 LEU 20 -7.936 -4.615 -3.780 179 HD22 LEU 20 HD22 LEU 20 -7.338 -4.112 -5.362 180 HD23 LEU 20 HD23 LEU 20 -8.765 -5.142 -5.244 181 H LYS 21 HN LYS 21 -9.465 0.049 -1.399 182 HA LYS 21 HA LYS 21 -11.931 -1.445 -0.969 183 HB2 LYS 21 HB2 LYS 21 -9.991 -1.515 0.669 184 HB3 LYS 21 HB1 LYS 21 -10.374 0.151 1.064 185 HG2 LYS 21 HG2 LYS 21 -12.520 -0.461 1.906 186 HG3 LYS 21 HG1 LYS 21 -12.334 -2.114 1.325 187 HD2 LYS 21 HD2 LYS 21 -10.390 -0.947 3.285 188 HD3 LYS 21 HD1 LYS 21 -11.930 -1.605 3.832 189 HE2 LYS 21 HE2 LYS 21 -10.285 -3.328 4.031 190 HE3 LYS 21 HE1 LYS 21 -11.342 -3.745 2.687 191 HZ1 LYS 21 HZ1 LYS 21 -8.961 -4.107 2.233 192 HZ2 LYS 21 HZ2 LYS 21 -8.691 -2.446 2.378 193 HZ3 LYS 21 HZ3 LYS 21 -9.682 -3.037 1.144 194 H GLU 22 HN GLU 22 -12.824 0.165 -2.578 195 HA GLU 22 HA GLU 22 -13.588 2.706 -1.361 196 HB2 GLU 22 HB2 GLU 22 -12.809 2.664 -3.719 197 HB3 GLU 22 HB1 GLU 22 -14.155 1.611 -4.128 198 HG2 GLU 22 HG2 GLU 22 -14.597 3.906 -4.781 199 HG3 GLU 22 HG1 GLU 22 -15.729 3.367 -3.542 200 H LEU 23 HN LEU 23 -15.747 3.251 -0.963 201 HA LEU 23 HA LEU 23 -17.909 2.953 -0.356 202 HB2 LEU 23 HB2 LEU 23 -18.193 2.168 -2.690 203 HB3 LEU 23 HB1 LEU 23 -17.847 0.534 -2.163 204 HG LEU 23 HG LEU 23 -19.869 0.573 -0.750 205 HD11 LEU 23 HD11 LEU 23 -20.016 2.943 -0.303 206 HD12 LEU 23 HD12 LEU 23 -21.504 2.381 -1.063 207 HD13 LEU 23 HD13 LEU 23 -20.313 3.272 -2.010 208 HD21 LEU 23 HD21 LEU 23 -21.495 0.484 -2.579 209 HD22 LEU 23 HD22 LEU 23 -19.991 -0.331 -3.003 210 HD23 LEU 23 HD23 LEU 23 -20.333 1.275 -3.644 211 H GLN 24 HN GLN 24 -17.429 2.590 1.740 212 HA GLN 24 HA GLN 24 -17.592 1.561 3.738 213 HB2 GLN 24 HB2 GLN 24 -18.421 -0.849 2.129 214 HB3 GLN 24 HB1 GLN 24 -18.373 -0.815 3.886 215 HG2 GLN 24 HG2 GLN 24 -19.967 1.125 3.776 216 HG3 GLN 24 HG1 GLN 24 -20.137 0.780 2.054 217 HE21 GLN 24 HE21 GLN 24 -21.138 -1.138 1.408 218 HE22 GLN 24 HE22 GLN 24 -22.138 -2.049 2.485 219 H ASP 25 HN ASP 25 -16.479 0.048 5.134 220 HA ASP 25 HA ASP 25 -13.833 -0.592 4.041 221 HB2 ASP 25 HB2 ASP 25 -13.950 0.974 5.983 222 HB3 ASP 25 HB1 ASP 25 -14.682 -0.312 6.937 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 17.463 10.563 -3.508 2 H2 PHE 1 HT2 PHE 1 15.878 10.152 -3.923 3 H3 PHE 1 HT3 PHE 1 17.173 9.459 -4.757 4 HA PHE 1 HA PHE 1 17.885 8.290 -2.810 5 HB2 PHE 1 HB2 PHE 1 17.117 10.013 -1.196 6 HB3 PHE 1 HB1 PHE 1 15.454 9.539 -1.510 7 HD1 PHE 1 HD1 PHE 1 14.462 7.809 -0.308 8 HD2 PHE 1 HD2 PHE 1 18.688 8.280 -0.214 9 HE1 PHE 1 HE1 PHE 1 14.609 6.103 1.454 10 HE2 PHE 1 HE2 PHE 1 18.842 6.578 1.551 11 HZ PHE 1 HZ PHE 1 16.795 5.541 2.442 12 H GLU 2 HN GLU 2 17.449 6.260 -3.357 13 HA GLU 2 HA GLU 2 14.690 5.358 -3.411 14 HB2 GLU 2 HB2 GLU 2 15.097 4.110 -5.567 15 HB3 GLU 2 HB1 GLU 2 14.958 5.854 -5.731 16 HG2 GLU 2 HG2 GLU 2 17.347 6.068 -5.929 17 HG3 GLU 2 HG1 GLU 2 17.556 4.343 -5.637 18 H THR 3 HN THR 3 14.683 3.773 -1.981 19 HA THR 3 HA THR 3 16.956 1.905 -1.959 20 HB THR 3 HB THR 3 16.287 1.573 0.500 21 HG1 THR 3 HG1 THR 3 14.311 2.826 0.271 22 HG21 THR 3 HG21 THR 3 18.358 2.672 -0.203 23 HG22 THR 3 HG22 THR 3 17.676 3.445 1.227 24 HG23 THR 3 HG23 THR 3 17.497 4.203 -0.355 25 H LEU 4 HN LEU 4 16.264 0.092 -2.915 26 HA LEU 4 HA LEU 4 13.529 -0.807 -2.546 27 HB2 LEU 4 HB2 LEU 4 14.500 -0.922 -4.781 28 HB3 LEU 4 HB1 LEU 4 15.786 -1.955 -4.186 29 HG LEU 4 HG LEU 4 14.174 -3.728 -3.713 30 HD11 LEU 4 HD11 LEU 4 12.225 -2.436 -3.160 31 HD12 LEU 4 HD12 LEU 4 11.843 -3.497 -4.517 32 HD13 LEU 4 HD13 LEU 4 12.146 -1.782 -4.794 33 HD21 LEU 4 HD21 LEU 4 13.569 -4.273 -6.020 34 HD22 LEU 4 HD22 LEU 4 15.217 -3.655 -5.912 35 HD23 LEU 4 HD23 LEU 4 13.923 -2.614 -6.504 36 H ARG 5 HN ARG 5 13.533 -1.328 -0.391 37 HA ARG 5 HA ARG 5 15.314 -3.460 0.525 38 HB2 ARG 5 HB2 ARG 5 13.264 -1.883 2.087 39 HB3 ARG 5 HB1 ARG 5 14.476 -2.965 2.753 40 HG2 ARG 5 HG2 ARG 5 16.245 -1.497 2.073 41 HG3 ARG 5 HG1 ARG 5 15.106 -0.458 1.216 42 HD2 ARG 5 HD2 ARG 5 14.008 0.077 3.337 43 HD3 ARG 5 HD1 ARG 5 15.148 -0.962 4.191 44 HE ARG 5 HE ARG 5 16.891 0.632 3.198 45 HH11 ARG 5 HH11 ARG 5 13.656 1.608 4.141 46 HH12 ARG 5 HH12 ARG 5 14.128 3.236 4.509 47 HH21 ARG 5 HH21 ARG 5 17.494 2.777 3.670 48 HH22 ARG 5 HH22 ARG 5 16.298 3.900 4.236 49 H GLY 6 HN GLY 6 12.248 -3.007 -0.771 50 HA2 GLY 6 HA2 GLY 6 11.009 -4.941 -1.504 51 HA3 GLY 6 HA1 GLY 6 11.515 -5.763 -0.039 52 H ASP 7 HN ASP 7 10.953 -3.609 1.752 53 HA ASP 7 HA ASP 7 8.284 -4.353 2.294 54 HB2 ASP 7 HB2 ASP 7 8.426 -2.885 4.236 55 HB3 ASP 7 HB1 ASP 7 9.861 -3.891 4.096 56 H GLU 8 HN GLU 8 9.672 -1.457 0.832 57 HA GLU 8 HA GLU 8 7.363 0.140 1.076 58 HB2 GLU 8 HB2 GLU 8 9.490 1.166 0.538 59 HB3 GLU 8 HB1 GLU 8 9.570 0.277 -0.974 60 HG2 GLU 8 HG2 GLU 8 7.723 1.484 -1.868 61 HG3 GLU 8 HG1 GLU 8 7.412 2.255 -0.317 62 H ARG 9 HN ARG 9 8.331 -2.282 -1.253 63 HA ARG 9 HA ARG 9 6.326 -1.751 -3.175 64 HB2 ARG 9 HB2 ARG 9 7.934 -4.203 -2.510 65 HB3 ARG 9 HB1 ARG 9 6.688 -4.236 -3.748 66 HG2 ARG 9 HG2 ARG 9 8.975 -2.285 -3.772 67 HG3 ARG 9 HG1 ARG 9 9.027 -3.857 -4.571 68 HD2 ARG 9 HD2 ARG 9 7.001 -1.687 -5.114 69 HD3 ARG 9 HD1 ARG 9 8.408 -2.040 -6.115 70 HE ARG 9 HE ARG 9 6.812 -4.362 -5.760 71 HH11 ARG 9 HH11 ARG 9 6.935 -1.333 -7.508 72 HH12 ARG 9 HH12 ARG 9 5.999 -1.922 -8.844 73 HH21 ARG 9 HH21 ARG 9 5.570 -5.138 -7.508 74 HH22 ARG 9 HH22 ARG 9 5.229 -4.091 -8.848 75 H ILE 10 HN ILE 10 6.438 -3.875 -0.357 76 HA ILE 10 HA ILE 10 3.791 -4.860 -0.655 77 HB ILE 10 HB ILE 10 5.498 -4.643 1.834 78 HG12 ILE 10 HG12 ILE 10 4.957 -6.982 -0.013 79 HG13 ILE 10 HG11 ILE 10 6.463 -6.078 0.077 80 HG21 ILE 10 HG21 ILE 10 3.976 -6.315 2.801 81 HG22 ILE 10 HG22 ILE 10 2.948 -6.186 1.373 82 HG23 ILE 10 HG23 ILE 10 3.156 -4.797 2.438 83 HD11 ILE 10 HD11 ILE 10 6.614 -8.196 1.257 84 HD12 ILE 10 HD12 ILE 10 5.267 -7.722 2.294 85 HD13 ILE 10 HD13 ILE 10 6.791 -6.836 2.365 86 H LEU 11 HN LEU 11 5.221 -2.168 1.124 87 HA LEU 11 HA LEU 11 2.965 -1.285 2.503 88 HB2 LEU 11 HB2 LEU 11 5.337 -0.536 2.833 89 HB3 LEU 11 HB1 LEU 11 5.188 0.421 1.377 90 HG LEU 11 HG LEU 11 3.322 0.882 3.682 91 HD11 LEU 11 HD11 LEU 11 6.081 2.046 3.334 92 HD12 LEU 11 HD12 LEU 11 5.555 0.969 4.628 93 HD13 LEU 11 HD13 LEU 11 4.877 2.592 4.502 94 HD21 LEU 11 HD21 LEU 11 4.411 2.662 1.501 95 HD22 LEU 11 HD22 LEU 11 3.286 3.156 2.766 96 HD23 LEU 11 HD23 LEU 11 2.791 1.966 1.562 97 H SER 12 HN SER 12 4.148 -0.379 -0.726 98 HA SER 12 HA SER 12 2.086 1.527 -1.164 99 HB2 SER 12 HB2 SER 12 2.920 1.416 -3.555 100 HB3 SER 12 HB1 SER 12 4.118 1.856 -2.340 101 HG SER 12 HG SER 12 5.062 -0.082 -2.524 102 H ILE 13 HN ILE 13 2.519 -1.860 -2.091 103 HA ILE 13 HA ILE 13 0.179 -1.966 -3.695 104 HB ILE 13 HB ILE 13 1.773 -4.146 -2.355 105 HG12 ILE 13 HG12 ILE 13 1.515 -3.249 -5.237 106 HG13 ILE 13 HG11 ILE 13 2.887 -2.933 -4.183 107 HG21 ILE 13 HG21 ILE 13 -0.536 -4.432 -4.278 108 HG22 ILE 13 HG22 ILE 13 -0.533 -4.900 -2.578 109 HG23 ILE 13 HG23 ILE 13 0.510 -5.740 -3.724 110 HD11 ILE 13 HD11 ILE 13 3.333 -5.330 -4.055 111 HD12 ILE 13 HD12 ILE 13 3.368 -4.739 -5.716 112 HD13 ILE 13 HD13 ILE 13 1.966 -5.633 -5.128 113 H LEU 14 HN LEU 14 0.819 -2.723 -0.285 114 HA LEU 14 HA LEU 14 -1.825 -3.460 0.361 115 HB2 LEU 14 HB2 LEU 14 0.104 -3.849 1.850 116 HB3 LEU 14 HB1 LEU 14 0.247 -2.120 2.108 117 HG LEU 14 HG LEU 14 -1.998 -2.119 3.158 118 HD11 LEU 14 HD11 LEU 14 -2.956 -4.050 2.059 119 HD12 LEU 14 HD12 LEU 14 -2.994 -4.267 3.808 120 HD13 LEU 14 HD13 LEU 14 -1.783 -5.107 2.842 121 HD21 LEU 14 HD21 LEU 14 -0.007 -4.029 4.374 122 HD22 LEU 14 HD22 LEU 14 -1.313 -3.215 5.235 123 HD23 LEU 14 HD23 LEU 14 0.001 -2.273 4.535 124 H ARG 15 HN ARG 15 -0.177 -0.352 0.165 125 HA ARG 15 HA ARG 15 -2.236 1.285 1.102 126 HB2 ARG 15 HB2 ARG 15 0.043 2.098 0.686 127 HB3 ARG 15 HB1 ARG 15 -0.189 1.873 -1.041 128 HG2 ARG 15 HG2 ARG 15 -1.928 3.574 -1.046 129 HG3 ARG 15 HG1 ARG 15 -1.737 3.784 0.696 130 HD2 ARG 15 HD2 ARG 15 0.608 4.448 0.329 131 HD3 ARG 15 HD1 ARG 15 0.358 4.302 -1.409 132 HE ARG 15 HE ARG 15 -1.583 6.053 -0.465 133 HH11 ARG 15 HH11 ARG 15 1.905 5.896 -0.672 134 HH12 ARG 15 HH12 ARG 15 2.109 7.617 -0.736 135 HH21 ARG 15 HH21 ARG 15 -1.331 8.318 -0.566 136 HH22 ARG 15 HH22 ARG 15 0.262 9.001 -0.675 137 H HIS 16 HN HIS 16 -1.676 -0.177 -2.035 138 HA HIS 16 HA HIS 16 -3.736 1.182 -3.429 139 HB2 HIS 16 HB2 HIS 16 -2.487 -1.524 -3.953 140 HB3 HIS 16 HB1 HIS 16 -3.607 -0.725 -5.047 141 HD1 HIS 16 HD1 HIS 16 -0.999 -1.360 -6.247 142 HD2 HIS 16 HD2 HIS 16 -1.608 2.144 -4.090 143 HE1 HIS 16 HE1 HIS 16 0.789 0.230 -7.020 144 HE2 HIS 16 HE2 HIS 16 0.306 2.390 -5.818 145 H GLN 17 HN GLN 17 -3.670 -1.680 -1.420 146 HA GLN 17 HA GLN 17 -6.358 -2.467 -2.017 147 HB2 GLN 17 HB2 GLN 17 -4.443 -3.248 0.181 148 HB3 GLN 17 HB1 GLN 17 -6.070 -3.901 0.060 149 HG2 GLN 17 HG2 GLN 17 -3.907 -4.160 -2.023 150 HG3 GLN 17 HG1 GLN 17 -4.436 -5.419 -0.907 151 HE21 GLN 17 HE21 GLN 17 -4.443 -5.328 -3.840 152 HE22 GLN 17 HE22 GLN 17 -6.083 -5.613 -4.315 153 H ASN 18 HN ASN 18 -4.788 -0.493 0.429 154 HA ASN 18 HA ASN 18 -7.063 -0.049 2.043 155 HB2 ASN 18 HB2 ASN 18 -4.789 0.517 2.803 156 HB3 ASN 18 HB1 ASN 18 -4.685 1.765 1.566 157 HD21 ASN 18 HD21 ASN 18 -4.441 3.486 2.947 158 HD22 ASN 18 HD22 ASN 18 -5.684 4.014 4.022 159 H LEU 19 HN LEU 19 -5.845 1.512 -0.852 160 HA LEU 19 HA LEU 19 -7.905 3.532 -0.841 161 HB2 LEU 19 HB2 LEU 19 -5.957 2.733 -3.003 162 HB3 LEU 19 HB1 LEU 19 -6.972 4.161 -3.024 163 HG LEU 19 HG LEU 19 -4.733 3.606 -1.077 164 HD11 LEU 19 HD11 LEU 19 -3.648 5.507 -2.177 165 HD12 LEU 19 HD12 LEU 19 -4.976 5.587 -3.335 166 HD13 LEU 19 HD13 LEU 19 -3.925 4.170 -3.293 167 HD21 LEU 19 HD21 LEU 19 -6.513 4.838 0.010 168 HD22 LEU 19 HD22 LEU 19 -6.571 5.984 -1.329 169 HD23 LEU 19 HD23 LEU 19 -5.142 5.902 -0.298 170 H LEU 20 HN LEU 20 -7.959 0.336 -1.409 171 HA LEU 20 HA LEU 20 -10.149 0.553 -3.361 172 HB2 LEU 20 HB2 LEU 20 -8.038 -0.680 -4.093 173 HB3 LEU 20 HB1 LEU 20 -8.440 -1.888 -2.891 174 HG LEU 20 HG LEU 20 -10.609 -2.257 -4.074 175 HD11 LEU 20 HD11 LEU 20 -9.357 -0.472 -6.155 176 HD12 LEU 20 HD12 LEU 20 -10.805 -0.124 -5.209 177 HD13 LEU 20 HD13 LEU 20 -10.813 -1.443 -6.379 178 HD21 LEU 20 HD21 LEU 20 -9.636 -3.548 -5.892 179 HD22 LEU 20 HD22 LEU 20 -8.686 -3.720 -4.416 180 HD23 LEU 20 HD23 LEU 20 -8.116 -2.672 -5.716 181 H LYS 21 HN LYS 21 -10.206 0.837 -0.461 182 HA LYS 21 HA LYS 21 -11.331 -1.593 0.596 183 HB2 LYS 21 HB2 LYS 21 -11.716 -0.267 2.637 184 HB3 LYS 21 HB1 LYS 21 -10.062 -0.138 2.069 185 HG2 LYS 21 HG2 LYS 21 -10.587 2.049 1.079 186 HG3 LYS 21 HG1 LYS 21 -12.231 1.920 1.707 187 HD2 LYS 21 HD2 LYS 21 -11.350 1.812 3.988 188 HD3 LYS 21 HD1 LYS 21 -9.705 1.937 3.362 189 HE2 LYS 21 HE2 LYS 21 -10.450 4.099 4.159 190 HE3 LYS 21 HE1 LYS 21 -10.258 4.139 2.408 191 HZ1 LYS 21 HZ1 LYS 21 -12.288 5.234 3.094 192 HZ2 LYS 21 HZ2 LYS 21 -12.830 3.829 3.857 193 HZ3 LYS 21 HZ3 LYS 21 -12.647 3.861 2.177 194 H GLU 22 HN GLU 22 -12.762 -1.184 -1.541 195 HA GLU 22 HA GLU 22 -14.981 0.518 -1.410 196 HB2 GLU 22 HB2 GLU 22 -14.237 -0.607 -3.463 197 HB3 GLU 22 HB1 GLU 22 -14.701 -2.159 -2.783 198 HG2 GLU 22 HG2 GLU 22 -17.043 -1.308 -2.652 199 HG3 GLU 22 HG1 GLU 22 -16.509 0.113 -3.550 200 H LEU 23 HN LEU 23 -16.459 0.522 0.164 201 HA LEU 23 HA LEU 23 -17.320 -2.064 1.268 202 HB2 LEU 23 HB2 LEU 23 -16.279 -0.508 2.886 203 HB3 LEU 23 HB1 LEU 23 -17.510 0.680 2.511 204 HG LEU 23 HG LEU 23 -19.237 -0.858 3.380 205 HD11 LEU 23 HD11 LEU 23 -18.106 -2.970 2.976 206 HD12 LEU 23 HD12 LEU 23 -18.549 -2.817 4.674 207 HD13 LEU 23 HD13 LEU 23 -16.877 -2.560 4.173 208 HD21 LEU 23 HD21 LEU 23 -18.287 0.850 4.825 209 HD22 LEU 23 HD22 LEU 23 -16.985 -0.244 5.288 210 HD23 LEU 23 HD23 LEU 23 -18.649 -0.610 5.746 211 H GLN 24 HN GLN 24 -18.962 -2.596 -0.084 212 HA GLN 24 HA GLN 24 -20.967 -0.675 -0.867 213 HB2 GLN 24 HB2 GLN 24 -20.802 -3.671 -1.247 214 HB3 GLN 24 HB1 GLN 24 -22.067 -2.655 -1.920 215 HG2 GLN 24 HG2 GLN 24 -20.346 -1.416 -3.191 216 HG3 GLN 24 HG1 GLN 24 -19.130 -2.533 -2.572 217 HE21 GLN 24 HE21 GLN 24 -18.592 -3.264 -4.634 218 HE22 GLN 24 HE22 GLN 24 -19.653 -4.295 -5.540 219 H ASP 25 HN ASP 25 -21.288 -0.221 1.527 220 HA ASP 25 HA ASP 25 -22.900 -2.200 2.931 221 HB2 ASP 25 HB2 ASP 25 -21.154 -1.092 4.214 222 HB3 ASP 25 HB1 ASP 25 -21.817 0.487 3.808 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 22.098 3.943 4.439 2 H2 PHE 1 HT2 PHE 1 21.529 3.191 5.839 3 H3 PHE 1 HT3 PHE 1 21.828 4.852 5.837 4 HA PHE 1 HA PHE 1 19.470 4.362 5.723 5 HB2 PHE 1 HB2 PHE 1 20.453 6.407 4.644 6 HB3 PHE 1 HB1 PHE 1 20.505 5.522 3.125 7 HD1 PHE 1 HD1 PHE 1 18.197 6.751 5.750 8 HD2 PHE 1 HD2 PHE 1 18.643 5.422 1.733 9 HE1 PHE 1 HE1 PHE 1 15.885 7.436 5.270 10 HE2 PHE 1 HE2 PHE 1 16.331 6.103 1.247 11 HZ PHE 1 HZ PHE 1 14.944 7.111 3.032 12 H GLU 2 HN GLU 2 20.907 3.611 2.532 13 HA GLU 2 HA GLU 2 20.532 1.968 1.028 14 HB2 GLU 2 HB2 GLU 2 20.937 0.367 2.796 15 HB3 GLU 2 HB1 GLU 2 19.298 0.555 3.399 16 HG2 GLU 2 HG2 GLU 2 19.559 -1.526 2.189 17 HG3 GLU 2 HG1 GLU 2 18.420 -0.461 1.372 18 H THR 3 HN THR 3 19.175 2.346 -0.572 19 HA THR 3 HA THR 3 16.478 3.212 -0.073 20 HB THR 3 HB THR 3 16.419 3.092 -2.672 21 HG1 THR 3 HG1 THR 3 18.404 1.808 -2.725 22 HG21 THR 3 HG21 THR 3 17.543 5.259 -2.826 23 HG22 THR 3 HG22 THR 3 18.270 4.999 -1.241 24 HG23 THR 3 HG23 THR 3 16.522 5.171 -1.393 25 H LEU 4 HN LEU 4 16.124 1.048 1.059 26 HA LEU 4 HA LEU 4 15.797 -1.272 -0.603 27 HB2 LEU 4 HB2 LEU 4 16.448 -1.426 1.774 28 HB3 LEU 4 HB1 LEU 4 14.884 -0.779 2.231 29 HG LEU 4 HG LEU 4 13.820 -2.778 1.165 30 HD11 LEU 4 HD11 LEU 4 16.667 -3.752 1.010 31 HD12 LEU 4 HD12 LEU 4 15.630 -3.362 -0.361 32 HD13 LEU 4 HD13 LEU 4 15.226 -4.715 0.692 33 HD21 LEU 4 HD21 LEU 4 14.169 -2.678 3.570 34 HD22 LEU 4 HD22 LEU 4 15.796 -3.325 3.372 35 HD23 LEU 4 HD23 LEU 4 14.397 -4.322 2.972 36 H ARG 5 HN ARG 5 14.199 -1.349 -2.025 37 HA ARG 5 HA ARG 5 11.645 -0.092 -1.338 38 HB2 ARG 5 HB2 ARG 5 12.648 -1.023 -4.026 39 HB3 ARG 5 HB1 ARG 5 11.130 -0.190 -3.731 40 HG2 ARG 5 HG2 ARG 5 12.505 1.715 -2.804 41 HG3 ARG 5 HG1 ARG 5 13.918 0.892 -3.469 42 HD2 ARG 5 HD2 ARG 5 13.171 2.534 -5.052 43 HD3 ARG 5 HD1 ARG 5 12.820 0.929 -5.695 44 HE ARG 5 HE ARG 5 10.633 2.147 -4.237 45 HH11 ARG 5 HH11 ARG 5 12.158 1.731 -7.373 46 HH12 ARG 5 HH12 ARG 5 10.719 2.122 -8.258 47 HH21 ARG 5 HH21 ARG 5 8.753 2.662 -5.402 48 HH22 ARG 5 HH22 ARG 5 8.780 2.657 -7.139 49 H GLY 6 HN GLY 6 13.010 -3.065 -1.191 50 HA2 GLY 6 HA2 GLY 6 11.109 -4.821 -2.250 51 HA3 GLY 6 HA1 GLY 6 12.139 -5.176 -0.871 52 H ASP 7 HN ASP 7 11.323 -3.612 1.093 53 HA ASP 7 HA ASP 7 8.777 -4.670 1.810 54 HB2 ASP 7 HB2 ASP 7 9.071 -3.477 3.905 55 HB3 ASP 7 HB1 ASP 7 10.581 -4.264 3.460 56 H GLU 8 HN GLU 8 9.921 -1.737 0.426 57 HA GLU 8 HA GLU 8 7.761 -0.036 1.006 58 HB2 GLU 8 HB2 GLU 8 9.963 0.717 0.164 59 HB3 GLU 8 HB1 GLU 8 9.598 -0.011 -1.392 60 HG2 GLU 8 HG2 GLU 8 7.645 1.513 -1.567 61 HG3 GLU 8 HG1 GLU 8 8.197 2.306 -0.093 62 H ARG 9 HN ARG 9 8.350 -2.375 -1.557 63 HA ARG 9 HA ARG 9 6.152 -1.770 -3.198 64 HB2 ARG 9 HB2 ARG 9 7.655 -4.337 -2.713 65 HB3 ARG 9 HB1 ARG 9 6.343 -4.224 -3.877 66 HG2 ARG 9 HG2 ARG 9 8.819 -2.515 -3.956 67 HG3 ARG 9 HG1 ARG 9 8.615 -4.017 -4.861 68 HD2 ARG 9 HD2 ARG 9 6.874 -1.563 -5.096 69 HD3 ARG 9 HD1 ARG 9 8.128 -2.046 -6.236 70 HE ARG 9 HE ARG 9 6.661 -4.185 -6.390 71 HH11 ARG 9 HH11 ARG 9 5.529 -0.889 -6.083 72 HH12 ARG 9 HH12 ARG 9 4.025 -1.198 -6.887 73 HH21 ARG 9 HH21 ARG 9 4.679 -4.584 -7.475 74 HH22 ARG 9 HH22 ARG 9 3.542 -3.290 -7.671 75 H ILE 10 HN ILE 10 6.468 -3.830 -0.372 76 HA ILE 10 HA ILE 10 3.853 -4.906 -0.427 77 HB ILE 10 HB ILE 10 5.671 -4.437 1.950 78 HG12 ILE 10 HG12 ILE 10 5.198 -6.944 0.321 79 HG13 ILE 10 HG11 ILE 10 6.619 -5.916 0.188 80 HG21 ILE 10 HG21 ILE 10 3.365 -4.709 2.664 81 HG22 ILE 10 HG22 ILE 10 4.308 -6.139 3.086 82 HG23 ILE 10 HG23 ILE 10 3.221 -6.179 1.698 83 HD11 ILE 10 HD11 ILE 10 7.183 -6.419 2.516 84 HD12 ILE 10 HD12 ILE 10 7.092 -7.873 1.523 85 HD13 ILE 10 HD13 ILE 10 5.771 -7.470 2.619 86 H LEU 11 HN LEU 11 5.270 -2.044 1.040 87 HA LEU 11 HA LEU 11 3.033 -1.182 2.500 88 HB2 LEU 11 HB2 LEU 11 5.431 -0.409 2.710 89 HB3 LEU 11 HB1 LEU 11 5.178 0.551 1.271 90 HG LEU 11 HG LEU 11 3.486 0.937 3.734 91 HD11 LEU 11 HD11 LEU 11 5.821 1.188 4.389 92 HD12 LEU 11 HD12 LEU 11 5.003 2.748 4.358 93 HD13 LEU 11 HD13 LEU 11 6.088 2.297 3.044 94 HD21 LEU 11 HD21 LEU 11 3.183 3.180 2.794 95 HD22 LEU 11 HD22 LEU 11 2.648 1.934 1.667 96 HD23 LEU 11 HD23 LEU 11 4.195 2.742 1.417 97 H SER 12 HN SER 12 4.133 -0.419 -0.796 98 HA SER 12 HA SER 12 2.076 1.504 -1.225 99 HB2 SER 12 HB2 SER 12 2.885 1.443 -3.592 100 HB3 SER 12 HB1 SER 12 4.147 1.759 -2.404 101 HG SER 12 HG SER 12 3.678 -0.535 -3.952 102 H ILE 13 HN ILE 13 2.493 -1.898 -2.137 103 HA ILE 13 HA ILE 13 0.141 -2.030 -3.714 104 HB ILE 13 HB ILE 13 1.632 -4.231 -2.276 105 HG12 ILE 13 HG12 ILE 13 1.551 -3.496 -5.209 106 HG13 ILE 13 HG11 ILE 13 2.840 -3.026 -4.106 107 HG21 ILE 13 HG21 ILE 13 0.382 -5.784 -3.724 108 HG22 ILE 13 HG22 ILE 13 -0.594 -4.433 -4.304 109 HG23 ILE 13 HG23 ILE 13 -0.671 -4.913 -2.608 110 HD11 ILE 13 HD11 ILE 13 2.081 -5.851 -4.809 111 HD12 ILE 13 HD12 ILE 13 3.397 -5.361 -3.742 112 HD13 ILE 13 HD13 ILE 13 3.455 -4.956 -5.457 113 H LEU 14 HN LEU 14 0.806 -2.763 -0.308 114 HA LEU 14 HA LEU 14 -1.814 -3.506 0.387 115 HB2 LEU 14 HB2 LEU 14 0.129 -3.902 1.836 116 HB3 LEU 14 HB1 LEU 14 0.294 -2.175 2.090 117 HG LEU 14 HG LEU 14 -1.966 -2.176 3.159 118 HD11 LEU 14 HD11 LEU 14 -2.906 -4.308 3.885 119 HD12 LEU 14 HD12 LEU 14 -1.660 -5.171 2.983 120 HD13 LEU 14 HD13 LEU 14 -2.853 -4.195 2.125 121 HD21 LEU 14 HD21 LEU 14 -1.200 -3.184 5.258 122 HD22 LEU 14 HD22 LEU 14 0.058 -2.207 4.502 123 HD23 LEU 14 HD23 LEU 14 0.124 -3.966 4.395 124 H ARG 15 HN ARG 15 -0.226 -0.368 0.144 125 HA ARG 15 HA ARG 15 -2.336 1.152 1.225 126 HB2 ARG 15 HB2 ARG 15 -0.084 2.087 0.904 127 HB3 ARG 15 HB1 ARG 15 -0.296 1.992 -0.840 128 HG2 ARG 15 HG2 ARG 15 -2.204 3.539 -0.667 129 HG3 ARG 15 HG1 ARG 15 -1.904 3.678 1.065 130 HD2 ARG 15 HD2 ARG 15 0.319 4.579 0.612 131 HD3 ARG 15 HD1 ARG 15 0.029 4.424 -1.119 132 HE ARG 15 HE ARG 15 -1.784 6.095 0.475 133 HH11 ARG 15 HH11 ARG 15 0.713 5.826 -1.973 134 HH12 ARG 15 HH12 ARG 15 0.495 7.447 -2.552 135 HH21 ARG 15 HH21 ARG 15 -2.057 8.232 -0.280 136 HH22 ARG 15 HH22 ARG 15 -1.067 8.819 -1.579 137 H HIS 16 HN HIS 16 -1.635 -0.006 -2.021 138 HA HIS 16 HA HIS 16 -3.752 1.343 -3.322 139 HB2 HIS 16 HB2 HIS 16 -2.286 -1.204 -4.011 140 HB3 HIS 16 HB1 HIS 16 -3.547 -0.532 -5.032 141 HD1 HIS 16 HD1 HIS 16 -1.177 -0.650 -6.582 142 HD2 HIS 16 HD2 HIS 16 -1.637 2.425 -3.821 143 HE1 HIS 16 HE1 HIS 16 0.384 1.170 -7.334 144 HE2 HIS 16 HE2 HIS 16 0.218 2.942 -5.551 145 H GLN 17 HN GLN 17 -3.567 -1.691 -1.577 146 HA GLN 17 HA GLN 17 -6.211 -2.521 -2.259 147 HB2 GLN 17 HB2 GLN 17 -4.412 -3.411 0.004 148 HB3 GLN 17 HB1 GLN 17 -5.918 -4.193 -0.455 149 HG2 GLN 17 HG2 GLN 17 -3.381 -4.012 -2.061 150 HG3 GLN 17 HG1 GLN 17 -4.154 -5.457 -1.408 151 HE21 GLN 17 HE21 GLN 17 -3.416 -4.666 -4.174 152 HE22 GLN 17 HE22 GLN 17 -4.873 -4.823 -5.093 153 H ASN 18 HN ASN 18 -4.805 -0.532 0.243 154 HA ASN 18 HA ASN 18 -7.131 -0.357 1.860 155 HB2 ASN 18 HB2 ASN 18 -4.997 0.343 2.781 156 HB3 ASN 18 HB1 ASN 18 -4.824 1.571 1.531 157 HD21 ASN 18 HD21 ASN 18 -4.656 3.257 3.004 158 HD22 ASN 18 HD22 ASN 18 -6.007 3.813 3.920 159 H LEU 19 HN LEU 19 -5.891 1.556 -0.838 160 HA LEU 19 HA LEU 19 -7.953 3.497 -0.779 161 HB2 LEU 19 HB2 LEU 19 -6.186 2.655 -3.076 162 HB3 LEU 19 HB1 LEU 19 -7.162 4.109 -3.028 163 HG LEU 19 HG LEU 19 -4.808 3.495 -1.237 164 HD11 LEU 19 HD11 LEU 19 -4.142 4.027 -3.511 165 HD12 LEU 19 HD12 LEU 19 -3.734 5.350 -2.420 166 HD13 LEU 19 HD13 LEU 19 -5.137 5.482 -3.479 167 HD21 LEU 19 HD21 LEU 19 -6.456 4.792 -0.028 168 HD22 LEU 19 HD22 LEU 19 -6.586 5.928 -1.370 169 HD23 LEU 19 HD23 LEU 19 -5.084 5.815 -0.454 170 H LEU 20 HN LEU 20 -7.628 0.375 -2.346 171 HA LEU 20 HA LEU 20 -10.133 0.748 -3.788 172 HB2 LEU 20 HB2 LEU 20 -7.955 -1.295 -3.860 173 HB3 LEU 20 HB1 LEU 20 -9.547 -1.735 -4.445 174 HG LEU 20 HG LEU 20 -8.122 -1.076 -6.288 175 HD11 LEU 20 HD11 LEU 20 -10.216 1.017 -5.728 176 HD12 LEU 20 HD12 LEU 20 -10.503 -0.569 -6.441 177 HD13 LEU 20 HD13 LEU 20 -9.533 0.621 -7.303 178 HD21 LEU 20 HD21 LEU 20 -7.293 1.218 -6.505 179 HD22 LEU 20 HD22 LEU 20 -6.579 0.383 -5.126 180 HD23 LEU 20 HD23 LEU 20 -7.859 1.569 -4.874 181 H LYS 21 HN LYS 21 -9.588 0.168 -0.721 182 HA LYS 21 HA LYS 21 -10.952 -2.259 -0.196 183 HB2 LYS 21 HB2 LYS 21 -9.463 -1.207 1.437 184 HB3 LYS 21 HB1 LYS 21 -10.561 0.158 1.573 185 HG2 LYS 21 HG2 LYS 21 -12.278 -1.307 2.490 186 HG3 LYS 21 HG1 LYS 21 -11.185 -2.687 2.344 187 HD2 LYS 21 HD2 LYS 21 -9.598 -1.536 3.854 188 HD3 LYS 21 HD1 LYS 21 -10.767 -0.232 4.051 189 HE2 LYS 21 HE2 LYS 21 -10.849 -1.809 5.922 190 HE3 LYS 21 HE1 LYS 21 -12.365 -1.790 5.028 191 HZ1 LYS 21 HZ1 LYS 21 -11.749 -3.821 3.937 192 HZ2 LYS 21 HZ2 LYS 21 -11.611 -4.038 5.606 193 HZ3 LYS 21 HZ3 LYS 21 -10.225 -3.813 4.668 194 H GLU 22 HN GLU 22 -12.030 1.137 -0.009 195 HA GLU 22 HA GLU 22 -14.775 0.268 0.314 196 HB2 GLU 22 HB2 GLU 22 -13.623 3.048 0.082 197 HB3 GLU 22 HB1 GLU 22 -15.293 2.669 0.469 198 HG2 GLU 22 HG2 GLU 22 -14.498 1.494 2.501 199 HG3 GLU 22 HG1 GLU 22 -12.865 2.042 2.131 200 H LEU 23 HN LEU 23 -14.381 -0.837 -1.867 201 HA LEU 23 HA LEU 23 -15.084 0.998 -4.057 202 HB2 LEU 23 HB2 LEU 23 -13.061 -0.411 -4.376 203 HB3 LEU 23 HB1 LEU 23 -14.056 -1.842 -4.192 204 HG LEU 23 HG LEU 23 -15.322 -1.168 -6.231 205 HD11 LEU 23 HD11 LEU 23 -13.176 0.937 -6.450 206 HD12 LEU 23 HD12 LEU 23 -14.892 1.226 -6.163 207 HD13 LEU 23 HD13 LEU 23 -14.359 0.537 -7.695 208 HD21 LEU 23 HD21 LEU 23 -13.542 -1.770 -7.812 209 HD22 LEU 23 HD22 LEU 23 -13.532 -2.795 -6.377 210 HD23 LEU 23 HD23 LEU 23 -12.343 -1.504 -6.547 211 H GLN 24 HN GLN 24 -17.220 0.982 -2.913 212 HA GLN 24 HA GLN 24 -18.763 -1.458 -3.437 213 HB2 GLN 24 HB2 GLN 24 -19.264 0.855 -1.567 214 HB3 GLN 24 HB1 GLN 24 -20.443 -0.412 -1.873 215 HG2 GLN 24 HG2 GLN 24 -17.684 -0.825 -0.740 216 HG3 GLN 24 HG1 GLN 24 -19.184 -0.802 0.187 217 HE21 GLN 24 HE21 GLN 24 -20.711 -2.223 -1.839 218 HE22 GLN 24 HE22 GLN 24 -20.184 -3.871 -1.778 219 H ASP 25 HN ASP 25 -20.401 -1.473 -4.849 220 HA ASP 25 HA ASP 25 -20.557 0.587 -6.777 221 HB2 ASP 25 HB2 ASP 25 -20.999 -1.717 -7.402 222 HB3 ASP 25 HB1 ASP 25 -22.377 -1.778 -6.305 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 25.083 1.498 0.255 2 H2 PHE 1 HT2 PHE 1 25.160 2.242 -1.258 3 H3 PHE 1 HT3 PHE 1 24.451 0.719 -1.105 4 HA PHE 1 HA PHE 1 23.456 3.233 0.085 5 HB2 PHE 1 HB2 PHE 1 21.521 2.889 -1.486 6 HB3 PHE 1 HB1 PHE 1 23.038 3.300 -2.271 7 HD1 PHE 1 HD1 PHE 1 20.468 0.772 -1.832 8 HD2 PHE 1 HD2 PHE 1 24.244 1.633 -3.587 9 HE1 PHE 1 HE1 PHE 1 20.227 -1.182 -3.301 10 HE2 PHE 1 HE2 PHE 1 24.012 -0.321 -5.058 11 HZ PHE 1 HZ PHE 1 22.000 -1.733 -4.917 12 H GLU 2 HN GLU 2 22.883 -0.245 -0.420 13 HA GLU 2 HA GLU 2 21.678 -1.772 0.748 14 HB2 GLU 2 HB2 GLU 2 22.548 -0.004 3.038 15 HB3 GLU 2 HB1 GLU 2 21.925 -1.637 3.213 16 HG2 GLU 2 HG2 GLU 2 24.457 -0.839 1.794 17 HG3 GLU 2 HG1 GLU 2 24.337 -1.616 3.371 18 H THR 3 HN THR 3 19.838 -0.489 -0.421 19 HA THR 3 HA THR 3 17.893 0.304 1.635 20 HB THR 3 HB THR 3 16.761 1.569 -0.262 21 HG1 THR 3 HG1 THR 3 17.896 0.720 -2.016 22 HG21 THR 3 HG21 THR 3 18.197 3.531 0.010 23 HG22 THR 3 HG22 THR 3 19.476 2.507 0.662 24 HG23 THR 3 HG23 THR 3 17.961 2.694 1.544 25 H LEU 4 HN LEU 4 16.978 -1.701 1.931 26 HA LEU 4 HA LEU 4 16.163 -3.319 -0.305 27 HB2 LEU 4 HB2 LEU 4 16.896 -4.336 1.811 28 HB3 LEU 4 HB1 LEU 4 15.545 -3.589 2.639 29 HG LEU 4 HG LEU 4 14.007 -4.920 1.175 30 HD11 LEU 4 HD11 LEU 4 14.928 -6.860 0.008 31 HD12 LEU 4 HD12 LEU 4 16.560 -6.325 0.406 32 HD13 LEU 4 HD13 LEU 4 15.549 -5.352 -0.661 33 HD21 LEU 4 HD21 LEU 4 15.938 -6.490 2.875 34 HD22 LEU 4 HD22 LEU 4 14.315 -7.000 2.408 35 HD23 LEU 4 HD23 LEU 4 14.532 -5.600 3.460 36 H ARG 5 HN ARG 5 14.710 -2.144 -1.483 37 HA ARG 5 HA ARG 5 12.390 -1.001 -0.151 38 HB2 ARG 5 HB2 ARG 5 13.161 -0.944 -3.067 39 HB3 ARG 5 HB1 ARG 5 11.858 -0.028 -2.327 40 HG2 ARG 5 HG2 ARG 5 13.472 1.194 -0.967 41 HG3 ARG 5 HG1 ARG 5 14.788 0.266 -1.691 42 HD2 ARG 5 HD2 ARG 5 14.618 2.429 -2.759 43 HD3 ARG 5 HD1 ARG 5 14.173 1.160 -3.899 44 HE ARG 5 HE ARG 5 11.869 2.172 -2.586 45 HH11 ARG 5 HH11 ARG 5 14.202 2.999 -5.063 46 HH12 ARG 5 HH12 ARG 5 13.109 4.026 -5.926 47 HH21 ARG 5 HH21 ARG 5 10.433 3.503 -3.706 48 HH22 ARG 5 HH22 ARG 5 10.946 4.304 -5.165 49 H GLY 6 HN GLY 6 13.074 -3.984 -0.892 50 HA2 GLY 6 HA2 GLY 6 10.987 -4.938 -2.513 51 HA3 GLY 6 HA1 GLY 6 11.825 -5.874 -1.286 52 H ASP 7 HN ASP 7 11.146 -4.547 1.019 53 HA ASP 7 HA ASP 7 8.446 -5.388 1.376 54 HB2 ASP 7 HB2 ASP 7 8.714 -4.560 3.699 55 HB3 ASP 7 HB1 ASP 7 9.982 -5.673 3.206 56 H GLU 8 HN GLU 8 9.961 -2.420 0.582 57 HA GLU 8 HA GLU 8 7.926 -0.620 1.326 58 HB2 GLU 8 HB2 GLU 8 10.146 0.153 0.699 59 HB3 GLU 8 HB1 GLU 8 9.940 -0.485 -0.925 60 HG2 GLU 8 HG2 GLU 8 8.092 1.111 -1.271 61 HG3 GLU 8 HG1 GLU 8 8.414 1.784 0.323 62 H ARG 9 HN ARG 9 8.380 -2.740 -1.413 63 HA ARG 9 HA ARG 9 6.381 -1.709 -3.110 64 HB2 ARG 9 HB2 ARG 9 7.386 -4.546 -2.804 65 HB3 ARG 9 HB1 ARG 9 6.361 -3.989 -4.118 66 HG2 ARG 9 HG2 ARG 9 9.144 -3.002 -3.523 67 HG3 ARG 9 HG1 ARG 9 8.699 -4.146 -4.788 68 HD2 ARG 9 HD2 ARG 9 7.792 -1.279 -4.574 69 HD3 ARG 9 HD1 ARG 9 8.981 -1.914 -5.707 70 HE ARG 9 HE ARG 9 6.663 -3.373 -6.107 71 HH11 ARG 9 HH11 ARG 9 7.712 -0.043 -6.369 72 HH12 ARG 9 HH12 ARG 9 6.553 0.360 -7.597 73 HH21 ARG 9 HH21 ARG 9 5.141 -2.849 -7.732 74 HH22 ARG 9 HH22 ARG 9 5.094 -1.237 -8.371 75 H ILE 10 HN ILE 10 6.313 -4.059 -0.510 76 HA ILE 10 HA ILE 10 3.600 -4.810 -0.749 77 HB ILE 10 HB ILE 10 5.352 -4.795 1.721 78 HG12 ILE 10 HG12 ILE 10 4.707 -7.064 -0.173 79 HG13 ILE 10 HG11 ILE 10 6.216 -6.159 -0.186 80 HG21 ILE 10 HG21 ILE 10 2.767 -6.253 1.176 81 HG22 ILE 10 HG22 ILE 10 2.992 -4.915 2.302 82 HG23 ILE 10 HG23 ILE 10 3.781 -6.464 2.603 83 HD11 ILE 10 HD11 ILE 10 6.495 -8.262 0.962 84 HD12 ILE 10 HD12 ILE 10 5.175 -7.865 2.061 85 HD13 ILE 10 HD13 ILE 10 6.667 -6.928 2.102 86 H LEU 11 HN LEU 11 5.265 -2.222 0.901 87 HA LEU 11 HA LEU 11 3.177 -1.268 2.505 88 HB2 LEU 11 HB2 LEU 11 5.588 -0.672 2.687 89 HB3 LEU 11 HB1 LEU 11 5.439 0.283 1.230 90 HG LEU 11 HG LEU 11 3.798 0.900 3.681 91 HD11 LEU 11 HD11 LEU 11 6.548 1.934 2.991 92 HD12 LEU 11 HD12 LEU 11 6.151 0.873 4.342 93 HD13 LEU 11 HD13 LEU 11 5.522 2.520 4.299 94 HD21 LEU 11 HD21 LEU 11 3.098 1.964 1.601 95 HD22 LEU 11 HD22 LEU 11 4.736 2.563 1.342 96 HD23 LEU 11 HD23 LEU 11 3.788 3.152 2.707 97 H SER 12 HN SER 12 4.184 -0.345 -0.793 98 HA SER 12 HA SER 12 2.085 1.583 -1.035 99 HB2 SER 12 HB2 SER 12 2.836 1.729 -3.403 100 HB3 SER 12 HB1 SER 12 4.139 1.946 -2.239 101 HG SER 12 HG SER 12 3.653 -0.166 -4.006 102 H ILE 13 HN ILE 13 2.512 -1.776 -1.971 103 HA ILE 13 HA ILE 13 0.193 -1.892 -3.606 104 HB ILE 13 HB ILE 13 1.771 -4.066 -2.240 105 HG12 ILE 13 HG12 ILE 13 1.501 -3.246 -5.141 106 HG13 ILE 13 HG11 ILE 13 2.867 -2.861 -4.100 107 HG21 ILE 13 HG21 ILE 13 -0.566 -4.354 -4.124 108 HG22 ILE 13 HG22 ILE 13 -0.511 -4.850 -2.433 109 HG23 ILE 13 HG23 ILE 13 0.501 -5.666 -3.626 110 HD11 ILE 13 HD11 ILE 13 2.010 -5.621 -4.931 111 HD12 ILE 13 HD12 ILE 13 3.385 -5.231 -3.899 112 HD13 ILE 13 HD13 ILE 13 3.372 -4.712 -5.584 113 H LEU 14 HN LEU 14 0.794 -2.608 -0.186 114 HA LEU 14 HA LEU 14 -1.818 -3.381 0.493 115 HB2 LEU 14 HB2 LEU 14 0.041 -3.653 2.035 116 HB3 LEU 14 HB1 LEU 14 0.263 -1.916 2.119 117 HG LEU 14 HG LEU 14 -2.009 -1.742 3.155 118 HD11 LEU 14 HD11 LEU 14 -3.009 -3.759 4.096 119 HD12 LEU 14 HD12 LEU 14 -1.779 -4.743 3.303 120 HD13 LEU 14 HD13 LEU 14 -2.942 -3.836 2.336 121 HD21 LEU 14 HD21 LEU 14 0.003 -1.679 4.515 122 HD22 LEU 14 HD22 LEU 14 0.019 -3.441 4.597 123 HD23 LEU 14 HD23 LEU 14 -1.289 -2.536 5.357 124 H ARG 15 HN ARG 15 -0.280 -0.215 0.282 125 HA ARG 15 HA ARG 15 -2.422 1.361 1.133 126 HB2 ARG 15 HB2 ARG 15 -0.098 2.158 0.767 127 HB3 ARG 15 HB1 ARG 15 -0.354 2.033 -0.966 128 HG2 ARG 15 HG2 ARG 15 -2.061 3.744 -0.871 129 HG3 ARG 15 HG1 ARG 15 -1.905 3.829 0.886 130 HD2 ARG 15 HD2 ARG 15 0.485 4.457 0.580 131 HD3 ARG 15 HD1 ARG 15 0.200 4.523 -1.157 132 HE ARG 15 HE ARG 15 -1.685 6.186 0.025 133 HH11 ARG 15 HH11 ARG 15 1.789 5.988 -0.289 134 HH12 ARG 15 HH12 ARG 15 2.038 7.698 -0.136 135 HH21 ARG 15 HH21 ARG 15 -1.372 8.448 0.244 136 HH22 ARG 15 HH22 ARG 15 0.240 9.096 0.176 137 H HIS 16 HN HIS 16 -1.711 -0.113 -1.967 138 HA HIS 16 HA HIS 16 -3.858 1.167 -3.360 139 HB2 HIS 16 HB2 HIS 16 -2.200 -1.266 -4.022 140 HB3 HIS 16 HB1 HIS 16 -3.476 -0.664 -5.070 141 HD1 HIS 16 HD1 HIS 16 -1.117 -0.571 -6.607 142 HD2 HIS 16 HD2 HIS 16 -1.772 2.366 -3.743 143 HE1 HIS 16 HE1 HIS 16 0.367 1.350 -7.261 144 HE2 HIS 16 HE2 HIS 16 0.086 3.038 -5.409 145 H GLN 17 HN GLN 17 -3.507 -1.778 -1.503 146 HA GLN 17 HA GLN 17 -5.999 -2.916 -2.264 147 HB2 GLN 17 HB2 GLN 17 -4.339 -3.363 0.224 148 HB3 GLN 17 HB1 GLN 17 -5.741 -4.320 -0.225 149 HG2 GLN 17 HG2 GLN 17 -3.063 -4.188 -1.571 150 HG3 GLN 17 HG1 GLN 17 -3.884 -5.585 -0.878 151 HE21 GLN 17 HE21 GLN 17 -3.542 -3.549 -3.632 152 HE22 GLN 17 HE22 GLN 17 -4.547 -4.464 -4.703 153 H ASN 18 HN ASN 18 -4.978 -0.640 0.190 154 HA ASN 18 HA ASN 18 -7.351 -0.472 1.672 155 HB2 ASN 18 HB2 ASN 18 -5.313 0.620 2.431 156 HB3 ASN 18 HB1 ASN 18 -5.307 1.666 1.014 157 HD21 ASN 18 HD21 ASN 18 -5.425 3.592 2.074 158 HD22 ASN 18 HD22 ASN 18 -6.789 4.085 3.010 159 H LEU 19 HN LEU 19 -6.358 1.107 -1.309 160 HA LEU 19 HA LEU 19 -8.696 2.726 -1.548 161 HB2 LEU 19 HB2 LEU 19 -6.661 1.913 -3.627 162 HB3 LEU 19 HB1 LEU 19 -7.867 3.170 -3.827 163 HG LEU 19 HG LEU 19 -5.624 3.233 -1.802 164 HD11 LEU 19 HD11 LEU 19 -4.780 3.431 -4.077 165 HD12 LEU 19 HD12 LEU 19 -4.673 4.977 -3.236 166 HD13 LEU 19 HD13 LEU 19 -5.955 4.700 -4.416 167 HD21 LEU 19 HD21 LEU 19 -6.295 5.573 -1.507 168 HD22 LEU 19 HD22 LEU 19 -7.586 4.460 -1.057 169 HD23 LEU 19 HD23 LEU 19 -7.656 5.314 -2.598 170 H LEU 20 HN LEU 20 -7.833 -0.499 -2.473 171 HA LEU 20 HA LEU 20 -9.952 -0.776 -4.413 172 HB2 LEU 20 HB2 LEU 20 -7.793 -1.934 -4.677 173 HB3 LEU 20 HB1 LEU 20 -8.103 -2.836 -3.207 174 HG LEU 20 HG LEU 20 -10.064 -3.889 -4.295 175 HD11 LEU 20 HD11 LEU 20 -10.335 -3.682 -6.719 176 HD12 LEU 20 HD12 LEU 20 -9.080 -2.446 -6.753 177 HD13 LEU 20 HD13 LEU 20 -10.593 -2.143 -5.900 178 HD21 LEU 20 HD21 LEU 20 -7.447 -4.190 -5.766 179 HD22 LEU 20 HD22 LEU 20 -8.778 -5.345 -5.795 180 HD23 LEU 20 HD23 LEU 20 -7.919 -5.029 -4.288 181 H LYS 21 HN LYS 21 -9.319 -1.707 -1.083 182 HA LYS 21 HA LYS 21 -11.525 -3.437 -0.751 183 HB2 LYS 21 HB2 LYS 21 -9.617 -3.377 0.803 184 HB3 LYS 21 HB1 LYS 21 -10.087 -1.761 1.314 185 HG2 LYS 21 HG2 LYS 21 -12.217 -2.669 2.149 186 HG3 LYS 21 HG1 LYS 21 -11.679 -4.286 1.695 187 HD2 LYS 21 HD2 LYS 21 -9.744 -4.031 3.203 188 HD3 LYS 21 HD1 LYS 21 -10.364 -2.455 3.696 189 HE2 LYS 21 HE2 LYS 21 -10.986 -4.126 5.336 190 HE3 LYS 21 HE1 LYS 21 -12.426 -3.546 4.502 191 HZ1 LYS 21 HZ1 LYS 21 -12.381 -5.522 3.120 192 HZ2 LYS 21 HZ2 LYS 21 -12.441 -5.951 4.753 193 HZ3 LYS 21 HZ3 LYS 21 -10.986 -6.073 3.901 194 H GLU 22 HN GLU 22 -13.619 -3.057 -0.349 195 HA GLU 22 HA GLU 22 -14.525 -0.298 -0.494 196 HB2 GLU 22 HB2 GLU 22 -16.149 -2.847 -0.455 197 HB3 GLU 22 HB1 GLU 22 -16.731 -1.238 -0.869 198 HG2 GLU 22 HG2 GLU 22 -15.244 -1.211 -2.815 199 HG3 GLU 22 HG1 GLU 22 -14.696 -2.836 -2.406 200 H LEU 23 HN LEU 23 -13.650 0.149 1.663 201 HA LEU 23 HA LEU 23 -14.899 -1.054 3.952 202 HB2 LEU 23 HB2 LEU 23 -12.596 -0.109 3.979 203 HB3 LEU 23 HB1 LEU 23 -13.279 1.490 3.769 204 HG LEU 23 HG LEU 23 -14.464 1.223 5.944 205 HD11 LEU 23 HD11 LEU 23 -13.725 -0.565 7.453 206 HD12 LEU 23 HD12 LEU 23 -12.805 -1.287 6.134 207 HD13 LEU 23 HD13 LEU 23 -14.564 -1.200 6.038 208 HD21 LEU 23 HD21 LEU 23 -11.467 0.909 6.025 209 HD22 LEU 23 HD22 LEU 23 -12.473 1.542 7.327 210 HD23 LEU 23 HD23 LEU 23 -12.347 2.420 5.802 211 H GLN 24 HN GLN 24 -17.102 -0.759 3.513 212 HA GLN 24 HA GLN 24 -18.062 2.022 3.649 213 HB2 GLN 24 HB2 GLN 24 -19.448 -0.376 2.431 214 HB3 GLN 24 HB1 GLN 24 -20.030 1.283 2.409 215 HG2 GLN 24 HG2 GLN 24 -18.200 1.957 0.996 216 HG3 GLN 24 HG1 GLN 24 -17.482 0.352 1.105 217 HE21 GLN 24 HE21 GLN 24 -19.986 2.283 -0.300 218 HE22 GLN 24 HE22 GLN 24 -20.499 1.123 -1.474 219 H ASP 25 HN ASP 25 -19.229 2.558 5.402 220 HA ASP 25 HA ASP 25 -20.158 0.382 7.145 221 HB2 ASP 25 HB2 ASP 25 -18.570 1.913 8.205 222 HB3 ASP 25 HB1 ASP 25 -19.600 3.282 7.801 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 24.828 3.921 -1.180 2 H2 PHE 1 HT2 PHE 1 24.262 2.995 -2.475 3 H3 PHE 1 HT3 PHE 1 24.560 2.262 -0.981 4 HA PHE 1 HA PHE 1 22.811 3.586 0.035 5 HB2 PHE 1 HB2 PHE 1 22.933 5.478 -1.551 6 HB3 PHE 1 HB1 PHE 1 22.278 4.450 -2.820 7 HD1 PHE 1 HD1 PHE 1 21.438 5.583 0.634 8 HD2 PHE 1 HD2 PHE 1 20.035 4.560 -3.251 9 HE1 PHE 1 HE1 PHE 1 19.156 6.218 1.295 10 HE2 PHE 1 HE2 PHE 1 17.750 5.192 -2.595 11 HZ PHE 1 HZ PHE 1 17.307 6.023 -0.320 12 H GLU 2 HN GLU 2 22.271 2.374 -3.287 13 HA GLU 2 HA GLU 2 21.160 0.578 -4.097 14 HB2 GLU 2 HB2 GLU 2 22.360 -0.811 -2.498 15 HB3 GLU 2 HB1 GLU 2 21.224 -0.385 -1.228 16 HG2 GLU 2 HG2 GLU 2 20.765 -2.603 -2.040 17 HG3 GLU 2 HG1 GLU 2 19.435 -1.528 -2.463 18 H THR 3 HN THR 3 19.137 0.583 -4.784 19 HA THR 3 HA THR 3 17.118 1.928 -3.199 20 HB THR 3 HB THR 3 15.709 1.495 -5.300 21 HG1 THR 3 HG1 THR 3 17.988 1.320 -6.826 22 HG21 THR 3 HG21 THR 3 16.740 3.374 -6.481 23 HG22 THR 3 HG22 THR 3 18.196 3.194 -5.503 24 HG23 THR 3 HG23 THR 3 16.677 3.670 -4.745 25 H LEU 4 HN LEU 4 17.007 0.280 -1.564 26 HA LEU 4 HA LEU 4 15.950 -2.310 -2.334 27 HB2 LEU 4 HB2 LEU 4 17.660 -2.113 -0.560 28 HB3 LEU 4 HB1 LEU 4 16.527 -1.185 0.403 29 HG LEU 4 HG LEU 4 15.030 -3.155 0.489 30 HD11 LEU 4 HD11 LEU 4 17.315 -4.549 -0.901 31 HD12 LEU 4 HD12 LEU 4 15.709 -4.253 -1.567 32 HD13 LEU 4 HD13 LEU 4 15.906 -5.340 -0.194 33 HD21 LEU 4 HD21 LEU 4 16.593 -2.728 2.298 34 HD22 LEU 4 HD22 LEU 4 17.848 -3.627 1.448 35 HD23 LEU 4 HD23 LEU 4 16.411 -4.462 2.034 36 H ARG 5 HN ARG 5 13.958 -1.837 -3.145 37 HA ARG 5 HA ARG 5 12.049 -0.473 -1.375 38 HB2 ARG 5 HB2 ARG 5 11.922 -0.950 -4.348 39 HB3 ARG 5 HB1 ARG 5 10.719 -0.089 -3.403 40 HG2 ARG 5 HG2 ARG 5 12.357 1.621 -2.850 41 HG3 ARG 5 HG1 ARG 5 13.584 0.752 -3.777 42 HD2 ARG 5 HD2 ARG 5 12.623 2.589 -5.071 43 HD3 ARG 5 HD1 ARG 5 12.261 1.024 -5.802 44 HE ARG 5 HE ARG 5 10.258 2.234 -4.030 45 HH11 ARG 5 HH11 ARG 5 11.273 1.410 -7.291 46 HH12 ARG 5 HH12 ARG 5 9.674 1.552 -7.951 47 HH21 ARG 5 HH21 ARG 5 8.184 2.433 -4.896 48 HH22 ARG 5 HH22 ARG 5 7.913 2.150 -6.591 49 H GLY 6 HN GLY 6 12.901 -3.433 -1.572 50 HA2 GLY 6 HA2 GLY 6 10.806 -4.967 -2.613 51 HA3 GLY 6 HA1 GLY 6 11.894 -5.485 -1.336 52 H ASP 7 HN ASP 7 11.301 -3.847 0.724 53 HA ASP 7 HA ASP 7 8.769 -4.868 1.577 54 HB2 ASP 7 HB2 ASP 7 9.236 -3.858 3.707 55 HB3 ASP 7 HB1 ASP 7 10.714 -4.602 3.115 56 H GLU 8 HN GLU 8 9.957 -1.856 0.343 57 HA GLU 8 HA GLU 8 7.820 -0.185 1.088 58 HB2 GLU 8 HB2 GLU 8 9.983 0.644 0.244 59 HB3 GLU 8 HB1 GLU 8 9.611 -0.013 -1.341 60 HG2 GLU 8 HG2 GLU 8 7.588 1.484 -1.350 61 HG3 GLU 8 HG1 GLU 8 8.263 2.255 0.084 62 H ARG 9 HN ARG 9 8.286 -2.421 -1.575 63 HA ARG 9 HA ARG 9 6.071 -1.585 -3.124 64 HB2 ARG 9 HB2 ARG 9 7.544 -4.211 -2.982 65 HB3 ARG 9 HB1 ARG 9 6.224 -3.919 -4.107 66 HG2 ARG 9 HG2 ARG 9 8.793 -2.353 -3.984 67 HG3 ARG 9 HG1 ARG 9 8.411 -3.616 -5.153 68 HD2 ARG 9 HD2 ARG 9 6.938 -1.004 -4.806 69 HD3 ARG 9 HD1 ARG 9 8.055 -1.404 -6.110 70 HE ARG 9 HE ARG 9 6.304 -3.330 -6.449 71 HH11 ARG 9 HH11 ARG 9 5.684 0.021 -5.669 72 HH12 ARG 9 HH12 ARG 9 4.154 0.070 -6.477 73 HH21 ARG 9 HH21 ARG 9 4.283 -3.279 -7.519 74 HH22 ARG 9 HH22 ARG 9 3.353 -1.816 -7.526 75 H ILE 10 HN ILE 10 6.435 -3.917 -0.522 76 HA ILE 10 HA ILE 10 3.810 -4.948 -0.623 77 HB ILE 10 HB ILE 10 5.731 -4.731 1.702 78 HG12 ILE 10 HG12 ILE 10 4.982 -7.047 -0.100 79 HG13 ILE 10 HG11 ILE 10 6.503 -6.163 -0.138 80 HG21 ILE 10 HG21 ILE 10 3.142 -6.264 1.518 81 HG22 ILE 10 HG22 ILE 10 3.464 -4.873 2.554 82 HG23 ILE 10 HG23 ILE 10 4.315 -6.392 2.829 83 HD11 ILE 10 HD11 ILE 10 5.488 -7.871 2.120 84 HD12 ILE 10 HD12 ILE 10 6.992 -6.951 2.134 85 HD13 ILE 10 HD13 ILE 10 6.780 -8.275 0.989 86 H LEU 11 HN LEU 11 5.256 -2.218 1.077 87 HA LEU 11 HA LEU 11 2.992 -1.405 2.531 88 HB2 LEU 11 HB2 LEU 11 5.391 -0.654 2.832 89 HB3 LEU 11 HB1 LEU 11 5.176 0.370 1.432 90 HG LEU 11 HG LEU 11 3.443 0.649 3.881 91 HD11 LEU 11 HD11 LEU 11 6.062 2.015 3.278 92 HD12 LEU 11 HD12 LEU 11 5.734 0.903 4.608 93 HD13 LEU 11 HD13 LEU 11 4.941 2.478 4.560 94 HD21 LEU 11 HD21 LEU 11 4.153 2.544 1.640 95 HD22 LEU 11 HD22 LEU 11 3.142 2.929 3.033 96 HD23 LEU 11 HD23 LEU 11 2.606 1.724 1.861 97 H SER 12 HN SER 12 4.213 -0.364 -0.653 98 HA SER 12 HA SER 12 2.155 1.541 -1.050 99 HB2 SER 12 HB2 SER 12 3.011 1.466 -3.458 100 HB3 SER 12 HB1 SER 12 4.159 1.941 -2.209 101 HG SER 12 HG SER 12 5.144 0.001 -2.343 102 H ILE 13 HN ILE 13 2.537 -1.827 -2.042 103 HA ILE 13 HA ILE 13 0.184 -1.879 -3.638 104 HB ILE 13 HB ILE 13 1.738 -4.110 -2.326 105 HG12 ILE 13 HG12 ILE 13 1.506 -3.251 -5.218 106 HG13 ILE 13 HG11 ILE 13 2.850 -2.848 -4.157 107 HG21 ILE 13 HG21 ILE 13 0.452 -5.657 -3.737 108 HG22 ILE 13 HG22 ILE 13 -0.572 -4.318 -4.256 109 HG23 ILE 13 HG23 ILE 13 -0.572 -4.825 -2.568 110 HD11 ILE 13 HD11 ILE 13 3.390 -4.697 -5.641 111 HD12 ILE 13 HD12 ILE 13 2.042 -5.624 -4.981 112 HD13 ILE 13 HD13 ILE 13 3.410 -5.201 -3.952 113 H LEU 14 HN LEU 14 0.862 -2.533 -0.242 114 HA LEU 14 HA LEU 14 -1.717 -3.371 0.498 115 HB2 LEU 14 HB2 LEU 14 0.273 -3.547 1.956 116 HB3 LEU 14 HB1 LEU 14 0.287 -1.804 2.127 117 HG LEU 14 HG LEU 14 -1.961 -1.948 3.204 118 HD11 LEU 14 HD11 LEU 14 -2.693 -4.066 2.269 119 HD12 LEU 14 HD12 LEU 14 -2.700 -4.136 4.031 120 HD13 LEU 14 HD13 LEU 14 -1.401 -4.910 3.124 121 HD21 LEU 14 HD21 LEU 14 0.266 -3.510 4.504 122 HD22 LEU 14 HD22 LEU 14 -1.116 -2.804 5.339 123 HD23 LEU 14 HD23 LEU 14 0.059 -1.759 4.541 124 H ARG 15 HN ARG 15 -0.246 -0.175 0.197 125 HA ARG 15 HA ARG 15 -2.429 1.352 1.057 126 HB2 ARG 15 HB2 ARG 15 -0.182 2.286 0.701 127 HB3 ARG 15 HB1 ARG 15 -0.355 2.044 -1.031 128 HG2 ARG 15 HG2 ARG 15 -2.160 3.647 -1.114 129 HG3 ARG 15 HG1 ARG 15 -2.100 3.844 0.638 130 HD2 ARG 15 HD2 ARG 15 0.243 4.638 0.409 131 HD3 ARG 15 HD1 ARG 15 0.058 4.559 -1.341 132 HE ARG 15 HE ARG 15 -2.021 6.135 -0.416 133 HH11 ARG 15 HH11 ARG 15 1.475 6.236 -0.365 134 HH12 ARG 15 HH12 ARG 15 1.553 7.968 -0.348 135 HH21 ARG 15 HH21 ARG 15 -1.923 8.417 -0.386 136 HH22 ARG 15 HH22 ARG 15 -0.379 9.209 -0.353 137 H HIS 16 HN HIS 16 -1.677 -0.107 -2.044 138 HA HIS 16 HA HIS 16 -3.800 1.106 -3.493 139 HB2 HIS 16 HB2 HIS 16 -2.267 -1.448 -4.007 140 HB3 HIS 16 HB1 HIS 16 -3.462 -0.790 -5.115 141 HD1 HIS 16 HD1 HIS 16 -0.794 -1.083 -6.313 142 HD2 HIS 16 HD2 HIS 16 -1.807 2.287 -4.096 143 HE1 HIS 16 HE1 HIS 16 0.776 0.727 -7.077 144 HE2 HIS 16 HE2 HIS 16 0.025 2.796 -5.850 145 H GLN 17 HN GLN 17 -3.596 -1.625 -1.366 146 HA GLN 17 HA GLN 17 -6.165 -2.691 -2.077 147 HB2 GLN 17 HB2 GLN 17 -4.429 -3.200 0.348 148 HB3 GLN 17 HB1 GLN 17 -5.897 -4.085 -0.037 149 HG2 GLN 17 HG2 GLN 17 -3.347 -4.034 -1.638 150 HG3 GLN 17 HG1 GLN 17 -3.995 -5.380 -0.702 151 HE21 GLN 17 HE21 GLN 17 -3.330 -5.128 -3.559 152 HE22 GLN 17 HE22 GLN 17 -4.773 -5.551 -4.415 153 H ASN 18 HN ASN 18 -4.899 -0.432 0.291 154 HA ASN 18 HA ASN 18 -7.296 -0.173 1.780 155 HB2 ASN 18 HB2 ASN 18 -5.205 0.577 2.757 156 HB3 ASN 18 HB1 ASN 18 -4.968 1.735 1.456 157 HD21 ASN 18 HD21 ASN 18 -5.906 3.723 1.601 158 HD22 ASN 18 HD22 ASN 18 -6.891 4.226 2.925 159 H LEU 19 HN LEU 19 -6.038 1.401 -1.083 160 HA LEU 19 HA LEU 19 -8.158 3.302 -1.292 161 HB2 LEU 19 HB2 LEU 19 -6.130 2.315 -3.285 162 HB3 LEU 19 HB1 LEU 19 -7.307 3.560 -3.652 163 HG LEU 19 HG LEU 19 -5.196 3.759 -1.501 164 HD11 LEU 19 HD11 LEU 19 -5.341 5.031 -4.230 165 HD12 LEU 19 HD12 LEU 19 -4.202 3.786 -3.718 166 HD13 LEU 19 HD13 LEU 19 -4.139 5.390 -2.991 167 HD21 LEU 19 HD21 LEU 19 -7.161 5.056 -0.946 168 HD22 LEU 19 HD22 LEU 19 -7.185 5.763 -2.561 169 HD23 LEU 19 HD23 LEU 19 -5.864 6.137 -1.455 170 H LEU 20 HN LEU 20 -7.814 -0.016 -2.092 171 HA LEU 20 HA LEU 20 -9.827 -0.125 -4.111 172 HB2 LEU 20 HB2 LEU 20 -8.044 -1.824 -3.869 173 HB3 LEU 20 HB1 LEU 20 -8.741 -2.320 -2.340 174 HG LEU 20 HG LEU 20 -10.788 -3.042 -3.519 175 HD11 LEU 20 HD11 LEU 20 -9.238 -2.322 -6.003 176 HD12 LEU 20 HD12 LEU 20 -10.710 -1.545 -5.424 177 HD13 LEU 20 HD13 LEU 20 -10.754 -3.220 -5.968 178 HD21 LEU 20 HD21 LEU 20 -8.238 -4.231 -4.599 179 HD22 LEU 20 HD22 LEU 20 -9.818 -5.013 -4.579 180 HD23 LEU 20 HD23 LEU 20 -9.000 -4.637 -3.063 181 H LYS 21 HN LYS 21 -9.799 -0.095 -0.660 182 HA LYS 21 HA LYS 21 -12.633 -0.812 -0.532 183 HB2 LYS 21 HB2 LYS 21 -10.452 -0.561 1.499 184 HB3 LYS 21 HB1 LYS 21 -12.119 -0.368 2.015 185 HG2 LYS 21 HG2 LYS 21 -11.444 -2.627 2.393 186 HG3 LYS 21 HG1 LYS 21 -12.624 -2.602 1.085 187 HD2 LYS 21 HD2 LYS 21 -10.847 -2.811 -0.556 188 HD3 LYS 21 HD1 LYS 21 -9.631 -2.748 0.724 189 HE2 LYS 21 HE2 LYS 21 -10.550 -4.807 1.686 190 HE3 LYS 21 HE1 LYS 21 -11.745 -4.876 0.392 191 HZ1 LYS 21 HZ1 LYS 21 -8.808 -4.958 -0.016 192 HZ2 LYS 21 HZ2 LYS 21 -9.998 -5.148 -1.207 193 HZ3 LYS 21 HZ3 LYS 21 -9.818 -6.314 0.001 194 H GLU 22 HN GLU 22 -13.803 0.594 1.232 195 HA GLU 22 HA GLU 22 -14.819 2.555 1.723 196 HB2 GLU 22 HB2 GLU 22 -12.491 2.924 2.689 197 HB3 GLU 22 HB1 GLU 22 -12.147 3.873 1.253 198 HG2 GLU 22 HG2 GLU 22 -13.927 5.422 1.826 199 HG3 GLU 22 HG1 GLU 22 -14.327 4.454 3.243 200 H LEU 23 HN LEU 23 -14.917 1.652 -0.938 201 HA LEU 23 HA LEU 23 -14.864 4.119 -2.523 202 HB2 LEU 23 HB2 LEU 23 -15.216 1.235 -3.334 203 HB3 LEU 23 HB1 LEU 23 -15.352 2.583 -4.444 204 HG LEU 23 HG LEU 23 -12.867 1.790 -2.922 205 HD11 LEU 23 HD11 LEU 23 -13.443 0.262 -4.743 206 HD12 LEU 23 HD12 LEU 23 -11.994 1.197 -5.113 207 HD13 LEU 23 HD13 LEU 23 -13.534 1.627 -5.856 208 HD21 LEU 23 HD21 LEU 23 -11.763 3.499 -4.317 209 HD22 LEU 23 HD22 LEU 23 -12.944 4.191 -3.207 210 HD23 LEU 23 HD23 LEU 23 -13.343 4.003 -4.915 211 H GLN 24 HN GLN 24 -16.847 2.894 -0.427 212 HA GLN 24 HA GLN 24 -19.022 3.287 0.073 213 HB2 GLN 24 HB2 GLN 24 -19.129 4.641 -2.624 214 HB3 GLN 24 HB1 GLN 24 -20.408 4.692 -1.418 215 HG2 GLN 24 HG2 GLN 24 -18.980 5.869 0.117 216 HG3 GLN 24 HG1 GLN 24 -17.610 5.707 -0.977 217 HE21 GLN 24 HE21 GLN 24 -19.242 6.250 -3.345 218 HE22 GLN 24 HE22 GLN 24 -19.544 7.952 -3.322 219 H ASP 25 HN ASP 25 -21.305 2.755 -0.735 220 HA ASP 25 HA ASP 25 -21.106 0.187 -2.152 221 HB2 ASP 25 HB2 ASP 25 -23.095 1.161 -0.091 222 HB3 ASP 25 HB1 ASP 25 -23.302 -0.326 -1.007 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 17.956 10.004 -0.370 2 H2 PHE 1 HT2 PHE 1 19.624 9.990 -0.633 3 H3 PHE 1 HT3 PHE 1 18.958 9.074 0.620 4 HA PHE 1 HA PHE 1 18.435 8.649 -2.256 5 HB2 PHE 1 HB2 PHE 1 19.831 6.651 -2.057 6 HB3 PHE 1 HB1 PHE 1 20.764 8.072 -1.612 7 HD1 PHE 1 HD1 PHE 1 19.647 4.840 -0.623 8 HD2 PHE 1 HD2 PHE 1 21.054 8.566 0.867 9 HE1 PHE 1 HE1 PHE 1 20.251 3.763 1.500 10 HE2 PHE 1 HE2 PHE 1 21.653 7.495 2.993 11 HZ PHE 1 HZ PHE 1 21.253 5.087 3.314 12 H GLU 2 HN GLU 2 17.178 6.761 -2.685 13 HA GLU 2 HA GLU 2 15.349 6.165 -0.490 14 HB2 GLU 2 HB2 GLU 2 13.909 5.185 -2.314 15 HB3 GLU 2 HB1 GLU 2 14.211 6.910 -2.459 16 HG2 GLU 2 HG2 GLU 2 15.936 6.458 -4.134 17 HG3 GLU 2 HG1 GLU 2 15.598 4.732 -4.002 18 H THR 3 HN THR 3 15.451 4.308 0.567 19 HA THR 3 HA THR 3 17.416 2.360 -0.164 20 HB THR 3 HB THR 3 16.498 1.149 1.874 21 HG1 THR 3 HG1 THR 3 14.421 2.362 1.718 22 HG21 THR 3 HG21 THR 3 17.508 3.974 2.142 23 HG22 THR 3 HG22 THR 3 18.478 2.508 2.018 24 HG23 THR 3 HG23 THR 3 17.484 2.788 3.445 25 H LEU 4 HN LEU 4 16.870 1.244 -1.981 26 HA LEU 4 HA LEU 4 14.252 0.157 -2.384 27 HB2 LEU 4 HB2 LEU 4 15.618 0.727 -4.302 28 HB3 LEU 4 HB1 LEU 4 16.864 -0.392 -3.787 29 HG LEU 4 HG LEU 4 15.266 -2.266 -4.128 30 HD11 LEU 4 HD11 LEU 4 13.512 -0.120 -5.305 31 HD12 LEU 4 HD12 LEU 4 13.188 -1.040 -3.836 32 HD13 LEU 4 HD13 LEU 4 13.221 -1.856 -5.400 33 HD21 LEU 4 HD21 LEU 4 16.874 -1.658 -5.859 34 HD22 LEU 4 HD22 LEU 4 15.720 -0.506 -6.532 35 HD23 LEU 4 HD23 LEU 4 15.364 -2.233 -6.566 36 H ARG 5 HN ARG 5 13.902 -0.972 -0.515 37 HA ARG 5 HA ARG 5 15.536 -3.350 -0.006 38 HB2 ARG 5 HB2 ARG 5 13.465 -1.898 1.627 39 HB3 ARG 5 HB1 ARG 5 14.108 -3.465 2.087 40 HG2 ARG 5 HG2 ARG 5 16.288 -2.586 2.374 41 HG3 ARG 5 HG1 ARG 5 15.837 -1.055 1.621 42 HD2 ARG 5 HD2 ARG 5 15.986 -1.135 4.175 43 HD3 ARG 5 HD1 ARG 5 14.558 -0.391 3.457 44 HE ARG 5 HE ARG 5 13.604 -2.806 3.819 45 HH11 ARG 5 HH11 ARG 5 15.729 -1.028 5.968 46 HH12 ARG 5 HH12 ARG 5 15.080 -1.749 7.405 47 HH21 ARG 5 HH21 ARG 5 12.750 -3.739 5.692 48 HH22 ARG 5 HH22 ARG 5 13.387 -3.308 7.246 49 H GLY 6 HN GLY 6 12.544 -2.373 -1.338 50 HA2 GLY 6 HA2 GLY 6 11.131 -3.856 -2.551 51 HA3 GLY 6 HA1 GLY 6 11.715 -5.180 -1.553 52 H ASP 7 HN ASP 7 11.394 -3.470 0.870 53 HA ASP 7 HA ASP 7 8.903 -4.398 1.701 54 HB2 ASP 7 HB2 ASP 7 10.524 -2.132 2.872 55 HB3 ASP 7 HB1 ASP 7 9.179 -2.936 3.667 56 H GLU 8 HN GLU 8 9.848 -1.366 0.249 57 HA GLU 8 HA GLU 8 7.536 0.107 0.889 58 HB2 GLU 8 HB2 GLU 8 9.620 1.162 0.150 59 HB3 GLU 8 HB1 GLU 8 9.435 0.434 -1.437 60 HG2 GLU 8 HG2 GLU 8 7.484 1.747 -1.874 61 HG3 GLU 8 HG1 GLU 8 7.490 2.379 -0.229 62 H ARG 9 HN ARG 9 8.224 -2.252 -1.581 63 HA ARG 9 HA ARG 9 5.975 -1.724 -3.226 64 HB2 ARG 9 HB2 ARG 9 7.665 -4.174 -2.794 65 HB3 ARG 9 HB1 ARG 9 6.270 -4.193 -3.861 66 HG2 ARG 9 HG2 ARG 9 8.591 -2.307 -4.145 67 HG3 ARG 9 HG1 ARG 9 8.423 -3.826 -5.023 68 HD2 ARG 9 HD2 ARG 9 6.551 -1.464 -5.145 69 HD3 ARG 9 HD1 ARG 9 7.689 -1.961 -6.395 70 HE ARG 9 HE ARG 9 6.168 -4.164 -6.081 71 HH11 ARG 9 HH11 ARG 9 5.371 -0.792 -6.564 72 HH12 ARG 9 HH12 ARG 9 3.899 -1.131 -7.421 73 HH21 ARG 9 HH21 ARG 9 4.227 -4.618 -7.215 74 HH22 ARG 9 HH22 ARG 9 3.251 -3.302 -7.786 75 H ILE 10 HN ILE 10 6.491 -3.758 -0.406 76 HA ILE 10 HA ILE 10 3.919 -4.923 -0.345 77 HB ILE 10 HB ILE 10 5.823 -4.365 1.941 78 HG12 ILE 10 HG12 ILE 10 5.287 -6.919 0.404 79 HG13 ILE 10 HG11 ILE 10 6.693 -5.886 0.179 80 HG21 ILE 10 HG21 ILE 10 3.374 -6.129 1.870 81 HG22 ILE 10 HG22 ILE 10 3.560 -4.632 2.784 82 HG23 ILE 10 HG23 ILE 10 4.535 -6.044 3.195 83 HD11 ILE 10 HD11 ILE 10 5.972 -7.378 2.689 84 HD12 ILE 10 HD12 ILE 10 7.370 -6.323 2.490 85 HD13 ILE 10 HD13 ILE 10 7.241 -7.805 1.543 86 H LEU 11 HN LEU 11 5.283 -2.009 1.076 87 HA LEU 11 HA LEU 11 3.014 -1.137 2.481 88 HB2 LEU 11 HB2 LEU 11 5.403 -0.276 2.638 89 HB3 LEU 11 HB1 LEU 11 5.085 0.636 1.181 90 HG LEU 11 HG LEU 11 3.462 0.998 3.700 91 HD11 LEU 11 HD11 LEU 11 5.908 2.513 2.798 92 HD12 LEU 11 HD12 LEU 11 5.800 1.454 4.203 93 HD13 LEU 11 HD13 LEU 11 4.868 2.951 4.153 94 HD21 LEU 11 HD21 LEU 11 2.422 1.844 1.661 95 HD22 LEU 11 HD22 LEU 11 3.889 2.743 1.272 96 HD23 LEU 11 HD23 LEU 11 2.940 3.176 2.695 97 H SER 12 HN SER 12 4.150 -0.360 -0.809 98 HA SER 12 HA SER 12 2.046 1.466 -1.305 99 HB2 SER 12 HB2 SER 12 2.830 1.266 -3.704 100 HB3 SER 12 HB1 SER 12 4.044 1.773 -2.531 101 HG SER 12 HG SER 12 5.025 -0.143 -2.669 102 H ILE 13 HN ILE 13 2.477 -1.964 -2.099 103 HA ILE 13 HA ILE 13 0.142 -2.140 -3.684 104 HB ILE 13 HB ILE 13 1.632 -4.284 -2.170 105 HG12 ILE 13 HG12 ILE 13 1.476 -3.617 -5.119 106 HG13 ILE 13 HG11 ILE 13 2.831 -3.237 -4.062 107 HG21 ILE 13 HG21 ILE 13 -0.665 -4.571 -4.104 108 HG22 ILE 13 HG22 ILE 13 -0.671 -4.992 -2.392 109 HG23 ILE 13 HG23 ILE 13 0.335 -5.901 -3.519 110 HD11 ILE 13 HD11 ILE 13 3.289 -5.192 -5.421 111 HD12 ILE 13 HD12 ILE 13 1.863 -5.996 -4.767 112 HD13 ILE 13 HD13 ILE 13 3.224 -5.618 -3.712 113 H LEU 14 HN LEU 14 0.743 -2.805 -0.246 114 HA LEU 14 HA LEU 14 -1.914 -3.511 0.379 115 HB2 LEU 14 HB2 LEU 14 0.027 -3.977 1.840 116 HB3 LEU 14 HB1 LEU 14 0.178 -2.263 2.167 117 HG LEU 14 HG LEU 14 -2.005 -2.269 3.282 118 HD11 LEU 14 HD11 LEU 14 -3.084 -4.046 2.020 119 HD12 LEU 14 HD12 LEU 14 -3.143 -4.383 3.749 120 HD13 LEU 14 HD13 LEU 14 -1.985 -5.231 2.725 121 HD21 LEU 14 HD21 LEU 14 -0.004 -2.672 4.603 122 HD22 LEU 14 HD22 LEU 14 -0.122 -4.402 4.283 123 HD23 LEU 14 HD23 LEU 14 -1.364 -3.595 5.239 124 H ARG 15 HN ARG 15 -0.203 -0.438 0.265 125 HA ARG 15 HA ARG 15 -2.248 1.199 1.261 126 HB2 ARG 15 HB2 ARG 15 0.099 1.918 0.907 127 HB3 ARG 15 HB1 ARG 15 -0.180 1.891 -0.828 128 HG2 ARG 15 HG2 ARG 15 -1.874 3.627 -0.589 129 HG3 ARG 15 HG1 ARG 15 -1.597 3.655 1.154 130 HD2 ARG 15 HD2 ARG 15 0.795 4.214 0.676 131 HD3 ARG 15 HD1 ARG 15 0.350 4.385 -1.021 132 HE ARG 15 HE ARG 15 -1.240 5.989 0.774 133 HH11 ARG 15 HH11 ARG 15 1.661 5.827 -1.177 134 HH12 ARG 15 HH12 ARG 15 1.864 7.549 -1.246 135 HH21 ARG 15 HH21 ARG 15 -0.971 8.252 0.705 136 HH22 ARG 15 HH22 ARG 15 0.368 8.932 -0.168 137 H HIS 16 HN HIS 16 -1.590 -0.044 -1.961 138 HA HIS 16 HA HIS 16 -3.648 1.405 -3.281 139 HB2 HIS 16 HB2 HIS 16 -2.213 -1.151 -3.999 140 HB3 HIS 16 HB1 HIS 16 -3.448 -0.437 -5.023 141 HD1 HIS 16 HD1 HIS 16 -1.044 -0.612 -6.515 142 HD2 HIS 16 HD2 HIS 16 -1.534 2.487 -3.785 143 HE1 HIS 16 HE1 HIS 16 0.577 1.177 -7.225 144 HE2 HIS 16 HE2 HIS 16 0.117 3.114 -5.675 145 H GLN 17 HN GLN 17 -3.521 -1.708 -1.659 146 HA GLN 17 HA GLN 17 -6.140 -2.527 -2.403 147 HB2 GLN 17 HB2 GLN 17 -4.463 -3.418 -0.046 148 HB3 GLN 17 HB1 GLN 17 -5.905 -4.227 -0.638 149 HG2 GLN 17 HG2 GLN 17 -3.256 -3.955 -2.043 150 HG3 GLN 17 HG1 GLN 17 -4.005 -5.426 -1.426 151 HE21 GLN 17 HE21 GLN 17 -3.101 -4.641 -4.139 152 HE22 GLN 17 HE22 GLN 17 -4.474 -4.875 -5.162 153 H ASN 18 HN ASN 18 -4.805 -0.624 0.206 154 HA ASN 18 HA ASN 18 -7.097 -0.425 1.816 155 HB2 ASN 18 HB2 ASN 18 -4.963 0.388 2.636 156 HB3 ASN 18 HB1 ASN 18 -4.872 1.570 1.334 157 HD21 ASN 18 HD21 ASN 18 -4.789 3.384 2.603 158 HD22 ASN 18 HD22 ASN 18 -6.097 3.897 3.604 159 H LEU 19 HN LEU 19 -6.019 1.437 -0.979 160 HA LEU 19 HA LEU 19 -8.190 3.280 -0.926 161 HB2 LEU 19 HB2 LEU 19 -6.326 2.542 -3.184 162 HB3 LEU 19 HB1 LEU 19 -7.406 3.924 -3.174 163 HG LEU 19 HG LEU 19 -5.060 3.496 -1.319 164 HD11 LEU 19 HD11 LEU 19 -4.100 5.422 -2.506 165 HD12 LEU 19 HD12 LEU 19 -5.471 5.405 -3.616 166 HD13 LEU 19 HD13 LEU 19 -4.356 4.039 -3.571 167 HD21 LEU 19 HD21 LEU 19 -5.516 5.783 -0.559 168 HD22 LEU 19 HD22 LEU 19 -6.849 4.692 -0.189 169 HD23 LEU 19 HD23 LEU 19 -6.978 5.813 -1.545 170 H LEU 20 HN LEU 20 -7.705 0.119 -2.285 171 HA LEU 20 HA LEU 20 -9.991 0.206 -4.012 172 HB2 LEU 20 HB2 LEU 20 -8.377 -2.113 -2.957 173 HB3 LEU 20 HB1 LEU 20 -9.681 -2.272 -4.117 174 HG LEU 20 HG LEU 20 -7.103 -0.766 -4.552 175 HD11 LEU 20 HD11 LEU 20 -6.819 -3.185 -4.537 176 HD12 LEU 20 HD12 LEU 20 -6.610 -2.526 -6.157 177 HD13 LEU 20 HD13 LEU 20 -8.109 -3.348 -5.729 178 HD21 LEU 20 HD21 LEU 20 -8.924 0.300 -5.744 179 HD22 LEU 20 HD22 LEU 20 -9.435 -1.255 -6.401 180 HD23 LEU 20 HD23 LEU 20 -7.886 -0.563 -6.877 181 H LYS 21 HN LYS 21 -9.391 -0.547 -0.688 182 HA LYS 21 HA LYS 21 -11.923 -1.865 -0.290 183 HB2 LYS 21 HB2 LYS 21 -9.943 -2.456 1.075 184 HB3 LYS 21 HB1 LYS 21 -9.948 -0.835 1.755 185 HG2 LYS 21 HG2 LYS 21 -12.171 -1.249 2.702 186 HG3 LYS 21 HG1 LYS 21 -12.128 -2.887 2.052 187 HD2 LYS 21 HD2 LYS 21 -10.143 -3.364 3.407 188 HD3 LYS 21 HD1 LYS 21 -10.207 -1.728 4.066 189 HE2 LYS 21 HE2 LYS 21 -12.405 -2.192 5.022 190 HE3 LYS 21 HE1 LYS 21 -12.364 -3.820 4.348 191 HZ1 LYS 21 HZ1 LYS 21 -10.455 -2.747 6.351 192 HZ2 LYS 21 HZ2 LYS 21 -10.464 -4.320 5.733 193 HZ3 LYS 21 HZ3 LYS 21 -11.750 -3.781 6.690 194 H GLU 22 HN GLU 22 -13.147 -0.078 -1.246 195 HA GLU 22 HA GLU 22 -13.486 2.265 0.423 196 HB2 GLU 22 HB2 GLU 22 -13.670 2.344 -2.081 197 HB3 GLU 22 HB1 GLU 22 -15.134 1.381 -1.957 198 HG2 GLU 22 HG2 GLU 22 -15.526 3.816 -2.239 199 HG3 GLU 22 HG1 GLU 22 -16.276 3.121 -0.801 200 H LEU 23 HN LEU 23 -13.844 0.497 2.139 201 HA LEU 23 HA LEU 23 -16.724 -0.063 2.365 202 HB2 LEU 23 HB2 LEU 23 -14.462 -1.875 3.212 203 HB3 LEU 23 HB1 LEU 23 -16.168 -2.188 3.460 204 HG LEU 23 HG LEU 23 -14.850 -1.963 0.751 205 HD11 LEU 23 HD11 LEU 23 -15.712 -4.417 2.275 206 HD12 LEU 23 HD12 LEU 23 -14.047 -3.918 1.986 207 HD13 LEU 23 HD13 LEU 23 -15.076 -4.382 0.632 208 HD21 LEU 23 HD21 LEU 23 -16.943 -2.910 -0.075 209 HD22 LEU 23 HD22 LEU 23 -17.220 -1.374 0.744 210 HD23 LEU 23 HD23 LEU 23 -17.606 -2.891 1.559 211 H GLN 24 HN GLN 24 -17.170 1.576 3.770 212 HA GLN 24 HA GLN 24 -16.020 1.269 6.448 213 HB2 GLN 24 HB2 GLN 24 -15.892 3.686 6.736 214 HB3 GLN 24 HB1 GLN 24 -14.900 3.182 5.377 215 HG2 GLN 24 HG2 GLN 24 -16.652 3.899 3.833 216 HG3 GLN 24 HG1 GLN 24 -17.641 4.414 5.200 217 HE21 GLN 24 HE21 GLN 24 -16.986 6.209 6.417 218 HE22 GLN 24 HE22 GLN 24 -15.883 7.376 5.774 219 H ASP 25 HN ASP 25 -17.434 2.064 8.151 220 HA ASP 25 HA ASP 25 -20.248 2.095 7.287 221 HB2 ASP 25 HB2 ASP 25 -19.073 0.821 9.768 222 HB3 ASP 25 HB1 ASP 25 -20.795 0.970 9.440 Start of MODEL 11 1 H1 PHE 1 HT1 PHE 1 14.345 9.938 0.609 2 H2 PHE 1 HT2 PHE 1 14.781 10.486 2.147 3 H3 PHE 1 HT3 PHE 1 13.206 9.948 1.859 4 HA PHE 1 HA PHE 1 15.645 8.278 1.743 5 HB2 PHE 1 HB2 PHE 1 14.922 9.030 4.037 6 HB3 PHE 1 HB1 PHE 1 13.383 8.227 3.756 7 HD1 PHE 1 HD1 PHE 1 13.120 5.994 4.318 8 HD2 PHE 1 HD2 PHE 1 17.038 7.592 3.882 9 HE1 PHE 1 HE1 PHE 1 14.068 3.900 5.190 10 HE2 PHE 1 HE2 PHE 1 17.992 5.499 4.744 11 HZ PHE 1 HZ PHE 1 16.508 3.646 5.402 12 H GLU 2 HN GLU 2 14.921 7.614 -0.373 13 HA GLU 2 HA GLU 2 12.470 5.985 -0.326 14 HB2 GLU 2 HB2 GLU 2 13.945 7.077 -2.731 15 HB3 GLU 2 HB1 GLU 2 12.414 6.216 -2.760 16 HG2 GLU 2 HG2 GLU 2 11.432 8.078 -1.419 17 HG3 GLU 2 HG1 GLU 2 12.953 8.946 -1.617 18 H THR 3 HN THR 3 13.649 4.295 0.718 19 HA THR 3 HA THR 3 15.790 3.045 -0.825 20 HB THR 3 HB THR 3 16.016 1.604 1.241 21 HG1 THR 3 HG1 THR 3 13.769 2.257 1.918 22 HG21 THR 3 HG21 THR 3 17.479 3.516 0.838 23 HG22 THR 3 HG22 THR 3 17.115 3.352 2.556 24 HG23 THR 3 HG23 THR 3 16.301 4.587 1.597 25 H LEU 4 HN LEU 4 14.885 1.833 -2.422 26 HA LEU 4 HA LEU 4 12.532 0.238 -1.899 27 HB2 LEU 4 HB2 LEU 4 12.856 1.320 -4.084 28 HB3 LEU 4 HB1 LEU 4 14.298 0.359 -4.343 29 HG LEU 4 HG LEU 4 12.904 -1.690 -4.314 30 HD11 LEU 4 HD11 LEU 4 10.629 0.276 -4.139 31 HD12 LEU 4 HD12 LEU 4 11.077 -0.936 -2.938 32 HD13 LEU 4 HD13 LEU 4 10.460 -1.439 -4.511 33 HD21 LEU 4 HD21 LEU 4 11.858 -1.333 -6.496 34 HD22 LEU 4 HD22 LEU 4 13.471 -0.626 -6.430 35 HD23 LEU 4 HD23 LEU 4 12.049 0.409 -6.302 36 H ARG 5 HN ARG 5 13.538 -0.939 -0.163 37 HA ARG 5 HA ARG 5 15.558 -2.904 -0.893 38 HB2 ARG 5 HB2 ARG 5 14.158 -2.501 1.752 39 HB3 ARG 5 HB1 ARG 5 15.587 -3.480 1.465 40 HG2 ARG 5 HG2 ARG 5 16.839 -1.471 0.861 41 HG3 ARG 5 HG1 ARG 5 15.404 -0.492 1.166 42 HD2 ARG 5 HD2 ARG 5 16.843 -2.195 3.195 43 HD3 ARG 5 HD1 ARG 5 16.969 -0.445 3.050 44 HE ARG 5 HE ARG 5 14.405 -1.775 3.668 45 HH11 ARG 5 HH11 ARG 5 16.814 0.692 4.316 46 HH12 ARG 5 HH12 ARG 5 15.939 1.370 5.649 47 HH21 ARG 5 HH21 ARG 5 13.256 -0.866 5.434 48 HH22 ARG 5 HH22 ARG 5 13.924 0.495 6.278 49 H GLY 6 HN GLY 6 12.174 -2.620 -0.627 50 HA2 GLY 6 HA2 GLY 6 11.267 -4.704 -1.926 51 HA3 GLY 6 HA1 GLY 6 11.781 -5.518 -0.457 52 H ASP 7 HN ASP 7 11.034 -3.902 1.525 53 HA ASP 7 HA ASP 7 8.337 -4.539 1.802 54 HB2 ASP 7 HB2 ASP 7 9.957 -2.561 3.396 55 HB3 ASP 7 HB1 ASP 7 8.384 -3.190 3.867 56 H GLU 8 HN GLU 8 9.821 -1.684 0.528 57 HA GLU 8 HA GLU 8 7.728 0.145 0.825 58 HB2 GLU 8 HB2 GLU 8 10.000 0.748 0.060 59 HB3 GLU 8 HB1 GLU 8 9.687 -0.062 -1.466 60 HG2 GLU 8 HG2 GLU 8 7.848 1.522 -1.890 61 HG3 GLU 8 HG1 GLU 8 8.260 2.358 -0.396 62 H ARG 9 HN ARG 9 8.207 -2.482 -1.432 63 HA ARG 9 HA ARG 9 6.093 -1.732 -3.207 64 HB2 ARG 9 HB2 ARG 9 7.477 -4.378 -2.757 65 HB3 ARG 9 HB1 ARG 9 6.283 -4.098 -4.015 66 HG2 ARG 9 HG2 ARG 9 8.936 -2.703 -3.751 67 HG3 ARG 9 HG1 ARG 9 8.538 -3.979 -4.901 68 HD2 ARG 9 HD2 ARG 9 7.313 -1.227 -4.763 69 HD3 ARG 9 HD1 ARG 9 8.433 -1.815 -5.988 70 HE ARG 9 HE ARG 9 6.423 -3.557 -6.233 71 HH11 ARG 9 HH11 ARG 9 6.429 -0.068 -5.991 72 HH12 ARG 9 HH12 ARG 9 4.989 0.130 -6.938 73 HH21 ARG 9 HH21 ARG 9 4.520 -3.303 -7.491 74 HH22 ARG 9 HH22 ARG 9 3.909 -1.709 -7.800 75 H ILE 10 HN ILE 10 6.383 -3.915 -0.454 76 HA ILE 10 HA ILE 10 3.729 -4.874 -0.503 77 HB ILE 10 HB ILE 10 5.576 -4.547 1.874 78 HG12 ILE 10 HG12 ILE 10 4.989 -6.978 0.169 79 HG13 ILE 10 HG11 ILE 10 6.461 -6.019 0.082 80 HG21 ILE 10 HG21 ILE 10 3.265 -4.739 2.596 81 HG22 ILE 10 HG22 ILE 10 4.144 -6.222 2.970 82 HG23 ILE 10 HG23 ILE 10 3.048 -6.170 1.589 83 HD11 ILE 10 HD11 ILE 10 5.512 -7.604 2.454 84 HD12 ILE 10 HD12 ILE 10 6.981 -6.631 2.392 85 HD13 ILE 10 HD13 ILE 10 6.815 -8.046 1.352 86 H LEU 11 HN LEU 11 5.266 -2.114 1.033 87 HA LEU 11 HA LEU 11 3.100 -1.119 2.491 88 HB2 LEU 11 HB2 LEU 11 5.576 -0.404 2.465 89 HB3 LEU 11 HB1 LEU 11 5.149 0.594 1.095 90 HG LEU 11 HG LEU 11 3.905 0.863 3.836 91 HD11 LEU 11 HD11 LEU 11 6.121 2.438 2.531 92 HD12 LEU 11 HD12 LEU 11 6.270 1.380 3.935 93 HD13 LEU 11 HD13 LEU 11 5.320 2.860 4.044 94 HD21 LEU 11 HD21 LEU 11 2.491 1.706 2.026 95 HD22 LEU 11 HD22 LEU 11 3.833 2.680 1.425 96 HD23 LEU 11 HD23 LEU 11 3.129 3.026 3.005 97 H SER 12 HN SER 12 4.171 -0.330 -0.820 98 HA SER 12 HA SER 12 2.070 1.515 -1.258 99 HB2 SER 12 HB2 SER 12 2.844 1.306 -3.681 100 HB3 SER 12 HB1 SER 12 4.028 1.868 -2.503 101 HG SER 12 HG SER 12 5.098 0.011 -2.642 102 H ILE 13 HN ILE 13 2.490 -1.901 -2.064 103 HA ILE 13 HA ILE 13 0.135 -2.090 -3.625 104 HB ILE 13 HB ILE 13 1.702 -4.209 -2.159 105 HG12 ILE 13 HG12 ILE 13 1.428 -3.553 -5.102 106 HG13 ILE 13 HG11 ILE 13 2.796 -3.101 -4.090 107 HG21 ILE 13 HG21 ILE 13 -0.577 -4.991 -2.294 108 HG22 ILE 13 HG22 ILE 13 0.400 -5.853 -3.485 109 HG23 ILE 13 HG23 ILE 13 -0.667 -4.545 -3.998 110 HD11 ILE 13 HD11 ILE 13 3.329 -5.445 -3.745 111 HD12 ILE 13 HD12 ILE 13 3.290 -5.048 -5.462 112 HD13 ILE 13 HD13 ILE 13 1.942 -5.916 -4.724 113 H LEU 14 HN LEU 14 0.778 -2.731 -0.181 114 HA LEU 14 HA LEU 14 -1.869 -3.441 0.475 115 HB2 LEU 14 HB2 LEU 14 0.026 -3.846 1.978 116 HB3 LEU 14 HB1 LEU 14 0.230 -2.119 2.198 117 HG LEU 14 HG LEU 14 -2.017 -2.019 3.250 118 HD11 LEU 14 HD11 LEU 14 -3.099 -4.099 3.943 119 HD12 LEU 14 HD12 LEU 14 -1.893 -5.024 3.050 120 HD13 LEU 14 HD13 LEU 14 -3.013 -3.972 2.186 121 HD21 LEU 14 HD21 LEU 14 -1.359 -3.072 5.353 122 HD22 LEU 14 HD22 LEU 14 -0.012 -2.200 4.621 123 HD23 LEU 14 HD23 LEU 14 -0.089 -3.960 4.512 124 H ARG 15 HN ARG 15 -0.195 -0.344 0.321 125 HA ARG 15 HA ARG 15 -2.248 1.303 1.250 126 HB2 ARG 15 HB2 ARG 15 0.019 2.119 0.896 127 HB3 ARG 15 HB1 ARG 15 -0.128 1.852 -0.834 128 HG2 ARG 15 HG2 ARG 15 -1.877 3.559 -0.944 129 HG3 ARG 15 HG1 ARG 15 -1.706 3.835 0.791 130 HD2 ARG 15 HD2 ARG 15 0.613 4.517 0.466 131 HD3 ARG 15 HD1 ARG 15 0.477 4.200 -1.262 132 HE ARG 15 HE ARG 15 -1.496 6.061 -0.409 133 HH11 ARG 15 HH11 ARG 15 1.918 5.782 -1.136 134 HH12 ARG 15 HH12 ARG 15 2.085 7.449 -1.588 135 HH21 ARG 15 HH21 ARG 15 -1.276 8.259 -1.016 136 HH22 ARG 15 HH22 ARG 15 0.274 8.852 -1.518 137 H HIS 16 HN HIS 16 -1.640 -0.054 -1.942 138 HA HIS 16 HA HIS 16 -3.761 1.374 -3.217 139 HB2 HIS 16 HB2 HIS 16 -2.228 -1.089 -4.058 140 HB3 HIS 16 HB1 HIS 16 -3.450 -0.315 -5.059 141 HD1 HIS 16 HD1 HIS 16 -0.725 -0.462 -6.252 142 HD2 HIS 16 HD2 HIS 16 -1.895 2.673 -3.786 143 HE1 HIS 16 HE1 HIS 16 0.793 1.455 -6.826 144 HE2 HIS 16 HE2 HIS 16 -0.081 3.391 -5.481 145 H GLN 17 HN GLN 17 -3.467 -1.798 -1.716 146 HA GLN 17 HA GLN 17 -6.060 -2.663 -2.534 147 HB2 GLN 17 HB2 GLN 17 -4.231 -3.704 -0.368 148 HB3 GLN 17 HB1 GLN 17 -5.726 -4.486 -0.865 149 HG2 GLN 17 HG2 GLN 17 -3.275 -4.041 -2.560 150 HG3 GLN 17 HG1 GLN 17 -3.856 -5.575 -1.916 151 HE21 GLN 17 HE21 GLN 17 -3.376 -4.659 -4.686 152 HE22 GLN 17 HE22 GLN 17 -4.866 -4.930 -5.524 153 H ASN 18 HN ASN 18 -4.801 -0.904 0.205 154 HA ASN 18 HA ASN 18 -7.144 -1.011 1.794 155 HB2 ASN 18 HB2 ASN 18 -5.030 -0.273 2.760 156 HB3 ASN 18 HB1 ASN 18 -4.976 1.098 1.657 157 HD21 ASN 18 HD21 ASN 18 -4.954 2.657 3.251 158 HD22 ASN 18 HD22 ASN 18 -6.312 2.971 4.270 159 H LEU 19 HN LEU 19 -6.048 1.152 -0.758 160 HA LEU 19 HA LEU 19 -8.313 2.894 -0.534 161 HB2 LEU 19 HB2 LEU 19 -6.270 2.630 -2.737 162 HB3 LEU 19 HB1 LEU 19 -7.438 3.928 -2.586 163 HG LEU 19 HG LEU 19 -5.179 3.345 -0.668 164 HD11 LEU 19 HD11 LEU 19 -5.592 5.582 -2.646 165 HD12 LEU 19 HD12 LEU 19 -4.404 4.284 -2.764 166 HD13 LEU 19 HD13 LEU 19 -4.279 5.478 -1.473 167 HD21 LEU 19 HD21 LEU 19 -7.093 4.230 0.526 168 HD22 LEU 19 HD22 LEU 19 -7.254 5.534 -0.650 169 HD23 LEU 19 HD23 LEU 19 -5.839 5.463 0.398 170 H LEU 20 HN LEU 20 -7.490 0.060 -2.401 171 HA LEU 20 HA LEU 20 -9.646 0.246 -4.242 172 HB2 LEU 20 HB2 LEU 20 -7.666 -1.177 -4.624 173 HB3 LEU 20 HB1 LEU 20 -8.153 -2.197 -3.284 174 HG LEU 20 HG LEU 20 -10.252 -2.735 -4.528 175 HD11 LEU 20 HD11 LEU 20 -10.304 -2.268 -6.940 176 HD12 LEU 20 HD12 LEU 20 -8.861 -1.269 -6.766 177 HD13 LEU 20 HD13 LEU 20 -10.362 -0.795 -5.973 178 HD21 LEU 20 HD21 LEU 20 -8.357 -4.254 -4.546 179 HD22 LEU 20 HD22 LEU 20 -7.659 -3.390 -5.916 180 HD23 LEU 20 HD23 LEU 20 -9.180 -4.264 -6.106 181 H LYS 21 HN LYS 21 -9.193 -1.372 -1.137 182 HA LYS 21 HA LYS 21 -11.625 -2.703 -0.954 183 HB2 LYS 21 HB2 LYS 21 -9.793 -3.037 0.639 184 HB3 LYS 21 HB1 LYS 21 -10.014 -1.403 1.247 185 HG2 LYS 21 HG2 LYS 21 -12.221 -1.984 2.076 186 HG3 LYS 21 HG1 LYS 21 -12.047 -3.615 1.426 187 HD2 LYS 21 HD2 LYS 21 -11.582 -3.625 3.798 188 HD3 LYS 21 HD1 LYS 21 -10.103 -3.966 2.900 189 HE2 LYS 21 HE2 LYS 21 -9.443 -1.595 3.156 190 HE3 LYS 21 HE1 LYS 21 -10.890 -1.321 4.124 191 HZ1 LYS 21 HZ1 LYS 21 -8.679 -3.185 4.797 192 HZ2 LYS 21 HZ2 LYS 21 -10.071 -2.944 5.724 193 HZ3 LYS 21 HZ3 LYS 21 -8.963 -1.682 5.521 194 H GLU 22 HN GLU 22 -13.664 -2.078 -0.616 195 HA GLU 22 HA GLU 22 -14.132 0.740 0.080 196 HB2 GLU 22 HB2 GLU 22 -14.994 -0.072 -2.135 197 HB3 GLU 22 HB1 GLU 22 -16.048 -1.175 -1.262 198 HG2 GLU 22 HG2 GLU 22 -17.221 0.659 -0.252 199 HG3 GLU 22 HG1 GLU 22 -16.088 1.816 -0.950 200 H LEU 23 HN LEU 23 -15.303 1.211 1.870 201 HA LEU 23 HA LEU 23 -15.727 -0.983 3.726 202 HB2 LEU 23 HB2 LEU 23 -16.038 1.995 4.130 203 HB3 LEU 23 HB1 LEU 23 -16.073 0.777 5.391 204 HG LEU 23 HG LEU 23 -13.676 1.417 3.671 205 HD11 LEU 23 HD11 LEU 23 -14.205 3.255 5.165 206 HD12 LEU 23 HD12 LEU 23 -12.756 2.412 5.714 207 HD13 LEU 23 HD13 LEU 23 -14.297 2.142 6.530 208 HD21 LEU 23 HD21 LEU 23 -12.457 0.030 5.291 209 HD22 LEU 23 HD22 LEU 23 -13.677 -0.895 4.415 210 HD23 LEU 23 HD23 LEU 23 -13.983 -0.381 6.075 211 H GLN 24 HN GLN 24 -17.559 -1.976 2.835 212 HA GLN 24 HA GLN 24 -19.948 -0.333 2.508 213 HB2 GLN 24 HB2 GLN 24 -19.524 -3.251 1.849 214 HB3 GLN 24 HB1 GLN 24 -20.949 -2.302 1.451 215 HG2 GLN 24 HG2 GLN 24 -19.425 -0.802 0.116 216 HG3 GLN 24 HG1 GLN 24 -18.173 -2.021 0.341 217 HE21 GLN 24 HE21 GLN 24 -19.359 -1.100 -2.105 218 HE22 GLN 24 HE22 GLN 24 -20.075 -2.489 -2.860 219 H ASP 25 HN ASP 25 -21.875 -0.726 3.594 220 HA ASP 25 HA ASP 25 -21.623 -2.409 6.000 221 HB2 ASP 25 HB2 ASP 25 -23.184 0.173 5.708 222 HB3 ASP 25 HB1 ASP 25 -23.128 -0.832 7.147 Start of MODEL 12 1 H1 PHE 1 HT1 PHE 1 20.620 8.286 -1.598 2 H2 PHE 1 HT2 PHE 1 19.291 7.274 -1.861 3 H3 PHE 1 HT3 PHE 1 20.826 6.800 -2.376 4 HA PHE 1 HA PHE 1 21.604 6.643 -0.141 5 HB2 PHE 1 HB2 PHE 1 19.833 6.799 1.697 6 HB3 PHE 1 HB1 PHE 1 20.386 8.319 1.008 7 HD1 PHE 1 HD1 PHE 1 17.627 5.832 0.818 8 HD2 PHE 1 HD2 PHE 1 18.869 9.844 0.158 9 HE1 PHE 1 HE1 PHE 1 15.298 6.475 0.366 10 HE2 PHE 1 HE2 PHE 1 16.544 10.494 -0.300 11 HZ PHE 1 HZ PHE 1 14.752 8.809 -0.196 12 H GLU 2 HN GLU 2 21.514 4.658 0.897 13 HA GLU 2 HA GLU 2 20.059 2.625 -0.554 14 HB2 GLU 2 HB2 GLU 2 22.027 2.437 1.734 15 HB3 GLU 2 HB1 GLU 2 21.345 1.054 0.894 16 HG2 GLU 2 HG2 GLU 2 23.108 3.181 -0.302 17 HG3 GLU 2 HG1 GLU 2 23.567 1.522 0.083 18 H THR 3 HN THR 3 18.155 1.866 0.024 19 HA THR 3 HA THR 3 17.398 1.782 2.843 20 HB THR 3 HB THR 3 15.060 2.591 2.042 21 HG1 THR 3 HG1 THR 3 16.616 3.035 -0.162 22 HG21 THR 3 HG21 THR 3 17.386 4.482 2.373 23 HG22 THR 3 HG22 THR 3 16.369 3.822 3.654 24 HG23 THR 3 HG23 THR 3 15.690 4.948 2.481 25 H LEU 4 HN LEU 4 15.862 0.171 3.322 26 HA LEU 4 HA LEU 4 15.808 -1.979 1.402 27 HB2 LEU 4 HB2 LEU 4 16.192 -2.397 3.801 28 HB3 LEU 4 HB1 LEU 4 14.582 -1.803 4.153 29 HG LEU 4 HG LEU 4 13.611 -3.673 2.885 30 HD11 LEU 4 HD11 LEU 4 15.409 -4.010 1.278 31 HD12 LEU 4 HD12 LEU 4 15.045 -5.509 2.132 32 HD13 LEU 4 HD13 LEU 4 16.472 -4.570 2.567 33 HD21 LEU 4 HD21 LEU 4 15.618 -4.555 4.953 34 HD22 LEU 4 HD22 LEU 4 14.177 -5.441 4.452 35 HD23 LEU 4 HD23 LEU 4 14.017 -3.897 5.290 36 H ARG 5 HN ARG 5 14.585 -1.050 -0.223 37 HA ARG 5 HA ARG 5 11.883 -0.162 0.315 38 HB2 ARG 5 HB2 ARG 5 13.382 -0.405 -2.293 39 HB3 ARG 5 HB1 ARG 5 11.842 0.412 -2.066 40 HG2 ARG 5 HG2 ARG 5 12.888 2.035 -0.602 41 HG3 ARG 5 HG1 ARG 5 14.429 1.190 -0.741 42 HD2 ARG 5 HD2 ARG 5 14.441 1.647 -3.156 43 HD3 ARG 5 HD1 ARG 5 12.924 2.528 -2.982 44 HE ARG 5 HE ARG 5 14.832 3.591 -1.201 45 HH11 ARG 5 HH11 ARG 5 14.135 3.448 -4.633 46 HH12 ARG 5 HH12 ARG 5 14.923 4.954 -4.984 47 HH21 ARG 5 HH21 ARG 5 15.858 5.568 -1.662 48 HH22 ARG 5 HH22 ARG 5 15.897 6.166 -3.288 49 H GLY 6 HN GLY 6 13.168 -3.110 0.064 50 HA2 GLY 6 HA2 GLY 6 11.527 -4.506 -1.734 51 HA3 GLY 6 HA1 GLY 6 12.273 -5.198 -0.302 52 H ASP 7 HN ASP 7 11.053 -3.810 1.717 53 HA ASP 7 HA ASP 7 8.440 -4.985 1.698 54 HB2 ASP 7 HB2 ASP 7 9.840 -3.322 3.794 55 HB3 ASP 7 HB1 ASP 7 8.251 -4.049 4.009 56 H GLU 8 HN GLU 8 9.761 -1.903 1.006 57 HA GLU 8 HA GLU 8 7.528 -0.262 1.425 58 HB2 GLU 8 HB2 GLU 8 9.737 0.655 0.943 59 HB3 GLU 8 HB1 GLU 8 9.708 -0.064 -0.661 60 HG2 GLU 8 HG2 GLU 8 7.714 1.350 -1.163 61 HG3 GLU 8 HG1 GLU 8 7.979 2.162 0.378 62 H ARG 9 HN ARG 9 8.448 -2.397 -1.202 63 HA ARG 9 HA ARG 9 6.463 -1.731 -3.063 64 HB2 ARG 9 HB2 ARG 9 7.969 -4.268 -2.488 65 HB3 ARG 9 HB1 ARG 9 6.736 -4.211 -3.738 66 HG2 ARG 9 HG2 ARG 9 9.123 -2.382 -3.652 67 HG3 ARG 9 HG1 ARG 9 9.058 -3.891 -4.564 68 HD2 ARG 9 HD2 ARG 9 7.263 -1.494 -4.923 69 HD3 ARG 9 HD1 ARG 9 8.543 -2.016 -6.016 70 HE ARG 9 HE ARG 9 7.117 -4.147 -6.186 71 HH11 ARG 9 HH11 ARG 9 5.813 -0.930 -5.727 72 HH12 ARG 9 HH12 ARG 9 4.304 -1.298 -6.499 73 HH21 ARG 9 HH21 ARG 9 5.149 -4.632 -7.203 74 HH22 ARG 9 HH22 ARG 9 3.930 -3.404 -7.354 75 H ILE 10 HN ILE 10 6.418 -3.828 -0.264 76 HA ILE 10 HA ILE 10 3.800 -4.855 -0.696 77 HB ILE 10 HB ILE 10 5.401 -4.641 1.865 78 HG12 ILE 10 HG12 ILE 10 4.914 -7.007 0.039 79 HG13 ILE 10 HG11 ILE 10 6.403 -6.072 0.092 80 HG21 ILE 10 HG21 ILE 10 3.015 -4.801 2.343 81 HG22 ILE 10 HG22 ILE 10 3.841 -6.298 2.776 82 HG23 ILE 10 HG23 ILE 10 2.888 -6.215 1.295 83 HD11 ILE 10 HD11 ILE 10 6.655 -8.115 1.336 84 HD12 ILE 10 HD12 ILE 10 5.248 -7.723 2.324 85 HD13 ILE 10 HD13 ILE 10 6.707 -6.738 2.438 86 H LEU 11 HN LEU 11 5.134 -2.179 1.189 87 HA LEU 11 HA LEU 11 2.791 -1.314 2.427 88 HB2 LEU 11 HB2 LEU 11 5.118 -0.549 2.937 89 HB3 LEU 11 HB1 LEU 11 5.084 0.408 1.474 90 HG LEU 11 HG LEU 11 3.041 0.857 3.634 91 HD11 LEU 11 HD11 LEU 11 5.790 2.088 3.465 92 HD12 LEU 11 HD12 LEU 11 5.225 0.978 4.713 93 HD13 LEU 11 HD13 LEU 11 4.505 2.581 4.567 94 HD21 LEU 11 HD21 LEU 11 3.032 3.124 2.704 95 HD22 LEU 11 HD22 LEU 11 2.646 1.920 1.474 96 HD23 LEU 11 HD23 LEU 11 4.254 2.645 1.525 97 H SER 12 HN SER 12 4.161 -0.432 -0.737 98 HA SER 12 HA SER 12 2.187 1.524 -1.285 99 HB2 SER 12 HB2 SER 12 3.078 1.402 -3.614 100 HB3 SER 12 HB1 SER 12 4.311 1.667 -2.386 101 HG SER 12 HG SER 12 3.737 -0.682 -3.844 102 H ILE 13 HN ILE 13 2.502 -1.897 -2.158 103 HA ILE 13 HA ILE 13 0.153 -1.942 -3.763 104 HB ILE 13 HB ILE 13 1.568 -4.211 -2.350 105 HG12 ILE 13 HG12 ILE 13 1.591 -3.338 -5.249 106 HG13 ILE 13 HG11 ILE 13 2.892 -3.058 -4.098 107 HG21 ILE 13 HG21 ILE 13 -0.750 -4.809 -2.751 108 HG22 ILE 13 HG22 ILE 13 0.301 -5.691 -3.862 109 HG23 ILE 13 HG23 ILE 13 -0.613 -4.296 -4.434 110 HD11 ILE 13 HD11 ILE 13 1.919 -5.738 -5.058 111 HD12 ILE 13 HD12 ILE 13 3.207 -5.475 -3.883 112 HD13 ILE 13 HD13 ILE 13 3.406 -4.925 -5.547 113 H LEU 14 HN LEU 14 0.815 -2.673 -0.371 114 HA LEU 14 HA LEU 14 -1.794 -3.411 0.362 115 HB2 LEU 14 HB2 LEU 14 0.174 -3.807 1.769 116 HB3 LEU 14 HB1 LEU 14 0.364 -2.081 2.001 117 HG LEU 14 HG LEU 14 -1.826 -2.033 3.169 118 HD11 LEU 14 HD11 LEU 14 -1.651 -5.031 2.905 119 HD12 LEU 14 HD12 LEU 14 -2.858 -3.980 2.163 120 HD13 LEU 14 HD13 LEU 14 -2.800 -4.157 3.917 121 HD21 LEU 14 HD21 LEU 14 -1.018 -3.082 5.222 122 HD22 LEU 14 HD22 LEU 14 0.263 -2.179 4.414 123 HD23 LEU 14 HD23 LEU 14 0.219 -3.938 4.302 124 H ARG 15 HN ARG 15 -0.187 -0.272 0.153 125 HA ARG 15 HA ARG 15 -2.236 1.328 1.167 126 HB2 ARG 15 HB2 ARG 15 -0.018 2.214 0.680 127 HB3 ARG 15 HB1 ARG 15 -0.259 1.930 -1.039 128 HG2 ARG 15 HG2 ARG 15 -2.122 3.552 -1.005 129 HG3 ARG 15 HG1 ARG 15 -1.760 3.888 0.688 130 HD2 ARG 15 HD2 ARG 15 0.514 4.566 0.040 131 HD3 ARG 15 HD1 ARG 15 0.100 4.285 -1.648 132 HE ARG 15 HE ARG 15 -1.718 6.106 -0.427 133 HH11 ARG 15 HH11 ARG 15 1.488 5.843 -1.788 134 HH12 ARG 15 HH12 ARG 15 1.597 7.525 -2.199 135 HH21 ARG 15 HH21 ARG 15 -1.584 8.329 -0.955 136 HH22 ARG 15 HH22 ARG 15 -0.151 8.941 -1.715 137 H HIS 16 HN HIS 16 -1.731 -0.056 -2.018 138 HA HIS 16 HA HIS 16 -3.937 1.263 -3.247 139 HB2 HIS 16 HB2 HIS 16 -2.390 -1.209 -4.028 140 HB3 HIS 16 HB1 HIS 16 -3.690 -0.541 -5.003 141 HD1 HIS 16 HD1 HIS 16 -1.458 -0.481 -6.679 142 HD2 HIS 16 HD2 HIS 16 -1.748 2.371 -3.673 143 HE1 HIS 16 HE1 HIS 16 0.076 1.389 -7.370 144 HE2 HIS 16 HE2 HIS 16 0.029 3.003 -5.439 145 H GLN 17 HN GLN 17 -3.544 -1.683 -1.426 146 HA GLN 17 HA GLN 17 -6.151 -2.715 -1.996 147 HB2 GLN 17 HB2 GLN 17 -4.283 -3.353 0.299 148 HB3 GLN 17 HB1 GLN 17 -5.725 -4.263 -0.124 149 HG2 GLN 17 HG2 GLN 17 -3.188 -4.004 -1.718 150 HG3 GLN 17 HG1 GLN 17 -3.849 -5.451 -0.961 151 HE21 GLN 17 HE21 GLN 17 -3.136 -4.875 -3.753 152 HE22 GLN 17 HE22 GLN 17 -4.562 -5.185 -4.677 153 H ASN 18 HN ASN 18 -4.740 -0.655 0.465 154 HA ASN 18 HA ASN 18 -7.000 -0.552 2.164 155 HB2 ASN 18 HB2 ASN 18 -4.822 0.103 2.997 156 HB3 ASN 18 HB1 ASN 18 -4.702 1.378 1.793 157 HD21 ASN 18 HD21 ASN 18 -5.546 3.345 2.234 158 HD22 ASN 18 HD22 ASN 18 -6.396 3.727 3.685 159 H LEU 19 HN LEU 19 -6.065 1.228 -0.692 160 HA LEU 19 HA LEU 19 -8.262 3.081 -0.507 161 HB2 LEU 19 HB2 LEU 19 -6.367 2.441 -2.765 162 HB3 LEU 19 HB1 LEU 19 -7.570 3.714 -2.819 163 HG LEU 19 HG LEU 19 -5.266 3.597 -0.870 164 HD11 LEU 19 HD11 LEU 19 -4.353 5.456 -2.177 165 HD12 LEU 19 HD12 LEU 19 -5.669 5.280 -3.338 166 HD13 LEU 19 HD13 LEU 19 -4.489 3.985 -3.139 167 HD21 LEU 19 HD21 LEU 19 -7.321 5.737 -1.417 168 HD22 LEU 19 HD22 LEU 19 -5.917 5.916 -0.367 169 HD23 LEU 19 HD23 LEU 19 -7.186 4.766 0.049 170 H LEU 20 HN LEU 20 -7.683 -0.045 -1.894 171 HA LEU 20 HA LEU 20 -9.946 0.008 -3.664 172 HB2 LEU 20 HB2 LEU 20 -7.892 -1.346 -4.071 173 HB3 LEU 20 HB1 LEU 20 -8.319 -2.344 -2.697 174 HG LEU 20 HG LEU 20 -10.382 -3.046 -3.866 175 HD11 LEU 20 HD11 LEU 20 -10.714 -1.086 -5.268 176 HD12 LEU 20 HD12 LEU 20 -10.636 -2.549 -6.250 177 HD13 LEU 20 HD13 LEU 20 -9.247 -1.464 -6.170 178 HD21 LEU 20 HD21 LEU 20 -9.287 -4.472 -5.517 179 HD22 LEU 20 HD22 LEU 20 -8.355 -4.394 -4.022 180 HD23 LEU 20 HD23 LEU 20 -7.839 -3.469 -5.433 181 H LYS 21 HN LYS 21 -9.588 -0.299 -0.370 182 HA LYS 21 HA LYS 21 -11.688 -2.174 0.155 183 HB2 LYS 21 HB2 LYS 21 -9.835 -1.673 1.751 184 HB3 LYS 21 HB1 LYS 21 -10.507 -0.065 1.978 185 HG2 LYS 21 HG2 LYS 21 -12.570 -1.068 2.850 186 HG3 LYS 21 HG1 LYS 21 -11.851 -2.670 2.664 187 HD2 LYS 21 HD2 LYS 21 -9.991 -1.900 4.173 188 HD3 LYS 21 HD1 LYS 21 -10.942 -0.445 4.483 189 HE2 LYS 21 HE2 LYS 21 -11.310 -2.042 6.255 190 HE3 LYS 21 HE1 LYS 21 -12.787 -1.869 5.310 191 HZ1 LYS 21 HZ1 LYS 21 -12.220 -3.915 4.136 192 HZ2 LYS 21 HZ2 LYS 21 -12.340 -4.180 5.799 193 HZ3 LYS 21 HZ3 LYS 21 -10.819 -4.082 5.071 194 H GLU 22 HN GLU 22 -13.730 -1.717 -0.403 195 HA GLU 22 HA GLU 22 -14.584 1.050 -0.631 196 HB2 GLU 22 HB2 GLU 22 -16.053 -1.504 -1.314 197 HB3 GLU 22 HB1 GLU 22 -16.589 0.124 -1.707 198 HG2 GLU 22 HG2 GLU 22 -14.569 0.421 -3.088 199 HG3 GLU 22 HG1 GLU 22 -14.123 -1.250 -2.747 200 H LEU 23 HN LEU 23 -14.096 0.444 1.944 201 HA LEU 23 HA LEU 23 -16.765 0.632 3.123 202 HB2 LEU 23 HB2 LEU 23 -16.042 -1.686 3.460 203 HB3 LEU 23 HB1 LEU 23 -14.544 -1.124 4.176 204 HG LEU 23 HG LEU 23 -15.865 -0.096 6.021 205 HD11 LEU 23 HD11 LEU 23 -18.195 -0.803 6.316 206 HD12 LEU 23 HD12 LEU 23 -18.161 -1.545 4.717 207 HD13 LEU 23 HD13 LEU 23 -17.979 0.201 4.883 208 HD21 LEU 23 HD21 LEU 23 -16.282 -3.055 5.618 209 HD22 LEU 23 HD22 LEU 23 -16.359 -2.197 7.157 210 HD23 LEU 23 HD23 LEU 23 -14.835 -2.292 6.276 211 H GLN 24 HN GLN 24 -16.530 2.792 3.464 212 HA GLN 24 HA GLN 24 -14.291 3.625 5.189 213 HB2 GLN 24 HB2 GLN 24 -15.969 5.292 3.312 214 HB3 GLN 24 HB1 GLN 24 -14.680 5.903 4.335 215 HG2 GLN 24 HG2 GLN 24 -13.049 4.612 3.115 216 HG3 GLN 24 HG1 GLN 24 -14.320 3.884 2.132 217 HE21 GLN 24 HE21 GLN 24 -15.814 6.405 1.989 218 HE22 GLN 24 HE22 GLN 24 -14.959 7.390 0.856 219 H ASP 25 HN ASP 25 -15.022 5.778 6.370 220 HA ASP 25 HA ASP 25 -17.468 5.083 7.826 221 HB2 ASP 25 HB2 ASP 25 -15.219 6.950 8.624 222 HB3 ASP 25 HB1 ASP 25 -16.611 6.537 9.616 Start of MODEL 13 1 H1 PHE 1 HT1 PHE 1 20.925 6.925 -2.046 2 H2 PHE 1 HT2 PHE 1 21.550 6.595 -3.580 3 H3 PHE 1 HT3 PHE 1 22.419 7.566 -2.504 4 HA PHE 1 HA PHE 1 23.342 5.340 -2.661 5 HB2 PHE 1 HB2 PHE 1 23.486 4.902 -0.261 6 HB3 PHE 1 HB1 PHE 1 23.566 6.630 -0.558 7 HD1 PHE 1 HD1 PHE 1 21.718 3.936 1.000 8 HD2 PHE 1 HD2 PHE 1 21.657 8.073 0.016 9 HE1 PHE 1 HE1 PHE 1 19.927 4.296 2.645 10 HE2 PHE 1 HE2 PHE 1 19.859 8.438 1.651 11 HZ PHE 1 HZ PHE 1 18.992 6.550 2.971 12 H GLU 2 HN GLU 2 22.923 3.153 -1.303 13 HA GLU 2 HA GLU 2 20.797 1.855 -2.662 14 HB2 GLU 2 HB2 GLU 2 22.645 0.954 -0.456 15 HB3 GLU 2 HB1 GLU 2 21.449 -0.105 -1.187 16 HG2 GLU 2 HG2 GLU 2 23.775 1.213 -2.573 17 HG3 GLU 2 HG1 GLU 2 23.603 -0.493 -2.171 18 H THR 3 HN THR 3 18.995 3.131 -1.962 19 HA THR 3 HA THR 3 18.064 2.894 0.740 20 HB THR 3 HB THR 3 15.902 3.774 -0.248 21 HG1 THR 3 HG1 THR 3 17.210 3.164 -2.539 22 HG21 THR 3 HG21 THR 3 17.572 5.243 0.770 23 HG22 THR 3 HG22 THR 3 16.793 6.026 -0.605 24 HG23 THR 3 HG23 THR 3 18.418 5.359 -0.773 25 H LEU 4 HN LEU 4 17.092 1.175 1.603 26 HA LEU 4 HA LEU 4 16.471 -1.095 -0.052 27 HB2 LEU 4 HB2 LEU 4 17.495 -1.395 2.149 28 HB3 LEU 4 HB1 LEU 4 16.104 -0.648 2.910 29 HG LEU 4 HG LEU 4 14.694 -2.522 2.124 30 HD11 LEU 4 HD11 LEU 4 15.947 -3.187 0.164 31 HD12 LEU 4 HD12 LEU 4 15.790 -4.549 1.272 32 HD13 LEU 4 HD13 LEU 4 17.314 -3.668 1.171 33 HD21 LEU 4 HD21 LEU 4 17.119 -3.292 3.739 34 HD22 LEU 4 HD22 LEU 4 15.613 -4.206 3.661 35 HD23 LEU 4 HD23 LEU 4 15.625 -2.585 4.355 36 H ARG 5 HN ARG 5 14.785 -0.510 -1.338 37 HA ARG 5 HA ARG 5 12.257 0.188 -0.006 38 HB2 ARG 5 HB2 ARG 5 13.174 0.743 -2.824 39 HB3 ARG 5 HB1 ARG 5 11.577 1.126 -2.200 40 HG2 ARG 5 HG2 ARG 5 12.553 2.651 -0.580 41 HG3 ARG 5 HG1 ARG 5 14.170 2.244 -1.159 42 HD2 ARG 5 HD2 ARG 5 11.995 3.468 -2.846 43 HD3 ARG 5 HD1 ARG 5 13.294 4.374 -2.073 44 HE ARG 5 HE ARG 5 14.432 2.338 -3.638 45 HH11 ARG 5 HH11 ARG 5 12.609 5.298 -4.028 46 HH12 ARG 5 HH12 ARG 5 13.337 5.698 -5.552 47 HH21 ARG 5 HH21 ARG 5 15.395 2.865 -5.649 48 HH22 ARG 5 HH22 ARG 5 14.920 4.317 -6.470 49 H GLY 6 HN GLY 6 13.223 -2.480 -0.229 50 HA2 GLY 6 HA2 GLY 6 11.809 -3.807 -2.351 51 HA3 GLY 6 HA1 GLY 6 12.572 -4.579 -0.967 52 H ASP 7 HN ASP 7 11.332 -3.679 1.181 53 HA ASP 7 HA ASP 7 8.760 -4.887 1.025 54 HB2 ASP 7 HB2 ASP 7 10.213 -3.471 3.250 55 HB3 ASP 7 HB1 ASP 7 8.562 -4.048 3.441 56 H GLU 8 HN GLU 8 9.904 -1.768 0.468 57 HA GLU 8 HA GLU 8 7.704 -0.160 1.069 58 HB2 GLU 8 HB2 GLU 8 9.963 0.594 0.251 59 HB3 GLU 8 HB1 GLU 8 9.487 0.082 -1.361 60 HG2 GLU 8 HG2 GLU 8 9.135 2.395 -1.298 61 HG3 GLU 8 HG1 GLU 8 7.535 1.672 -1.140 62 H ARG 9 HN ARG 9 8.276 -2.456 -1.505 63 HA ARG 9 HA ARG 9 6.104 -1.769 -3.174 64 HB2 ARG 9 HB2 ARG 9 7.669 -4.300 -2.748 65 HB3 ARG 9 HB1 ARG 9 6.296 -4.254 -3.846 66 HG2 ARG 9 HG2 ARG 9 8.592 -2.338 -4.075 67 HG3 ARG 9 HG1 ARG 9 8.589 -3.916 -4.862 68 HD2 ARG 9 HD2 ARG 9 6.472 -1.798 -5.238 69 HD3 ARG 9 HD1 ARG 9 7.817 -2.078 -6.344 70 HE ARG 9 HE ARG 9 6.711 -4.504 -6.244 71 HH11 ARG 9 HH11 ARG 9 5.214 -1.359 -6.662 72 HH12 ARG 9 HH12 ARG 9 3.920 -1.976 -7.640 73 HH21 ARG 9 HH21 ARG 9 5.019 -5.300 -7.521 74 HH22 ARG 9 HH22 ARG 9 3.809 -4.217 -8.125 75 H ILE 10 HN ILE 10 6.402 -3.913 -0.408 76 HA ILE 10 HA ILE 10 3.779 -4.951 -0.469 77 HB ILE 10 HB ILE 10 5.688 -4.566 1.848 78 HG12 ILE 10 HG12 ILE 10 4.894 -7.066 0.339 79 HG13 ILE 10 HG11 ILE 10 6.376 -6.163 0.056 80 HG21 ILE 10 HG21 ILE 10 4.258 -6.119 3.108 81 HG22 ILE 10 HG22 ILE 10 3.085 -6.092 1.791 82 HG23 ILE 10 HG23 ILE 10 3.416 -4.622 2.708 83 HD11 ILE 10 HD11 ILE 10 6.790 -8.110 1.429 84 HD12 ILE 10 HD12 ILE 10 5.601 -7.554 2.607 85 HD13 ILE 10 HD13 ILE 10 7.084 -6.636 2.351 86 H LEU 11 HN LEU 11 5.219 -2.128 1.063 87 HA LEU 11 HA LEU 11 2.951 -1.277 2.492 88 HB2 LEU 11 HB2 LEU 11 5.361 -0.517 2.765 89 HB3 LEU 11 HB1 LEU 11 5.114 0.497 1.361 90 HG LEU 11 HG LEU 11 3.367 0.768 3.799 91 HD11 LEU 11 HD11 LEU 11 5.695 0.995 4.519 92 HD12 LEU 11 HD12 LEU 11 4.855 2.545 4.560 93 HD13 LEU 11 HD13 LEU 11 5.972 2.182 3.245 94 HD21 LEU 11 HD21 LEU 11 4.142 2.682 1.597 95 HD22 LEU 11 HD22 LEU 11 3.059 3.036 2.942 96 HD23 LEU 11 HD23 LEU 11 2.600 1.838 1.732 97 H SER 12 HN SER 12 4.164 -0.372 -0.725 98 HA SER 12 HA SER 12 2.137 1.559 -1.175 99 HB2 SER 12 HB2 SER 12 2.993 1.435 -3.560 100 HB3 SER 12 HB1 SER 12 4.182 1.852 -2.327 101 HG SER 12 HG SER 12 5.141 -0.049 -2.556 102 H ILE 13 HN ILE 13 2.516 -1.829 -2.152 103 HA ILE 13 HA ILE 13 0.158 -1.882 -3.726 104 HB ILE 13 HB ILE 13 1.632 -4.141 -2.366 105 HG12 ILE 13 HG12 ILE 13 1.510 -3.303 -5.273 106 HG13 ILE 13 HG11 ILE 13 2.836 -2.930 -4.179 107 HG21 ILE 13 HG21 ILE 13 0.327 -5.643 -3.829 108 HG22 ILE 13 HG22 ILE 13 -0.643 -4.264 -4.349 109 HG23 ILE 13 HG23 ILE 13 -0.687 -4.788 -2.666 110 HD11 ILE 13 HD11 ILE 13 1.963 -5.686 -5.000 111 HD12 ILE 13 HD12 ILE 13 3.307 -5.301 -3.927 112 HD13 ILE 13 HD13 ILE 13 3.363 -4.813 -5.621 113 H LEU 14 HN LEU 14 0.825 -2.657 -0.332 114 HA LEU 14 HA LEU 14 -1.794 -3.409 0.356 115 HB2 LEU 14 HB2 LEU 14 0.144 -3.809 1.813 116 HB3 LEU 14 HB1 LEU 14 0.303 -2.083 2.076 117 HG LEU 14 HG LEU 14 -1.920 -2.068 3.166 118 HD11 LEU 14 HD11 LEU 14 -2.922 -4.219 3.821 119 HD12 LEU 14 HD12 LEU 14 -1.738 -5.057 2.818 120 HD13 LEU 14 HD13 LEU 14 -2.920 -3.981 2.075 121 HD21 LEU 14 HD21 LEU 14 -1.209 -3.195 5.224 122 HD22 LEU 14 HD22 LEU 14 0.094 -2.243 4.513 123 HD23 LEU 14 HD23 LEU 14 0.082 -3.997 4.331 124 H ARG 15 HN ARG 15 -0.211 -0.270 0.140 125 HA ARG 15 HA ARG 15 -2.302 1.282 1.180 126 HB2 ARG 15 HB2 ARG 15 -0.034 2.151 0.730 127 HB3 ARG 15 HB1 ARG 15 -0.336 2.018 -0.996 128 HG2 ARG 15 HG2 ARG 15 -2.149 3.653 -0.798 129 HG3 ARG 15 HG1 ARG 15 -1.816 3.798 0.930 130 HD2 ARG 15 HD2 ARG 15 0.477 4.537 0.397 131 HD3 ARG 15 HD1 ARG 15 0.083 4.453 -1.320 132 HE ARG 15 HE ARG 15 -1.674 6.153 0.228 133 HH11 ARG 15 HH11 ARG 15 1.272 5.954 -1.654 134 HH12 ARG 15 HH12 ARG 15 1.321 7.652 -2.003 135 HH21 ARG 15 HH21 ARG 15 -1.612 8.405 -0.229 136 HH22 ARG 15 HH22 ARG 15 -0.310 9.044 -1.185 137 H HIS 16 HN HIS 16 -1.667 0.039 -2.051 138 HA HIS 16 HA HIS 16 -3.928 1.270 -3.274 139 HB2 HIS 16 HB2 HIS 16 -2.220 -1.083 -4.086 140 HB3 HIS 16 HB1 HIS 16 -3.575 -0.518 -5.052 141 HD1 HIS 16 HD1 HIS 16 -1.451 -0.235 -6.782 142 HD2 HIS 16 HD2 HIS 16 -1.792 2.499 -3.670 143 HE1 HIS 16 HE1 HIS 16 -0.051 1.738 -7.463 144 HE2 HIS 16 HE2 HIS 16 -0.144 3.305 -5.493 145 H GLN 17 HN GLN 17 -3.428 -1.657 -1.475 146 HA GLN 17 HA GLN 17 -5.954 -2.833 -2.134 147 HB2 GLN 17 HB2 GLN 17 -4.065 -3.391 0.164 148 HB3 GLN 17 HB1 GLN 17 -5.487 -4.347 -0.215 149 HG2 GLN 17 HG2 GLN 17 -3.011 -4.026 -1.897 150 HG3 GLN 17 HG1 GLN 17 -3.556 -5.473 -1.051 151 HE21 GLN 17 HE21 GLN 17 -3.922 -3.483 -3.844 152 HE22 GLN 17 HE22 GLN 17 -4.999 -4.526 -4.707 153 H ASN 18 HN ASN 18 -4.711 -0.774 0.431 154 HA ASN 18 HA ASN 18 -7.031 -0.864 2.058 155 HB2 ASN 18 HB2 ASN 18 -4.832 -0.115 2.909 156 HB3 ASN 18 HB1 ASN 18 -4.922 1.303 1.868 157 HD21 ASN 18 HD21 ASN 18 -4.862 2.778 3.535 158 HD22 ASN 18 HD22 ASN 18 -6.167 2.973 4.656 159 H LEU 19 HN LEU 19 -5.966 1.239 -0.546 160 HA LEU 19 HA LEU 19 -8.293 2.942 -0.381 161 HB2 LEU 19 HB2 LEU 19 -6.099 2.764 -2.446 162 HB3 LEU 19 HB1 LEU 19 -7.338 4.001 -2.404 163 HG LEU 19 HG LEU 19 -5.280 3.571 -0.236 164 HD11 LEU 19 HD11 LEU 19 -5.389 5.631 -2.436 165 HD12 LEU 19 HD12 LEU 19 -4.224 4.312 -2.303 166 HD13 LEU 19 HD13 LEU 19 -4.234 5.607 -1.105 167 HD21 LEU 19 HD21 LEU 19 -7.309 5.752 -0.703 168 HD22 LEU 19 HD22 LEU 19 -6.035 5.797 0.516 169 HD23 LEU 19 HD23 LEU 19 -7.304 4.577 0.614 170 H LEU 20 HN LEU 20 -8.434 -0.013 -1.001 171 HA LEU 20 HA LEU 20 -10.196 0.215 -3.333 172 HB2 LEU 20 HB2 LEU 20 -8.118 -0.756 -4.132 173 HB3 LEU 20 HB1 LEU 20 -8.135 -1.934 -2.836 174 HG LEU 20 HG LEU 20 -10.247 -2.869 -3.826 175 HD11 LEU 20 HD11 LEU 20 -10.935 -0.921 -5.110 176 HD12 LEU 20 HD12 LEU 20 -10.740 -2.325 -6.158 177 HD13 LEU 20 HD13 LEU 20 -9.502 -1.069 -6.125 178 HD21 LEU 20 HD21 LEU 20 -9.085 -4.089 -5.579 179 HD22 LEU 20 HD22 LEU 20 -8.055 -3.900 -4.161 180 HD23 LEU 20 HD23 LEU 20 -7.798 -2.886 -5.581 181 H LYS 21 HN LYS 21 -9.092 -1.861 -0.695 182 HA LYS 21 HA LYS 21 -11.309 -3.545 -0.540 183 HB2 LYS 21 HB2 LYS 21 -9.080 -3.884 0.539 184 HB3 LYS 21 HB1 LYS 21 -9.518 -2.675 1.731 185 HG2 LYS 21 HG2 LYS 21 -11.382 -4.070 2.461 186 HG3 LYS 21 HG1 LYS 21 -10.930 -5.289 1.270 187 HD2 LYS 21 HD2 LYS 21 -9.074 -4.332 3.440 188 HD3 LYS 21 HD1 LYS 21 -10.151 -5.711 3.637 189 HE2 LYS 21 HE2 LYS 21 -8.129 -6.686 3.018 190 HE3 LYS 21 HE1 LYS 21 -9.030 -6.630 1.507 191 HZ1 LYS 21 HZ1 LYS 21 -6.668 -5.922 1.349 192 HZ2 LYS 21 HZ2 LYS 21 -7.039 -4.579 2.301 193 HZ3 LYS 21 HZ3 LYS 21 -7.765 -4.773 0.786 194 H GLU 22 HN GLU 22 -10.641 -0.485 1.125 195 HA GLU 22 HA GLU 22 -13.491 -0.160 1.588 196 HB2 GLU 22 HB2 GLU 22 -12.637 -1.237 3.634 197 HB3 GLU 22 HB1 GLU 22 -11.454 0.050 3.813 198 HG2 GLU 22 HG2 GLU 22 -13.311 1.667 4.020 199 HG3 GLU 22 HG1 GLU 22 -14.447 0.321 3.959 200 H LEU 23 HN LEU 23 -13.750 1.663 0.421 201 HA LEU 23 HA LEU 23 -12.252 4.012 1.296 202 HB2 LEU 23 HB2 LEU 23 -11.125 3.103 -0.730 203 HB3 LEU 23 HB1 LEU 23 -12.624 3.294 -1.615 204 HG LEU 23 HG LEU 23 -12.510 5.735 -1.270 205 HD11 LEU 23 HD11 LEU 23 -11.268 5.790 0.814 206 HD12 LEU 23 HD12 LEU 23 -10.433 6.732 -0.421 207 HD13 LEU 23 HD13 LEU 23 -9.847 5.125 0.010 208 HD21 LEU 23 HD21 LEU 23 -11.596 4.769 -3.300 209 HD22 LEU 23 HD22 LEU 23 -10.046 4.507 -2.499 210 HD23 LEU 23 HD23 LEU 23 -10.624 6.149 -2.783 211 H GLN 24 HN GLN 24 -14.425 4.069 2.365 212 HA GLN 24 HA GLN 24 -16.403 5.323 0.574 213 HB2 GLN 24 HB2 GLN 24 -16.879 3.833 3.167 214 HB3 GLN 24 HB1 GLN 24 -18.123 4.621 2.210 215 HG2 GLN 24 HG2 GLN 24 -17.750 3.087 0.385 216 HG3 GLN 24 HG1 GLN 24 -16.397 2.353 1.241 217 HE21 GLN 24 HE21 GLN 24 -17.720 2.392 3.823 218 HE22 GLN 24 HE22 GLN 24 -18.929 1.160 3.769 219 H ASP 25 HN ASP 25 -16.706 7.433 0.909 220 HA ASP 25 HA ASP 25 -15.331 8.837 2.948 221 HB2 ASP 25 HB2 ASP 25 -17.490 9.740 1.032 222 HB3 ASP 25 HB1 ASP 25 -16.662 10.821 2.146 Start of MODEL 14 1 H1 PHE 1 HT1 PHE 1 18.065 11.295 -4.824 2 H2 PHE 1 HT2 PHE 1 18.330 10.355 -3.446 3 H3 PHE 1 HT3 PHE 1 16.810 11.033 -3.723 4 HA PHE 1 HA PHE 1 16.513 9.685 -5.674 5 HB2 PHE 1 HB2 PHE 1 18.112 7.888 -6.183 6 HB3 PHE 1 HB1 PHE 1 18.882 9.463 -6.302 7 HD1 PHE 1 HD1 PHE 1 18.694 6.337 -4.412 8 HD2 PHE 1 HD2 PHE 1 20.611 10.118 -4.760 9 HE1 PHE 1 HE1 PHE 1 20.472 5.569 -2.899 10 HE2 PHE 1 HE2 PHE 1 22.393 9.359 -3.248 11 HZ PHE 1 HZ PHE 1 22.327 7.080 -2.314 12 H GLU 2 HN GLU 2 15.434 7.694 -5.470 13 HA GLU 2 HA GLU 2 15.024 6.928 -2.680 14 HB2 GLU 2 HB2 GLU 2 13.056 7.557 -4.051 15 HB3 GLU 2 HB1 GLU 2 13.407 6.225 -5.142 16 HG2 GLU 2 HG2 GLU 2 11.597 5.755 -3.520 17 HG3 GLU 2 HG1 GLU 2 12.940 4.614 -3.441 18 H THR 3 HN THR 3 15.390 4.913 -1.915 19 HA THR 3 HA THR 3 17.020 3.159 -3.577 20 HB THR 3 HB THR 3 17.292 1.877 -1.415 21 HG1 THR 3 HG1 THR 3 15.297 3.371 -0.637 22 HG21 THR 3 HG21 THR 3 18.845 3.480 -0.431 23 HG22 THR 3 HG22 THR 3 18.114 4.781 -1.368 24 HG23 THR 3 HG23 THR 3 18.972 3.479 -2.189 25 H LEU 4 HN LEU 4 16.232 1.337 -4.484 26 HA LEU 4 HA LEU 4 13.483 0.599 -3.981 27 HB2 LEU 4 HB2 LEU 4 14.377 0.591 -6.271 28 HB3 LEU 4 HB1 LEU 4 15.537 -0.639 -5.813 29 HG LEU 4 HG LEU 4 13.695 -2.212 -5.384 30 HD11 LEU 4 HD11 LEU 4 11.955 -0.646 -4.762 31 HD12 LEU 4 HD12 LEU 4 11.422 -1.632 -6.121 32 HD13 LEU 4 HD13 LEU 4 11.947 0.028 -6.390 33 HD21 LEU 4 HD21 LEU 4 14.749 -2.174 -7.572 34 HD22 LEU 4 HD22 LEU 4 13.627 -0.925 -8.108 35 HD23 LEU 4 HD23 LEU 4 13.030 -2.536 -7.718 36 H ARG 5 HN ARG 5 13.555 -0.090 -1.867 37 HA ARG 5 HA ARG 5 15.422 -2.158 -1.083 38 HB2 ARG 5 HB2 ARG 5 13.271 -0.782 0.520 39 HB3 ARG 5 HB1 ARG 5 14.521 -1.838 1.164 40 HG2 ARG 5 HG2 ARG 5 16.227 -0.246 0.345 41 HG3 ARG 5 HG1 ARG 5 14.929 0.828 -0.171 42 HD2 ARG 5 HD2 ARG 5 14.139 0.953 2.155 43 HD3 ARG 5 HD1 ARG 5 15.479 -0.082 2.648 44 HE ARG 5 HE ARG 5 16.172 2.387 1.253 45 HH11 ARG 5 HH11 ARG 5 15.829 0.689 4.298 46 HH12 ARG 5 HH12 ARG 5 16.861 1.778 5.167 47 HH21 ARG 5 HH21 ARG 5 17.516 3.841 2.408 48 HH22 ARG 5 HH22 ARG 5 17.806 3.576 4.097 49 H GLY 6 HN GLY 6 12.453 -2.145 -2.545 50 HA2 GLY 6 HA2 GLY 6 11.378 -4.072 -3.307 51 HA3 GLY 6 HA1 GLY 6 12.288 -5.009 -2.136 52 H ASP 7 HN ASP 7 11.618 -4.180 0.262 53 HA ASP 7 HA ASP 7 9.021 -5.274 0.524 54 HB2 ASP 7 HB2 ASP 7 9.276 -4.984 2.909 55 HB3 ASP 7 HB1 ASP 7 10.784 -5.576 2.230 56 H GLU 8 HN GLU 8 10.104 -2.099 0.056 57 HA GLU 8 HA GLU 8 7.991 -0.622 1.176 58 HB2 GLU 8 HB2 GLU 8 10.071 0.391 0.356 59 HB3 GLU 8 HB1 GLU 8 9.645 -0.054 -1.290 60 HG2 GLU 8 HG2 GLU 8 7.659 1.406 -1.121 61 HG3 GLU 8 HG1 GLU 8 8.210 1.909 0.476 62 H ARG 9 HN ARG 9 8.272 -2.514 -1.742 63 HA ARG 9 HA ARG 9 6.033 -1.542 -3.145 64 HB2 ARG 9 HB2 ARG 9 7.462 -4.189 -3.145 65 HB3 ARG 9 HB1 ARG 9 6.052 -3.909 -4.153 66 HG2 ARG 9 HG2 ARG 9 8.439 -2.101 -4.259 67 HG3 ARG 9 HG1 ARG 9 8.350 -3.588 -5.204 68 HD2 ARG 9 HD2 ARG 9 6.412 -1.278 -5.306 69 HD3 ARG 9 HD1 ARG 9 7.615 -1.687 -6.529 70 HE ARG 9 HE ARG 9 6.126 -3.952 -6.313 71 HH11 ARG 9 HH11 ARG 9 5.397 -0.593 -6.971 72 HH12 ARG 9 HH12 ARG 9 3.950 -0.944 -7.861 73 HH21 ARG 9 HH21 ARG 9 4.227 -4.424 -7.497 74 HH22 ARG 9 HH22 ARG 9 3.279 -3.129 -8.155 75 H ILE 10 HN ILE 10 6.381 -3.979 -0.646 76 HA ILE 10 HA ILE 10 3.722 -4.945 -0.730 77 HB ILE 10 HB ILE 10 5.698 -4.920 1.565 78 HG12 ILE 10 HG12 ILE 10 4.949 -7.163 -0.323 79 HG13 ILE 10 HG11 ILE 10 6.385 -6.164 -0.504 80 HG21 ILE 10 HG21 ILE 10 3.153 -6.511 1.255 81 HG22 ILE 10 HG22 ILE 10 3.411 -5.181 2.383 82 HG23 ILE 10 HG23 ILE 10 4.324 -6.680 2.564 83 HD11 ILE 10 HD11 ILE 10 5.768 -7.976 1.817 84 HD12 ILE 10 HD12 ILE 10 7.203 -6.964 1.657 85 HD13 ILE 10 HD13 ILE 10 6.926 -8.286 0.524 86 H LEU 11 HN LEU 11 5.277 -2.253 0.834 87 HA LEU 11 HA LEU 11 3.129 -1.495 2.535 88 HB2 LEU 11 HB2 LEU 11 5.537 -0.840 2.797 89 HB3 LEU 11 HB1 LEU 11 5.365 0.205 1.408 90 HG LEU 11 HG LEU 11 3.673 0.582 3.872 91 HD11 LEU 11 HD11 LEU 11 5.324 2.260 4.587 92 HD12 LEU 11 HD12 LEU 11 6.398 1.737 3.289 93 HD13 LEU 11 HD13 LEU 11 5.985 0.625 4.595 94 HD21 LEU 11 HD21 LEU 11 4.559 2.464 1.680 95 HD22 LEU 11 HD22 LEU 11 3.540 2.886 3.057 96 HD23 LEU 11 HD23 LEU 11 2.953 1.750 1.840 97 H SER 12 HN SER 12 4.226 -0.382 -0.674 98 HA SER 12 HA SER 12 2.159 1.561 -0.914 99 HB2 SER 12 HB2 SER 12 2.924 1.650 -3.316 100 HB3 SER 12 HB1 SER 12 4.185 1.934 -2.117 101 HG SER 12 HG SER 12 5.201 0.377 -3.080 102 H ILE 13 HN ILE 13 2.548 -1.765 -2.017 103 HA ILE 13 HA ILE 13 0.163 -1.856 -3.530 104 HB ILE 13 HB ILE 13 1.794 -4.033 -2.236 105 HG12 ILE 13 HG12 ILE 13 1.357 -3.235 -5.123 106 HG13 ILE 13 HG11 ILE 13 2.779 -2.845 -4.163 107 HG21 ILE 13 HG21 ILE 13 -0.514 -4.800 -2.301 108 HG22 ILE 13 HG22 ILE 13 0.462 -5.660 -3.494 109 HG23 ILE 13 HG23 ILE 13 -0.624 -4.368 -4.007 110 HD11 ILE 13 HD11 ILE 13 1.874 -5.605 -4.936 111 HD12 ILE 13 HD12 ILE 13 3.299 -5.218 -3.973 112 HD13 ILE 13 HD13 ILE 13 3.206 -4.702 -5.656 113 H LEU 14 HN LEU 14 0.872 -2.402 -0.125 114 HA LEU 14 HA LEU 14 -1.673 -3.247 0.693 115 HB2 LEU 14 HB2 LEU 14 0.165 -3.327 2.242 116 HB3 LEU 14 HB1 LEU 14 0.415 -1.596 2.114 117 HG LEU 14 HG LEU 14 -1.794 -1.235 3.194 118 HD11 LEU 14 HD11 LEU 14 -1.718 -4.215 3.624 119 HD12 LEU 14 HD12 LEU 14 -2.847 -3.346 2.588 120 HD13 LEU 14 HD13 LEU 14 -2.880 -3.095 4.333 121 HD21 LEU 14 HD21 LEU 14 0.165 -2.904 4.764 122 HD22 LEU 14 HD22 LEU 14 -1.063 -1.839 5.447 123 HD23 LEU 14 HD23 LEU 14 0.262 -1.163 4.497 124 H ARG 15 HN ARG 15 -0.313 -0.014 0.235 125 HA ARG 15 HA ARG 15 -2.597 1.421 1.016 126 HB2 ARG 15 HB2 ARG 15 -0.360 2.436 0.755 127 HB3 ARG 15 HB1 ARG 15 -0.482 2.226 -0.987 128 HG2 ARG 15 HG2 ARG 15 -2.379 3.729 -1.063 129 HG3 ARG 15 HG1 ARG 15 -2.332 3.903 0.691 130 HD2 ARG 15 HD2 ARG 15 -0.067 4.857 0.509 131 HD3 ARG 15 HD1 ARG 15 -0.181 4.736 -1.246 132 HE ARG 15 HE ARG 15 -2.312 6.243 0.003 133 HH11 ARG 15 HH11 ARG 15 0.884 6.368 -1.427 134 HH12 ARG 15 HH12 ARG 15 0.778 8.052 -1.831 135 HH21 ARG 15 HH21 ARG 15 -2.445 8.467 -0.505 136 HH22 ARG 15 HH22 ARG 15 -1.118 9.248 -1.303 137 H HIS 16 HN HIS 16 -1.683 -0.119 -1.983 138 HA HIS 16 HA HIS 16 -3.762 1.027 -3.559 139 HB2 HIS 16 HB2 HIS 16 -2.169 -1.507 -3.959 140 HB3 HIS 16 HB1 HIS 16 -3.322 -0.877 -5.126 141 HD1 HIS 16 HD1 HIS 16 -0.786 -1.105 -6.390 142 HD2 HIS 16 HD2 HIS 16 -1.573 2.165 -3.940 143 HE1 HIS 16 HE1 HIS 16 0.880 0.656 -7.061 144 HE2 HIS 16 HE2 HIS 16 0.449 2.593 -5.506 145 H GLN 17 HN GLN 17 -3.535 -1.773 -1.472 146 HA GLN 17 HA GLN 17 -5.981 -2.963 -2.293 147 HB2 GLN 17 HB2 GLN 17 -4.448 -3.239 0.300 148 HB3 GLN 17 HB1 GLN 17 -5.835 -4.222 -0.143 149 HG2 GLN 17 HG2 GLN 17 -3.119 -4.166 -1.431 150 HG3 GLN 17 HG1 GLN 17 -3.916 -5.511 -0.615 151 HE21 GLN 17 HE21 GLN 17 -2.811 -5.340 -3.310 152 HE22 GLN 17 HE22 GLN 17 -4.108 -5.730 -4.384 153 H ASN 18 HN ASN 18 -5.082 -0.601 0.136 154 HA ASN 18 HA ASN 18 -7.600 -0.275 1.348 155 HB2 ASN 18 HB2 ASN 18 -5.665 0.708 2.383 156 HB3 ASN 18 HB1 ASN 18 -5.294 1.637 0.936 157 HD21 ASN 18 HD21 ASN 18 -5.328 3.617 1.905 158 HD22 ASN 18 HD22 ASN 18 -6.763 4.340 2.532 159 H LEU 19 HN LEU 19 -6.157 1.160 -1.526 160 HA LEU 19 HA LEU 19 -8.465 2.822 -2.034 161 HB2 LEU 19 HB2 LEU 19 -6.042 2.293 -3.748 162 HB3 LEU 19 HB1 LEU 19 -7.242 3.538 -4.028 163 HG LEU 19 HG LEU 19 -5.408 3.403 -1.634 164 HD11 LEU 19 HD11 LEU 19 -4.169 3.912 -3.652 165 HD12 LEU 19 HD12 LEU 19 -4.315 5.351 -2.644 166 HD13 LEU 19 HD13 LEU 19 -5.331 5.169 -4.073 167 HD21 LEU 19 HD21 LEU 19 -7.543 4.471 -1.135 168 HD22 LEU 19 HD22 LEU 19 -7.341 5.537 -2.525 169 HD23 LEU 19 HD23 LEU 19 -6.234 5.651 -1.157 170 H LEU 20 HN LEU 20 -7.993 -0.354 -2.332 171 HA LEU 20 HA LEU 20 -9.567 -0.611 -4.799 172 HB2 LEU 20 HB2 LEU 20 -7.479 -1.937 -4.656 173 HB3 LEU 20 HB1 LEU 20 -8.086 -2.719 -3.212 174 HG LEU 20 HG LEU 20 -9.895 -3.743 -4.519 175 HD11 LEU 20 HD11 LEU 20 -8.559 -2.463 -6.896 176 HD12 LEU 20 HD12 LEU 20 -10.131 -2.021 -6.233 177 HD13 LEU 20 HD13 LEU 20 -9.893 -3.615 -6.949 178 HD21 LEU 20 HD21 LEU 20 -8.505 -5.301 -5.798 179 HD22 LEU 20 HD22 LEU 20 -7.813 -4.956 -4.215 180 HD23 LEU 20 HD23 LEU 20 -7.141 -4.195 -5.656 181 H LYS 21 HN LYS 21 -10.013 -0.154 -1.650 182 HA LYS 21 HA LYS 21 -12.236 -2.052 -1.370 183 HB2 LYS 21 HB2 LYS 21 -10.494 -2.077 0.406 184 HB3 LYS 21 HB1 LYS 21 -10.857 -0.394 0.754 185 HG2 LYS 21 HG2 LYS 21 -13.097 -0.981 1.442 186 HG3 LYS 21 HG1 LYS 21 -12.815 -2.666 1.008 187 HD2 LYS 21 HD2 LYS 21 -11.319 -1.128 3.125 188 HD3 LYS 21 HD1 LYS 21 -12.615 -2.283 3.426 189 HE2 LYS 21 HE2 LYS 21 -11.238 -4.031 2.319 190 HE3 LYS 21 HE1 LYS 21 -9.927 -2.860 2.182 191 HZ1 LYS 21 HZ1 LYS 21 -9.931 -2.663 4.603 192 HZ2 LYS 21 HZ2 LYS 21 -9.621 -4.248 4.110 193 HZ3 LYS 21 HZ3 LYS 21 -11.147 -3.832 4.707 194 H GLU 22 HN GLU 22 -13.957 -1.075 -2.310 195 HA GLU 22 HA GLU 22 -14.452 1.755 -1.888 196 HB2 GLU 22 HB2 GLU 22 -15.933 -0.345 -3.478 197 HB3 GLU 22 HB1 GLU 22 -16.451 1.330 -3.357 198 HG2 GLU 22 HG2 GLU 22 -13.845 0.368 -4.509 199 HG3 GLU 22 HG1 GLU 22 -15.247 0.919 -5.425 200 H LEU 23 HN LEU 23 -14.516 0.720 0.521 201 HA LEU 23 HA LEU 23 -17.364 0.314 1.149 202 HB2 LEU 23 HB2 LEU 23 -14.930 -0.443 2.767 203 HB3 LEU 23 HB1 LEU 23 -16.588 -0.647 3.294 204 HG LEU 23 HG LEU 23 -15.255 -2.062 0.986 205 HD11 LEU 23 HD11 LEU 23 -16.270 -3.074 3.636 206 HD12 LEU 23 HD12 LEU 23 -14.581 -2.896 3.170 207 HD13 LEU 23 HD13 LEU 23 -15.606 -4.066 2.341 208 HD21 LEU 23 HD21 LEU 23 -17.346 -3.322 0.787 209 HD22 LEU 23 HD22 LEU 23 -17.583 -1.607 0.452 210 HD23 LEU 23 HD23 LEU 23 -18.085 -2.281 2.004 211 H GLN 24 HN GLN 24 -17.796 2.528 1.067 212 HA GLN 24 HA GLN 24 -16.718 4.057 3.343 213 HB2 GLN 24 HB2 GLN 24 -17.431 5.050 0.576 214 HB3 GLN 24 HB1 GLN 24 -17.060 6.102 1.934 215 HG2 GLN 24 HG2 GLN 24 -15.165 4.047 0.820 216 HG3 GLN 24 HG1 GLN 24 -15.174 5.748 0.359 217 HE21 GLN 24 HE21 GLN 24 -14.481 3.463 2.894 218 HE22 GLN 24 HE22 GLN 24 -13.570 4.546 3.888 219 H ASP 25 HN ASP 25 -18.970 2.436 3.526 220 HA ASP 25 HA ASP 25 -21.308 4.132 3.198 221 HB2 ASP 25 HB2 ASP 25 -21.008 1.301 4.217 222 HB3 ASP 25 HB1 ASP 25 -22.542 2.158 4.158 Start of MODEL 15 1 H1 PHE 1 HT1 PHE 1 11.161 12.096 2.674 2 H2 PHE 1 HT2 PHE 1 10.279 10.940 1.810 3 H3 PHE 1 HT3 PHE 1 11.413 11.902 1.015 4 HA PHE 1 HA PHE 1 13.201 10.908 2.219 5 HB2 PHE 1 HB2 PHE 1 12.816 9.034 3.737 6 HB3 PHE 1 HB1 PHE 1 11.936 10.449 4.299 7 HD1 PHE 1 HD1 PHE 1 11.719 7.002 3.444 8 HD2 PHE 1 HD2 PHE 1 9.451 10.589 3.721 9 HE1 PHE 1 HE1 PHE 1 9.648 5.681 3.514 10 HE2 PHE 1 HE2 PHE 1 7.375 9.276 3.799 11 HZ PHE 1 HZ PHE 1 7.492 6.786 3.743 12 H GLU 2 HN GLU 2 14.193 8.917 1.503 13 HA GLU 2 HA GLU 2 12.650 7.414 -0.474 14 HB2 GLU 2 HB2 GLU 2 14.624 7.551 -2.041 15 HB3 GLU 2 HB1 GLU 2 13.729 9.050 -1.841 16 HG2 GLU 2 HG2 GLU 2 15.432 9.843 -0.271 17 HG3 GLU 2 HG1 GLU 2 16.334 8.349 -0.505 18 H THR 3 HN THR 3 12.688 5.853 1.251 19 HA THR 3 HA THR 3 15.295 4.536 1.576 20 HB THR 3 HB THR 3 14.208 3.486 3.619 21 HG1 THR 3 HG1 THR 3 12.498 5.396 4.195 22 HG21 THR 3 HG21 THR 3 14.596 6.478 3.584 23 HG22 THR 3 HG22 THR 3 15.860 5.267 3.798 24 HG23 THR 3 HG23 THR 3 14.604 5.457 5.022 25 H LEU 4 HN LEU 4 14.445 3.749 -0.680 26 HA LEU 4 HA LEU 4 12.388 1.782 -0.702 27 HB2 LEU 4 HB2 LEU 4 12.967 2.991 -2.717 28 HB3 LEU 4 HB1 LEU 4 14.599 2.359 -2.669 29 HG LEU 4 HG LEU 4 13.714 0.093 -3.085 30 HD11 LEU 4 HD11 LEU 4 11.067 1.515 -3.319 31 HD12 LEU 4 HD12 LEU 4 11.514 0.314 -2.109 32 HD13 LEU 4 HD13 LEU 4 11.370 -0.152 -3.802 33 HD21 LEU 4 HD21 LEU 4 13.096 0.458 -5.420 34 HD22 LEU 4 HD22 LEU 4 14.452 1.480 -4.945 35 HD23 LEU 4 HD23 LEU 4 12.834 2.168 -5.084 36 H ARG 5 HN ARG 5 12.819 0.328 0.892 37 HA ARG 5 HA ARG 5 15.246 -1.305 0.636 38 HB2 ARG 5 HB2 ARG 5 13.367 -0.871 2.952 39 HB3 ARG 5 HB1 ARG 5 14.686 -2.030 2.965 40 HG2 ARG 5 HG2 ARG 5 16.309 -0.395 3.026 41 HG3 ARG 5 HG1 ARG 5 15.245 0.828 2.329 42 HD2 ARG 5 HD2 ARG 5 14.856 -0.362 5.067 43 HD3 ARG 5 HD1 ARG 5 15.752 1.129 4.767 44 HE ARG 5 HE ARG 5 13.359 1.563 3.548 45 HH11 ARG 5 HH11 ARG 5 14.263 0.571 6.786 46 HH12 ARG 5 HH12 ARG 5 12.901 1.338 7.538 47 HH21 ARG 5 HH21 ARG 5 11.570 2.583 4.537 48 HH22 ARG 5 HH22 ARG 5 11.368 2.484 6.257 49 H GLY 6 HN GLY 6 12.927 -1.620 -1.058 50 HA2 GLY 6 HA2 GLY 6 12.039 -3.513 -2.075 51 HA3 GLY 6 HA1 GLY 6 12.618 -4.472 -0.723 52 H ASP 7 HN ASP 7 11.411 -3.584 1.425 53 HA ASP 7 HA ASP 7 8.853 -4.697 1.212 54 HB2 ASP 7 HB2 ASP 7 10.112 -3.078 3.419 55 HB3 ASP 7 HB1 ASP 7 8.519 -3.812 3.556 56 H GLU 8 HN GLU 8 9.889 -1.505 0.616 57 HA GLU 8 HA GLU 8 7.579 -0.039 1.154 58 HB2 GLU 8 HB2 GLU 8 9.774 0.933 0.486 59 HB3 GLU 8 HB1 GLU 8 9.482 0.379 -1.155 60 HG2 GLU 8 HG2 GLU 8 7.538 1.813 -1.317 61 HG3 GLU 8 HG1 GLU 8 7.761 2.331 0.353 62 H ARG 9 HN ARG 9 8.356 -2.233 -1.455 63 HA ARG 9 HA ARG 9 6.218 -1.564 -3.180 64 HB2 ARG 9 HB2 ARG 9 7.898 -4.021 -2.815 65 HB3 ARG 9 HB1 ARG 9 6.524 -4.038 -3.909 66 HG2 ARG 9 HG2 ARG 9 8.789 -2.066 -4.089 67 HG3 ARG 9 HG1 ARG 9 8.710 -3.576 -4.999 68 HD2 ARG 9 HD2 ARG 9 6.753 -1.281 -5.136 69 HD3 ARG 9 HD1 ARG 9 7.927 -1.738 -6.370 70 HE ARG 9 HE ARG 9 6.448 -3.989 -6.052 71 HH11 ARG 9 HH11 ARG 9 5.642 -0.649 -6.749 72 HH12 ARG 9 HH12 ARG 9 4.194 -1.052 -7.617 73 HH21 ARG 9 HH21 ARG 9 4.546 -4.514 -7.199 74 HH22 ARG 9 HH22 ARG 9 3.573 -3.244 -7.876 75 H ILE 10 HN ILE 10 6.496 -3.877 -0.526 76 HA ILE 10 HA ILE 10 3.882 -4.931 -0.730 77 HB ILE 10 HB ILE 10 5.678 -4.680 1.695 78 HG12 ILE 10 HG12 ILE 10 5.084 -7.055 -0.086 79 HG13 ILE 10 HG11 ILE 10 6.562 -6.102 -0.136 80 HG21 ILE 10 HG21 ILE 10 3.160 -6.312 1.358 81 HG22 ILE 10 HG22 ILE 10 3.343 -4.885 2.378 82 HG23 ILE 10 HG23 ILE 10 4.241 -6.356 2.752 83 HD11 ILE 10 HD11 ILE 10 7.093 -6.785 2.136 84 HD12 ILE 10 HD12 ILE 10 6.866 -8.186 1.086 85 HD13 ILE 10 HD13 ILE 10 5.595 -7.713 2.212 86 H LEU 11 HN LEU 11 5.257 -2.239 1.081 87 HA LEU 11 HA LEU 11 2.968 -1.505 2.521 88 HB2 LEU 11 HB2 LEU 11 5.356 -0.751 2.883 89 HB3 LEU 11 HB1 LEU 11 5.142 0.345 1.537 90 HG LEU 11 HG LEU 11 3.313 0.490 3.916 91 HD11 LEU 11 HD11 LEU 11 5.590 0.579 4.788 92 HD12 LEU 11 HD12 LEU 11 4.814 2.161 4.882 93 HD13 LEU 11 HD13 LEU 11 5.998 1.832 3.616 94 HD21 LEU 11 HD21 LEU 11 3.128 2.826 3.221 95 HD22 LEU 11 HD22 LEU 11 2.699 1.741 1.900 96 HD23 LEU 11 HD23 LEU 11 4.273 2.536 1.912 97 H SER 12 HN SER 12 4.147 -0.465 -0.664 98 HA SER 12 HA SER 12 2.067 1.447 -1.014 99 HB2 SER 12 HB2 SER 12 2.892 1.444 -3.414 100 HB3 SER 12 HB1 SER 12 4.064 1.886 -2.178 101 HG SER 12 HG SER 12 5.075 -0.025 -2.412 102 H ILE 13 HN ILE 13 2.517 -1.909 -2.036 103 HA ILE 13 HA ILE 13 0.170 -2.038 -3.606 104 HB ILE 13 HB ILE 13 1.674 -4.208 -2.143 105 HG12 ILE 13 HG12 ILE 13 1.469 -3.502 -5.080 106 HG13 ILE 13 HG11 ILE 13 2.839 -3.136 -4.037 107 HG21 ILE 13 HG21 ILE 13 -0.631 -4.924 -2.327 108 HG22 ILE 13 HG22 ILE 13 0.360 -5.819 -3.480 109 HG23 ILE 13 HG23 ILE 13 -0.658 -4.491 -4.036 110 HD11 ILE 13 HD11 ILE 13 3.247 -5.518 -3.732 111 HD12 ILE 13 HD12 ILE 13 3.275 -5.071 -5.438 112 HD13 ILE 13 HD13 ILE 13 1.866 -5.889 -4.764 113 H LEU 14 HN LEU 14 0.803 -2.623 -0.182 114 HA LEU 14 HA LEU 14 -1.810 -3.339 0.552 115 HB2 LEU 14 HB2 LEU 14 0.145 -3.624 2.015 116 HB3 LEU 14 HB1 LEU 14 0.287 -1.884 2.166 117 HG LEU 14 HG LEU 14 -1.942 -1.839 3.265 118 HD11 LEU 14 HD11 LEU 14 -1.672 -4.836 3.132 119 HD12 LEU 14 HD12 LEU 14 -2.907 -3.848 2.350 120 HD13 LEU 14 HD13 LEU 14 -2.856 -3.968 4.108 121 HD21 LEU 14 HD21 LEU 14 -1.174 -2.742 5.395 122 HD22 LEU 14 HD22 LEU 14 0.114 -1.861 4.577 123 HD23 LEU 14 HD23 LEU 14 0.109 -3.623 4.566 124 H ARG 15 HN ARG 15 -0.252 -0.201 0.127 125 HA ARG 15 HA ARG 15 -2.418 1.378 1.000 126 HB2 ARG 15 HB2 ARG 15 -0.204 2.345 0.675 127 HB3 ARG 15 HB1 ARG 15 -0.288 2.009 -1.048 128 HG2 ARG 15 HG2 ARG 15 -2.183 3.543 -1.253 129 HG3 ARG 15 HG1 ARG 15 -2.078 3.893 0.472 130 HD2 ARG 15 HD2 ARG 15 0.192 4.764 0.143 131 HD3 ARG 15 HD1 ARG 15 0.061 4.433 -1.584 132 HE ARG 15 HE ARG 15 -2.021 6.141 -0.521 133 HH11 ARG 15 HH11 ARG 15 1.149 5.979 -2.000 134 HH12 ARG 15 HH12 ARG 15 1.114 7.621 -2.562 135 HH21 ARG 15 HH21 ARG 15 -2.074 8.305 -1.262 136 HH22 ARG 15 HH22 ARG 15 -0.729 8.937 -2.158 137 H HIS 16 HN HIS 16 -1.655 -0.138 -2.070 138 HA HIS 16 HA HIS 16 -3.716 1.091 -3.575 139 HB2 HIS 16 HB2 HIS 16 -2.355 -1.577 -3.996 140 HB3 HIS 16 HB1 HIS 16 -3.426 -0.809 -5.159 141 HD1 HIS 16 HD1 HIS 16 -0.612 -1.436 -6.045 142 HD2 HIS 16 HD2 HIS 16 -1.668 2.167 -4.262 143 HE1 HIS 16 HE1 HIS 16 1.163 0.205 -6.736 144 HE2 HIS 16 HE2 HIS 16 0.565 2.350 -5.555 145 H GLN 17 HN GLN 17 -3.630 -1.591 -1.376 146 HA GLN 17 HA GLN 17 -6.223 -2.597 -2.012 147 HB2 GLN 17 HB2 GLN 17 -4.518 -2.924 0.465 148 HB3 GLN 17 HB1 GLN 17 -6.039 -3.765 0.198 149 HG2 GLN 17 HG2 GLN 17 -3.525 -4.029 -1.441 150 HG3 GLN 17 HG1 GLN 17 -4.212 -5.227 -0.344 151 HE21 GLN 17 HE21 GLN 17 -3.617 -5.328 -3.235 152 HE22 GLN 17 HE22 GLN 17 -5.105 -5.777 -3.993 153 H ASN 18 HN ASN 18 -4.957 -0.131 0.130 154 HA ASN 18 HA ASN 18 -7.349 0.337 1.565 155 HB2 ASN 18 HB2 ASN 18 -5.250 1.211 2.414 156 HB3 ASN 18 HB1 ASN 18 -5.032 2.195 0.973 157 HD21 ASN 18 HD21 ASN 18 -6.024 4.176 0.859 158 HD22 ASN 18 HD22 ASN 18 -6.973 4.840 2.138 159 H LEU 19 HN LEU 19 -6.114 1.494 -1.495 160 HA LEU 19 HA LEU 19 -8.247 3.353 -1.955 161 HB2 LEU 19 HB2 LEU 19 -6.239 2.129 -3.845 162 HB3 LEU 19 HB1 LEU 19 -7.352 3.413 -4.272 163 HG LEU 19 HG LEU 19 -5.185 3.631 -2.179 164 HD11 LEU 19 HD11 LEU 19 -4.265 3.456 -4.430 165 HD12 LEU 19 HD12 LEU 19 -4.065 5.083 -3.785 166 HD13 LEU 19 HD13 LEU 19 -5.328 4.754 -4.971 167 HD21 LEU 19 HD21 LEU 19 -7.040 5.702 -3.347 168 HD22 LEU 19 HD22 LEU 19 -5.714 6.022 -2.229 169 HD23 LEU 19 HD23 LEU 19 -7.100 5.065 -1.704 170 H LEU 20 HN LEU 20 -7.974 -0.005 -2.128 171 HA LEU 20 HA LEU 20 -10.022 -0.329 -4.170 172 HB2 LEU 20 HB2 LEU 20 -8.077 -1.861 -4.076 173 HB3 LEU 20 HB1 LEU 20 -8.577 -2.378 -2.478 174 HG LEU 20 HG LEU 20 -10.712 -3.216 -3.506 175 HD11 LEU 20 HD11 LEU 20 -9.227 -2.687 -6.074 176 HD12 LEU 20 HD12 LEU 20 -10.689 -1.866 -5.528 177 HD13 LEU 20 HD13 LEU 20 -10.736 -3.584 -5.919 178 HD21 LEU 20 HD21 LEU 20 -8.865 -4.706 -2.947 179 HD22 LEU 20 HD22 LEU 20 -8.139 -4.409 -4.526 180 HD23 LEU 20 HD23 LEU 20 -9.691 -5.237 -4.411 181 H LYS 21 HN LYS 21 -9.756 0.086 -0.839 182 HA LYS 21 HA LYS 21 -12.138 -1.424 -0.160 183 HB2 LYS 21 HB2 LYS 21 -10.144 -1.431 1.325 184 HB3 LYS 21 HB1 LYS 21 -10.367 0.292 1.590 185 HG2 LYS 21 HG2 LYS 21 -12.497 -0.110 2.650 186 HG3 LYS 21 HG1 LYS 21 -12.367 -1.834 2.303 187 HD2 LYS 21 HD2 LYS 21 -10.337 -1.936 3.693 188 HD3 LYS 21 HD1 LYS 21 -10.541 -0.226 4.084 189 HE2 LYS 21 HE2 LYS 21 -11.415 -1.650 5.866 190 HE3 LYS 21 HE1 LYS 21 -12.705 -0.714 5.110 191 HZ1 LYS 21 HZ1 LYS 21 -13.296 -2.672 3.807 192 HZ2 LYS 21 HZ2 LYS 21 -13.384 -2.994 5.462 193 HZ3 LYS 21 HZ3 LYS 21 -12.074 -3.563 4.562 194 H GLU 22 HN GLU 22 -13.934 -0.445 -0.852 195 HA GLU 22 HA GLU 22 -14.261 2.391 -0.922 196 HB2 GLU 22 HB2 GLU 22 -15.392 0.835 -2.492 197 HB3 GLU 22 HB1 GLU 22 -16.362 0.234 -1.156 198 HG2 GLU 22 HG2 GLU 22 -17.226 2.547 -0.838 199 HG3 GLU 22 HG1 GLU 22 -16.377 3.006 -2.314 200 H LEU 23 HN LEU 23 -15.324 -0.195 1.231 201 HA LEU 23 HA LEU 23 -16.925 1.489 2.882 202 HB2 LEU 23 HB2 LEU 23 -17.313 -0.914 2.796 203 HB3 LEU 23 HB1 LEU 23 -15.704 -1.218 3.423 204 HG LEU 23 HG LEU 23 -16.347 -0.110 5.545 205 HD11 LEU 23 HD11 LEU 23 -19.089 -0.024 4.296 206 HD12 LEU 23 HD12 LEU 23 -18.085 1.364 4.714 207 HD13 LEU 23 HD13 LEU 23 -18.722 0.320 5.986 208 HD21 LEU 23 HD21 LEU 23 -17.780 -1.910 6.357 209 HD22 LEU 23 HD22 LEU 23 -16.499 -2.531 5.317 210 HD23 LEU 23 HD23 LEU 23 -18.141 -2.377 4.695 211 H GLN 24 HN GLN 24 -16.061 3.112 3.973 212 HA GLN 24 HA GLN 24 -13.580 2.613 5.472 213 HB2 GLN 24 HB2 GLN 24 -14.390 5.178 4.085 214 HB3 GLN 24 HB1 GLN 24 -12.969 4.978 5.103 215 HG2 GLN 24 HG2 GLN 24 -12.087 3.325 3.530 216 HG3 GLN 24 HG1 GLN 24 -13.501 3.551 2.506 217 HE21 GLN 24 HE21 GLN 24 -10.542 4.950 3.659 218 HE22 GLN 24 HE22 GLN 24 -10.459 6.224 2.492 219 H ASP 25 HN ASP 25 -13.365 4.410 7.234 220 HA ASP 25 HA ASP 25 -16.020 4.795 8.451 221 HB2 ASP 25 HB2 ASP 25 -13.408 4.136 9.832 222 HB3 ASP 25 HB1 ASP 25 -14.887 4.593 10.666
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