NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
455711 | 2kpb | 16551 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 H VAL 1 2.333 -0.143 0.343 2 HA VAL 1 HA VAL 1 2.129 0.470 -2.432 3 HB VAL 1 HB VAL 1 4.453 -0.228 -2.596 4 HG11 VAL 1 1HG1 VAL 1 3.739 1.403 -0.173 5 HG12 VAL 1 2HG1 VAL 1 5.399 1.219 -0.744 6 HG13 VAL 1 3HG1 VAL 1 4.186 1.972 -1.781 7 HG21 VAL 1 3HG2 VAL 1 4.108 -1.237 0.226 8 HG22 VAL 1 1HG2 VAL 1 4.362 -2.224 -1.214 9 HG23 VAL 1 2HG2 VAL 1 5.637 -1.145 -0.647 10 H SER 2 H SER 2 1.843 -2.432 -0.555 11 HA SER 2 HA SER 2 2.208 -4.220 -2.784 12 HB2 SER 2 2HB SER 2 2.782 -4.916 -0.488 13 HB3 SER 2 3HB SER 2 1.089 -4.760 -0.021 14 HG SER 2 HG SER 2 0.813 -6.697 -0.752 15 H VAL 3 H VAL 3 -0.371 -2.403 -1.457 16 HA VAL 3 HA VAL 3 -2.480 -4.084 -2.492 17 HB VAL 3 HB VAL 3 -3.992 -2.267 -1.793 18 HG11 VAL 3 1HG1 VAL 3 -3.723 -2.555 0.551 19 HG12 VAL 3 2HG1 VAL 3 -3.156 -4.039 -0.217 20 HG13 VAL 3 3HG1 VAL 3 -1.994 -2.855 0.381 21 HG21 VAL 3 3HG2 VAL 3 -3.121 -0.202 -1.882 22 HG22 VAL 3 1HG2 VAL 3 -2.498 -0.559 -0.271 23 HG23 VAL 3 2HG2 VAL 3 -1.469 -0.788 -1.685 24 H ASP 4 H ASP 4 -0.527 -1.486 -3.624 25 HA ASP 4 HA ASP 4 -2.203 -0.335 -5.544 26 HB2 ASP 4 2HB ASP 4 0.545 -0.178 -4.811 27 HB3 ASP 4 3HB ASP 4 0.463 -0.401 -6.557 28 HA PRO 5 HA PRO 5 -0.388 -3.566 -8.666 29 HB2 PRO 5 2HB PRO 5 0.822 -5.745 -7.590 30 HB3 PRO 5 3HB PRO 5 1.697 -4.265 -7.998 31 HG2 PRO 5 2HG PRO 5 0.679 -5.191 -5.340 32 HG3 PRO 5 3HG PRO 5 2.236 -4.446 -5.744 33 HD2 PRO 5 2HD PRO 5 0.195 -3.049 -4.642 34 HD3 PRO 5 3HD PRO 5 1.353 -2.317 -5.771 35 H PHE 6 H PHE 6 -1.642 -4.709 -5.579 36 HA PHE 6 HA PHE 6 -2.849 -7.078 -6.435 37 HB2 PHE 6 2HB PHE 6 -2.550 -6.137 -4.042 38 HB3 PHE 6 3HB PHE 6 -4.078 -5.312 -4.333 39 HD1 PHE 6 HD2 PHE 6 -6.147 -6.556 -4.526 40 HD2 PHE 6 HD1 PHE 6 -2.450 -8.532 -3.790 41 HE1 PHE 6 HE2 PHE 6 -7.368 -8.589 -3.872 42 HE2 PHE 6 HE1 PHE 6 -3.665 -10.569 -3.135 43 HZ PHE 6 HZ PHE 6 -6.127 -10.599 -3.174 44 H TYR 7 H TYR 7 -4.466 -3.946 -5.868 45 HA TYR 7 HA TYR 7 -6.854 -4.713 -7.182 46 HB2 TYR 7 2HB TYR 7 -7.658 -2.693 -6.521 47 HB3 TYR 7 3HB TYR 7 -6.223 -2.704 -5.502 48 HD1 TYR 7 HD1 TYR 7 -4.260 -1.348 -6.104 49 HD2 TYR 7 HD2 TYR 7 -7.851 -1.183 -8.381 50 HE1 TYR 7 HE1 TYR 7 -3.492 0.739 -7.154 51 HE2 TYR 7 HE2 TYR 7 -7.093 0.904 -9.437 52 HH TYR 7 HH TYR 7 -4.008 1.952 -9.434 53 H GLU 8 H GLU 8 -3.828 -3.584 -8.321 54 HA GLU 8 HA GLU 8 -4.757 -2.433 -10.771 55 HB2 GLU 8 2HB GLU 8 -2.140 -3.047 -9.537 56 HB3 GLU 8 3HB GLU 8 -2.170 -3.026 -11.294 57 HG2 GLU 8 2HG GLU 8 -3.178 -0.774 -9.576 58 HG3 GLU 8 3HG GLU 8 -1.542 -0.864 -10.228 59 H MET 9 H MET 9 -3.405 -5.568 -9.830 60 HA MET 9 HA MET 9 -3.565 -6.615 -12.509 61 HB2 MET 9 2HB MET 9 -2.748 -8.678 -11.566 62 HB3 MET 9 3HB MET 9 -1.827 -7.342 -10.888 63 HG2 MET 9 2HG MET 9 -3.215 -7.440 -8.862 64 HG3 MET 9 3HG MET 9 -4.074 -8.821 -9.541 65 HE1 MET 9 3HE MET 9 -0.944 -7.605 -7.596 66 HE2 MET 9 1HE MET 9 0.287 -8.774 -8.075 67 HE3 MET 9 2HE MET 9 -0.348 -7.629 -9.257 68 H LEU 10 H LEU 10 -5.421 -6.882 -9.521 69 HA LEU 10 HA LEU 10 -7.246 -8.824 -10.602 70 HB2 LEU 10 2HB LEU 10 -6.813 -7.463 -8.045 71 HB3 LEU 10 3HB LEU 10 -8.508 -7.766 -8.421 72 HG LEU 10 HG LEU 10 -7.679 -9.561 -7.066 73 HD11 LEU 10 1HD1 LEU 10 -9.014 -9.909 -9.378 74 HD12 LEU 10 2HD1 LEU 10 -8.642 -11.214 -8.253 75 HD13 LEU 10 3HD1 LEU 10 -7.618 -10.948 -9.663 76 HD21 LEU 10 3HD2 LEU 10 -5.275 -9.211 -7.664 77 HD22 LEU 10 1HD2 LEU 10 -5.585 -10.076 -9.170 78 HD23 LEU 10 2HD2 LEU 10 -5.784 -10.900 -7.623 79 H ALA 11 H ALA 11 -9.047 -8.460 -11.726 80 HA ALA 11 HA ALA 11 -9.754 -5.760 -12.446 81 HB1 ALA 11 1HB ALA 11 -11.695 -7.550 -13.426 82 HB2 ALA 11 2HB ALA 11 -10.367 -6.796 -14.309 83 HB3 ALA 11 3HB ALA 11 -10.138 -8.369 -13.545 84 H ALA 12 H ALA 12 -11.174 -8.381 -10.553 85 HA ALA 12 HA ALA 12 -13.665 -7.129 -10.072 86 HB1 ALA 12 1HB ALA 12 -13.882 -9.316 -9.562 87 HB2 ALA 12 2HB ALA 12 -12.212 -9.466 -9.014 88 HB3 ALA 12 3HB ALA 12 -13.429 -8.762 -7.950 89 H ARG 13 H ARG 13 -10.529 -6.633 -8.774 90 HA ARG 13 HA ARG 13 -11.352 -5.524 -6.264 91 HB2 ARG 13 2HB ARG 13 -8.822 -5.946 -7.706 92 HB3 ARG 13 3HB ARG 13 -8.849 -4.514 -6.686 93 HG2 ARG 13 2HG ARG 13 -9.473 -7.318 -5.782 94 HG3 ARG 13 3HG ARG 13 -7.957 -6.458 -5.511 95 HD2 ARG 13 2HD ARG 13 -9.530 -4.653 -4.446 96 HD3 ARG 13 3HD ARG 13 -10.643 -6.012 -4.291 97 HE ARG 13 HE ARG 13 -9.285 -6.912 -2.663 98 HH11 ARG 13 1HH1 ARG 13 -7.661 -4.261 -4.231 99 HH12 ARG 13 2HH1 ARG 13 -6.375 -4.193 -3.072 100 HH21 ARG 13 1HH2 ARG 13 -7.597 -6.832 -1.131 101 HH22 ARG 13 2HH2 ARG 13 -6.339 -5.656 -1.309 102 H LYS 14 H LYS 14 -10.474 -4.229 -9.428 103 HA LYS 14 HA LYS 14 -10.411 -1.512 -8.760 104 HB2 LYS 14 2HB LYS 14 -11.208 -2.818 -11.368 105 HB3 LYS 14 3HB LYS 14 -10.831 -1.112 -11.170 106 HG2 LYS 14 2HG LYS 14 -8.556 -1.635 -10.576 107 HG3 LYS 14 3HG LYS 14 -8.911 -3.364 -10.615 108 HD2 LYS 14 2HD LYS 14 -7.845 -2.865 -12.667 109 HD3 LYS 14 3HD LYS 14 -9.561 -3.043 -13.039 110 HE2 LYS 14 2HE LYS 14 -8.938 -1.124 -14.206 111 HE3 LYS 14 3HE LYS 14 -9.682 -0.495 -12.736 112 HZ1 LYS 14 3HZ LYS 14 -7.609 0.048 -11.840 113 HZ2 LYS 14 1HZ LYS 14 -7.496 0.529 -13.458 114 HZ3 LYS 14 2HZ LYS 14 -6.761 -0.906 -12.950 115 H LYS 15 H LYS 15 -12.049 -0.751 -7.514 116 HA LYS 15 HA LYS 15 -14.808 -1.341 -8.120 117 HB2 LYS 15 2HB LYS 15 -13.450 0.385 -6.057 118 HB3 LYS 15 3HB LYS 15 -15.198 0.367 -6.250 119 HG2 LYS 15 2HG LYS 15 -15.419 -1.685 -5.329 120 HG3 LYS 15 3HG LYS 15 -13.877 -2.259 -5.969 121 HD2 LYS 15 2HD LYS 15 -13.293 -0.198 -4.129 122 HD3 LYS 15 3HD LYS 15 -14.484 -1.252 -3.362 123 HE2 LYS 15 2HE LYS 15 -12.729 -2.532 -2.819 124 HE3 LYS 15 3HE LYS 15 -12.768 -3.050 -4.504 125 HZ1 LYS 15 3HZ LYS 15 -11.172 -1.308 -5.032 126 HZ2 LYS 15 1HZ LYS 15 -10.554 -2.358 -3.858 127 HZ3 LYS 15 2HZ LYS 15 -11.126 -0.830 -3.410 128 H ARG 16 H ARG 16 -13.529 1.875 -7.401 129 HA ARG 16 HA ARG 16 -15.265 3.037 -9.391 130 HB2 ARG 16 2HB ARG 16 -13.645 3.997 -7.129 131 HB3 ARG 16 3HB ARG 16 -13.724 5.105 -8.493 132 HG2 ARG 16 2HG ARG 16 -16.141 3.909 -7.160 133 HG3 ARG 16 3HG ARG 16 -15.455 5.482 -6.747 134 HD2 ARG 16 2HD ARG 16 -15.672 5.790 -9.394 135 HD3 ARG 16 3HD ARG 16 -16.980 4.635 -9.139 136 HE ARG 16 HE ARG 16 -18.199 6.317 -8.203 137 HH11 ARG 16 1HH1 ARG 16 -14.830 7.188 -8.077 138 HH12 ARG 16 2HH1 ARG 16 -15.130 8.775 -7.449 139 HH21 ARG 16 1HH2 ARG 16 -18.606 8.403 -7.375 140 HH22 ARG 16 2HH2 ARG 16 -17.278 9.464 -7.049 141 H ILE 17 H ILE 17 -11.984 2.040 -9.189 142 HA ILE 17 HA ILE 17 -10.932 3.758 -11.211 143 HB ILE 17 HB ILE 17 -9.103 1.942 -11.301 144 HG12 ILE 17 2HG1 ILE 17 -10.943 0.457 -9.937 145 HG13 ILE 17 3HG1 ILE 17 -9.212 0.136 -9.946 146 HG21 ILE 17 1HG2 ILE 17 -8.703 4.003 -10.189 147 HG22 ILE 17 2HG2 ILE 17 -9.723 3.540 -8.828 148 HG23 ILE 17 3HG2 ILE 17 -8.185 2.720 -9.096 149 HD11 ILE 17 3HD1 ILE 17 -10.532 1.890 -7.899 150 HD12 ILE 17 1HD1 ILE 17 -10.332 0.150 -7.696 151 HD13 ILE 17 2HD1 ILE 17 -8.915 1.188 -7.857 152 H SER 18 H SER 18 -12.374 0.550 -11.176 153 HA SER 18 HA SER 18 -11.700 -0.268 -13.763 154 HB2 SER 18 2HB SER 18 -12.611 -1.975 -12.484 155 HB3 SER 18 3HB SER 18 -13.909 -0.957 -11.861 156 HG SER 18 HG SER 18 -15.056 -1.285 -13.652 157 H VAL 19 H VAL 19 -14.758 1.206 -12.660 158 HA VAL 19 HA VAL 19 -15.863 1.552 -15.214 159 HB VAL 19 HB VAL 19 -17.257 1.682 -13.241 160 HG11 VAL 19 1HG1 VAL 19 -17.144 3.487 -11.657 161 HG12 VAL 19 2HG1 VAL 19 -15.552 2.735 -11.773 162 HG13 VAL 19 3HG1 VAL 19 -15.863 4.272 -12.580 163 HG21 VAL 19 3HG2 VAL 19 -18.005 2.869 -15.244 164 HG22 VAL 19 1HG2 VAL 19 -18.549 3.684 -13.777 165 HG23 VAL 19 2HG2 VAL 19 -17.185 4.329 -14.690 166 H LYS 20 H LYS 20 -13.835 3.665 -13.242 167 HA LYS 20 HA LYS 20 -14.018 5.964 -14.855 168 HB2 LYS 20 2HB LYS 20 -13.135 5.938 -12.536 169 HB3 LYS 20 3HB LYS 20 -11.706 5.089 -13.112 170 HG2 LYS 20 2HG LYS 20 -11.096 6.989 -14.486 171 HG3 LYS 20 3HG LYS 20 -12.565 7.838 -13.998 172 HD2 LYS 20 2HD LYS 20 -11.776 7.744 -11.647 173 HD3 LYS 20 3HD LYS 20 -10.270 7.019 -12.216 174 HE2 LYS 20 2HE LYS 20 -11.312 9.697 -13.126 175 HE3 LYS 20 3HE LYS 20 -10.151 9.483 -11.817 176 HZ1 LYS 20 3HZ LYS 20 -8.619 8.469 -13.366 177 HZ2 LYS 20 1HZ LYS 20 -9.072 9.999 -13.928 178 HZ3 LYS 20 2HZ LYS 20 -9.739 8.611 -14.626 179 H LYS 21 H LYS 21 -11.829 3.195 -14.924 180 HA LYS 21 HA LYS 21 -10.043 4.174 -16.861 181 HB2 LYS 21 2HB LYS 21 -10.790 1.442 -15.887 182 HB3 LYS 21 3HB LYS 21 -9.757 1.604 -17.301 183 HG2 LYS 21 2HG LYS 21 -9.158 2.888 -14.648 184 HG3 LYS 21 3HG LYS 21 -8.554 1.302 -15.133 185 HD2 LYS 21 2HD LYS 21 -8.127 3.608 -16.968 186 HD3 LYS 21 3HD LYS 21 -7.132 3.494 -15.515 187 HE2 LYS 21 2HE LYS 21 -5.865 2.346 -17.073 188 HE3 LYS 21 3HE LYS 21 -6.750 1.045 -16.278 189 HZ1 LYS 21 3HZ LYS 21 -7.857 2.297 -18.699 190 HZ2 LYS 21 1HZ LYS 21 -8.106 0.738 -18.092 191 HZ3 LYS 21 2HZ LYS 21 -6.642 1.129 -18.843 192 H LYS 22 H LYS 22 -13.062 2.360 -17.146 193 HA LYS 22 HA LYS 22 -12.945 1.886 -19.916 194 HB2 LYS 22 2HB LYS 22 -15.397 2.239 -18.182 195 HB3 LYS 22 3HB LYS 22 -15.353 1.476 -19.766 196 HG2 LYS 22 2HG LYS 22 -13.603 0.398 -17.616 197 HG3 LYS 22 3HG LYS 22 -15.333 0.051 -17.564 198 HD2 LYS 22 2HD LYS 22 -15.275 -1.207 -19.484 199 HD3 LYS 22 3HD LYS 22 -13.872 -0.352 -20.130 200 HE2 LYS 22 2HE LYS 22 -12.387 -1.526 -18.719 201 HE3 LYS 22 3HE LYS 22 -13.701 -2.134 -17.714 202 HZ1 LYS 22 3HZ LYS 22 -14.392 -3.140 -20.070 203 HZ2 LYS 22 1HZ LYS 22 -13.400 -3.960 -18.971 204 HZ3 LYS 22 2HZ LYS 22 -12.712 -3.113 -20.264 205 H GLN 23 H GLN 23 -13.559 4.740 -18.123 206 HA GLN 23 HA GLN 23 -15.061 6.091 -20.169 207 HB2 GLN 23 2HB GLN 23 -13.642 7.215 -17.748 208 HB3 GLN 23 3HB GLN 23 -14.802 8.074 -18.752 209 HG2 GLN 23 2HG GLN 23 -15.685 5.519 -17.552 210 HG3 GLN 23 3HG GLN 23 -15.468 6.893 -16.469 211 HE21 GLN 23 1HE2 GLN 23 -17.842 6.417 -16.259 212 HE22 GLN 23 2HE2 GLN 23 -18.905 7.256 -17.331 213 H GLU 24 H GLU 24 -13.694 5.824 -21.996 214 HA GLU 24 HA GLU 24 -11.023 6.857 -22.010 215 HB2 GLU 24 2HB GLU 24 -12.155 5.047 -23.542 216 HB3 GLU 24 3HB GLU 24 -12.609 6.440 -24.514 217 HG2 GLU 24 2HG GLU 24 -10.099 7.048 -24.382 218 HG3 GLU 24 3HG GLU 24 -9.889 5.359 -23.922 219 H GLN 25 H GLN 25 -10.495 8.929 -22.057 220 HA GLN 25 HA GLN 25 -12.414 10.976 -22.596 221 HB2 GLN 25 2HB GLN 25 -9.547 10.881 -21.802 222 HB3 GLN 25 3HB GLN 25 -10.143 12.369 -22.526 223 HG2 GLN 25 2HG GLN 25 -11.595 12.794 -20.782 224 HG3 GLN 25 3HG GLN 25 -11.624 11.110 -20.261 225 HE21 GLN 25 1HE2 GLN 25 -10.962 11.261 -18.209 226 HE22 GLN 25 2HE2 GLN 25 -9.454 11.934 -17.703 227 HA PRO 26 HA PRO 26 -11.819 11.756 -26.870 228 HB2 PRO 26 2HB PRO 26 -11.865 14.468 -26.986 229 HB3 PRO 26 3HB PRO 26 -13.306 13.495 -26.665 230 HG2 PRO 26 2HG PRO 26 -11.536 14.953 -24.740 231 HG3 PRO 26 3HG PRO 26 -13.306 14.857 -24.779 232 HD2 PRO 26 2HD PRO 26 -11.803 13.358 -23.098 233 HD3 PRO 26 3HD PRO 26 -13.341 12.784 -23.772 Start of MODEL 2 1 H1 VAL 1 H VAL 1 1.807 0.001 0.856 2 HA VAL 1 HA VAL 1 1.735 0.811 -1.856 3 HB VAL 1 HB VAL 1 3.955 -0.596 -0.364 4 HG11 VAL 1 1HG1 VAL 1 4.818 -0.763 -2.431 5 HG12 VAL 1 2HG1 VAL 1 3.707 0.433 -3.102 6 HG13 VAL 1 3HG1 VAL 1 5.154 0.958 -2.240 7 HG21 VAL 1 3HG2 VAL 1 4.699 2.012 -0.602 8 HG22 VAL 1 1HG2 VAL 1 2.960 2.162 -0.352 9 HG23 VAL 1 2HG2 VAL 1 3.950 1.307 0.831 10 H SER 2 H SER 2 1.616 -2.296 -0.283 11 HA SER 2 HA SER 2 2.169 -3.798 -2.677 12 HB2 SER 2 2HB SER 2 2.015 -5.714 -1.349 13 HB3 SER 2 3HB SER 2 2.577 -4.499 -0.202 14 HG SER 2 HG SER 2 0.582 -4.391 0.681 15 H VAL 3 H VAL 3 -0.577 -2.352 -1.236 16 HA VAL 3 HA VAL 3 -2.520 -4.077 -2.495 17 HB VAL 3 HB VAL 3 -2.966 -2.925 -0.329 18 HG11 VAL 3 1HG1 VAL 3 -1.866 -0.770 -1.083 19 HG12 VAL 3 2HG1 VAL 3 -3.358 -0.429 -1.960 20 HG13 VAL 3 3HG1 VAL 3 -3.387 -0.606 -0.205 21 HG21 VAL 3 3HG2 VAL 3 -4.897 -2.166 -2.518 22 HG22 VAL 3 1HG2 VAL 3 -4.768 -3.775 -1.808 23 HG23 VAL 3 2HG2 VAL 3 -5.268 -2.409 -0.811 24 H ASP 4 H ASP 4 -0.765 -1.231 -3.307 25 HA ASP 4 HA ASP 4 -2.496 -0.026 -5.145 26 HB2 ASP 4 2HB ASP 4 0.188 0.309 -4.302 27 HB3 ASP 4 3HB ASP 4 0.212 0.200 -6.060 28 HA PRO 5 HA PRO 5 -0.358 -2.754 -8.531 29 HB2 PRO 5 2HB PRO 5 1.025 -4.919 -7.653 30 HB3 PRO 5 3HB PRO 5 1.770 -3.334 -7.889 31 HG2 PRO 5 2HG PRO 5 0.800 -4.614 -5.363 32 HG3 PRO 5 3HG PRO 5 2.291 -3.698 -5.652 33 HD2 PRO 5 2HD PRO 5 0.118 -2.606 -4.463 34 HD3 PRO 5 3HD PRO 5 1.222 -1.663 -5.484 35 H PHE 6 H PHE 6 -1.634 -4.230 -5.617 36 HA PHE 6 HA PHE 6 -2.587 -6.627 -6.724 37 HB2 PHE 6 2HB PHE 6 -2.420 -5.915 -4.248 38 HB3 PHE 6 3HB PHE 6 -3.995 -5.170 -4.500 39 HD1 PHE 6 HD1 PHE 6 -2.157 -8.363 -4.492 40 HD2 PHE 6 HD2 PHE 6 -5.969 -6.474 -4.610 41 HE1 PHE 6 HE1 PHE 6 -3.241 -10.532 -4.074 42 HE2 PHE 6 HE2 PHE 6 -7.059 -8.639 -4.191 43 HZ PHE 6 HZ PHE 6 -5.695 -10.672 -3.922 44 H TYR 7 H TYR 7 -4.349 -3.597 -6.064 45 HA TYR 7 HA TYR 7 -6.667 -4.470 -7.504 46 HB2 TYR 7 2HB TYR 7 -7.687 -2.611 -6.671 47 HB3 TYR 7 3HB TYR 7 -6.325 -2.654 -5.558 48 HD1 TYR 7 HD1 TYR 7 -4.457 -1.081 -5.817 49 HD2 TYR 7 HD2 TYR 7 -7.877 -0.888 -8.341 50 HE1 TYR 7 HE1 TYR 7 -3.799 1.181 -6.525 51 HE2 TYR 7 HE2 TYR 7 -7.228 1.374 -9.057 52 HH TYR 7 HH TYR 7 -4.167 2.699 -8.413 53 H GLU 8 H GLU 8 -3.715 -2.963 -8.345 54 HA GLU 8 HA GLU 8 -4.663 -1.617 -10.696 55 HB2 GLU 8 2HB GLU 8 -2.028 -2.109 -9.418 56 HB3 GLU 8 3HB GLU 8 -2.027 -1.790 -11.147 57 HG2 GLU 8 2HG GLU 8 -3.427 0.008 -9.199 58 HG3 GLU 8 3HG GLU 8 -1.717 0.190 -9.586 59 H MET 9 H MET 9 -3.051 -4.686 -10.005 60 HA MET 9 HA MET 9 -2.912 -5.421 -12.789 61 HB2 MET 9 2HB MET 9 -1.956 -7.499 -12.008 62 HB3 MET 9 3HB MET 9 -1.213 -6.161 -11.141 63 HG2 MET 9 2HG MET 9 -3.039 -6.663 -9.358 64 HG3 MET 9 3HG MET 9 -3.117 -8.232 -10.157 65 HE1 MET 9 3HE MET 9 -2.057 -9.935 -9.780 66 HE2 MET 9 1HE MET 9 -0.297 -10.052 -9.770 67 HE3 MET 9 2HE MET 9 -1.196 -10.162 -8.257 68 H LEU 10 H LEU 10 -4.919 -6.224 -10.000 69 HA LEU 10 HA LEU 10 -6.461 -8.176 -11.452 70 HB2 LEU 10 2HB LEU 10 -6.672 -6.940 -8.727 71 HB3 LEU 10 3HB LEU 10 -7.945 -7.978 -9.366 72 HG LEU 10 HG LEU 10 -5.081 -8.863 -9.066 73 HD11 LEU 10 1HD1 LEU 10 -5.730 -9.967 -7.025 74 HD12 LEU 10 2HD1 LEU 10 -7.379 -9.360 -7.180 75 HD13 LEU 10 3HD1 LEU 10 -6.051 -8.239 -6.883 76 HD21 LEU 10 3HD2 LEU 10 -6.269 -10.192 -10.649 77 HD22 LEU 10 1HD2 LEU 10 -7.676 -10.299 -9.591 78 HD23 LEU 10 2HD2 LEU 10 -6.176 -11.113 -9.147 79 H ALA 11 H ALA 11 -8.203 -7.815 -12.660 80 HA ALA 11 HA ALA 11 -9.163 -5.123 -13.025 81 HB1 ALA 11 1HB ALA 11 -9.167 -6.160 -15.051 82 HB2 ALA 11 2HB ALA 11 -9.576 -7.735 -14.370 83 HB3 ALA 11 3HB ALA 11 -10.826 -6.506 -14.561 84 H ALA 12 H ALA 12 -10.055 -7.843 -11.139 85 HA ALA 12 HA ALA 12 -12.834 -7.153 -10.860 86 HB1 ALA 12 1HB ALA 12 -11.271 -9.399 -10.305 87 HB2 ALA 12 2HB ALA 12 -11.845 -8.828 -8.737 88 HB3 ALA 12 3HB ALA 12 -13.000 -9.202 -10.017 89 H ARG 13 H ARG 13 -9.899 -6.772 -8.913 90 HA ARG 13 HA ARG 13 -11.091 -5.704 -6.617 91 HB2 ARG 13 2HB ARG 13 -8.400 -5.920 -7.722 92 HB3 ARG 13 3HB ARG 13 -8.627 -4.449 -6.785 93 HG2 ARG 13 2HG ARG 13 -9.325 -7.186 -5.756 94 HG3 ARG 13 3HG ARG 13 -7.752 -6.423 -5.513 95 HD2 ARG 13 2HD ARG 13 -9.263 -4.432 -4.643 96 HD3 ARG 13 3HD ARG 13 -10.402 -5.744 -4.348 97 HE ARG 13 HE ARG 13 -9.055 -6.499 -2.644 98 HH11 ARG 13 1HH1 ARG 13 -7.359 -4.099 -4.509 99 HH12 ARG 13 2HH1 ARG 13 -6.050 -3.960 -3.383 100 HH21 ARG 13 1HH2 ARG 13 -7.338 -6.325 -1.153 101 HH22 ARG 13 2HH2 ARG 13 -6.039 -5.227 -1.474 102 H LYS 14 H LYS 14 -10.612 -4.349 -9.727 103 HA LYS 14 HA LYS 14 -10.538 -1.603 -9.009 104 HB2 LYS 14 2HB LYS 14 -11.402 -2.927 -11.586 105 HB3 LYS 14 3HB LYS 14 -11.118 -1.202 -11.386 106 HG2 LYS 14 2HG LYS 14 -8.790 -1.572 -10.961 107 HG3 LYS 14 3HG LYS 14 -9.028 -3.321 -10.937 108 HD2 LYS 14 2HD LYS 14 -8.197 -2.958 -13.070 109 HD3 LYS 14 3HD LYS 14 -9.942 -2.976 -13.341 110 HE2 LYS 14 2HE LYS 14 -9.247 -1.110 -14.533 111 HE3 LYS 14 3HE LYS 14 -9.789 -0.422 -13.003 112 HZ1 LYS 14 3HZ LYS 14 -7.586 -0.142 -12.283 113 HZ2 LYS 14 1HZ LYS 14 -7.596 0.402 -13.885 114 HZ3 LYS 14 2HZ LYS 14 -6.957 -1.119 -13.513 115 H LYS 15 H LYS 15 -12.142 -0.932 -7.676 116 HA LYS 15 HA LYS 15 -14.890 -1.690 -8.116 117 HB2 LYS 15 2HB LYS 15 -13.554 0.170 -6.152 118 HB3 LYS 15 3HB LYS 15 -15.297 -0.055 -6.216 119 HG2 LYS 15 2HG LYS 15 -15.179 -1.943 -5.058 120 HG3 LYS 15 3HG LYS 15 -13.909 -2.586 -6.101 121 HD2 LYS 15 2HD LYS 15 -13.002 -2.453 -3.908 122 HD3 LYS 15 3HD LYS 15 -12.285 -1.136 -4.839 123 HE2 LYS 15 2HE LYS 15 -14.715 -0.235 -3.627 124 HE3 LYS 15 3HE LYS 15 -13.694 -0.983 -2.400 125 HZ1 LYS 15 3HZ LYS 15 -13.216 1.417 -4.005 126 HZ2 LYS 15 1HZ LYS 15 -11.876 0.477 -3.576 127 HZ3 LYS 15 2HZ LYS 15 -12.876 1.123 -2.374 128 H ARG 16 H ARG 16 -13.789 1.602 -7.463 129 HA ARG 16 HA ARG 16 -15.698 2.642 -9.360 130 HB2 ARG 16 2HB ARG 16 -14.907 3.605 -7.025 131 HB3 ARG 16 3HB ARG 16 -13.678 4.380 -8.015 132 HG2 ARG 16 2HG ARG 16 -16.444 4.632 -8.989 133 HG3 ARG 16 3HG ARG 16 -16.076 5.463 -7.476 134 HD2 ARG 16 2HD ARG 16 -13.922 5.969 -9.214 135 HD3 ARG 16 3HD ARG 16 -15.392 6.192 -10.162 136 HE ARG 16 HE ARG 16 -15.892 8.048 -8.905 137 HH11 ARG 16 1HH1 ARG 16 -13.320 6.264 -7.383 138 HH12 ARG 16 2HH1 ARG 16 -12.969 7.503 -6.224 139 HH21 ARG 16 1HH2 ARG 16 -15.440 9.688 -7.385 140 HH22 ARG 16 2HH2 ARG 16 -14.176 9.451 -6.226 141 H ILE 17 H ILE 17 -12.353 1.865 -9.327 142 HA ILE 17 HA ILE 17 -11.515 3.653 -11.387 143 HB ILE 17 HB ILE 17 -9.584 1.956 -11.585 144 HG12 ILE 17 2HG1 ILE 17 -11.259 0.351 -10.142 145 HG13 ILE 17 3HG1 ILE 17 -9.514 0.137 -10.245 146 HG21 ILE 17 1HG2 ILE 17 -9.258 4.031 -10.475 147 HG22 ILE 17 2HG2 ILE 17 -10.176 3.495 -9.068 148 HG23 ILE 17 3HG2 ILE 17 -8.605 2.776 -9.423 149 HD11 ILE 17 3HD1 ILE 17 -9.173 1.207 -8.167 150 HD12 ILE 17 1HD1 ILE 17 -10.839 1.784 -8.112 151 HD13 ILE 17 2HD1 ILE 17 -10.495 0.062 -7.940 152 H SER 18 H SER 18 -12.752 0.361 -11.308 153 HA SER 18 HA SER 18 -12.162 -0.397 -13.933 154 HB2 SER 18 2HB SER 18 -12.898 -2.176 -12.651 155 HB3 SER 18 3HB SER 18 -14.199 -1.242 -11.912 156 HG SER 18 HG SER 18 -15.448 -1.573 -13.646 157 H VAL 19 H VAL 19 -15.251 0.863 -12.664 158 HA VAL 19 HA VAL 19 -16.505 1.156 -15.152 159 HB VAL 19 HB VAL 19 -17.799 1.190 -13.109 160 HG11 VAL 19 1HG1 VAL 19 -16.535 3.857 -12.498 161 HG12 VAL 19 2HG1 VAL 19 -17.713 2.986 -11.515 162 HG13 VAL 19 3HG1 VAL 19 -16.086 2.338 -11.724 163 HG21 VAL 19 3HG2 VAL 19 -19.355 2.805 -13.720 164 HG22 VAL 19 1HG2 VAL 19 -18.113 3.952 -14.223 165 HG23 VAL 19 2HG2 VAL 19 -18.460 2.536 -15.216 166 H LYS 20 H LYS 20 -14.513 3.383 -13.272 167 HA LYS 20 HA LYS 20 -14.916 5.631 -14.966 168 HB2 LYS 20 2HB LYS 20 -14.157 5.848 -12.637 169 HB3 LYS 20 3HB LYS 20 -12.653 5.034 -13.049 170 HG2 LYS 20 2HG LYS 20 -13.303 7.409 -14.663 171 HG3 LYS 20 3HG LYS 20 -12.940 7.703 -12.961 172 HD2 LYS 20 2HD LYS 20 -11.138 5.894 -14.483 173 HD3 LYS 20 3HD LYS 20 -11.038 7.627 -14.805 174 HE2 LYS 20 2HE LYS 20 -10.382 8.117 -12.628 175 HE3 LYS 20 3HE LYS 20 -10.999 6.592 -11.995 176 HZ1 LYS 20 3HZ LYS 20 -8.999 6.106 -13.934 177 HZ2 LYS 20 1HZ LYS 20 -9.029 5.660 -12.303 178 HZ3 LYS 20 2HZ LYS 20 -8.403 7.164 -12.757 179 H LYS 21 H LYS 21 -12.976 2.818 -15.200 180 HA LYS 21 HA LYS 21 -10.986 3.934 -16.951 181 HB2 LYS 21 2HB LYS 21 -10.558 1.971 -15.480 182 HB3 LYS 21 3HB LYS 21 -11.680 1.032 -16.456 183 HG2 LYS 21 2HG LYS 21 -9.414 0.538 -17.103 184 HG3 LYS 21 3HG LYS 21 -10.237 1.384 -18.416 185 HD2 LYS 21 2HD LYS 21 -9.070 3.374 -18.017 186 HD3 LYS 21 3HD LYS 21 -8.576 2.864 -16.401 187 HE2 LYS 21 2HE LYS 21 -7.357 0.952 -17.717 188 HE3 LYS 21 3HE LYS 21 -7.477 2.083 -19.064 189 HZ1 LYS 21 3HZ LYS 21 -5.390 2.339 -17.878 190 HZ2 LYS 21 1HZ LYS 21 -6.217 2.654 -16.436 191 HZ3 LYS 21 2HZ LYS 21 -6.329 3.738 -17.729 192 H LYS 22 H LYS 22 -13.889 1.939 -17.331 193 HA LYS 22 HA LYS 22 -13.676 1.489 -20.091 194 HB2 LYS 22 2HB LYS 22 -16.076 1.623 -18.266 195 HB3 LYS 22 3HB LYS 22 -16.186 1.164 -19.960 196 HG2 LYS 22 2HG LYS 22 -14.903 -0.789 -19.614 197 HG3 LYS 22 3HG LYS 22 -14.407 -0.262 -18.004 198 HD2 LYS 22 2HD LYS 22 -16.523 -0.669 -17.093 199 HD3 LYS 22 3HD LYS 22 -17.299 -0.697 -18.678 200 HE2 LYS 22 2HE LYS 22 -17.171 -2.945 -17.858 201 HE3 LYS 22 3HE LYS 22 -16.030 -2.775 -19.192 202 HZ1 LYS 22 3HZ LYS 22 -15.101 -3.990 -17.291 203 HZ2 LYS 22 1HZ LYS 22 -15.305 -2.623 -16.316 204 HZ3 LYS 22 2HZ LYS 22 -14.235 -2.576 -17.625 205 H GLN 23 H GLN 23 -14.475 4.316 -18.329 206 HA GLN 23 HA GLN 23 -16.058 5.614 -20.302 207 HB2 GLN 23 2HB GLN 23 -14.398 6.815 -18.079 208 HB3 GLN 23 3HB GLN 23 -15.639 7.654 -19.000 209 HG2 GLN 23 2HG GLN 23 -16.420 5.158 -17.612 210 HG3 GLN 23 3HG GLN 23 -16.105 6.583 -16.623 211 HE21 GLN 23 1HE2 GLN 23 -18.530 5.805 -16.367 212 HE22 GLN 23 2HE2 GLN 23 -19.654 6.721 -17.306 213 H GLU 24 H GLU 24 -15.378 7.612 -21.439 214 HA GLU 24 HA GLU 24 -13.124 7.103 -23.071 215 HB2 GLU 24 2HB GLU 24 -15.254 8.421 -23.640 216 HB3 GLU 24 3HB GLU 24 -14.483 9.778 -22.831 217 HG2 GLU 24 2HG GLU 24 -12.793 9.927 -24.427 218 HG3 GLU 24 3HG GLU 24 -13.104 8.305 -25.041 219 H GLN 25 H GLN 25 -11.053 7.574 -22.768 220 HA GLN 25 HA GLN 25 -10.225 9.036 -20.430 221 HB2 GLN 25 2HB GLN 25 -8.032 8.311 -20.926 222 HB3 GLN 25 3HB GLN 25 -9.081 6.972 -21.374 223 HG2 GLN 25 2HG GLN 25 -8.976 8.190 -23.731 224 HG3 GLN 25 3HG GLN 25 -7.440 8.753 -23.073 225 HE21 GLN 25 1HE2 GLN 25 -5.823 7.558 -23.744 226 HE22 GLN 25 2HE2 GLN 25 -5.838 5.846 -23.970 227 HA PRO 26 HA PRO 26 -9.598 13.008 -22.187 228 HB2 PRO 26 2HB PRO 26 -7.433 13.862 -20.790 229 HB3 PRO 26 3HB PRO 26 -9.043 13.721 -20.075 230 HG2 PRO 26 2HG PRO 26 -6.724 11.836 -19.906 231 HG3 PRO 26 3HG PRO 26 -7.836 12.359 -18.628 232 HD2 PRO 26 2HD PRO 26 -8.082 9.974 -19.887 233 HD3 PRO 26 3HD PRO 26 -9.482 10.883 -19.282 Start of MODEL 3 1 H1 VAL 1 H VAL 1 2.293 0.395 0.161 2 HA VAL 1 HA VAL 1 2.330 0.606 -2.639 3 HB VAL 1 HB VAL 1 4.609 -0.275 -2.532 4 HG11 VAL 1 1HG1 VAL 1 5.469 1.596 -1.589 5 HG12 VAL 1 2HG1 VAL 1 3.770 2.072 -1.554 6 HG13 VAL 1 3HG1 VAL 1 4.532 1.413 -0.106 7 HG21 VAL 1 3HG2 VAL 1 4.524 -2.048 -1.008 8 HG22 VAL 1 1HG2 VAL 1 5.484 -0.818 -0.185 9 HG23 VAL 1 2HG2 VAL 1 3.791 -1.052 0.249 10 H SER 2 H SER 2 1.867 -2.125 -0.509 11 HA SER 2 HA SER 2 2.188 -4.092 -2.588 12 HB2 SER 2 2HB SER 2 1.289 -4.213 0.285 13 HB3 SER 2 3HB SER 2 1.191 -5.621 -0.772 14 HG SER 2 HG SER 2 3.273 -5.862 -0.619 15 H VAL 3 H VAL 3 -0.339 -2.095 -1.434 16 HA VAL 3 HA VAL 3 -2.496 -3.784 -2.351 17 HB VAL 3 HB VAL 3 -3.962 -1.910 -1.788 18 HG11 VAL 3 1HG1 VAL 3 -1.870 -2.614 0.260 19 HG12 VAL 3 2HG1 VAL 3 -3.341 -1.717 0.645 20 HG13 VAL 3 3HG1 VAL 3 -3.448 -3.363 0.019 21 HG21 VAL 3 3HG2 VAL 3 -3.014 0.100 -2.222 22 HG22 VAL 3 1HG2 VAL 3 -2.563 -0.003 -0.520 23 HG23 VAL 3 2HG2 VAL 3 -1.398 -0.441 -1.769 24 H ASP 4 H ASP 4 -0.448 -1.356 -3.674 25 HA ASP 4 HA ASP 4 -2.072 -0.313 -5.699 26 HB2 ASP 4 2HB ASP 4 0.657 -0.154 -4.940 27 HB3 ASP 4 3HB ASP 4 0.616 -0.568 -6.652 28 HA PRO 5 HA PRO 5 -0.338 -3.843 -8.529 29 HB2 PRO 5 2HB PRO 5 0.804 -5.959 -7.270 30 HB3 PRO 5 3HB PRO 5 1.722 -4.542 -7.793 31 HG2 PRO 5 2HG PRO 5 0.667 -5.218 -5.074 32 HG3 PRO 5 3HG PRO 5 2.247 -4.552 -5.528 33 HD2 PRO 5 2HD PRO 5 0.241 -3.014 -4.558 34 HD3 PRO 5 3HD PRO 5 1.425 -2.409 -5.735 35 H PHE 6 H PHE 6 -1.700 -4.618 -5.389 36 HA PHE 6 HA PHE 6 -2.956 -7.040 -6.054 37 HB2 PHE 6 2HB PHE 6 -2.628 -5.911 -3.740 38 HB3 PHE 6 3HB PHE 6 -4.140 -5.086 -4.102 39 HD1 PHE 6 HD2 PHE 6 -2.572 -8.306 -3.358 40 HD2 PHE 6 HD1 PHE 6 -6.231 -6.276 -4.139 41 HE1 PHE 6 HE2 PHE 6 -3.826 -10.261 -2.545 42 HE2 PHE 6 HE1 PHE 6 -7.491 -8.227 -3.326 43 HZ PHE 6 HZ PHE 6 -6.289 -10.224 -2.529 44 H TYR 7 H TYR 7 -4.342 -3.757 -5.891 45 HA TYR 7 HA TYR 7 -6.789 -4.574 -7.132 46 HB2 TYR 7 2HB TYR 7 -7.556 -2.500 -6.602 47 HB3 TYR 7 3HB TYR 7 -6.151 -2.497 -5.543 48 HD1 TYR 7 HD1 TYR 7 -4.114 -1.254 -6.192 49 HD2 TYR 7 HD2 TYR 7 -7.680 -1.053 -8.504 50 HE1 TYR 7 HE1 TYR 7 -3.261 0.757 -7.322 51 HE2 TYR 7 HE2 TYR 7 -6.837 0.958 -9.641 52 HH TYR 7 HH TYR 7 -4.582 1.985 -10.135 53 H GLU 8 H GLU 8 -3.710 -3.643 -8.269 54 HA GLU 8 HA GLU 8 -4.561 -2.586 -10.797 55 HB2 GLU 8 2HB GLU 8 -1.968 -3.222 -9.497 56 HB3 GLU 8 3HB GLU 8 -1.992 -3.203 -11.255 57 HG2 GLU 8 2HG GLU 8 -3.033 -0.924 -9.604 58 HG3 GLU 8 3HG GLU 8 -1.346 -1.052 -10.099 59 H MET 9 H MET 9 -3.339 -5.691 -9.627 60 HA MET 9 HA MET 9 -3.428 -6.889 -12.249 61 HB2 MET 9 2HB MET 9 -2.748 -8.936 -11.123 62 HB3 MET 9 3HB MET 9 -1.755 -7.590 -10.583 63 HG2 MET 9 2HG MET 9 -3.504 -7.452 -8.652 64 HG3 MET 9 3HG MET 9 -3.836 -9.122 -9.106 65 HE1 MET 9 3HE MET 9 -2.276 -10.835 -6.951 66 HE2 MET 9 1HE MET 9 -2.850 -10.892 -8.618 67 HE3 MET 9 2HE MET 9 -1.151 -11.201 -8.261 68 H LEU 10 H LEU 10 -5.374 -6.969 -9.302 69 HA LEU 10 HA LEU 10 -7.234 -8.887 -10.384 70 HB2 LEU 10 2HB LEU 10 -7.080 -7.280 -7.863 71 HB3 LEU 10 3HB LEU 10 -8.561 -8.133 -8.293 72 HG LEU 10 HG LEU 10 -6.367 -9.948 -8.489 73 HD11 LEU 10 1HD1 LEU 10 -5.921 -9.906 -5.944 74 HD12 LEU 10 2HD1 LEU 10 -6.416 -8.217 -6.049 75 HD13 LEU 10 3HD1 LEU 10 -5.037 -8.792 -6.986 76 HD21 LEU 10 3HD2 LEU 10 -8.616 -10.670 -8.134 77 HD22 LEU 10 1HD2 LEU 10 -8.750 -9.710 -6.660 78 HD23 LEU 10 2HD2 LEU 10 -7.677 -11.110 -6.706 79 H ALA 11 H ALA 11 -9.001 -8.476 -11.544 80 HA ALA 11 HA ALA 11 -9.614 -5.762 -12.296 81 HB1 ALA 11 1HB ALA 11 -10.331 -6.745 -14.149 82 HB2 ALA 11 2HB ALA 11 -9.983 -8.319 -13.433 83 HB3 ALA 11 3HB ALA 11 -11.580 -7.598 -13.241 84 H ALA 12 H ALA 12 -11.149 -8.320 -10.405 85 HA ALA 12 HA ALA 12 -13.605 -6.989 -9.972 86 HB1 ALA 12 1HB ALA 12 -14.135 -8.946 -9.073 87 HB2 ALA 12 2HB ALA 12 -12.461 -9.466 -9.274 88 HB3 ALA 12 3HB ALA 12 -12.971 -8.699 -7.771 89 H ARG 13 H ARG 13 -10.474 -6.559 -8.638 90 HA ARG 13 HA ARG 13 -11.316 -5.378 -6.162 91 HB2 ARG 13 2HB ARG 13 -8.812 -6.086 -7.442 92 HB3 ARG 13 3HB ARG 13 -8.723 -4.493 -6.701 93 HG2 ARG 13 2HG ARG 13 -9.530 -7.045 -5.321 94 HG3 ARG 13 3HG ARG 13 -7.979 -6.218 -5.164 95 HD2 ARG 13 2HD ARG 13 -9.477 -4.185 -4.474 96 HD3 ARG 13 3HD ARG 13 -10.665 -5.438 -4.121 97 HE ARG 13 HE ARG 13 -9.401 -6.099 -2.316 98 HH11 ARG 13 1HH1 ARG 13 -7.580 -3.877 -4.283 99 HH12 ARG 13 2HH1 ARG 13 -6.314 -3.679 -3.117 100 HH21 ARG 13 1HH2 ARG 13 -7.740 -5.847 -0.773 101 HH22 ARG 13 2HH2 ARG 13 -6.406 -4.801 -1.121 102 H LYS 14 H LYS 14 -10.297 -4.190 -9.326 103 HA LYS 14 HA LYS 14 -10.131 -1.465 -8.712 104 HB2 LYS 14 2HB LYS 14 -10.920 -2.791 -11.313 105 HB3 LYS 14 3HB LYS 14 -10.472 -1.099 -11.140 106 HG2 LYS 14 2HG LYS 14 -8.238 -1.707 -10.481 107 HG3 LYS 14 3HG LYS 14 -8.668 -3.419 -10.485 108 HD2 LYS 14 2HD LYS 14 -7.641 -3.193 -12.539 109 HD3 LYS 14 3HD LYS 14 -9.337 -2.953 -12.965 110 HE2 LYS 14 2HE LYS 14 -8.989 -0.511 -12.818 111 HE3 LYS 14 3HE LYS 14 -7.281 -0.798 -12.487 112 HZ1 LYS 14 3HZ LYS 14 -6.864 -1.148 -14.633 113 HZ2 LYS 14 1HZ LYS 14 -8.381 -0.464 -14.943 114 HZ3 LYS 14 2HZ LYS 14 -8.216 -2.144 -14.843 115 H LYS 15 H LYS 15 -11.762 -0.601 -7.528 116 HA LYS 15 HA LYS 15 -14.529 -1.084 -8.190 117 HB2 LYS 15 2HB LYS 15 -13.174 0.677 -6.149 118 HB3 LYS 15 3HB LYS 15 -14.919 0.636 -6.361 119 HG2 LYS 15 2HG LYS 15 -15.105 -1.225 -5.168 120 HG3 LYS 15 3HG LYS 15 -13.824 -2.024 -6.082 121 HD2 LYS 15 2HD LYS 15 -13.141 -1.915 -3.792 122 HD3 LYS 15 3HD LYS 15 -12.162 -0.764 -4.706 123 HE2 LYS 15 2HE LYS 15 -14.534 0.537 -3.785 124 HE3 LYS 15 3HE LYS 15 -13.762 -0.281 -2.428 125 HZ1 LYS 15 3HZ LYS 15 -11.639 0.820 -3.275 126 HZ2 LYS 15 1HZ LYS 15 -12.767 1.802 -2.484 127 HZ3 LYS 15 2HZ LYS 15 -12.658 1.830 -4.171 128 H ARG 16 H ARG 16 -13.129 2.089 -7.511 129 HA ARG 16 HA ARG 16 -14.761 3.278 -9.572 130 HB2 ARG 16 2HB ARG 16 -12.836 4.393 -7.540 131 HB3 ARG 16 3HB ARG 16 -13.578 5.402 -8.775 132 HG2 ARG 16 2HG ARG 16 -15.234 3.714 -6.934 133 HG3 ARG 16 3HG ARG 16 -14.671 5.320 -6.467 134 HD2 ARG 16 2HD ARG 16 -15.915 6.373 -8.133 135 HD3 ARG 16 3HD ARG 16 -16.100 4.887 -9.063 136 HE ARG 16 HE ARG 16 -17.816 5.826 -7.006 137 HH11 ARG 16 1HH1 ARG 16 -16.475 2.922 -8.381 138 HH12 ARG 16 2HH1 ARG 16 -17.797 1.919 -7.881 139 HH21 ARG 16 1HH2 ARG 16 -19.562 4.517 -6.343 140 HH22 ARG 16 2HH2 ARG 16 -19.553 2.828 -6.723 141 H ILE 17 H ILE 17 -11.532 2.147 -9.258 142 HA ILE 17 HA ILE 17 -10.353 3.770 -11.288 143 HB ILE 17 HB ILE 17 -8.604 1.876 -11.290 144 HG12 ILE 17 2HG1 ILE 17 -10.543 0.502 -9.945 145 HG13 ILE 17 3HG1 ILE 17 -8.829 0.106 -9.902 146 HG21 ILE 17 1HG2 ILE 17 -9.219 3.552 -8.866 147 HG22 ILE 17 2HG2 ILE 17 -7.713 2.660 -9.076 148 HG23 ILE 17 3HG2 ILE 17 -8.143 3.942 -10.208 149 HD11 ILE 17 3HD1 ILE 17 -10.124 1.958 -7.927 150 HD12 ILE 17 1HD1 ILE 17 -10.002 0.216 -7.683 151 HD13 ILE 17 2HD1 ILE 17 -8.539 1.191 -7.828 152 H SER 18 H SER 18 -11.937 0.630 -11.224 153 HA SER 18 HA SER 18 -11.232 -0.274 -13.774 154 HB2 SER 18 2HB SER 18 -12.251 -1.914 -12.491 155 HB3 SER 18 3HB SER 18 -13.513 -0.826 -11.913 156 HG SER 18 HG SER 18 -14.655 -1.787 -13.400 157 H VAL 19 H VAL 19 -14.253 1.351 -12.787 158 HA VAL 19 HA VAL 19 -15.272 1.689 -15.377 159 HB VAL 19 HB VAL 19 -16.712 1.924 -13.447 160 HG11 VAL 19 1HG1 VAL 19 -16.560 3.753 -11.895 161 HG12 VAL 19 2HG1 VAL 19 -14.999 2.931 -11.955 162 HG13 VAL 19 3HG1 VAL 19 -15.223 4.464 -12.799 163 HG21 VAL 19 3HG2 VAL 19 -16.514 4.576 -14.871 164 HG22 VAL 19 1HG2 VAL 19 -17.278 3.132 -15.536 165 HG23 VAL 19 2HG2 VAL 19 -17.942 3.895 -14.091 166 H LYS 20 H LYS 20 -13.208 3.757 -13.395 167 HA LYS 20 HA LYS 20 -13.235 5.979 -15.166 168 HB2 LYS 20 2HB LYS 20 -12.571 5.922 -12.684 169 HB3 LYS 20 3HB LYS 20 -11.009 5.337 -13.242 170 HG2 LYS 20 2HG LYS 20 -10.551 7.553 -13.169 171 HG3 LYS 20 3HG LYS 20 -11.196 7.468 -14.810 172 HD2 LYS 20 2HD LYS 20 -13.100 7.941 -12.573 173 HD3 LYS 20 3HD LYS 20 -12.049 9.270 -13.067 174 HE2 LYS 20 2HE LYS 20 -12.857 8.622 -15.468 175 HE3 LYS 20 3HE LYS 20 -14.196 7.870 -14.601 176 HZ1 LYS 20 3HZ LYS 20 -13.459 10.640 -13.964 177 HZ2 LYS 20 1HZ LYS 20 -14.966 9.878 -13.861 178 HZ3 LYS 20 2HZ LYS 20 -14.350 10.333 -15.369 179 H LYS 21 H LYS 21 -11.597 2.971 -15.183 180 HA LYS 21 HA LYS 21 -9.381 3.826 -16.812 181 HB2 LYS 21 2HB LYS 21 -9.202 1.909 -15.259 182 HB3 LYS 21 3HB LYS 21 -10.389 1.036 -16.219 183 HG2 LYS 21 2HG LYS 21 -8.013 2.050 -17.653 184 HG3 LYS 21 3HG LYS 21 -7.757 0.725 -16.515 185 HD2 LYS 21 2HD LYS 21 -9.053 -0.742 -17.724 186 HD3 LYS 21 3HD LYS 21 -10.015 0.545 -18.455 187 HE2 LYS 21 2HE LYS 21 -7.115 0.391 -19.108 188 HE3 LYS 21 3HE LYS 21 -8.202 -0.788 -19.839 189 HZ1 LYS 21 3HZ LYS 21 -9.568 1.393 -20.341 190 HZ2 LYS 21 1HZ LYS 21 -8.339 0.857 -21.373 191 HZ3 LYS 21 2HZ LYS 21 -8.031 2.097 -20.265 192 H LYS 22 H LYS 22 -12.434 2.109 -17.330 193 HA LYS 22 HA LYS 22 -11.982 1.755 -20.141 194 HB2 LYS 22 2HB LYS 22 -14.476 1.457 -18.458 195 HB3 LYS 22 3HB LYS 22 -14.373 1.030 -20.161 196 HG2 LYS 22 2HG LYS 22 -12.420 -0.487 -19.433 197 HG3 LYS 22 3HG LYS 22 -13.078 -0.283 -17.807 198 HD2 LYS 22 2HD LYS 22 -14.148 -2.203 -18.536 199 HD3 LYS 22 3HD LYS 22 -15.331 -0.950 -18.916 200 HE2 LYS 22 2HE LYS 22 -14.710 -0.954 -21.214 201 HE3 LYS 22 3HE LYS 22 -13.303 -1.967 -20.896 202 HZ1 LYS 22 3HZ LYS 22 -16.109 -2.841 -20.481 203 HZ2 LYS 22 1HZ LYS 22 -14.720 -3.800 -20.378 204 HZ3 LYS 22 2HZ LYS 22 -15.208 -3.176 -21.872 205 H GLN 23 H GLN 23 -13.183 4.277 -18.158 206 HA GLN 23 HA GLN 23 -14.959 5.554 -19.909 207 HB2 GLN 23 2HB GLN 23 -13.273 6.465 -17.610 208 HB3 GLN 23 3HB GLN 23 -14.106 7.660 -18.595 209 HG2 GLN 23 2HG GLN 23 -15.684 5.366 -17.579 210 HG3 GLN 23 3HG GLN 23 -15.193 6.609 -16.428 211 HE21 GLN 23 1HE2 GLN 23 -17.419 7.103 -16.160 212 HE22 GLN 23 2HE2 GLN 23 -18.252 8.074 -17.322 213 H GLU 24 H GLU 24 -14.689 6.738 -21.695 214 HA GLU 24 HA GLU 24 -12.245 6.806 -23.064 215 HB2 GLU 24 2HB GLU 24 -13.352 8.139 -24.705 216 HB3 GLU 24 3HB GLU 24 -14.533 6.994 -24.085 217 HG2 GLU 24 2HG GLU 24 -15.493 8.723 -22.671 218 HG3 GLU 24 3HG GLU 24 -14.290 9.875 -23.246 219 H GLN 25 H GLN 25 -10.765 8.446 -23.458 220 HA GLN 25 HA GLN 25 -10.118 10.120 -21.312 221 HB2 GLN 25 2HB GLN 25 -8.503 11.171 -22.891 222 HB3 GLN 25 3HB GLN 25 -8.411 9.416 -22.852 223 HG2 GLN 25 2HG GLN 25 -8.287 9.866 -25.103 224 HG3 GLN 25 3HG GLN 25 -10.003 9.525 -24.884 225 HE21 GLN 25 1HE2 GLN 25 -7.773 12.282 -24.689 226 HE22 GLN 25 2HE2 GLN 25 -8.811 13.397 -25.503 227 HA PRO 26 HA PRO 26 -12.533 13.745 -21.844 228 HB2 PRO 26 2HB PRO 26 -10.802 15.664 -21.010 229 HB3 PRO 26 3HB PRO 26 -11.578 14.524 -19.905 230 HG2 PRO 26 2HG PRO 26 -8.824 14.451 -21.076 231 HG3 PRO 26 3HG PRO 26 -9.343 14.106 -19.416 232 HD2 PRO 26 2HD PRO 26 -8.811 12.150 -21.211 233 HD3 PRO 26 3HD PRO 26 -10.040 11.973 -19.943 Start of MODEL 4 1 H1 VAL 1 H VAL 1 1.583 -0.220 1.448 2 HA VAL 1 HA VAL 1 1.594 0.678 -1.237 3 HB VAL 1 HB VAL 1 3.520 0.976 0.264 4 HG11 VAL 1 1HG1 VAL 1 3.997 -1.980 -0.090 5 HG12 VAL 1 2HG1 VAL 1 4.971 -0.846 0.849 6 HG13 VAL 1 3HG1 VAL 1 3.333 -1.244 1.369 7 HG21 VAL 1 3HG2 VAL 1 3.626 0.749 -2.335 8 HG22 VAL 1 1HG2 VAL 1 5.115 0.821 -1.393 9 HG23 VAL 1 2HG2 VAL 1 4.515 -0.731 -1.976 10 H SER 2 H SER 2 1.328 -2.454 0.221 11 HA SER 2 HA SER 2 2.046 -3.914 -2.157 12 HB2 SER 2 2HB SER 2 2.373 -4.802 0.169 13 HB3 SER 2 3HB SER 2 0.621 -4.941 0.307 14 HG SER 2 HG SER 2 1.285 -6.901 -0.391 15 H VAL 3 H VAL 3 -0.777 -2.433 -0.913 16 HA VAL 3 HA VAL 3 -2.646 -4.080 -2.373 17 HB VAL 3 HB VAL 3 -4.354 -2.512 -1.611 18 HG11 VAL 3 1HG1 VAL 3 -4.339 -3.152 0.606 19 HG12 VAL 3 2HG1 VAL 3 -3.219 -4.313 -0.108 20 HG13 VAL 3 3HG1 VAL 3 -2.600 -2.916 0.773 21 HG21 VAL 3 3HG2 VAL 3 -3.049 -0.830 0.175 22 HG22 VAL 3 1HG2 VAL 3 -2.066 -0.771 -1.289 23 HG23 VAL 3 2HG2 VAL 3 -3.782 -0.372 -1.362 24 H ASP 4 H ASP 4 -0.764 -1.261 -2.964 25 HA ASP 4 HA ASP 4 -2.308 0.029 -4.909 26 HB2 ASP 4 2HB ASP 4 0.306 0.275 -3.839 27 HB3 ASP 4 3HB ASP 4 0.470 0.213 -5.592 28 HA PRO 5 HA PRO 5 0.046 -2.671 -8.172 29 HB2 PRO 5 2HB PRO 5 1.300 -4.890 -7.236 30 HB3 PRO 5 3HB PRO 5 2.099 -3.319 -7.368 31 HG2 PRO 5 2HG PRO 5 0.891 -4.633 -4.966 32 HG3 PRO 5 3HG PRO 5 2.421 -3.748 -5.106 33 HD2 PRO 5 2HD PRO 5 0.180 -2.630 -4.076 34 HD3 PRO 5 3HD PRO 5 1.388 -1.691 -4.976 35 H PHE 6 H PHE 6 -1.443 -4.248 -5.401 36 HA PHE 6 HA PHE 6 -2.372 -6.569 -6.655 37 HB2 PHE 6 2HB PHE 6 -2.390 -5.915 -4.150 38 HB3 PHE 6 3HB PHE 6 -3.936 -5.155 -4.511 39 HD1 PHE 6 HD1 PHE 6 -2.130 -8.329 -4.256 40 HD2 PHE 6 HD2 PHE 6 -5.888 -6.471 -4.991 41 HE1 PHE 6 HE1 PHE 6 -3.254 -10.501 -3.982 42 HE2 PHE 6 HE2 PHE 6 -7.018 -8.639 -4.717 43 HZ PHE 6 HZ PHE 6 -5.701 -10.658 -4.211 44 H TYR 7 H TYR 7 -4.210 -3.589 -5.961 45 HA TYR 7 HA TYR 7 -6.394 -4.352 -7.623 46 HB2 TYR 7 2HB TYR 7 -7.440 -2.515 -6.791 47 HB3 TYR 7 3HB TYR 7 -6.130 -2.568 -5.617 48 HD1 TYR 7 HD1 TYR 7 -4.183 -1.041 -5.874 49 HD2 TYR 7 HD2 TYR 7 -7.624 -0.730 -8.358 50 HE1 TYR 7 HE1 TYR 7 -3.495 1.227 -6.534 51 HE2 TYR 7 HE2 TYR 7 -6.944 1.538 -9.025 52 HH TYR 7 HH TYR 7 -4.752 3.349 -7.412 53 H GLU 8 H GLU 8 -3.367 -2.858 -8.206 54 HA GLU 8 HA GLU 8 -4.102 -1.425 -10.570 55 HB2 GLU 8 2HB GLU 8 -1.582 -2.076 -9.146 56 HB3 GLU 8 3HB GLU 8 -1.448 -1.726 -10.863 57 HG2 GLU 8 2HG GLU 8 -2.840 0.096 -8.923 58 HG3 GLU 8 3HG GLU 8 -1.125 0.222 -9.312 59 H MET 9 H MET 9 -2.652 -4.583 -9.905 60 HA MET 9 HA MET 9 -2.395 -5.228 -12.702 61 HB2 MET 9 2HB MET 9 -1.529 -7.342 -11.966 62 HB3 MET 9 3HB MET 9 -0.836 -6.087 -10.948 63 HG2 MET 9 2HG MET 9 -2.498 -6.615 -9.211 64 HG3 MET 9 3HG MET 9 -3.110 -7.919 -10.226 65 HE1 MET 9 3HE MET 9 0.401 -6.528 -9.354 66 HE2 MET 9 1HE MET 9 -0.237 -6.811 -7.734 67 HE3 MET 9 2HE MET 9 1.093 -7.796 -8.342 68 H LEU 10 H LEU 10 -4.582 -6.041 -10.054 69 HA LEU 10 HA LEU 10 -6.121 -7.873 -11.662 70 HB2 LEU 10 2HB LEU 10 -6.235 -6.841 -8.878 71 HB3 LEU 10 3HB LEU 10 -7.715 -7.494 -9.578 72 HG LEU 10 HG LEU 10 -5.879 -9.459 -10.130 73 HD11 LEU 10 1HD1 LEU 10 -4.315 -8.116 -8.611 74 HD12 LEU 10 2HD1 LEU 10 -4.498 -9.840 -8.289 75 HD13 LEU 10 3HD1 LEU 10 -5.347 -8.661 -7.289 76 HD21 LEU 10 3HD2 LEU 10 -7.344 -9.547 -7.542 77 HD22 LEU 10 1HD2 LEU 10 -7.219 -10.762 -8.815 78 HD23 LEU 10 2HD2 LEU 10 -8.275 -9.365 -9.030 79 H ALA 11 H ALA 11 -7.814 -7.407 -12.909 80 HA ALA 11 HA ALA 11 -8.630 -4.662 -13.234 81 HB1 ALA 11 1HB ALA 11 -9.503 -5.296 -15.230 82 HB2 ALA 11 2HB ALA 11 -8.397 -6.649 -14.993 83 HB3 ALA 11 3HB ALA 11 -10.108 -6.831 -14.606 84 H ALA 12 H ALA 12 -10.056 -7.646 -11.994 85 HA ALA 12 HA ALA 12 -12.665 -6.624 -11.599 86 HB1 ALA 12 1HB ALA 12 -11.165 -9.026 -10.721 87 HB2 ALA 12 2HB ALA 12 -12.613 -8.591 -9.811 88 HB3 ALA 12 3HB ALA 12 -12.719 -8.896 -11.545 89 H ARG 13 H ARG 13 -9.725 -6.211 -9.882 90 HA ARG 13 HA ARG 13 -10.878 -5.618 -7.328 91 HB2 ARG 13 2HB ARG 13 -8.224 -5.801 -8.478 92 HB3 ARG 13 3HB ARG 13 -8.375 -4.380 -7.452 93 HG2 ARG 13 2HG ARG 13 -8.975 -7.218 -6.643 94 HG3 ARG 13 3HG ARG 13 -7.545 -6.285 -6.197 95 HD2 ARG 13 2HD ARG 13 -9.281 -4.585 -5.265 96 HD3 ARG 13 3HD ARG 13 -10.378 -5.966 -5.297 97 HE ARG 13 HE ARG 13 -9.225 -6.895 -3.536 98 HH11 ARG 13 1HH1 ARG 13 -7.446 -4.191 -4.817 99 HH12 ARG 13 2HH1 ARG 13 -6.311 -4.150 -3.508 100 HH21 ARG 13 1HH2 ARG 13 -7.738 -6.852 -1.807 101 HH22 ARG 13 2HH2 ARG 13 -6.478 -5.664 -1.797 102 H LYS 14 H LYS 14 -10.431 -3.890 -10.252 103 HA LYS 14 HA LYS 14 -10.301 -1.258 -9.190 104 HB2 LYS 14 2HB LYS 14 -11.209 -2.235 -11.904 105 HB3 LYS 14 3HB LYS 14 -10.908 -0.552 -11.491 106 HG2 LYS 14 2HG LYS 14 -8.628 -0.836 -11.411 107 HG3 LYS 14 3HG LYS 14 -8.748 -2.566 -11.081 108 HD2 LYS 14 2HD LYS 14 -9.581 -2.902 -13.391 109 HD3 LYS 14 3HD LYS 14 -9.326 -1.183 -13.701 110 HE2 LYS 14 2HE LYS 14 -6.937 -1.467 -13.191 111 HE3 LYS 14 3HE LYS 14 -7.208 -3.189 -12.930 112 HZ1 LYS 14 3HZ LYS 14 -8.226 -2.345 -15.450 113 HZ2 LYS 14 1HZ LYS 14 -7.108 -3.566 -15.100 114 HZ3 LYS 14 2HZ LYS 14 -6.582 -1.972 -15.306 115 H LYS 15 H LYS 15 -11.883 -0.761 -7.753 116 HA LYS 15 HA LYS 15 -14.648 -1.407 -8.266 117 HB2 LYS 15 2HB LYS 15 -13.300 0.185 -6.081 118 HB3 LYS 15 3HB LYS 15 -15.034 -0.100 -6.149 119 HG2 LYS 15 2HG LYS 15 -12.904 -2.218 -5.934 120 HG3 LYS 15 3HG LYS 15 -13.945 -1.649 -4.627 121 HD2 LYS 15 2HD LYS 15 -14.850 -3.030 -7.154 122 HD3 LYS 15 3HD LYS 15 -14.777 -3.748 -5.543 123 HE2 LYS 15 2HE LYS 15 -16.513 -1.433 -6.396 124 HE3 LYS 15 3HE LYS 15 -17.052 -3.082 -6.083 125 HZ1 LYS 15 3HZ LYS 15 -16.149 -2.753 -3.771 126 HZ2 LYS 15 1HZ LYS 15 -17.531 -1.856 -4.155 127 HZ3 LYS 15 2HZ LYS 15 -16.015 -1.107 -4.136 128 H ARG 16 H ARG 16 -13.466 1.744 -7.185 129 HA ARG 16 HA ARG 16 -15.381 3.072 -8.886 130 HB2 ARG 16 2HB ARG 16 -13.514 3.898 -6.711 131 HB3 ARG 16 3HB ARG 16 -14.075 5.129 -7.834 132 HG2 ARG 16 2HG ARG 16 -15.947 3.313 -6.344 133 HG3 ARG 16 3HG ARG 16 -15.401 4.867 -5.709 134 HD2 ARG 16 2HD ARG 16 -16.218 5.814 -7.969 135 HD3 ARG 16 3HD ARG 16 -17.108 4.298 -8.105 136 HE ARG 16 HE ARG 16 -18.569 5.051 -6.509 137 HH11 ARG 16 1HH1 ARG 16 -15.718 7.049 -6.489 138 HH12 ARG 16 2HH1 ARG 16 -16.385 8.218 -5.398 139 HH21 ARG 16 1HH2 ARG 16 -19.459 6.583 -5.072 140 HH22 ARG 16 2HH2 ARG 16 -18.513 7.951 -4.592 141 H ILE 17 H ILE 17 -12.053 2.233 -9.018 142 HA ILE 17 HA ILE 17 -11.213 4.267 -10.837 143 HB ILE 17 HB ILE 17 -9.314 2.583 -11.288 144 HG12 ILE 17 2HG1 ILE 17 -10.991 0.825 -10.046 145 HG13 ILE 17 3HG1 ILE 17 -9.250 0.605 -10.194 146 HG21 ILE 17 1HG2 ILE 17 -8.936 4.489 -9.920 147 HG22 ILE 17 2HG2 ILE 17 -9.843 3.787 -8.581 148 HG23 ILE 17 3HG2 ILE 17 -8.290 3.097 -9.052 149 HD11 ILE 17 3HD1 ILE 17 -8.874 1.375 -7.998 150 HD12 ILE 17 1HD1 ILE 17 -10.522 1.983 -7.851 151 HD13 ILE 17 2HD1 ILE 17 -10.225 0.245 -7.907 152 H SER 18 H SER 18 -12.506 1.014 -11.169 153 HA SER 18 HA SER 18 -11.965 0.595 -13.879 154 HB2 SER 18 2HB SER 18 -12.717 -1.317 -12.803 155 HB3 SER 18 3HB SER 18 -14.014 -0.464 -11.968 156 HG SER 18 HG SER 18 -15.253 -1.116 -13.520 157 H VAL 19 H VAL 19 -15.004 1.747 -12.404 158 HA VAL 19 HA VAL 19 -16.286 2.381 -14.817 159 HB VAL 19 HB VAL 19 -17.556 2.166 -12.769 160 HG11 VAL 19 1HG1 VAL 19 -15.811 3.087 -11.264 161 HG12 VAL 19 2HG1 VAL 19 -16.228 4.706 -11.830 162 HG13 VAL 19 3HG1 VAL 19 -17.419 3.741 -10.956 163 HG21 VAL 19 3HG2 VAL 19 -19.115 3.598 -13.486 164 HG22 VAL 19 1HG2 VAL 19 -18.097 4.999 -13.153 165 HG23 VAL 19 2HG2 VAL 19 -17.922 4.124 -14.674 166 H LYS 20 H LYS 20 -14.228 4.304 -12.689 167 HA LYS 20 HA LYS 20 -14.614 6.790 -13.955 168 HB2 LYS 20 2HB LYS 20 -13.536 6.331 -11.691 169 HB3 LYS 20 3HB LYS 20 -12.074 5.922 -12.580 170 HG2 LYS 20 2HG LYS 20 -13.328 8.518 -13.223 171 HG3 LYS 20 3HG LYS 20 -12.576 8.365 -11.633 172 HD2 LYS 20 2HD LYS 20 -11.054 7.394 -13.995 173 HD3 LYS 20 3HD LYS 20 -11.203 9.138 -13.767 174 HE2 LYS 20 2HE LYS 20 -9.285 8.717 -12.583 175 HE3 LYS 20 3HE LYS 20 -10.494 8.560 -11.309 176 HZ1 LYS 20 3HZ LYS 20 -10.307 6.272 -11.298 177 HZ2 LYS 20 1HZ LYS 20 -8.705 6.751 -11.556 178 HZ3 LYS 20 2HZ LYS 20 -9.642 6.197 -12.852 179 H LYS 21 H LYS 21 -12.307 4.177 -14.517 180 HA LYS 21 HA LYS 21 -10.707 5.518 -16.412 181 HB2 LYS 21 2HB LYS 21 -9.990 3.460 -15.285 182 HB3 LYS 21 3HB LYS 21 -11.253 2.558 -16.113 183 HG2 LYS 21 2HG LYS 21 -9.331 4.065 -17.790 184 HG3 LYS 21 3HG LYS 21 -8.745 2.616 -16.970 185 HD2 LYS 21 2HD LYS 21 -10.879 1.506 -17.935 186 HD3 LYS 21 3HD LYS 21 -10.895 2.882 -19.040 187 HE2 LYS 21 2HE LYS 21 -9.659 1.386 -20.257 188 HE3 LYS 21 3HE LYS 21 -8.376 2.223 -19.385 189 HZ1 LYS 21 3HZ LYS 21 -9.473 -0.049 -17.986 190 HZ2 LYS 21 1HZ LYS 21 -7.859 0.390 -18.241 191 HZ3 LYS 21 2HZ LYS 21 -8.708 -0.446 -19.442 192 H LYS 22 H LYS 22 -13.595 3.504 -16.741 193 HA LYS 22 HA LYS 22 -13.642 3.337 -19.537 194 HB2 LYS 22 2HB LYS 22 -15.980 3.377 -17.619 195 HB3 LYS 22 3HB LYS 22 -16.031 2.814 -19.285 196 HG2 LYS 22 2HG LYS 22 -14.063 1.562 -17.449 197 HG3 LYS 22 3HG LYS 22 -15.769 1.148 -17.260 198 HD2 LYS 22 2HD LYS 22 -15.903 0.351 -19.501 199 HD3 LYS 22 3HD LYS 22 -14.311 1.004 -19.894 200 HE2 LYS 22 2HE LYS 22 -13.202 -0.643 -18.695 201 HE3 LYS 22 3HE LYS 22 -14.614 -1.017 -17.709 202 HZ1 LYS 22 3HZ LYS 22 -15.267 -2.545 -19.160 203 HZ2 LYS 22 1HZ LYS 22 -13.770 -2.379 -19.930 204 HZ3 LYS 22 2HZ LYS 22 -15.104 -1.494 -20.475 205 H GLN 23 H GLN 23 -14.277 5.968 -17.437 206 HA GLN 23 HA GLN 23 -15.964 7.431 -19.248 207 HB2 GLN 23 2HB GLN 23 -14.451 8.377 -16.807 208 HB3 GLN 23 3HB GLN 23 -15.695 9.283 -17.658 209 HG2 GLN 23 2HG GLN 23 -16.392 6.582 -16.651 210 HG3 GLN 23 3HG GLN 23 -16.212 7.886 -15.478 211 HE21 GLN 23 1HE2 GLN 23 -18.517 7.374 -15.143 212 HE22 GLN 23 2HE2 GLN 23 -19.681 8.172 -16.140 213 H GLU 24 H GLU 24 -12.594 6.955 -18.856 214 HA GLU 24 HA GLU 24 -11.747 9.415 -20.058 215 HB2 GLU 24 2HB GLU 24 -10.321 6.818 -19.488 216 HB3 GLU 24 3HB GLU 24 -9.532 8.197 -20.240 217 HG2 GLU 24 2HG GLU 24 -10.741 8.073 -17.490 218 HG3 GLU 24 3HG GLU 24 -9.032 8.196 -17.904 219 H GLN 25 H GLN 25 -10.016 8.937 -21.984 220 HA GLN 25 HA GLN 25 -11.573 8.543 -24.275 221 HB2 GLN 25 2HB GLN 25 -9.327 8.409 -25.453 222 HB3 GLN 25 3HB GLN 25 -9.623 9.859 -24.503 223 HG2 GLN 25 2HG GLN 25 -8.094 9.286 -22.891 224 HG3 GLN 25 3HG GLN 25 -8.209 7.562 -23.243 225 HE21 GLN 25 1HE2 GLN 25 -6.929 6.676 -24.805 226 HE22 GLN 25 2HE2 GLN 25 -5.664 7.540 -25.604 227 HA PRO 26 HA PRO 26 -11.661 4.210 -24.957 228 HB2 PRO 26 2HB PRO 26 -11.510 4.082 -27.664 229 HB3 PRO 26 3HB PRO 26 -12.951 4.641 -26.808 230 HG2 PRO 26 2HG PRO 26 -10.782 6.241 -28.110 231 HG3 PRO 26 3HG PRO 26 -12.537 6.491 -28.155 232 HD2 PRO 26 2HD PRO 26 -10.903 7.917 -26.534 233 HD3 PRO 26 3HD PRO 26 -12.571 7.507 -26.087 Start of MODEL 5 1 H1 VAL 1 H VAL 1 2.338 -0.330 0.868 2 HA VAL 1 HA VAL 1 2.575 0.073 -1.940 3 HB VAL 1 HB VAL 1 4.493 0.323 -0.424 4 HG11 VAL 1 1HG1 VAL 1 4.516 -2.678 -0.196 5 HG12 VAL 1 2HG1 VAL 1 5.556 -1.519 0.634 6 HG13 VAL 1 3HG1 VAL 1 3.842 -1.617 1.040 7 HG21 VAL 1 3HG2 VAL 1 5.640 -1.808 -1.970 8 HG22 VAL 1 1HG2 VAL 1 4.456 -0.925 -2.935 9 HG23 VAL 1 2HG2 VAL 1 5.799 -0.064 -2.181 10 H SER 2 H SER 2 1.895 -2.688 0.089 11 HA SER 2 HA SER 2 2.292 -4.619 -2.011 12 HB2 SER 2 2HB SER 2 2.518 -4.987 0.545 13 HB3 SER 2 3HB SER 2 0.762 -5.149 0.525 14 HG SER 2 HG SER 2 2.547 -6.992 -0.051 15 H VAL 3 H VAL 3 -0.246 -2.572 -0.969 16 HA VAL 3 HA VAL 3 -2.388 -4.172 -2.061 17 HB VAL 3 HB VAL 3 -2.476 -1.271 -1.230 18 HG11 VAL 3 1HG1 VAL 3 -4.645 -3.344 -1.543 19 HG12 VAL 3 2HG1 VAL 3 -4.876 -1.702 -0.940 20 HG13 VAL 3 3HG1 VAL 3 -4.357 -1.966 -2.605 21 HG21 VAL 3 3HG2 VAL 3 -3.442 -2.212 0.904 22 HG22 VAL 3 1HG2 VAL 3 -2.839 -3.785 0.382 23 HG23 VAL 3 2HG2 VAL 3 -1.711 -2.460 0.673 24 H ASP 4 H ASP 4 -0.185 -1.786 -3.197 25 HA ASP 4 HA ASP 4 -1.647 -0.648 -5.295 26 HB2 ASP 4 2HB ASP 4 1.029 -0.584 -4.360 27 HB3 ASP 4 3HB ASP 4 1.092 -0.970 -6.077 28 HA PRO 5 HA PRO 5 0.160 -4.166 -8.094 29 HB2 PRO 5 2HB PRO 5 1.165 -6.341 -6.817 30 HB3 PRO 5 3HB PRO 5 2.152 -4.940 -7.250 31 HG2 PRO 5 2HG PRO 5 0.914 -5.644 -4.617 32 HG3 PRO 5 3HG PRO 5 2.536 -5.014 -4.958 33 HD2 PRO 5 2HD PRO 5 0.516 -3.440 -4.076 34 HD3 PRO 5 3HD PRO 5 1.786 -2.844 -5.165 35 H PHE 6 H PHE 6 -1.303 -5.113 -5.022 36 HA PHE 6 HA PHE 6 -2.626 -7.424 -5.878 37 HB2 PHE 6 2HB PHE 6 -2.341 -6.496 -3.492 38 HB3 PHE 6 3HB PHE 6 -3.774 -5.534 -3.836 39 HD1 PHE 6 HD1 PHE 6 -2.477 -8.896 -3.243 40 HD2 PHE 6 HD2 PHE 6 -5.946 -6.569 -4.061 41 HE1 PHE 6 HE1 PHE 6 -3.900 -10.801 -2.611 42 HE2 PHE 6 HE2 PHE 6 -7.374 -8.470 -3.429 43 HZ PHE 6 HZ PHE 6 -6.352 -10.589 -2.702 44 H TYR 7 H TYR 7 -3.899 -4.106 -5.588 45 HA TYR 7 HA TYR 7 -6.350 -4.762 -6.907 46 HB2 TYR 7 2HB TYR 7 -7.026 -2.737 -6.193 47 HB3 TYR 7 3HB TYR 7 -5.513 -2.699 -5.295 48 HD1 TYR 7 HD2 TYR 7 -3.573 -1.449 -6.196 49 HD2 TYR 7 HD1 TYR 7 -7.385 -1.315 -8.080 50 HE1 TYR 7 HE2 TYR 7 -2.880 0.555 -7.441 51 HE2 TYR 7 HE1 TYR 7 -6.702 0.689 -9.332 52 HH TYR 7 HH TYR 7 -3.941 2.484 -8.563 53 H GLU 8 H GLU 8 -3.209 -3.936 -7.960 54 HA GLU 8 HA GLU 8 -3.983 -2.795 -10.483 55 HB2 GLU 8 2HB GLU 8 -1.436 -3.490 -9.130 56 HB3 GLU 8 3HB GLU 8 -1.412 -3.462 -10.887 57 HG2 GLU 8 2HG GLU 8 -2.271 -1.165 -10.850 58 HG3 GLU 8 3HG GLU 8 -2.241 -1.197 -9.088 59 H MET 9 H MET 9 -2.893 -5.950 -9.330 60 HA MET 9 HA MET 9 -2.889 -7.104 -11.969 61 HB2 MET 9 2HB MET 9 -2.300 -9.170 -10.876 62 HB3 MET 9 3HB MET 9 -1.354 -7.867 -10.168 63 HG2 MET 9 2HG MET 9 -2.996 -7.780 -8.301 64 HG3 MET 9 3HG MET 9 -3.770 -9.208 -8.985 65 HE1 MET 9 3HE MET 9 -0.185 -7.945 -8.548 66 HE2 MET 9 1HE MET 9 -0.612 -7.943 -6.836 67 HE3 MET 9 2HE MET 9 0.564 -9.105 -7.450 68 H LEU 10 H LEU 10 -5.009 -7.127 -9.148 69 HA LEU 10 HA LEU 10 -6.870 -8.973 -10.346 70 HB2 LEU 10 2HB LEU 10 -6.728 -7.428 -7.803 71 HB3 LEU 10 3HB LEU 10 -8.287 -8.061 -8.327 72 HG LEU 10 HG LEU 10 -6.574 -10.236 -8.520 73 HD11 LEU 10 1HD1 LEU 10 -4.854 -9.040 -7.286 74 HD12 LEU 10 2HD1 LEU 10 -5.511 -10.361 -6.319 75 HD13 LEU 10 3HD1 LEU 10 -6.000 -8.699 -5.989 76 HD21 LEU 10 3HD2 LEU 10 -8.047 -11.206 -7.066 77 HD22 LEU 10 1HD2 LEU 10 -8.996 -9.807 -7.569 78 HD23 LEU 10 2HD2 LEU 10 -8.136 -9.781 -6.029 79 H ALA 11 H ALA 11 -8.571 -8.503 -11.585 80 HA ALA 11 HA ALA 11 -9.019 -5.775 -12.399 81 HB1 ALA 11 1HB ALA 11 -10.910 -6.990 -13.744 82 HB2 ALA 11 2HB ALA 11 -9.218 -7.180 -14.204 83 HB3 ALA 11 3HB ALA 11 -10.025 -8.441 -13.274 84 H ALA 12 H ALA 12 -10.762 -8.235 -10.558 85 HA ALA 12 HA ALA 12 -13.161 -6.750 -10.257 86 HB1 ALA 12 1HB ALA 12 -12.077 -9.269 -9.295 87 HB2 ALA 12 2HB ALA 12 -13.062 -8.445 -8.086 88 HB3 ALA 12 3HB ALA 12 -13.742 -8.821 -9.669 89 H ARG 13 H ARG 13 -10.086 -6.428 -8.862 90 HA ARG 13 HA ARG 13 -10.922 -5.340 -6.340 91 HB2 ARG 13 2HB ARG 13 -8.433 -6.051 -7.621 92 HB3 ARG 13 3HB ARG 13 -8.313 -4.457 -6.888 93 HG2 ARG 13 2HG ARG 13 -9.139 -6.995 -5.496 94 HG3 ARG 13 3HG ARG 13 -7.586 -6.171 -5.341 95 HD2 ARG 13 2HD ARG 13 -8.943 -4.144 -4.578 96 HD3 ARG 13 3HD ARG 13 -10.291 -5.266 -4.402 97 HE ARG 13 HE ARG 13 -9.270 -6.170 -2.546 98 HH11 ARG 13 1HH1 ARG 13 -7.066 -4.040 -4.196 99 HH12 ARG 13 2HH1 ARG 13 -5.900 -4.040 -2.914 100 HH21 ARG 13 1HH2 ARG 13 -7.743 -6.179 -0.851 101 HH22 ARG 13 2HH2 ARG 13 -6.286 -5.258 -1.012 102 H LYS 14 H LYS 14 -10.544 -4.141 -9.531 103 HA LYS 14 HA LYS 14 -10.176 -1.383 -8.781 104 HB2 LYS 14 2HB LYS 14 -10.775 -2.740 -11.409 105 HB3 LYS 14 3HB LYS 14 -10.634 -0.994 -11.247 106 HG2 LYS 14 2HG LYS 14 -8.468 -1.247 -11.647 107 HG3 LYS 14 3HG LYS 14 -8.341 -1.962 -10.038 108 HD2 LYS 14 2HD LYS 14 -7.383 -3.593 -11.369 109 HD3 LYS 14 3HD LYS 14 -9.052 -4.154 -11.247 110 HE2 LYS 14 2HE LYS 14 -8.215 -2.366 -13.497 111 HE3 LYS 14 3HE LYS 14 -7.880 -4.096 -13.566 112 HZ1 LYS 14 3HZ LYS 14 -10.432 -4.158 -12.892 113 HZ2 LYS 14 1HZ LYS 14 -9.919 -4.105 -14.504 114 HZ3 LYS 14 2HZ LYS 14 -10.425 -2.689 -13.731 115 H LYS 15 H LYS 15 -11.846 -0.600 -7.601 116 HA LYS 15 HA LYS 15 -14.589 -1.155 -8.307 117 HB2 LYS 15 2HB LYS 15 -13.347 0.640 -6.219 118 HB3 LYS 15 3HB LYS 15 -15.082 0.448 -6.429 119 HG2 LYS 15 2HG LYS 15 -13.135 -1.737 -5.721 120 HG3 LYS 15 3HG LYS 15 -14.256 -0.939 -4.615 121 HD2 LYS 15 2HD LYS 15 -15.003 -2.599 -7.022 122 HD3 LYS 15 3HD LYS 15 -15.139 -3.093 -5.333 123 HE2 LYS 15 2HE LYS 15 -16.620 -0.828 -6.666 124 HE3 LYS 15 3HE LYS 15 -17.298 -2.383 -6.189 125 HZ1 LYS 15 3HZ LYS 15 -17.865 -1.222 -4.362 126 HZ2 LYS 15 1HZ LYS 15 -16.644 -0.067 -4.561 127 HZ3 LYS 15 2HZ LYS 15 -16.282 -1.571 -3.876 128 H ARG 16 H ARG 16 -13.295 2.042 -7.529 129 HA ARG 16 HA ARG 16 -14.945 3.231 -9.578 130 HB2 ARG 16 2HB ARG 16 -14.767 4.363 -7.447 131 HB3 ARG 16 3HB ARG 16 -13.015 4.432 -7.587 132 HG2 ARG 16 2HG ARG 16 -13.969 6.589 -8.078 133 HG3 ARG 16 3HG ARG 16 -13.247 5.908 -9.537 134 HD2 ARG 16 2HD ARG 16 -15.320 5.444 -10.493 135 HD3 ARG 16 3HD ARG 16 -16.157 5.523 -8.943 136 HE ARG 16 HE ARG 16 -15.646 7.688 -10.720 137 HH11 ARG 16 1HH1 ARG 16 -15.963 6.855 -7.355 138 HH12 ARG 16 2HH1 ARG 16 -16.459 8.444 -6.874 139 HH21 ARG 16 1HH2 ARG 16 -16.298 9.784 -10.099 140 HH22 ARG 16 2HH2 ARG 16 -16.649 10.109 -8.436 141 H ILE 17 H ILE 17 -11.687 2.196 -9.254 142 HA ILE 17 HA ILE 17 -10.540 3.915 -11.225 143 HB ILE 17 HB ILE 17 -8.719 2.093 -11.246 144 HG12 ILE 17 2HG1 ILE 17 -10.621 0.605 -9.975 145 HG13 ILE 17 3HG1 ILE 17 -8.892 0.279 -9.908 146 HG21 ILE 17 1HG2 ILE 17 -8.356 4.144 -10.101 147 HG22 ILE 17 2HG2 ILE 17 -9.437 3.676 -8.789 148 HG23 ILE 17 3HG2 ILE 17 -7.893 2.849 -8.996 149 HD11 ILE 17 3HD1 ILE 17 -10.296 2.023 -7.910 150 HD12 ILE 17 1HD1 ILE 17 -10.114 0.280 -7.711 151 HD13 ILE 17 2HD1 ILE 17 -8.686 1.312 -7.800 152 H SER 18 H SER 18 -12.013 0.723 -11.256 153 HA SER 18 HA SER 18 -11.239 -0.101 -13.812 154 HB2 SER 18 2HB SER 18 -12.224 -1.798 -12.575 155 HB3 SER 18 3HB SER 18 -13.536 -0.765 -12.009 156 HG SER 18 HG SER 18 -14.628 -1.682 -13.551 157 H VAL 19 H VAL 19 -14.317 1.418 -12.838 158 HA VAL 19 HA VAL 19 -15.303 1.778 -15.442 159 HB VAL 19 HB VAL 19 -16.785 1.910 -13.532 160 HG11 VAL 19 1HG1 VAL 19 -16.734 3.710 -11.940 161 HG12 VAL 19 2HG1 VAL 19 -15.142 2.948 -11.985 162 HG13 VAL 19 3HG1 VAL 19 -15.407 4.489 -12.801 163 HG21 VAL 19 3HG2 VAL 19 -16.851 3.572 -15.714 164 HG22 VAL 19 1HG2 VAL 19 -18.173 3.323 -14.573 165 HG23 VAL 19 2HG2 VAL 19 -17.079 4.691 -14.370 166 H LYS 20 H LYS 20 -13.352 3.862 -13.365 167 HA LYS 20 HA LYS 20 -13.443 6.186 -14.932 168 HB2 LYS 20 2HB LYS 20 -12.601 6.134 -12.619 169 HB3 LYS 20 3HB LYS 20 -11.208 5.199 -13.148 170 HG2 LYS 20 2HG LYS 20 -10.493 7.441 -12.910 171 HG3 LYS 20 3HG LYS 20 -10.603 7.119 -14.642 172 HD2 LYS 20 2HD LYS 20 -12.609 8.347 -14.843 173 HD3 LYS 20 3HD LYS 20 -12.850 8.387 -13.095 174 HE2 LYS 20 2HE LYS 20 -12.068 10.519 -13.539 175 HE3 LYS 20 3HE LYS 20 -10.598 9.668 -13.066 176 HZ1 LYS 20 3HZ LYS 20 -11.358 10.756 -15.644 177 HZ2 LYS 20 1HZ LYS 20 -10.606 9.241 -15.695 178 HZ3 LYS 20 2HZ LYS 20 -9.823 10.550 -14.965 179 H LYS 21 H LYS 21 -11.299 3.381 -15.038 180 HA LYS 21 HA LYS 21 -9.554 4.434 -17.021 181 HB2 LYS 21 2HB LYS 21 -9.197 2.455 -15.372 182 HB3 LYS 21 3HB LYS 21 -10.009 1.495 -16.602 183 HG2 LYS 21 2HG LYS 21 -7.688 1.259 -16.968 184 HG3 LYS 21 3HG LYS 21 -8.294 2.324 -18.238 185 HD2 LYS 21 2HD LYS 21 -7.318 4.211 -17.294 186 HD3 LYS 21 3HD LYS 21 -7.189 3.465 -15.699 187 HE2 LYS 21 2HE LYS 21 -5.552 1.835 -16.803 188 HE3 LYS 21 3HE LYS 21 -5.509 2.981 -18.142 189 HZ1 LYS 21 3HZ LYS 21 -5.140 4.508 -15.899 190 HZ2 LYS 21 1HZ LYS 21 -3.945 4.037 -17.000 191 HZ3 LYS 21 2HZ LYS 21 -4.218 3.121 -15.605 192 H LYS 22 H LYS 22 -12.420 2.370 -17.122 193 HA LYS 22 HA LYS 22 -12.331 1.712 -19.847 194 HB2 LYS 22 2HB LYS 22 -14.453 1.779 -17.755 195 HB3 LYS 22 3HB LYS 22 -14.957 1.638 -19.434 196 HG2 LYS 22 2HG LYS 22 -12.804 -0.190 -18.665 197 HG3 LYS 22 3HG LYS 22 -14.327 -0.446 -17.810 198 HD2 LYS 22 2HD LYS 22 -14.686 -1.753 -19.653 199 HD3 LYS 22 3HD LYS 22 -15.326 -0.218 -20.245 200 HE2 LYS 22 2HE LYS 22 -12.438 -0.667 -20.653 201 HE3 LYS 22 3HE LYS 22 -13.519 -1.707 -21.579 202 HZ1 LYS 22 3HZ LYS 22 -14.461 0.935 -21.713 203 HZ2 LYS 22 1HZ LYS 22 -13.890 -0.044 -22.969 204 HZ3 LYS 22 2HZ LYS 22 -12.816 0.938 -22.107 205 H GLN 23 H GLN 23 -13.078 4.659 -18.268 206 HA GLN 23 HA GLN 23 -14.788 5.806 -20.212 207 HB2 GLN 23 2HB GLN 23 -12.923 7.163 -18.257 208 HB3 GLN 23 3HB GLN 23 -14.218 7.952 -19.148 209 HG2 GLN 23 2HG GLN 23 -15.575 5.944 -17.942 210 HG3 GLN 23 3HG GLN 23 -14.323 6.275 -16.746 211 HE21 GLN 23 1HE2 GLN 23 -17.197 6.730 -16.610 212 HE22 GLN 23 2HE2 GLN 23 -17.402 8.418 -16.305 213 H GLU 24 H GLU 24 -14.140 5.820 -22.286 214 HA GLU 24 HA GLU 24 -11.460 6.151 -23.133 215 HB2 GLU 24 2HB GLU 24 -12.426 6.402 -25.392 216 HB3 GLU 24 3HB GLU 24 -13.076 5.010 -24.536 217 HG2 GLU 24 2HG GLU 24 -15.061 6.385 -23.940 218 HG3 GLU 24 3HG GLU 24 -14.423 7.663 -24.973 219 H GLN 25 H GLN 25 -14.182 8.379 -22.822 220 HA GLN 25 HA GLN 25 -12.997 10.603 -24.062 221 HB2 GLN 25 2HB GLN 25 -15.242 10.194 -22.146 222 HB3 GLN 25 3HB GLN 25 -14.626 11.827 -22.354 223 HG2 GLN 25 2HG GLN 25 -15.295 11.945 -24.557 224 HG3 GLN 25 3HG GLN 25 -15.336 10.192 -24.746 225 HE21 GLN 25 1HE2 GLN 25 -17.086 13.002 -23.909 226 HE22 GLN 25 2HE2 GLN 25 -18.599 12.239 -23.572 227 HA PRO 26 HA PRO 26 -10.086 12.188 -21.191 228 HB2 PRO 26 2HB PRO 26 -10.502 14.866 -21.348 229 HB3 PRO 26 3HB PRO 26 -9.743 13.934 -22.644 230 HG2 PRO 26 2HG PRO 26 -12.576 14.871 -22.393 231 HG3 PRO 26 3HG PRO 26 -11.514 14.887 -23.813 232 HD2 PRO 26 2HD PRO 26 -13.417 12.998 -23.438 233 HD3 PRO 26 3HD PRO 26 -11.887 12.660 -24.274 Start of MODEL 6 1 H1 VAL 1 H VAL 1 2.028 0.195 0.317 2 HA VAL 1 HA VAL 1 2.292 0.519 -2.521 3 HB VAL 1 HB VAL 1 4.185 -0.893 -0.639 4 HG11 VAL 1 1HG1 VAL 1 5.837 -0.020 -2.408 5 HG12 VAL 1 2HG1 VAL 1 4.845 -1.423 -2.812 6 HG13 VAL 1 3HG1 VAL 1 4.414 0.171 -3.432 7 HG21 VAL 1 3HG2 VAL 1 3.566 1.953 -0.999 8 HG22 VAL 1 1HG2 VAL 1 4.342 1.119 0.347 9 HG23 VAL 1 2HG2 VAL 1 5.282 1.555 -1.080 10 H SER 2 H SER 2 1.711 -2.150 -0.325 11 HA SER 2 HA SER 2 2.097 -4.172 -2.341 12 HB2 SER 2 2HB SER 2 2.591 -4.856 -0.119 13 HB3 SER 2 3HB SER 2 1.057 -4.236 0.493 14 HG SER 2 HG SER 2 1.522 -6.517 -1.111 15 H VAL 3 H VAL 3 -0.462 -2.141 -1.322 16 HA VAL 3 HA VAL 3 -2.592 -3.847 -2.267 17 HB VAL 3 HB VAL 3 -4.049 -1.887 -1.851 18 HG11 VAL 3 1HG1 VAL 3 -2.810 -1.770 0.690 19 HG12 VAL 3 2HG1 VAL 3 -4.193 -2.747 0.190 20 HG13 VAL 3 3HG1 VAL 3 -2.557 -3.394 0.051 21 HG21 VAL 3 3HG2 VAL 3 -3.223 0.157 -0.996 22 HG22 VAL 3 1HG2 VAL 3 -1.602 -0.504 -0.780 23 HG23 VAL 3 2HG2 VAL 3 -2.228 -0.217 -2.404 24 H ASP 4 H ASP 4 -0.491 -1.461 -3.584 25 HA ASP 4 HA ASP 4 -2.044 -0.466 -5.688 26 HB2 ASP 4 2HB ASP 4 0.659 -0.294 -4.843 27 HB3 ASP 4 3HB ASP 4 0.674 -0.752 -6.544 28 HA PRO 5 HA PRO 5 -0.229 -4.071 -8.368 29 HB2 PRO 5 2HB PRO 5 0.868 -6.156 -7.019 30 HB3 PRO 5 3HB PRO 5 1.806 -4.754 -7.548 31 HG2 PRO 5 2HG PRO 5 0.662 -5.358 -4.848 32 HG3 PRO 5 3HG PRO 5 2.257 -4.706 -5.267 33 HD2 PRO 5 2HD PRO 5 0.225 -3.140 -4.402 34 HD3 PRO 5 3HD PRO 5 1.447 -2.568 -5.556 35 H PHE 6 H PHE 6 -1.661 -4.800 -5.241 36 HA PHE 6 HA PHE 6 -2.904 -7.225 -5.872 37 HB2 PHE 6 2HB PHE 6 -2.676 -6.000 -3.593 38 HB3 PHE 6 3HB PHE 6 -4.179 -5.205 -4.050 39 HD1 PHE 6 HD1 PHE 6 -2.614 -8.406 -3.179 40 HD2 PHE 6 HD2 PHE 6 -6.257 -6.389 -4.058 41 HE1 PHE 6 HE1 PHE 6 -3.882 -10.340 -2.340 42 HE2 PHE 6 HE2 PHE 6 -7.532 -8.319 -3.219 43 HZ PHE 6 HZ PHE 6 -6.345 -10.298 -2.358 44 H TYR 7 H TYR 7 -4.378 -3.976 -5.809 45 HA TYR 7 HA TYR 7 -6.741 -4.845 -7.145 46 HB2 TYR 7 2HB TYR 7 -7.542 -2.760 -6.720 47 HB3 TYR 7 3HB TYR 7 -6.174 -2.704 -5.613 48 HD1 TYR 7 HD1 TYR 7 -4.103 -1.498 -6.273 49 HD2 TYR 7 HD2 TYR 7 -7.632 -1.359 -8.646 50 HE1 TYR 7 HE1 TYR 7 -3.226 0.475 -7.450 51 HE2 TYR 7 HE2 TYR 7 -6.764 0.615 -9.830 52 HH TYR 7 HH TYR 7 -3.798 2.204 -8.824 53 H GLU 8 H GLU 8 -3.632 -3.863 -8.194 54 HA GLU 8 HA GLU 8 -4.384 -2.918 -10.785 55 HB2 GLU 8 2HB GLU 8 -1.849 -3.520 -9.368 56 HB3 GLU 8 3HB GLU 8 -1.801 -3.582 -11.125 57 HG2 GLU 8 2HG GLU 8 -2.821 -1.226 -9.560 58 HG3 GLU 8 3HG GLU 8 -1.161 -1.389 -10.133 59 H MET 9 H MET 9 -3.221 -5.996 -9.486 60 HA MET 9 HA MET 9 -3.225 -7.270 -12.071 61 HB2 MET 9 2HB MET 9 -2.541 -9.257 -10.908 62 HB3 MET 9 3HB MET 9 -1.650 -7.898 -10.237 63 HG2 MET 9 2HG MET 9 -3.232 -7.824 -8.354 64 HG3 MET 9 3HG MET 9 -4.050 -9.238 -9.016 65 HE1 MET 9 3HE MET 9 -2.963 -11.214 -9.687 66 HE2 MET 9 1HE MET 9 -1.274 -11.646 -9.415 67 HE3 MET 9 2HE MET 9 -2.503 -12.109 -8.237 68 H LEU 10 H LEU 10 -5.305 -7.207 -9.222 69 HA LEU 10 HA LEU 10 -7.130 -9.161 -10.295 70 HB2 LEU 10 2HB LEU 10 -6.939 -7.525 -7.827 71 HB3 LEU 10 3HB LEU 10 -8.535 -8.105 -8.298 72 HG LEU 10 HG LEU 10 -7.041 -10.387 -8.454 73 HD11 LEU 10 1HD1 LEU 10 -5.183 -8.939 -7.388 74 HD12 LEU 10 2HD1 LEU 10 -5.506 -10.542 -6.729 75 HD13 LEU 10 3HD1 LEU 10 -6.127 -9.110 -5.908 76 HD21 LEU 10 3HD2 LEU 10 -8.191 -9.720 -5.809 77 HD22 LEU 10 1HD2 LEU 10 -8.446 -11.130 -6.837 78 HD23 LEU 10 2HD2 LEU 10 -9.266 -9.612 -7.204 79 H ALA 11 H ALA 11 -8.930 -8.813 -11.451 80 HA ALA 11 HA ALA 11 -9.425 -6.166 -12.477 81 HB1 ALA 11 1HB ALA 11 -10.961 -7.199 -13.977 82 HB2 ALA 11 2HB ALA 11 -9.549 -8.250 -13.859 83 HB3 ALA 11 3HB ALA 11 -11.030 -8.661 -12.993 84 H ALA 12 H ALA 12 -11.341 -8.561 -10.661 85 HA ALA 12 HA ALA 12 -13.606 -6.961 -10.275 86 HB1 ALA 12 1HB ALA 12 -13.890 -9.238 -9.852 87 HB2 ALA 12 2HB ALA 12 -12.489 -9.310 -8.782 88 HB3 ALA 12 3HB ALA 12 -13.962 -8.497 -8.253 89 H ARG 13 H ARG 13 -10.498 -6.823 -8.830 90 HA ARG 13 HA ARG 13 -11.221 -5.611 -6.365 91 HB2 ARG 13 2HB ARG 13 -8.717 -6.060 -7.887 92 HB3 ARG 13 3HB ARG 13 -8.699 -4.740 -6.726 93 HG2 ARG 13 2HG ARG 13 -9.766 -7.346 -5.809 94 HG3 ARG 13 3HG ARG 13 -8.026 -7.218 -6.075 95 HD2 ARG 13 2HD ARG 13 -8.566 -6.703 -3.767 96 HD3 ARG 13 3HD ARG 13 -7.957 -5.266 -4.588 97 HE ARG 13 HE ARG 13 -10.718 -5.748 -3.739 98 HH11 ARG 13 1HH1 ARG 13 -8.327 -3.653 -5.160 99 HH12 ARG 13 2HH1 ARG 13 -9.302 -2.228 -5.017 100 HH21 ARG 13 1HH2 ARG 13 -12.011 -3.879 -3.547 101 HH22 ARG 13 2HH2 ARG 13 -11.397 -2.358 -4.099 102 H LYS 14 H LYS 14 -10.162 -4.317 -9.494 103 HA LYS 14 HA LYS 14 -10.075 -1.613 -8.775 104 HB2 LYS 14 2HB LYS 14 -10.728 -2.844 -11.458 105 HB3 LYS 14 3HB LYS 14 -10.295 -1.160 -11.196 106 HG2 LYS 14 2HG LYS 14 -8.087 -1.735 -10.554 107 HG3 LYS 14 3HG LYS 14 -8.493 -3.451 -10.462 108 HD2 LYS 14 2HD LYS 14 -7.331 -3.181 -12.497 109 HD3 LYS 14 3HD LYS 14 -9.035 -3.305 -12.939 110 HE2 LYS 14 2HE LYS 14 -8.277 -1.519 -14.220 111 HE3 LYS 14 3HE LYS 14 -9.025 -0.732 -12.831 112 HZ1 LYS 14 3HZ LYS 14 -6.604 -0.122 -13.697 113 HZ2 LYS 14 1HZ LYS 14 -6.189 -1.345 -12.605 114 HZ3 LYS 14 2HZ LYS 14 -7.050 0.009 -12.071 115 H LYS 15 H LYS 15 -11.762 -0.771 -7.673 116 HA LYS 15 HA LYS 15 -14.491 -1.307 -8.438 117 HB2 LYS 15 2HB LYS 15 -13.249 0.470 -6.340 118 HB3 LYS 15 3HB LYS 15 -14.984 0.394 -6.616 119 HG2 LYS 15 2HG LYS 15 -15.188 -1.649 -5.667 120 HG3 LYS 15 3HG LYS 15 -13.591 -2.179 -6.199 121 HD2 LYS 15 2HD LYS 15 -13.648 -1.949 -3.779 122 HD3 LYS 15 3HD LYS 15 -12.561 -0.751 -4.486 123 HE2 LYS 15 2HE LYS 15 -15.183 0.357 -4.347 124 HE3 LYS 15 3HE LYS 15 -14.778 -0.329 -2.775 125 HZ1 LYS 15 3HZ LYS 15 -12.542 1.055 -3.719 126 HZ2 LYS 15 1HZ LYS 15 -13.515 1.427 -2.385 127 HZ3 LYS 15 2HZ LYS 15 -13.881 2.072 -3.905 128 H ARG 16 H ARG 16 -13.071 1.869 -7.754 129 HA ARG 16 HA ARG 16 -14.719 3.080 -9.785 130 HB2 ARG 16 2HB ARG 16 -12.678 4.196 -7.862 131 HB3 ARG 16 3HB ARG 16 -13.534 5.188 -9.035 132 HG2 ARG 16 2HG ARG 16 -14.804 3.566 -6.838 133 HG3 ARG 16 3HG ARG 16 -14.567 5.315 -6.836 134 HD2 ARG 16 2HD ARG 16 -16.361 3.679 -8.610 135 HD3 ARG 16 3HD ARG 16 -16.815 4.948 -7.473 136 HE ARG 16 HE ARG 16 -16.005 5.293 -10.177 137 HH11 ARG 16 1HH1 ARG 16 -15.877 6.763 -7.025 138 HH12 ARG 16 2HH1 ARG 16 -15.729 8.377 -7.639 139 HH21 ARG 16 1HH2 ARG 16 -15.810 7.412 -10.999 140 HH22 ARG 16 2HH2 ARG 16 -15.692 8.744 -9.900 141 H ILE 17 H ILE 17 -11.300 2.362 -9.319 142 HA ILE 17 HA ILE 17 -10.238 3.786 -11.467 143 HB ILE 17 HB ILE 17 -8.464 1.926 -11.473 144 HG12 ILE 17 2HG1 ILE 17 -10.391 0.527 -10.110 145 HG13 ILE 17 3HG1 ILE 17 -8.677 0.127 -10.130 146 HG21 ILE 17 1HG2 ILE 17 -8.052 3.998 -10.370 147 HG22 ILE 17 2HG2 ILE 17 -9.093 3.553 -9.020 148 HG23 ILE 17 3HG2 ILE 17 -7.566 2.708 -9.270 149 HD11 ILE 17 3HD1 ILE 17 -8.317 1.203 -8.053 150 HD12 ILE 17 1HD1 ILE 17 -9.923 1.931 -8.078 151 HD13 ILE 17 2HD1 ILE 17 -9.747 0.188 -7.871 152 H SER 18 H SER 18 -11.790 0.631 -11.359 153 HA SER 18 HA SER 18 -11.109 -0.282 -13.913 154 HB2 SER 18 2HB SER 18 -12.085 -1.923 -12.593 155 HB3 SER 18 3HB SER 18 -13.363 -0.850 -12.022 156 HG SER 18 HG SER 18 -14.484 -1.184 -13.835 157 H VAL 19 H VAL 19 -14.226 1.159 -12.936 158 HA VAL 19 HA VAL 19 -15.199 1.534 -15.533 159 HB VAL 19 HB VAL 19 -16.695 1.618 -13.635 160 HG11 VAL 19 1HG1 VAL 19 -16.687 3.398 -12.019 161 HG12 VAL 19 2HG1 VAL 19 -15.082 2.667 -12.064 162 HG13 VAL 19 3HG1 VAL 19 -15.370 4.213 -12.861 163 HG21 VAL 19 3HG2 VAL 19 -17.188 4.356 -14.323 164 HG22 VAL 19 1HG2 VAL 19 -16.675 3.462 -15.754 165 HG23 VAL 19 2HG2 VAL 19 -18.064 2.908 -14.819 166 H LYS 20 H LYS 20 -13.308 3.654 -13.437 167 HA LYS 20 HA LYS 20 -13.450 5.978 -15.009 168 HB2 LYS 20 2HB LYS 20 -12.638 5.906 -12.665 169 HB3 LYS 20 3HB LYS 20 -11.183 5.087 -13.217 170 HG2 LYS 20 2HG LYS 20 -10.328 6.975 -14.206 171 HG3 LYS 20 3HG LYS 20 -11.917 7.716 -14.413 172 HD2 LYS 20 2HD LYS 20 -12.025 8.401 -12.193 173 HD3 LYS 20 3HD LYS 20 -10.809 7.232 -11.672 174 HE2 LYS 20 2HE LYS 20 -9.086 8.495 -12.862 175 HE3 LYS 20 3HE LYS 20 -10.300 9.655 -13.398 176 HZ1 LYS 20 3HZ LYS 20 -10.356 10.651 -11.400 177 HZ2 LYS 20 1HZ LYS 20 -8.818 9.971 -11.211 178 HZ3 LYS 20 2HZ LYS 20 -10.168 9.209 -10.535 179 H LYS 21 H LYS 21 -11.214 3.243 -15.062 180 HA LYS 21 HA LYS 21 -9.457 4.333 -17.006 181 HB2 LYS 21 2HB LYS 21 -8.822 2.495 -15.485 182 HB3 LYS 21 3HB LYS 21 -9.967 1.437 -16.298 183 HG2 LYS 21 2HG LYS 21 -7.879 2.771 -17.936 184 HG3 LYS 21 3HG LYS 21 -7.406 1.423 -16.899 185 HD2 LYS 21 2HD LYS 21 -9.461 0.237 -17.984 186 HD3 LYS 21 3HD LYS 21 -9.264 1.458 -19.243 187 HE2 LYS 21 2HE LYS 21 -6.972 -0.237 -18.297 188 HE3 LYS 21 3HE LYS 21 -8.071 -0.782 -19.562 189 HZ1 LYS 21 3HZ LYS 21 -6.481 0.229 -20.812 190 HZ2 LYS 21 1HZ LYS 21 -6.085 1.366 -19.624 191 HZ3 LYS 21 2HZ LYS 21 -7.488 1.562 -20.547 192 H LYS 22 H LYS 22 -12.271 2.199 -17.195 193 HA LYS 22 HA LYS 22 -12.071 1.752 -20.001 194 HB2 LYS 22 2HB LYS 22 -14.197 1.295 -17.936 195 HB3 LYS 22 3HB LYS 22 -14.575 1.105 -19.643 196 HG2 LYS 22 2HG LYS 22 -12.678 -0.516 -19.797 197 HG3 LYS 22 3HG LYS 22 -12.538 -0.421 -18.040 198 HD2 LYS 22 2HD LYS 22 -14.729 -1.313 -17.742 199 HD3 LYS 22 3HD LYS 22 -15.085 -1.172 -19.465 200 HE2 LYS 22 2HE LYS 22 -12.793 -2.851 -18.526 201 HE3 LYS 22 3HE LYS 22 -14.438 -3.484 -18.470 202 HZ1 LYS 22 3HZ LYS 22 -13.624 -2.252 -20.974 203 HZ2 LYS 22 1HZ LYS 22 -14.549 -3.643 -20.699 204 HZ3 LYS 22 2HZ LYS 22 -12.862 -3.712 -20.589 205 H GLN 23 H GLN 23 -13.253 4.334 -18.084 206 HA GLN 23 HA GLN 23 -15.160 5.377 -19.924 207 HB2 GLN 23 2HB GLN 23 -13.743 6.456 -17.512 208 HB3 GLN 23 3HB GLN 23 -14.673 7.538 -18.541 209 HG2 GLN 23 2HG GLN 23 -15.987 5.046 -17.625 210 HG3 GLN 23 3HG GLN 23 -15.726 6.324 -16.440 211 HE21 GLN 23 1HE2 GLN 23 -18.135 6.180 -16.472 212 HE22 GLN 23 2HE2 GLN 23 -18.975 7.183 -17.601 213 H GLU 24 H GLU 24 -14.817 6.414 -21.768 214 HA GLU 24 HA GLU 24 -12.192 6.966 -22.709 215 HB2 GLU 24 2HB GLU 24 -13.237 7.727 -24.719 216 HB3 GLU 24 3HB GLU 24 -14.146 6.334 -24.149 217 HG2 GLU 24 2HG GLU 24 -15.696 8.052 -23.044 218 HG3 GLU 24 3HG GLU 24 -14.915 9.226 -24.101 219 H GLN 25 H GLN 25 -11.386 9.049 -23.412 220 HA GLN 25 HA GLN 25 -11.558 11.012 -21.389 221 HB2 GLN 25 2HB GLN 25 -10.213 10.801 -24.039 222 HB3 GLN 25 3HB GLN 25 -10.361 12.397 -23.316 223 HG2 GLN 25 2HG GLN 25 -9.019 9.991 -22.106 224 HG3 GLN 25 3HG GLN 25 -8.233 11.432 -22.749 225 HE21 GLN 25 1HE2 GLN 25 -8.201 13.298 -21.549 226 HE22 GLN 25 2HE2 GLN 25 -8.682 13.359 -19.891 227 HA PRO 26 HA PRO 26 -14.842 13.639 -22.631 228 HB2 PRO 26 2HB PRO 26 -13.834 16.113 -22.143 229 HB3 PRO 26 3HB PRO 26 -14.304 14.996 -20.856 230 HG2 PRO 26 2HG PRO 26 -11.583 15.579 -21.958 231 HG3 PRO 26 3HG PRO 26 -12.087 15.381 -20.269 232 HD2 PRO 26 2HD PRO 26 -10.866 13.409 -21.666 233 HD3 PRO 26 3HD PRO 26 -12.069 13.080 -20.402 Start of MODEL 7 1 H1 VAL 1 H VAL 1 2.122 0.141 0.540 2 HA VAL 1 HA VAL 1 2.089 0.656 -2.229 3 HB VAL 1 HB VAL 1 4.420 -0.167 -2.232 4 HG11 VAL 1 1HG1 VAL 1 5.248 1.674 -1.157 5 HG12 VAL 1 2HG1 VAL 1 3.544 2.122 -1.256 6 HG13 VAL 1 3HG1 VAL 1 4.200 1.465 0.245 7 HG21 VAL 1 3HG2 VAL 1 4.490 -1.977 -0.775 8 HG22 VAL 1 1HG2 VAL 1 5.327 -0.713 0.126 9 HG23 VAL 1 2HG2 VAL 1 3.651 -1.105 0.507 10 H SER 2 H SER 2 1.779 -2.283 -0.377 11 HA SER 2 HA SER 2 2.196 -4.028 -2.631 12 HB2 SER 2 2HB SER 2 1.170 -4.545 0.167 13 HB3 SER 2 3HB SER 2 1.425 -5.808 -1.037 14 HG SER 2 HG SER 2 3.189 -5.024 0.610 15 H VAL 3 H VAL 3 -0.426 -2.277 -1.301 16 HA VAL 3 HA VAL 3 -2.497 -3.975 -2.382 17 HB VAL 3 HB VAL 3 -4.043 -2.183 -1.681 18 HG11 VAL 3 1HG1 VAL 3 -3.177 -3.982 -0.129 19 HG12 VAL 3 2HG1 VAL 3 -2.087 -2.761 0.531 20 HG13 VAL 3 3HG1 VAL 3 -3.834 -2.541 0.646 21 HG21 VAL 3 3HG2 VAL 3 -2.386 -0.556 -0.101 22 HG22 VAL 3 1HG2 VAL 3 -1.629 -0.633 -1.692 23 HG23 VAL 3 2HG2 VAL 3 -3.301 -0.092 -1.536 24 H ASP 4 H ASP 4 -0.573 -1.333 -3.461 25 HA ASP 4 HA ASP 4 -2.249 -0.184 -5.384 26 HB2 ASP 4 2HB ASP 4 0.466 0.041 -4.601 27 HB3 ASP 4 3HB ASP 4 0.451 -0.219 -6.343 28 HA PRO 5 HA PRO 5 -0.345 -3.339 -8.530 29 HB2 PRO 5 2HB PRO 5 0.901 -5.508 -7.473 30 HB3 PRO 5 3HB PRO 5 1.748 -4.004 -7.855 31 HG2 PRO 5 2HG PRO 5 0.729 -4.986 -5.217 32 HG3 PRO 5 3HG PRO 5 2.274 -4.204 -5.599 33 HD2 PRO 5 2HD PRO 5 0.196 -2.864 -4.495 34 HD3 PRO 5 3HD PRO 5 1.347 -2.093 -5.605 35 H PHE 6 H PHE 6 -1.660 -4.481 -5.481 36 HA PHE 6 HA PHE 6 -2.796 -6.887 -6.375 37 HB2 PHE 6 2HB PHE 6 -2.529 -5.974 -3.966 38 HB3 PHE 6 3HB PHE 6 -4.069 -5.172 -4.258 39 HD1 PHE 6 HD1 PHE 6 -2.389 -8.410 -3.876 40 HD2 PHE 6 HD2 PHE 6 -6.115 -6.409 -4.356 41 HE1 PHE 6 HE1 PHE 6 -3.574 -10.476 -3.260 42 HE2 PHE 6 HE2 PHE 6 -7.306 -8.472 -3.739 43 HZ PHE 6 HZ PHE 6 -6.035 -10.509 -3.189 44 H TYR 7 H TYR 7 -4.344 -3.705 -5.924 45 HA TYR 7 HA TYR 7 -6.747 -4.524 -7.245 46 HB2 TYR 7 2HB TYR 7 -7.611 -2.535 -6.552 47 HB3 TYR 7 3HB TYR 7 -6.215 -2.567 -5.480 48 HD1 TYR 7 HD1 TYR 7 -4.267 -1.147 -5.932 49 HD2 TYR 7 HD2 TYR 7 -7.741 -0.974 -8.382 50 HE1 TYR 7 HE1 TYR 7 -3.491 0.989 -6.871 51 HE2 TYR 7 HE2 TYR 7 -6.975 1.163 -9.328 52 HH TYR 7 HH TYR 7 -5.481 2.827 -9.144 53 H GLU 8 H GLU 8 -3.717 -3.338 -8.281 54 HA GLU 8 HA GLU 8 -4.614 -2.115 -10.714 55 HB2 GLU 8 2HB GLU 8 -2.010 -2.712 -9.438 56 HB3 GLU 8 3HB GLU 8 -2.005 -2.619 -11.194 57 HG2 GLU 8 2HG GLU 8 -2.960 -0.382 -11.090 58 HG3 GLU 8 3HG GLU 8 -2.995 -0.473 -9.330 59 H MET 9 H MET 9 -3.243 -5.251 -9.819 60 HA MET 9 HA MET 9 -3.294 -6.219 -12.535 61 HB2 MET 9 2HB MET 9 -2.517 -8.326 -11.589 62 HB3 MET 9 3HB MET 9 -1.574 -6.984 -10.954 63 HG2 MET 9 2HG MET 9 -3.314 -7.083 -9.003 64 HG3 MET 9 3HG MET 9 -3.551 -8.731 -9.581 65 HE1 MET 9 3HE MET 9 -1.877 -10.757 -8.575 66 HE2 MET 9 1HE MET 9 -1.549 -10.201 -10.217 67 HE3 MET 9 2HE MET 9 -0.217 -10.451 -9.088 68 H LEU 10 H LEU 10 -5.201 -6.671 -9.593 69 HA LEU 10 HA LEU 10 -6.982 -8.560 -10.845 70 HB2 LEU 10 2HB LEU 10 -6.902 -7.191 -8.180 71 HB3 LEU 10 3HB LEU 10 -8.313 -8.118 -8.685 72 HG LEU 10 HG LEU 10 -5.951 -9.702 -9.039 73 HD11 LEU 10 1HD1 LEU 10 -5.611 -9.882 -6.462 74 HD12 LEU 10 2HD1 LEU 10 -6.190 -8.217 -6.462 75 HD13 LEU 10 3HD1 LEU 10 -4.750 -8.649 -7.383 76 HD21 LEU 10 3HD2 LEU 10 -8.360 -9.902 -7.237 77 HD22 LEU 10 1HD2 LEU 10 -7.173 -11.186 -7.470 78 HD23 LEU 10 2HD2 LEU 10 -8.155 -10.636 -8.829 79 H ALA 11 H ALA 11 -8.793 -8.127 -11.929 80 HA ALA 11 HA ALA 11 -9.538 -5.386 -12.414 81 HB1 ALA 11 1HB ALA 11 -11.193 -6.350 -13.960 82 HB2 ALA 11 2HB ALA 11 -9.564 -6.962 -14.251 83 HB3 ALA 11 3HB ALA 11 -10.745 -7.964 -13.408 84 H ALA 12 H ALA 12 -10.927 -8.178 -10.753 85 HA ALA 12 HA ALA 12 -13.438 -7.045 -10.171 86 HB1 ALA 12 1HB ALA 12 -12.111 -9.473 -9.654 87 HB2 ALA 12 2HB ALA 12 -12.639 -8.840 -8.094 88 HB3 ALA 12 3HB ALA 12 -13.811 -9.086 -9.388 89 H ARG 13 H ARG 13 -10.320 -6.473 -8.865 90 HA ARG 13 HA ARG 13 -11.217 -5.491 -6.314 91 HB2 ARG 13 2HB ARG 13 -8.672 -5.977 -7.639 92 HB3 ARG 13 3HB ARG 13 -8.676 -4.458 -6.753 93 HG2 ARG 13 2HG ARG 13 -9.363 -7.162 -5.619 94 HG3 ARG 13 3HG ARG 13 -7.847 -6.290 -5.383 95 HD2 ARG 13 2HD ARG 13 -9.420 -4.392 -4.512 96 HD3 ARG 13 3HD ARG 13 -10.564 -5.714 -4.286 97 HE ARG 13 HE ARG 13 -9.285 -6.494 -2.540 98 HH11 ARG 13 1HH1 ARG 13 -7.531 -4.044 -4.284 99 HH12 ARG 13 2HH1 ARG 13 -6.275 -3.914 -3.098 100 HH21 ARG 13 1HH2 ARG 13 -7.637 -6.332 -0.971 101 HH22 ARG 13 2HH2 ARG 13 -6.336 -5.216 -1.215 102 H LYS 14 H LYS 14 -10.253 -4.090 -9.406 103 HA LYS 14 HA LYS 14 -10.214 -1.397 -8.645 104 HB2 LYS 14 2HB LYS 14 -10.937 -2.608 -11.320 105 HB3 LYS 14 3HB LYS 14 -10.552 -0.913 -11.049 106 HG2 LYS 14 2HG LYS 14 -8.300 -1.477 -10.412 107 HG3 LYS 14 3HG LYS 14 -8.667 -3.201 -10.517 108 HD2 LYS 14 2HD LYS 14 -7.647 -2.828 -12.550 109 HD3 LYS 14 3HD LYS 14 -9.347 -2.608 -12.971 110 HE2 LYS 14 2HE LYS 14 -9.144 -0.261 -12.987 111 HE3 LYS 14 3HE LYS 14 -7.592 -0.310 -12.153 112 HZ1 LYS 14 3HZ LYS 14 -7.504 -1.768 -14.595 113 HZ2 LYS 14 1HZ LYS 14 -6.528 -0.488 -14.075 114 HZ3 LYS 14 2HZ LYS 14 -7.991 -0.170 -14.863 115 H LYS 15 H LYS 15 -11.891 -0.681 -7.424 116 HA LYS 15 HA LYS 15 -14.629 -1.255 -8.133 117 HB2 LYS 15 2HB LYS 15 -13.519 0.627 -6.041 118 HB3 LYS 15 3HB LYS 15 -15.197 0.118 -6.183 119 HG2 LYS 15 2HG LYS 15 -12.868 -1.702 -5.608 120 HG3 LYS 15 3HG LYS 15 -14.008 -1.080 -4.412 121 HD2 LYS 15 2HD LYS 15 -15.555 -2.605 -4.949 122 HD3 LYS 15 3HD LYS 15 -15.326 -2.346 -6.680 123 HE2 LYS 15 2HE LYS 15 -13.780 -4.011 -6.863 124 HE3 LYS 15 3HE LYS 15 -13.191 -3.794 -5.216 125 HZ1 LYS 15 3HZ LYS 15 -14.618 -5.868 -5.880 126 HZ2 LYS 15 1HZ LYS 15 -15.910 -4.815 -5.592 127 HZ3 LYS 15 2HZ LYS 15 -14.796 -5.143 -4.362 128 H ARG 16 H ARG 16 -13.332 1.931 -7.295 129 HA ARG 16 HA ARG 16 -15.029 3.163 -9.282 130 HB2 ARG 16 2HB ARG 16 -13.177 4.218 -7.160 131 HB3 ARG 16 3HB ARG 16 -13.883 5.283 -8.368 132 HG2 ARG 16 2HG ARG 16 -15.432 3.548 -6.455 133 HG3 ARG 16 3HG ARG 16 -15.151 5.281 -6.276 134 HD2 ARG 16 2HD ARG 16 -16.755 3.863 -8.388 135 HD3 ARG 16 3HD ARG 16 -17.316 5.042 -7.204 136 HE ARG 16 HE ARG 16 -16.180 5.595 -9.750 137 HH11 ARG 16 1HH1 ARG 16 -16.383 6.777 -6.481 138 HH12 ARG 16 2HH1 ARG 16 -16.120 8.431 -6.925 139 HH21 ARG 16 1HH2 ARG 16 -15.833 7.770 -10.346 140 HH22 ARG 16 2HH2 ARG 16 -15.808 8.995 -9.123 141 H ILE 17 H ILE 17 -11.749 2.163 -9.017 142 HA ILE 17 HA ILE 17 -10.644 3.935 -10.959 143 HB ILE 17 HB ILE 17 -8.820 2.111 -11.059 144 HG12 ILE 17 2HG1 ILE 17 -10.699 0.603 -9.773 145 HG13 ILE 17 3HG1 ILE 17 -8.970 0.273 -9.752 146 HG21 ILE 17 1HG2 ILE 17 -8.436 4.143 -9.888 147 HG22 ILE 17 2HG2 ILE 17 -9.489 3.651 -8.563 148 HG23 ILE 17 3HG2 ILE 17 -7.949 2.830 -8.816 149 HD11 ILE 17 3HD1 ILE 17 -10.331 1.980 -7.692 150 HD12 ILE 17 1HD1 ILE 17 -10.133 0.236 -7.527 151 HD13 ILE 17 2HD1 ILE 17 -8.715 1.278 -7.632 152 H SER 18 H SER 18 -12.092 0.732 -11.065 153 HA SER 18 HA SER 18 -11.351 -0.007 -13.655 154 HB2 SER 18 2HB SER 18 -12.305 -1.753 -12.468 155 HB3 SER 18 3HB SER 18 -13.606 -0.748 -11.831 156 HG SER 18 HG SER 18 -13.713 -2.356 -13.896 157 H VAL 19 H VAL 19 -14.436 1.441 -12.595 158 HA VAL 19 HA VAL 19 -15.463 1.874 -15.169 159 HB VAL 19 HB VAL 19 -16.915 1.945 -13.235 160 HG11 VAL 19 1HG1 VAL 19 -15.254 2.941 -11.682 161 HG12 VAL 19 2HG1 VAL 19 -15.534 4.506 -12.447 162 HG13 VAL 19 3HG1 VAL 19 -16.845 3.695 -11.589 163 HG21 VAL 19 3HG2 VAL 19 -17.157 4.761 -14.054 164 HG22 VAL 19 1HG2 VAL 19 -17.090 3.591 -15.372 165 HG23 VAL 19 2HG2 VAL 19 -18.334 3.450 -14.130 166 H LYS 20 H LYS 20 -13.491 3.915 -13.069 167 HA LYS 20 HA LYS 20 -13.621 6.274 -14.587 168 HB2 LYS 20 2HB LYS 20 -11.700 5.180 -12.569 169 HB3 LYS 20 3HB LYS 20 -11.271 6.631 -13.466 170 HG2 LYS 20 2HG LYS 20 -13.089 7.839 -12.580 171 HG3 LYS 20 3HG LYS 20 -13.856 6.375 -11.959 172 HD2 LYS 20 2HD LYS 20 -12.919 7.236 -10.040 173 HD3 LYS 20 3HD LYS 20 -11.636 6.155 -10.588 174 HE2 LYS 20 2HE LYS 20 -11.674 9.022 -11.445 175 HE3 LYS 20 3HE LYS 20 -11.047 8.576 -9.859 176 HZ1 LYS 20 3HZ LYS 20 -9.796 8.362 -12.384 177 HZ2 LYS 20 1HZ LYS 20 -9.901 6.830 -11.673 178 HZ3 LYS 20 2HZ LYS 20 -9.141 8.095 -10.847 179 H LYS 21 H LYS 21 -11.445 3.497 -14.751 180 HA LYS 21 HA LYS 21 -9.717 4.603 -16.718 181 HB2 LYS 21 2HB LYS 21 -9.059 2.741 -15.236 182 HB3 LYS 21 3HB LYS 21 -10.233 1.702 -16.034 183 HG2 LYS 21 2HG LYS 21 -8.190 3.039 -17.721 184 HG3 LYS 21 3HG LYS 21 -7.678 1.696 -16.696 185 HD2 LYS 21 2HD LYS 21 -9.696 0.446 -17.703 186 HD3 LYS 21 3HD LYS 21 -9.671 1.706 -18.939 187 HE2 LYS 21 2HE LYS 21 -8.401 -0.169 -19.731 188 HE3 LYS 21 3HE LYS 21 -7.290 1.152 -19.375 189 HZ1 LYS 21 3HZ LYS 21 -6.316 0.000 -17.734 190 HZ2 LYS 21 1HZ LYS 21 -6.964 -1.355 -18.512 191 HZ3 LYS 21 2HZ LYS 21 -7.764 -0.680 -17.184 192 H LYS 22 H LYS 22 -12.581 2.542 -16.855 193 HA LYS 22 HA LYS 22 -12.488 1.944 -19.599 194 HB2 LYS 22 2HB LYS 22 -13.928 0.703 -18.100 195 HB3 LYS 22 3HB LYS 22 -14.842 2.155 -17.714 196 HG2 LYS 22 2HG LYS 22 -15.648 2.270 -20.011 197 HG3 LYS 22 3HG LYS 22 -14.717 0.826 -20.414 198 HD2 LYS 22 2HD LYS 22 -16.714 0.780 -18.182 199 HD3 LYS 22 3HD LYS 22 -17.236 0.588 -19.857 200 HE2 LYS 22 2HE LYS 22 -15.042 -1.083 -18.666 201 HE3 LYS 22 3HE LYS 22 -16.740 -1.534 -18.524 202 HZ1 LYS 22 3HZ LYS 22 -16.703 -1.185 -21.086 203 HZ2 LYS 22 1HZ LYS 22 -16.132 -2.632 -20.420 204 HZ3 LYS 22 2HZ LYS 22 -15.039 -1.440 -20.915 205 H GLN 23 H GLN 23 -13.266 4.837 -17.937 206 HA GLN 23 HA GLN 23 -15.002 6.013 -19.839 207 HB2 GLN 23 2HB GLN 23 -13.146 7.325 -17.844 208 HB3 GLN 23 3HB GLN 23 -14.429 8.144 -18.725 209 HG2 GLN 23 2HG GLN 23 -15.769 6.066 -17.571 210 HG3 GLN 23 3HG GLN 23 -14.559 6.457 -16.349 211 HE21 GLN 23 1HE2 GLN 23 -16.023 7.287 -14.900 212 HE22 GLN 23 2HE2 GLN 23 -16.854 8.780 -15.154 213 H GLU 24 H GLU 24 -14.419 6.207 -21.909 214 HA GLU 24 HA GLU 24 -11.748 6.517 -22.798 215 HB2 GLU 24 2HB GLU 24 -13.934 5.675 -24.028 216 HB3 GLU 24 3HB GLU 24 -14.043 7.362 -24.509 217 HG2 GLU 24 2HG GLU 24 -12.923 6.130 -26.226 218 HG3 GLU 24 3HG GLU 24 -11.765 7.205 -25.446 219 H GLN 25 H GLN 25 -10.806 8.326 -23.887 220 HA GLN 25 HA GLN 25 -11.156 10.773 -22.505 221 HB2 GLN 25 2HB GLN 25 -9.471 9.825 -24.770 222 HB3 GLN 25 3HB GLN 25 -9.656 11.561 -24.558 223 HG2 GLN 25 2HG GLN 25 -7.651 10.664 -23.457 224 HG3 GLN 25 3HG GLN 25 -8.765 11.437 -22.331 225 HE21 GLN 25 1HE2 GLN 25 -7.466 8.403 -23.453 226 HE22 GLN 25 2HE2 GLN 25 -7.954 7.462 -22.088 227 HA PRO 26 HA PRO 26 -14.131 12.959 -24.872 228 HB2 PRO 26 2HB PRO 26 -13.097 15.468 -24.945 229 HB3 PRO 26 3HB PRO 26 -13.782 14.754 -23.480 230 HG2 PRO 26 2HG PRO 26 -10.915 15.002 -24.304 231 HG3 PRO 26 3HG PRO 26 -11.651 15.282 -22.715 232 HD2 PRO 26 2HD PRO 26 -10.334 12.997 -23.328 233 HD3 PRO 26 3HD PRO 26 -11.710 13.034 -22.207 Start of MODEL 8 1 H1 VAL 1 H VAL 1 2.184 0.671 0.212 2 HA VAL 1 HA VAL 1 2.216 0.798 -2.603 3 HB VAL 1 HB VAL 1 4.507 -0.098 -2.448 4 HG11 VAL 1 1HG1 VAL 1 4.031 2.296 -2.053 5 HG12 VAL 1 2HG1 VAL 1 3.941 1.965 -0.321 6 HG13 VAL 1 3HG1 VAL 1 5.459 1.728 -1.188 7 HG21 VAL 1 3HG2 VAL 1 4.293 -1.731 -0.724 8 HG22 VAL 1 1HG2 VAL 1 5.432 -0.512 -0.153 9 HG23 VAL 1 2HG2 VAL 1 3.773 -0.517 0.445 10 H SER 2 H SER 2 1.700 -1.824 -0.373 11 HA SER 2 HA SER 2 2.104 -3.896 -2.334 12 HB2 SER 2 2HB SER 2 2.553 -4.341 0.034 13 HB3 SER 2 3HB SER 2 0.866 -4.011 0.428 14 HG SER 2 HG SER 2 2.009 -6.274 -0.574 15 H VAL 3 H VAL 3 -0.466 -1.844 -1.386 16 HA VAL 3 HA VAL 3 -2.586 -3.577 -2.304 17 HB VAL 3 HB VAL 3 -4.079 -1.712 -1.868 18 HG11 VAL 3 1HG1 VAL 3 -2.661 -1.264 0.550 19 HG12 VAL 3 2HG1 VAL 3 -4.026 -2.344 0.259 20 HG13 VAL 3 3HG1 VAL 3 -2.375 -2.930 0.049 21 HG21 VAL 3 3HG2 VAL 3 -2.639 0.087 -2.703 22 HG22 VAL 3 1HG2 VAL 3 -3.249 0.443 -1.087 23 HG23 VAL 3 2HG2 VAL 3 -1.587 -0.106 -1.301 24 H ASP 4 H ASP 4 -0.479 -1.222 -3.664 25 HA ASP 4 HA ASP 4 -2.018 -0.282 -5.804 26 HB2 ASP 4 2HB ASP 4 0.680 -0.087 -4.944 27 HB3 ASP 4 3HB ASP 4 0.706 -0.584 -6.634 28 HA PRO 5 HA PRO 5 -0.177 -3.949 -8.380 29 HB2 PRO 5 2HB PRO 5 0.913 -5.998 -6.971 30 HB3 PRO 5 3HB PRO 5 1.852 -4.608 -7.528 31 HG2 PRO 5 2HG PRO 5 0.690 -5.147 -4.823 32 HG3 PRO 5 3HG PRO 5 2.287 -4.503 -5.246 33 HD2 PRO 5 2HD PRO 5 0.245 -2.920 -4.435 34 HD3 PRO 5 3HD PRO 5 1.475 -2.374 -5.594 35 H PHE 6 H PHE 6 -1.631 -4.604 -5.245 36 HA PHE 6 HA PHE 6 -2.865 -7.046 -5.826 37 HB2 PHE 6 2HB PHE 6 -2.655 -5.766 -3.576 38 HB3 PHE 6 3HB PHE 6 -4.155 -4.984 -4.062 39 HD1 PHE 6 HD2 PHE 6 -2.595 -8.163 -3.105 40 HD2 PHE 6 HD1 PHE 6 -6.233 -6.167 -4.053 41 HE1 PHE 6 HE2 PHE 6 -3.869 -10.076 -2.228 42 HE2 PHE 6 HE1 PHE 6 -7.513 -8.076 -3.177 43 HZ PHE 6 HZ PHE 6 -6.331 -10.035 -2.264 44 H TYR 7 H TYR 7 -4.345 -3.799 -5.852 45 HA TYR 7 HA TYR 7 -6.698 -4.704 -7.182 46 HB2 TYR 7 2HB TYR 7 -7.504 -2.610 -6.812 47 HB3 TYR 7 3HB TYR 7 -6.143 -2.524 -5.700 48 HD1 TYR 7 HD2 TYR 7 -4.069 -1.335 -6.381 49 HD2 TYR 7 HD1 TYR 7 -7.587 -1.257 -8.772 50 HE1 TYR 7 HE2 TYR 7 -3.190 0.611 -7.601 51 HE2 TYR 7 HE1 TYR 7 -6.717 0.689 -10.000 52 HH TYR 7 HH TYR 7 -4.797 2.659 -9.203 53 H GLU 8 H GLU 8 -3.583 -3.743 -8.233 54 HA GLU 8 HA GLU 8 -4.320 -2.864 -10.853 55 HB2 GLU 8 2HB GLU 8 -1.791 -3.426 -9.406 56 HB3 GLU 8 3HB GLU 8 -1.733 -3.525 -11.160 57 HG2 GLU 8 2HG GLU 8 -2.546 -1.250 -11.343 58 HG3 GLU 8 3HG GLU 8 -2.693 -1.143 -9.590 59 H MET 9 H MET 9 -3.158 -5.905 -9.469 60 HA MET 9 HA MET 9 -3.140 -7.243 -12.021 61 HB2 MET 9 2HB MET 9 -2.457 -9.198 -10.805 62 HB3 MET 9 3HB MET 9 -1.577 -7.819 -10.159 63 HG2 MET 9 2HG MET 9 -3.174 -7.707 -8.291 64 HG3 MET 9 3HG MET 9 -3.983 -9.138 -8.926 65 HE1 MET 9 3HE MET 9 -0.221 -8.126 -8.661 66 HE2 MET 9 1HE MET 9 -0.811 -7.750 -7.041 67 HE3 MET 9 2HE MET 9 0.324 -9.079 -7.279 68 H LEU 10 H LEU 10 -5.241 -7.114 -9.190 69 HA LEU 10 HA LEU 10 -7.052 -9.101 -10.226 70 HB2 LEU 10 2HB LEU 10 -6.887 -7.398 -7.800 71 HB3 LEU 10 3HB LEU 10 -8.476 -8.001 -8.268 72 HG LEU 10 HG LEU 10 -6.958 -10.275 -8.352 73 HD11 LEU 10 1HD1 LEU 10 -6.092 -8.903 -5.836 74 HD12 LEU 10 2HD1 LEU 10 -5.122 -8.801 -7.305 75 HD13 LEU 10 3HD1 LEU 10 -5.461 -10.373 -6.580 76 HD21 LEU 10 3HD2 LEU 10 -8.155 -9.555 -5.741 77 HD22 LEU 10 1HD2 LEU 10 -8.382 -10.991 -6.740 78 HD23 LEU 10 2HD2 LEU 10 -9.209 -9.490 -7.154 79 H ALA 11 H ALA 11 -8.843 -8.787 -11.405 80 HA ALA 11 HA ALA 11 -9.338 -6.169 -12.503 81 HB1 ALA 11 1HB ALA 11 -9.811 -7.527 -14.211 82 HB2 ALA 11 2HB ALA 11 -10.056 -8.917 -13.153 83 HB3 ALA 11 3HB ALA 11 -11.369 -7.771 -13.421 84 H ALA 12 H ALA 12 -11.260 -8.522 -10.639 85 HA ALA 12 HA ALA 12 -13.533 -6.920 -10.312 86 HB1 ALA 12 1HB ALA 12 -12.559 -9.430 -9.299 87 HB2 ALA 12 2HB ALA 12 -13.355 -8.510 -8.021 88 HB3 ALA 12 3HB ALA 12 -14.219 -8.875 -9.514 89 H ARG 13 H ARG 13 -10.437 -6.734 -8.849 90 HA ARG 13 HA ARG 13 -11.182 -5.460 -6.421 91 HB2 ARG 13 2HB ARG 13 -8.665 -5.939 -7.912 92 HB3 ARG 13 3HB ARG 13 -8.660 -4.590 -6.784 93 HG2 ARG 13 2HG ARG 13 -9.725 -7.179 -5.813 94 HG3 ARG 13 3HG ARG 13 -7.983 -7.048 -6.066 95 HD2 ARG 13 2HD ARG 13 -8.550 -6.480 -3.775 96 HD3 ARG 13 3HD ARG 13 -7.935 -5.063 -4.626 97 HE ARG 13 HE ARG 13 -10.703 -5.529 -3.795 98 HH11 ARG 13 1HH1 ARG 13 -8.302 -3.465 -5.241 99 HH12 ARG 13 2HH1 ARG 13 -9.281 -2.039 -5.145 100 HH21 ARG 13 1HH2 ARG 13 -12.002 -3.659 -3.662 101 HH22 ARG 13 2HH2 ARG 13 -11.385 -2.150 -4.246 102 H LYS 14 H LYS 14 -10.099 -4.244 -9.573 103 HA LYS 14 HA LYS 14 -10.029 -1.522 -8.923 104 HB2 LYS 14 2HB LYS 14 -10.652 -2.824 -11.580 105 HB3 LYS 14 3HB LYS 14 -10.228 -1.132 -11.357 106 HG2 LYS 14 2HG LYS 14 -8.024 -1.687 -10.672 107 HG3 LYS 14 3HG LYS 14 -8.426 -3.402 -10.555 108 HD2 LYS 14 2HD LYS 14 -8.927 -3.320 -13.034 109 HD3 LYS 14 3HD LYS 14 -8.189 -1.716 -13.039 110 HE2 LYS 14 2HE LYS 14 -6.338 -2.925 -13.539 111 HE3 LYS 14 3HE LYS 14 -6.255 -3.056 -11.783 112 HZ1 LYS 14 3HZ LYS 14 -6.085 -5.165 -13.282 113 HZ2 LYS 14 1HZ LYS 14 -7.774 -5.072 -13.277 114 HZ3 LYS 14 2HZ LYS 14 -6.931 -5.223 -11.818 115 H LYS 15 H LYS 15 -11.730 -0.663 -7.856 116 HA LYS 15 HA LYS 15 -14.450 -1.227 -8.637 117 HB2 LYS 15 2HB LYS 15 -13.286 0.674 -6.596 118 HB3 LYS 15 3HB LYS 15 -15.011 0.432 -6.845 119 HG2 LYS 15 2HG LYS 15 -13.048 -1.690 -5.998 120 HG3 LYS 15 3HG LYS 15 -14.176 -0.841 -4.938 121 HD2 LYS 15 2HD LYS 15 -14.925 -2.600 -7.274 122 HD3 LYS 15 3HD LYS 15 -15.031 -3.045 -5.569 123 HE2 LYS 15 2HE LYS 15 -16.556 -1.031 -5.296 124 HE3 LYS 15 3HE LYS 15 -16.619 -0.969 -7.057 125 HZ1 LYS 15 3HZ LYS 15 -17.672 -3.035 -5.241 126 HZ2 LYS 15 1HZ LYS 15 -17.288 -3.431 -6.840 127 HZ3 LYS 15 2HZ LYS 15 -18.447 -2.242 -6.519 128 H ARG 16 H ARG 16 -13.041 1.968 -8.015 129 HA ARG 16 HA ARG 16 -14.676 3.128 -10.087 130 HB2 ARG 16 2HB ARG 16 -14.370 4.370 -8.037 131 HB3 ARG 16 3HB ARG 16 -12.622 4.325 -8.223 132 HG2 ARG 16 2HG ARG 16 -12.616 6.118 -9.536 133 HG3 ARG 16 3HG ARG 16 -13.944 5.501 -10.521 134 HD2 ARG 16 2HD ARG 16 -15.447 6.762 -9.456 135 HD3 ARG 16 3HD ARG 16 -14.813 6.313 -7.873 136 HE ARG 16 HE ARG 16 -14.317 8.729 -9.272 137 HH11 ARG 16 1HH1 ARG 16 -12.804 6.392 -7.181 138 HH12 ARG 16 2HH1 ARG 16 -11.678 7.527 -6.513 139 HH21 ARG 16 1HH2 ARG 16 -12.840 10.231 -8.400 140 HH22 ARG 16 2HH2 ARG 16 -11.699 9.710 -7.206 141 H ILE 17 H ILE 17 -11.259 2.430 -9.575 142 HA ILE 17 HA ILE 17 -10.182 3.805 -11.746 143 HB ILE 17 HB ILE 17 -8.405 1.948 -11.693 144 HG12 ILE 17 2HG1 ILE 17 -10.340 0.581 -10.310 145 HG13 ILE 17 3HG1 ILE 17 -8.625 0.184 -10.306 146 HG21 ILE 17 1HG2 ILE 17 -8.003 4.048 -10.641 147 HG22 ILE 17 2HG2 ILE 17 -9.055 3.637 -9.288 148 HG23 ILE 17 3HG2 ILE 17 -7.524 2.788 -9.504 149 HD11 ILE 17 3HD1 ILE 17 -8.283 1.314 -8.254 150 HD12 ILE 17 1HD1 ILE 17 -9.890 2.039 -8.311 151 HD13 ILE 17 2HD1 ILE 17 -9.714 0.302 -8.058 152 H SER 18 H SER 18 -11.725 0.648 -11.577 153 HA SER 18 HA SER 18 -11.021 -0.321 -14.104 154 HB2 SER 18 2HB SER 18 -12.002 -1.932 -12.749 155 HB3 SER 18 3HB SER 18 -13.291 -0.852 -12.221 156 HG SER 18 HG SER 18 -13.939 -2.512 -13.743 157 H VAL 19 H VAL 19 -14.141 1.147 -13.180 158 HA VAL 19 HA VAL 19 -15.106 1.450 -15.789 159 HB VAL 19 HB VAL 19 -16.606 1.591 -13.899 160 HG11 VAL 19 1HG1 VAL 19 -15.280 4.205 -13.197 161 HG12 VAL 19 2HG1 VAL 19 -16.600 3.414 -12.333 162 HG13 VAL 19 3HG1 VAL 19 -14.995 2.682 -12.355 163 HG21 VAL 19 3HG2 VAL 19 -16.663 3.247 -16.102 164 HG22 VAL 19 1HG2 VAL 19 -18.005 2.940 -14.999 165 HG23 VAL 19 2HG2 VAL 19 -16.970 4.348 -14.759 166 H LYS 20 H LYS 20 -13.216 3.625 -13.749 167 HA LYS 20 HA LYS 20 -13.334 5.861 -15.491 168 HB2 LYS 20 2HB LYS 20 -12.772 6.172 -13.163 169 HB3 LYS 20 3HB LYS 20 -11.371 5.121 -13.316 170 HG2 LYS 20 2HG LYS 20 -10.188 6.702 -14.588 171 HG3 LYS 20 3HG LYS 20 -11.639 7.661 -14.891 172 HD2 LYS 20 2HD LYS 20 -11.749 8.271 -12.538 173 HD3 LYS 20 3HD LYS 20 -10.342 7.263 -12.194 174 HE2 LYS 20 2HE LYS 20 -8.987 8.671 -13.680 175 HE3 LYS 20 3HE LYS 20 -10.395 9.683 -13.995 176 HZ1 LYS 20 3HZ LYS 20 -9.830 10.868 -12.228 177 HZ2 LYS 20 1HZ LYS 20 -8.576 9.801 -11.837 178 HZ3 LYS 20 2HZ LYS 20 -10.136 9.527 -11.243 179 H LYS 21 H LYS 21 -11.539 2.944 -15.542 180 HA LYS 21 HA LYS 21 -9.365 3.942 -17.147 181 HB2 LYS 21 2HB LYS 21 -9.023 2.041 -15.645 182 HB3 LYS 21 3HB LYS 21 -10.229 1.111 -16.524 183 HG2 LYS 21 2HG LYS 21 -7.939 2.186 -18.067 184 HG3 LYS 21 3HG LYS 21 -7.632 0.844 -16.963 185 HD2 LYS 21 2HD LYS 21 -9.652 -0.278 -18.081 186 HD3 LYS 21 3HD LYS 21 -9.463 0.943 -19.342 187 HE2 LYS 21 2HE LYS 21 -7.317 -0.974 -18.437 188 HE3 LYS 21 3HE LYS 21 -8.312 -1.173 -19.878 189 HZ1 LYS 21 3HZ LYS 21 -7.383 0.814 -20.804 190 HZ2 LYS 21 1HZ LYS 21 -6.112 -0.199 -20.334 191 HZ3 LYS 21 2HZ LYS 21 -6.519 1.141 -19.387 192 H LYS 22 H LYS 22 -12.248 1.947 -17.711 193 HA LYS 22 HA LYS 22 -11.788 1.667 -20.509 194 HB2 LYS 22 2HB LYS 22 -14.203 1.207 -18.764 195 HB3 LYS 22 3HB LYS 22 -14.234 0.943 -20.502 196 HG2 LYS 22 2HG LYS 22 -12.473 -0.722 -20.297 197 HG3 LYS 22 3HG LYS 22 -12.398 -0.441 -18.556 198 HD2 LYS 22 2HD LYS 22 -15.019 -1.160 -19.779 199 HD3 LYS 22 3HD LYS 22 -13.810 -2.427 -19.562 200 HE2 LYS 22 2HE LYS 22 -13.632 -1.631 -17.155 201 HE3 LYS 22 3HE LYS 22 -15.092 -0.693 -17.465 202 HZ1 LYS 22 3HZ LYS 22 -15.746 -2.746 -16.512 203 HZ2 LYS 22 1HZ LYS 22 -14.791 -3.640 -17.585 204 HZ3 LYS 22 2HZ LYS 22 -16.158 -2.822 -18.151 205 H GLN 23 H GLN 23 -13.112 4.146 -18.550 206 HA GLN 23 HA GLN 23 -14.907 5.342 -20.349 207 HB2 GLN 23 2HB GLN 23 -13.338 6.326 -17.996 208 HB3 GLN 23 3HB GLN 23 -14.216 7.475 -18.997 209 HG2 GLN 23 2HG GLN 23 -15.674 5.083 -18.023 210 HG3 GLN 23 3HG GLN 23 -15.295 6.356 -16.864 211 HE21 GLN 23 1HE2 GLN 23 -17.542 6.731 -16.648 212 HE22 GLN 23 2HE2 GLN 23 -18.409 7.635 -17.838 213 H GLU 24 H GLU 24 -14.574 6.333 -22.220 214 HA GLU 24 HA GLU 24 -12.035 6.651 -23.369 215 HB2 GLU 24 2HB GLU 24 -13.216 7.958 -25.118 216 HB3 GLU 24 3HB GLU 24 -13.993 6.422 -24.761 217 HG2 GLU 24 2HG GLU 24 -15.505 7.758 -23.194 218 HG3 GLU 24 3HG GLU 24 -14.881 9.185 -24.021 219 H GLN 25 H GLN 25 -14.162 8.948 -21.732 220 HA GLN 25 HA GLN 25 -12.558 11.236 -22.243 221 HB2 GLN 25 2HB GLN 25 -14.879 10.590 -20.503 222 HB3 GLN 25 3HB GLN 25 -13.914 11.993 -20.061 223 HG2 GLN 25 2HG GLN 25 -14.238 12.865 -22.365 224 HG3 GLN 25 3HG GLN 25 -15.334 11.518 -22.670 225 HE21 GLN 25 1HE2 GLN 25 -15.431 14.625 -22.213 226 HE22 GLN 25 2HE2 GLN 25 -16.856 14.804 -21.252 227 HA PRO 26 HA PRO 26 -9.405 11.018 -19.203 228 HB2 PRO 26 2HB PRO 26 -9.246 13.585 -18.334 229 HB3 PRO 26 3HB PRO 26 -8.689 13.075 -19.932 230 HG2 PRO 26 2HG PRO 26 -11.262 14.393 -19.155 231 HG3 PRO 26 3HG PRO 26 -10.208 14.728 -20.540 232 HD2 PRO 26 2HD PRO 26 -12.469 13.255 -20.754 233 HD3 PRO 26 3HD PRO 26 -11.038 12.958 -21.761 Start of MODEL 9 1 H1 VAL 1 H VAL 1 1.950 0.376 1.182 2 HA VAL 1 HA VAL 1 1.960 0.873 -1.585 3 HB VAL 1 HB VAL 1 4.316 0.280 -1.549 4 HG11 VAL 1 1HG1 VAL 1 3.816 2.456 -0.715 5 HG12 VAL 1 2HG1 VAL 1 3.376 1.812 0.868 6 HG13 VAL 1 3HG1 VAL 1 5.055 1.762 0.329 7 HG21 VAL 1 3HG2 VAL 1 5.011 -0.367 1.003 8 HG22 VAL 1 1HG2 VAL 1 3.496 -1.250 0.813 9 HG23 VAL 1 2HG2 VAL 1 4.825 -1.526 -0.313 10 H SER 2 H SER 2 1.600 -2.049 0.239 11 HA SER 2 HA SER 2 2.256 -3.810 -1.945 12 HB2 SER 2 2HB SER 2 1.511 -5.603 -0.439 13 HB3 SER 2 3HB SER 2 2.620 -4.508 0.387 14 HG SER 2 HG SER 2 0.860 -3.547 1.401 15 H VAL 3 H VAL 3 -0.509 -2.092 -0.887 16 HA VAL 3 HA VAL 3 -2.440 -3.838 -2.138 17 HB VAL 3 HB VAL 3 -4.097 -2.175 -1.540 18 HG11 VAL 3 1HG1 VAL 3 -4.096 -2.721 0.642 19 HG12 VAL 3 2HG1 VAL 3 -2.669 -3.667 0.216 20 HG13 VAL 3 3HG1 VAL 3 -2.485 -2.057 0.913 21 HG21 VAL 3 3HG2 VAL 3 -3.249 -0.133 -0.230 22 HG22 VAL 3 1HG2 VAL 3 -1.697 -0.459 -1.001 23 HG23 VAL 3 2HG2 VAL 3 -3.115 -0.103 -1.988 24 H ASP 4 H ASP 4 -0.470 -1.170 -3.059 25 HA ASP 4 HA ASP 4 -1.977 -0.068 -5.141 26 HB2 ASP 4 2HB ASP 4 0.657 0.202 -4.117 27 HB3 ASP 4 3HB ASP 4 0.795 -0.056 -5.854 28 HA PRO 5 HA PRO 5 0.262 -3.218 -8.064 29 HB2 PRO 5 2HB PRO 5 1.436 -5.356 -6.873 30 HB3 PRO 5 3HB PRO 5 2.292 -3.843 -7.189 31 HG2 PRO 5 2HG PRO 5 1.045 -4.819 -4.649 32 HG3 PRO 5 3HG PRO 5 2.607 -4.015 -4.891 33 HD2 PRO 5 2HD PRO 5 0.414 -2.699 -4.001 34 HD3 PRO 5 3HD PRO 5 1.653 -1.920 -5.006 35 H PHE 6 H PHE 6 -1.214 -4.466 -5.111 36 HA PHE 6 HA PHE 6 -2.267 -6.847 -6.138 37 HB2 PHE 6 2HB PHE 6 -2.165 -6.003 -3.696 38 HB3 PHE 6 3HB PHE 6 -3.691 -5.204 -4.059 39 HD1 PHE 6 HD2 PHE 6 -5.690 -6.528 -4.581 40 HD2 PHE 6 HD1 PHE 6 -2.035 -8.363 -3.401 41 HE1 PHE 6 HE2 PHE 6 -6.899 -8.616 -4.096 42 HE2 PHE 6 HE1 PHE 6 -3.238 -10.454 -2.916 43 HZ PHE 6 HZ PHE 6 -5.673 -10.582 -3.262 44 H TYR 7 H TYR 7 -3.861 -3.682 -5.745 45 HA TYR 7 HA TYR 7 -6.181 -4.507 -7.209 46 HB2 TYR 7 2HB TYR 7 -7.106 -2.575 -6.477 47 HB3 TYR 7 3HB TYR 7 -5.711 -2.532 -5.404 48 HD1 TYR 7 HD2 TYR 7 -3.818 -1.042 -5.886 49 HD2 TYR 7 HD1 TYR 7 -7.311 -1.037 -8.316 50 HE1 TYR 7 HE2 TYR 7 -3.137 1.115 -6.852 51 HE2 TYR 7 HE1 TYR 7 -6.639 1.119 -9.289 52 HH TYR 7 HH TYR 7 -4.019 2.978 -8.003 53 H GLU 8 H GLU 8 -3.099 -3.371 -8.069 54 HA GLU 8 HA GLU 8 -3.875 -2.107 -10.539 55 HB2 GLU 8 2HB GLU 8 -1.333 -2.656 -9.113 56 HB3 GLU 8 3HB GLU 8 -1.237 -2.510 -10.862 57 HG2 GLU 8 2HG GLU 8 -2.575 -0.438 -9.158 58 HG3 GLU 8 3HG GLU 8 -0.846 -0.411 -9.497 59 H MET 9 H MET 9 -2.532 -5.219 -9.547 60 HA MET 9 HA MET 9 -2.322 -6.181 -12.255 61 HB2 MET 9 2HB MET 9 -1.678 -8.313 -11.212 62 HB3 MET 9 3HB MET 9 -0.746 -6.966 -10.571 63 HG2 MET 9 2HG MET 9 -2.645 -6.977 -8.743 64 HG3 MET 9 3HG MET 9 -2.796 -8.656 -9.253 65 HE1 MET 9 3HE MET 9 -0.204 -10.438 -7.396 66 HE2 MET 9 1HE MET 9 -1.861 -10.325 -7.990 67 HE3 MET 9 2HE MET 9 -0.520 -10.415 -9.132 68 H LEU 10 H LEU 10 -4.504 -6.655 -9.514 69 HA LEU 10 HA LEU 10 -6.133 -8.574 -10.895 70 HB2 LEU 10 2HB LEU 10 -6.102 -7.273 -8.254 71 HB3 LEU 10 3HB LEU 10 -7.695 -7.722 -8.858 72 HG LEU 10 HG LEU 10 -6.866 -9.471 -7.438 73 HD11 LEU 10 1HD1 LEU 10 -8.080 -10.001 -9.610 74 HD12 LEU 10 2HD1 LEU 10 -7.187 -11.317 -8.849 75 HD13 LEU 10 3HD1 LEU 10 -6.505 -10.479 -10.243 76 HD21 LEU 10 3HD2 LEU 10 -4.801 -10.619 -7.799 77 HD22 LEU 10 1HD2 LEU 10 -4.454 -8.891 -7.727 78 HD23 LEU 10 2HD2 LEU 10 -4.497 -9.718 -9.285 79 H ALA 11 H ALA 11 -7.833 -8.217 -12.176 80 HA ALA 11 HA ALA 11 -8.513 -5.509 -12.892 81 HB1 ALA 11 1HB ALA 11 -10.263 -6.923 -14.314 82 HB2 ALA 11 2HB ALA 11 -8.571 -6.758 -14.788 83 HB3 ALA 11 3HB ALA 11 -9.114 -8.211 -13.949 84 H ALA 12 H ALA 12 -10.071 -8.206 -11.228 85 HA ALA 12 HA ALA 12 -12.618 -6.986 -10.970 86 HB1 ALA 12 1HB ALA 12 -11.574 -9.481 -10.453 87 HB2 ALA 12 2HB ALA 12 -11.952 -8.859 -8.846 88 HB3 ALA 12 3HB ALA 12 -13.211 -8.943 -10.078 89 H ARG 13 H ARG 13 -9.638 -6.548 -9.329 90 HA ARG 13 HA ARG 13 -10.685 -5.598 -6.851 91 HB2 ARG 13 2HB ARG 13 -8.070 -5.938 -8.083 92 HB3 ARG 13 3HB ARG 13 -8.176 -4.442 -7.163 93 HG2 ARG 13 2HG ARG 13 -8.777 -7.204 -6.123 94 HG3 ARG 13 3HG ARG 13 -7.323 -6.259 -5.796 95 HD2 ARG 13 2HD ARG 13 -8.956 -4.472 -4.907 96 HD3 ARG 13 3HD ARG 13 -10.132 -5.784 -4.865 97 HE ARG 13 HE ARG 13 -9.016 -6.700 -3.073 98 HH11 ARG 13 1HH1 ARG 13 -7.102 -4.158 -4.486 99 HH12 ARG 13 2HH1 ARG 13 -5.956 -4.121 -3.187 100 HH21 ARG 13 1HH2 ARG 13 -7.514 -6.661 -1.357 101 HH22 ARG 13 2HH2 ARG 13 -6.191 -5.545 -1.408 102 H LYS 14 H LYS 14 -10.315 -4.235 -9.972 103 HA LYS 14 HA LYS 14 -10.101 -1.499 -9.225 104 HB2 LYS 14 2HB LYS 14 -11.109 -2.756 -11.784 105 HB3 LYS 14 3HB LYS 14 -10.750 -1.048 -11.575 106 HG2 LYS 14 2HG LYS 14 -8.425 -1.509 -11.248 107 HG3 LYS 14 3HG LYS 14 -8.727 -3.248 -11.222 108 HD2 LYS 14 2HD LYS 14 -9.348 -3.243 -13.532 109 HD3 LYS 14 3HD LYS 14 -9.324 -1.479 -13.589 110 HE2 LYS 14 2HE LYS 14 -7.270 -1.854 -14.470 111 HE3 LYS 14 3HE LYS 14 -6.819 -1.907 -12.767 112 HZ1 LYS 14 3HZ LYS 14 -5.938 -3.776 -14.108 113 HZ2 LYS 14 1HZ LYS 14 -7.524 -4.305 -14.368 114 HZ3 LYS 14 2HZ LYS 14 -6.888 -4.276 -12.801 115 H LYS 15 H LYS 15 -11.634 -0.824 -7.805 116 HA LYS 15 HA LYS 15 -14.424 -1.458 -8.182 117 HB2 LYS 15 2HB LYS 15 -12.991 0.323 -6.207 118 HB3 LYS 15 3HB LYS 15 -14.731 0.069 -6.204 119 HG2 LYS 15 2HG LYS 15 -12.636 -2.061 -5.823 120 HG3 LYS 15 3HG LYS 15 -13.626 -1.335 -4.555 121 HD2 LYS 15 2HD LYS 15 -14.635 -2.948 -6.898 122 HD3 LYS 15 3HD LYS 15 -14.524 -3.500 -5.225 123 HE2 LYS 15 2HE LYS 15 -16.072 -1.642 -4.595 124 HE3 LYS 15 3HE LYS 15 -16.276 -1.301 -6.312 125 HZ1 LYS 15 3HZ LYS 15 -17.696 -3.115 -4.797 126 HZ2 LYS 15 1HZ LYS 15 -16.692 -4.054 -5.783 127 HZ3 LYS 15 2HZ LYS 15 -17.748 -2.930 -6.478 128 H ARG 16 H ARG 16 -13.140 1.759 -7.472 129 HA ARG 16 HA ARG 16 -15.076 2.949 -9.250 130 HB2 ARG 16 2HB ARG 16 -14.579 3.976 -7.076 131 HB3 ARG 16 3HB ARG 16 -12.909 4.220 -7.569 132 HG2 ARG 16 2HG ARG 16 -14.217 6.273 -7.734 133 HG3 ARG 16 3HG ARG 16 -13.622 5.751 -9.311 134 HD2 ARG 16 2HD ARG 16 -15.793 4.809 -9.847 135 HD3 ARG 16 3HD ARG 16 -16.394 5.230 -8.244 136 HE ARG 16 HE ARG 16 -16.157 6.966 -10.505 137 HH11 ARG 16 1HH1 ARG 16 -16.129 6.837 -7.026 138 HH12 ARG 16 2HH1 ARG 16 -16.629 8.484 -6.831 139 HH21 ARG 16 1HH2 ARG 16 -16.815 9.136 -10.261 140 HH22 ARG 16 2HH2 ARG 16 -17.020 9.791 -8.672 141 H ILE 17 H ILE 17 -11.771 2.021 -9.382 142 HA ILE 17 HA ILE 17 -10.944 3.827 -11.432 143 HB ILE 17 HB ILE 17 -9.094 2.060 -11.750 144 HG12 ILE 17 2HG1 ILE 17 -10.769 0.486 -10.278 145 HG13 ILE 17 3HG1 ILE 17 -9.039 0.210 -10.451 146 HG21 ILE 17 1HG2 ILE 17 -7.995 2.786 -9.610 147 HG22 ILE 17 2HG2 ILE 17 -8.634 4.091 -10.608 148 HG23 ILE 17 3HG2 ILE 17 -9.518 3.562 -9.177 149 HD11 ILE 17 3HD1 ILE 17 -9.958 0.123 -8.112 150 HD12 ILE 17 1HD1 ILE 17 -8.578 1.192 -8.362 151 HD13 ILE 17 2HD1 ILE 17 -10.204 1.865 -8.237 152 H SER 18 H SER 18 -12.315 0.589 -11.375 153 HA SER 18 HA SER 18 -11.862 -0.132 -14.037 154 HB2 SER 18 2HB SER 18 -12.620 -1.898 -12.736 155 HB3 SER 18 3HB SER 18 -13.879 -0.929 -11.970 156 HG SER 18 HG SER 18 -14.359 -2.583 -13.780 157 H VAL 19 H VAL 19 -14.835 1.238 -12.614 158 HA VAL 19 HA VAL 19 -16.172 1.640 -15.047 159 HB VAL 19 HB VAL 19 -17.385 1.674 -12.953 160 HG11 VAL 19 1HG1 VAL 19 -15.577 2.719 -11.609 161 HG12 VAL 19 2HG1 VAL 19 -15.991 4.275 -12.331 162 HG13 VAL 19 3HG1 VAL 19 -17.166 3.428 -11.324 163 HG21 VAL 19 3HG2 VAL 19 -18.039 3.124 -15.013 164 HG22 VAL 19 1HG2 VAL 19 -18.906 3.330 -13.490 165 HG23 VAL 19 2HG2 VAL 19 -17.651 4.480 -13.954 166 H LYS 20 H LYS 20 -14.018 3.734 -13.191 167 HA LYS 20 HA LYS 20 -14.391 6.079 -14.704 168 HB2 LYS 20 2HB LYS 20 -13.333 6.125 -12.513 169 HB3 LYS 20 3HB LYS 20 -11.996 5.149 -13.109 170 HG2 LYS 20 2HG LYS 20 -11.148 6.904 -14.408 171 HG3 LYS 20 3HG LYS 20 -12.647 7.828 -14.290 172 HD2 LYS 20 2HD LYS 20 -12.234 8.049 -11.839 173 HD3 LYS 20 3HD LYS 20 -10.663 7.281 -12.084 174 HE2 LYS 20 2HE LYS 20 -10.167 9.105 -13.754 175 HE3 LYS 20 3HE LYS 20 -11.630 9.910 -13.189 176 HZ1 LYS 20 3HZ LYS 20 -9.229 10.338 -12.143 177 HZ2 LYS 20 1HZ LYS 20 -9.754 9.090 -11.129 178 HZ3 LYS 20 2HZ LYS 20 -10.663 10.510 -11.263 179 H LYS 21 H LYS 21 -12.141 3.377 -15.045 180 HA LYS 21 HA LYS 21 -10.656 4.514 -17.186 181 HB2 LYS 21 2HB LYS 21 -9.810 2.691 -15.730 182 HB3 LYS 21 3HB LYS 21 -10.987 1.600 -16.449 183 HG2 LYS 21 2HG LYS 21 -9.122 3.036 -18.259 184 HG3 LYS 21 3HG LYS 21 -8.493 1.702 -17.290 185 HD2 LYS 21 2HD LYS 21 -10.651 0.483 -18.198 186 HD3 LYS 21 3HD LYS 21 -10.505 1.680 -19.487 187 HE2 LYS 21 2HE LYS 21 -9.304 -0.199 -20.239 188 HE3 LYS 21 3HE LYS 21 -8.083 0.947 -19.689 189 HZ1 LYS 21 3HZ LYS 21 -7.690 -0.289 -17.766 190 HZ2 LYS 21 1HZ LYS 21 -7.826 -1.460 -18.979 191 HZ3 LYS 21 2HZ LYS 21 -9.116 -1.185 -17.921 192 H LYS 22 H LYS 22 -13.418 2.314 -17.019 193 HA LYS 22 HA LYS 22 -13.577 1.669 -19.740 194 HB2 LYS 22 2HB LYS 22 -14.827 0.547 -17.880 195 HB3 LYS 22 3HB LYS 22 -15.894 1.944 -17.819 196 HG2 LYS 22 2HG LYS 22 -15.548 0.623 -20.445 197 HG3 LYS 22 3HG LYS 22 -16.468 -0.243 -19.212 198 HD2 LYS 22 2HD LYS 22 -17.109 2.623 -19.618 199 HD3 LYS 22 3HD LYS 22 -17.593 1.500 -20.891 200 HE2 LYS 22 2HE LYS 22 -18.893 0.213 -19.361 201 HE3 LYS 22 3HE LYS 22 -18.245 1.093 -17.979 202 HZ1 LYS 22 3HZ LYS 22 -19.935 2.285 -20.110 203 HZ2 LYS 22 1HZ LYS 22 -19.368 3.073 -18.724 204 HZ3 LYS 22 2HZ LYS 22 -20.489 1.815 -18.582 205 H GLN 23 H GLN 23 -14.283 4.583 -18.083 206 HA GLN 23 HA GLN 23 -16.213 5.655 -19.863 207 HB2 GLN 23 2HB GLN 23 -14.266 7.083 -18.045 208 HB3 GLN 23 3HB GLN 23 -15.658 7.820 -18.826 209 HG2 GLN 23 2HG GLN 23 -16.777 5.693 -17.521 210 HG3 GLN 23 3HG GLN 23 -15.501 6.194 -16.414 211 HE21 GLN 23 1HE2 GLN 23 -15.783 7.970 -15.207 212 HE22 GLN 23 2HE2 GLN 23 -17.153 9.017 -15.300 213 H GLU 24 H GLU 24 -15.830 7.574 -21.251 214 HA GLU 24 HA GLU 24 -13.826 7.002 -23.180 215 HB2 GLU 24 2HB GLU 24 -15.831 9.207 -22.825 216 HB3 GLU 24 3HB GLU 24 -14.599 9.322 -24.074 217 HG2 GLU 24 2HG GLU 24 -15.382 7.239 -25.058 218 HG3 GLU 24 3HG GLU 24 -16.602 7.093 -23.794 219 H GLN 25 H GLN 25 -11.761 7.212 -22.480 220 HA GLN 25 HA GLN 25 -10.788 9.177 -20.742 221 HB2 GLN 25 2HB GLN 25 -8.537 8.575 -21.752 222 HB3 GLN 25 3HB GLN 25 -9.456 7.249 -21.053 223 HG2 GLN 25 2HG GLN 25 -9.890 6.291 -23.086 224 HG3 GLN 25 3HG GLN 25 -9.740 7.815 -23.959 225 HE21 GLN 25 1HE2 GLN 25 -7.621 8.665 -24.313 226 HE22 GLN 25 2HE2 GLN 25 -6.259 7.605 -24.385 227 HA PRO 26 HA PRO 26 -10.363 12.823 -23.144 228 HB2 PRO 26 2HB PRO 26 -8.063 13.867 -22.149 229 HB3 PRO 26 3HB PRO 26 -9.581 13.850 -21.243 230 HG2 PRO 26 2HG PRO 26 -7.239 11.996 -21.048 231 HG3 PRO 26 3HG PRO 26 -8.205 12.718 -19.749 232 HD2 PRO 26 2HD PRO 26 -8.567 10.169 -20.590 233 HD3 PRO 26 3HD PRO 26 -9.899 11.171 -19.978 Start of MODEL 10 1 H1 VAL 1 H VAL 1 2.141 0.907 -0.031 2 HA VAL 1 HA VAL 1 2.089 1.136 -2.828 3 HB VAL 1 HB VAL 1 4.097 1.592 -1.476 4 HG11 VAL 1 1HG1 VAL 1 3.609 -0.685 -0.169 5 HG12 VAL 1 2HG1 VAL 1 4.803 -1.278 -1.326 6 HG13 VAL 1 3HG1 VAL 1 5.210 0.051 -0.240 7 HG21 VAL 1 3HG2 VAL 1 3.962 0.325 -3.976 8 HG22 VAL 1 1HG2 VAL 1 5.272 1.321 -3.342 9 HG23 VAL 1 2HG2 VAL 1 5.307 -0.428 -3.119 10 H SER 2 H SER 2 1.831 -1.629 -0.714 11 HA SER 2 HA SER 2 2.241 -3.563 -2.809 12 HB2 SER 2 2HB SER 2 2.659 -3.817 -0.239 13 HB3 SER 2 3HB SER 2 0.942 -4.219 -0.184 14 HG SER 2 HG SER 2 3.072 -5.642 -1.250 15 H VAL 3 H VAL 3 -0.386 -1.730 -1.604 16 HA VAL 3 HA VAL 3 -2.450 -3.540 -2.500 17 HB VAL 3 HB VAL 3 -4.016 -1.755 -1.909 18 HG11 VAL 3 1HG1 VAL 3 -3.495 -1.621 0.497 19 HG12 VAL 3 2HG1 VAL 3 -3.279 -3.248 -0.150 20 HG13 VAL 3 3HG1 VAL 3 -1.874 -2.229 0.161 21 HG21 VAL 3 3HG2 VAL 3 -1.535 -0.132 -1.348 22 HG22 VAL 3 1HG2 VAL 3 -2.727 0.171 -2.612 23 HG23 VAL 3 2HG2 VAL 3 -3.178 0.341 -0.916 24 H ASP 4 H ASP 4 -0.570 -0.988 -3.840 25 HA ASP 4 HA ASP 4 -2.285 -0.035 -5.834 26 HB2 ASP 4 2HB ASP 4 0.438 0.289 -5.113 27 HB3 ASP 4 3HB ASP 4 0.402 -0.125 -6.825 28 HA PRO 5 HA PRO 5 -0.383 -3.438 -8.711 29 HB2 PRO 5 2HB PRO 5 0.908 -5.486 -7.483 30 HB3 PRO 5 3HB PRO 5 1.729 -4.012 -8.012 31 HG2 PRO 5 2HG PRO 5 0.762 -4.766 -5.281 32 HG3 PRO 5 3HG PRO 5 2.290 -4.001 -5.755 33 HD2 PRO 5 2HD PRO 5 0.208 -2.594 -4.745 34 HD3 PRO 5 3HD PRO 5 1.333 -1.912 -5.937 35 H PHE 6 H PHE 6 -1.595 -4.361 -5.540 36 HA PHE 6 HA PHE 6 -2.721 -6.836 -6.198 37 HB2 PHE 6 2HB PHE 6 -2.434 -5.787 -3.885 38 HB3 PHE 6 3HB PHE 6 -3.925 -4.911 -4.215 39 HD1 PHE 6 HD2 PHE 6 -2.483 -8.307 -3.904 40 HD2 PHE 6 HD1 PHE 6 -6.010 -5.923 -3.902 41 HE1 PHE 6 HE2 PHE 6 -3.786 -10.241 -3.119 42 HE2 PHE 6 HE1 PHE 6 -7.318 -7.854 -3.116 43 HZ PHE 6 HZ PHE 6 -6.206 -10.016 -2.725 44 H TYR 7 H TYR 7 -4.365 -3.679 -5.953 45 HA TYR 7 HA TYR 7 -6.752 -4.648 -7.180 46 HB2 TYR 7 2HB TYR 7 -7.647 -2.635 -6.627 47 HB3 TYR 7 3HB TYR 7 -6.214 -2.521 -5.610 48 HD1 TYR 7 HD1 TYR 7 -4.283 -1.152 -6.346 49 HD2 TYR 7 HD2 TYR 7 -7.942 -1.204 -8.516 50 HE1 TYR 7 HE1 TYR 7 -3.612 0.905 -7.514 51 HE2 TYR 7 HE2 TYR 7 -7.281 0.853 -9.691 52 HH TYR 7 HH TYR 7 -5.814 2.685 -9.511 53 H GLU 8 H GLU 8 -3.768 -3.454 -8.362 54 HA GLU 8 HA GLU 8 -4.727 -2.480 -10.877 55 HB2 GLU 8 2HB GLU 8 -2.078 -2.948 -9.621 56 HB3 GLU 8 3HB GLU 8 -2.130 -2.941 -11.379 57 HG2 GLU 8 2HG GLU 8 -3.351 -0.722 -9.785 58 HG3 GLU 8 3HG GLU 8 -1.628 -0.746 -10.156 59 H MET 9 H MET 9 -3.307 -5.508 -9.731 60 HA MET 9 HA MET 9 -3.346 -6.707 -12.351 61 HB2 MET 9 2HB MET 9 -2.484 -8.675 -11.282 62 HB3 MET 9 3HB MET 9 -1.653 -7.281 -10.606 63 HG2 MET 9 2HG MET 9 -3.153 -7.366 -8.656 64 HG3 MET 9 3HG MET 9 -3.906 -8.811 -9.328 65 HE1 MET 9 3HE MET 9 -0.821 -7.323 -7.441 66 HE2 MET 9 1HE MET 9 0.424 -8.528 -7.773 67 HE3 MET 9 2HE MET 9 -0.207 -7.529 -9.082 68 H LEU 10 H LEU 10 -5.294 -6.859 -9.414 69 HA LEU 10 HA LEU 10 -7.038 -8.896 -10.468 70 HB2 LEU 10 2HB LEU 10 -6.833 -7.329 -7.959 71 HB3 LEU 10 3HB LEU 10 -8.414 -7.985 -8.378 72 HG LEU 10 HG LEU 10 -6.809 -10.172 -8.677 73 HD11 LEU 10 1HD1 LEU 10 -4.985 -8.640 -7.650 74 HD12 LEU 10 2HD1 LEU 10 -5.169 -10.290 -7.056 75 HD13 LEU 10 3HD1 LEU 10 -5.834 -8.943 -6.133 76 HD21 LEU 10 3HD2 LEU 10 -8.057 -9.385 -6.056 77 HD22 LEU 10 1HD2 LEU 10 -7.874 -11.001 -6.740 78 HD23 LEU 10 2HD2 LEU 10 -9.008 -9.860 -7.465 79 H ALA 11 H ALA 11 -8.894 -8.628 -11.551 80 HA ALA 11 HA ALA 11 -9.609 -5.985 -12.452 81 HB1 ALA 11 1HB ALA 11 -10.200 -8.736 -13.235 82 HB2 ALA 11 2HB ALA 11 -11.574 -7.641 -13.394 83 HB3 ALA 11 3HB ALA 11 -10.058 -7.279 -14.220 84 H ALA 12 H ALA 12 -11.203 -8.550 -10.569 85 HA ALA 12 HA ALA 12 -13.601 -7.190 -10.076 86 HB1 ALA 12 1HB ALA 12 -12.189 -9.331 -8.497 87 HB2 ALA 12 2HB ALA 12 -13.813 -8.750 -8.128 88 HB3 ALA 12 3HB ALA 12 -13.488 -9.536 -9.673 89 H ARG 13 H ARG 13 -10.455 -6.721 -8.793 90 HA ARG 13 HA ARG 13 -11.232 -5.516 -6.320 91 HB2 ARG 13 2HB ARG 13 -8.680 -5.717 -7.874 92 HB3 ARG 13 3HB ARG 13 -8.792 -4.584 -6.534 93 HG2 ARG 13 2HG ARG 13 -9.643 -7.389 -6.064 94 HG3 ARG 13 3HG ARG 13 -7.917 -7.047 -6.204 95 HD2 ARG 13 2HD ARG 13 -8.947 -6.978 -3.868 96 HD3 ARG 13 3HD ARG 13 -7.934 -5.618 -4.352 97 HE ARG 13 HE ARG 13 -10.854 -5.600 -4.089 98 HH11 ARG 13 1HH1 ARG 13 -7.860 -3.911 -4.646 99 HH12 ARG 13 2HH1 ARG 13 -8.556 -2.339 -4.430 100 HH21 ARG 13 1HH2 ARG 13 -11.781 -3.535 -3.803 101 HH22 ARG 13 2HH2 ARG 13 -10.786 -2.127 -3.950 102 H LYS 14 H LYS 14 -10.410 -4.322 -9.537 103 HA LYS 14 HA LYS 14 -10.437 -1.568 -8.861 104 HB2 LYS 14 2HB LYS 14 -10.906 -2.885 -11.542 105 HB3 LYS 14 3HB LYS 14 -10.544 -1.183 -11.286 106 HG2 LYS 14 2HG LYS 14 -8.352 -1.724 -10.452 107 HG3 LYS 14 3HG LYS 14 -8.710 -3.451 -10.537 108 HD2 LYS 14 2HD LYS 14 -7.375 -2.829 -12.444 109 HD3 LYS 14 3HD LYS 14 -9.008 -3.220 -12.988 110 HE2 LYS 14 2HE LYS 14 -9.544 -0.977 -13.364 111 HE3 LYS 14 3HE LYS 14 -8.211 -0.397 -12.366 112 HZ1 LYS 14 3HZ LYS 14 -7.410 -0.045 -14.470 113 HZ2 LYS 14 1HZ LYS 14 -8.159 -1.415 -15.122 114 HZ3 LYS 14 2HZ LYS 14 -6.780 -1.583 -14.157 115 H LYS 15 H LYS 15 -12.243 -0.881 -7.819 116 HA LYS 15 HA LYS 15 -14.882 -1.608 -8.733 117 HB2 LYS 15 2HB LYS 15 -13.810 0.108 -6.515 118 HB3 LYS 15 3HB LYS 15 -15.515 0.170 -6.943 119 HG2 LYS 15 2HG LYS 15 -15.906 -1.997 -6.248 120 HG3 LYS 15 3HG LYS 15 -14.208 -2.458 -6.391 121 HD2 LYS 15 2HD LYS 15 -13.987 -0.554 -4.519 122 HD3 LYS 15 3HD LYS 15 -15.634 -1.095 -4.183 123 HE2 LYS 15 2HE LYS 15 -13.749 -3.285 -4.598 124 HE3 LYS 15 3HE LYS 15 -13.333 -2.254 -3.230 125 HZ1 LYS 15 3HZ LYS 15 -16.038 -3.399 -3.621 126 HZ2 LYS 15 1HZ LYS 15 -15.417 -2.661 -2.231 127 HZ3 LYS 15 2HZ LYS 15 -14.833 -4.172 -2.719 128 H ARG 16 H ARG 16 -13.704 1.653 -7.972 129 HA ARG 16 HA ARG 16 -15.342 2.769 -10.066 130 HB2 ARG 16 2HB ARG 16 -15.208 3.997 -8.010 131 HB3 ARG 16 3HB ARG 16 -13.450 4.006 -8.066 132 HG2 ARG 16 2HG ARG 16 -13.378 5.779 -9.431 133 HG3 ARG 16 3HG ARG 16 -14.745 5.219 -10.397 134 HD2 ARG 16 2HD ARG 16 -16.138 6.575 -9.319 135 HD3 ARG 16 3HD ARG 16 -15.616 5.947 -7.756 136 HE ARG 16 HE ARG 16 -14.814 8.405 -8.980 137 HH11 ARG 16 1HH1 ARG 16 -13.825 5.877 -6.801 138 HH12 ARG 16 2HH1 ARG 16 -12.714 6.882 -5.931 139 HH21 ARG 16 1HH2 ARG 16 -13.355 9.739 -7.842 140 HH22 ARG 16 2HH2 ARG 16 -12.448 9.079 -6.524 141 H ILE 17 H ILE 17 -11.905 2.271 -9.459 142 HA ILE 17 HA ILE 17 -10.850 3.770 -11.558 143 HB ILE 17 HB ILE 17 -8.961 2.027 -11.493 144 HG12 ILE 17 2HG1 ILE 17 -10.851 0.508 -10.203 145 HG13 ILE 17 3HG1 ILE 17 -9.116 0.214 -10.163 146 HG21 ILE 17 1HG2 ILE 17 -9.791 3.603 -9.065 147 HG22 ILE 17 2HG2 ILE 17 -8.203 2.861 -9.258 148 HG23 ILE 17 3HG2 ILE 17 -8.730 4.120 -10.375 149 HD11 ILE 17 3HD1 ILE 17 -10.543 1.933 -8.156 150 HD12 ILE 17 1HD1 ILE 17 -10.269 0.203 -7.944 151 HD13 ILE 17 2HD1 ILE 17 -8.897 1.304 -8.073 152 H SER 18 H SER 18 -12.189 0.516 -11.518 153 HA SER 18 HA SER 18 -11.347 -0.333 -14.047 154 HB2 SER 18 2HB SER 18 -12.255 -2.037 -12.748 155 HB3 SER 18 3HB SER 18 -13.643 -1.064 -12.261 156 HG SER 18 HG SER 18 -14.551 -2.277 -13.759 157 H VAL 19 H VAL 19 -14.584 0.897 -13.179 158 HA VAL 19 HA VAL 19 -15.493 1.208 -15.808 159 HB VAL 19 HB VAL 19 -17.053 1.195 -13.961 160 HG11 VAL 19 1HG1 VAL 19 -15.566 2.345 -12.339 161 HG12 VAL 19 2HG1 VAL 19 -15.925 3.871 -13.149 162 HG13 VAL 19 3HG1 VAL 19 -17.214 2.971 -12.349 163 HG21 VAL 19 3HG2 VAL 19 -18.545 2.679 -14.852 164 HG22 VAL 19 1HG2 VAL 19 -17.358 3.979 -14.957 165 HG23 VAL 19 2HG2 VAL 19 -17.338 2.670 -16.138 166 H LYS 20 H LYS 20 -13.813 3.446 -13.655 167 HA LYS 20 HA LYS 20 -14.031 5.716 -15.342 168 HB2 LYS 20 2HB LYS 20 -13.561 5.999 -12.990 169 HB3 LYS 20 3HB LYS 20 -12.086 5.051 -13.127 170 HG2 LYS 20 2HG LYS 20 -10.927 6.748 -14.160 171 HG3 LYS 20 3HG LYS 20 -12.393 7.527 -14.760 172 HD2 LYS 20 2HD LYS 20 -12.957 8.098 -12.388 173 HD3 LYS 20 3HD LYS 20 -11.365 7.492 -11.925 174 HE2 LYS 20 2HE LYS 20 -11.529 9.512 -14.102 175 HE3 LYS 20 3HE LYS 20 -11.786 10.052 -12.444 176 HZ1 LYS 20 3HZ LYS 20 -9.371 8.835 -13.629 177 HZ2 LYS 20 1HZ LYS 20 -9.625 8.816 -11.956 178 HZ3 LYS 20 2HZ LYS 20 -9.515 10.290 -12.778 179 H LYS 21 H LYS 21 -12.041 2.929 -15.411 180 HA LYS 21 HA LYS 21 -9.894 4.115 -16.922 181 HB2 LYS 21 2HB LYS 21 -9.462 2.203 -15.460 182 HB3 LYS 21 3HB LYS 21 -10.583 1.218 -16.391 183 HG2 LYS 21 2HG LYS 21 -8.648 2.317 -18.167 184 HG3 LYS 21 3HG LYS 21 -7.815 1.581 -16.795 185 HD2 LYS 21 2HD LYS 21 -9.620 -0.335 -17.285 186 HD3 LYS 21 3HD LYS 21 -9.471 0.336 -18.911 187 HE2 LYS 21 2HE LYS 21 -6.975 -0.216 -17.399 188 HE3 LYS 21 3HE LYS 21 -7.879 -1.595 -18.022 189 HZ1 LYS 21 3HZ LYS 21 -6.499 0.537 -19.488 190 HZ2 LYS 21 1HZ LYS 21 -7.859 -0.179 -20.196 191 HZ3 LYS 21 2HZ LYS 21 -6.523 -1.129 -19.781 192 H LYS 22 H LYS 22 -12.642 1.983 -17.620 193 HA LYS 22 HA LYS 22 -12.070 1.846 -20.425 194 HB2 LYS 22 2HB LYS 22 -14.610 1.152 -18.939 195 HB3 LYS 22 3HB LYS 22 -14.229 0.699 -20.595 196 HG2 LYS 22 2HG LYS 22 -12.457 -0.729 -19.870 197 HG3 LYS 22 3HG LYS 22 -12.608 -0.154 -18.208 198 HD2 LYS 22 2HD LYS 22 -14.984 -1.371 -19.537 199 HD3 LYS 22 3HD LYS 22 -13.696 -2.428 -18.955 200 HE2 LYS 22 2HE LYS 22 -13.897 -1.254 -16.734 201 HE3 LYS 22 3HE LYS 22 -15.350 -0.478 -17.363 202 HZ1 LYS 22 3HZ LYS 22 -15.205 -3.380 -17.591 203 HZ2 LYS 22 1HZ LYS 22 -16.530 -2.385 -17.247 204 HZ3 LYS 22 2HZ LYS 22 -15.412 -2.754 -16.033 205 H GLN 23 H GLN 23 -13.693 4.065 -18.380 206 HA GLN 23 HA GLN 23 -15.569 5.147 -20.172 207 HB2 GLN 23 2HB GLN 23 -14.209 6.127 -17.699 208 HB3 GLN 23 3HB GLN 23 -15.114 7.273 -18.678 209 HG2 GLN 23 2HG GLN 23 -16.469 4.739 -17.990 210 HG3 GLN 23 3HG GLN 23 -16.200 5.889 -16.681 211 HE21 GLN 23 1HE2 GLN 23 -18.668 5.622 -16.911 212 HE22 GLN 23 2HE2 GLN 23 -19.452 6.814 -17.884 213 H GLU 24 H GLU 24 -15.462 7.326 -21.155 214 HA GLU 24 HA GLU 24 -13.311 7.514 -22.958 215 HB2 GLU 24 2HB GLU 24 -15.610 9.296 -22.247 216 HB3 GLU 24 3HB GLU 24 -14.340 9.901 -23.300 217 HG2 GLU 24 2HG GLU 24 -16.022 9.082 -24.717 218 HG3 GLU 24 3HG GLU 24 -14.738 7.875 -24.746 219 H GLN 25 H GLN 25 -11.846 9.352 -23.233 220 HA GLN 25 HA GLN 25 -10.465 9.924 -20.788 221 HB2 GLN 25 2HB GLN 25 -9.992 10.409 -23.684 222 HB3 GLN 25 3HB GLN 25 -9.149 11.447 -22.541 223 HG2 GLN 25 2HG GLN 25 -8.231 9.443 -21.442 224 HG3 GLN 25 3HG GLN 25 -9.018 8.444 -22.663 225 HE21 GLN 25 1HE2 GLN 25 -6.135 9.257 -21.856 226 HE22 GLN 25 2HE2 GLN 25 -5.384 9.559 -23.382 227 HA PRO 26 HA PRO 26 -12.039 13.886 -19.758 228 HB2 PRO 26 2HB PRO 26 -9.805 15.228 -18.998 229 HB3 PRO 26 3HB PRO 26 -10.525 13.936 -18.031 230 HG2 PRO 26 2HG PRO 26 -8.190 13.826 -19.900 231 HG3 PRO 26 3HG PRO 26 -8.374 13.093 -18.296 232 HD2 PRO 26 2HD PRO 26 -8.684 11.682 -20.586 233 HD3 PRO 26 3HD PRO 26 -9.599 11.318 -19.109 Start of MODEL 11 1 H1 VAL 1 H VAL 1 2.635 1.039 -0.812 2 HA VAL 1 HA VAL 1 2.724 1.109 -3.615 3 HB VAL 1 HB VAL 1 4.722 -0.233 -1.791 4 HG11 VAL 1 1HG1 VAL 1 6.072 0.952 -3.873 5 HG12 VAL 1 2HG1 VAL 1 5.681 -0.763 -3.738 6 HG13 VAL 1 3HG1 VAL 1 4.623 0.315 -4.649 7 HG21 VAL 1 3HG2 VAL 1 4.622 1.892 -0.894 8 HG22 VAL 1 1HG2 VAL 1 5.869 2.084 -2.127 9 HG23 VAL 1 2HG2 VAL 1 4.225 2.641 -2.441 10 H SER 2 H SER 2 2.416 -1.570 -1.351 11 HA SER 2 HA SER 2 2.654 -3.579 -3.401 12 HB2 SER 2 2HB SER 2 1.578 -3.987 -0.610 13 HB3 SER 2 3HB SER 2 2.346 -5.175 -1.663 14 HG SER 2 HG SER 2 3.608 -4.062 0.133 15 H VAL 3 H VAL 3 0.149 -1.640 -2.106 16 HA VAL 3 HA VAL 3 -2.008 -3.422 -2.821 17 HB VAL 3 HB VAL 3 -3.479 -1.511 -2.248 18 HG11 VAL 3 1HG1 VAL 3 -3.325 -1.919 -0.022 19 HG12 VAL 3 2HG1 VAL 3 -2.209 -3.166 -0.581 20 HG13 VAL 3 3HG1 VAL 3 -1.587 -1.630 0.024 21 HG21 VAL 3 3HG2 VAL 3 -0.974 -0.054 -1.437 22 HG22 VAL 3 1HG2 VAL 3 -1.791 0.222 -2.976 23 HG23 VAL 3 2HG2 VAL 3 -2.629 0.554 -1.460 24 H ASP 4 H ASP 4 -0.151 -0.957 -4.347 25 HA ASP 4 HA ASP 4 -1.956 -0.022 -6.268 26 HB2 ASP 4 2HB ASP 4 0.816 0.245 -5.721 27 HB3 ASP 4 3HB ASP 4 0.659 -0.206 -7.416 28 HA PRO 5 HA PRO 5 -0.310 -3.561 -9.138 29 HB2 PRO 5 2HB PRO 5 0.992 -5.608 -7.918 30 HB3 PRO 5 3HB PRO 5 1.821 -4.175 -8.538 31 HG2 PRO 5 2HG PRO 5 0.988 -4.817 -5.736 32 HG3 PRO 5 3HG PRO 5 2.507 -4.112 -6.317 33 HD2 PRO 5 2HD PRO 5 0.525 -2.615 -5.239 34 HD3 PRO 5 3HD PRO 5 1.599 -2.002 -6.512 35 H PHE 6 H PHE 6 -1.363 -4.357 -5.876 36 HA PHE 6 HA PHE 6 -2.589 -6.817 -6.386 37 HB2 PHE 6 2HB PHE 6 -2.158 -5.671 -4.132 38 HB3 PHE 6 3HB PHE 6 -3.660 -4.799 -4.420 39 HD1 PHE 6 HD2 PHE 6 -2.219 -8.188 -4.041 40 HD2 PHE 6 HD1 PHE 6 -5.732 -5.786 -3.965 41 HE1 PHE 6 HE2 PHE 6 -3.488 -10.080 -3.112 42 HE2 PHE 6 HE1 PHE 6 -7.007 -7.674 -3.035 43 HZ PHE 6 HZ PHE 6 -5.885 -9.825 -2.609 44 H TYR 7 H TYR 7 -4.185 -3.636 -6.111 45 HA TYR 7 HA TYR 7 -6.639 -4.574 -7.194 46 HB2 TYR 7 2HB TYR 7 -7.450 -2.511 -6.688 47 HB3 TYR 7 3HB TYR 7 -5.969 -2.406 -5.743 48 HD1 TYR 7 HD2 TYR 7 -4.035 -1.126 -6.614 49 HD2 TYR 7 HD1 TYR 7 -7.786 -1.147 -8.622 50 HE1 TYR 7 HE2 TYR 7 -3.358 0.865 -7.889 51 HE2 TYR 7 HE1 TYR 7 -7.118 0.843 -9.904 52 HH TYR 7 HH TYR 7 -3.875 2.226 -9.590 53 H GLU 8 H GLU 8 -3.697 -3.522 -8.589 54 HA GLU 8 HA GLU 8 -4.758 -2.608 -11.082 55 HB2 GLU 8 2HB GLU 8 -2.076 -3.110 -9.939 56 HB3 GLU 8 3HB GLU 8 -2.201 -3.246 -11.687 57 HG2 GLU 8 2HG GLU 8 -3.131 -0.986 -11.794 58 HG3 GLU 8 3HG GLU 8 -2.985 -0.850 -10.042 59 H MET 9 H MET 9 -3.366 -5.649 -9.924 60 HA MET 9 HA MET 9 -3.648 -6.934 -12.487 61 HB2 MET 9 2HB MET 9 -2.793 -8.908 -11.395 62 HB3 MET 9 3HB MET 9 -1.839 -7.521 -10.886 63 HG2 MET 9 2HG MET 9 -3.143 -7.424 -8.801 64 HG3 MET 9 3HG MET 9 -4.020 -8.865 -9.309 65 HE1 MET 9 3HE MET 9 -3.113 -10.752 -7.234 66 HE2 MET 9 1HE MET 9 -3.546 -10.955 -8.932 67 HE3 MET 9 2HE MET 9 -2.083 -11.709 -8.300 68 H LEU 10 H LEU 10 -5.365 -6.920 -9.404 69 HA LEU 10 HA LEU 10 -7.219 -8.965 -10.160 70 HB2 LEU 10 2HB LEU 10 -6.762 -7.211 -7.853 71 HB3 LEU 10 3HB LEU 10 -8.452 -7.621 -8.139 72 HG LEU 10 HG LEU 10 -7.519 -9.149 -6.534 73 HD11 LEU 10 1HD1 LEU 10 -8.410 -11.040 -7.417 74 HD12 LEU 10 2HD1 LEU 10 -7.543 -10.872 -8.943 75 HD13 LEU 10 3HD1 LEU 10 -8.976 -9.892 -8.631 76 HD21 LEU 10 3HD2 LEU 10 -5.147 -8.831 -7.336 77 HD22 LEU 10 1HD2 LEU 10 -5.508 -10.005 -8.601 78 HD23 LEU 10 2HD2 LEU 10 -5.599 -10.481 -6.905 79 H ALA 11 H ALA 11 -9.067 -8.788 -11.258 80 HA ALA 11 HA ALA 11 -9.802 -6.238 -12.386 81 HB1 ALA 11 1HB ALA 11 -9.896 -8.186 -13.798 82 HB2 ALA 11 2HB ALA 11 -11.020 -8.979 -12.693 83 HB3 ALA 11 3HB ALA 11 -11.526 -7.546 -13.588 84 H ALA 12 H ALA 12 -11.162 -8.520 -10.056 85 HA ALA 12 HA ALA 12 -13.615 -7.114 -9.701 86 HB1 ALA 12 1HB ALA 12 -13.939 -9.227 -8.980 87 HB2 ALA 12 2HB ALA 12 -12.269 -9.419 -8.448 88 HB3 ALA 12 3HB ALA 12 -13.422 -8.549 -7.436 89 H ARG 13 H ARG 13 -10.426 -6.676 -8.516 90 HA ARG 13 HA ARG 13 -11.066 -5.345 -6.082 91 HB2 ARG 13 2HB ARG 13 -8.621 -5.686 -7.754 92 HB3 ARG 13 3HB ARG 13 -8.635 -4.390 -6.567 93 HG2 ARG 13 2HG ARG 13 -9.460 -7.103 -5.687 94 HG3 ARG 13 3HG ARG 13 -7.747 -6.798 -5.981 95 HD2 ARG 13 2HD ARG 13 -8.437 -6.425 -3.626 96 HD3 ARG 13 3HD ARG 13 -7.736 -5.000 -4.392 97 HE ARG 13 HE ARG 13 -10.557 -5.392 -3.705 98 HH11 ARG 13 1HH1 ARG 13 -8.000 -3.359 -4.907 99 HH12 ARG 13 2HH1 ARG 13 -8.922 -1.898 -4.773 100 HH21 ARG 13 1HH2 ARG 13 -11.781 -3.476 -3.525 101 HH22 ARG 13 2HH2 ARG 13 -11.072 -1.966 -3.986 102 H LYS 14 H LYS 14 -10.241 -4.216 -9.345 103 HA LYS 14 HA LYS 14 -10.281 -1.468 -8.806 104 HB2 LYS 14 2HB LYS 14 -11.015 -2.869 -11.384 105 HB3 LYS 14 3HB LYS 14 -10.572 -1.174 -11.221 106 HG2 LYS 14 2HG LYS 14 -8.336 -1.762 -10.577 107 HG3 LYS 14 3HG LYS 14 -8.756 -3.476 -10.538 108 HD2 LYS 14 2HD LYS 14 -8.693 -3.681 -12.798 109 HD3 LYS 14 3HD LYS 14 -9.284 -2.040 -13.070 110 HE2 LYS 14 2HE LYS 14 -6.524 -2.613 -12.025 111 HE3 LYS 14 3HE LYS 14 -6.882 -2.529 -13.749 112 HZ1 LYS 14 3HZ LYS 14 -6.163 -0.428 -12.269 113 HZ2 LYS 14 1HZ LYS 14 -7.847 -0.297 -12.174 114 HZ3 LYS 14 2HZ LYS 14 -7.083 -0.309 -13.683 115 H LYS 15 H LYS 15 -11.983 -0.728 -7.627 116 HA LYS 15 HA LYS 15 -14.701 -1.430 -8.296 117 HB2 LYS 15 2HB LYS 15 -13.553 0.527 -6.299 118 HB3 LYS 15 3HB LYS 15 -15.271 0.193 -6.476 119 HG2 LYS 15 2HG LYS 15 -13.164 -1.822 -5.721 120 HG3 LYS 15 3HG LYS 15 -14.288 -1.036 -4.610 121 HD2 LYS 15 2HD LYS 15 -15.044 -2.829 -6.918 122 HD3 LYS 15 3HD LYS 15 -15.051 -3.281 -5.211 123 HE2 LYS 15 2HE LYS 15 -16.618 -1.192 -4.987 124 HE3 LYS 15 3HE LYS 15 -16.884 -1.463 -6.708 125 HZ1 LYS 15 3HZ LYS 15 -17.402 -3.374 -4.499 126 HZ2 LYS 15 1HZ LYS 15 -17.485 -3.785 -6.138 127 HZ3 LYS 15 2HZ LYS 15 -18.547 -2.634 -5.500 128 H ARG 16 H ARG 16 -13.411 1.828 -7.735 129 HA ARG 16 HA ARG 16 -15.201 2.914 -9.717 130 HB2 ARG 16 2HB ARG 16 -13.138 4.162 -7.903 131 HB3 ARG 16 3HB ARG 16 -14.073 5.091 -9.067 132 HG2 ARG 16 2HG ARG 16 -15.207 3.469 -6.797 133 HG3 ARG 16 3HG ARG 16 -15.026 5.224 -6.828 134 HD2 ARG 16 2HD ARG 16 -16.820 3.509 -8.529 135 HD3 ARG 16 3HD ARG 16 -17.285 4.761 -7.378 136 HE ARG 16 HE ARG 16 -16.581 5.133 -10.108 137 HH11 ARG 16 1HH1 ARG 16 -16.395 6.613 -6.962 138 HH12 ARG 16 2HH1 ARG 16 -16.327 8.229 -7.583 139 HH21 ARG 16 1HH2 ARG 16 -16.492 7.256 -10.937 140 HH22 ARG 16 2HH2 ARG 16 -16.384 8.594 -9.844 141 H ILE 17 H ILE 17 -11.735 2.366 -9.387 142 HA ILE 17 HA ILE 17 -10.836 3.784 -11.611 143 HB ILE 17 HB ILE 17 -8.979 2.005 -11.654 144 HG12 ILE 17 2HG1 ILE 17 -10.777 0.562 -10.165 145 HG13 ILE 17 3HG1 ILE 17 -9.050 0.237 -10.257 146 HG21 ILE 17 1HG2 ILE 17 -9.571 3.670 -9.216 147 HG22 ILE 17 2HG2 ILE 17 -8.020 2.889 -9.517 148 HG23 ILE 17 3HG2 ILE 17 -8.614 4.124 -10.625 149 HD11 ILE 17 3HD1 ILE 17 -10.276 2.044 -8.196 150 HD12 ILE 17 1HD1 ILE 17 -10.022 0.317 -7.952 151 HD13 ILE 17 2HD1 ILE 17 -8.643 1.381 -8.226 152 H SER 18 H SER 18 -12.221 0.559 -11.362 153 HA SER 18 HA SER 18 -11.612 -0.377 -13.927 154 HB2 SER 18 2HB SER 18 -12.436 -2.027 -12.508 155 HB3 SER 18 3HB SER 18 -13.759 -1.013 -11.931 156 HG SER 18 HG SER 18 -14.884 -2.096 -13.338 157 H VAL 19 H VAL 19 -14.755 0.914 -12.834 158 HA VAL 19 HA VAL 19 -15.861 1.183 -15.391 159 HB VAL 19 HB VAL 19 -17.274 1.219 -13.429 160 HG11 VAL 19 1HG1 VAL 19 -16.061 3.898 -12.763 161 HG12 VAL 19 2HG1 VAL 19 -17.299 3.034 -11.848 162 HG13 VAL 19 3HG1 VAL 19 -15.661 2.386 -11.948 163 HG21 VAL 19 3HG2 VAL 19 -17.600 2.794 -15.616 164 HG22 VAL 19 1HG2 VAL 19 -18.816 2.566 -14.359 165 HG23 VAL 19 2HG2 VAL 19 -17.758 3.977 -14.318 166 H LYS 20 H LYS 20 -14.003 3.445 -13.418 167 HA LYS 20 HA LYS 20 -14.346 5.728 -15.017 168 HB2 LYS 20 2HB LYS 20 -13.445 5.825 -12.741 169 HB3 LYS 20 3HB LYS 20 -12.007 4.955 -13.262 170 HG2 LYS 20 2HG LYS 20 -11.520 7.305 -13.066 171 HG3 LYS 20 3HG LYS 20 -11.447 6.822 -14.762 172 HD2 LYS 20 2HD LYS 20 -13.697 7.717 -15.113 173 HD3 LYS 20 3HD LYS 20 -13.775 8.193 -13.415 174 HE2 LYS 20 2HE LYS 20 -11.896 9.246 -15.524 175 HE3 LYS 20 3HE LYS 20 -13.208 10.119 -14.735 176 HZ1 LYS 20 3HZ LYS 20 -10.671 9.189 -13.515 177 HZ2 LYS 20 1HZ LYS 20 -11.980 9.756 -12.605 178 HZ3 LYS 20 2HZ LYS 20 -11.205 10.783 -13.702 179 H LYS 21 H LYS 21 -11.983 3.108 -15.144 180 HA LYS 21 HA LYS 21 -10.322 4.233 -17.128 181 HB2 LYS 21 2HB LYS 21 -10.785 1.456 -16.101 182 HB3 LYS 21 3HB LYS 21 -9.794 1.701 -17.533 183 HG2 LYS 21 2HG LYS 21 -9.266 3.139 -14.952 184 HG3 LYS 21 3HG LYS 21 -8.586 1.551 -15.315 185 HD2 LYS 21 2HD LYS 21 -7.416 2.411 -17.215 186 HD3 LYS 21 3HD LYS 21 -8.248 3.963 -17.092 187 HE2 LYS 21 2HE LYS 21 -6.015 4.184 -16.213 188 HE3 LYS 21 3HE LYS 21 -7.176 4.318 -14.893 189 HZ1 LYS 21 3HZ LYS 21 -5.261 2.178 -15.475 190 HZ2 LYS 21 1HZ LYS 21 -6.717 1.763 -14.719 191 HZ3 LYS 21 2HZ LYS 21 -5.676 2.880 -13.992 192 H LYS 22 H LYS 22 -13.160 2.135 -17.302 193 HA LYS 22 HA LYS 22 -13.076 1.603 -20.056 194 HB2 LYS 22 2HB LYS 22 -15.357 1.701 -18.086 195 HB3 LYS 22 3HB LYS 22 -15.584 1.239 -19.768 196 HG2 LYS 22 2HG LYS 22 -14.123 -0.650 -19.502 197 HG3 LYS 22 3HG LYS 22 -13.712 -0.147 -17.860 198 HD2 LYS 22 2HD LYS 22 -16.195 -0.349 -17.344 199 HD3 LYS 22 3HD LYS 22 -16.342 -1.182 -18.893 200 HE2 LYS 22 2HE LYS 22 -14.607 -2.011 -16.569 201 HE3 LYS 22 3HE LYS 22 -16.107 -2.783 -17.080 202 HZ1 LYS 22 3HZ LYS 22 -14.751 -4.106 -18.242 203 HZ2 LYS 22 1HZ LYS 22 -13.446 -3.032 -18.165 204 HZ3 LYS 22 2HZ LYS 22 -14.646 -2.822 -19.338 205 H GLN 23 H GLN 23 -13.870 4.456 -18.335 206 HA GLN 23 HA GLN 23 -15.509 5.624 -20.390 207 HB2 GLN 23 2HB GLN 23 -14.153 6.906 -18.011 208 HB3 GLN 23 3HB GLN 23 -15.362 7.671 -19.033 209 HG2 GLN 23 2HG GLN 23 -16.116 5.097 -17.804 210 HG3 GLN 23 3HG GLN 23 -15.935 6.472 -16.717 211 HE21 GLN 23 1HE2 GLN 23 -18.244 6.104 -16.380 212 HE22 GLN 23 2HE2 GLN 23 -19.369 6.832 -17.471 213 H GLU 24 H GLU 24 -14.896 7.731 -21.398 214 HA GLU 24 HA GLU 24 -12.397 7.433 -22.762 215 HB2 GLU 24 2HB GLU 24 -14.486 9.614 -22.852 216 HB3 GLU 24 3HB GLU 24 -13.073 9.561 -23.897 217 HG2 GLU 24 2HG GLU 24 -14.747 8.663 -25.214 218 HG3 GLU 24 3HG GLU 24 -13.921 7.239 -24.585 219 H GLN 25 H GLN 25 -10.650 7.763 -21.478 220 HA GLN 25 HA GLN 25 -10.421 9.671 -19.445 221 HB2 GLN 25 2HB GLN 25 -7.924 9.342 -19.790 222 HB3 GLN 25 3HB GLN 25 -8.862 7.896 -19.442 223 HG2 GLN 25 2HG GLN 25 -8.617 7.057 -21.563 224 HG3 GLN 25 3HG GLN 25 -8.354 8.647 -22.277 225 HE21 GLN 25 1HE2 GLN 25 -6.419 8.583 -23.183 226 HE22 GLN 25 2HE2 GLN 25 -4.964 8.047 -22.421 227 HA PRO 26 HA PRO 26 -9.710 13.508 -21.450 228 HB2 PRO 26 2HB PRO 26 -7.908 14.668 -19.784 229 HB3 PRO 26 3HB PRO 26 -9.610 14.454 -19.359 230 HG2 PRO 26 2HG PRO 26 -7.241 12.798 -18.580 231 HG3 PRO 26 3HG PRO 26 -8.605 13.337 -17.584 232 HD2 PRO 26 2HD PRO 26 -8.448 10.836 -18.610 233 HD3 PRO 26 3HD PRO 26 -9.995 11.672 -18.365 Start of MODEL 12 1 H1 VAL 1 H VAL 1 1.820 -0.144 1.068 2 HA VAL 1 HA VAL 1 1.897 0.711 -1.641 3 HB VAL 1 HB VAL 1 3.812 0.974 -0.109 4 HG11 VAL 1 1HG1 VAL 1 4.741 -1.789 -0.454 5 HG12 VAL 1 2HG1 VAL 1 4.846 -0.720 0.947 6 HG13 VAL 1 3HG1 VAL 1 3.353 -1.601 0.618 7 HG21 VAL 1 3HG2 VAL 1 3.861 0.132 -2.811 8 HG22 VAL 1 1HG2 VAL 1 5.028 1.144 -1.958 9 HG23 VAL 1 2HG2 VAL 1 5.242 -0.606 -1.999 10 H SER 2 H SER 2 1.669 -2.404 -0.077 11 HA SER 2 HA SER 2 2.255 -3.903 -2.466 12 HB2 SER 2 2HB SER 2 1.910 -5.850 -1.150 13 HB3 SER 2 3HB SER 2 2.677 -4.684 -0.072 14 HG SER 2 HG SER 2 0.145 -5.768 0.007 15 H VAL 3 H VAL 3 -0.501 -2.421 -1.081 16 HA VAL 3 HA VAL 3 -2.439 -4.112 -2.395 17 HB VAL 3 HB VAL 3 -2.849 -1.439 -1.047 18 HG11 VAL 3 1HG1 VAL 3 -5.203 -2.218 -0.870 19 HG12 VAL 3 2HG1 VAL 3 -4.671 -1.941 -2.529 20 HG13 VAL 3 3HG1 VAL 3 -4.785 -3.585 -1.902 21 HG21 VAL 3 3HG2 VAL 3 -2.342 -2.568 0.820 22 HG22 VAL 3 1HG2 VAL 3 -3.906 -3.354 0.602 23 HG23 VAL 3 2HG2 VAL 3 -2.438 -4.131 0.010 24 H ASP 4 H ASP 4 -0.626 -1.286 -3.147 25 HA ASP 4 HA ASP 4 -2.297 -0.044 -5.015 26 HB2 ASP 4 2HB ASP 4 0.387 0.228 -4.122 27 HB3 ASP 4 3HB ASP 4 0.420 0.165 -5.882 28 HA PRO 5 HA PRO 5 -0.123 -2.783 -8.369 29 HB2 PRO 5 2HB PRO 5 1.203 -4.976 -7.474 30 HB3 PRO 5 3HB PRO 5 1.980 -3.402 -7.680 31 HG2 PRO 5 2HG PRO 5 0.929 -4.683 -5.187 32 HG3 PRO 5 3HG PRO 5 2.441 -3.790 -5.434 33 HD2 PRO 5 2HD PRO 5 0.258 -2.670 -4.290 34 HD3 PRO 5 3HD PRO 5 1.402 -1.739 -5.278 35 H PHE 6 H PHE 6 -1.511 -4.238 -5.501 36 HA PHE 6 HA PHE 6 -2.473 -6.616 -6.652 37 HB2 PHE 6 2HB PHE 6 -2.339 -5.955 -4.167 38 HB3 PHE 6 3HB PHE 6 -3.882 -5.151 -4.432 39 HD1 PHE 6 HD1 PHE 6 -2.162 -8.413 -4.490 40 HD2 PHE 6 HD2 PHE 6 -5.897 -6.373 -4.552 41 HE1 PHE 6 HE1 PHE 6 -3.330 -10.548 -4.126 42 HE2 PHE 6 HE2 PHE 6 -7.071 -8.505 -4.187 43 HZ PHE 6 HZ PHE 6 -5.788 -10.595 -3.973 44 H TYR 7 H TYR 7 -4.226 -3.589 -5.950 45 HA TYR 7 HA TYR 7 -6.514 -4.397 -7.467 46 HB2 TYR 7 2HB TYR 7 -7.533 -2.553 -6.605 47 HB3 TYR 7 3HB TYR 7 -6.186 -2.624 -5.474 48 HD1 TYR 7 HD1 TYR 7 -4.213 -1.126 -5.825 49 HD2 TYR 7 HD2 TYR 7 -7.786 -0.729 -8.100 50 HE1 TYR 7 HE1 TYR 7 -3.535 1.145 -6.482 51 HE2 TYR 7 HE2 TYR 7 -7.117 1.542 -8.765 52 HH TYR 7 HH TYR 7 -4.818 3.299 -7.250 53 H GLU 8 H GLU 8 -3.514 -3.015 -8.251 54 HA GLU 8 HA GLU 8 -4.386 -1.548 -10.566 55 HB2 GLU 8 2HB GLU 8 -1.789 -2.169 -9.269 56 HB3 GLU 8 3HB GLU 8 -1.750 -1.814 -10.990 57 HG2 GLU 8 2HG GLU 8 -2.667 0.343 -10.658 58 HG3 GLU 8 3HG GLU 8 -3.064 -0.013 -8.978 59 H MET 9 H MET 9 -2.892 -4.691 -9.941 60 HA MET 9 HA MET 9 -2.750 -5.358 -12.742 61 HB2 MET 9 2HB MET 9 -1.842 -7.461 -12.026 62 HB3 MET 9 3HB MET 9 -1.112 -6.194 -11.050 63 HG2 MET 9 2HG MET 9 -3.102 -6.796 -9.422 64 HG3 MET 9 3HG MET 9 -3.011 -8.335 -10.275 65 HE1 MET 9 3HE MET 9 0.547 -8.752 -10.514 66 HE2 MET 9 1HE MET 9 0.036 -10.004 -9.382 67 HE3 MET 9 2HE MET 9 -1.017 -9.542 -10.719 68 H LEU 10 H LEU 10 -4.829 -6.132 -10.001 69 HA LEU 10 HA LEU 10 -6.400 -8.043 -11.452 70 HB2 LEU 10 2HB LEU 10 -6.435 -6.823 -8.760 71 HB3 LEU 10 3HB LEU 10 -7.978 -7.409 -9.378 72 HG LEU 10 HG LEU 10 -6.967 -9.102 -7.999 73 HD11 LEU 10 1HD1 LEU 10 -8.035 -9.564 -10.383 74 HD12 LEU 10 2HD1 LEU 10 -7.386 -10.860 -9.378 75 HD13 LEU 10 3HD1 LEU 10 -6.421 -10.202 -10.699 76 HD21 LEU 10 3HD2 LEU 10 -4.803 -9.795 -8.096 77 HD22 LEU 10 1HD2 LEU 10 -4.585 -8.142 -8.672 78 HD23 LEU 10 2HD2 LEU 10 -4.658 -9.475 -9.825 79 H ALA 11 H ALA 11 -8.126 -7.699 -12.701 80 HA ALA 11 HA ALA 11 -8.933 -4.993 -13.279 81 HB1 ALA 11 1HB ALA 11 -8.749 -7.177 -14.822 82 HB2 ALA 11 2HB ALA 11 -10.466 -7.243 -14.423 83 HB3 ALA 11 3HB ALA 11 -9.796 -5.809 -15.202 84 H ALA 12 H ALA 12 -10.354 -7.836 -11.739 85 HA ALA 12 HA ALA 12 -12.934 -6.678 -11.372 86 HB1 ALA 12 1HB ALA 12 -13.432 -8.600 -10.036 87 HB2 ALA 12 2HB ALA 12 -12.477 -9.127 -11.422 88 HB3 ALA 12 3HB ALA 12 -11.719 -8.969 -9.838 89 H ARG 13 H ARG 13 -9.937 -6.405 -9.724 90 HA ARG 13 HA ARG 13 -10.927 -5.763 -7.139 91 HB2 ARG 13 2HB ARG 13 -8.312 -5.536 -8.546 92 HB3 ARG 13 3HB ARG 13 -8.550 -4.565 -7.099 93 HG2 ARG 13 2HG ARG 13 -9.217 -7.459 -6.985 94 HG3 ARG 13 3HG ARG 13 -7.519 -6.978 -6.981 95 HD2 ARG 13 2HD ARG 13 -8.517 -7.242 -4.710 96 HD3 ARG 13 3HD ARG 13 -7.828 -5.648 -5.020 97 HE ARG 13 HE ARG 13 -10.679 -6.302 -4.827 98 HH11 ARG 13 1HH1 ARG 13 -8.139 -3.943 -5.156 99 HH12 ARG 13 2HH1 ARG 13 -9.168 -2.595 -4.803 100 HH21 ARG 13 1HH2 ARG 13 -12.043 -4.535 -4.360 101 HH22 ARG 13 2HH2 ARG 13 -11.388 -2.932 -4.349 102 H LYS 14 H LYS 14 -9.905 -3.800 -9.912 103 HA LYS 14 HA LYS 14 -10.220 -1.283 -8.729 104 HB2 LYS 14 2HB LYS 14 -10.559 -2.088 -11.624 105 HB3 LYS 14 3HB LYS 14 -10.397 -0.433 -11.051 106 HG2 LYS 14 2HG LYS 14 -8.163 -0.876 -10.264 107 HG3 LYS 14 3HG LYS 14 -8.320 -2.582 -10.687 108 HD2 LYS 14 2HD LYS 14 -8.075 -2.191 -12.922 109 HD3 LYS 14 3HD LYS 14 -8.800 -0.584 -12.831 110 HE2 LYS 14 2HE LYS 14 -6.182 -1.048 -11.490 111 HE3 LYS 14 3HE LYS 14 -6.214 -0.912 -13.247 112 HZ1 LYS 14 3HZ LYS 14 -7.768 1.142 -12.074 113 HZ2 LYS 14 1HZ LYS 14 -6.417 1.274 -13.084 114 HZ3 LYS 14 2HZ LYS 14 -6.212 1.151 -11.410 115 H LYS 15 H LYS 15 -12.054 -0.853 -7.629 116 HA LYS 15 HA LYS 15 -14.648 -1.588 -8.659 117 HB2 LYS 15 2HB LYS 15 -13.705 -0.132 -6.199 118 HB3 LYS 15 3HB LYS 15 -15.412 -0.221 -6.614 119 HG2 LYS 15 2HG LYS 15 -15.520 -2.498 -6.243 120 HG3 LYS 15 3HG LYS 15 -13.782 -2.719 -6.453 121 HD2 LYS 15 2HD LYS 15 -14.394 -2.960 -4.112 122 HD3 LYS 15 3HD LYS 15 -13.388 -1.528 -4.341 123 HE2 LYS 15 2HE LYS 15 -15.239 -0.077 -4.135 124 HE3 LYS 15 3HE LYS 15 -16.392 -1.400 -4.303 125 HZ1 LYS 15 3HZ LYS 15 -16.211 -1.942 -2.146 126 HZ2 LYS 15 1HZ LYS 15 -15.647 -0.357 -1.963 127 HZ3 LYS 15 2HZ LYS 15 -14.548 -1.637 -2.081 128 H ARG 16 H ARG 16 -13.702 1.575 -7.363 129 HA ARG 16 HA ARG 16 -15.402 2.903 -9.274 130 HB2 ARG 16 2HB ARG 16 -13.580 3.987 -7.120 131 HB3 ARG 16 3HB ARG 16 -14.655 4.972 -8.103 132 HG2 ARG 16 2HG ARG 16 -15.578 2.733 -6.316 133 HG3 ARG 16 3HG ARG 16 -15.537 4.434 -5.847 134 HD2 ARG 16 2HD ARG 16 -17.015 4.925 -7.801 135 HD3 ARG 16 3HD ARG 16 -17.156 3.187 -8.062 136 HE ARG 16 HE ARG 16 -18.658 3.104 -6.347 137 HH11 ARG 16 1HH1 ARG 16 -16.820 6.049 -6.080 138 HH12 ARG 16 2HH1 ARG 16 -17.766 6.674 -4.770 139 HH21 ARG 16 1HH2 ARG 16 -19.911 3.917 -4.622 140 HH22 ARG 16 2HH2 ARG 16 -19.523 5.460 -3.941 141 H ILE 17 H ILE 17 -11.943 2.553 -8.696 142 HA ILE 17 HA ILE 17 -10.985 4.448 -10.501 143 HB ILE 17 HB ILE 17 -8.975 2.859 -10.688 144 HG12 ILE 17 2HG1 ILE 17 -10.754 1.011 -9.715 145 HG13 ILE 17 3HG1 ILE 17 -9.003 0.842 -9.680 146 HG21 ILE 17 1HG2 ILE 17 -8.298 3.354 -8.328 147 HG22 ILE 17 2HG2 ILE 17 -8.903 4.742 -9.231 148 HG23 ILE 17 3HG2 ILE 17 -9.937 3.941 -8.049 149 HD11 ILE 17 3HD1 ILE 17 -8.893 1.576 -7.433 150 HD12 ILE 17 1HD1 ILE 17 -10.579 2.090 -7.450 151 HD13 ILE 17 2HD1 ILE 17 -10.179 0.373 -7.523 152 H SER 18 H SER 18 -12.096 1.151 -11.021 153 HA SER 18 HA SER 18 -11.176 0.784 -13.636 154 HB2 SER 18 2HB SER 18 -11.984 -1.169 -12.675 155 HB3 SER 18 3HB SER 18 -13.421 -0.378 -12.027 156 HG SER 18 HG SER 18 -14.182 -1.487 -13.725 157 H VAL 19 H VAL 19 -14.499 1.641 -12.653 158 HA VAL 19 HA VAL 19 -15.393 2.326 -15.215 159 HB VAL 19 HB VAL 19 -16.972 1.905 -13.434 160 HG11 VAL 19 1HG1 VAL 19 -15.588 2.862 -11.609 161 HG12 VAL 19 2HG1 VAL 19 -16.039 4.475 -12.164 162 HG13 VAL 19 3HG1 VAL 19 -17.275 3.373 -11.555 163 HG21 VAL 19 3HG2 VAL 19 -18.526 3.675 -13.845 164 HG22 VAL 19 1HG2 VAL 19 -17.224 4.795 -14.249 165 HG23 VAL 19 2HG2 VAL 19 -17.583 3.436 -15.315 166 H LYS 20 H LYS 20 -13.897 4.279 -12.683 167 HA LYS 20 HA LYS 20 -14.276 6.802 -13.842 168 HB2 LYS 20 2HB LYS 20 -13.487 6.318 -11.497 169 HB3 LYS 20 3HB LYS 20 -11.904 5.958 -12.175 170 HG2 LYS 20 2HG LYS 20 -13.148 8.571 -12.840 171 HG3 LYS 20 3HG LYS 20 -12.495 8.339 -11.216 172 HD2 LYS 20 2HD LYS 20 -10.407 7.434 -12.494 173 HD3 LYS 20 3HD LYS 20 -11.082 8.339 -13.851 174 HE2 LYS 20 2HE LYS 20 -10.759 9.640 -11.176 175 HE3 LYS 20 3HE LYS 20 -9.378 9.486 -12.259 176 HZ1 LYS 20 3HZ LYS 20 -10.473 11.602 -12.569 177 HZ2 LYS 20 1HZ LYS 20 -11.946 10.836 -12.893 178 HZ3 LYS 20 2HZ LYS 20 -10.649 10.659 -13.963 179 H LYS 21 H LYS 21 -11.722 4.402 -14.269 180 HA LYS 21 HA LYS 21 -10.082 6.036 -15.925 181 HB2 LYS 21 2HB LYS 21 -9.244 4.071 -14.663 182 HB3 LYS 21 3HB LYS 21 -10.170 3.020 -15.727 183 HG2 LYS 21 2HG LYS 21 -8.294 4.908 -17.016 184 HG3 LYS 21 3HG LYS 21 -7.593 3.565 -16.111 185 HD2 LYS 21 2HD LYS 21 -8.398 1.993 -17.556 186 HD3 LYS 21 3HD LYS 21 -9.820 2.951 -17.975 187 HE2 LYS 21 2HE LYS 21 -8.590 3.059 -19.923 188 HE3 LYS 21 3HE LYS 21 -8.084 4.533 -19.099 189 HZ1 LYS 21 3HZ LYS 21 -6.551 2.194 -19.778 190 HZ2 LYS 21 1HZ LYS 21 -6.323 2.707 -18.182 191 HZ3 LYS 21 2HZ LYS 21 -6.033 3.773 -19.462 192 H LYS 22 H LYS 22 -12.579 3.619 -16.552 193 HA LYS 22 HA LYS 22 -12.264 3.459 -19.339 194 HB2 LYS 22 2HB LYS 22 -13.630 1.934 -17.825 195 HB3 LYS 22 3HB LYS 22 -14.886 3.164 -17.876 196 HG2 LYS 22 2HG LYS 22 -14.924 2.945 -20.348 197 HG3 LYS 22 3HG LYS 22 -13.780 1.608 -20.203 198 HD2 LYS 22 2HD LYS 22 -16.280 1.514 -18.590 199 HD3 LYS 22 3HD LYS 22 -16.386 1.189 -20.322 200 HE2 LYS 22 2HE LYS 22 -14.524 -0.219 -18.412 201 HE3 LYS 22 3HE LYS 22 -16.079 -0.853 -18.950 202 HZ1 LYS 22 3HZ LYS 22 -13.551 -0.762 -20.336 203 HZ2 LYS 22 1HZ LYS 22 -14.866 -0.265 -21.277 204 HZ3 LYS 22 2HZ LYS 22 -14.871 -1.796 -20.558 205 H GLN 23 H GLN 23 -13.560 5.927 -17.346 206 HA GLN 23 HA GLN 23 -15.371 7.108 -19.166 207 HB2 GLN 23 2HB GLN 23 -13.802 8.358 -16.904 208 HB3 GLN 23 3HB GLN 23 -15.141 9.126 -17.746 209 HG2 GLN 23 2HG GLN 23 -16.215 6.726 -16.967 210 HG3 GLN 23 3HG GLN 23 -15.156 7.140 -15.620 211 HE21 GLN 23 1HE2 GLN 23 -15.736 8.727 -14.247 212 HE22 GLN 23 2HE2 GLN 23 -17.195 9.644 -14.375 213 H GLU 24 H GLU 24 -11.949 7.035 -19.028 214 HA GLU 24 HA GLU 24 -11.503 9.463 -20.496 215 HB2 GLU 24 2HB GLU 24 -9.875 8.270 -18.896 216 HB3 GLU 24 3HB GLU 24 -9.539 7.199 -20.248 217 HG2 GLU 24 2HG GLU 24 -8.838 9.115 -21.592 218 HG3 GLU 24 3HG GLU 24 -9.167 10.185 -20.231 219 H GLN 25 H GLN 25 -11.311 5.996 -21.274 220 HA GLN 25 HA GLN 25 -10.788 6.432 -24.040 221 HB2 GLN 25 2HB GLN 25 -11.426 4.073 -22.332 222 HB3 GLN 25 3HB GLN 25 -11.633 3.916 -24.071 223 HG2 GLN 25 2HG GLN 25 -9.097 4.687 -22.644 224 HG3 GLN 25 3HG GLN 25 -9.450 3.126 -23.384 225 HE21 GLN 25 1HE2 GLN 25 -8.473 6.380 -23.904 226 HE22 GLN 25 2HE2 GLN 25 -8.144 6.243 -25.594 227 HA PRO 26 HA PRO 26 -14.788 6.972 -25.752 228 HB2 PRO 26 2HB PRO 26 -14.660 5.491 -28.024 229 HB3 PRO 26 3HB PRO 26 -13.794 7.018 -27.823 230 HG2 PRO 26 2HG PRO 26 -12.781 4.215 -27.544 231 HG3 PRO 26 3HG PRO 26 -12.016 5.607 -28.331 232 HD2 PRO 26 2HD PRO 26 -11.327 4.779 -25.847 233 HD3 PRO 26 3HD PRO 26 -11.268 6.485 -26.336 Start of MODEL 13 1 H1 VAL 1 H VAL 1 2.941 0.104 -0.080 2 HA VAL 1 HA VAL 1 2.680 0.422 -2.870 3 HB VAL 1 HB VAL 1 4.854 -1.011 -1.337 4 HG11 VAL 1 1HG1 VAL 1 4.492 -0.323 -4.194 5 HG12 VAL 1 2HG1 VAL 1 6.097 -0.071 -3.504 6 HG13 VAL 1 3HG1 VAL 1 5.354 -1.670 -3.451 7 HG21 VAL 1 3HG2 VAL 1 6.072 1.143 -1.592 8 HG22 VAL 1 1HG2 VAL 1 4.586 1.861 -2.214 9 HG23 VAL 1 2HG2 VAL 1 4.648 1.254 -0.559 10 H SER 2 H SER 2 2.272 -2.311 -0.768 11 HA SER 2 HA SER 2 2.430 -4.275 -2.869 12 HB2 SER 2 2HB SER 2 1.689 -4.369 0.046 13 HB3 SER 2 3HB SER 2 1.432 -5.764 -1.001 14 HG SER 2 HG SER 2 3.588 -5.940 -1.317 15 H VAL 3 H VAL 3 0.030 -2.197 -1.591 16 HA VAL 3 HA VAL 3 -2.223 -3.802 -2.423 17 HB VAL 3 HB VAL 3 -2.199 -0.894 -1.607 18 HG11 VAL 3 1HG1 VAL 3 -4.278 -2.776 -2.408 19 HG12 VAL 3 2HG1 VAL 3 -4.601 -1.990 -0.862 20 HG13 VAL 3 3HG1 VAL 3 -4.320 -1.016 -2.306 21 HG21 VAL 3 3HG2 VAL 3 -3.187 -2.214 0.536 22 HG22 VAL 3 1HG2 VAL 3 -1.989 -3.374 -0.037 23 HG23 VAL 3 2HG2 VAL 3 -1.500 -1.729 0.368 24 H ASP 4 H ASP 4 -0.152 -1.431 -3.814 25 HA ASP 4 HA ASP 4 -1.826 -0.311 -5.755 26 HB2 ASP 4 2HB ASP 4 0.953 -0.286 -5.132 27 HB3 ASP 4 3HB ASP 4 0.788 -0.631 -6.852 28 HA PRO 5 HA PRO 5 -0.350 -3.874 -8.689 29 HB2 PRO 5 2HB PRO 5 0.760 -6.046 -7.497 30 HB3 PRO 5 3HB PRO 5 1.711 -4.661 -8.045 31 HG2 PRO 5 2HG PRO 5 0.744 -5.323 -5.291 32 HG3 PRO 5 3HG PRO 5 2.328 -4.714 -5.804 33 HD2 PRO 5 2HD PRO 5 0.427 -3.108 -4.738 34 HD3 PRO 5 3HD PRO 5 1.583 -2.539 -5.958 35 H PHE 6 H PHE 6 -1.540 -4.716 -5.480 36 HA PHE 6 HA PHE 6 -2.936 -7.049 -6.121 37 HB2 PHE 6 2HB PHE 6 -2.469 -5.973 -3.813 38 HB3 PHE 6 3HB PHE 6 -3.953 -5.069 -4.099 39 HD1 PHE 6 HD1 PHE 6 -6.104 -6.183 -4.128 40 HD2 PHE 6 HD2 PHE 6 -2.512 -8.346 -3.393 41 HE1 PHE 6 HE1 PHE 6 -7.423 -8.081 -3.285 42 HE2 PHE 6 HE2 PHE 6 -3.826 -10.247 -2.550 43 HZ PHE 6 HZ PHE 6 -6.284 -10.117 -2.496 44 H TYR 7 H TYR 7 -4.330 -3.791 -5.693 45 HA TYR 7 HA TYR 7 -6.814 -4.481 -6.864 46 HB2 TYR 7 2HB TYR 7 -7.462 -2.384 -6.287 47 HB3 TYR 7 3HB TYR 7 -5.975 -2.411 -5.346 48 HD1 TYR 7 HD2 TYR 7 -3.944 -1.274 -6.218 49 HD2 TYR 7 HD1 TYR 7 -7.715 -0.931 -8.159 50 HE1 TYR 7 HE2 TYR 7 -3.126 0.694 -7.446 51 HE2 TYR 7 HE1 TYR 7 -6.907 1.037 -9.394 52 HH TYR 7 HH TYR 7 -5.130 2.300 -9.887 53 H GLU 8 H GLU 8 -3.775 -3.633 -8.190 54 HA GLU 8 HA GLU 8 -4.734 -2.571 -10.670 55 HB2 GLU 8 2HB GLU 8 -2.106 -3.293 -9.511 56 HB3 GLU 8 3HB GLU 8 -2.219 -3.348 -11.264 57 HG2 GLU 8 2HG GLU 8 -3.118 -0.950 -9.712 58 HG3 GLU 8 3HG GLU 8 -1.433 -1.178 -10.176 59 H MET 9 H MET 9 -3.538 -5.724 -9.587 60 HA MET 9 HA MET 9 -3.883 -6.918 -12.186 61 HB2 MET 9 2HB MET 9 -3.149 -8.967 -11.150 62 HB3 MET 9 3HB MET 9 -2.122 -7.654 -10.591 63 HG2 MET 9 2HG MET 9 -3.430 -7.548 -8.511 64 HG3 MET 9 3HG MET 9 -4.393 -8.913 -9.072 65 HE1 MET 9 3HE MET 9 0.008 -9.034 -7.734 66 HE2 MET 9 1HE MET 9 -0.552 -7.986 -9.038 67 HE3 MET 9 2HE MET 9 -1.129 -7.729 -7.391 68 H LEU 10 H LEU 10 -5.614 -6.886 -9.112 69 HA LEU 10 HA LEU 10 -7.601 -8.770 -9.988 70 HB2 LEU 10 2HB LEU 10 -6.974 -7.279 -7.547 71 HB3 LEU 10 3HB LEU 10 -8.699 -7.498 -7.833 72 HG LEU 10 HG LEU 10 -7.920 -9.251 -6.396 73 HD11 LEU 10 1HD1 LEU 10 -8.035 -10.998 -8.667 74 HD12 LEU 10 2HD1 LEU 10 -9.186 -9.677 -8.858 75 HD13 LEU 10 3HD1 LEU 10 -9.248 -10.698 -7.422 76 HD21 LEU 10 3HD2 LEU 10 -5.958 -10.037 -8.543 77 HD22 LEU 10 1HD2 LEU 10 -6.135 -10.736 -6.933 78 HD23 LEU 10 2HD2 LEU 10 -5.528 -9.090 -7.117 79 H ALA 11 H ALA 11 -9.425 -8.366 -11.058 80 HA ALA 11 HA ALA 11 -9.998 -5.679 -11.930 81 HB1 ALA 11 1HB ALA 11 -10.770 -6.782 -13.690 82 HB2 ALA 11 2HB ALA 11 -10.577 -8.318 -12.843 83 HB3 ALA 11 3HB ALA 11 -12.085 -7.415 -12.699 84 H ALA 12 H ALA 12 -11.490 -8.076 -9.808 85 HA ALA 12 HA ALA 12 -13.875 -6.638 -9.311 86 HB1 ALA 12 1HB ALA 12 -14.437 -8.363 -7.970 87 HB2 ALA 12 2HB ALA 12 -13.063 -9.142 -8.756 88 HB3 ALA 12 3HB ALA 12 -12.865 -8.396 -7.170 89 H ARG 13 H ARG 13 -10.659 -6.258 -8.181 90 HA ARG 13 HA ARG 13 -11.308 -4.930 -5.723 91 HB2 ARG 13 2HB ARG 13 -8.867 -5.622 -7.219 92 HB3 ARG 13 3HB ARG 13 -8.761 -4.134 -6.288 93 HG2 ARG 13 2HG ARG 13 -9.544 -6.827 -5.193 94 HG3 ARG 13 3HG ARG 13 -7.960 -6.067 -5.027 95 HD2 ARG 13 2HD ARG 13 -9.377 -4.089 -4.032 96 HD3 ARG 13 3HD ARG 13 -10.553 -5.369 -3.734 97 HE ARG 13 HE ARG 13 -9.170 -6.233 -2.109 98 HH11 ARG 13 1HH1 ARG 13 -7.482 -3.792 -3.928 99 HH12 ARG 13 2HH1 ARG 13 -6.140 -3.720 -2.834 100 HH21 ARG 13 1HH2 ARG 13 -7.409 -6.148 -0.662 101 HH22 ARG 13 2HH2 ARG 13 -6.099 -5.061 -0.977 102 H LYS 14 H LYS 14 -10.475 -3.925 -9.002 103 HA LYS 14 HA LYS 14 -10.250 -1.163 -8.483 104 HB2 LYS 14 2HB LYS 14 -11.033 -2.585 -11.035 105 HB3 LYS 14 3HB LYS 14 -10.566 -0.893 -10.922 106 HG2 LYS 14 2HG LYS 14 -8.343 -1.501 -10.231 107 HG3 LYS 14 3HG LYS 14 -8.792 -3.207 -10.171 108 HD2 LYS 14 2HD LYS 14 -8.789 -3.428 -12.449 109 HD3 LYS 14 3HD LYS 14 -9.216 -1.737 -12.722 110 HE2 LYS 14 2HE LYS 14 -6.537 -2.619 -11.667 111 HE3 LYS 14 3HE LYS 14 -6.874 -2.401 -13.383 112 HZ1 LYS 14 3HZ LYS 14 -5.974 -0.382 -12.731 113 HZ2 LYS 14 1HZ LYS 14 -6.790 -0.365 -11.249 114 HZ3 LYS 14 2HZ LYS 14 -7.637 -0.077 -12.684 115 H LYS 15 H LYS 15 -11.897 -0.282 -7.323 116 HA LYS 15 HA LYS 15 -14.656 -0.784 -7.998 117 HB2 LYS 15 2HB LYS 15 -13.440 1.189 -6.055 118 HB3 LYS 15 3HB LYS 15 -15.152 0.807 -6.182 119 HG2 LYS 15 2HG LYS 15 -12.991 -1.157 -5.444 120 HG3 LYS 15 3HG LYS 15 -14.057 -0.334 -4.304 121 HD2 LYS 15 2HD LYS 15 -15.767 -1.720 -4.735 122 HD3 LYS 15 3HD LYS 15 -15.478 -1.678 -6.476 123 HE2 LYS 15 2HE LYS 15 -14.860 -3.819 -6.190 124 HE3 LYS 15 3HE LYS 15 -13.342 -3.118 -5.630 125 HZ1 LYS 15 3HZ LYS 15 -15.352 -4.546 -4.154 126 HZ2 LYS 15 1HZ LYS 15 -14.881 -3.104 -3.405 127 HZ3 LYS 15 2HZ LYS 15 -13.724 -4.279 -3.782 128 H ARG 16 H ARG 16 -13.211 2.397 -7.426 129 HA ARG 16 HA ARG 16 -14.850 3.537 -9.513 130 HB2 ARG 16 2HB ARG 16 -12.931 4.681 -7.497 131 HB3 ARG 16 3HB ARG 16 -13.607 5.670 -8.784 132 HG2 ARG 16 2HG ARG 16 -15.447 4.091 -7.055 133 HG3 ARG 16 3HG ARG 16 -14.734 5.578 -6.429 134 HD2 ARG 16 2HD ARG 16 -15.774 6.899 -8.039 135 HD3 ARG 16 3HD ARG 16 -16.060 5.531 -9.113 136 HE ARG 16 HE ARG 16 -17.748 6.435 -6.986 137 HH11 ARG 16 1HH1 ARG 16 -16.770 3.651 -8.833 138 HH12 ARG 16 2HH1 ARG 16 -18.246 2.786 -8.556 139 HH21 ARG 16 1HH2 ARG 16 -19.695 5.307 -6.615 140 HH22 ARG 16 2HH2 ARG 16 -19.909 3.730 -7.295 141 H ILE 17 H ILE 17 -11.621 2.404 -9.162 142 HA ILE 17 HA ILE 17 -10.440 3.946 -11.251 143 HB ILE 17 HB ILE 17 -8.707 2.030 -11.192 144 HG12 ILE 17 2HG1 ILE 17 -10.650 0.737 -9.777 145 HG13 ILE 17 3HG1 ILE 17 -8.939 0.328 -9.723 146 HG21 ILE 17 1HG2 ILE 17 -9.287 3.819 -8.842 147 HG22 ILE 17 2HG2 ILE 17 -7.792 2.902 -9.021 148 HG23 ILE 17 3HG2 ILE 17 -8.216 4.136 -10.207 149 HD11 ILE 17 3HD1 ILE 17 -10.105 0.549 -7.507 150 HD12 ILE 17 1HD1 ILE 17 -8.629 1.494 -7.700 151 HD13 ILE 17 2HD1 ILE 17 -10.203 2.280 -7.828 152 H SER 18 H SER 18 -12.039 0.817 -11.077 153 HA SER 18 HA SER 18 -11.346 -0.176 -13.596 154 HB2 SER 18 2HB SER 18 -12.371 -1.757 -12.236 155 HB3 SER 18 3HB SER 18 -13.642 -0.646 -11.727 156 HG SER 18 HG SER 18 -13.912 -2.456 -13.506 157 H VAL 19 H VAL 19 -14.354 1.500 -12.659 158 HA VAL 19 HA VAL 19 -15.378 1.756 -15.257 159 HB VAL 19 HB VAL 19 -16.810 2.065 -13.332 160 HG11 VAL 19 1HG1 VAL 19 -15.305 4.618 -12.778 161 HG12 VAL 19 2HG1 VAL 19 -16.644 3.947 -11.846 162 HG13 VAL 19 3HG1 VAL 19 -15.089 3.115 -11.880 163 HG21 VAL 19 3HG2 VAL 19 -17.178 3.313 -15.553 164 HG22 VAL 19 1HG2 VAL 19 -18.118 3.814 -14.148 165 HG23 VAL 19 2HG2 VAL 19 -16.715 4.756 -14.651 166 H LYS 20 H LYS 20 -13.295 3.876 -13.351 167 HA LYS 20 HA LYS 20 -13.326 6.104 -15.052 168 HB2 LYS 20 2HB LYS 20 -12.417 6.084 -12.735 169 HB3 LYS 20 3HB LYS 20 -11.042 5.153 -13.314 170 HG2 LYS 20 2HG LYS 20 -10.266 7.347 -13.218 171 HG3 LYS 20 3HG LYS 20 -10.629 7.086 -14.925 172 HD2 LYS 20 2HD LYS 20 -12.494 8.444 -14.873 173 HD3 LYS 20 3HD LYS 20 -12.729 8.230 -13.137 174 HE2 LYS 20 2HE LYS 20 -11.963 10.453 -13.459 175 HE3 LYS 20 3HE LYS 20 -10.609 9.539 -12.797 176 HZ1 LYS 20 3HZ LYS 20 -10.976 10.056 -15.694 177 HZ2 LYS 20 1HZ LYS 20 -9.611 9.410 -14.932 178 HZ3 LYS 20 2HZ LYS 20 -10.031 11.029 -14.682 179 H LYS 21 H LYS 21 -11.290 3.216 -15.032 180 HA LYS 21 HA LYS 21 -9.505 4.036 -17.055 181 HB2 LYS 21 2HB LYS 21 -9.021 2.165 -15.552 182 HB3 LYS 21 3HB LYS 21 -10.352 1.248 -16.246 183 HG2 LYS 21 2HG LYS 21 -8.235 2.223 -18.082 184 HG3 LYS 21 3HG LYS 21 -7.849 0.880 -17.003 185 HD2 LYS 21 2HD LYS 21 -10.104 -0.100 -17.872 186 HD3 LYS 21 3HD LYS 21 -9.864 1.027 -19.209 187 HE2 LYS 21 2HE LYS 21 -8.812 -0.833 -20.035 188 HE3 LYS 21 3HE LYS 21 -7.459 -0.026 -19.243 189 HZ1 LYS 21 3HZ LYS 21 -8.544 -1.560 -17.277 190 HZ2 LYS 21 1HZ LYS 21 -7.167 -1.943 -18.182 191 HZ3 LYS 21 2HZ LYS 21 -8.677 -2.547 -18.644 192 H LYS 22 H LYS 22 -12.569 2.277 -17.157 193 HA LYS 22 HA LYS 22 -12.487 1.762 -19.956 194 HB2 LYS 22 2HB LYS 22 -13.928 0.685 -18.021 195 HB3 LYS 22 3HB LYS 22 -15.073 1.943 -18.469 196 HG2 LYS 22 2HG LYS 22 -15.824 0.365 -19.881 197 HG3 LYS 22 3HG LYS 22 -14.509 0.955 -20.901 198 HD2 LYS 22 2HD LYS 22 -13.869 -1.164 -18.923 199 HD3 LYS 22 3HD LYS 22 -14.824 -1.626 -20.333 200 HE2 LYS 22 2HE LYS 22 -12.182 -0.177 -20.444 201 HE3 LYS 22 3HE LYS 22 -12.381 -1.917 -20.651 202 HZ1 LYS 22 3HZ LYS 22 -12.926 0.234 -22.500 203 HZ2 LYS 22 1HZ LYS 22 -14.140 -0.942 -22.426 204 HZ3 LYS 22 2HZ LYS 22 -12.553 -1.388 -22.804 205 H GLN 23 H GLN 23 -13.279 4.510 -18.071 206 HA GLN 23 HA GLN 23 -15.026 5.755 -19.970 207 HB2 GLN 23 2HB GLN 23 -13.568 6.753 -17.531 208 HB3 GLN 23 3HB GLN 23 -14.524 7.821 -18.550 209 HG2 GLN 23 2HG GLN 23 -15.795 5.336 -17.540 210 HG3 GLN 23 3HG GLN 23 -15.536 6.666 -16.413 211 HE21 GLN 23 1HE2 GLN 23 -17.995 6.291 -16.524 212 HE22 GLN 23 2HE2 GLN 23 -18.849 7.307 -17.630 213 H GLU 24 H GLU 24 -14.115 6.001 -21.952 214 HA GLU 24 HA GLU 24 -11.433 6.756 -22.415 215 HB2 GLU 24 2HB GLU 24 -12.992 5.606 -24.044 216 HB3 GLU 24 3HB GLU 24 -13.747 7.172 -24.307 217 HG2 GLU 24 2HG GLU 24 -12.059 6.533 -26.016 218 HG3 GLU 24 3HG GLU 24 -11.749 8.075 -25.220 219 H GLN 25 H GLN 25 -10.512 8.655 -22.069 220 HA GLN 25 HA GLN 25 -12.049 11.001 -21.503 221 HB2 GLN 25 2HB GLN 25 -9.155 10.298 -21.558 222 HB3 GLN 25 3HB GLN 25 -9.589 12.000 -21.653 223 HG2 GLN 25 2HG GLN 25 -10.951 10.480 -19.543 224 HG3 GLN 25 3HG GLN 25 -9.206 10.643 -19.353 225 HE21 GLN 25 1HE2 GLN 25 -12.192 12.102 -18.905 226 HE22 GLN 25 2HE2 GLN 25 -11.645 13.693 -18.512 227 HA PRO 26 HA PRO 26 -12.232 12.973 -25.415 228 HB2 PRO 26 2HB PRO 26 -11.750 15.570 -24.790 229 HB3 PRO 26 3HB PRO 26 -13.256 14.745 -24.371 230 HG2 PRO 26 2HG PRO 26 -10.858 15.293 -22.664 231 HG3 PRO 26 3HG PRO 26 -12.578 15.447 -22.260 232 HD2 PRO 26 2HD PRO 26 -11.088 13.320 -21.495 233 HD3 PRO 26 3HD PRO 26 -12.819 13.189 -21.869 Start of MODEL 14 1 H1 VAL 1 H VAL 1 1.483 0.023 1.118 2 HA VAL 1 HA VAL 1 1.729 0.778 -1.570 3 HB VAL 1 HB VAL 1 3.579 1.042 -0.024 4 HG11 VAL 1 1HG1 VAL 1 4.774 -0.743 0.953 5 HG12 VAL 1 2HG1 VAL 1 3.068 -1.109 1.215 6 HG13 VAL 1 3HG1 VAL 1 3.964 -1.940 -0.057 7 HG21 VAL 1 3HG2 VAL 1 3.773 0.176 -2.629 8 HG22 VAL 1 1HG2 VAL 1 5.081 0.868 -1.669 9 HG23 VAL 1 2HG2 VAL 1 4.893 -0.882 -1.772 10 H SER 2 H SER 2 1.439 -2.368 -0.052 11 HA SER 2 HA SER 2 2.085 -3.823 -2.453 12 HB2 SER 2 2HB SER 2 1.511 -5.815 -1.156 13 HB3 SER 2 3HB SER 2 2.557 -4.756 -0.211 14 HG SER 2 HG SER 2 0.834 -5.460 1.059 15 H VAL 3 H VAL 3 -0.708 -2.377 -1.104 16 HA VAL 3 HA VAL 3 -2.609 -4.052 -2.490 17 HB VAL 3 HB VAL 3 -4.307 -2.501 -1.664 18 HG11 VAL 3 1HG1 VAL 3 -2.345 -3.063 0.548 19 HG12 VAL 3 2HG1 VAL 3 -4.105 -2.986 0.651 20 HG13 VAL 3 3HG1 VAL 3 -3.328 -4.312 -0.215 21 HG21 VAL 3 3HG2 VAL 3 -2.970 -0.436 -1.912 22 HG22 VAL 3 1HG2 VAL 3 -3.737 -0.568 -0.330 23 HG23 VAL 3 2HG2 VAL 3 -2.017 -0.913 -0.507 24 H ASP 4 H ASP 4 -0.793 -1.204 -3.150 25 HA ASP 4 HA ASP 4 -2.429 0.065 -5.032 26 HB2 ASP 4 2HB ASP 4 0.237 0.328 -4.077 27 HB3 ASP 4 3HB ASP 4 0.303 0.304 -5.838 28 HA PRO 5 HA PRO 5 -0.169 -2.605 -8.385 29 HB2 PRO 5 2HB PRO 5 1.142 -4.811 -7.500 30 HB3 PRO 5 3HB PRO 5 1.919 -3.231 -7.660 31 HG2 PRO 5 2HG PRO 5 0.815 -4.561 -5.216 32 HG3 PRO 5 3HG PRO 5 2.329 -3.660 -5.411 33 HD2 PRO 5 2HD PRO 5 0.117 -2.566 -4.297 34 HD3 PRO 5 3HD PRO 5 1.281 -1.614 -5.241 35 H PHE 6 H PHE 6 -1.499 -4.238 -5.559 36 HA PHE 6 HA PHE 6 -2.474 -6.541 -6.817 37 HB2 PHE 6 2HB PHE 6 -2.336 -5.964 -4.299 38 HB3 PHE 6 3HB PHE 6 -3.909 -5.207 -4.535 39 HD1 PHE 6 HD1 PHE 6 -5.868 -6.549 -5.072 40 HD2 PHE 6 HD2 PHE 6 -2.079 -8.348 -4.349 41 HE1 PHE 6 HE1 PHE 6 -6.963 -8.735 -4.791 42 HE2 PHE 6 HE2 PHE 6 -3.167 -10.537 -4.068 43 HZ PHE 6 HZ PHE 6 -5.612 -10.732 -4.290 44 H TYR 7 H TYR 7 -4.232 -3.550 -5.989 45 HA TYR 7 HA TYR 7 -6.540 -4.307 -7.497 46 HB2 TYR 7 2HB TYR 7 -7.534 -2.516 -6.531 47 HB3 TYR 7 3HB TYR 7 -6.121 -2.541 -5.483 48 HD1 TYR 7 HD1 TYR 7 -4.263 -0.950 -5.873 49 HD2 TYR 7 HD2 TYR 7 -7.884 -0.746 -8.099 50 HE1 TYR 7 HE1 TYR 7 -3.694 1.336 -6.580 51 HE2 TYR 7 HE2 TYR 7 -7.324 1.540 -8.812 52 HH TYR 7 HH TYR 7 -4.293 3.092 -7.795 53 H GLU 8 H GLU 8 -3.542 -2.940 -8.301 54 HA GLU 8 HA GLU 8 -4.447 -1.424 -10.577 55 HB2 GLU 8 2HB GLU 8 -1.844 -2.031 -9.297 56 HB3 GLU 8 3HB GLU 8 -1.804 -1.690 -11.021 57 HG2 GLU 8 2HG GLU 8 -3.285 0.156 -9.216 58 HG3 GLU 8 3HG GLU 8 -1.524 0.224 -9.266 59 H MET 9 H MET 9 -2.922 -4.566 -10.018 60 HA MET 9 HA MET 9 -2.801 -5.187 -12.829 61 HB2 MET 9 2HB MET 9 -2.004 -7.391 -12.079 62 HB3 MET 9 3HB MET 9 -1.107 -6.080 -11.323 63 HG2 MET 9 2HG MET 9 -2.908 -6.408 -9.427 64 HG3 MET 9 3HG MET 9 -3.005 -8.021 -10.128 65 HE1 MET 9 3HE MET 9 -1.143 -9.891 -9.802 66 HE2 MET 9 1HE MET 9 -0.381 -8.899 -11.046 67 HE3 MET 9 2HE MET 9 0.554 -9.436 -9.651 68 H LEU 10 H LEU 10 -4.816 -6.103 -10.071 69 HA LEU 10 HA LEU 10 -6.416 -7.934 -11.596 70 HB2 LEU 10 2HB LEU 10 -6.323 -6.938 -8.827 71 HB3 LEU 10 3HB LEU 10 -7.921 -7.398 -9.412 72 HG LEU 10 HG LEU 10 -6.949 -9.252 -8.239 73 HD11 LEU 10 1HD1 LEU 10 -7.840 -9.349 -10.890 74 HD12 LEU 10 2HD1 LEU 10 -7.823 -10.661 -9.712 75 HD13 LEU 10 3HD1 LEU 10 -6.458 -10.441 -10.806 76 HD21 LEU 10 3HD2 LEU 10 -4.583 -8.520 -8.539 77 HD22 LEU 10 1HD2 LEU 10 -4.649 -9.153 -10.184 78 HD23 LEU 10 2HD2 LEU 10 -4.848 -10.243 -8.811 79 H ALA 11 H ALA 11 -8.047 -7.447 -12.897 80 HA ALA 11 HA ALA 11 -8.973 -4.728 -13.129 81 HB1 ALA 11 1HB ALA 11 -9.295 -7.233 -14.675 82 HB2 ALA 11 2HB ALA 11 -10.566 -6.020 -14.831 83 HB3 ALA 11 3HB ALA 11 -8.897 -5.604 -15.221 84 H ALA 12 H ALA 12 -9.998 -7.591 -11.523 85 HA ALA 12 HA ALA 12 -12.770 -6.814 -11.302 86 HB1 ALA 12 1HB ALA 12 -11.357 -8.939 -9.708 87 HB2 ALA 12 2HB ALA 12 -13.081 -8.805 -10.056 88 HB3 ALA 12 3HB ALA 12 -11.948 -9.196 -11.350 89 H ARG 13 H ARG 13 -9.851 -6.207 -9.600 90 HA ARG 13 HA ARG 13 -11.014 -5.662 -7.046 91 HB2 ARG 13 2HB ARG 13 -8.361 -5.584 -8.257 92 HB3 ARG 13 3HB ARG 13 -8.635 -4.248 -7.147 93 HG2 ARG 13 2HG ARG 13 -9.076 -7.142 -6.452 94 HG3 ARG 13 3HG ARG 13 -7.598 -6.244 -6.102 95 HD2 ARG 13 2HD ARG 13 -9.200 -4.563 -4.943 96 HD3 ARG 13 3HD ARG 13 -10.337 -5.911 -4.945 97 HE ARG 13 HE ARG 13 -9.072 -6.952 -3.331 98 HH11 ARG 13 1HH1 ARG 13 -7.317 -4.245 -4.640 99 HH12 ARG 13 2HH1 ARG 13 -6.075 -4.300 -3.433 100 HH21 ARG 13 1HH2 ARG 13 -7.442 -7.034 -1.737 101 HH22 ARG 13 2HH2 ARG 13 -6.147 -5.887 -1.783 102 H LYS 14 H LYS 14 -10.108 -3.720 -9.851 103 HA LYS 14 HA LYS 14 -10.494 -1.181 -8.736 104 HB2 LYS 14 2HB LYS 14 -10.888 -2.100 -11.590 105 HB3 LYS 14 3HB LYS 14 -10.798 -0.420 -11.080 106 HG2 LYS 14 2HG LYS 14 -8.523 -0.673 -10.404 107 HG3 LYS 14 3HG LYS 14 -8.591 -2.419 -10.650 108 HD2 LYS 14 2HD LYS 14 -8.219 -2.229 -12.852 109 HD3 LYS 14 3HD LYS 14 -9.353 -0.886 -13.015 110 HE2 LYS 14 2HE LYS 14 -7.412 0.203 -13.508 111 HE3 LYS 14 3HE LYS 14 -7.424 0.417 -11.758 112 HZ1 LYS 14 3HZ LYS 14 -5.277 -0.313 -12.318 113 HZ2 LYS 14 1HZ LYS 14 -5.853 -1.533 -13.339 114 HZ3 LYS 14 2HZ LYS 14 -6.047 -1.670 -11.664 115 H LYS 15 H LYS 15 -12.294 -0.669 -7.650 116 HA LYS 15 HA LYS 15 -14.891 -1.616 -8.487 117 HB2 LYS 15 2HB LYS 15 -13.960 0.152 -6.228 118 HB3 LYS 15 3HB LYS 15 -15.662 -0.167 -6.537 119 HG2 LYS 15 2HG LYS 15 -15.565 -2.186 -5.601 120 HG3 LYS 15 3HG LYS 15 -14.052 -2.590 -6.415 121 HD2 LYS 15 2HD LYS 15 -13.668 -2.580 -4.043 122 HD3 LYS 15 3HD LYS 15 -12.851 -1.183 -4.750 123 HE2 LYS 15 2HE LYS 15 -15.547 -0.505 -4.010 124 HE3 LYS 15 3HE LYS 15 -14.693 -1.206 -2.636 125 HZ1 LYS 15 3HZ LYS 15 -12.835 0.424 -3.344 126 HZ2 LYS 15 1HZ LYS 15 -14.162 1.011 -2.473 127 HZ3 LYS 15 2HZ LYS 15 -14.079 1.244 -4.146 128 H ARG 16 H ARG 16 -14.240 1.681 -7.423 129 HA ARG 16 HA ARG 16 -15.932 2.705 -9.533 130 HB2 ARG 16 2HB ARG 16 -15.887 3.513 -7.099 131 HB3 ARG 16 3HB ARG 16 -14.402 4.352 -7.529 132 HG2 ARG 16 2HG ARG 16 -16.288 5.856 -7.653 133 HG3 ARG 16 3HG ARG 16 -15.615 5.590 -9.262 134 HD2 ARG 16 2HD ARG 16 -18.132 5.552 -9.100 135 HD3 ARG 16 3HD ARG 16 -17.389 4.151 -9.869 136 HE ARG 16 HE ARG 16 -18.256 2.853 -8.209 137 HH11 ARG 16 1HH1 ARG 16 -18.152 6.152 -7.100 138 HH12 ARG 16 2HH1 ARG 16 -18.975 5.815 -5.613 139 HH21 ARG 16 1HH2 ARG 16 -19.341 2.398 -6.255 140 HH22 ARG 16 2HH2 ARG 16 -19.651 3.679 -5.133 141 H ILE 17 H ILE 17 -12.568 2.331 -8.918 142 HA ILE 17 HA ILE 17 -11.581 4.416 -10.563 143 HB ILE 17 HB ILE 17 -9.498 2.898 -10.659 144 HG12 ILE 17 2HG1 ILE 17 -11.258 0.996 -9.750 145 HG13 ILE 17 3HG1 ILE 17 -9.504 0.889 -9.636 146 HG21 ILE 17 1HG2 ILE 17 -8.954 3.439 -8.277 147 HG22 ILE 17 2HG2 ILE 17 -9.566 4.796 -9.220 148 HG23 ILE 17 3HG2 ILE 17 -10.625 3.966 -8.080 149 HD11 ILE 17 3HD1 ILE 17 -10.704 0.383 -7.527 150 HD12 ILE 17 1HD1 ILE 17 -9.538 1.699 -7.393 151 HD13 ILE 17 2HD1 ILE 17 -11.262 2.056 -7.496 152 H SER 18 H SER 18 -12.488 1.070 -11.176 153 HA SER 18 HA SER 18 -11.417 0.792 -13.744 154 HB2 SER 18 2HB SER 18 -13.188 -0.681 -12.037 155 HB3 SER 18 3HB SER 18 -13.867 -0.636 -13.664 156 HG SER 18 HG SER 18 -12.289 -1.856 -14.360 157 H VAL 19 H VAL 19 -14.796 1.543 -12.872 158 HA VAL 19 HA VAL 19 -15.653 2.153 -15.466 159 HB VAL 19 HB VAL 19 -17.258 1.732 -13.708 160 HG11 VAL 19 1HG1 VAL 19 -17.634 3.235 -11.868 161 HG12 VAL 19 2HG1 VAL 19 -15.934 2.760 -11.876 162 HG13 VAL 19 3HG1 VAL 19 -16.409 4.350 -12.475 163 HG21 VAL 19 3HG2 VAL 19 -18.793 3.029 -14.685 164 HG22 VAL 19 1HG2 VAL 19 -18.016 4.510 -14.123 165 HG23 VAL 19 2HG2 VAL 19 -17.459 3.727 -15.602 166 H LYS 20 H LYS 20 -14.254 4.193 -12.946 167 HA LYS 20 HA LYS 20 -14.669 6.684 -14.154 168 HB2 LYS 20 2HB LYS 20 -13.982 6.574 -11.858 169 HB3 LYS 20 3HB LYS 20 -12.505 5.719 -12.283 170 HG2 LYS 20 2HG LYS 20 -11.593 7.666 -13.322 171 HG3 LYS 20 3HG LYS 20 -13.123 8.531 -13.157 172 HD2 LYS 20 2HD LYS 20 -11.990 9.380 -11.358 173 HD3 LYS 20 3HD LYS 20 -12.760 7.983 -10.601 174 HE2 LYS 20 2HE LYS 20 -10.542 7.860 -9.886 175 HE3 LYS 20 3HE LYS 20 -10.620 6.714 -11.223 176 HZ1 LYS 20 3HZ LYS 20 -9.702 8.447 -12.672 177 HZ2 LYS 20 1HZ LYS 20 -8.651 8.058 -11.405 178 HZ3 LYS 20 2HZ LYS 20 -9.558 9.484 -11.344 179 H LYS 21 H LYS 21 -12.051 4.340 -14.513 180 HA LYS 21 HA LYS 21 -10.553 6.030 -16.302 181 HB2 LYS 21 2HB LYS 21 -9.416 4.426 -14.828 182 HB3 LYS 21 3HB LYS 21 -10.231 3.096 -15.640 183 HG2 LYS 21 2HG LYS 21 -8.704 4.903 -17.389 184 HG3 LYS 21 3HG LYS 21 -7.753 3.948 -16.249 185 HD2 LYS 21 2HD LYS 21 -9.270 1.988 -17.117 186 HD3 LYS 21 3HD LYS 21 -9.479 3.050 -18.512 187 HE2 LYS 21 2HE LYS 21 -6.748 2.440 -17.441 188 HE3 LYS 21 3HE LYS 21 -7.561 1.313 -18.526 189 HZ1 LYS 21 3HZ LYS 21 -7.461 2.775 -20.269 190 HZ2 LYS 21 1HZ LYS 21 -6.019 3.158 -19.471 191 HZ3 LYS 21 2HZ LYS 21 -7.378 4.145 -19.281 192 H LYS 22 H LYS 22 -13.110 3.764 -16.577 193 HA LYS 22 HA LYS 22 -12.616 3.072 -19.330 194 HB2 LYS 22 2HB LYS 22 -14.753 2.491 -17.327 195 HB3 LYS 22 3HB LYS 22 -15.124 2.277 -19.033 196 HG2 LYS 22 2HG LYS 22 -13.144 0.780 -19.209 197 HG3 LYS 22 3HG LYS 22 -12.956 0.907 -17.458 198 HD2 LYS 22 2HD LYS 22 -15.378 0.112 -17.315 199 HD3 LYS 22 3HD LYS 22 -15.212 -0.328 -19.016 200 HE2 LYS 22 2HE LYS 22 -13.403 -1.828 -18.502 201 HE3 LYS 22 3HE LYS 22 -13.385 -1.297 -16.821 202 HZ1 LYS 22 3HZ LYS 22 -14.572 -3.256 -16.732 203 HZ2 LYS 22 1HZ LYS 22 -15.360 -2.988 -18.205 204 HZ3 LYS 22 2HZ LYS 22 -15.813 -2.111 -16.832 205 H GLN 23 H GLN 23 -14.144 5.637 -17.649 206 HA GLN 23 HA GLN 23 -16.103 6.414 -19.496 207 HB2 GLN 23 2HB GLN 23 -14.502 7.923 -17.447 208 HB3 GLN 23 3HB GLN 23 -15.657 8.747 -18.486 209 HG2 GLN 23 2HG GLN 23 -16.425 6.380 -16.814 210 HG3 GLN 23 3HG GLN 23 -16.454 8.027 -16.187 211 HE21 GLN 23 1HE2 GLN 23 -18.729 6.497 -16.277 212 HE22 GLN 23 2HE2 GLN 23 -19.817 7.147 -17.450 213 H GLU 24 H GLU 24 -13.089 8.232 -18.995 214 HA GLU 24 HA GLU 24 -13.173 9.314 -21.631 215 HB2 GLU 24 2HB GLU 24 -12.159 10.399 -19.564 216 HB3 GLU 24 3HB GLU 24 -10.791 9.317 -19.782 217 HG2 GLU 24 2HG GLU 24 -10.456 11.587 -20.719 218 HG3 GLU 24 3HG GLU 24 -10.261 10.285 -21.891 219 H GLN 25 H GLN 25 -11.975 8.816 -23.423 220 HA GLN 25 HA GLN 25 -11.199 6.145 -23.805 221 HB2 GLN 25 2HB GLN 25 -11.009 8.659 -25.375 222 HB3 GLN 25 3HB GLN 25 -9.958 7.335 -25.858 223 HG2 GLN 25 2HG GLN 25 -12.021 7.314 -27.126 224 HG3 GLN 25 3HG GLN 25 -11.893 5.878 -26.111 225 HE21 GLN 25 1HE2 GLN 25 -13.368 5.532 -24.520 226 HE22 GLN 25 2HE2 GLN 25 -14.757 6.527 -24.266 227 HA PRO 26 HA PRO 26 -7.021 5.893 -22.495 228 HB2 PRO 26 2HB PRO 26 -5.882 4.385 -24.445 229 HB3 PRO 26 3HB PRO 26 -7.011 3.725 -23.255 230 HG2 PRO 26 2HG PRO 26 -7.519 4.574 -26.080 231 HG3 PRO 26 3HG PRO 26 -8.105 3.137 -25.221 232 HD2 PRO 26 2HD PRO 26 -9.640 5.336 -25.598 233 HD3 PRO 26 3HD PRO 26 -9.789 4.302 -24.162 Start of MODEL 15 1 H1 VAL 1 H VAL 1 2.789 0.649 -0.253 2 HA VAL 1 HA VAL 1 2.444 1.057 -3.021 3 HB VAL 1 HB VAL 1 4.574 1.481 -1.859 4 HG11 VAL 1 1HG1 VAL 1 4.970 -1.503 -1.830 5 HG12 VAL 1 2HG1 VAL 1 6.013 -0.263 -1.132 6 HG13 VAL 1 3HG1 VAL 1 4.428 -0.583 -0.427 7 HG21 VAL 1 3HG2 VAL 1 4.301 0.858 -4.377 8 HG22 VAL 1 1HG2 VAL 1 5.913 0.978 -3.671 9 HG23 VAL 1 2HG2 VAL 1 5.173 -0.604 -3.915 10 H SER 2 H SER 2 2.344 -1.793 -1.035 11 HA SER 2 HA SER 2 2.627 -3.639 -3.228 12 HB2 SER 2 2HB SER 2 1.738 -4.087 -0.369 13 HB3 SER 2 3HB SER 2 2.081 -5.363 -1.536 14 HG SER 2 HG SER 2 4.228 -4.275 -1.689 15 H VAL 3 H VAL 3 0.080 -1.855 -1.800 16 HA VAL 3 HA VAL 3 -2.037 -3.627 -2.652 17 HB VAL 3 HB VAL 3 -2.284 -0.765 -1.725 18 HG11 VAL 3 1HG1 VAL 3 -4.270 -1.583 -2.826 19 HG12 VAL 3 2HG1 VAL 3 -4.254 -3.046 -1.840 20 HG13 VAL 3 3HG1 VAL 3 -4.564 -1.480 -1.090 21 HG21 VAL 3 3HG2 VAL 3 -2.855 -1.848 0.492 22 HG22 VAL 3 1HG2 VAL 3 -2.148 -3.328 -0.156 23 HG23 VAL 3 2HG2 VAL 3 -1.154 -1.883 0.026 24 H ASP 4 H ASP 4 -0.235 -1.012 -3.980 25 HA ASP 4 HA ASP 4 -2.059 0.029 -5.827 26 HB2 ASP 4 2HB ASP 4 0.719 0.292 -5.267 27 HB3 ASP 4 3HB ASP 4 0.546 0.002 -6.996 28 HA PRO 5 HA PRO 5 -0.338 -3.246 -8.957 29 HB2 PRO 5 2HB PRO 5 1.002 -5.354 -7.893 30 HB3 PRO 5 3HB PRO 5 1.804 -3.862 -8.400 31 HG2 PRO 5 2HG PRO 5 0.981 -4.733 -5.657 32 HG3 PRO 5 3HG PRO 5 2.486 -3.955 -6.179 33 HD2 PRO 5 2HD PRO 5 0.473 -2.585 -4.994 34 HD3 PRO 5 3HD PRO 5 1.537 -1.855 -6.214 35 H PHE 6 H PHE 6 -1.399 -4.289 -5.771 36 HA PHE 6 HA PHE 6 -2.564 -6.735 -6.457 37 HB2 PHE 6 2HB PHE 6 -2.180 -5.749 -4.127 38 HB3 PHE 6 3HB PHE 6 -3.686 -4.870 -4.371 39 HD1 PHE 6 HD1 PHE 6 -2.212 -8.256 -4.173 40 HD2 PHE 6 HD2 PHE 6 -5.763 -5.912 -4.046 41 HE1 PHE 6 HE1 PHE 6 -3.475 -10.217 -3.391 42 HE2 PHE 6 HE2 PHE 6 -7.031 -7.870 -3.264 43 HZ PHE 6 HZ PHE 6 -5.888 -10.026 -2.934 44 H TYR 7 H TYR 7 -4.219 -3.606 -6.007 45 HA TYR 7 HA TYR 7 -6.651 -4.520 -7.162 46 HB2 TYR 7 2HB TYR 7 -7.500 -2.485 -6.579 47 HB3 TYR 7 3HB TYR 7 -6.057 -2.446 -5.573 48 HD1 TYR 7 HD2 TYR 7 -4.167 -1.021 -6.160 49 HD2 TYR 7 HD1 TYR 7 -7.691 -1.081 -8.545 50 HE1 TYR 7 HE2 TYR 7 -3.446 1.053 -7.268 51 HE2 TYR 7 HE1 TYR 7 -6.978 0.992 -9.660 52 HH TYR 7 HH TYR 7 -5.539 2.822 -9.399 53 H GLU 8 H GLU 8 -3.717 -3.330 -8.468 54 HA GLU 8 HA GLU 8 -4.780 -2.304 -10.917 55 HB2 GLU 8 2HB GLU 8 -2.115 -2.749 -9.746 56 HB3 GLU 8 3HB GLU 8 -2.181 -2.893 -11.497 57 HG2 GLU 8 2HG GLU 8 -3.213 -0.521 -9.964 58 HG3 GLU 8 3HG GLU 8 -1.598 -0.625 -10.663 59 H MET 9 H MET 9 -3.333 -5.371 -9.908 60 HA MET 9 HA MET 9 -3.550 -6.520 -12.542 61 HB2 MET 9 2HB MET 9 -2.667 -8.532 -11.547 62 HB3 MET 9 3HB MET 9 -1.752 -7.155 -10.946 63 HG2 MET 9 2HG MET 9 -3.072 -7.203 -8.877 64 HG3 MET 9 3HG MET 9 -3.936 -8.615 -9.480 65 HE1 MET 9 3HE MET 9 -0.153 -7.466 -9.454 66 HE2 MET 9 1HE MET 9 -0.737 -7.238 -7.805 67 HE3 MET 9 2HE MET 9 0.468 -8.479 -8.150 68 H LEU 10 H LEU 10 -5.316 -6.700 -9.495 69 HA LEU 10 HA LEU 10 -7.112 -8.743 -10.389 70 HB2 LEU 10 2HB LEU 10 -6.719 -7.118 -7.982 71 HB3 LEU 10 3HB LEU 10 -8.401 -7.524 -8.317 72 HG LEU 10 HG LEU 10 -7.469 -9.130 -6.784 73 HD11 LEU 10 1HD1 LEU 10 -8.782 -9.747 -9.113 74 HD12 LEU 10 2HD1 LEU 10 -8.532 -10.836 -7.750 75 HD13 LEU 10 3HD1 LEU 10 -7.422 -10.869 -9.119 76 HD21 LEU 10 3HD2 LEU 10 -5.097 -8.784 -7.494 77 HD22 LEU 10 1HD2 LEU 10 -5.428 -9.806 -8.893 78 HD23 LEU 10 2HD2 LEU 10 -5.555 -10.473 -7.265 79 H ALA 11 H ALA 11 -8.961 -8.548 -11.487 80 HA ALA 11 HA ALA 11 -9.726 -5.961 -12.504 81 HB1 ALA 11 1HB ALA 11 -10.010 -8.642 -13.345 82 HB2 ALA 11 2HB ALA 11 -11.633 -7.972 -13.175 83 HB3 ALA 11 3HB ALA 11 -10.452 -7.173 -14.214 84 H ALA 12 H ALA 12 -11.072 -8.368 -10.296 85 HA ALA 12 HA ALA 12 -13.550 -7.019 -9.900 86 HB1 ALA 12 1HB ALA 12 -13.691 -9.260 -9.384 87 HB2 ALA 12 2HB ALA 12 -12.137 -9.275 -8.548 88 HB3 ALA 12 3HB ALA 12 -13.544 -8.537 -7.781 89 H ARG 13 H ARG 13 -10.379 -6.585 -8.663 90 HA ARG 13 HA ARG 13 -11.088 -5.351 -6.190 91 HB2 ARG 13 2HB ARG 13 -8.586 -5.602 -7.806 92 HB3 ARG 13 3HB ARG 13 -8.647 -4.408 -6.516 93 HG2 ARG 13 2HG ARG 13 -9.502 -7.180 -5.889 94 HG3 ARG 13 3HG ARG 13 -7.780 -6.864 -6.107 95 HD2 ARG 13 2HD ARG 13 -8.545 -6.677 -3.750 96 HD3 ARG 13 3HD ARG 13 -7.802 -5.207 -4.376 97 HE ARG 13 HE ARG 13 -10.651 -5.612 -3.817 98 HH11 ARG 13 1HH1 ARG 13 -8.027 -3.525 -4.757 99 HH12 ARG 13 2HH1 ARG 13 -8.934 -2.066 -4.533 100 HH21 ARG 13 1HH2 ARG 13 -11.856 -3.698 -3.519 101 HH22 ARG 13 2HH2 ARG 13 -11.112 -2.166 -3.828 102 H LYS 14 H LYS 14 -10.350 -4.174 -9.435 103 HA LYS 14 HA LYS 14 -10.317 -1.422 -8.807 104 HB2 LYS 14 2HB LYS 14 -10.972 -2.807 -11.414 105 HB3 LYS 14 3HB LYS 14 -10.656 -1.086 -11.241 106 HG2 LYS 14 2HG LYS 14 -8.391 -1.521 -10.553 107 HG3 LYS 14 3HG LYS 14 -8.690 -3.261 -10.555 108 HD2 LYS 14 2HD LYS 14 -7.563 -2.787 -12.580 109 HD3 LYS 14 3HD LYS 14 -9.257 -3.027 -13.011 110 HE2 LYS 14 2HE LYS 14 -8.795 -1.118 -14.189 111 HE3 LYS 14 3HE LYS 14 -9.376 -0.425 -12.676 112 HZ1 LYS 14 3HZ LYS 14 -7.355 0.660 -13.393 113 HZ2 LYS 14 1HZ LYS 14 -6.531 -0.817 -13.432 114 HZ3 LYS 14 2HZ LYS 14 -7.070 -0.188 -11.958 115 H LYS 15 H LYS 15 -11.997 -0.550 -7.743 116 HA LYS 15 HA LYS 15 -14.722 -1.299 -8.338 117 HB2 LYS 15 2HB LYS 15 -13.662 0.870 -6.517 118 HB3 LYS 15 3HB LYS 15 -15.321 0.287 -6.571 119 HG2 LYS 15 2HG LYS 15 -14.862 -1.426 -5.231 120 HG3 LYS 15 3HG LYS 15 -13.419 -1.861 -6.149 121 HD2 LYS 15 2HD LYS 15 -13.571 0.363 -4.114 122 HD3 LYS 15 3HD LYS 15 -12.926 -1.251 -3.802 123 HE2 LYS 15 2HE LYS 15 -11.310 -0.834 -5.697 124 HE3 LYS 15 3HE LYS 15 -11.852 0.843 -5.681 125 HZ1 LYS 15 3HZ LYS 15 -9.786 0.106 -4.303 126 HZ2 LYS 15 1HZ LYS 15 -10.946 -0.374 -3.170 127 HZ3 LYS 15 2HZ LYS 15 -10.871 1.239 -3.671 128 H ARG 16 H ARG 16 -13.435 1.988 -7.976 129 HA ARG 16 HA ARG 16 -15.237 2.947 -10.016 130 HB2 ARG 16 2HB ARG 16 -13.106 4.449 -8.486 131 HB3 ARG 16 3HB ARG 16 -14.407 5.159 -9.433 132 HG2 ARG 16 2HG ARG 16 -14.828 3.440 -6.999 133 HG3 ARG 16 3HG ARG 16 -14.792 5.204 -6.985 134 HD2 ARG 16 2HD ARG 16 -16.610 4.959 -8.848 135 HD3 ARG 16 3HD ARG 16 -16.821 3.352 -8.154 136 HE ARG 16 HE ARG 16 -17.822 4.307 -6.329 137 HH11 ARG 16 1HH1 ARG 16 -16.173 6.770 -8.154 138 HH12 ARG 16 2HH1 ARG 16 -16.835 8.080 -7.234 139 HH21 ARG 16 1HH2 ARG 16 -18.701 6.023 -5.109 140 HH22 ARG 16 2HH2 ARG 16 -18.273 7.654 -5.502 141 H ILE 17 H ILE 17 -11.762 2.477 -9.636 142 HA ILE 17 HA ILE 17 -10.873 3.773 -11.935 143 HB ILE 17 HB ILE 17 -8.992 2.016 -11.864 144 HG12 ILE 17 2HG1 ILE 17 -10.775 0.652 -10.286 145 HG13 ILE 17 3HG1 ILE 17 -9.043 0.346 -10.350 146 HG21 ILE 17 1HG2 ILE 17 -9.612 3.834 -9.545 147 HG22 ILE 17 2HG2 ILE 17 -8.050 3.054 -9.789 148 HG23 ILE 17 3HG2 ILE 17 -8.656 4.204 -10.980 149 HD11 ILE 17 3HD1 ILE 17 -8.658 1.635 -8.403 150 HD12 ILE 17 1HD1 ILE 17 -10.304 2.268 -8.419 151 HD13 ILE 17 2HD1 ILE 17 -10.017 0.565 -8.059 152 H SER 18 H SER 18 -12.231 0.559 -11.507 153 HA SER 18 HA SER 18 -11.582 -0.539 -13.992 154 HB2 SER 18 2HB SER 18 -12.444 -2.121 -12.547 155 HB3 SER 18 3HB SER 18 -13.717 -1.050 -11.963 156 HG SER 18 HG SER 18 -14.967 -1.618 -13.592 157 H VAL 19 H VAL 19 -14.738 0.837 -13.048 158 HA VAL 19 HA VAL 19 -15.801 0.933 -15.634 159 HB VAL 19 HB VAL 19 -17.245 1.121 -13.706 160 HG11 VAL 19 1HG1 VAL 19 -16.017 3.830 -13.206 161 HG12 VAL 19 2HG1 VAL 19 -17.275 3.039 -12.253 162 HG13 VAL 19 3HG1 VAL 19 -15.641 2.374 -12.284 163 HG21 VAL 19 3HG2 VAL 19 -17.433 2.665 -15.996 164 HG22 VAL 19 1HG2 VAL 19 -18.735 2.314 -14.858 165 HG23 VAL 19 2HG2 VAL 19 -17.792 3.795 -14.691 166 H LYS 20 H LYS 20 -13.952 3.316 -13.799 167 HA LYS 20 HA LYS 20 -14.250 5.480 -15.566 168 HB2 LYS 20 2HB LYS 20 -12.192 4.748 -13.506 169 HB3 LYS 20 3HB LYS 20 -11.967 6.165 -14.523 170 HG2 LYS 20 2HG LYS 20 -13.920 7.198 -13.669 171 HG3 LYS 20 3HG LYS 20 -14.433 5.713 -12.865 172 HD2 LYS 20 2HD LYS 20 -12.866 5.928 -11.182 173 HD3 LYS 20 3HD LYS 20 -11.799 6.936 -12.163 174 HE2 LYS 20 2HE LYS 20 -13.171 8.834 -11.881 175 HE3 LYS 20 3HE LYS 20 -14.510 7.870 -11.259 176 HZ1 LYS 20 3HZ LYS 20 -12.260 7.461 -9.630 177 HZ2 LYS 20 1HZ LYS 20 -13.744 8.164 -9.220 178 HZ3 LYS 20 2HZ LYS 20 -12.486 9.127 -9.812 179 H LYS 21 H LYS 21 -11.909 2.839 -15.460 180 HA LYS 21 HA LYS 21 -10.176 3.789 -17.460 181 HB2 LYS 21 2HB LYS 21 -10.782 1.075 -16.338 182 HB3 LYS 21 3HB LYS 21 -9.726 1.231 -17.735 183 HG2 LYS 21 2HG LYS 21 -9.254 2.740 -15.182 184 HG3 LYS 21 3HG LYS 21 -8.609 1.122 -15.470 185 HD2 LYS 21 2HD LYS 21 -8.144 3.138 -17.587 186 HD3 LYS 21 3HD LYS 21 -7.268 3.363 -16.071 187 HE2 LYS 21 2HE LYS 21 -7.309 0.710 -17.469 188 HE3 LYS 21 3HE LYS 21 -6.166 1.968 -17.935 189 HZ1 LYS 21 3HZ LYS 21 -5.471 2.025 -15.551 190 HZ2 LYS 21 1HZ LYS 21 -5.096 0.588 -16.360 191 HZ3 LYS 21 2HZ LYS 21 -6.408 0.641 -15.295 192 H LYS 22 H LYS 22 -13.031 1.695 -17.635 193 HA LYS 22 HA LYS 22 -12.897 1.100 -20.369 194 HB2 LYS 22 2HB LYS 22 -14.366 -0.145 -18.922 195 HB3 LYS 22 3HB LYS 22 -15.268 1.307 -18.509 196 HG2 LYS 22 2HG LYS 22 -16.220 1.442 -20.672 197 HG3 LYS 22 3HG LYS 22 -15.120 0.214 -21.304 198 HD2 LYS 22 2HD LYS 22 -17.003 -1.052 -20.984 199 HD3 LYS 22 3HD LYS 22 -16.220 -1.259 -19.416 200 HE2 LYS 22 2HE LYS 22 -17.605 0.516 -18.480 201 HE3 LYS 22 3HE LYS 22 -18.366 0.764 -20.051 202 HZ1 LYS 22 3HZ LYS 22 -18.666 -1.911 -19.532 203 HZ2 LYS 22 1HZ LYS 22 -19.863 -0.722 -19.407 204 HZ3 LYS 22 2HZ LYS 22 -18.966 -1.165 -18.044 205 H GLN 23 H GLN 23 -13.712 4.005 -18.746 206 HA GLN 23 HA GLN 23 -15.288 5.121 -20.882 207 HB2 GLN 23 2HB GLN 23 -14.008 6.496 -18.514 208 HB3 GLN 23 3HB GLN 23 -15.235 7.182 -19.571 209 HG2 GLN 23 2HG GLN 23 -15.925 4.628 -18.276 210 HG3 GLN 23 3HG GLN 23 -15.770 6.026 -17.213 211 HE21 GLN 23 1HE2 GLN 23 -18.030 5.792 -16.805 212 HE22 GLN 23 2HE2 GLN 23 -19.187 6.410 -17.929 213 H GLU 24 H GLU 24 -14.679 6.895 -22.207 214 HA GLU 24 HA GLU 24 -12.009 6.691 -23.211 215 HB2 GLU 24 2HB GLU 24 -14.181 7.207 -24.511 216 HB3 GLU 24 3HB GLU 24 -13.954 8.859 -23.956 217 HG2 GLU 24 2HG GLU 24 -13.071 8.455 -26.220 218 HG3 GLU 24 3HG GLU 24 -11.846 9.014 -25.082 219 H GLN 25 H GLN 25 -10.357 7.549 -22.132 220 HA GLN 25 HA GLN 25 -10.652 9.818 -20.405 221 HB2 GLN 25 2HB GLN 25 -8.448 7.976 -21.172 222 HB3 GLN 25 3HB GLN 25 -7.996 9.554 -20.541 223 HG2 GLN 25 2HG GLN 25 -9.223 9.139 -18.508 224 HG3 GLN 25 3HG GLN 25 -9.813 7.604 -19.144 225 HE21 GLN 25 1HE2 GLN 25 -7.919 8.627 -16.891 226 HE22 GLN 25 2HE2 GLN 25 -6.604 7.510 -16.973 227 HA PRO 26 HA PRO 26 -9.643 13.139 -23.085 228 HB2 PRO 26 2HB PRO 26 -8.039 14.683 -21.532 229 HB3 PRO 26 3HB PRO 26 -9.779 14.530 -21.262 230 HG2 PRO 26 2HG PRO 26 -7.517 13.145 -19.873 231 HG3 PRO 26 3HG PRO 26 -8.985 13.861 -19.181 232 HD2 PRO 26 2HD PRO 26 -8.718 11.198 -19.596 233 HD3 PRO 26 3HD PRO 26 -10.280 12.032 -19.718 Start of MODEL 16 1 H1 VAL 1 H VAL 1 1.769 0.575 0.800 2 HA VAL 1 HA VAL 1 1.823 1.175 -1.983 3 HB VAL 1 HB VAL 1 3.751 1.607 -0.517 4 HG11 VAL 1 1HG1 VAL 1 4.668 -1.185 -0.540 5 HG12 VAL 1 2HG1 VAL 1 4.805 0.047 0.716 6 HG13 VAL 1 3HG1 VAL 1 3.300 -0.853 0.523 7 HG21 VAL 1 3HG2 VAL 1 4.787 -0.392 -2.455 8 HG22 VAL 1 1HG2 VAL 1 3.830 0.951 -3.081 9 HG23 VAL 1 2HG2 VAL 1 5.299 1.270 -2.159 10 H SER 2 H SER 2 1.562 -1.756 -0.119 11 HA SER 2 HA SER 2 2.180 -3.502 -2.326 12 HB2 SER 2 2HB SER 2 2.660 -4.196 -0.020 13 HB3 SER 2 3HB SER 2 0.943 -4.110 0.372 14 HG SER 2 HG SER 2 2.004 -6.233 -0.307 15 H VAL 3 H VAL 3 -0.588 -1.860 -1.161 16 HA VAL 3 HA VAL 3 -2.517 -3.662 -2.332 17 HB VAL 3 HB VAL 3 -4.188 -1.988 -1.705 18 HG11 VAL 3 1HG1 VAL 3 -2.576 -1.973 0.743 19 HG12 VAL 3 2HG1 VAL 3 -4.178 -2.648 0.441 20 HG13 VAL 3 3HG1 VAL 3 -2.736 -3.555 -0.019 21 HG21 VAL 3 3HG2 VAL 3 -1.769 -0.307 -1.317 22 HG22 VAL 3 1HG2 VAL 3 -3.350 0.118 -1.973 23 HG23 VAL 3 2HG2 VAL 3 -3.135 -0.058 -0.231 24 H ASP 4 H ASP 4 -0.663 -0.941 -3.333 25 HA ASP 4 HA ASP 4 -2.282 0.113 -5.355 26 HB2 ASP 4 2HB ASP 4 0.385 0.455 -4.439 27 HB3 ASP 4 3HB ASP 4 0.454 0.205 -6.181 28 HA PRO 5 HA PRO 5 -0.072 -2.980 -8.360 29 HB2 PRO 5 2HB PRO 5 1.206 -5.083 -7.212 30 HB3 PRO 5 3HB PRO 5 2.008 -3.548 -7.563 31 HG2 PRO 5 2HG PRO 5 0.887 -4.552 -4.975 32 HG3 PRO 5 3HG PRO 5 2.415 -3.706 -5.279 33 HD2 PRO 5 2HD PRO 5 0.223 -2.449 -4.306 34 HD3 PRO 5 3HD PRO 5 1.400 -1.638 -5.359 35 H PHE 6 H PHE 6 -1.409 -4.249 -5.352 36 HA PHE 6 HA PHE 6 -2.429 -6.666 -6.328 37 HB2 PHE 6 2HB PHE 6 -2.267 -5.800 -3.896 38 HB3 PHE 6 3HB PHE 6 -3.829 -5.052 -4.212 39 HD1 PHE 6 HD1 PHE 6 -5.803 -6.439 -4.650 40 HD2 PHE 6 HD2 PHE 6 -2.053 -8.154 -3.594 41 HE1 PHE 6 HE1 PHE 6 -6.929 -8.560 -4.111 42 HE2 PHE 6 HE2 PHE 6 -3.173 -10.278 -3.054 43 HZ PHE 6 HZ PHE 6 -5.613 -10.483 -3.312 44 H TYR 7 H TYR 7 -4.103 -3.549 -5.888 45 HA TYR 7 HA TYR 7 -6.446 -4.446 -7.271 46 HB2 TYR 7 2HB TYR 7 -7.400 -2.532 -6.524 47 HB3 TYR 7 3HB TYR 7 -5.979 -2.455 -5.488 48 HD1 TYR 7 HD1 TYR 7 -4.161 -0.897 -5.981 49 HD2 TYR 7 HD2 TYR 7 -7.664 -1.024 -8.393 50 HE1 TYR 7 HE1 TYR 7 -3.556 1.275 -6.963 51 HE2 TYR 7 HE2 TYR 7 -7.067 1.147 -9.384 52 HH TYR 7 HH TYR 7 -5.588 2.796 -9.452 53 H GLU 8 H GLU 8 -3.428 -3.231 -8.242 54 HA GLU 8 HA GLU 8 -4.324 -1.998 -10.688 55 HB2 GLU 8 2HB GLU 8 -1.722 -2.470 -9.347 56 HB3 GLU 8 3HB GLU 8 -1.686 -2.340 -11.100 57 HG2 GLU 8 2HG GLU 8 -2.740 -0.160 -10.986 58 HG3 GLU 8 3HG GLU 8 -2.858 -0.291 -9.232 59 H MET 9 H MET 9 -2.859 -5.069 -9.735 60 HA MET 9 HA MET 9 -2.724 -6.036 -12.446 61 HB2 MET 9 2HB MET 9 -1.981 -8.144 -11.421 62 HB3 MET 9 3HB MET 9 -1.065 -6.769 -10.820 63 HG2 MET 9 2HG MET 9 -2.892 -6.826 -8.921 64 HG3 MET 9 3HG MET 9 -3.015 -8.511 -9.421 65 HE1 MET 9 3HE MET 9 -0.357 -10.342 -8.184 66 HE2 MET 9 1HE MET 9 -1.494 -9.813 -6.944 67 HE3 MET 9 2HE MET 9 -2.059 -10.115 -8.586 68 H LEU 10 H LEU 10 -4.788 -6.557 -9.624 69 HA LEU 10 HA LEU 10 -6.412 -8.530 -10.933 70 HB2 LEU 10 2HB LEU 10 -6.321 -7.210 -8.303 71 HB3 LEU 10 3HB LEU 10 -7.923 -7.706 -8.845 72 HG LEU 10 HG LEU 10 -6.991 -9.422 -7.445 73 HD11 LEU 10 1HD1 LEU 10 -8.013 -9.836 -9.950 74 HD12 LEU 10 2HD1 LEU 10 -7.758 -11.081 -8.727 75 HD13 LEU 10 3HD1 LEU 10 -6.540 -10.806 -9.973 76 HD21 LEU 10 3HD2 LEU 10 -4.610 -8.787 -7.824 77 HD22 LEU 10 1HD2 LEU 10 -4.690 -9.610 -9.382 78 HD23 LEU 10 2HD2 LEU 10 -4.914 -10.523 -7.890 79 H ALA 11 H ALA 11 -8.164 -8.228 -12.156 80 HA ALA 11 HA ALA 11 -8.947 -5.545 -12.861 81 HB1 ALA 11 1HB ALA 11 -9.004 -6.838 -14.738 82 HB2 ALA 11 2HB ALA 11 -9.550 -8.273 -13.869 83 HB3 ALA 11 3HB ALA 11 -10.689 -6.979 -14.237 84 H ALA 12 H ALA 12 -10.367 -8.277 -11.130 85 HA ALA 12 HA ALA 12 -12.937 -7.130 -10.789 86 HB1 ALA 12 1HB ALA 12 -12.838 -8.843 -8.744 87 HB2 ALA 12 2HB ALA 12 -13.076 -9.361 -10.413 88 HB3 ALA 12 3HB ALA 12 -11.474 -9.451 -9.682 89 H ARG 13 H ARG 13 -9.916 -6.596 -9.255 90 HA ARG 13 HA ARG 13 -10.899 -5.664 -6.746 91 HB2 ARG 13 2HB ARG 13 -8.324 -5.927 -8.073 92 HB3 ARG 13 3HB ARG 13 -8.443 -4.427 -7.163 93 HG2 ARG 13 2HG ARG 13 -8.913 -7.196 -6.076 94 HG3 ARG 13 3HG ARG 13 -7.479 -6.201 -5.814 95 HD2 ARG 13 2HD ARG 13 -9.128 -4.460 -4.874 96 HD3 ARG 13 3HD ARG 13 -10.267 -5.802 -4.785 97 HE ARG 13 HE ARG 13 -9.067 -6.677 -3.027 98 HH11 ARG 13 1HH1 ARG 13 -7.266 -4.100 -4.522 99 HH12 ARG 13 2HH1 ARG 13 -6.076 -4.026 -3.264 100 HH21 ARG 13 1HH2 ARG 13 -7.506 -6.590 -1.365 101 HH22 ARG 13 2HH2 ARG 13 -6.213 -5.444 -1.470 102 H LYS 14 H LYS 14 -9.974 -4.095 -9.778 103 HA LYS 14 HA LYS 14 -10.196 -1.435 -8.935 104 HB2 LYS 14 2HB LYS 14 -10.711 -2.617 -11.670 105 HB3 LYS 14 3HB LYS 14 -10.493 -0.904 -11.336 106 HG2 LYS 14 2HG LYS 14 -8.225 -1.250 -10.674 107 HG3 LYS 14 3HG LYS 14 -8.420 -3.003 -10.747 108 HD2 LYS 14 2HD LYS 14 -8.848 -2.823 -13.172 109 HD3 LYS 14 3HD LYS 14 -8.564 -1.083 -13.072 110 HE2 LYS 14 2HE LYS 14 -6.286 -1.593 -12.175 111 HE3 LYS 14 3HE LYS 14 -6.594 -3.295 -12.514 112 HZ1 LYS 14 3HZ LYS 14 -7.171 -1.743 -14.799 113 HZ2 LYS 14 1HZ LYS 14 -6.028 -2.977 -14.616 114 HZ3 LYS 14 2HZ LYS 14 -5.611 -1.378 -14.257 115 H LYS 15 H LYS 15 -11.973 -0.915 -7.753 116 HA LYS 15 HA LYS 15 -14.623 -1.689 -8.595 117 HB2 LYS 15 2HB LYS 15 -13.633 0.068 -6.346 118 HB3 LYS 15 3HB LYS 15 -15.333 -0.283 -6.632 119 HG2 LYS 15 2HG LYS 15 -13.193 -2.306 -6.002 120 HG3 LYS 15 3HG LYS 15 -14.422 -1.705 -4.887 121 HD2 LYS 15 2HD LYS 15 -14.922 -3.258 -7.427 122 HD3 LYS 15 3HD LYS 15 -15.057 -3.880 -5.780 123 HE2 LYS 15 2HE LYS 15 -16.726 -1.697 -7.025 124 HE3 LYS 15 3HE LYS 15 -17.253 -3.337 -6.651 125 HZ1 LYS 15 3HZ LYS 15 -16.673 -1.115 -4.808 126 HZ2 LYS 15 1HZ LYS 15 -16.553 -2.714 -4.266 127 HZ3 LYS 15 2HZ LYS 15 -18.024 -2.132 -4.864 128 H ARG 16 H ARG 16 -13.671 1.556 -7.560 129 HA ARG 16 HA ARG 16 -15.379 2.724 -9.571 130 HB2 ARG 16 2HB ARG 16 -13.764 3.782 -7.279 131 HB3 ARG 16 3HB ARG 16 -14.358 4.888 -8.511 132 HG2 ARG 16 2HG ARG 16 -16.182 2.988 -7.077 133 HG3 ARG 16 3HG ARG 16 -15.777 4.576 -6.423 134 HD2 ARG 16 2HD ARG 16 -16.517 5.499 -8.687 135 HD3 ARG 16 3HD ARG 16 -17.230 3.911 -8.966 136 HE ARG 16 HE ARG 16 -18.930 4.486 -7.558 137 HH11 ARG 16 1HH1 ARG 16 -16.222 6.589 -6.955 138 HH12 ARG 16 2HH1 ARG 16 -17.085 7.596 -5.840 139 HH21 ARG 16 1HH2 ARG 16 -20.077 5.804 -6.092 140 HH22 ARG 16 2HH2 ARG 16 -19.278 7.148 -5.349 141 H ILE 17 H ILE 17 -12.045 1.977 -9.229 142 HA ILE 17 HA ILE 17 -11.028 3.926 -11.052 143 HB ILE 17 HB ILE 17 -9.042 2.283 -11.142 144 HG12 ILE 17 2HG1 ILE 17 -10.818 0.551 -10.007 145 HG13 ILE 17 3HG1 ILE 17 -9.068 0.385 -9.914 146 HG21 ILE 17 1HG2 ILE 17 -8.892 4.285 -9.872 147 HG22 ILE 17 2HG2 ILE 17 -9.951 3.644 -8.617 148 HG23 ILE 17 3HG2 ILE 17 -8.333 2.976 -8.832 149 HD11 ILE 17 3HD1 ILE 17 -10.334 0.142 -7.754 150 HD12 ILE 17 1HD1 ILE 17 -9.002 1.297 -7.745 151 HD13 ILE 17 2HD1 ILE 17 -10.666 1.871 -7.855 152 H SER 18 H SER 18 -12.185 0.618 -11.329 153 HA SER 18 HA SER 18 -11.282 0.044 -13.911 154 HB2 SER 18 2HB SER 18 -12.124 -1.816 -12.804 155 HB3 SER 18 3HB SER 18 -13.547 -0.954 -12.221 156 HG SER 18 HG SER 18 -13.143 -1.456 -14.970 157 H VAL 19 H VAL 19 -14.502 1.215 -12.914 158 HA VAL 19 HA VAL 19 -15.460 1.652 -15.525 159 HB VAL 19 HB VAL 19 -16.933 1.488 -13.553 160 HG11 VAL 19 1HG1 VAL 19 -17.082 3.109 -11.897 161 HG12 VAL 19 2HG1 VAL 19 -15.343 2.990 -12.173 162 HG13 VAL 19 3HG1 VAL 19 -16.259 4.325 -12.873 163 HG21 VAL 19 3HG2 VAL 19 -17.079 3.795 -15.432 164 HG22 VAL 19 1HG2 VAL 19 -18.106 2.367 -15.316 165 HG23 VAL 19 2HG2 VAL 19 -18.275 3.673 -14.143 166 H LYS 20 H LYS 20 -13.758 3.741 -13.250 167 HA LYS 20 HA LYS 20 -14.026 6.117 -14.799 168 HB2 LYS 20 2HB LYS 20 -13.545 6.023 -12.330 169 HB3 LYS 20 3HB LYS 20 -11.912 5.505 -12.729 170 HG2 LYS 20 2HG LYS 20 -11.342 7.565 -13.632 171 HG3 LYS 20 3HG LYS 20 -13.027 8.039 -13.861 172 HD2 LYS 20 2HD LYS 20 -13.334 8.403 -11.540 173 HD3 LYS 20 3HD LYS 20 -11.811 7.604 -11.142 174 HE2 LYS 20 2HE LYS 20 -11.957 10.107 -12.805 175 HE3 LYS 20 3HE LYS 20 -11.820 10.138 -11.048 176 HZ1 LYS 20 3HZ LYS 20 -9.853 8.432 -11.791 177 HZ2 LYS 20 1HZ LYS 20 -9.638 10.068 -11.417 178 HZ3 LYS 20 2HZ LYS 20 -9.815 9.585 -13.029 179 H LYS 21 H LYS 21 -12.048 3.357 -15.056 180 HA LYS 21 HA LYS 21 -9.863 4.659 -16.421 181 HB2 LYS 21 2HB LYS 21 -9.517 2.621 -15.061 182 HB3 LYS 21 3HB LYS 21 -10.524 1.717 -16.184 183 HG2 LYS 21 2HG LYS 21 -8.303 3.155 -17.440 184 HG3 LYS 21 3HG LYS 21 -7.819 1.889 -16.308 185 HD2 LYS 21 2HD LYS 21 -8.625 0.225 -17.619 186 HD3 LYS 21 3HD LYS 21 -9.976 1.197 -18.207 187 HE2 LYS 21 2HE LYS 21 -8.573 2.340 -19.759 188 HE3 LYS 21 3HE LYS 21 -7.119 1.640 -19.050 189 HZ1 LYS 21 3HZ LYS 21 -8.168 -0.582 -19.717 190 HZ2 LYS 21 1HZ LYS 21 -7.481 0.370 -20.935 191 HZ3 LYS 21 2HZ LYS 21 -9.160 0.337 -20.735 192 H LYS 22 H LYS 22 -12.545 2.513 -17.328 193 HA LYS 22 HA LYS 22 -11.930 2.626 -20.123 194 HB2 LYS 22 2HB LYS 22 -14.087 1.454 -20.407 195 HB3 LYS 22 3HB LYS 22 -13.054 0.678 -19.213 196 HG2 LYS 22 2HG LYS 22 -14.914 0.651 -17.970 197 HG3 LYS 22 3HG LYS 22 -14.497 2.333 -17.632 198 HD2 LYS 22 2HD LYS 22 -15.880 2.931 -19.677 199 HD3 LYS 22 3HD LYS 22 -16.473 1.269 -19.638 200 HE2 LYS 22 2HE LYS 22 -16.585 2.867 -17.132 201 HE3 LYS 22 3HE LYS 22 -17.746 3.235 -18.406 202 HZ1 LYS 22 3HZ LYS 22 -17.576 0.923 -16.674 203 HZ2 LYS 22 1HZ LYS 22 -17.905 0.568 -18.295 204 HZ3 LYS 22 2HZ LYS 22 -18.921 1.611 -17.435 205 H GLN 23 H GLN 23 -14.282 4.197 -17.998 206 HA GLN 23 HA GLN 23 -15.697 5.562 -20.021 207 HB2 GLN 23 2HB GLN 23 -16.813 6.662 -18.311 208 HB3 GLN 23 3HB GLN 23 -16.288 5.184 -17.516 209 HG2 GLN 23 2HG GLN 23 -15.545 6.565 -15.929 210 HG3 GLN 23 3HG GLN 23 -14.181 6.808 -17.019 211 HE21 GLN 23 1HE2 GLN 23 -17.051 8.176 -15.668 212 HE22 GLN 23 2HE2 GLN 23 -16.824 9.780 -16.268 213 H GLU 24 H GLU 24 -12.574 6.007 -18.790 214 HA GLU 24 HA GLU 24 -12.410 8.845 -19.240 215 HB2 GLU 24 2HB GLU 24 -11.000 7.791 -17.549 216 HB3 GLU 24 3HB GLU 24 -10.250 6.782 -18.778 217 HG2 GLU 24 2HG GLU 24 -9.805 9.262 -19.785 218 HG3 GLU 24 3HG GLU 24 -9.733 9.569 -18.051 219 H GLN 25 H GLN 25 -12.020 9.840 -21.103 220 HA GLN 25 HA GLN 25 -11.830 8.433 -23.542 221 HB2 GLN 25 2HB GLN 25 -11.653 11.296 -22.725 222 HB3 GLN 25 3HB GLN 25 -11.101 10.853 -24.335 223 HG2 GLN 25 2HG GLN 25 -13.846 10.407 -23.187 224 HG3 GLN 25 3HG GLN 25 -13.392 11.579 -24.423 225 HE21 GLN 25 1HE2 GLN 25 -14.189 8.310 -23.742 226 HE22 GLN 25 2HE2 GLN 25 -14.172 7.734 -25.370 227 HA PRO 26 HA PRO 26 -7.537 7.783 -24.156 228 HB2 PRO 26 2HB PRO 26 -7.230 8.351 -26.793 229 HB3 PRO 26 3HB PRO 26 -8.060 6.902 -26.212 230 HG2 PRO 26 2HG PRO 26 -9.215 9.492 -27.173 231 HG3 PRO 26 3HG PRO 26 -9.739 7.834 -27.524 232 HD2 PRO 26 2HD PRO 26 -10.978 9.396 -25.692 233 HD3 PRO 26 3HD PRO 26 -10.865 7.632 -25.523 Start of MODEL 17 1 H1 VAL 1 H VAL 1 2.047 0.558 0.724 2 HA VAL 1 HA VAL 1 2.054 0.966 -2.050 3 HB VAL 1 HB VAL 1 4.031 1.336 -0.633 4 HG11 VAL 1 1HG1 VAL 1 4.460 -1.636 -0.614 5 HG12 VAL 1 2HG1 VAL 1 5.296 -0.394 0.320 6 HG13 VAL 1 3HG1 VAL 1 3.622 -0.807 0.698 7 HG21 VAL 1 3HG2 VAL 1 3.954 0.235 -3.209 8 HG22 VAL 1 1HG2 VAL 1 5.255 1.177 -2.481 9 HG23 VAL 1 2HG2 VAL 1 5.274 -0.584 -2.374 10 H SER 2 H SER 2 1.683 -1.917 -0.140 11 HA SER 2 HA SER 2 2.192 -3.727 -2.321 12 HB2 SER 2 2HB SER 2 2.705 -4.650 -0.222 13 HB3 SER 2 3HB SER 2 1.212 -4.058 0.505 14 HG SER 2 HG SER 2 0.593 -6.042 0.115 15 H VAL 3 H VAL 3 -0.481 -1.934 -1.158 16 HA VAL 3 HA VAL 3 -2.508 -3.658 -2.279 17 HB VAL 3 HB VAL 3 -4.072 -1.825 -1.708 18 HG11 VAL 3 1HG1 VAL 3 -2.172 -2.674 0.474 19 HG12 VAL 3 2HG1 VAL 3 -3.760 -1.955 0.747 20 HG13 VAL 3 3HG1 VAL 3 -3.625 -3.521 -0.055 21 HG21 VAL 3 3HG2 VAL 3 -3.291 0.134 -0.517 22 HG22 VAL 3 1HG2 VAL 3 -1.624 -0.427 -0.636 23 HG23 VAL 3 2HG2 VAL 3 -2.503 0.040 -2.092 24 H ASP 4 H ASP 4 -0.527 -1.058 -3.351 25 HA ASP 4 HA ASP 4 -2.114 0.040 -5.378 26 HB2 ASP 4 2HB ASP 4 0.561 0.289 -4.481 27 HB3 ASP 4 3HB ASP 4 0.630 -0.034 -6.211 28 HA PRO 5 HA PRO 5 -0.087 -3.209 -8.346 29 HB2 PRO 5 2HB PRO 5 1.111 -5.345 -7.175 30 HB3 PRO 5 3HB PRO 5 1.976 -3.853 -7.566 31 HG2 PRO 5 2HG PRO 5 0.847 -4.758 -4.945 32 HG3 PRO 5 3HG PRO 5 2.407 -3.986 -5.284 33 HD2 PRO 5 2HD PRO 5 0.286 -2.615 -4.308 34 HD3 PRO 5 3HD PRO 5 1.484 -1.877 -5.391 35 H PHE 6 H PHE 6 -1.474 -4.320 -5.307 36 HA PHE 6 HA PHE 6 -2.592 -6.728 -6.187 37 HB2 PHE 6 2HB PHE 6 -2.414 -5.788 -3.795 38 HB3 PHE 6 3HB PHE 6 -3.920 -4.949 -4.154 39 HD1 PHE 6 HD2 PHE 6 -2.347 -8.247 -3.733 40 HD2 PHE 6 HD1 PHE 6 -5.994 -6.108 -4.227 41 HE1 PHE 6 HE2 PHE 6 -3.611 -10.268 -3.124 42 HE2 PHE 6 HE1 PHE 6 -7.263 -8.126 -3.618 43 HZ PHE 6 HZ PHE 6 -6.072 -10.209 -3.067 44 H TYR 7 H TYR 7 -4.204 -3.566 -5.823 45 HA TYR 7 HA TYR 7 -6.541 -4.415 -7.222 46 HB2 TYR 7 2HB TYR 7 -7.432 -2.428 -6.580 47 HB3 TYR 7 3HB TYR 7 -6.041 -2.392 -5.502 48 HD1 TYR 7 HD2 TYR 7 -4.081 -0.993 -6.058 49 HD2 TYR 7 HD1 TYR 7 -7.620 -0.906 -8.419 50 HE1 TYR 7 HE2 TYR 7 -3.341 1.119 -7.078 51 HE2 TYR 7 HE1 TYR 7 -6.890 1.206 -9.446 52 HH TYR 7 HH TYR 7 -3.737 2.627 -8.681 53 H GLU 8 H GLU 8 -3.485 -3.199 -8.180 54 HA GLU 8 HA GLU 8 -4.306 -2.063 -10.676 55 HB2 GLU 8 2HB GLU 8 -1.729 -2.643 -9.322 56 HB3 GLU 8 3HB GLU 8 -1.693 -2.527 -11.076 57 HG2 GLU 8 2HG GLU 8 -2.918 -0.398 -9.354 58 HG3 GLU 8 3HG GLU 8 -1.204 -0.415 -9.768 59 H MET 9 H MET 9 -2.968 -5.171 -9.648 60 HA MET 9 HA MET 9 -2.898 -6.210 -12.336 61 HB2 MET 9 2HB MET 9 -2.098 -8.247 -11.350 62 HB3 MET 9 3HB MET 9 -1.288 -6.903 -10.556 63 HG2 MET 9 2HG MET 9 -2.900 -7.090 -8.691 64 HG3 MET 9 3HG MET 9 -3.591 -8.509 -9.476 65 HE1 MET 9 3HE MET 9 -2.605 -10.488 -9.967 66 HE2 MET 9 1HE MET 9 -1.085 -11.167 -9.384 67 HE3 MET 9 2HE MET 9 -2.487 -11.100 -8.316 68 H LEU 10 H LEU 10 -4.975 -6.518 -9.501 69 HA LEU 10 HA LEU 10 -6.685 -8.473 -10.749 70 HB2 LEU 10 2HB LEU 10 -6.644 -7.011 -8.155 71 HB3 LEU 10 3HB LEU 10 -8.154 -7.748 -8.688 72 HG LEU 10 HG LEU 10 -6.288 -9.775 -8.974 73 HD11 LEU 10 1HD1 LEU 10 -5.120 -9.895 -6.859 74 HD12 LEU 10 2HD1 LEU 10 -5.795 -8.342 -6.368 75 HD13 LEU 10 3HD1 LEU 10 -4.662 -8.424 -7.717 76 HD21 LEU 10 3HD2 LEU 10 -8.677 -9.741 -8.081 77 HD22 LEU 10 1HD2 LEU 10 -7.960 -9.363 -6.514 78 HD23 LEU 10 2HD2 LEU 10 -7.550 -10.872 -7.330 79 H ALA 11 H ALA 11 -8.491 -8.125 -11.893 80 HA ALA 11 HA ALA 11 -9.144 -5.430 -12.675 81 HB1 ALA 11 1HB ALA 11 -9.502 -8.036 -13.759 82 HB2 ALA 11 2HB ALA 11 -11.077 -7.248 -13.659 83 HB3 ALA 11 3HB ALA 11 -9.757 -6.472 -14.533 84 H ALA 12 H ALA 12 -10.652 -7.999 -10.777 85 HA ALA 12 HA ALA 12 -13.152 -6.766 -10.397 86 HB1 ALA 12 1HB ALA 12 -12.161 -8.419 -8.178 87 HB2 ALA 12 2HB ALA 12 -13.639 -8.559 -9.130 88 HB3 ALA 12 3HB ALA 12 -12.118 -9.185 -9.766 89 H ARG 13 H ARG 13 -10.125 -6.574 -8.586 90 HA ARG 13 HA ARG 13 -11.065 -5.157 -6.364 91 HB2 ARG 13 2HB ARG 13 -8.485 -5.811 -7.541 92 HB3 ARG 13 3HB ARG 13 -8.483 -4.222 -6.787 93 HG2 ARG 13 2HG ARG 13 -9.343 -6.771 -5.434 94 HG3 ARG 13 3HG ARG 13 -7.758 -6.013 -5.265 95 HD2 ARG 13 2HD ARG 13 -9.180 -3.913 -4.602 96 HD3 ARG 13 3HD ARG 13 -10.415 -5.119 -4.243 97 HE ARG 13 HE ARG 13 -9.180 -5.813 -2.429 98 HH11 ARG 13 1HH1 ARG 13 -7.278 -3.667 -4.404 99 HH12 ARG 13 2HH1 ARG 13 -6.009 -3.505 -3.235 100 HH21 ARG 13 1HH2 ARG 13 -7.516 -5.607 -0.882 101 HH22 ARG 13 2HH2 ARG 13 -6.146 -4.609 -1.232 102 H LYS 14 H LYS 14 -10.598 -4.171 -9.613 103 HA LYS 14 HA LYS 14 -10.330 -1.358 -9.047 104 HB2 LYS 14 2HB LYS 14 -10.920 -2.807 -11.635 105 HB3 LYS 14 3HB LYS 14 -10.565 -1.090 -11.497 106 HG2 LYS 14 2HG LYS 14 -8.336 -1.517 -10.809 107 HG3 LYS 14 3HG LYS 14 -8.664 -3.238 -10.599 108 HD2 LYS 14 2HD LYS 14 -7.780 -3.426 -12.658 109 HD3 LYS 14 3HD LYS 14 -9.368 -2.877 -13.199 110 HE2 LYS 14 2HE LYS 14 -7.258 -0.880 -12.499 111 HE3 LYS 14 3HE LYS 14 -7.209 -1.694 -14.062 112 HZ1 LYS 14 3HZ LYS 14 -9.433 -0.889 -14.521 113 HZ2 LYS 14 1HZ LYS 14 -8.402 0.408 -14.177 114 HZ3 LYS 14 2HZ LYS 14 -9.504 -0.128 -13.011 115 H LYS 15 H LYS 15 -12.043 -0.470 -8.040 116 HA LYS 15 HA LYS 15 -14.751 -1.186 -8.735 117 HB2 LYS 15 2HB LYS 15 -13.581 0.833 -6.822 118 HB3 LYS 15 3HB LYS 15 -15.312 0.651 -7.075 119 HG2 LYS 15 2HG LYS 15 -15.398 -1.370 -6.011 120 HG3 LYS 15 3HG LYS 15 -13.716 -1.760 -6.379 121 HD2 LYS 15 2HD LYS 15 -13.339 0.382 -4.811 122 HD3 LYS 15 3HD LYS 15 -14.865 -0.200 -4.141 123 HE2 LYS 15 2HE LYS 15 -13.899 -2.372 -3.721 124 HE3 LYS 15 3HE LYS 15 -12.400 -1.897 -4.520 125 HZ1 LYS 15 3HZ LYS 15 -11.993 -0.291 -2.798 126 HZ2 LYS 15 1HZ LYS 15 -12.260 -1.802 -2.085 127 HZ3 LYS 15 2HZ LYS 15 -13.478 -0.628 -2.061 128 H ARG 16 H ARG 16 -13.471 2.098 -8.352 129 HA ARG 16 HA ARG 16 -15.165 3.041 -10.486 130 HB2 ARG 16 2HB ARG 16 -14.898 4.431 -8.525 131 HB3 ARG 16 3HB ARG 16 -13.152 4.453 -8.731 132 HG2 ARG 16 2HG ARG 16 -14.065 6.545 -9.467 133 HG3 ARG 16 3HG ARG 16 -13.453 5.657 -10.865 134 HD2 ARG 16 2HD ARG 16 -15.531 5.316 -11.730 135 HD3 ARG 16 3HD ARG 16 -16.300 5.264 -10.145 136 HE ARG 16 HE ARG 16 -16.020 7.538 -11.829 137 HH11 ARG 16 1HH1 ARG 16 -16.078 6.539 -8.494 138 HH12 ARG 16 2HH1 ARG 16 -16.636 8.071 -7.909 139 HH21 ARG 16 1HH2 ARG 16 -16.754 9.560 -11.071 140 HH22 ARG 16 2HH2 ARG 16 -17.021 9.789 -9.375 141 H ILE 17 H ILE 17 -11.718 2.528 -9.955 142 HA ILE 17 HA ILE 17 -10.716 3.793 -12.228 143 HB ILE 17 HB ILE 17 -8.852 2.034 -12.057 144 HG12 ILE 17 2HG1 ILE 17 -10.716 0.672 -10.572 145 HG13 ILE 17 3HG1 ILE 17 -8.984 0.356 -10.556 146 HG21 ILE 17 1HG2 ILE 17 -8.006 3.059 -9.935 147 HG22 ILE 17 2HG2 ILE 17 -8.550 4.216 -11.148 148 HG23 ILE 17 3HG2 ILE 17 -9.575 3.844 -9.762 149 HD11 ILE 17 3HD1 ILE 17 -10.064 0.568 -8.312 150 HD12 ILE 17 1HD1 ILE 17 -8.687 1.635 -8.585 151 HD13 ILE 17 2HD1 ILE 17 -10.329 2.273 -8.676 152 H SER 18 H SER 18 -12.133 0.602 -11.822 153 HA SER 18 HA SER 18 -11.389 -0.539 -14.260 154 HB2 SER 18 2HB SER 18 -12.344 -2.085 -12.833 155 HB3 SER 18 3HB SER 18 -13.628 -0.986 -12.329 156 HG SER 18 HG SER 18 -14.783 -1.503 -14.066 157 H VAL 19 H VAL 19 -14.594 0.836 -13.500 158 HA VAL 19 HA VAL 19 -15.455 0.962 -16.172 159 HB VAL 19 HB VAL 19 -17.055 1.026 -14.356 160 HG11 VAL 19 1HG1 VAL 19 -15.610 2.315 -12.788 161 HG12 VAL 19 2HG1 VAL 19 -16.017 3.776 -13.690 162 HG13 VAL 19 3HG1 VAL 19 -17.280 2.876 -12.850 163 HG21 VAL 19 3HG2 VAL 19 -18.506 2.208 -15.576 164 HG22 VAL 19 1HG2 VAL 19 -17.611 3.708 -15.333 165 HG23 VAL 19 2HG2 VAL 19 -17.139 2.598 -16.620 166 H LYS 20 H LYS 20 -13.887 3.351 -14.093 167 HA LYS 20 HA LYS 20 -14.107 5.563 -15.804 168 HB2 LYS 20 2HB LYS 20 -13.472 5.875 -13.505 169 HB3 LYS 20 3HB LYS 20 -12.041 4.874 -13.711 170 HG2 LYS 20 2HG LYS 20 -12.207 7.198 -15.500 171 HG3 LYS 20 3HG LYS 20 -12.041 7.571 -13.783 172 HD2 LYS 20 2HD LYS 20 -10.270 5.475 -14.919 173 HD3 LYS 20 3HD LYS 20 -9.937 7.153 -15.354 174 HE2 LYS 20 2HE LYS 20 -10.370 6.372 -12.495 175 HE3 LYS 20 3HE LYS 20 -8.800 6.134 -13.260 176 HZ1 LYS 20 3HZ LYS 20 -10.226 8.735 -13.169 177 HZ2 LYS 20 1HZ LYS 20 -8.649 8.459 -13.714 178 HZ3 LYS 20 2HZ LYS 20 -9.021 8.275 -12.075 179 H LYS 21 H LYS 21 -12.122 2.763 -15.962 180 HA LYS 21 HA LYS 21 -10.116 3.934 -17.675 181 HB2 LYS 21 2HB LYS 21 -9.552 2.085 -16.155 182 HB3 LYS 21 3HB LYS 21 -10.681 1.039 -17.006 183 HG2 LYS 21 2HG LYS 21 -8.697 2.283 -18.749 184 HG3 LYS 21 3HG LYS 21 -8.005 1.234 -17.509 185 HD2 LYS 21 2HD LYS 21 -8.958 -0.646 -18.375 186 HD3 LYS 21 3HD LYS 21 -10.367 0.220 -18.992 187 HE2 LYS 21 2HE LYS 21 -9.171 1.015 -20.871 188 HE3 LYS 21 3HE LYS 21 -7.622 0.538 -20.179 189 HZ1 LYS 21 3HZ LYS 21 -9.026 -0.915 -21.956 190 HZ2 LYS 21 1HZ LYS 21 -9.491 -1.633 -20.497 191 HZ3 LYS 21 2HZ LYS 21 -7.854 -1.546 -20.912 192 H LYS 22 H LYS 22 -12.647 1.459 -18.106 193 HA LYS 22 HA LYS 22 -12.362 1.230 -20.893 194 HB2 LYS 22 2HB LYS 22 -14.707 0.279 -20.782 195 HB3 LYS 22 3HB LYS 22 -13.512 -0.507 -19.759 196 HG2 LYS 22 2HG LYS 22 -14.356 0.616 -17.813 197 HG3 LYS 22 3HG LYS 22 -15.459 1.578 -18.799 198 HD2 LYS 22 2HD LYS 22 -16.221 -0.873 -19.563 199 HD3 LYS 22 3HD LYS 22 -15.648 -1.247 -17.935 200 HE2 LYS 22 2HE LYS 22 -17.298 -0.042 -16.932 201 HE3 LYS 22 3HE LYS 22 -17.394 1.127 -18.247 202 HZ1 LYS 22 3HZ LYS 22 -18.213 -1.344 -19.246 203 HZ2 LYS 22 1HZ LYS 22 -19.149 0.046 -19.010 204 HZ3 LYS 22 2HZ LYS 22 -19.023 -1.108 -17.780 205 H GLN 23 H GLN 23 -14.430 3.294 -18.904 206 HA GLN 23 HA GLN 23 -15.923 4.399 -21.035 207 HB2 GLN 23 2HB GLN 23 -16.774 5.937 -19.461 208 HB3 GLN 23 3HB GLN 23 -16.477 4.462 -18.551 209 HG2 GLN 23 2HG GLN 23 -14.410 5.384 -17.682 210 HG3 GLN 23 3HG GLN 23 -14.644 6.847 -18.638 211 HE21 GLN 23 1HE2 GLN 23 -16.869 4.926 -16.660 212 HE22 GLN 23 2HE2 GLN 23 -17.339 6.223 -15.621 213 H GLU 24 H GLU 24 -15.844 6.997 -21.148 214 HA GLU 24 HA GLU 24 -13.562 7.611 -22.663 215 HB2 GLU 24 2HB GLU 24 -14.430 9.881 -22.751 216 HB3 GLU 24 3HB GLU 24 -15.737 8.726 -22.963 217 HG2 GLU 24 2HG GLU 24 -16.296 9.010 -20.558 218 HG3 GLU 24 3HG GLU 24 -15.082 10.286 -20.477 219 H GLN 25 H GLN 25 -11.615 8.378 -22.141 220 HA GLN 25 HA GLN 25 -10.711 8.472 -19.495 221 HB2 GLN 25 2HB GLN 25 -8.703 9.654 -20.506 222 HB3 GLN 25 3HB GLN 25 -9.099 8.078 -21.179 223 HG2 GLN 25 2HG GLN 25 -9.965 9.009 -23.145 224 HG3 GLN 25 3HG GLN 25 -10.067 10.620 -22.436 225 HE21 GLN 25 1HE2 GLN 25 -7.686 8.103 -23.187 226 HE22 GLN 25 2HE2 GLN 25 -6.441 9.189 -23.693 227 HA PRO 26 HA PRO 26 -11.723 12.472 -18.005 228 HB2 PRO 26 2HB PRO 26 -9.543 13.058 -16.496 229 HB3 PRO 26 3HB PRO 26 -10.747 11.855 -16.018 230 HG2 PRO 26 2HG PRO 26 -8.074 11.453 -17.305 231 HG3 PRO 26 3HG PRO 26 -8.826 10.544 -15.981 232 HD2 PRO 26 2HD PRO 26 -8.802 9.646 -18.535 233 HD3 PRO 26 3HD PRO 26 -10.132 9.295 -17.413 Start of MODEL 18 1 H1 VAL 1 H VAL 1 2.026 -0.441 1.269 2 HA VAL 1 HA VAL 1 2.202 0.054 -1.543 3 HB VAL 1 HB VAL 1 4.152 -1.449 0.206 4 HG11 VAL 1 1HG1 VAL 1 4.092 -0.821 -2.597 5 HG12 VAL 1 2HG1 VAL 1 5.467 -0.034 -1.821 6 HG13 VAL 1 3HG1 VAL 1 5.260 -1.781 -1.691 7 HG21 VAL 1 3HG2 VAL 1 5.315 0.898 0.040 8 HG22 VAL 1 1HG2 VAL 1 3.661 1.463 -0.198 9 HG23 VAL 1 2HG2 VAL 1 4.091 0.586 1.271 10 H SER 2 H SER 2 1.472 -2.696 0.437 11 HA SER 2 HA SER 2 1.969 -4.644 -1.625 12 HB2 SER 2 2HB SER 2 1.349 -6.267 -0.052 13 HB3 SER 2 3HB SER 2 2.049 -4.992 0.945 14 HG SER 2 HG SER 2 0.210 -5.021 1.947 15 H VAL 3 H VAL 3 -0.606 -2.572 -0.739 16 HA VAL 3 HA VAL 3 -2.697 -4.163 -1.937 17 HB VAL 3 HB VAL 3 -2.808 -1.256 -1.129 18 HG11 VAL 3 1HG1 VAL 3 -4.881 -3.320 -1.803 19 HG12 VAL 3 2HG1 VAL 3 -5.268 -1.893 -0.840 20 HG13 VAL 3 3HG1 VAL 3 -4.662 -1.709 -2.487 21 HG21 VAL 3 3HG2 VAL 3 -4.124 -2.673 0.816 22 HG22 VAL 3 1HG2 VAL 3 -2.727 -3.694 0.474 23 HG23 VAL 3 2HG2 VAL 3 -2.495 -2.013 0.955 24 H ASP 4 H ASP 4 -0.417 -1.800 -2.964 25 HA ASP 4 HA ASP 4 -1.751 -0.666 -5.146 26 HB2 ASP 4 2HB ASP 4 0.872 -0.620 -4.067 27 HB3 ASP 4 3HB ASP 4 1.021 -1.009 -5.778 28 HA PRO 5 HA PRO 5 0.180 -4.216 -7.819 29 HB2 PRO 5 2HB PRO 5 1.093 -6.391 -6.475 30 HB3 PRO 5 3HB PRO 5 2.114 -5.001 -6.860 31 HG2 PRO 5 2HG PRO 5 0.724 -5.677 -4.296 32 HG3 PRO 5 3HG PRO 5 2.368 -5.063 -4.549 33 HD2 PRO 5 2HD PRO 5 0.316 -3.466 -3.792 34 HD3 PRO 5 3HD PRO 5 1.650 -2.888 -4.811 35 H PHE 6 H PHE 6 -1.461 -5.131 -4.828 36 HA PHE 6 HA PHE 6 -2.755 -7.435 -5.748 37 HB2 PHE 6 2HB PHE 6 -2.589 -6.505 -3.352 38 HB3 PHE 6 3HB PHE 6 -3.993 -5.530 -3.774 39 HD1 PHE 6 HD2 PHE 6 -6.147 -6.596 -4.252 40 HD2 PHE 6 HD1 PHE 6 -2.774 -8.852 -2.967 41 HE1 PHE 6 HE2 PHE 6 -7.625 -8.482 -3.694 42 HE2 PHE 6 HE1 PHE 6 -4.246 -10.742 -2.408 43 HZ PHE 6 HZ PHE 6 -6.675 -10.558 -2.770 44 H TYR 7 H TYR 7 -3.979 -4.093 -5.568 45 HA TYR 7 HA TYR 7 -6.369 -4.738 -7.014 46 HB2 TYR 7 2HB TYR 7 -7.079 -2.687 -6.385 47 HB3 TYR 7 3HB TYR 7 -5.679 -2.719 -5.320 48 HD1 TYR 7 HD2 TYR 7 -3.643 -1.470 -5.907 49 HD2 TYR 7 HD1 TYR 7 -7.146 -1.250 -8.311 50 HE1 TYR 7 HE2 TYR 7 -2.753 0.540 -7.010 51 HE2 TYR 7 HE1 TYR 7 -6.266 0.760 -9.422 52 HH TYR 7 HH TYR 7 -3.105 1.696 -9.290 53 H GLU 8 H GLU 8 -3.170 -3.998 -7.885 54 HA GLU 8 HA GLU 8 -3.779 -2.803 -10.435 55 HB2 GLU 8 2HB GLU 8 -1.326 -3.538 -8.938 56 HB3 GLU 8 3HB GLU 8 -1.196 -3.507 -10.691 57 HG2 GLU 8 2HG GLU 8 -2.283 -1.211 -9.089 58 HG3 GLU 8 3HG GLU 8 -0.577 -1.385 -9.496 59 H MET 9 H MET 9 -2.802 -5.980 -9.243 60 HA MET 9 HA MET 9 -2.658 -7.117 -11.886 61 HB2 MET 9 2HB MET 9 -2.278 -9.243 -10.708 62 HB3 MET 9 3HB MET 9 -1.209 -7.974 -10.127 63 HG2 MET 9 2HG MET 9 -3.125 -7.660 -8.343 64 HG3 MET 9 3HG MET 9 -3.456 -9.341 -8.757 65 HE1 MET 9 3HE MET 9 -0.847 -10.968 -9.036 66 HE2 MET 9 1HE MET 9 -0.651 -11.347 -7.324 67 HE3 MET 9 2HE MET 9 -2.265 -11.267 -8.030 68 H LEU 10 H LEU 10 -4.928 -7.172 -9.178 69 HA LEU 10 HA LEU 10 -6.738 -8.982 -10.480 70 HB2 LEU 10 2HB LEU 10 -6.608 -7.527 -7.924 71 HB3 LEU 10 3HB LEU 10 -8.231 -7.830 -8.539 72 HG LEU 10 HG LEU 10 -7.628 -9.568 -6.992 73 HD11 LEU 10 1HD1 LEU 10 -8.625 -9.995 -9.471 74 HD12 LEU 10 2HD1 LEU 10 -8.488 -11.236 -8.226 75 HD13 LEU 10 3HD1 LEU 10 -7.248 -11.096 -9.471 76 HD21 LEU 10 3HD2 LEU 10 -5.708 -10.979 -7.263 77 HD22 LEU 10 1HD2 LEU 10 -5.169 -9.300 -7.244 78 HD23 LEU 10 2HD2 LEU 10 -5.271 -10.176 -8.772 79 H ALA 11 H ALA 11 -8.375 -8.520 -11.812 80 HA ALA 11 HA ALA 11 -8.724 -5.807 -12.721 81 HB1 ALA 11 1HB ALA 11 -10.189 -8.312 -13.541 82 HB2 ALA 11 2HB ALA 11 -10.223 -6.760 -14.378 83 HB3 ALA 11 3HB ALA 11 -8.724 -7.687 -14.298 84 H ALA 12 H ALA 12 -10.609 -8.185 -10.914 85 HA ALA 12 HA ALA 12 -12.998 -6.661 -10.790 86 HB1 ALA 12 1HB ALA 12 -12.717 -8.390 -8.518 87 HB2 ALA 12 2HB ALA 12 -13.792 -8.536 -9.908 88 HB3 ALA 12 3HB ALA 12 -12.165 -9.213 -9.977 89 H ARG 13 H ARG 13 -10.008 -6.464 -9.119 90 HA ARG 13 HA ARG 13 -10.975 -5.224 -6.737 91 HB2 ARG 13 2HB ARG 13 -8.398 -5.968 -7.871 92 HB3 ARG 13 3HB ARG 13 -8.336 -4.416 -7.047 93 HG2 ARG 13 2HG ARG 13 -9.303 -7.008 -5.859 94 HG3 ARG 13 3HG ARG 13 -7.746 -6.237 -5.551 95 HD2 ARG 13 2HD ARG 13 -9.153 -4.204 -4.817 96 HD3 ARG 13 3HD ARG 13 -10.488 -5.352 -4.726 97 HE ARG 13 HE ARG 13 -9.526 -6.291 -2.856 98 HH11 ARG 13 1HH1 ARG 13 -7.294 -4.080 -4.357 99 HH12 ARG 13 2HH1 ARG 13 -6.181 -4.098 -3.030 100 HH21 ARG 13 1HH2 ARG 13 -8.067 -6.322 -1.102 101 HH22 ARG 13 2HH2 ARG 13 -6.621 -5.374 -1.179 102 H LYS 14 H LYS 14 -10.369 -4.143 -9.931 103 HA LYS 14 HA LYS 14 -9.922 -1.382 -9.280 104 HB2 LYS 14 2HB LYS 14 -10.673 -2.689 -11.902 105 HB3 LYS 14 3HB LYS 14 -10.176 -1.013 -11.711 106 HG2 LYS 14 2HG LYS 14 -7.978 -1.661 -11.055 107 HG3 LYS 14 3HG LYS 14 -8.450 -3.359 -10.960 108 HD2 LYS 14 2HD LYS 14 -8.563 -3.587 -13.269 109 HD3 LYS 14 3HD LYS 14 -8.740 -1.850 -13.530 110 HE2 LYS 14 2HE LYS 14 -6.444 -1.467 -12.991 111 HE3 LYS 14 3HE LYS 14 -6.236 -3.131 -12.449 112 HZ1 LYS 14 3HZ LYS 14 -6.015 -2.060 -15.070 113 HZ2 LYS 14 1HZ LYS 14 -7.155 -3.310 -15.035 114 HZ3 LYS 14 2HZ LYS 14 -5.575 -3.590 -14.500 115 H LYS 15 H LYS 15 -11.565 -0.467 -8.160 116 HA LYS 15 HA LYS 15 -14.323 -0.924 -8.874 117 HB2 LYS 15 2HB LYS 15 -12.990 0.857 -6.835 118 HB3 LYS 15 3HB LYS 15 -14.731 0.829 -7.083 119 HG2 LYS 15 2HG LYS 15 -14.938 -1.339 -6.270 120 HG3 LYS 15 3HG LYS 15 -13.223 -1.689 -6.496 121 HD2 LYS 15 2HD LYS 15 -13.674 -1.405 -4.144 122 HD3 LYS 15 3HD LYS 15 -12.698 -0.049 -4.715 123 HE2 LYS 15 2HE LYS 15 -14.576 1.402 -4.737 124 HE3 LYS 15 3HE LYS 15 -15.699 0.062 -4.509 125 HZ1 LYS 15 3HZ LYS 15 -13.737 0.253 -2.424 126 HZ2 LYS 15 1HZ LYS 15 -15.421 0.125 -2.314 127 HZ3 LYS 15 2HZ LYS 15 -14.701 1.639 -2.541 128 H ARG 16 H ARG 16 -12.762 2.209 -8.293 129 HA ARG 16 HA ARG 16 -14.408 3.440 -10.316 130 HB2 ARG 16 2HB ARG 16 -13.103 4.310 -7.992 131 HB3 ARG 16 3HB ARG 16 -12.290 5.136 -9.315 132 HG2 ARG 16 2HG ARG 16 -14.825 5.555 -10.048 133 HG3 ARG 16 3HG ARG 16 -15.048 5.425 -8.302 134 HD2 ARG 16 2HD ARG 16 -12.962 7.054 -8.285 135 HD3 ARG 16 3HD ARG 16 -13.568 7.457 -9.890 136 HE ARG 16 HE ARG 16 -15.266 8.608 -8.895 137 HH11 ARG 16 1HH1 ARG 16 -13.961 6.344 -6.594 138 HH12 ARG 16 2HH1 ARG 16 -14.938 6.915 -5.282 139 HH21 ARG 16 1HH2 ARG 16 -16.557 9.369 -7.176 140 HH22 ARG 16 2HH2 ARG 16 -16.415 8.635 -5.614 141 H ILE 17 H ILE 17 -11.010 2.596 -9.906 142 HA ILE 17 HA ILE 17 -9.942 3.924 -12.111 143 HB ILE 17 HB ILE 17 -8.242 1.997 -12.108 144 HG12 ILE 17 2HG1 ILE 17 -10.192 0.710 -10.667 145 HG13 ILE 17 3HG1 ILE 17 -8.496 0.240 -10.718 146 HG21 ILE 17 1HG2 ILE 17 -8.752 3.704 -9.681 147 HG22 ILE 17 2HG2 ILE 17 -7.265 2.795 -9.946 148 HG23 ILE 17 3HG2 ILE 17 -7.725 4.077 -11.066 149 HD11 ILE 17 3HD1 ILE 17 -9.510 0.397 -8.437 150 HD12 ILE 17 1HD1 ILE 17 -8.043 1.346 -8.675 151 HD13 ILE 17 2HD1 ILE 17 -9.619 2.140 -8.682 152 H SER 18 H SER 18 -11.606 0.832 -11.889 153 HA SER 18 HA SER 18 -11.020 -0.162 -14.438 154 HB2 SER 18 2HB SER 18 -12.014 -1.729 -13.033 155 HB3 SER 18 3HB SER 18 -13.261 -0.604 -12.492 156 HG SER 18 HG SER 18 -13.103 -1.581 -15.147 157 H VAL 19 H VAL 19 -14.081 1.371 -13.426 158 HA VAL 19 HA VAL 19 -15.085 1.737 -16.013 159 HB VAL 19 HB VAL 19 -16.549 1.872 -14.093 160 HG11 VAL 19 1HG1 VAL 19 -16.484 3.672 -12.500 161 HG12 VAL 19 2HG1 VAL 19 -14.893 2.909 -12.560 162 HG13 VAL 19 3HG1 VAL 19 -15.165 4.451 -13.372 163 HG21 VAL 19 3HG2 VAL 19 -16.876 4.648 -14.905 164 HG22 VAL 19 1HG2 VAL 19 -16.619 3.558 -16.268 165 HG23 VAL 19 2HG2 VAL 19 -17.945 3.266 -15.143 166 H LYS 20 H LYS 20 -13.119 3.840 -13.969 167 HA LYS 20 HA LYS 20 -13.240 6.163 -15.525 168 HB2 LYS 20 2HB LYS 20 -12.335 6.144 -13.255 169 HB3 LYS 20 3HB LYS 20 -10.988 5.143 -13.783 170 HG2 LYS 20 2HG LYS 20 -10.131 7.318 -13.637 171 HG3 LYS 20 3HG LYS 20 -10.387 7.035 -15.361 172 HD2 LYS 20 2HD LYS 20 -11.298 9.134 -15.114 173 HD3 LYS 20 3HD LYS 20 -12.723 8.118 -14.885 174 HE2 LYS 20 2HE LYS 20 -11.093 8.837 -12.501 175 HE3 LYS 20 3HE LYS 20 -12.130 10.074 -13.210 176 HZ1 LYS 20 3HZ LYS 20 -13.884 8.162 -13.097 177 HZ2 LYS 20 1HZ LYS 20 -13.554 9.108 -11.734 178 HZ3 LYS 20 2HZ LYS 20 -12.870 7.569 -11.880 179 H LYS 21 H LYS 21 -11.120 3.347 -15.723 180 HA LYS 21 HA LYS 21 -9.495 4.447 -17.814 181 HB2 LYS 21 2HB LYS 21 -9.655 1.905 -16.319 182 HB3 LYS 21 3HB LYS 21 -9.036 1.776 -17.961 183 HG2 LYS 21 2HG LYS 21 -7.186 2.047 -16.487 184 HG3 LYS 21 3HG LYS 21 -7.375 3.544 -17.404 185 HD2 LYS 21 2HD LYS 21 -8.757 4.365 -15.407 186 HD3 LYS 21 3HD LYS 21 -8.064 2.998 -14.531 187 HE2 LYS 21 2HE LYS 21 -6.261 4.845 -16.029 188 HE3 LYS 21 3HE LYS 21 -6.912 5.352 -14.471 189 HZ1 LYS 21 3HZ LYS 21 -5.847 2.685 -14.443 190 HZ2 LYS 21 1HZ LYS 21 -5.558 3.975 -13.388 191 HZ3 LYS 21 2HZ LYS 21 -4.686 3.852 -14.832 192 H LYS 22 H LYS 22 -12.022 1.945 -17.680 193 HA LYS 22 HA LYS 22 -12.065 1.347 -20.415 194 HB2 LYS 22 2HB LYS 22 -13.863 0.023 -19.938 195 HB3 LYS 22 3HB LYS 22 -13.271 0.268 -18.300 196 HG2 LYS 22 2HG LYS 22 -14.885 2.133 -18.049 197 HG3 LYS 22 3HG LYS 22 -15.530 1.736 -19.644 198 HD2 LYS 22 2HD LYS 22 -15.381 -0.255 -17.389 199 HD3 LYS 22 3HD LYS 22 -16.785 0.776 -17.671 200 HE2 LYS 22 2HE LYS 22 -17.341 -0.291 -19.634 201 HE3 LYS 22 3HE LYS 22 -15.692 -0.839 -19.927 202 HZ1 LYS 22 3HZ LYS 22 -17.237 -1.886 -17.644 203 HZ2 LYS 22 1HZ LYS 22 -15.919 -2.582 -18.445 204 HZ3 LYS 22 2HZ LYS 22 -17.437 -2.543 -19.190 205 H GLN 23 H GLN 23 -13.265 4.064 -18.678 206 HA GLN 23 HA GLN 23 -15.330 4.915 -20.363 207 HB2 GLN 23 2HB GLN 23 -13.536 6.228 -18.387 208 HB3 GLN 23 3HB GLN 23 -14.420 7.269 -19.496 209 HG2 GLN 23 2HG GLN 23 -16.017 5.179 -18.186 210 HG3 GLN 23 3HG GLN 23 -15.365 6.421 -17.119 211 HE21 GLN 23 1HE2 GLN 23 -17.816 6.651 -16.957 212 HE22 GLN 23 2HE2 GLN 23 -18.539 7.807 -18.016 213 H GLU 24 H GLU 24 -15.305 5.524 -22.416 214 HA GLU 24 HA GLU 24 -12.980 5.729 -23.962 215 HB2 GLU 24 2HB GLU 24 -15.257 5.232 -24.842 216 HB3 GLU 24 3HB GLU 24 -15.690 6.916 -24.582 217 HG2 GLU 24 2HG GLU 24 -15.144 6.537 -26.901 218 HG3 GLU 24 3HG GLU 24 -13.951 7.603 -26.160 219 H GLN 25 H GLN 25 -15.115 8.285 -22.709 220 HA GLN 25 HA GLN 25 -13.385 10.378 -23.656 221 HB2 GLN 25 2HB GLN 25 -15.952 10.239 -22.149 222 HB3 GLN 25 3HB GLN 25 -14.999 11.711 -22.018 223 HG2 GLN 25 2HG GLN 25 -16.066 10.478 -24.547 224 HG3 GLN 25 3HG GLN 25 -16.645 11.944 -23.758 225 HE21 GLN 25 1HE2 GLN 25 -15.501 13.835 -23.971 226 HE22 GLN 25 2HE2 GLN 25 -14.202 14.027 -25.093 227 HA PRO 26 HA PRO 26 -10.735 10.920 -20.204 228 HB2 PRO 26 2HB PRO 26 -10.582 13.623 -19.997 229 HB3 PRO 26 3HB PRO 26 -9.818 12.714 -21.307 230 HG2 PRO 26 2HG PRO 26 -12.411 14.211 -21.301 231 HG3 PRO 26 3HG PRO 26 -11.146 14.169 -22.543 232 HD2 PRO 26 2HD PRO 26 -13.420 12.711 -22.730 233 HD3 PRO 26 3HD PRO 26 -11.870 12.152 -23.392 Start of MODEL 19 1 H1 VAL 1 H VAL 1 2.982 -0.753 0.521 2 HA VAL 1 HA VAL 1 2.856 -0.157 -2.212 3 HB VAL 1 HB VAL 1 5.101 -1.116 -2.384 4 HG11 VAL 1 1HG1 VAL 1 4.400 1.086 -1.008 5 HG12 VAL 1 2HG1 VAL 1 5.268 0.203 0.249 6 HG13 VAL 1 3HG1 VAL 1 6.072 0.593 -1.272 7 HG21 VAL 1 3HG2 VAL 1 4.412 -2.268 0.298 8 HG22 VAL 1 1HG2 VAL 1 5.057 -3.081 -1.127 9 HG23 VAL 1 2HG2 VAL 1 6.088 -2.006 -0.182 10 H SER 2 H SER 2 2.346 -3.133 -0.476 11 HA SER 2 HA SER 2 2.506 -4.805 -2.818 12 HB2 SER 2 2HB SER 2 2.993 -5.494 -0.380 13 HB3 SER 2 3HB SER 2 1.241 -5.602 -0.202 14 HG SER 2 HG SER 2 2.962 -7.318 -1.407 15 H VAL 3 H VAL 3 0.125 -2.869 -1.313 16 HA VAL 3 HA VAL 3 -2.147 -4.321 -2.347 17 HB VAL 3 HB VAL 3 -2.060 -1.535 -1.181 18 HG11 VAL 3 1HG1 VAL 3 -4.067 -1.972 -2.486 19 HG12 VAL 3 2HG1 VAL 3 -4.349 -3.460 -1.581 20 HG13 VAL 3 3HG1 VAL 3 -4.450 -1.898 -0.766 21 HG21 VAL 3 3HG2 VAL 3 -1.838 -4.156 0.059 22 HG22 VAL 3 1HG2 VAL 3 -1.550 -2.554 0.738 23 HG23 VAL 3 2HG2 VAL 3 -3.185 -3.214 0.697 24 H ASP 4 H ASP 4 -0.033 -1.820 -3.425 25 HA ASP 4 HA ASP 4 -1.675 -0.474 -5.246 26 HB2 ASP 4 2HB ASP 4 1.080 -0.506 -4.566 27 HB3 ASP 4 3HB ASP 4 0.972 -0.690 -6.314 28 HA PRO 5 HA PRO 5 -0.152 -3.675 -8.551 29 HB2 PRO 5 2HB PRO 5 0.929 -5.977 -7.601 30 HB3 PRO 5 3HB PRO 5 1.894 -4.541 -7.967 31 HG2 PRO 5 2HG PRO 5 0.874 -5.516 -5.327 32 HG3 PRO 5 3HG PRO 5 2.469 -4.859 -5.737 33 HD2 PRO 5 2HD PRO 5 0.553 -3.380 -4.524 34 HD3 PRO 5 3HD PRO 5 1.733 -2.677 -5.649 35 H PHE 6 H PHE 6 -1.395 -4.892 -5.485 36 HA PHE 6 HA PHE 6 -2.797 -7.116 -6.442 37 HB2 PHE 6 2HB PHE 6 -2.346 -6.511 -4.023 38 HB3 PHE 6 3HB PHE 6 -3.678 -5.367 -4.144 39 HD1 PHE 6 HD2 PHE 6 -2.775 -8.935 -4.240 40 HD2 PHE 6 HD1 PHE 6 -5.934 -6.088 -4.070 41 HE1 PHE 6 HE2 PHE 6 -4.362 -10.734 -3.696 42 HE2 PHE 6 HE1 PHE 6 -7.526 -7.883 -3.524 43 HZ PHE 6 HZ PHE 6 -6.742 -10.209 -3.338 44 H TYR 7 H TYR 7 -4.049 -3.854 -5.724 45 HA TYR 7 HA TYR 7 -6.575 -4.381 -6.948 46 HB2 TYR 7 2HB TYR 7 -7.204 -2.440 -5.995 47 HB3 TYR 7 3HB TYR 7 -5.643 -2.497 -5.184 48 HD1 TYR 7 HD2 TYR 7 -3.777 -1.115 -5.984 49 HD2 TYR 7 HD1 TYR 7 -7.633 -0.867 -7.765 50 HE1 TYR 7 HE2 TYR 7 -3.144 1.012 -7.045 51 HE2 TYR 7 HE1 TYR 7 -7.010 1.260 -8.832 52 HH TYR 7 HH TYR 7 -5.454 3.031 -8.638 53 H GLU 8 H GLU 8 -3.512 -3.480 -8.127 54 HA GLU 8 HA GLU 8 -4.449 -2.071 -10.458 55 HB2 GLU 8 2HB GLU 8 -1.817 -2.896 -9.360 56 HB3 GLU 8 3HB GLU 8 -1.913 -2.674 -11.101 57 HG2 GLU 8 2HG GLU 8 -3.057 -0.531 -9.419 58 HG3 GLU 8 3HG GLU 8 -1.303 -0.708 -9.411 59 H MET 9 H MET 9 -3.234 -5.313 -9.729 60 HA MET 9 HA MET 9 -3.460 -6.185 -12.466 61 HB2 MET 9 2HB MET 9 -2.776 -8.360 -11.629 62 HB3 MET 9 3HB MET 9 -1.741 -7.108 -10.956 63 HG2 MET 9 2HG MET 9 -3.399 -7.187 -8.957 64 HG3 MET 9 3HG MET 9 -3.823 -8.766 -9.614 65 HE1 MET 9 3HE MET 9 -2.338 -10.476 -7.288 66 HE2 MET 9 1HE MET 9 -3.176 -10.526 -8.839 67 HE3 MET 9 2HE MET 9 -1.519 -11.116 -8.713 68 H LEU 10 H LEU 10 -5.290 -6.591 -9.471 69 HA LEU 10 HA LEU 10 -7.235 -8.325 -10.702 70 HB2 LEU 10 2HB LEU 10 -6.959 -7.037 -8.011 71 HB3 LEU 10 3HB LEU 10 -8.460 -7.832 -8.483 72 HG LEU 10 HG LEU 10 -5.784 -9.217 -8.451 73 HD11 LEU 10 1HD1 LEU 10 -7.876 -8.953 -6.312 74 HD12 LEU 10 2HD1 LEU 10 -6.146 -8.632 -6.203 75 HD13 LEU 10 3HD1 LEU 10 -6.726 -10.290 -6.355 76 HD21 LEU 10 3HD2 LEU 10 -8.633 -10.125 -8.762 77 HD22 LEU 10 1HD2 LEU 10 -7.328 -11.225 -8.316 78 HD23 LEU 10 2HD2 LEU 10 -7.274 -10.375 -9.860 79 H ALA 11 H ALA 11 -8.917 -7.687 -11.865 80 HA ALA 11 HA ALA 11 -9.546 -4.895 -12.144 81 HB1 ALA 11 1HB ALA 11 -11.116 -7.184 -13.298 82 HB2 ALA 11 2HB ALA 11 -10.972 -5.534 -13.906 83 HB3 ALA 11 3HB ALA 11 -9.594 -6.630 -13.995 84 H ALA 12 H ALA 12 -10.599 -7.424 -10.126 85 HA ALA 12 HA ALA 12 -13.297 -6.640 -9.732 86 HB1 ALA 12 1HB ALA 12 -12.277 -8.868 -9.139 87 HB2 ALA 12 2HB ALA 12 -11.572 -8.077 -7.729 88 HB3 ALA 12 3HB ALA 12 -13.325 -8.155 -7.913 89 H ARG 13 H ARG 13 -10.353 -6.061 -7.807 90 HA ARG 13 HA ARG 13 -11.540 -4.465 -5.842 91 HB2 ARG 13 2HB ARG 13 -8.972 -5.385 -6.418 92 HB3 ARG 13 3HB ARG 13 -8.828 -3.633 -6.461 93 HG2 ARG 13 2HG ARG 13 -8.755 -3.585 -4.254 94 HG3 ARG 13 3HG ARG 13 -10.362 -4.311 -4.181 95 HD2 ARG 13 2HD ARG 13 -9.448 -6.513 -4.160 96 HD3 ARG 13 3HD ARG 13 -7.833 -5.908 -4.524 97 HE ARG 13 HE ARG 13 -9.020 -6.126 -1.960 98 HH11 ARG 13 1HH1 ARG 13 -6.920 -4.101 -3.861 99 HH12 ARG 13 2HH1 ARG 13 -6.064 -3.478 -2.489 100 HH21 ARG 13 1HH2 ARG 13 -7.900 -5.313 -0.147 101 HH22 ARG 13 2HH2 ARG 13 -6.622 -4.169 -0.377 102 H LYS 14 H LYS 14 -10.771 -3.783 -9.115 103 HA LYS 14 HA LYS 14 -10.537 -0.948 -8.884 104 HB2 LYS 14 2HB LYS 14 -11.170 -2.702 -11.264 105 HB3 LYS 14 3HB LYS 14 -10.846 -0.975 -11.357 106 HG2 LYS 14 2HG LYS 14 -8.599 -1.310 -10.547 107 HG3 LYS 14 3HG LYS 14 -8.911 -3.031 -10.307 108 HD2 LYS 14 2HD LYS 14 -7.804 -2.996 -12.345 109 HD3 LYS 14 3HD LYS 14 -9.501 -3.025 -12.831 110 HE2 LYS 14 2HE LYS 14 -9.354 -0.488 -12.921 111 HE3 LYS 14 3HE LYS 14 -7.607 -0.688 -12.797 112 HZ1 LYS 14 3HZ LYS 14 -7.561 -1.011 -14.972 113 HZ2 LYS 14 1HZ LYS 14 -9.248 -0.928 -15.073 114 HZ3 LYS 14 2HZ LYS 14 -8.490 -2.413 -14.789 115 H LYS 15 H LYS 15 -12.286 -0.153 -7.744 116 HA LYS 15 HA LYS 15 -14.987 -0.757 -8.559 117 HB2 LYS 15 2HB LYS 15 -13.873 1.195 -6.540 118 HB3 LYS 15 3HB LYS 15 -15.591 0.940 -6.816 119 HG2 LYS 15 2HG LYS 15 -15.590 -0.781 -5.430 120 HG3 LYS 15 3HG LYS 15 -14.338 -1.585 -6.380 121 HD2 LYS 15 2HD LYS 15 -12.704 -0.997 -4.947 122 HD3 LYS 15 3HD LYS 15 -13.375 0.616 -4.692 123 HE2 LYS 15 2HE LYS 15 -14.999 -0.258 -3.139 124 HE3 LYS 15 3HE LYS 15 -14.487 -1.910 -3.477 125 HZ1 LYS 15 3HZ LYS 15 -13.353 -1.467 -1.556 126 HZ2 LYS 15 1HZ LYS 15 -13.129 0.171 -1.915 127 HZ3 LYS 15 2HZ LYS 15 -12.193 -1.001 -2.696 128 H ARG 16 H ARG 16 -13.580 2.454 -8.002 129 HA ARG 16 HA ARG 16 -15.203 3.566 -10.110 130 HB2 ARG 16 2HB ARG 16 -13.091 4.891 -8.399 131 HB3 ARG 16 3HB ARG 16 -14.265 5.713 -9.418 132 HG2 ARG 16 2HG ARG 16 -15.272 3.871 -7.316 133 HG3 ARG 16 3HG ARG 16 -14.635 5.443 -6.829 134 HD2 ARG 16 2HD ARG 16 -16.290 6.605 -7.933 135 HD3 ARG 16 3HD ARG 16 -16.591 5.296 -9.075 136 HE ARG 16 HE ARG 16 -17.897 5.714 -6.591 137 HH11 ARG 16 1HH1 ARG 16 -16.719 3.213 -8.708 138 HH12 ARG 16 2HH1 ARG 16 -17.861 2.031 -8.160 139 HH21 ARG 16 1HH2 ARG 16 -19.406 4.166 -5.862 140 HH22 ARG 16 2HH2 ARG 16 -19.390 2.574 -6.543 141 H ILE 17 H ILE 17 -11.791 2.873 -9.561 142 HA ILE 17 HA ILE 17 -10.699 4.191 -11.761 143 HB ILE 17 HB ILE 17 -8.927 2.329 -11.650 144 HG12 ILE 17 2HG1 ILE 17 -10.872 1.013 -10.231 145 HG13 ILE 17 3HG1 ILE 17 -9.159 0.609 -10.210 146 HG21 ILE 17 1HG2 ILE 17 -9.579 4.092 -9.298 147 HG22 ILE 17 2HG2 ILE 17 -8.051 3.232 -9.485 148 HG23 ILE 17 3HG2 ILE 17 -8.522 4.459 -10.661 149 HD11 ILE 17 3HD1 ILE 17 -10.262 0.801 -7.971 150 HD12 ILE 17 1HD1 ILE 17 -8.819 1.790 -8.191 151 HD13 ILE 17 2HD1 ILE 17 -10.417 2.531 -8.277 152 H SER 18 H SER 18 -12.237 1.035 -11.517 153 HA SER 18 HA SER 18 -11.523 0.009 -14.019 154 HB2 SER 18 2HB SER 18 -12.497 -1.555 -12.586 155 HB3 SER 18 3HB SER 18 -13.828 -0.480 -12.157 156 HG SER 18 HG SER 18 -14.605 -2.036 -13.556 157 H VAL 19 H VAL 19 -14.650 1.485 -13.133 158 HA VAL 19 HA VAL 19 -15.620 1.718 -15.747 159 HB VAL 19 HB VAL 19 -17.118 1.910 -13.861 160 HG11 VAL 19 1HG1 VAL 19 -15.500 3.040 -12.349 161 HG12 VAL 19 2HG1 VAL 19 -15.794 4.543 -13.225 162 HG13 VAL 19 3HG1 VAL 19 -17.106 3.767 -12.338 163 HG21 VAL 19 3HG2 VAL 19 -17.607 3.103 -16.031 164 HG22 VAL 19 1HG2 VAL 19 -18.478 3.698 -14.618 165 HG23 VAL 19 2HG2 VAL 19 -17.087 4.589 -15.237 166 H LYS 20 H LYS 20 -13.726 3.950 -13.773 167 HA LYS 20 HA LYS 20 -13.850 6.136 -15.578 168 HB2 LYS 20 2HB LYS 20 -13.287 6.543 -13.278 169 HB3 LYS 20 3HB LYS 20 -11.909 5.453 -13.367 170 HG2 LYS 20 2HG LYS 20 -11.929 7.739 -15.243 171 HG3 LYS 20 3HG LYS 20 -11.677 8.100 -13.533 172 HD2 LYS 20 2HD LYS 20 -9.654 7.064 -13.474 173 HD3 LYS 20 3HD LYS 20 -10.117 5.855 -14.674 174 HE2 LYS 20 2HE LYS 20 -8.513 7.179 -15.753 175 HE3 LYS 20 3HE LYS 20 -10.058 7.766 -16.365 176 HZ1 LYS 20 3HZ LYS 20 -8.138 9.342 -15.379 177 HZ2 LYS 20 1HZ LYS 20 -9.084 9.112 -13.995 178 HZ3 LYS 20 2HZ LYS 20 -9.779 9.754 -15.397 179 H LYS 21 H LYS 21 -12.048 3.222 -15.544 180 HA LYS 21 HA LYS 21 -9.876 4.174 -17.178 181 HB2 LYS 21 2HB LYS 21 -9.537 2.313 -15.626 182 HB3 LYS 21 3HB LYS 21 -10.744 1.362 -16.481 183 HG2 LYS 21 2HG LYS 21 -8.462 0.696 -17.056 184 HG3 LYS 21 3HG LYS 21 -9.347 1.305 -18.457 185 HD2 LYS 21 2HD LYS 21 -8.073 3.202 -18.608 186 HD3 LYS 21 3HD LYS 21 -7.713 3.228 -16.880 187 HE2 LYS 21 2HE LYS 21 -6.595 1.202 -18.810 188 HE3 LYS 21 3HE LYS 21 -5.762 2.684 -18.346 189 HZ1 LYS 21 3HZ LYS 21 -5.912 1.911 -16.011 190 HZ2 LYS 21 1HZ LYS 21 -4.963 0.912 -16.994 191 HZ3 LYS 21 2HZ LYS 21 -6.529 0.437 -16.567 192 H LYS 22 H LYS 22 -12.801 2.236 -17.684 193 HA LYS 22 HA LYS 22 -12.330 1.856 -20.477 194 HB2 LYS 22 2HB LYS 22 -14.807 1.505 -18.784 195 HB3 LYS 22 3HB LYS 22 -14.719 1.077 -20.487 196 HG2 LYS 22 2HG LYS 22 -13.143 -0.633 -20.075 197 HG3 LYS 22 3HG LYS 22 -12.858 -0.069 -18.426 198 HD2 LYS 22 2HD LYS 22 -14.771 -1.018 -17.627 199 HD3 LYS 22 3HD LYS 22 -15.634 -0.825 -19.154 200 HE2 LYS 22 2HE LYS 22 -15.193 -3.182 -18.642 201 HE3 LYS 22 3HE LYS 22 -14.381 -2.667 -20.120 202 HZ1 LYS 22 3HZ LYS 22 -12.377 -3.032 -19.233 203 HZ2 LYS 22 1HZ LYS 22 -13.195 -3.973 -18.089 204 HZ3 LYS 22 2HZ LYS 22 -12.791 -2.369 -17.733 205 H GLN 23 H GLN 23 -13.636 4.393 -18.581 206 HA GLN 23 HA GLN 23 -15.412 5.551 -20.434 207 HB2 GLN 23 2HB GLN 23 -13.867 6.621 -18.091 208 HB3 GLN 23 3HB GLN 23 -14.818 7.698 -19.105 209 HG2 GLN 23 2HG GLN 23 -16.148 5.263 -18.069 210 HG3 GLN 23 3HG GLN 23 -15.797 6.558 -16.926 211 HE21 GLN 23 1HE2 GLN 23 -18.226 6.431 -16.870 212 HE22 GLN 23 2HE2 GLN 23 -19.085 7.450 -17.968 213 H GLU 24 H GLU 24 -14.942 6.268 -22.396 214 HA GLU 24 HA GLU 24 -12.317 6.771 -23.308 215 HB2 GLU 24 2HB GLU 24 -14.928 7.661 -24.547 216 HB3 GLU 24 3HB GLU 24 -13.374 7.556 -25.362 217 HG2 GLU 24 2HG GLU 24 -13.358 5.174 -25.170 218 HG3 GLU 24 3HG GLU 24 -14.797 5.200 -24.153 219 H GLN 25 H GLN 25 -11.139 8.383 -22.483 220 HA GLN 25 HA GLN 25 -12.276 10.847 -21.585 221 HB2 GLN 25 2HB GLN 25 -9.533 9.700 -21.778 222 HB3 GLN 25 3HB GLN 25 -9.687 11.445 -21.621 223 HG2 GLN 25 2HG GLN 25 -10.751 9.369 -19.721 224 HG3 GLN 25 3HG GLN 25 -9.380 10.445 -19.455 225 HE21 GLN 25 1HE2 GLN 25 -9.734 12.564 -18.907 226 HE22 GLN 25 2HE2 GLN 25 -11.290 13.179 -18.474 227 HA PRO 26 HA PRO 26 -12.094 13.352 -25.180 228 HB2 PRO 26 2HB PRO 26 -11.201 15.722 -24.202 229 HB3 PRO 26 3HB PRO 26 -12.826 15.103 -23.884 230 HG2 PRO 26 2HG PRO 26 -10.390 15.007 -22.148 231 HG3 PRO 26 3HG PRO 26 -12.065 15.382 -21.705 232 HD2 PRO 26 2HD PRO 26 -10.950 12.954 -21.265 233 HD3 PRO 26 3HD PRO 26 -12.675 13.160 -21.631 Start of MODEL 20 1 H1 VAL 1 H VAL 1 2.673 0.471 0.062 2 HA VAL 1 HA VAL 1 2.481 0.688 -2.722 3 HB VAL 1 HB VAL 1 4.568 1.053 -1.428 4 HG11 VAL 1 1HG1 VAL 1 4.068 -1.348 -0.283 5 HG12 VAL 1 2HG1 VAL 1 5.287 -1.797 -1.477 6 HG13 VAL 1 3HG1 VAL 1 5.642 -0.554 -0.276 7 HG21 VAL 1 3HG2 VAL 1 4.468 0.588 -3.923 8 HG22 VAL 1 1HG2 VAL 1 6.027 0.339 -3.137 9 HG23 VAL 1 2HG2 VAL 1 5.009 -1.045 -3.537 10 H SER 2 H SER 2 2.097 -2.034 -0.611 11 HA SER 2 HA SER 2 2.428 -4.017 -2.674 12 HB2 SER 2 2HB SER 2 2.969 -4.561 -0.345 13 HB3 SER 2 3HB SER 2 1.297 -4.258 0.125 14 HG SER 2 HG SER 2 2.315 -6.330 -1.509 15 H VAL 3 H VAL 3 -0.107 -2.019 -1.537 16 HA VAL 3 HA VAL 3 -2.257 -3.718 -2.449 17 HB VAL 3 HB VAL 3 -2.358 -0.804 -1.657 18 HG11 VAL 3 1HG1 VAL 3 -4.428 -0.960 -2.487 19 HG12 VAL 3 2HG1 VAL 3 -4.346 -2.719 -2.597 20 HG13 VAL 3 3HG1 VAL 3 -4.783 -1.950 -1.071 21 HG21 VAL 3 3HG2 VAL 3 -1.519 -2.022 0.211 22 HG22 VAL 3 1HG2 VAL 3 -3.231 -1.722 0.511 23 HG23 VAL 3 2HG2 VAL 3 -2.695 -3.314 -0.025 24 H ASP 4 H ASP 4 -0.208 -1.300 -3.785 25 HA ASP 4 HA ASP 4 -1.832 -0.271 -5.819 26 HB2 ASP 4 2HB ASP 4 0.897 -0.103 -5.057 27 HB3 ASP 4 3HB ASP 4 0.858 -0.523 -6.767 28 HA PRO 5 HA PRO 5 -0.082 -3.814 -8.623 29 HB2 PRO 5 2HB PRO 5 1.065 -5.918 -7.349 30 HB3 PRO 5 3HB PRO 5 1.980 -4.502 -7.879 31 HG2 PRO 5 2HG PRO 5 0.922 -5.164 -5.158 32 HG3 PRO 5 3HG PRO 5 2.500 -4.496 -5.613 33 HD2 PRO 5 2HD PRO 5 0.488 -2.957 -4.656 34 HD3 PRO 5 3HD PRO 5 1.671 -2.357 -5.835 35 H PHE 6 H PHE 6 -1.316 -4.729 -5.441 36 HA PHE 6 HA PHE 6 -2.617 -7.097 -6.154 37 HB2 PHE 6 2HB PHE 6 -2.230 -6.217 -3.816 38 HB3 PHE 6 3HB PHE 6 -3.592 -5.131 -4.077 39 HD1 PHE 6 HD1 PHE 6 -2.614 -8.693 -3.902 40 HD2 PHE 6 HD2 PHE 6 -5.802 -5.874 -3.812 41 HE1 PHE 6 HE1 PHE 6 -4.158 -10.467 -3.177 42 HE2 PHE 6 HE2 PHE 6 -7.350 -7.642 -3.086 43 HZ PHE 6 HZ PHE 6 -6.529 -9.942 -2.767 44 H TYR 7 H TYR 7 -4.072 -3.862 -5.752 45 HA TYR 7 HA TYR 7 -6.544 -4.611 -6.925 46 HB2 TYR 7 2HB TYR 7 -7.233 -2.561 -6.281 47 HB3 TYR 7 3HB TYR 7 -5.689 -2.484 -5.438 48 HD1 TYR 7 HD2 TYR 7 -3.804 -1.224 -6.419 49 HD2 TYR 7 HD1 TYR 7 -7.663 -1.210 -8.211 50 HE1 TYR 7 HE2 TYR 7 -3.176 0.752 -7.741 51 HE2 TYR 7 HE1 TYR 7 -7.045 0.766 -9.539 52 HH TYR 7 HH TYR 7 -4.672 1.743 -10.390 53 H GLU 8 H GLU 8 -3.513 -3.705 -8.231 54 HA GLU 8 HA GLU 8 -4.493 -2.689 -10.728 55 HB2 GLU 8 2HB GLU 8 -1.845 -3.285 -9.538 56 HB3 GLU 8 3HB GLU 8 -1.942 -3.344 -11.293 57 HG2 GLU 8 2HG GLU 8 -2.873 -0.995 -9.669 58 HG3 GLU 8 3HG GLU 8 -1.240 -1.147 -10.314 59 H MET 9 H MET 9 -3.174 -5.774 -9.596 60 HA MET 9 HA MET 9 -3.389 -7.014 -12.180 61 HB2 MET 9 2HB MET 9 -2.660 -9.033 -11.075 62 HB3 MET 9 3HB MET 9 -1.684 -7.685 -10.506 63 HG2 MET 9 2HG MET 9 -3.060 -7.565 -8.478 64 HG3 MET 9 3HG MET 9 -3.991 -8.949 -9.046 65 HE1 MET 9 3HE MET 9 -0.855 -7.705 -7.219 66 HE2 MET 9 1HE MET 9 0.327 -8.988 -7.474 67 HE3 MET 9 2HE MET 9 -0.164 -7.961 -8.821 68 H LEU 10 H LEU 10 -5.268 -6.985 -9.195 69 HA LEU 10 HA LEU 10 -7.155 -8.941 -10.129 70 HB2 LEU 10 2HB LEU 10 -6.693 -7.385 -7.694 71 HB3 LEU 10 3HB LEU 10 -8.395 -7.652 -8.062 72 HG LEU 10 HG LEU 10 -7.629 -9.351 -6.543 73 HD11 LEU 10 1HD1 LEU 10 -8.423 -11.238 -7.659 74 HD12 LEU 10 2HD1 LEU 10 -7.767 -10.713 -9.210 75 HD13 LEU 10 3HD1 LEU 10 -9.167 -9.891 -8.521 76 HD21 LEU 10 3HD2 LEU 10 -5.797 -10.797 -6.962 77 HD22 LEU 10 1HD2 LEU 10 -5.215 -9.154 -7.228 78 HD23 LEU 10 2HD2 LEU 10 -5.601 -10.186 -8.606 79 H ALA 11 H ALA 11 -8.809 -8.586 -11.444 80 HA ALA 11 HA ALA 11 -9.477 -5.909 -12.274 81 HB1 ALA 11 1HB ALA 11 -11.074 -8.287 -13.101 82 HB2 ALA 11 2HB ALA 11 -10.602 -6.866 -14.033 83 HB3 ALA 11 3HB ALA 11 -9.414 -8.120 -13.675 84 H ALA 12 H ALA 12 -10.638 -8.158 -9.960 85 HA ALA 12 HA ALA 12 -13.316 -7.103 -9.822 86 HB1 ALA 12 1HB ALA 12 -11.878 -8.901 -7.874 87 HB2 ALA 12 2HB ALA 12 -13.615 -8.601 -7.948 88 HB3 ALA 12 3HB ALA 12 -12.810 -9.451 -9.267 89 H ARG 13 H ARG 13 -10.254 -6.311 -8.492 90 HA ARG 13 HA ARG 13 -11.215 -4.987 -6.141 91 HB2 ARG 13 2HB ARG 13 -8.604 -5.323 -7.507 92 HB3 ARG 13 3HB ARG 13 -8.780 -3.899 -6.490 93 HG2 ARG 13 2HG ARG 13 -9.189 -6.755 -5.625 94 HG3 ARG 13 3HG ARG 13 -7.794 -5.740 -5.254 95 HD2 ARG 13 2HD ARG 13 -10.598 -5.556 -4.231 96 HD3 ARG 13 3HD ARG 13 -9.082 -5.575 -3.332 97 HE ARG 13 HE ARG 13 -10.435 -3.288 -4.330 98 HH11 ARG 13 1HH1 ARG 13 -7.259 -4.598 -3.770 99 HH12 ARG 13 2HH1 ARG 13 -6.508 -3.046 -3.592 100 HH21 ARG 13 1HH2 ARG 13 -9.459 -1.240 -4.098 101 HH22 ARG 13 2HH2 ARG 13 -7.760 -1.137 -3.778 102 H LYS 14 H LYS 14 -10.154 -3.936 -9.356 103 HA LYS 14 HA LYS 14 -10.365 -1.174 -8.940 104 HB2 LYS 14 2HB LYS 14 -10.792 -2.728 -11.499 105 HB3 LYS 14 3HB LYS 14 -10.493 -0.999 -11.392 106 HG2 LYS 14 2HG LYS 14 -8.279 -1.351 -10.593 107 HG3 LYS 14 3HG LYS 14 -8.567 -3.081 -10.390 108 HD2 LYS 14 2HD LYS 14 -7.340 -2.890 -12.388 109 HD3 LYS 14 3HD LYS 14 -9.012 -3.140 -12.896 110 HE2 LYS 14 2HE LYS 14 -8.206 -1.405 -14.262 111 HE3 LYS 14 3HE LYS 14 -9.184 -0.606 -13.032 112 HZ1 LYS 14 3HZ LYS 14 -6.280 -0.578 -13.405 113 HZ2 LYS 14 1HZ LYS 14 -6.878 -0.464 -11.827 114 HZ3 LYS 14 2HZ LYS 14 -7.325 0.683 -12.985 115 H LYS 15 H LYS 15 -12.202 -0.519 -7.904 116 HA LYS 15 HA LYS 15 -14.813 -1.355 -8.805 117 HB2 LYS 15 2HB LYS 15 -13.930 0.655 -6.730 118 HB3 LYS 15 3HB LYS 15 -15.613 0.270 -7.066 119 HG2 LYS 15 2HG LYS 15 -15.523 -1.480 -5.717 120 HG3 LYS 15 3HG LYS 15 -14.161 -2.151 -6.617 121 HD2 LYS 15 2HD LYS 15 -13.233 -1.898 -4.525 122 HD3 LYS 15 3HD LYS 15 -12.788 -0.366 -5.281 123 HE2 LYS 15 2HE LYS 15 -14.865 0.617 -4.265 124 HE3 LYS 15 3HE LYS 15 -15.053 -0.886 -3.363 125 HZ1 LYS 15 3HZ LYS 15 -13.840 1.076 -2.265 126 HZ2 LYS 15 1HZ LYS 15 -12.525 0.624 -3.230 127 HZ3 LYS 15 2HZ LYS 15 -13.171 -0.471 -2.115 128 H ARG 16 H ARG 16 -13.713 1.962 -8.177 129 HA ARG 16 HA ARG 16 -15.373 2.953 -10.315 130 HB2 ARG 16 2HB ARG 16 -14.641 4.017 -7.952 131 HB3 ARG 16 3HB ARG 16 -13.428 4.754 -8.990 132 HG2 ARG 16 2HG ARG 16 -15.472 5.367 -10.481 133 HG3 ARG 16 3HG ARG 16 -16.388 5.102 -8.996 134 HD2 ARG 16 2HD ARG 16 -14.381 6.639 -8.058 135 HD3 ARG 16 3HD ARG 16 -14.498 7.251 -9.707 136 HE ARG 16 HE ARG 16 -16.472 8.253 -9.148 137 HH11 ARG 16 1HH1 ARG 16 -15.738 5.812 -6.777 138 HH12 ARG 16 2HH1 ARG 16 -17.049 6.248 -5.731 139 HH21 ARG 16 1HH2 ARG 16 -18.201 8.836 -7.780 140 HH22 ARG 16 2HH2 ARG 16 -18.450 7.968 -6.303 141 H ILE 17 H ILE 17 -11.928 2.555 -9.688 142 HA ILE 17 HA ILE 17 -10.908 3.986 -11.853 143 HB ILE 17 HB ILE 17 -8.975 2.297 -11.706 144 HG12 ILE 17 2HG1 ILE 17 -10.827 0.795 -10.344 145 HG13 ILE 17 3HG1 ILE 17 -9.085 0.546 -10.291 146 HG21 ILE 17 1HG2 ILE 17 -9.846 3.966 -9.357 147 HG22 ILE 17 2HG2 ILE 17 -8.240 3.256 -9.514 148 HG23 ILE 17 3HG2 ILE 17 -8.797 4.446 -10.690 149 HD11 ILE 17 3HD1 ILE 17 -10.558 2.321 -8.368 150 HD12 ILE 17 1HD1 ILE 17 -10.237 0.613 -8.073 151 HD13 ILE 17 2HD1 ILE 17 -8.896 1.744 -8.256 152 H SER 18 H SER 18 -12.182 0.715 -11.665 153 HA SER 18 HA SER 18 -11.306 -0.255 -14.133 154 HB2 SER 18 2HB SER 18 -12.232 -1.884 -12.743 155 HB3 SER 18 3HB SER 18 -13.645 -0.899 -12.363 156 HG SER 18 HG SER 18 -13.504 -2.781 -14.151 157 H VAL 19 H VAL 19 -14.564 1.001 -13.386 158 HA VAL 19 HA VAL 19 -15.361 1.207 -16.084 159 HB VAL 19 HB VAL 19 -16.959 1.112 -14.205 160 HG11 VAL 19 1HG1 VAL 19 -17.361 2.961 -12.771 161 HG12 VAL 19 2HG1 VAL 19 -15.621 2.665 -12.740 162 HG13 VAL 19 3HG1 VAL 19 -16.274 3.998 -13.693 163 HG21 VAL 19 3HG2 VAL 19 -17.633 3.700 -15.451 164 HG22 VAL 19 1HG2 VAL 19 -17.257 2.380 -16.558 165 HG23 VAL 19 2HG2 VAL 19 -18.556 2.199 -15.379 166 H LYS 20 H LYS 20 -13.891 3.504 -13.850 167 HA LYS 20 HA LYS 20 -14.183 5.817 -15.420 168 HB2 LYS 20 2HB LYS 20 -13.585 5.993 -13.091 169 HB3 LYS 20 3HB LYS 20 -12.108 5.075 -13.353 170 HG2 LYS 20 2HG LYS 20 -12.393 7.521 -14.967 171 HG3 LYS 20 3HG LYS 20 -12.210 7.757 -13.227 172 HD2 LYS 20 2HD LYS 20 -10.378 5.833 -14.551 173 HD3 LYS 20 3HD LYS 20 -10.122 7.551 -14.867 174 HE2 LYS 20 2HE LYS 20 -10.323 6.326 -12.119 175 HE3 LYS 20 3HE LYS 20 -8.806 6.670 -12.949 176 HZ1 LYS 20 3HZ LYS 20 -8.914 8.753 -12.250 177 HZ2 LYS 20 1HZ LYS 20 -10.328 8.400 -11.390 178 HZ3 LYS 20 2HZ LYS 20 -10.425 8.971 -12.979 179 H LYS 21 H LYS 21 -12.085 3.106 -15.709 180 HA LYS 21 HA LYS 21 -10.135 4.466 -17.356 181 HB2 LYS 21 2HB LYS 21 -9.469 2.606 -15.881 182 HB3 LYS 21 3HB LYS 21 -10.505 1.517 -16.794 183 HG2 LYS 21 2HG LYS 21 -8.494 3.013 -18.350 184 HG3 LYS 21 3HG LYS 21 -7.880 1.785 -17.240 185 HD2 LYS 21 2HD LYS 21 -9.848 0.377 -18.368 186 HD3 LYS 21 3HD LYS 21 -9.513 1.489 -19.697 187 HE2 LYS 21 2HE LYS 21 -7.503 -0.285 -18.313 188 HE3 LYS 21 3HE LYS 21 -8.205 -0.562 -19.907 189 HZ1 LYS 21 3HZ LYS 21 -6.439 1.688 -19.113 190 HZ2 LYS 21 1HZ LYS 21 -7.209 1.566 -20.615 191 HZ3 LYS 21 2HZ LYS 21 -6.054 0.416 -20.161 192 H LYS 22 H LYS 22 -12.598 1.944 -17.847 193 HA LYS 22 HA LYS 22 -12.270 1.663 -20.610 194 HB2 LYS 22 2HB LYS 22 -14.763 1.294 -18.937 195 HB3 LYS 22 3HB LYS 22 -14.565 0.722 -20.589 196 HG2 LYS 22 2HG LYS 22 -13.040 -0.915 -19.976 197 HG3 LYS 22 3HG LYS 22 -12.655 -0.121 -18.447 198 HD2 LYS 22 2HD LYS 22 -13.994 -2.062 -17.988 199 HD3 LYS 22 3HD LYS 22 -14.965 -0.623 -17.673 200 HE2 LYS 22 2HE LYS 22 -16.307 -2.235 -18.852 201 HE3 LYS 22 3HE LYS 22 -15.978 -0.871 -19.919 202 HZ1 LYS 22 3HZ LYS 22 -14.026 -2.968 -20.120 203 HZ2 LYS 22 1HZ LYS 22 -14.881 -2.167 -21.341 204 HZ3 LYS 22 2HZ LYS 22 -15.585 -3.477 -20.536 205 H GLN 23 H GLN 23 -14.344 3.841 -18.744 206 HA GLN 23 HA GLN 23 -15.775 4.950 -20.875 207 HB2 GLN 23 2HB GLN 23 -16.417 6.675 -19.384 208 HB3 GLN 23 3HB GLN 23 -16.226 5.232 -18.398 209 HG2 GLN 23 2HG GLN 23 -14.806 6.300 -17.092 210 HG3 GLN 23 3HG GLN 23 -13.733 6.572 -18.463 211 HE21 GLN 23 1HE2 GLN 23 -16.364 7.893 -16.579 212 HE22 GLN 23 2HE2 GLN 23 -16.146 9.536 -17.067 213 H GLU 24 H GLU 24 -15.518 6.902 -22.025 214 HA GLU 24 HA GLU 24 -12.886 7.395 -22.937 215 HB2 GLU 24 2HB GLU 24 -15.391 9.042 -23.331 216 HB3 GLU 24 3HB GLU 24 -13.900 9.219 -24.246 217 HG2 GLU 24 2HG GLU 24 -14.161 6.951 -25.113 218 HG3 GLU 24 3HG GLU 24 -15.657 6.776 -24.198 219 H GLN 25 H GLN 25 -11.367 8.403 -21.808 220 HA GLN 25 HA GLN 25 -11.842 10.052 -19.581 221 HB2 GLN 25 2HB GLN 25 -9.468 9.366 -21.245 222 HB3 GLN 25 3HB GLN 25 -9.350 10.763 -20.184 223 HG2 GLN 25 2HG GLN 25 -8.553 9.113 -18.823 224 HG3 GLN 25 3HG GLN 25 -10.260 9.111 -18.383 225 HE21 GLN 25 1HE2 GLN 25 -8.974 6.923 -17.743 226 HE22 GLN 25 2HE2 GLN 25 -9.328 5.616 -18.816 227 HA PRO 26 HA PRO 26 -12.530 14.072 -21.192 228 HB2 PRO 26 2HB PRO 26 -11.092 15.637 -19.504 229 HB3 PRO 26 3HB PRO 26 -12.589 14.830 -19.024 230 HG2 PRO 26 2HG PRO 26 -9.752 14.014 -18.524 231 HG3 PRO 26 3HG PRO 26 -11.137 13.982 -17.417 232 HD2 PRO 26 2HD PRO 26 -10.240 11.768 -18.693 233 HD3 PRO 26 3HD PRO 26 -11.952 12.012 -18.295
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