NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11428 | 1rhx | 6010 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HN MET 1 -15.139 3.540 -9.289 2 HA MET 1 HA MET 1 -13.722 1.728 -11.138 3 1HB MET 1 2HB MET 1 -11.627 2.909 -10.669 4 2HB MET 1 3HB MET 1 -12.776 3.908 -11.539 5 1HG MET 1 2HG MET 1 -12.325 4.078 -8.529 6 2HG MET 1 3HG MET 1 -11.457 5.045 -9.713 7 1HE MET 1 1HE MET 1 -13.880 7.562 -7.852 8 2HE MET 1 2HE MET 1 -13.251 6.062 -7.144 9 3HE MET 1 3HE MET 1 -12.190 7.090 -8.134 10 H ALA 2 HN ALA 2 -12.271 0.330 -10.256 11 HA ALA 2 HA ALA 2 -12.242 -0.276 -7.358 12 1HB ALA 2 1HB ALA 2 -10.966 -2.242 -8.178 13 2HB ALA 2 2HB ALA 2 -12.537 -2.181 -8.984 14 3HB ALA 2 3HB ALA 2 -11.073 -1.646 -9.842 15 H LEU 3 HN LEU 3 -9.898 -0.654 -6.572 16 HA LEU 3 HA LEU 3 -7.831 0.877 -8.029 17 1HB LEU 3 2HB LEU 3 -8.232 0.821 -5.010 18 2HB LEU 3 3HB LEU 3 -6.992 1.665 -5.892 19 HG LEU 3 HG LEU 3 -9.970 2.293 -6.177 20 1HD1 LEU 3 1HD1 LEU 3 -9.199 2.615 -3.822 21 2HD1 LEU 3 2HD1 LEU 3 -8.056 3.845 -4.428 22 3HD1 LEU 3 3HD1 LEU 3 -9.807 4.054 -4.636 23 1HD2 LEU 3 1HD2 LEU 3 -9.192 4.473 -7.032 24 2HD2 LEU 3 2HD2 LEU 3 -7.500 3.938 -6.885 25 3HD2 LEU 3 3HD2 LEU 3 -8.597 3.144 -8.026 26 H VAL 4 HN VAL 4 -7.117 -1.013 -8.968 27 HA VAL 4 HA VAL 4 -6.140 -3.222 -7.194 28 HB VAL 4 HB VAL 4 -7.795 -3.463 -9.703 29 1HG1 VAL 4 1HG1 VAL 4 -7.218 -6.054 -8.648 30 2HG1 VAL 4 2HG1 VAL 4 -6.717 -5.367 -10.189 31 3HG1 VAL 4 3HG1 VAL 4 -5.652 -5.207 -8.800 32 1HG2 VAL 4 1HG2 VAL 4 -8.131 -4.452 -6.840 33 2HG2 VAL 4 2HG2 VAL 4 -9.080 -3.198 -7.631 34 3HG2 VAL 4 3HG2 VAL 4 -9.186 -4.885 -8.197 35 H LEU 5 HN LEU 5 -4.205 -1.624 -7.510 36 HA LEU 5 HA LEU 5 -2.156 -2.674 -8.973 37 1HB LEU 5 2HB LEU 5 -1.735 -0.859 -10.612 38 2HB LEU 5 3HB LEU 5 -2.975 -1.986 -11.078 39 HG LEU 5 HG LEU 5 -4.414 0.124 -9.808 40 1HD1 LEU 5 1HD1 LEU 5 -2.278 1.488 -9.939 41 2HD1 LEU 5 2HD1 LEU 5 -2.416 1.374 -11.718 42 3HD1 LEU 5 3HD1 LEU 5 -3.687 2.154 -10.764 43 1HD2 LEU 5 1HD2 LEU 5 -5.181 0.637 -12.082 44 2HD2 LEU 5 2HD2 LEU 5 -3.856 -0.347 -12.750 45 3HD2 LEU 5 3HD2 LEU 5 -5.136 -1.107 -11.785 46 H VAL 6 HN VAL 6 -0.383 -1.865 -7.874 47 HA VAL 6 HA VAL 6 -0.477 0.977 -7.107 48 HB VAL 6 HB VAL 6 -1.441 -0.063 -5.226 49 1HG1 VAL 6 1HG1 VAL 6 0.938 -1.936 -5.168 50 2HG1 VAL 6 2HG1 VAL 6 -0.208 -1.744 -3.833 51 3HG1 VAL 6 3HG1 VAL 6 -0.775 -2.351 -5.372 52 1HG2 VAL 6 1HG2 VAL 6 1.373 0.579 -4.374 53 2HG2 VAL 6 2HG2 VAL 6 0.166 1.807 -4.843 54 3HG2 VAL 6 3HG2 VAL 6 -0.096 0.725 -3.470 55 H LYS 7 HN LYS 7 0.874 0.180 -9.253 56 HA LYS 7 HA LYS 7 3.706 0.078 -8.270 57 1HB LYS 7 2HB LYS 7 4.286 -1.188 -10.306 58 2HB LYS 7 3HB LYS 7 3.280 -2.072 -9.181 59 1HG LYS 7 2HG LYS 7 1.785 -0.615 -11.317 60 2HG LYS 7 3HG LYS 7 2.892 -1.860 -11.908 61 1HD LYS 7 2HD LYS 7 1.864 -3.553 -10.500 62 2HD LYS 7 3HD LYS 7 0.804 -2.350 -9.757 63 1HE LYS 7 2HE LYS 7 -0.475 -3.525 -11.426 64 2HE LYS 7 3HE LYS 7 -0.231 -1.863 -11.978 65 1HZ LYS 7 1HZ LYS 7 1.341 -4.201 -12.864 66 2HZ LYS 7 2HZ LYS 7 0.070 -3.567 -13.667 67 3HZ LYS 7 3HZ LYS 7 1.449 -2.657 -13.502 68 H TYR 8 HN TYR 8 1.995 2.491 -8.959 69 HA TYR 8 HA TYR 8 3.986 3.663 -10.849 70 1HB TYR 8 2HB TYR 8 0.982 4.218 -10.903 71 2HB TYR 8 3HB TYR 8 2.191 4.802 -12.031 72 HD1 TYR 8 HD1 TYR 8 -0.318 2.355 -11.497 73 HD2 TYR 8 HD2 TYR 8 3.492 2.973 -13.360 74 HE1 TYR 8 HE1 TYR 8 -0.674 0.318 -12.873 75 HE2 TYR 8 HE2 TYR 8 3.239 0.875 -14.652 76 HH TYR 8 HH TYR 8 0.189 -1.015 -14.593 77 H GLY 9 HN GLY 9 3.826 3.673 -7.938 78 1HA GLY 9 1HA GLY 9 3.763 5.098 -6.117 79 2HA GLY 9 2HA GLY 9 3.843 6.458 -7.203 80 H THR 10 HN THR 10 2.033 7.362 -7.847 81 HA THR 10 HA THR 10 0.087 7.176 -5.685 82 HB THR 10 HB THR 10 -0.499 9.527 -6.571 83 HG1 THR 10 HG1 THR 10 0.547 9.723 -8.457 84 1HG2 THR 10 1HG2 THR 10 0.739 9.145 -4.497 85 2HG2 THR 10 2HG2 THR 10 2.226 8.752 -5.392 86 3HG2 THR 10 3HG2 THR 10 1.586 10.399 -5.415 87 H ASP 11 HN ASP 11 -1.140 5.251 -6.658 88 HA ASP 11 HA ASP 11 -3.448 6.441 -8.077 89 1HB ASP 11 2HB ASP 11 -1.623 5.530 -9.702 90 2HB ASP 11 3HB ASP 11 -2.144 3.930 -9.198 91 H HIS 12 HN HIS 12 -3.398 5.495 -5.343 92 HA HIS 12 HA HIS 12 -5.668 3.768 -5.259 93 1HB HIS 12 2HB HIS 12 -4.778 1.702 -4.672 94 2HB HIS 12 3HB HIS 12 -3.533 2.185 -5.788 95 HD1 HIS 12 HD1 HIS 12 -2.075 4.210 -3.474 96 HD2 HIS 12 HD2 HIS 12 -3.341 0.200 -3.071 97 HE1 HIS 12 HE1 HIS 12 -0.900 3.288 -1.488 98 HA PRO 13 HA PRO 13 -5.762 5.671 -1.314 99 1HB PRO 13 2HB PRO 13 -6.822 3.871 0.472 100 2HB PRO 13 3HB PRO 13 -7.680 4.631 -0.873 101 1HG PRO 13 2HG PRO 13 -6.708 1.812 -0.617 102 2HG PRO 13 3HG PRO 13 -8.087 2.445 -1.563 103 1HD PRO 13 2HD PRO 13 -5.393 1.876 -2.422 104 2HD PRO 13 3HD PRO 13 -6.720 2.500 -3.418 105 H VAL 14 HN VAL 14 -4.931 5.905 0.896 106 HA VAL 14 HA VAL 14 -3.924 4.454 2.696 107 HB VAL 14 HB VAL 14 -1.770 4.817 0.584 108 1HG1 VAL 14 1HG1 VAL 14 -0.648 6.027 2.267 109 2HG1 VAL 14 2HG1 VAL 14 -1.086 4.857 3.533 110 3HG1 VAL 14 3HG1 VAL 14 0.072 4.443 2.257 111 1HG2 VAL 14 1HG2 VAL 14 -1.669 2.574 0.646 112 2HG2 VAL 14 2HG2 VAL 14 -1.238 2.572 2.347 113 3HG2 VAL 14 3HG2 VAL 14 -2.932 2.538 1.844 114 H GLU 15 HN GLU 15 -2.963 7.183 0.726 115 HA GLU 15 HA GLU 15 -3.526 9.034 2.984 116 1HB GLU 15 2HB GLU 15 -0.702 8.431 1.916 117 2HB GLU 15 3HB GLU 15 -1.090 9.991 2.616 118 1HG GLU 15 2HG GLU 15 -2.111 8.579 4.562 119 2HG GLU 15 3HG GLU 15 -1.101 7.294 3.985 120 H LYS 16 HN LYS 16 -4.895 8.684 0.830 121 HA LYS 16 HA LYS 16 -5.639 11.214 0.359 122 1HB LYS 16 2HB LYS 16 -3.575 11.366 -1.232 123 2HB LYS 16 3HB LYS 16 -4.455 10.289 -2.287 124 1HG LYS 16 2HG LYS 16 -5.191 12.268 -3.116 125 2HG LYS 16 3HG LYS 16 -6.434 12.073 -1.924 126 1HD LYS 16 2HD LYS 16 -5.503 13.665 -0.454 127 2HD LYS 16 3HD LYS 16 -3.882 13.568 -1.169 128 1HE LYS 16 2HE LYS 16 -6.263 14.477 -2.766 129 2HE LYS 16 3HE LYS 16 -5.361 15.620 -1.732 130 1HZ LYS 16 1HZ LYS 16 -4.217 14.081 -3.997 131 2HZ LYS 16 2HZ LYS 16 -4.438 15.712 -3.935 132 3HZ LYS 16 3HZ LYS 16 -3.336 14.998 -2.966 133 H LEU 17 HN LEU 17 -5.514 8.623 -2.116 134 HA LEU 17 HA LEU 17 -8.115 8.858 -2.860 135 1HB LEU 17 2HB LEU 17 -6.030 7.226 -3.575 136 2HB LEU 17 3HB LEU 17 -7.151 6.015 -2.997 137 HG LEU 17 HG LEU 17 -7.552 6.107 -5.231 138 1HD1 LEU 17 1HD1 LEU 17 -9.793 6.789 -5.559 139 2HD1 LEU 17 2HD1 LEU 17 -9.659 6.268 -3.866 140 3HD1 LEU 17 3HD1 LEU 17 -9.698 7.996 -4.273 141 1HD2 LEU 17 1HD2 LEU 17 -7.451 9.107 -5.079 142 2HD2 LEU 17 2HD2 LEU 17 -6.337 8.019 -5.903 143 3HD2 LEU 17 3HD2 LEU 17 -7.981 8.221 -6.516 144 H LYS 18 HN LYS 18 -6.848 7.119 -0.218 145 HA LYS 18 HA LYS 18 -8.907 5.555 0.864 146 1HB LYS 18 2HB LYS 18 -7.801 5.919 3.015 147 2HB LYS 18 3HB LYS 18 -6.639 5.615 1.756 148 1HG LYS 18 2HG LYS 18 -5.581 7.528 2.281 149 2HG LYS 18 3HG LYS 18 -6.904 8.458 1.737 150 1HD LYS 18 2HD LYS 18 -8.002 8.062 3.964 151 2HD LYS 18 3HD LYS 18 -6.362 7.388 4.461 152 1HE LYS 18 2HE LYS 18 -5.417 9.602 3.797 153 2HE LYS 18 3HE LYS 18 -7.053 10.173 3.394 154 1HZ LYS 18 1HZ LYS 18 -6.003 9.428 6.046 155 2HZ LYS 18 2HZ LYS 18 -6.428 10.941 5.601 156 3HZ LYS 18 3HZ LYS 18 -7.585 9.817 5.830 157 H ILE 19 HN ILE 19 -8.556 9.121 1.197 158 HA ILE 19 HA ILE 19 -10.692 9.310 3.152 159 HB ILE 19 HB ILE 19 -8.641 10.978 1.866 160 1HG1 ILE 19 2HG1 ILE 19 -10.388 11.628 4.294 161 2HG1 ILE 19 3HG1 ILE 19 -9.122 10.405 4.323 162 1HG2 ILE 19 1HG2 ILE 19 -9.781 13.159 1.815 163 2HG2 ILE 19 2HG2 ILE 19 -10.546 12.096 0.638 164 3HG2 ILE 19 3HG2 ILE 19 -11.336 12.405 2.192 165 1HD1 ILE 19 1HD1 ILE 19 -8.759 13.381 3.830 166 2HD1 ILE 19 2HD1 ILE 19 -8.078 12.366 5.117 167 3HD1 ILE 19 3HD1 ILE 19 -7.520 12.173 3.441 168 H ARG 20 HN ARG 20 -10.291 9.402 -0.286 169 HA ARG 20 HA ARG 20 -13.040 10.152 -0.863 170 1HB ARG 20 2HB ARG 20 -10.852 9.071 -2.680 171 2HB ARG 20 3HB ARG 20 -12.393 9.739 -3.166 172 1HG ARG 20 2HG ARG 20 -11.161 11.631 -3.354 173 2HG ARG 20 3HG ARG 20 -11.677 11.818 -1.698 174 1HD ARG 20 2HD ARG 20 -9.363 10.958 -0.955 175 2HD ARG 20 3HD ARG 20 -8.942 10.857 -2.662 176 HE ARG 20 HE ARG 20 -9.385 13.228 -0.932 177 1HH1 ARG 20 2HH2 ARG 20 -8.729 12.196 -4.285 178 2HH1 ARG 20 1HH2 ARG 20 -8.267 13.749 -4.802 179 1HH2 ARG 20 2HH1 ARG 20 -8.779 15.219 -1.565 180 2HH2 ARG 20 1HH1 ARG 20 -8.224 15.556 -3.172 181 H SER 21 HN SER 21 -11.274 6.974 -0.682 182 HA SER 21 HA SER 21 -13.806 5.694 0.029 183 1HB SER 21 2HB SER 21 -13.579 5.718 -2.475 184 2HB SER 21 3HB SER 21 -12.150 4.684 -2.320 185 HG SER 21 HG SER 21 -13.428 3.050 -1.597 186 H ALA 22 HN ALA 22 -12.922 5.300 2.109 187 HA ALA 22 HA ALA 22 -11.832 2.771 2.307 188 1HB ALA 22 1HB ALA 22 -9.813 3.204 3.731 189 2HB ALA 22 2HB ALA 22 -9.556 3.915 2.152 190 3HB ALA 22 3HB ALA 22 -10.014 4.940 3.535 191 H LYS 23 HN LYS 23 -11.459 2.329 4.743 192 HA LYS 23 HA LYS 23 -12.816 4.133 6.536 193 1HB LYS 23 2HB LYS 23 -14.305 1.902 5.750 194 2HB LYS 23 3HB LYS 23 -13.421 1.243 7.095 195 1HG LYS 23 2HG LYS 23 -15.370 2.116 8.116 196 2HG LYS 23 3HG LYS 23 -14.203 3.414 8.376 197 1HD LYS 23 2HD LYS 23 -16.037 4.582 7.543 198 2HD LYS 23 3HD LYS 23 -15.097 4.312 6.042 199 1HE LYS 23 2HE LYS 23 -16.475 2.493 5.385 200 2HE LYS 23 3HE LYS 23 -17.231 2.350 6.985 201 1HZ LYS 23 1HZ LYS 23 -17.532 4.716 5.261 202 2HZ LYS 23 2HZ LYS 23 -18.569 3.470 5.229 203 3HZ LYS 23 3HZ LYS 23 -18.409 4.338 6.631 204 H ALA 24 HN ALA 24 -12.440 2.939 8.822 205 HA ALA 24 HA ALA 24 -9.573 2.556 9.033 206 1HB ALA 24 1HB ALA 24 -9.978 2.132 11.398 207 2HB ALA 24 2HB ALA 24 -10.958 3.526 10.908 208 3HB ALA 24 3HB ALA 24 -11.700 1.935 11.103 209 H GLU 25 HN GLU 25 -12.515 0.491 8.901 210 HA GLU 25 HA GLU 25 -10.939 -1.928 9.196 211 1HB GLU 25 2HB GLU 25 -13.555 -1.253 9.763 212 2HB GLU 25 3HB GLU 25 -13.724 -2.089 8.223 213 1HG GLU 25 2HG GLU 25 -12.249 -3.939 9.341 214 2HG GLU 25 3HG GLU 25 -12.562 -3.079 10.844 215 H ASP 26 HN ASP 26 -9.941 -0.500 7.083 216 HA ASP 26 HA ASP 26 -10.881 -2.132 4.801 217 1HB ASP 26 2HB ASP 26 -10.974 0.522 5.006 218 2HB ASP 26 3HB ASP 26 -9.323 0.410 4.413 219 H LYS 27 HN LYS 27 -8.895 -2.391 3.075 220 HA LYS 27 HA LYS 27 -6.460 -3.164 4.569 221 1HB LYS 27 2HB LYS 27 -8.039 -4.986 2.701 222 2HB LYS 27 3HB LYS 27 -6.524 -5.346 3.509 223 1HG LYS 27 2HG LYS 27 -7.773 -6.370 5.074 224 2HG LYS 27 3HG LYS 27 -8.127 -4.759 5.689 225 1HD LYS 27 2HD LYS 27 -10.144 -4.756 4.060 226 2HD LYS 27 3HD LYS 27 -9.802 -6.467 3.794 227 1HE LYS 27 2HE LYS 27 -10.674 -5.129 6.395 228 2HE LYS 27 3HE LYS 27 -11.575 -6.273 5.393 229 1HZ LYS 27 1HZ LYS 27 -10.783 -7.563 7.080 230 2HZ LYS 27 2HZ LYS 27 -9.692 -7.865 5.910 231 3HZ LYS 27 3HZ LYS 27 -9.310 -6.830 7.162 232 H ILE 28 HN ILE 28 -4.604 -2.695 3.376 233 HA ILE 28 HA ILE 28 -4.774 -2.331 0.499 234 HB ILE 28 HB ILE 28 -3.663 -0.075 2.123 235 1HG1 ILE 28 2HG1 ILE 28 -6.583 0.081 1.254 236 2HG1 ILE 28 3HG1 ILE 28 -6.071 -0.212 2.929 237 1HG2 ILE 28 1HG2 ILE 28 -4.072 1.131 -0.007 238 2HG2 ILE 28 2HG2 ILE 28 -3.323 -0.366 -0.416 239 3HG2 ILE 28 3HG2 ILE 28 -5.069 -0.201 -0.614 240 1HD1 ILE 28 1HD1 ILE 28 -4.863 1.860 3.012 241 2HD1 ILE 28 2HD1 ILE 28 -5.308 2.221 1.337 242 3HD1 ILE 28 3HD1 ILE 28 -6.568 2.127 2.581 243 H VAL 29 HN VAL 29 -2.534 -1.999 -0.357 244 HA VAL 29 HA VAL 29 -0.245 -2.458 1.360 245 HB VAL 29 HB VAL 29 -1.209 -4.468 -0.693 246 1HG1 VAL 29 1HG1 VAL 29 1.659 -4.353 0.311 247 2HG1 VAL 29 2HG1 VAL 29 0.910 -5.680 -0.592 248 3HG1 VAL 29 3HG1 VAL 29 1.112 -4.123 -1.369 249 1HG2 VAL 29 1HG2 VAL 29 -1.897 -5.149 1.407 250 2HG2 VAL 29 2HG2 VAL 29 -0.304 -5.950 1.341 251 3HG2 VAL 29 3HG2 VAL 29 -0.502 -4.456 2.231 252 H LEU 30 HN LEU 30 1.807 -1.996 0.105 253 HA LEU 30 HA LEU 30 1.379 -0.545 -2.478 254 1HB LEU 30 2HB LEU 30 3.790 0.278 -1.001 255 2HB LEU 30 3HB LEU 30 2.655 1.270 -1.896 256 HG LEU 30 HG LEU 30 2.177 0.359 0.971 257 1HD1 LEU 30 1HD1 LEU 30 4.212 1.747 0.872 258 2HD1 LEU 30 2HD1 LEU 30 3.367 2.961 -0.092 259 3HD1 LEU 30 3HD1 LEU 30 2.878 2.655 1.590 260 1HD2 LEU 30 1HD2 LEU 30 0.989 2.512 -0.823 261 2HD2 LEU 30 2HD2 LEU 30 0.157 1.057 -0.291 262 3HD2 LEU 30 3HD2 LEU 30 0.622 2.310 0.902 263 H ILE 31 HN ILE 31 2.826 -0.888 -4.172 264 HA ILE 31 HA ILE 31 5.150 -2.586 -3.580 265 HB ILE 31 HB ILE 31 4.748 -4.175 -5.061 266 1HG1 ILE 31 2HG1 ILE 31 2.766 -2.436 -6.526 267 2HG1 ILE 31 3HG1 ILE 31 4.324 -2.877 -7.088 268 1HG2 ILE 31 1HG2 ILE 31 2.983 -4.183 -3.196 269 2HG2 ILE 31 2HG2 ILE 31 1.819 -3.877 -4.492 270 3HG2 ILE 31 3HG2 ILE 31 2.873 -5.311 -4.510 271 1HD1 ILE 31 1HD1 ILE 31 2.632 -4.110 -8.258 272 2HD1 ILE 31 2HD1 ILE 31 3.813 -5.155 -7.397 273 3HD1 ILE 31 3HD1 ILE 31 2.154 -4.908 -6.769 274 H GLN 32 HN GLN 32 6.310 -2.812 -5.929 275 HA GLN 32 HA GLN 32 7.986 -1.679 -6.894 276 1HB GLN 32 2HB GLN 32 5.633 -0.811 -8.496 277 2HB GLN 32 3HB GLN 32 7.308 -0.747 -9.031 278 1HG GLN 32 2HG GLN 32 6.254 -3.371 -8.110 279 2HG GLN 32 3HG GLN 32 5.681 -2.771 -9.633 280 1HE2 GLN 32 1HE2 GLN 32 8.518 -4.177 -8.024 281 2HE2 GLN 32 2HE2 GLN 32 9.471 -4.214 -9.481 282 H ASN 33 HN ASN 33 6.233 0.916 -8.138 283 HA ASN 33 HA ASN 33 7.754 2.959 -6.578 284 1HB ASN 33 2HB ASN 33 5.831 3.401 -8.944 285 2HB ASN 33 3HB ASN 33 6.610 4.619 -8.054 286 1HD2 ASN 33 1HD2 ASN 33 7.636 1.672 -10.049 287 2HD2 ASN 33 2HD2 ASN 33 9.135 2.483 -10.432 288 H GLY 34 HN GLY 34 4.611 1.494 -6.440 289 1HA GLY 34 1HA GLY 34 2.885 3.444 -5.307 290 2HA GLY 34 2HA GLY 34 2.919 1.726 -5.073 291 H VAL 35 HN VAL 35 5.662 1.595 -3.992 292 HA VAL 35 HA VAL 35 5.246 2.038 -1.258 293 HB VAL 35 HB VAL 35 7.579 1.845 -0.979 294 1HG1 VAL 35 1HG1 VAL 35 6.247 -0.193 -1.641 295 2HG1 VAL 35 2HG1 VAL 35 6.880 0.005 -3.292 296 3HG1 VAL 35 3HG1 VAL 35 7.987 -0.296 -1.939 297 1HG2 VAL 35 1HG2 VAL 35 7.763 2.504 -3.954 298 2HG2 VAL 35 2HG2 VAL 35 8.598 3.272 -2.591 299 3HG2 VAL 35 3HG2 VAL 35 9.062 1.640 -3.122 300 H PHE 36 HN PHE 36 6.045 4.538 -3.685 301 HA PHE 36 HA PHE 36 6.888 6.601 -2.053 302 1HB PHE 36 2HB PHE 36 5.062 6.551 -4.477 303 2HB PHE 36 3HB PHE 36 5.638 8.020 -3.754 304 HD1 PHE 36 HD1 PHE 36 6.259 8.416 -6.166 305 HD2 PHE 36 HD2 PHE 36 8.333 5.550 -3.681 306 HE1 PHE 36 HE1 PHE 36 8.231 8.514 -7.663 307 HE2 PHE 36 HE2 PHE 36 10.288 5.698 -5.162 308 HZ PHE 36 HZ PHE 36 10.254 7.157 -7.157 309 H TRP 37 HN TRP 37 3.745 5.104 -1.793 310 HA TRP 37 HA TRP 37 2.427 7.470 -0.700 311 1HB TRP 37 2HB TRP 37 1.738 4.540 -0.440 312 2HB TRP 37 3HB TRP 37 0.799 5.830 0.286 313 HD1 TRP 37 HD1 TRP 37 1.264 4.034 -2.954 314 HE1 TRP 37 HE1 TRP 37 -0.123 5.025 -4.775 315 HE3 TRP 37 HE3 TRP 37 -0.567 8.056 -0.404 316 HZ2 TRP 37 HZ2 TRP 37 -2.319 7.087 -4.942 317 HZ3 TRP 37 HZ3 TRP 37 -2.301 9.491 -1.402 318 HH2 TRP 37 HH2 TRP 37 -3.287 8.931 -3.640 319 H ALA 38 HN ALA 38 4.772 5.208 0.608 320 HA ALA 38 HA ALA 38 3.954 5.530 3.403 321 1HB ALA 38 1HB ALA 38 5.902 4.140 3.817 322 2HB ALA 38 2HB ALA 38 5.038 3.469 2.421 323 3HB ALA 38 3HB ALA 38 6.511 4.427 2.175 324 H LEU 39 HN LEU 39 4.341 7.995 2.161 325 HA LEU 39 HA LEU 39 6.127 9.559 3.731 326 1HB LEU 39 2HB LEU 39 7.889 9.905 2.002 327 2HB LEU 39 3HB LEU 39 7.872 8.419 2.916 328 HG LEU 39 HG LEU 39 6.530 7.577 0.657 329 1HD1 LEU 39 1HD1 LEU 39 6.925 9.658 -0.550 330 2HD1 LEU 39 2HD1 LEU 39 8.679 9.507 -0.256 331 3HD1 LEU 39 3HD1 LEU 39 7.817 8.331 -1.277 332 1HD2 LEU 39 1HD2 LEU 39 8.273 6.358 1.823 333 2HD2 LEU 39 2HD2 LEU 39 8.626 6.439 0.097 334 3HD2 LEU 39 3HD2 LEU 39 9.486 7.503 1.250 335 H GLU 40 HN GLU 40 3.504 9.680 3.028 336 HA GLU 40 HA GLU 40 3.269 12.070 1.295 337 1HB GLU 40 2HB GLU 40 1.353 9.868 2.122 338 2HB GLU 40 3HB GLU 40 0.786 11.349 1.347 339 1HG GLU 40 2HG GLU 40 2.908 9.590 0.082 340 2HG GLU 40 3HG GLU 40 1.192 9.274 -0.100 341 H GLU 41 HN GLU 41 1.025 13.141 2.244 342 HA GLU 41 HA GLU 41 1.783 14.164 4.908 343 1HB GLU 41 2HB GLU 41 1.058 16.346 4.042 344 2HB GLU 41 3HB GLU 41 2.414 15.671 3.151 345 1HG GLU 41 2HG GLU 41 0.526 14.757 1.486 346 2HG GLU 41 3HG GLU 41 -0.487 15.960 2.263 347 H LEU 42 HN LEU 42 0.154 12.124 5.035 348 HA LEU 42 HA LEU 42 -2.486 13.156 5.864 349 1HB LEU 42 2HB LEU 42 -1.733 11.884 3.308 350 2HB LEU 42 3HB LEU 42 -2.979 10.949 4.143 351 HG LEU 42 HG LEU 42 -3.764 13.706 4.316 352 1HD1 LEU 42 1HD1 LEU 42 -2.118 14.119 2.400 353 2HD1 LEU 42 2HD1 LEU 42 -3.160 13.111 1.411 354 3HD1 LEU 42 3HD1 LEU 42 -3.796 14.593 2.123 355 1HD2 LEU 42 1HD2 LEU 42 -5.318 11.996 4.213 356 2HD2 LEU 42 2HD2 LEU 42 -5.572 13.012 2.785 357 3HD2 LEU 42 3HD2 LEU 42 -4.763 11.455 2.598 358 H GLU 43 HN GLU 43 -3.346 10.258 5.676 359 HA GLU 43 HA GLU 43 -1.768 8.839 7.535 360 1HB GLU 43 2HB GLU 43 -3.380 8.812 9.383 361 2HB GLU 43 3HB GLU 43 -2.783 10.457 9.149 362 1HG GLU 43 2HG GLU 43 -4.858 11.000 7.842 363 2HG GLU 43 3HG GLU 43 -5.425 9.380 8.128 364 H THR 44 HN THR 44 -2.903 6.823 7.916 365 HA THR 44 HA THR 44 -5.428 6.253 6.439 366 HB THR 44 HB THR 44 -3.659 5.036 5.291 367 HG1 THR 44 HG1 THR 44 -4.434 2.864 6.322 368 1HG2 THR 44 1HG2 THR 44 -2.001 3.809 6.289 369 2HG2 THR 44 2HG2 THR 44 -2.193 4.943 7.587 370 3HG2 THR 44 3HG2 THR 44 -2.996 3.382 7.715 371 HA PRO 45 HA PRO 45 -6.133 4.224 10.371 372 1HB PRO 45 2HB PRO 45 -8.787 4.178 10.367 373 2HB PRO 45 3HB PRO 45 -7.935 5.723 10.475 374 1HG PRO 45 2HG PRO 45 -9.287 4.494 8.054 375 2HG PRO 45 3HG PRO 45 -9.278 6.194 8.589 376 1HD PRO 45 2HD PRO 45 -7.538 4.947 6.729 377 2HD PRO 45 3HD PRO 45 -7.332 6.577 7.458 378 H ALA 46 HN ALA 46 -6.566 3.163 7.160 379 HA ALA 46 HA ALA 46 -7.632 0.475 7.615 380 1HB ALA 46 1HB ALA 46 -8.035 1.816 5.506 381 2HB ALA 46 2HB ALA 46 -6.291 1.780 5.188 382 3HB ALA 46 3HB ALA 46 -7.194 0.272 5.204 383 H LYS 47 HN LYS 47 -6.143 -1.516 6.905 384 HA LYS 47 HA LYS 47 -3.605 -1.114 8.243 385 1HB LYS 47 2HB LYS 47 -3.461 -3.465 8.172 386 2HB LYS 47 3HB LYS 47 -5.029 -3.020 8.831 387 1HG LYS 47 2HG LYS 47 -6.029 -3.459 6.659 388 2HG LYS 47 3HG LYS 47 -4.459 -3.873 5.998 389 1HD LYS 47 2HD LYS 47 -6.442 -5.402 7.613 390 2HD LYS 47 3HD LYS 47 -5.489 -5.768 6.132 391 1HE LYS 47 2HE LYS 47 -3.544 -6.184 7.372 392 2HE LYS 47 3HE LYS 47 -4.243 -5.456 8.832 393 1HZ LYS 47 1HZ LYS 47 -5.085 -8.062 7.633 394 2HZ LYS 47 2HZ LYS 47 -3.981 -7.933 8.795 395 3HZ LYS 47 3HZ LYS 47 -5.523 -7.466 9.129 396 H VAL 48 HN VAL 48 -1.883 -0.260 7.032 397 HA VAL 48 HA VAL 48 -1.803 -0.833 4.174 398 HB VAL 48 HB VAL 48 -0.365 1.155 4.281 399 1HG1 VAL 48 1HG1 VAL 48 -3.137 1.677 5.435 400 2HG1 VAL 48 2HG1 VAL 48 -2.199 2.777 4.399 401 3HG1 VAL 48 3HG1 VAL 48 -2.814 1.245 3.753 402 1HG2 VAL 48 1HG2 VAL 48 -0.111 2.624 6.086 403 2HG2 VAL 48 2HG2 VAL 48 -1.254 1.699 7.086 404 3HG2 VAL 48 3HG2 VAL 48 0.332 1.023 6.667 405 H TYR 49 HN TYR 49 0.264 -1.334 3.392 406 HA TYR 49 HA TYR 49 2.458 -1.988 5.180 407 1HB TYR 49 2HB TYR 49 1.032 -4.183 3.650 408 2HB TYR 49 3HB TYR 49 2.459 -4.344 4.637 409 HD1 TYR 49 HD1 TYR 49 2.254 -4.358 7.135 410 HD2 TYR 49 HD2 TYR 49 -1.299 -4.274 4.626 411 HE1 TYR 49 HE1 TYR 49 0.900 -4.969 9.050 412 HE2 TYR 49 HE2 TYR 49 -2.590 -4.904 6.473 413 HH TYR 49 HH TYR 49 -1.272 -5.106 9.820 414 H ALA 50 HN ALA 50 4.286 -1.569 3.833 415 HA ALA 50 HA ALA 50 3.802 -1.619 0.882 416 1HB ALA 50 1HB ALA 50 5.552 -0.272 0.570 417 2HB ALA 50 2HB ALA 50 5.289 0.185 2.263 418 3HB ALA 50 3HB ALA 50 6.521 -1.025 1.816 419 H ILE 51 HN ILE 51 5.103 -2.984 -0.407 420 HA ILE 51 HA ILE 51 6.042 -5.527 0.784 421 HB ILE 51 HB ILE 51 5.907 -4.432 -2.061 422 1HG1 ILE 51 2HG1 ILE 51 3.720 -4.983 -1.339 423 2HG1 ILE 51 3HG1 ILE 51 4.314 -6.272 -2.367 424 1HG2 ILE 51 1HG2 ILE 51 6.570 -6.568 -2.829 425 2HG2 ILE 51 2HG2 ILE 51 7.845 -5.983 -1.780 426 3HG2 ILE 51 3HG2 ILE 51 6.749 -7.219 -1.188 427 1HD1 ILE 51 1HD1 ILE 51 3.902 -6.275 0.648 428 2HD1 ILE 51 2HD1 ILE 51 3.095 -7.273 -0.550 429 3HD1 ILE 51 3HD1 ILE 51 4.791 -7.555 -0.178 430 H LYS 52 HN LYS 52 7.704 -5.518 1.857 431 HA LYS 52 HA LYS 52 9.726 -3.643 1.883 432 1HB LYS 52 2HB LYS 52 9.270 -5.463 3.569 433 2HB LYS 52 3HB LYS 52 10.030 -6.636 2.491 434 1HG LYS 52 2HG LYS 52 12.127 -5.262 2.568 435 2HG LYS 52 3HG LYS 52 11.313 -4.037 3.530 436 1HD LYS 52 2HD LYS 52 12.633 -5.218 5.014 437 2HD LYS 52 3HD LYS 52 10.990 -5.777 5.348 438 1HE LYS 52 2HE LYS 52 11.413 -7.865 4.156 439 2HE LYS 52 3HE LYS 52 12.966 -7.251 3.542 440 1HZ LYS 52 1HZ LYS 52 12.334 -7.892 6.360 441 2HZ LYS 52 2HZ LYS 52 13.376 -8.680 5.378 442 3HZ LYS 52 3HZ LYS 52 13.728 -7.151 5.870 443 H ASP 53 HN ASP 53 9.726 -6.740 0.061 444 HA ASP 53 HA ASP 53 12.224 -6.401 -1.097 445 1HB ASP 53 2HB ASP 53 9.867 -8.065 -1.661 446 2HB ASP 53 3HB ASP 53 10.713 -7.618 -3.149 447 H ASP 54 HN ASP 54 9.098 -5.129 -2.551 448 HA ASP 54 HA ASP 54 10.529 -3.932 -4.655 449 1HB ASP 54 2HB ASP 54 7.745 -3.822 -3.527 450 2HB ASP 54 3HB ASP 54 8.268 -2.450 -4.498 451 H PHE 55 HN PHE 55 9.841 -2.741 -1.372 452 HA PHE 55 HA PHE 55 10.492 -0.011 -1.944 453 1HB PHE 55 2HB PHE 55 9.313 -1.094 0.109 454 2HB PHE 55 3HB PHE 55 10.918 -1.465 0.689 455 HD1 PHE 55 HD1 PHE 55 11.189 -0.086 2.615 456 HD2 PHE 55 HD2 PHE 55 9.703 1.690 -0.986 457 HE1 PHE 55 HE1 PHE 55 11.294 2.142 3.650 458 HE2 PHE 55 HE2 PHE 55 9.535 3.878 0.143 459 HZ PHE 55 HZ PHE 55 10.378 4.127 2.463 460 H LEU 56 HN LEU 56 12.337 -2.764 -0.786 461 HA LEU 56 HA LEU 56 14.932 -1.569 -0.484 462 1HB LEU 56 2HB LEU 56 14.042 -4.390 -1.246 463 2HB LEU 56 3HB LEU 56 15.671 -3.953 -0.814 464 HG LEU 56 HG LEU 56 13.309 -3.608 1.060 465 1HD1 LEU 56 1HD1 LEU 56 13.600 -6.008 0.583 466 2HD1 LEU 56 2HD1 LEU 56 15.355 -5.885 0.776 467 3HD1 LEU 56 3HD1 LEU 56 14.302 -5.696 2.182 468 1HD2 LEU 56 1HD2 LEU 56 15.022 -3.497 2.829 469 2HD2 LEU 56 2HD2 LEU 56 16.285 -3.692 1.607 470 3HD2 LEU 56 3HD2 LEU 56 15.311 -2.221 1.623 471 H ALA 57 HN ALA 57 13.278 -3.228 -3.175 472 HA ALA 57 HA ALA 57 15.397 -2.730 -5.037 473 1HB ALA 57 1HB ALA 57 13.848 -3.589 -6.715 474 2HB ALA 57 2HB ALA 57 13.752 -4.589 -5.268 475 3HB ALA 57 3HB ALA 57 12.480 -3.391 -5.608 476 H ARG 58 HN ARG 58 13.313 -0.521 -3.594 477 HA ARG 58 HA ARG 58 13.502 1.362 -5.944 478 1HB ARG 58 2HB ARG 58 11.188 0.707 -4.877 479 2HB ARG 58 3HB ARG 58 11.702 1.535 -3.499 480 1HG ARG 58 2HG ARG 58 10.388 3.086 -4.527 481 2HG ARG 58 3HG ARG 58 11.945 3.613 -5.136 482 1HD ARG 58 2HD ARG 58 9.956 1.813 -6.587 483 2HD ARG 58 3HD ARG 58 10.070 3.540 -6.785 484 HE ARG 58 HE ARG 58 12.300 3.345 -7.669 485 1HH1 ARG 58 2HH2 ARG 58 10.778 0.044 -7.492 486 2HH1 ARG 58 1HH2 ARG 58 11.564 -0.448 -8.927 487 1HH2 ARG 58 2HH1 ARG 58 13.406 2.444 -9.495 488 2HH2 ARG 58 1HH1 ARG 58 13.000 0.839 -10.040 489 H GLY 59 HN GLY 59 15.668 0.561 -4.019 490 1HA GLY 59 1HA GLY 59 17.444 1.645 -3.117 491 2HA GLY 59 2HA GLY 59 16.837 3.123 -3.870 492 H TYR 60 HN TYR 60 14.793 1.522 -1.358 493 HA TYR 60 HA TYR 60 15.272 3.881 0.384 494 1HB TYR 60 2HB TYR 60 12.999 1.879 0.107 495 2HB TYR 60 3HB TYR 60 13.181 2.921 1.491 496 HD1 TYR 60 HD1 TYR 60 12.677 5.261 1.480 497 HD2 TYR 60 HD2 TYR 60 12.209 2.854 -2.068 498 HE1 TYR 60 HE1 TYR 60 11.471 7.091 0.417 499 HE2 TYR 60 HE2 TYR 60 10.904 4.702 -3.114 500 HH TYR 60 HH TYR 60 10.349 7.805 -1.462 501 H SER 61 HN SER 61 14.959 3.214 2.760 502 HA SER 61 HA SER 61 16.159 0.567 3.378 503 1HB SER 61 2HB SER 61 17.638 2.668 3.732 504 2HB SER 61 3HB SER 61 16.509 3.081 5.056 505 HG SER 61 HG SER 61 18.227 1.963 5.854 506 H GLU 62 HN GLU 62 15.508 -0.091 5.672 507 HA GLU 62 HA GLU 62 12.689 -0.315 5.335 508 1HB GLU 62 2HB GLU 62 14.508 -1.437 7.508 509 2HB GLU 62 3HB GLU 62 12.861 -1.961 7.186 510 1HG GLU 62 2HG GLU 62 13.455 -2.822 5.015 511 2HG GLU 62 3HG GLU 62 15.033 -2.062 5.048 512 H GLU 63 HN GLU 63 14.674 1.669 7.380 513 HA GLU 63 HA GLU 63 12.532 2.370 9.223 514 1HB GLU 63 2HB GLU 63 15.054 2.307 9.659 515 2HB GLU 63 3HB GLU 63 15.173 3.792 8.744 516 1HG GLU 63 2HG GLU 63 13.803 5.007 10.332 517 2HG GLU 63 3HG GLU 63 13.245 3.504 11.075 518 H ASP 64 HN ASP 64 13.331 3.321 5.983 519 HA ASP 64 HA ASP 64 12.690 6.123 6.186 520 1HB ASP 64 2HB ASP 64 12.600 4.293 3.755 521 2HB ASP 64 3HB ASP 64 12.478 6.040 3.729 522 H SER 65 HN SER 65 10.800 3.202 5.736 523 HA SER 65 HA SER 65 8.560 4.508 4.449 524 1HB SER 65 2HB SER 65 9.054 2.167 4.034 525 2HB SER 65 3HB SER 65 8.982 1.754 5.732 526 HG SER 65 HG SER 65 6.938 1.528 5.547 527 H LYS 66 HN LYS 66 6.994 5.755 5.699 528 HA LYS 66 HA LYS 66 6.824 5.234 8.617 529 1HB LYS 66 2HB LYS 66 5.518 7.124 8.740 530 2HB LYS 66 3HB LYS 66 6.611 7.471 7.419 531 1HG LYS 66 2HG LYS 66 4.354 6.449 6.094 532 2HG LYS 66 3HG LYS 66 3.647 7.291 7.492 533 1HD LYS 66 2HD LYS 66 5.189 9.248 6.846 534 2HD LYS 66 3HD LYS 66 5.542 8.283 5.414 535 1HE LYS 66 2HE LYS 66 3.964 9.989 4.822 536 2HE LYS 66 3HE LYS 66 3.141 8.427 4.733 537 1HZ LYS 66 1HZ LYS 66 2.944 10.199 7.103 538 2HZ LYS 66 2HZ LYS 66 1.894 10.213 5.791 539 3HZ LYS 66 3HZ LYS 66 1.971 8.906 6.652 540 H VAL 67 HN VAL 67 6.232 2.916 7.038 541 HA VAL 67 HA VAL 67 3.610 2.208 8.024 542 HB VAL 67 HB VAL 67 2.503 1.729 6.078 543 1HG1 VAL 67 1HG1 VAL 67 3.894 4.333 5.326 544 2HG1 VAL 67 2HG1 VAL 67 2.408 3.674 4.605 545 3HG1 VAL 67 3HG1 VAL 67 2.446 4.089 6.317 546 1HG2 VAL 67 1HG2 VAL 67 4.843 2.073 4.227 547 2HG2 VAL 67 2HG2 VAL 67 4.359 0.510 4.874 548 3HG2 VAL 67 3HG2 VAL 67 3.234 1.433 3.872 549 HA PRO 68 HA PRO 68 5.991 -1.379 8.533 550 1HB PRO 68 2HB PRO 68 4.201 -3.463 8.495 551 2HB PRO 68 3HB PRO 68 4.196 -2.215 9.782 552 1HG PRO 68 2HG PRO 68 2.501 -2.316 7.307 553 2HG PRO 68 3HG PRO 68 1.968 -1.974 8.984 554 1HD PRO 68 2HD PRO 68 2.444 -0.119 7.045 555 2HD PRO 68 3HD PRO 68 2.723 0.235 8.766 556 H LEU 69 HN LEU 69 6.925 -3.203 7.536 557 HA LEU 69 HA LEU 69 6.683 -3.164 4.548 558 1HB LEU 69 2HB LEU 69 9.071 -3.069 6.418 559 2HB LEU 69 3HB LEU 69 9.237 -3.407 4.686 560 HG LEU 69 HG LEU 69 8.302 -0.820 5.978 561 1HD1 LEU 69 1HD1 LEU 69 10.709 -1.322 6.120 562 2HD1 LEU 69 2HD1 LEU 69 10.781 -1.577 4.369 563 3HD1 LEU 69 3HD1 LEU 69 10.413 0.033 5.030 564 1HD2 LEU 69 1HD2 LEU 69 8.467 0.004 3.548 565 2HD2 LEU 69 2HD2 LEU 69 8.432 -1.698 3.065 566 3HD2 LEU 69 3HD2 LEU 69 7.067 -0.978 3.978 567 H ILE 70 HN ILE 70 5.499 -4.850 4.355 568 HA ILE 70 HA ILE 70 6.196 -7.323 5.780 569 HB ILE 70 HB ILE 70 4.087 -8.079 5.148 570 1HG1 ILE 70 2HG1 ILE 70 3.641 -5.683 3.329 571 2HG1 ILE 70 3HG1 ILE 70 3.920 -7.330 2.820 572 1HG2 ILE 70 1HG2 ILE 70 3.876 -5.218 6.097 573 2HG2 ILE 70 2HG2 ILE 70 2.659 -6.516 6.314 574 3HG2 ILE 70 3HG2 ILE 70 4.225 -6.649 7.062 575 1HD1 ILE 70 1HD1 ILE 70 1.565 -6.771 2.679 576 2HD1 ILE 70 2HD1 ILE 70 1.868 -8.103 3.803 577 3HD1 ILE 70 3HD1 ILE 70 1.485 -6.511 4.429 578 H THR 71 HN THR 71 5.821 -9.387 4.400 579 HA THR 71 HA THR 71 7.622 -9.250 2.094 580 HB THR 71 HB THR 71 7.252 -11.744 2.200 581 HG1 THR 71 HG1 THR 71 6.277 -12.187 4.507 582 1HG2 THR 71 1HG2 THR 71 9.122 -10.679 3.436 583 2HG2 THR 71 2HG2 THR 71 8.091 -10.492 4.868 584 3HG2 THR 71 3HG2 THR 71 8.518 -12.111 4.290 585 H TYR 72 HN TYR 72 6.821 -10.324 0.017 586 HA TYR 72 HA TYR 72 4.223 -9.592 -0.898 587 1HB TYR 72 2HB TYR 72 6.359 -11.540 -1.773 588 2HB TYR 72 3HB TYR 72 4.758 -11.711 -2.427 589 HD1 TYR 72 HD1 TYR 72 3.748 -10.140 -3.942 590 HD2 TYR 72 HD2 TYR 72 7.726 -9.456 -2.428 591 HE1 TYR 72 HE1 TYR 72 4.187 -8.619 -5.819 592 HE2 TYR 72 HE2 TYR 72 8.218 -8.008 -4.374 593 HH TYR 72 HH TYR 72 6.722 -6.444 -6.031 594 H SER 73 HN SER 73 5.230 -12.427 1.074 595 HA SER 73 HA SER 73 2.859 -13.896 0.517 596 1HB SER 73 2HB SER 73 4.643 -14.252 2.926 597 2HB SER 73 3HB SER 73 3.606 -15.419 2.070 598 HG SER 73 HG SER 73 5.645 -15.791 1.279 599 H GLU 74 HN GLU 74 3.741 -11.670 3.219 600 HA GLU 74 HA GLU 74 1.394 -12.128 4.842 601 1HB GLU 74 2HB GLU 74 3.441 -9.941 4.518 602 2HB GLU 74 3HB GLU 74 1.974 -9.656 5.462 603 1HG GLU 74 2HG GLU 74 2.599 -11.780 6.774 604 2HG GLU 74 3HG GLU 74 4.194 -11.620 5.999 605 H PHE 75 HN PHE 75 2.079 -10.124 1.919 606 HA PHE 75 HA PHE 75 -0.359 -8.673 2.071 607 1HB PHE 75 2HB PHE 75 1.187 -7.864 0.538 608 2HB PHE 75 3HB PHE 75 1.471 -9.403 -0.201 609 HD1 PHE 75 HD1 PHE 75 -1.648 -7.297 0.383 610 HD2 PHE 75 HD2 PHE 75 0.696 -9.586 -2.407 611 HE1 PHE 75 HE1 PHE 75 -3.033 -6.433 -1.468 612 HE2 PHE 75 HE2 PHE 75 -0.748 -8.794 -4.251 613 HZ PHE 75 HZ PHE 75 -2.574 -7.162 -3.798 614 H ILE 76 HN ILE 76 0.369 -11.831 0.459 615 HA ILE 76 HA ILE 76 -2.135 -12.277 -0.721 616 HB ILE 76 HB ILE 76 -0.218 -14.350 0.535 617 1HG1 ILE 76 2HG1 ILE 76 1.144 -13.316 -0.970 618 2HG1 ILE 76 3HG1 ILE 76 0.495 -14.634 -1.903 619 1HG2 ILE 76 1HG2 ILE 76 -2.440 -15.345 0.007 620 2HG2 ILE 76 2HG2 ILE 76 -2.325 -14.722 -1.646 621 3HG2 ILE 76 3HG2 ILE 76 -1.191 -15.957 -1.068 622 1HD1 ILE 76 1HD1 ILE 76 -0.266 -11.708 -2.128 623 2HD1 ILE 76 2HD1 ILE 76 0.548 -12.721 -3.330 624 3HD1 ILE 76 3HD1 ILE 76 -1.160 -13.024 -2.928 625 H ASP 77 HN ASP 77 -1.267 -12.897 2.673 626 HA ASP 77 HA ASP 77 -3.632 -14.306 3.454 627 1HB ASP 77 2HB ASP 77 -1.852 -14.324 4.913 628 2HB ASP 77 3HB ASP 77 -1.522 -12.611 4.830 629 H LEU 78 HN LEU 78 -2.990 -10.872 2.958 630 HA LEU 78 HA LEU 78 -5.287 -9.951 4.409 631 1HB LEU 78 2HB LEU 78 -3.779 -8.524 2.175 632 2HB LEU 78 3HB LEU 78 -4.853 -7.781 3.345 633 HG LEU 78 HG LEU 78 -2.224 -9.123 4.055 634 1HD1 LEU 78 1HD1 LEU 78 -1.940 -7.053 2.783 635 2HD1 LEU 78 2HD1 LEU 78 -2.957 -6.173 3.946 636 3HD1 LEU 78 3HD1 LEU 78 -1.397 -6.885 4.455 637 1HD2 LEU 78 1HD2 LEU 78 -4.304 -7.651 5.684 638 2HD2 LEU 78 2HD2 LEU 78 -3.703 -9.313 5.921 639 3HD2 LEU 78 3HD2 LEU 78 -2.629 -7.954 6.262 640 H LEU 79 HN LEU 79 -4.718 -11.085 1.069 641 HA LEU 79 HA LEU 79 -7.212 -10.229 -0.019 642 1HB LEU 79 2HB LEU 79 -5.234 -12.252 -0.993 643 2HB LEU 79 3HB LEU 79 -6.671 -11.730 -1.845 644 HG LEU 79 HG LEU 79 -4.804 -10.654 -2.711 645 1HD1 LEU 79 1HD1 LEU 79 -6.120 -8.559 -0.955 646 2HD1 LEU 79 2HD1 LEU 79 -5.376 -8.298 -2.527 647 3HD1 LEU 79 3HD1 LEU 79 -6.893 -9.255 -2.375 648 1HD2 LEU 79 1HD2 LEU 79 -3.072 -9.643 -1.749 649 2HD2 LEU 79 2HD2 LEU 79 -3.970 -9.160 -0.287 650 3HD2 LEU 79 3HD2 LEU 79 -3.485 -10.833 -0.535 651 H GLU 80 HN GLU 80 -6.367 -13.575 -0.313 652 HA GLU 80 HA GLU 80 -7.590 -15.401 -0.233 653 1HB GLU 80 2HB GLU 80 -7.567 -14.591 2.696 654 2HB GLU 80 3HB GLU 80 -8.004 -16.205 2.112 655 1HG GLU 80 2HG GLU 80 -5.392 -14.787 1.558 656 2HG GLU 80 3HG GLU 80 -5.535 -16.029 2.780 657 H GLY 81 HN GLY 81 -9.126 -13.825 -1.444 658 1HA GLY 81 1HA GLY 81 -11.383 -13.857 -2.124 659 2HA GLY 81 2HA GLY 81 -11.838 -14.570 -0.580 660 H GLU 82 HN GLU 82 -9.971 -11.584 -1.169 661 HA GLU 82 HA GLU 82 -12.270 -9.887 -0.363 662 1HB GLU 82 2HB GLU 82 -9.514 -9.913 0.904 663 2HB GLU 82 3HB GLU 82 -10.451 -8.436 0.823 664 1HG GLU 82 2HG GLU 82 -11.655 -10.938 2.030 665 2HG GLU 82 3HG GLU 82 -10.683 -9.791 2.951 666 H GLU 83 HN GLU 83 -11.814 -10.499 -2.835 667 HA GLU 83 HA GLU 83 -9.531 -9.226 -3.938 668 1HB GLU 83 2HB GLU 83 -10.935 -11.495 -4.530 669 2HB GLU 83 3HB GLU 83 -11.547 -10.414 -5.767 670 1HG GLU 83 2HG GLU 83 -8.893 -9.878 -5.995 671 2HG GLU 83 3HG GLU 83 -8.823 -11.521 -5.333 672 H LYS 84 HN LYS 84 -10.322 -7.200 -3.006 673 HA LYS 84 HA LYS 84 -10.965 -5.465 -5.265 674 1HB LYS 84 2HB LYS 84 -12.859 -4.323 -4.040 675 2HB LYS 84 3HB LYS 84 -13.107 -5.945 -4.670 676 1HG LYS 84 2HG LYS 84 -14.298 -5.772 -2.676 677 2HG LYS 84 3HG LYS 84 -13.000 -6.918 -2.469 678 1HD LYS 84 2HD LYS 84 -12.216 -4.272 -1.460 679 2HD LYS 84 3HD LYS 84 -13.748 -4.810 -0.773 680 1HE LYS 84 2HE LYS 84 -12.750 -6.997 -0.195 681 2HE LYS 84 3HE LYS 84 -11.184 -6.463 -0.807 682 1HZ LYS 84 1HZ LYS 84 -11.484 -6.278 1.608 683 2HZ LYS 84 2HZ LYS 84 -11.176 -4.752 0.928 684 3HZ LYS 84 3HZ LYS 84 -12.664 -5.221 1.444 685 H PHE 85 HN PHE 85 -8.537 -5.834 -3.605 686 HA PHE 85 HA PHE 85 -8.143 -2.986 -3.655 687 1HB PHE 85 2HB PHE 85 -7.206 -2.708 -1.412 688 2HB PHE 85 3HB PHE 85 -8.838 -3.289 -1.249 689 HD1 PHE 85 HD1 PHE 85 -5.308 -4.005 -0.578 690 HD2 PHE 85 HD2 PHE 85 -9.249 -5.744 -0.634 691 HE1 PHE 85 HE1 PHE 85 -4.508 -5.831 0.868 692 HE2 PHE 85 HE2 PHE 85 -8.413 -7.602 0.808 693 HZ PHE 85 HZ PHE 85 -6.084 -7.627 1.547 694 H ILE 86 HN ILE 86 -7.215 -5.045 -5.288 695 HA ILE 86 HA ILE 86 -4.745 -5.978 -4.197 696 HB ILE 86 HB ILE 86 -5.270 -6.470 -7.074 697 1HG1 ILE 86 2HG1 ILE 86 -7.618 -6.495 -6.310 698 2HG1 ILE 86 3HG1 ILE 86 -7.069 -8.081 -6.713 699 1HG2 ILE 86 1HG2 ILE 86 -4.747 -8.222 -4.647 700 2HG2 ILE 86 2HG2 ILE 86 -4.828 -8.806 -6.332 701 3HG2 ILE 86 3HG2 ILE 86 -3.555 -7.684 -5.829 702 1HD1 ILE 86 1HD1 ILE 86 -8.443 -7.592 -4.528 703 2HD1 ILE 86 2HD1 ILE 86 -7.176 -8.832 -4.479 704 3HD1 ILE 86 3HD1 ILE 86 -6.908 -7.215 -3.801 705 H GLY 87 HN GLY 87 -2.799 -6.050 -6.134 706 1HA GLY 87 1HA GLY 87 -2.504 -4.483 -8.096 707 2HA GLY 87 2HA GLY 87 -2.306 -3.232 -6.842 Start of MODEL 2 1 1H MET 1 HN MET 1 -12.610 -1.801 12.025 2 HA MET 1 HA MET 1 -14.681 -2.611 10.113 3 1HB MET 1 2HB MET 1 -15.645 -0.374 10.236 4 2HB MET 1 3HB MET 1 -15.683 -1.237 11.769 5 1HG MET 1 2HG MET 1 -13.486 0.110 12.307 6 2HG MET 1 3HG MET 1 -14.027 1.166 10.991 7 1HE MET 1 1HE MET 1 -14.810 3.419 13.941 8 2HE MET 1 2HE MET 1 -13.415 2.326 13.778 9 3HE MET 1 3HE MET 1 -14.028 3.215 12.367 10 H ALA 2 HN ALA 2 -12.595 0.408 10.157 11 HA ALA 2 HA ALA 2 -12.087 -0.101 7.307 12 1HB ALA 2 1HB ALA 2 -12.928 2.106 8.099 13 2HB ALA 2 2HB ALA 2 -11.461 2.304 9.092 14 3HB ALA 2 3HB ALA 2 -11.351 2.224 7.322 15 H LEU 3 HN LEU 3 -9.894 0.235 6.496 16 HA LEU 3 HA LEU 3 -7.780 -0.927 8.265 17 1HB LEU 3 2HB LEU 3 -8.231 -1.239 5.263 18 2HB LEU 3 3HB LEU 3 -6.850 -1.864 6.155 19 HG LEU 3 HG LEU 3 -9.724 -2.651 6.842 20 1HD1 LEU 3 1HD1 LEU 3 -9.149 -3.281 4.484 21 2HD1 LEU 3 2HD1 LEU 3 -7.829 -4.297 5.141 22 3HD1 LEU 3 3HD1 LEU 3 -9.518 -4.626 5.553 23 1HD2 LEU 3 1HD2 LEU 3 -7.001 -3.867 7.534 24 2HD2 LEU 3 2HD2 LEU 3 -8.149 -3.102 8.654 25 3HD2 LEU 3 3HD2 LEU 3 -8.568 -4.632 7.875 26 H VAL 4 HN VAL 4 -7.141 1.043 9.008 27 HA VAL 4 HA VAL 4 -6.380 3.178 7.081 28 HB VAL 4 HB VAL 4 -7.758 3.160 9.786 29 1HG1 VAL 4 1HG1 VAL 4 -6.163 5.323 8.508 30 2HG1 VAL 4 2HG1 VAL 4 -7.767 5.804 9.195 31 3HG1 VAL 4 3HG1 VAL 4 -6.517 5.011 10.187 32 1HG2 VAL 4 1HG2 VAL 4 -9.531 4.289 8.529 33 2HG2 VAL 4 2HG2 VAL 4 -8.537 4.264 7.054 34 3HG2 VAL 4 3HG2 VAL 4 -9.136 2.755 7.752 35 H LEU 5 HN LEU 5 -4.507 1.184 7.655 36 HA LEU 5 HA LEU 5 -2.447 2.674 8.929 37 1HB LEU 5 2HB LEU 5 -2.104 0.845 10.776 38 2HB LEU 5 3HB LEU 5 -3.136 2.219 11.030 39 HG LEU 5 HG LEU 5 -4.769 0.013 9.952 40 1HD1 LEU 5 1HD1 LEU 5 -3.033 -0.674 12.323 41 2HD1 LEU 5 2HD1 LEU 5 -4.623 -1.420 12.030 42 3HD1 LEU 5 3HD1 LEU 5 -3.355 -1.605 10.838 43 1HD2 LEU 5 1HD2 LEU 5 -5.596 1.973 11.233 44 2HD2 LEU 5 2HD2 LEU 5 -6.077 0.430 11.952 45 3HD2 LEU 5 3HD2 LEU 5 -4.734 1.371 12.657 46 H VAL 6 HN VAL 6 -0.641 1.815 7.710 47 HA VAL 6 HA VAL 6 -0.591 -1.116 7.523 48 HB VAL 6 HB VAL 6 -1.707 -0.449 5.504 49 1HG1 VAL 6 1HG1 VAL 6 -0.897 1.785 5.195 50 2HG1 VAL 6 2HG1 VAL 6 0.715 1.179 4.799 51 3HG1 VAL 6 3HG1 VAL 6 -0.663 0.765 3.778 52 1HG2 VAL 6 1HG2 VAL 6 0.123 -1.515 3.918 53 2HG2 VAL 6 2HG2 VAL 6 0.910 -1.867 5.463 54 3HG2 VAL 6 3HG2 VAL 6 -0.705 -2.444 5.188 55 H LYS 7 HN LYS 7 0.789 -0.382 9.299 56 HA LYS 7 HA LYS 7 3.569 0.082 8.239 57 1HB LYS 7 2HB LYS 7 3.986 1.330 10.386 58 2HB LYS 7 3HB LYS 7 2.808 2.096 9.301 59 1HG LYS 7 2HG LYS 7 0.979 1.584 10.693 60 2HG LYS 7 3HG LYS 7 1.852 0.345 11.592 61 1HD LYS 7 2HD LYS 7 3.238 1.937 12.714 62 2HD LYS 7 3HD LYS 7 2.751 3.231 11.596 63 1HE LYS 7 2HE LYS 7 0.456 3.153 12.447 64 2HE LYS 7 3HE LYS 7 0.891 1.870 13.586 65 1HZ LYS 7 1HZ LYS 7 2.135 3.375 14.845 66 2HZ LYS 7 2HZ LYS 7 2.320 4.459 13.591 67 3HZ LYS 7 3HZ LYS 7 0.872 4.265 14.341 68 H TYR 8 HN TYR 8 2.212 -2.511 8.911 69 HA TYR 8 HA TYR 8 4.351 -3.648 10.641 70 1HB TYR 8 2HB TYR 8 1.368 -4.238 10.893 71 2HB TYR 8 3HB TYR 8 2.665 -4.931 11.851 72 HD1 TYR 8 HD1 TYR 8 4.219 -3.047 13.053 73 HD2 TYR 8 HD2 TYR 8 0.066 -2.629 11.966 74 HE1 TYR 8 HE1 TYR 8 3.969 -1.300 14.757 75 HE2 TYR 8 HE2 TYR 8 -0.206 -0.879 13.669 76 HH TYR 8 HH TYR 8 2.459 0.051 15.890 77 H GLY 9 HN GLY 9 3.903 -3.608 7.690 78 1HA GLY 9 1HA GLY 9 3.917 -5.086 5.914 79 2HA GLY 9 2HA GLY 9 4.022 -6.416 7.052 80 H THR 10 HN THR 10 2.266 -7.377 7.681 81 HA THR 10 HA THR 10 0.246 -7.233 5.567 82 HB THR 10 HB THR 10 -0.290 -9.611 6.419 83 HG1 THR 10 HG1 THR 10 1.213 -9.030 8.382 84 1HG2 THR 10 1HG2 THR 10 1.679 -10.479 5.167 85 2HG2 THR 10 2HG2 THR 10 0.918 -9.105 4.336 86 3HG2 THR 10 3HG2 THR 10 2.414 -8.859 5.256 87 H ASP 11 HN ASP 11 -1.009 -5.388 6.524 88 HA ASP 11 HA ASP 11 -3.208 -6.599 8.107 89 1HB ASP 11 2HB ASP 11 -1.268 -5.578 9.579 90 2HB ASP 11 3HB ASP 11 -1.942 -4.041 9.101 91 H HIS 12 HN HIS 12 -3.307 -5.716 5.371 92 HA HIS 12 HA HIS 12 -5.649 -4.165 5.308 93 1HB HIS 12 2HB HIS 12 -4.978 -2.032 4.663 94 2HB HIS 12 3HB HIS 12 -3.701 -2.376 5.792 95 HD1 HIS 12 HD1 HIS 12 -2.306 -4.318 3.178 96 HD2 HIS 12 HD2 HIS 12 -3.394 -0.264 3.439 97 HE1 HIS 12 HE1 HIS 12 -1.012 -3.138 1.413 98 HA PRO 13 HA PRO 13 -5.651 -6.166 1.392 99 1HB PRO 13 2HB PRO 13 -6.972 -4.621 -0.380 100 2HB PRO 13 3HB PRO 13 -7.767 -5.199 1.101 101 1HG PRO 13 2HG PRO 13 -6.620 -2.466 0.582 102 2HG PRO 13 3HG PRO 13 -8.157 -2.914 1.371 103 1HD PRO 13 2HD PRO 13 -5.770 -2.322 2.664 104 2HD PRO 13 3HD PRO 13 -7.093 -3.270 3.398 105 H VAL 14 HN VAL 14 -4.716 -6.359 -0.873 106 HA VAL 14 HA VAL 14 -3.813 -4.672 -2.550 107 HB VAL 14 HB VAL 14 -1.792 -4.755 -0.416 108 1HG1 VAL 14 1HG1 VAL 14 -0.840 -4.989 -3.302 109 2HG1 VAL 14 2HG1 VAL 14 0.158 -4.486 -1.932 110 3HG1 VAL 14 3HG1 VAL 14 -0.493 -6.118 -1.967 111 1HG2 VAL 14 1HG2 VAL 14 -1.252 -2.532 -1.503 112 2HG2 VAL 14 2HG2 VAL 14 -2.284 -2.968 -2.872 113 3HG2 VAL 14 3HG2 VAL 14 -2.969 -2.664 -1.282 114 H GLU 15 HN GLU 15 -2.842 -7.691 -0.887 115 HA GLU 15 HA GLU 15 -3.165 -9.063 -3.547 116 1HB GLU 15 2HB GLU 15 -1.065 -10.082 -3.296 117 2HB GLU 15 3HB GLU 15 -0.824 -8.446 -2.862 118 1HG GLU 15 2HG GLU 15 0.102 -9.140 -1.014 119 2HG GLU 15 3HG GLU 15 -1.523 -9.547 -0.454 120 H LYS 16 HN LYS 16 -4.114 -8.979 -0.322 121 HA LYS 16 HA LYS 16 -5.316 -11.675 -0.528 122 1HB LYS 16 2HB LYS 16 -2.945 -11.422 0.549 123 2HB LYS 16 3HB LYS 16 -3.803 -10.780 1.950 124 1HG LYS 16 2HG LYS 16 -3.987 -12.999 2.535 125 2HG LYS 16 3HG LYS 16 -5.346 -12.981 1.420 126 1HD LYS 16 2HD LYS 16 -3.868 -13.633 -0.465 127 2HD LYS 16 3HD LYS 16 -2.494 -13.776 0.639 128 1HE LYS 16 2HE LYS 16 -4.947 -15.242 1.470 129 2HE LYS 16 3HE LYS 16 -4.298 -15.783 -0.075 130 1HZ LYS 16 1HZ LYS 16 -2.597 -15.567 2.324 131 2HZ LYS 16 2HZ LYS 16 -3.404 -16.951 1.923 132 3HZ LYS 16 3HZ LYS 16 -2.263 -16.346 0.905 133 H LEU 17 HN LEU 17 -5.008 -8.997 1.977 134 HA LEU 17 HA LEU 17 -7.608 -9.353 2.795 135 1HB LEU 17 2HB LEU 17 -5.567 -7.428 3.249 136 2HB LEU 17 3HB LEU 17 -7.073 -6.541 3.147 137 HG LEU 17 HG LEU 17 -6.511 -7.105 5.421 138 1HD1 LEU 17 1HD1 LEU 17 -8.703 -7.961 6.083 139 2HD1 LEU 17 2HD1 LEU 17 -8.853 -6.807 4.748 140 3HD1 LEU 17 3HD1 LEU 17 -9.009 -8.532 4.428 141 1HD2 LEU 17 1HD2 LEU 17 -6.966 -10.050 4.783 142 2HD2 LEU 17 2HD2 LEU 17 -5.376 -9.303 4.969 143 3HD2 LEU 17 3HD2 LEU 17 -6.517 -9.312 6.323 144 H LYS 18 HN LYS 18 -6.510 -7.656 -0.052 145 HA LYS 18 HA LYS 18 -8.872 -6.250 -0.749 146 1HB LYS 18 2HB LYS 18 -7.910 -5.788 -2.714 147 2HB LYS 18 3HB LYS 18 -6.468 -6.460 -2.024 148 1HG LYS 18 2HG LYS 18 -8.388 -8.141 -3.746 149 2HG LYS 18 3HG LYS 18 -7.161 -7.150 -4.428 150 1HD LYS 18 2HD LYS 18 -5.395 -8.354 -3.525 151 2HD LYS 18 3HD LYS 18 -6.399 -9.099 -2.279 152 1HE LYS 18 2HE LYS 18 -5.694 -10.689 -3.959 153 2HE LYS 18 3HE LYS 18 -7.456 -10.545 -3.799 154 1HZ LYS 18 1HZ LYS 18 -5.858 -9.374 -5.961 155 2HZ LYS 18 2HZ LYS 18 -6.529 -10.787 -6.105 156 3HZ LYS 18 3HZ LYS 18 -7.522 -9.481 -5.956 157 H ILE 19 HN ILE 19 -8.180 -9.686 -0.867 158 HA ILE 19 HA ILE 19 -10.222 -10.218 -2.819 159 HB ILE 19 HB ILE 19 -7.892 -11.371 -1.779 160 1HG1 ILE 19 2HG1 ILE 19 -9.608 -13.180 -3.425 161 2HG1 ILE 19 3HG1 ILE 19 -9.002 -11.671 -4.099 162 1HG2 ILE 19 1HG2 ILE 19 -8.176 -13.515 -0.943 163 2HG2 ILE 19 2HG2 ILE 19 -9.007 -12.402 0.142 164 3HG2 ILE 19 3HG2 ILE 19 -9.957 -13.395 -0.995 165 1HD1 ILE 19 1HD1 ILE 19 -7.401 -14.033 -3.040 166 2HD1 ILE 19 2HD1 ILE 19 -7.257 -13.185 -4.596 167 3HD1 ILE 19 3HD1 ILE 19 -6.657 -12.431 -3.095 168 H ARG 20 HN ARG 20 -9.903 -10.023 0.682 169 HA ARG 20 HA ARG 20 -12.510 -11.226 1.234 170 1HB ARG 20 2HB ARG 20 -10.616 -9.584 2.982 171 2HB ARG 20 3HB ARG 20 -12.066 -10.415 3.533 172 1HG ARG 20 2HG ARG 20 -10.930 -12.294 3.845 173 2HG ARG 20 3HG ARG 20 -10.534 -12.405 2.149 174 1HD ARG 20 2HD ARG 20 -8.376 -11.747 2.439 175 2HD ARG 20 3HD ARG 20 -8.802 -10.592 3.699 176 HE ARG 20 HE ARG 20 -8.949 -12.236 5.331 177 1HH1 ARG 20 2HH2 ARG 20 -7.492 -13.476 2.358 178 2HH1 ARG 20 1HH2 ARG 20 -6.459 -14.590 3.172 179 1HH2 ARG 20 2HH1 ARG 20 -7.600 -13.847 6.398 180 2HH2 ARG 20 1HH1 ARG 20 -6.358 -14.654 5.502 181 H SER 21 HN SER 21 -11.179 -7.917 0.657 182 HA SER 21 HA SER 21 -13.862 -7.024 -0.037 183 1HB SER 21 2HB SER 21 -12.303 -5.869 2.319 184 2HB SER 21 3HB SER 21 -13.704 -5.069 1.561 185 HG SER 21 HG SER 21 -14.364 -7.597 2.087 186 H ALA 22 HN ALA 22 -13.059 -6.512 -2.117 187 HA ALA 22 HA ALA 22 -12.341 -3.821 -2.401 188 1HB ALA 22 1HB ALA 22 -10.159 -4.046 -3.658 189 2HB ALA 22 2HB ALA 22 -9.957 -4.530 -1.984 190 3HB ALA 22 3HB ALA 22 -10.136 -5.773 -3.241 191 H LYS 23 HN LYS 23 -12.005 -3.165 -4.681 192 HA LYS 23 HA LYS 23 -12.684 -5.157 -6.688 193 1HB LYS 23 2HB LYS 23 -14.746 -3.500 -5.883 194 2HB LYS 23 3HB LYS 23 -14.004 -2.486 -7.093 195 1HG LYS 23 2HG LYS 23 -15.636 -3.735 -8.262 196 2HG LYS 23 3HG LYS 23 -14.122 -4.511 -8.677 197 1HD LYS 23 2HD LYS 23 -15.374 -6.375 -8.117 198 2HD LYS 23 3HD LYS 23 -14.662 -6.018 -6.505 199 1HE LYS 23 2HE LYS 23 -16.613 -4.923 -5.755 200 2HE LYS 23 3HE LYS 23 -17.285 -4.787 -7.381 201 1HZ LYS 23 1HZ LYS 23 -18.309 -6.597 -6.073 202 2HZ LYS 23 2HZ LYS 23 -17.640 -7.114 -7.464 203 3HZ LYS 23 3HZ LYS 23 -16.863 -7.397 -6.051 204 H ALA 24 HN ALA 24 -12.542 -3.777 -8.887 205 HA ALA 24 HA ALA 24 -9.787 -3.008 -9.034 206 1HB ALA 24 1HB ALA 24 -10.245 -2.288 -11.306 207 2HB ALA 24 2HB ALA 24 -11.105 -3.824 -11.039 208 3HB ALA 24 3HB ALA 24 -11.989 -2.273 -10.985 209 H GLU 25 HN GLU 25 -12.900 -1.278 -8.702 210 HA GLU 25 HA GLU 25 -11.547 1.316 -8.541 211 1HB GLU 25 2HB GLU 25 -14.448 0.451 -8.478 212 2HB GLU 25 3HB GLU 25 -13.948 2.019 -7.785 213 1HG GLU 25 2HG GLU 25 -13.048 2.802 -9.851 214 2HG GLU 25 3HG GLU 25 -13.166 1.184 -10.590 215 H ASP 26 HN ASP 26 -10.260 -0.134 -6.939 216 HA ASP 26 HA ASP 26 -11.078 1.217 -4.470 217 1HB ASP 26 2HB ASP 26 -11.209 -1.438 -4.567 218 2HB ASP 26 3HB ASP 26 -9.486 -1.353 -4.302 219 H LYS 27 HN LYS 27 -8.914 1.587 -3.032 220 HA LYS 27 HA LYS 27 -6.672 2.257 -4.829 221 1HB LYS 27 2HB LYS 27 -8.155 4.287 -3.118 222 2HB LYS 27 3HB LYS 27 -6.723 4.546 -4.043 223 1HG LYS 27 2HG LYS 27 -7.959 5.393 -5.628 224 2HG LYS 27 3HG LYS 27 -8.410 3.770 -6.081 225 1HD LYS 27 2HD LYS 27 -10.520 3.965 -4.929 226 2HD LYS 27 3HD LYS 27 -9.923 5.283 -3.941 227 1HE LYS 27 2HE LYS 27 -11.169 6.560 -5.247 228 2HE LYS 27 3HE LYS 27 -9.678 6.627 -6.171 229 1HZ LYS 27 1HZ LYS 27 -11.610 6.231 -7.528 230 2HZ LYS 27 2HZ LYS 27 -10.648 4.902 -7.642 231 3HZ LYS 27 3HZ LYS 27 -12.003 4.877 -6.680 232 H ILE 28 HN ILE 28 -4.787 1.690 -3.729 233 HA ILE 28 HA ILE 28 -4.823 1.876 -0.782 234 HB ILE 28 HB ILE 28 -3.800 -0.605 -2.108 235 1HG1 ILE 28 2HG1 ILE 28 -6.697 -0.679 -1.109 236 2HG1 ILE 28 3HG1 ILE 28 -6.327 -0.437 -2.814 237 1HG2 ILE 28 1HG2 ILE 28 -4.949 0.165 0.648 238 2HG2 ILE 28 2HG2 ILE 28 -4.485 -1.482 0.270 239 3HG2 ILE 28 3HG2 ILE 28 -3.267 -0.235 0.248 240 1HD1 ILE 28 1HD1 ILE 28 -6.650 -2.783 -2.419 241 2HD1 ILE 28 2HD1 ILE 28 -4.976 -2.417 -2.913 242 3HD1 ILE 28 3HD1 ILE 28 -5.327 -2.772 -1.226 243 H VAL 29 HN VAL 29 -2.811 1.735 0.173 244 HA VAL 29 HA VAL 29 -0.413 2.002 -1.460 245 HB VAL 29 HB VAL 29 -1.367 4.273 0.317 246 1HG1 VAL 29 1HG1 VAL 29 0.762 5.448 -0.365 247 2HG1 VAL 29 2HG1 VAL 29 1.061 4.067 0.661 248 3HG1 VAL 29 3HG1 VAL 29 1.343 3.941 -1.100 249 1HG2 VAL 29 1HG2 VAL 29 -2.359 4.678 -1.710 250 2HG2 VAL 29 2HG2 VAL 29 -0.843 5.530 -1.975 251 3HG2 VAL 29 3HG2 VAL 29 -1.074 3.912 -2.658 252 H LEU 30 HN LEU 30 1.512 1.718 -0.199 253 HA LEU 30 HA LEU 30 1.154 0.374 2.487 254 1HB LEU 30 2HB LEU 30 3.637 -0.007 0.821 255 2HB LEU 30 3HB LEU 30 2.819 -1.155 1.855 256 HG LEU 30 HG LEU 30 2.034 -0.498 -1.008 257 1HD1 LEU 30 1HD1 LEU 30 4.187 -1.745 -0.789 258 2HD1 LEU 30 2HD1 LEU 30 3.386 -2.948 0.209 259 3HD1 LEU 30 3HD1 LEU 30 2.909 -2.741 -1.489 260 1HD2 LEU 30 1HD2 LEU 30 0.068 -1.218 0.208 261 2HD2 LEU 30 2HD2 LEU 30 0.697 -2.620 -0.695 262 3HD2 LEU 30 3HD2 LEU 30 1.004 -2.479 1.040 263 H ILE 31 HN ILE 31 2.490 0.985 4.175 264 HA ILE 31 HA ILE 31 4.580 2.952 3.561 265 HB ILE 31 HB ILE 31 3.948 4.447 5.083 266 1HG1 ILE 31 2HG1 ILE 31 1.930 2.686 6.478 267 2HG1 ILE 31 3HG1 ILE 31 3.542 2.682 6.976 268 1HG2 ILE 31 1HG2 ILE 31 2.225 4.404 3.244 269 2HG2 ILE 31 2HG2 ILE 31 1.144 3.542 4.347 270 3HG2 ILE 31 3HG2 ILE 31 1.678 5.174 4.730 271 1HD1 ILE 31 1HD1 ILE 31 3.525 5.121 7.382 272 2HD1 ILE 31 2HD1 ILE 31 1.803 5.165 6.968 273 3HD1 ILE 31 3HD1 ILE 31 2.334 4.228 8.373 274 H GLN 32 HN GLN 32 5.764 3.226 5.865 275 HA GLN 32 HA GLN 32 7.500 2.287 6.819 276 1HB GLN 32 2HB GLN 32 5.307 1.108 8.461 277 2HB GLN 32 3HB GLN 32 6.957 1.353 9.001 278 1HG GLN 32 2HG GLN 32 5.595 3.763 7.925 279 2HG GLN 32 3HG GLN 32 4.880 3.114 9.352 280 1HE2 GLN 32 1HE2 GLN 32 7.517 5.064 8.196 281 2HE2 GLN 32 2HE2 GLN 32 8.227 5.324 9.758 282 H ASN 33 HN ASN 33 5.980 -0.507 7.975 283 HA ASN 33 HA ASN 33 7.755 -2.367 6.448 284 1HB ASN 33 2HB ASN 33 5.832 -3.191 8.688 285 2HB ASN 33 3HB ASN 33 7.158 -4.071 7.992 286 1HD2 ASN 33 1HD2 ASN 33 6.471 -1.250 10.183 287 2HD2 ASN 33 2HD2 ASN 33 8.156 -1.137 10.664 288 H GLY 34 HN GLY 34 4.484 -1.252 6.310 289 1HA GLY 34 1HA GLY 34 2.960 -3.374 5.223 290 2HA GLY 34 2HA GLY 34 2.866 -1.635 4.887 291 H VAL 35 HN VAL 35 5.564 -1.352 3.879 292 HA VAL 35 HA VAL 35 5.317 -1.848 1.169 293 HB VAL 35 HB VAL 35 7.655 -1.439 1.026 294 1HG1 VAL 35 1HG1 VAL 35 6.143 0.467 1.545 295 2HG1 VAL 35 2HG1 VAL 35 6.534 0.280 3.271 296 3HG1 VAL 35 3HG1 VAL 35 7.797 0.714 2.126 297 1HG2 VAL 35 1HG2 VAL 35 7.714 -2.042 4.026 298 2HG2 VAL 35 2HG2 VAL 35 8.659 -2.805 2.740 299 3HG2 VAL 35 3HG2 VAL 35 8.998 -1.139 3.236 300 H PHE 36 HN PHE 36 6.052 -4.305 3.608 301 HA PHE 36 HA PHE 36 7.304 -6.288 2.114 302 1HB PHE 36 2HB PHE 36 5.137 -6.380 4.243 303 2HB PHE 36 3HB PHE 36 5.924 -7.802 3.610 304 HD1 PHE 36 HD1 PHE 36 6.078 -8.051 6.171 305 HD2 PHE 36 HD2 PHE 36 8.492 -5.272 3.907 306 HE1 PHE 36 HE1 PHE 36 7.795 -8.079 7.949 307 HE2 PHE 36 HE2 PHE 36 10.237 -5.416 5.620 308 HZ PHE 36 HZ PHE 36 9.894 -6.764 7.679 309 H TRP 37 HN TRP 37 3.916 -5.214 1.917 310 HA TRP 37 HA TRP 37 2.974 -7.515 0.507 311 1HB TRP 37 2HB TRP 37 1.936 -4.677 0.260 312 2HB TRP 37 3HB TRP 37 1.151 -6.120 -0.337 313 HD1 TRP 37 HD1 TRP 37 1.281 -3.935 2.627 314 HE1 TRP 37 HE1 TRP 37 -0.222 -4.796 4.434 315 HE3 TRP 37 HE3 TRP 37 0.582 -8.699 0.945 316 HZ2 TRP 37 HZ2 TRP 37 -2.220 -7.020 4.658 317 HZ3 TRP 37 HZ3 TRP 37 -1.245 -10.113 1.853 318 HH2 TRP 37 HH2 TRP 37 -2.784 -9.194 3.639 319 H ALA 38 HN ALA 38 5.134 -5.026 -0.591 320 HA ALA 38 HA ALA 38 4.548 -5.394 -3.481 321 1HB ALA 38 1HB ALA 38 6.189 -3.613 -3.768 322 2HB ALA 38 2HB ALA 38 5.001 -3.082 -2.577 323 3HB ALA 38 3HB ALA 38 6.600 -3.648 -2.050 324 H LEU 39 HN LEU 39 5.251 -7.686 -1.980 325 HA LEU 39 HA LEU 39 7.138 -8.853 -3.729 326 1HB LEU 39 2HB LEU 39 8.965 -9.260 -2.045 327 2HB LEU 39 3HB LEU 39 8.796 -7.714 -2.844 328 HG LEU 39 HG LEU 39 7.645 -6.895 -0.641 329 1HD1 LEU 39 1HD1 LEU 39 9.316 -9.208 0.440 330 2HD1 LEU 39 2HD1 LEU 39 8.536 -7.907 1.389 331 3HD1 LEU 39 3HD1 LEU 39 7.548 -9.070 0.534 332 1HD2 LEU 39 1HD2 LEU 39 9.703 -6.071 -1.636 333 2HD2 LEU 39 2HD2 LEU 39 9.763 -6.128 0.121 334 3HD2 LEU 39 3HD2 LEU 39 10.611 -7.380 -0.849 335 H GLU 40 HN GLU 40 4.707 -9.564 -3.288 336 HA GLU 40 HA GLU 40 4.712 -12.039 -1.659 337 1HB GLU 40 2HB GLU 40 2.541 -9.914 -1.794 338 2HB GLU 40 3HB GLU 40 2.360 -11.518 -1.078 339 1HG GLU 40 2HG GLU 40 4.461 -9.587 -0.127 340 2HG GLU 40 3HG GLU 40 2.809 -9.648 0.516 341 H GLU 41 HN GLU 41 2.034 -12.788 -2.453 342 HA GLU 41 HA GLU 41 2.799 -13.656 -5.178 343 1HB GLU 41 2HB GLU 41 1.871 -15.454 -2.908 344 2HB GLU 41 3HB GLU 41 2.206 -15.944 -4.577 345 1HG GLU 41 2HG GLU 41 4.567 -14.832 -4.126 346 2HG GLU 41 3HG GLU 41 4.148 -15.110 -2.427 347 H LEU 42 HN LEU 42 1.101 -11.679 -4.838 348 HA LEU 42 HA LEU 42 -1.118 -12.553 -6.511 349 1HB LEU 42 2HB LEU 42 -1.220 -12.354 -3.629 350 2HB LEU 42 3HB LEU 42 -2.434 -11.270 -4.339 351 HG LEU 42 HG LEU 42 -2.428 -14.008 -5.503 352 1HD1 LEU 42 1HD1 LEU 42 -3.206 -15.229 -3.494 353 2HD1 LEU 42 2HD1 LEU 42 -1.551 -14.637 -3.285 354 3HD1 LEU 42 3HD1 LEU 42 -2.860 -13.785 -2.498 355 1HD2 LEU 42 1HD2 LEU 42 -4.339 -12.069 -5.168 356 2HD2 LEU 42 2HD2 LEU 42 -4.656 -13.756 -5.577 357 3HD2 LEU 42 3HD2 LEU 42 -4.770 -13.209 -3.880 358 H GLU 43 HN GLU 43 -2.720 -10.382 -6.155 359 HA GLU 43 HA GLU 43 -1.341 -7.899 -6.022 360 1HB GLU 43 2HB GLU 43 -1.893 -7.155 -8.300 361 2HB GLU 43 3HB GLU 43 -0.759 -8.500 -8.355 362 1HG GLU 43 2HG GLU 43 -2.492 -10.063 -8.990 363 2HG GLU 43 3HG GLU 43 -3.748 -8.870 -8.684 364 H THR 44 HN THR 44 -3.187 -6.402 -6.993 365 HA THR 44 HA THR 44 -5.984 -7.143 -6.253 366 HB THR 44 HB THR 44 -4.959 -5.699 -4.447 367 HG1 THR 44 HG1 THR 44 -6.562 -4.005 -4.641 368 1HG2 THR 44 1HG2 THR 44 -3.453 -4.590 -5.768 369 2HG2 THR 44 2HG2 THR 44 -4.704 -3.642 -6.581 370 3HG2 THR 44 3HG2 THR 44 -4.450 -3.491 -4.813 371 HA PRO 45 HA PRO 45 -6.584 -5.178 -10.217 372 1HB PRO 45 2HB PRO 45 -9.283 -4.814 -10.091 373 2HB PRO 45 3HB PRO 45 -8.513 -6.324 -10.551 374 1HG PRO 45 2HG PRO 45 -9.929 -5.624 -8.040 375 2HG PRO 45 3HG PRO 45 -9.602 -7.234 -8.742 376 1HD PRO 45 2HD PRO 45 -8.242 -5.730 -6.711 377 2HD PRO 45 3HD PRO 45 -7.840 -7.394 -7.278 378 H ALA 46 HN ALA 46 -6.874 -3.806 -7.122 379 HA ALA 46 HA ALA 46 -7.806 -1.157 -7.742 380 1HB ALA 46 1HB ALA 46 -6.122 -2.133 -5.418 381 2HB ALA 46 2HB ALA 46 -7.077 -0.690 -5.457 382 3HB ALA 46 3HB ALA 46 -7.896 -2.268 -5.498 383 H LYS 47 HN LYS 47 -6.124 0.751 -6.989 384 HA LYS 47 HA LYS 47 -3.594 0.337 -8.480 385 1HB LYS 47 2HB LYS 47 -3.191 2.711 -7.265 386 2HB LYS 47 3HB LYS 47 -3.774 2.522 -8.890 387 1HG LYS 47 2HG LYS 47 -5.912 3.057 -8.344 388 2HG LYS 47 3HG LYS 47 -5.746 2.636 -6.652 389 1HD LYS 47 2HD LYS 47 -6.119 4.935 -6.785 390 2HD LYS 47 3HD LYS 47 -4.454 4.711 -6.343 391 1HE LYS 47 2HE LYS 47 -3.780 6.053 -8.000 392 2HE LYS 47 3HE LYS 47 -4.583 5.027 -9.213 393 1HZ LYS 47 1HZ LYS 47 -5.339 7.285 -9.240 394 2HZ LYS 47 2HZ LYS 47 -6.574 6.320 -8.785 395 3HZ LYS 47 3HZ LYS 47 -5.795 7.261 -7.669 396 H VAL 48 HN VAL 48 -1.578 0.639 -7.292 397 HA VAL 48 HA VAL 48 -1.643 -0.003 -4.441 398 HB VAL 48 HB VAL 48 -0.289 -1.683 -6.627 399 1HG1 VAL 48 1HG1 VAL 48 1.014 -1.600 -4.558 400 2HG1 VAL 48 2HG1 VAL 48 -0.426 -1.945 -3.594 401 3HG1 VAL 48 3HG1 VAL 48 0.219 -3.189 -4.686 402 1HG2 VAL 48 1HG2 VAL 48 -2.734 -2.230 -4.917 403 2HG2 VAL 48 2HG2 VAL 48 -2.665 -2.238 -6.674 404 3HG2 VAL 48 3HG2 VAL 48 -1.792 -3.484 -5.765 405 H TYR 49 HN TYR 49 -0.178 1.405 -3.651 406 HA TYR 49 HA TYR 49 2.264 1.928 -5.284 407 1HB TYR 49 2HB TYR 49 0.647 4.077 -3.881 408 2HB TYR 49 3HB TYR 49 2.191 4.271 -4.646 409 HD1 TYR 49 HD1 TYR 49 -1.561 3.956 -5.506 410 HD2 TYR 49 HD2 TYR 49 2.495 4.247 -7.042 411 HE1 TYR 49 HE1 TYR 49 -2.380 4.808 -7.504 412 HE2 TYR 49 HE2 TYR 49 1.580 5.005 -9.191 413 HH TYR 49 HH TYR 49 -1.456 6.241 -9.510 414 H ALA 50 HN ALA 50 4.078 2.718 -3.818 415 HA ALA 50 HA ALA 50 3.608 2.034 -0.943 416 1HB ALA 50 1HB ALA 50 5.785 0.990 -2.775 417 2HB ALA 50 2HB ALA 50 5.867 0.915 -1.000 418 3HB ALA 50 3HB ALA 50 4.586 0.067 -1.885 419 H ILE 51 HN ILE 51 4.857 3.240 0.471 420 HA ILE 51 HA ILE 51 5.832 5.809 -0.529 421 HB ILE 51 HB ILE 51 5.710 4.489 2.210 422 1HG1 ILE 51 2HG1 ILE 51 3.521 5.017 1.573 423 2HG1 ILE 51 3HG1 ILE 51 4.051 6.246 2.717 424 1HG2 ILE 51 1HG2 ILE 51 7.615 6.238 1.948 425 2HG2 ILE 51 2HG2 ILE 51 6.355 7.437 1.742 426 3HG2 ILE 51 3HG2 ILE 51 6.450 6.460 3.234 427 1HD1 ILE 51 1HD1 ILE 51 4.499 7.722 0.622 428 2HD1 ILE 51 2HD1 ILE 51 3.595 6.481 -0.280 429 3HD1 ILE 51 3HD1 ILE 51 2.828 7.354 1.059 430 H LYS 52 HN LYS 52 7.580 6.001 -1.511 431 HA LYS 52 HA LYS 52 9.683 4.209 -1.494 432 1HB LYS 52 2HB LYS 52 9.105 6.019 -3.182 433 2HB LYS 52 3HB LYS 52 9.932 7.180 -2.149 434 1HG LYS 52 2HG LYS 52 12.037 6.289 -2.623 435 2HG LYS 52 3HG LYS 52 11.410 4.662 -2.839 436 1HD LYS 52 2HD LYS 52 11.998 5.118 -4.954 437 2HD LYS 52 3HD LYS 52 10.304 5.596 -5.029 438 1HE LYS 52 2HE LYS 52 10.861 7.942 -4.949 439 2HE LYS 52 3HE LYS 52 12.545 7.558 -4.525 440 1HZ LYS 52 1HZ LYS 52 12.788 7.875 -6.718 441 2HZ LYS 52 2HZ LYS 52 12.548 6.291 -6.744 442 3HZ LYS 52 3HZ LYS 52 11.302 7.256 -7.183 443 H ASP 53 HN ASP 53 9.685 7.362 0.274 444 HA ASP 53 HA ASP 53 12.122 7.033 1.494 445 1HB ASP 53 2HB ASP 53 9.631 8.321 2.677 446 2HB ASP 53 3HB ASP 53 11.267 8.517 3.320 447 H ASP 54 HN ASP 54 8.954 5.861 2.877 448 HA ASP 54 HA ASP 54 10.133 4.682 5.153 449 1HB ASP 54 2HB ASP 54 7.497 4.435 3.705 450 2HB ASP 54 3HB ASP 54 7.961 3.122 4.752 451 H PHE 55 HN PHE 55 9.549 3.325 1.859 452 HA PHE 55 HA PHE 55 10.297 0.648 2.425 453 1HB PHE 55 2HB PHE 55 9.182 1.570 0.353 454 2HB PHE 55 3HB PHE 55 10.711 2.277 -0.119 455 HD1 PHE 55 HD1 PHE 55 11.669 1.172 -1.949 456 HD2 PHE 55 HD2 PHE 55 9.724 -1.133 1.111 457 HE1 PHE 55 HE1 PHE 55 12.114 -0.908 -3.189 458 HE2 PHE 55 HE2 PHE 55 10.071 -3.201 -0.192 459 HZ PHE 55 HZ PHE 55 11.326 -3.100 -2.322 460 H LEU 56 HN LEU 56 12.189 3.433 1.334 461 HA LEU 56 HA LEU 56 14.761 2.162 1.235 462 1HB LEU 56 2HB LEU 56 13.913 5.056 1.692 463 2HB LEU 56 3HB LEU 56 15.557 4.565 1.353 464 HG LEU 56 HG LEU 56 13.229 4.008 -0.554 465 1HD1 LEU 56 1HD1 LEU 56 14.196 5.938 -1.875 466 2HD1 LEU 56 2HD1 LEU 56 13.526 6.438 -0.313 467 3HD1 LEU 56 3HD1 LEU 56 15.279 6.290 -0.518 468 1HD2 LEU 56 1HD2 LEU 56 16.247 3.892 -0.971 469 2HD2 LEU 56 2HD2 LEU 56 15.111 2.524 -0.958 470 3HD2 LEU 56 3HD2 LEU 56 15.026 3.721 -2.245 471 H ALA 57 HN ALA 57 12.930 3.857 3.782 472 HA ALA 57 HA ALA 57 14.979 3.521 5.766 473 1HB ALA 57 1HB ALA 57 11.993 3.987 6.200 474 2HB ALA 57 2HB ALA 57 13.282 4.263 7.371 475 3HB ALA 57 3HB ALA 57 13.177 5.279 5.918 476 H ARG 58 HN ARG 58 13.214 1.151 4.240 477 HA ARG 58 HA ARG 58 13.370 -0.635 6.642 478 1HB ARG 58 2HB ARG 58 11.109 0.123 5.122 479 2HB ARG 58 3HB ARG 58 11.504 -1.403 4.455 480 1HG ARG 58 2HG ARG 58 11.287 -1.115 7.481 481 2HG ARG 58 3HG ARG 58 9.832 -1.031 6.485 482 1HD ARG 58 2HD ARG 58 9.958 -3.286 7.049 483 2HD ARG 58 3HD ARG 58 10.458 -3.182 5.386 484 HE ARG 58 HE ARG 58 12.643 -3.719 5.919 485 1HH1 ARG 58 2HH2 ARG 58 10.663 -3.551 8.908 486 2HH1 ARG 58 1HH2 ARG 58 11.735 -4.603 9.778 487 1HH2 ARG 58 2HH1 ARG 58 14.171 -4.771 7.220 488 2HH2 ARG 58 1HH1 ARG 58 13.872 -5.127 8.884 489 H GLY 59 HN GLY 59 15.445 0.049 4.728 490 1HA GLY 59 1HA GLY 59 17.221 -1.040 3.776 491 2HA GLY 59 2HA GLY 59 16.660 -2.497 4.601 492 H TYR 60 HN TYR 60 15.628 -0.491 1.633 493 HA TYR 60 HA TYR 60 15.838 -2.858 0.040 494 1HB TYR 60 2HB TYR 60 13.496 -0.930 0.287 495 2HB TYR 60 3HB TYR 60 13.776 -1.992 -1.052 496 HD1 TYR 60 HD1 TYR 60 13.539 -4.461 -0.819 497 HD2 TYR 60 HD2 TYR 60 12.463 -1.767 2.334 498 HE1 TYR 60 HE1 TYR 60 12.283 -6.269 0.267 499 HE2 TYR 60 HE2 TYR 60 11.100 -3.536 3.389 500 HH TYR 60 HH TYR 60 11.226 -6.852 2.234 501 H SER 61 HN SER 61 16.106 -2.233 -2.077 502 HA SER 61 HA SER 61 16.800 0.594 -2.779 503 1HB SER 61 2HB SER 61 17.530 -2.159 -3.761 504 2HB SER 61 3HB SER 61 17.557 -0.796 -4.911 505 HG SER 61 HG SER 61 19.165 -1.396 -2.723 506 H GLU 62 HN GLU 62 15.922 1.071 -5.097 507 HA GLU 62 HA GLU 62 13.160 0.997 -4.835 508 1HB GLU 62 2HB GLU 62 14.851 1.501 -7.340 509 2HB GLU 62 3HB GLU 62 13.143 1.930 -7.113 510 1HG GLU 62 2HG GLU 62 13.929 3.368 -5.115 511 2HG GLU 62 3HG GLU 62 15.574 3.117 -5.729 512 H GLU 63 HN GLU 63 15.314 -0.858 -7.072 513 HA GLU 63 HA GLU 63 13.079 -2.018 -8.323 514 1HB GLU 63 2HB GLU 63 14.536 -2.978 -9.780 515 2HB GLU 63 3HB GLU 63 15.340 -1.491 -9.319 516 1HG GLU 63 2HG GLU 63 17.029 -2.598 -8.103 517 2HG GLU 63 3HG GLU 63 16.102 -4.112 -7.994 518 H ASP 64 HN ASP 64 14.189 -2.642 -5.298 519 HA ASP 64 HA ASP 64 13.872 -5.536 -5.226 520 1HB ASP 64 2HB ASP 64 13.680 -3.511 -2.972 521 2HB ASP 64 3HB ASP 64 13.690 -5.256 -2.812 522 H SER 65 HN SER 65 11.723 -2.755 -5.407 523 HA SER 65 HA SER 65 9.537 -4.133 -4.026 524 1HB SER 65 2HB SER 65 10.254 -1.497 -4.203 525 2HB SER 65 3HB SER 65 9.019 -1.437 -5.381 526 HG SER 65 HG SER 65 8.921 -2.095 -2.667 527 H LYS 66 HN LYS 66 7.589 -4.791 -5.120 528 HA LYS 66 HA LYS 66 7.644 -4.583 -8.131 529 1HB LYS 66 2HB LYS 66 6.301 -6.545 -8.256 530 2HB LYS 66 3HB LYS 66 7.749 -6.872 -7.294 531 1HG LYS 66 2HG LYS 66 6.665 -7.277 -5.398 532 2HG LYS 66 3HG LYS 66 5.333 -6.127 -5.708 533 1HD LYS 66 2HD LYS 66 4.420 -7.754 -7.365 534 2HD LYS 66 3HD LYS 66 5.719 -8.893 -6.914 535 1HE LYS 66 2HE LYS 66 4.452 -9.643 -5.215 536 2HE LYS 66 3HE LYS 66 4.579 -8.079 -4.428 537 1HZ LYS 66 1HZ LYS 66 2.271 -8.630 -4.764 538 2HZ LYS 66 2HZ LYS 66 2.635 -7.397 -5.824 539 3HZ LYS 66 3HZ LYS 66 2.512 -8.908 -6.362 540 H VAL 67 HN VAL 67 6.811 -2.333 -6.516 541 HA VAL 67 HA VAL 67 4.350 -1.953 -7.928 542 HB VAL 67 HB VAL 67 2.922 -1.291 -6.143 543 1HG1 VAL 67 1HG1 VAL 67 2.885 -3.636 -6.350 544 2HG1 VAL 67 2HG1 VAL 67 4.225 -3.839 -5.205 545 3HG1 VAL 67 3HG1 VAL 67 2.678 -3.207 -4.641 546 1HG2 VAL 67 1HG2 VAL 67 5.250 -1.372 -4.240 547 2HG2 VAL 67 2HG2 VAL 67 4.316 0.031 -4.781 548 3HG2 VAL 67 3HG2 VAL 67 3.529 -1.185 -3.771 549 HA PRO 68 HA PRO 68 6.248 1.879 -8.489 550 1HB PRO 68 2HB PRO 68 4.147 3.700 -8.606 551 2HB PRO 68 3HB PRO 68 4.629 2.556 -9.898 552 1HG PRO 68 2HG PRO 68 2.413 2.222 -7.918 553 2HG PRO 68 3HG PRO 68 2.429 1.832 -9.669 554 1HD PRO 68 2HD PRO 68 2.769 0.038 -7.648 555 2HD PRO 68 3HD PRO 68 3.563 -0.173 -9.207 556 H LEU 69 HN LEU 69 7.457 2.873 -7.236 557 HA LEU 69 HA LEU 69 6.785 3.359 -4.422 558 1HB LEU 69 2HB LEU 69 9.363 3.482 -6.047 559 2HB LEU 69 3HB LEU 69 9.271 3.752 -4.304 560 HG LEU 69 HG LEU 69 8.562 1.094 -5.458 561 1HD1 LEU 69 1HD1 LEU 69 10.868 0.516 -4.652 562 2HD1 LEU 69 2HD1 LEU 69 10.870 1.603 -6.035 563 3HD1 LEU 69 3HD1 LEU 69 11.195 2.239 -4.405 564 1HD2 LEU 69 1HD2 LEU 69 7.708 1.738 -3.168 565 2HD2 LEU 69 2HD2 LEU 69 8.881 0.420 -3.125 566 3HD2 LEU 69 3HD2 LEU 69 9.374 2.062 -2.662 567 H ILE 70 HN ILE 70 5.847 5.146 -4.003 568 HA ILE 70 HA ILE 70 6.362 7.581 -5.633 569 HB ILE 70 HB ILE 70 4.114 8.169 -5.368 570 1HG1 ILE 70 2HG1 ILE 70 3.652 5.814 -3.511 571 2HG1 ILE 70 3HG1 ILE 70 3.759 7.511 -3.025 572 1HG2 ILE 70 1HG2 ILE 70 3.025 6.503 -6.667 573 2HG2 ILE 70 2HG2 ILE 70 4.730 6.399 -7.071 574 3HG2 ILE 70 3HG2 ILE 70 4.037 5.204 -5.980 575 1HD1 ILE 70 1HD1 ILE 70 1.768 8.089 -4.281 576 2HD1 ILE 70 2HD1 ILE 70 1.609 6.451 -4.895 577 3HD1 ILE 70 3HD1 ILE 70 1.425 6.757 -3.162 578 H THR 71 HN THR 71 5.902 9.710 -4.298 579 HA THR 71 HA THR 71 7.324 9.417 -1.777 580 HB THR 71 HB THR 71 6.853 11.957 -1.736 581 HG1 THR 71 HG1 THR 71 6.127 12.871 -3.567 582 1HG2 THR 71 1HG2 THR 71 8.469 10.935 -4.109 583 2HG2 THR 71 2HG2 THR 71 8.705 12.414 -3.126 584 3HG2 THR 71 3HG2 THR 71 9.018 10.833 -2.416 585 H TYR 72 HN TYR 72 6.355 10.725 0.130 586 HA TYR 72 HA TYR 72 3.796 9.823 0.991 587 1HB TYR 72 2HB TYR 72 5.365 12.305 1.783 588 2HB TYR 72 3HB TYR 72 3.958 11.688 2.629 589 HD1 TYR 72 HD1 TYR 72 4.110 9.091 3.340 590 HD2 TYR 72 HD2 TYR 72 7.481 11.680 2.605 591 HE1 TYR 72 HE1 TYR 72 5.476 7.747 4.886 592 HE2 TYR 72 HE2 TYR 72 8.890 10.275 4.052 593 HH TYR 72 HH TYR 72 8.941 8.476 5.515 594 H SER 73 HN SER 73 4.734 12.926 -0.661 595 HA SER 73 HA SER 73 2.159 14.054 -0.431 596 1HB SER 73 2HB SER 73 3.062 15.620 -2.126 597 2HB SER 73 3HB SER 73 4.116 15.350 -0.724 598 HG SER 73 HG SER 73 4.482 14.645 -3.376 599 H GLU 74 HN GLU 74 3.627 12.019 -2.958 600 HA GLU 74 HA GLU 74 1.402 12.165 -4.815 601 1HB GLU 74 2HB GLU 74 3.681 10.208 -4.400 602 2HB GLU 74 3HB GLU 74 2.358 9.876 -5.519 603 1HG GLU 74 2HG GLU 74 3.270 12.549 -6.068 604 2HG GLU 74 3HG GLU 74 4.691 11.520 -5.932 605 H PHE 75 HN PHE 75 2.221 9.975 -2.020 606 HA PHE 75 HA PHE 75 -0.194 8.454 -2.207 607 1HB PHE 75 2HB PHE 75 1.390 7.608 -0.827 608 2HB PHE 75 3HB PHE 75 1.737 9.113 -0.037 609 HD1 PHE 75 HD1 PHE 75 1.323 9.053 2.207 610 HD2 PHE 75 HD2 PHE 75 -1.432 7.052 -0.420 611 HE1 PHE 75 HE1 PHE 75 0.132 8.102 4.169 612 HE2 PHE 75 HE2 PHE 75 -2.635 6.133 1.527 613 HZ PHE 75 HZ PHE 75 -1.821 6.609 3.841 614 H ILE 76 HN ILE 76 0.256 11.749 -0.755 615 HA ILE 76 HA ILE 76 -2.358 11.807 0.377 616 HB ILE 76 HB ILE 76 -0.600 14.104 -0.611 617 1HG1 ILE 76 2HG1 ILE 76 0.577 13.025 1.126 618 2HG1 ILE 76 3HG1 ILE 76 -0.168 14.417 1.845 619 1HG2 ILE 76 1HG2 ILE 76 -3.074 14.213 1.141 620 2HG2 ILE 76 2HG2 ILE 76 -1.938 15.558 0.878 621 3HG2 ILE 76 3HG2 ILE 76 -2.886 14.916 -0.478 622 1HD1 ILE 76 1HD1 ILE 76 -1.947 12.924 2.823 623 2HD1 ILE 76 2HD1 ILE 76 -1.084 11.519 2.138 624 3HD1 ILE 76 3HD1 ILE 76 -0.295 12.523 3.347 625 H ASP 77 HN ASP 77 -1.418 12.154 -3.012 626 HA ASP 77 HA ASP 77 -3.838 13.393 -3.997 627 1HB ASP 77 2HB ASP 77 -2.217 13.524 -5.413 628 2HB ASP 77 3HB ASP 77 -1.520 11.937 -5.121 629 H LEU 78 HN LEU 78 -3.070 10.127 -2.880 630 HA LEU 78 HA LEU 78 -5.360 9.065 -4.208 631 1HB LEU 78 2HB LEU 78 -3.425 7.940 -2.148 632 2HB LEU 78 3HB LEU 78 -4.700 7.061 -2.885 633 HG LEU 78 HG LEU 78 -2.634 6.588 -3.947 634 1HD1 LEU 78 1HD1 LEU 78 -3.355 6.711 -6.208 635 2HD1 LEU 78 2HD1 LEU 78 -4.833 6.550 -5.204 636 3HD1 LEU 78 3HD1 LEU 78 -4.379 8.116 -5.905 637 1HD2 LEU 78 1HD2 LEU 78 -1.391 7.910 -5.407 638 2HD2 LEU 78 2HD2 LEU 78 -2.415 9.321 -5.140 639 3HD2 LEU 78 3HD2 LEU 78 -1.458 8.644 -3.811 640 H LEU 79 HN LEU 79 -4.954 10.843 -1.158 641 HA LEU 79 HA LEU 79 -7.464 9.861 0.028 642 1HB LEU 79 2HB LEU 79 -5.338 11.784 0.959 643 2HB LEU 79 3HB LEU 79 -6.686 11.182 1.883 644 HG LEU 79 HG LEU 79 -4.785 10.100 2.581 645 1HD1 LEU 79 1HD1 LEU 79 -6.309 8.072 0.888 646 2HD1 LEU 79 2HD1 LEU 79 -5.478 7.750 2.409 647 3HD1 LEU 79 3HD1 LEU 79 -6.948 8.774 2.384 648 1HD2 LEU 79 1HD2 LEU 79 -3.537 10.226 0.441 649 2HD2 LEU 79 2HD2 LEU 79 -3.224 8.883 1.533 650 3HD2 LEU 79 3HD2 LEU 79 -4.194 8.636 0.063 651 H GLU 80 HN GLU 80 -6.928 12.176 -2.321 652 HA GLU 80 HA GLU 80 -7.710 14.563 -1.034 653 1HB GLU 80 2HB GLU 80 -8.118 13.944 -3.965 654 2HB GLU 80 3HB GLU 80 -7.968 15.530 -3.194 655 1HG GLU 80 2HG GLU 80 -5.564 15.032 -2.656 656 2HG GLU 80 3HG GLU 80 -5.814 13.444 -3.296 657 H GLY 81 HN GLY 81 -9.554 14.414 0.196 658 1HA GLY 81 1HA GLY 81 -11.848 14.643 0.582 659 2HA GLY 81 2HA GLY 81 -12.159 14.458 -1.144 660 H GLU 82 HN GLU 82 -10.076 11.924 0.095 661 HA GLU 82 HA GLU 82 -12.408 10.087 0.297 662 1HB GLU 82 2HB GLU 82 -9.688 9.563 -0.965 663 2HB GLU 82 3HB GLU 82 -10.781 8.320 -0.450 664 1HG GLU 82 2HG GLU 82 -11.778 10.350 -2.454 665 2HG GLU 82 3HG GLU 82 -10.814 8.946 -2.938 666 H GLU 83 HN GLU 83 -12.156 8.511 1.920 667 HA GLU 83 HA GLU 83 -9.830 8.461 3.463 668 1HB GLU 83 2HB GLU 83 -10.888 9.454 5.636 669 2HB GLU 83 3HB GLU 83 -10.236 10.552 4.458 670 1HG GLU 83 2HG GLU 83 -12.354 11.126 3.562 671 2HG GLU 83 3HG GLU 83 -13.171 9.810 4.431 672 H LYS 84 HN LYS 84 -10.806 6.416 2.477 673 HA LYS 84 HA LYS 84 -11.576 4.904 4.955 674 1HB LYS 84 2HB LYS 84 -13.098 4.993 2.348 675 2HB LYS 84 3HB LYS 84 -13.087 3.502 3.257 676 1HG LYS 84 2HG LYS 84 -14.695 4.138 4.565 677 2HG LYS 84 3HG LYS 84 -13.742 5.474 5.159 678 1HD LYS 84 2HD LYS 84 -15.484 5.563 2.681 679 2HD LYS 84 3HD LYS 84 -15.976 6.138 4.282 680 1HE LYS 84 2HE LYS 84 -14.237 7.842 4.304 681 2HE LYS 84 3HE LYS 84 -13.505 7.202 2.854 682 1HZ LYS 84 1HZ LYS 84 -14.847 9.137 2.329 683 2HZ LYS 84 2HZ LYS 84 -15.488 7.808 1.616 684 3HZ LYS 84 3HZ LYS 84 -16.201 8.445 2.952 685 H PHE 85 HN PHE 85 -9.090 5.282 3.713 686 HA PHE 85 HA PHE 85 -8.051 2.658 3.605 687 1HB PHE 85 2HB PHE 85 -7.365 2.650 1.125 688 2HB PHE 85 3HB PHE 85 -8.986 2.186 1.565 689 HD1 PHE 85 HD1 PHE 85 -10.080 2.493 -0.463 690 HD2 PHE 85 HD2 PHE 85 -7.742 5.770 1.105 691 HE1 PHE 85 HE1 PHE 85 -11.188 4.069 -2.034 692 HE2 PHE 85 HE2 PHE 85 -8.734 7.260 -0.540 693 HZ PHE 85 HZ PHE 85 -10.518 6.467 -2.079 694 H ILE 86 HN ILE 86 -7.229 4.511 5.083 695 HA ILE 86 HA ILE 86 -4.974 5.965 3.835 696 HB ILE 86 HB ILE 86 -5.343 6.114 6.739 697 1HG1 ILE 86 2HG1 ILE 86 -7.708 6.101 6.217 698 2HG1 ILE 86 3HG1 ILE 86 -7.157 7.633 6.786 699 1HG2 ILE 86 1HG2 ILE 86 -3.731 7.486 5.509 700 2HG2 ILE 86 2HG2 ILE 86 -5.049 8.246 4.599 701 3HG2 ILE 86 3HG2 ILE 86 -4.924 8.489 6.347 702 1HD1 ILE 86 1HD1 ILE 86 -7.827 7.096 3.843 703 2HD1 ILE 86 2HD1 ILE 86 -8.879 7.781 5.080 704 3HD1 ILE 86 3HD1 ILE 86 -7.431 8.655 4.558 705 H GLY 87 HN GLY 87 -2.829 5.718 5.504 706 1HA GLY 87 1HA GLY 87 -2.978 4.282 7.603 707 2HA GLY 87 2HA GLY 87 -2.549 2.979 6.492 Start of MODEL 3 1 1H MET 1 HN MET 1 16.449 1.071 -7.092 2 HA MET 1 HA MET 1 14.171 -0.758 -7.542 3 1HB MET 1 2HB MET 1 16.285 -0.912 -5.402 4 2HB MET 1 3HB MET 1 14.630 -1.379 -5.020 5 1HG MET 1 2HG MET 1 15.171 -3.397 -5.735 6 2HG MET 1 3HG MET 1 14.926 -2.725 -7.343 7 1HE MET 1 1HE MET 1 16.413 -4.119 -8.850 8 2HE MET 1 2HE MET 1 17.823 -4.981 -8.197 9 3HE MET 1 3HE MET 1 16.226 -5.174 -7.435 10 H ALA 2 HN ALA 2 12.710 0.911 -7.712 11 HA ALA 2 HA ALA 2 11.590 1.490 -5.129 12 1HB ALA 2 1HB ALA 2 10.892 3.792 -5.864 13 2HB ALA 2 2HB ALA 2 12.634 3.649 -5.563 14 3HB ALA 2 3HB ALA 2 12.016 3.679 -7.227 15 H LEU 3 HN LEU 3 9.149 1.952 -5.601 16 HA LEU 3 HA LEU 3 8.240 0.923 -8.192 17 1HB LEU 3 2HB LEU 3 7.891 -0.440 -5.503 18 2HB LEU 3 3HB LEU 3 6.588 -0.567 -6.691 19 HG LEU 3 HG LEU 3 9.454 -1.269 -7.440 20 1HD1 LEU 3 1HD1 LEU 3 9.089 -3.542 -7.148 21 2HD1 LEU 3 2HD1 LEU 3 8.587 -2.796 -5.620 22 3HD1 LEU 3 3HD1 LEU 3 7.376 -3.348 -6.825 23 1HD2 LEU 3 1HD2 LEU 3 8.034 -0.812 -9.382 24 2HD2 LEU 3 2HD2 LEU 3 8.285 -2.550 -9.268 25 3HD2 LEU 3 3HD2 LEU 3 6.743 -1.841 -8.732 26 H VAL 4 HN VAL 4 7.116 2.582 -8.833 27 HA VAL 4 HA VAL 4 5.620 4.126 -6.779 28 HB VAL 4 HB VAL 4 6.172 6.077 -7.863 29 1HG1 VAL 4 1HG1 VAL 4 8.067 5.089 -6.578 30 2HG1 VAL 4 2HG1 VAL 4 8.752 4.511 -8.116 31 3HG1 VAL 4 3HG1 VAL 4 8.554 6.249 -7.830 32 1HG2 VAL 4 1HG2 VAL 4 7.625 5.891 -10.091 33 2HG2 VAL 4 2HG2 VAL 4 6.576 4.409 -10.247 34 3HG2 VAL 4 3HG2 VAL 4 5.839 5.979 -10.032 35 H LEU 5 HN LEU 5 4.442 1.910 -7.816 36 HA LEU 5 HA LEU 5 2.216 3.130 -9.044 37 1HB LEU 5 2HB LEU 5 1.931 1.626 -10.942 38 2HB LEU 5 3HB LEU 5 3.287 2.718 -11.059 39 HG LEU 5 HG LEU 5 4.506 0.449 -9.982 40 1HD1 LEU 5 1HD1 LEU 5 2.386 -0.865 -10.280 41 2HD1 LEU 5 2HD1 LEU 5 2.410 -0.485 -12.015 42 3HD1 LEU 5 3HD1 LEU 5 3.688 -1.470 -11.283 43 1HD2 LEU 5 1HD2 LEU 5 4.144 1.125 -12.916 44 2HD2 LEU 5 2HD2 LEU 5 5.335 1.847 -11.823 45 3HD2 LEU 5 3HD2 LEU 5 5.433 0.127 -12.212 46 H VAL 6 HN VAL 6 0.431 2.112 -7.912 47 HA VAL 6 HA VAL 6 0.736 -0.737 -7.396 48 HB VAL 6 HB VAL 6 1.752 0.104 -5.455 49 1HG1 VAL 6 1HG1 VAL 6 0.686 1.537 -3.803 50 2HG1 VAL 6 2HG1 VAL 6 0.893 2.386 -5.316 51 3HG1 VAL 6 3HG1 VAL 6 -0.707 1.766 -4.864 52 1HG2 VAL 6 1HG2 VAL 6 0.265 -1.872 -5.169 53 2HG2 VAL 6 2HG2 VAL 6 0.480 -0.911 -3.701 54 3HG2 VAL 6 3HG2 VAL 6 -0.996 -0.770 -4.542 55 H LYS 7 HN LYS 7 -0.761 0.040 -9.281 56 HA LYS 7 HA LYS 7 -3.562 -0.069 -8.203 57 1HB LYS 7 2HB LYS 7 -4.244 1.025 -10.345 58 2HB LYS 7 3HB LYS 7 -3.304 2.025 -9.284 59 1HG LYS 7 2HG LYS 7 -1.881 0.540 -11.529 60 2HG LYS 7 3HG LYS 7 -2.873 1.937 -11.900 61 1HD LYS 7 2HD LYS 7 -1.521 3.150 -10.013 62 2HD LYS 7 3HD LYS 7 -0.369 1.832 -10.212 63 1HE LYS 7 2HE LYS 7 0.532 3.384 -11.638 64 2HE LYS 7 3HE LYS 7 -0.487 2.482 -12.764 65 1HZ LYS 7 1HZ LYS 7 -1.097 5.086 -11.475 66 2HZ LYS 7 2HZ LYS 7 -0.816 4.827 -13.051 67 3HZ LYS 7 3HZ LYS 7 -2.201 4.245 -12.361 68 H TYR 8 HN TYR 8 -1.816 -2.428 -8.684 69 HA TYR 8 HA TYR 8 -3.586 -3.858 -10.617 70 1HB TYR 8 2HB TYR 8 -0.544 -3.637 -10.720 71 2HB TYR 8 3HB TYR 8 -1.421 -4.916 -11.526 72 HD1 TYR 8 HD1 TYR 8 -3.531 -4.124 -12.959 73 HD2 TYR 8 HD2 TYR 8 0.051 -1.842 -12.182 74 HE1 TYR 8 HE1 TYR 8 -3.920 -2.830 -15.016 75 HE2 TYR 8 HE2 TYR 8 -0.305 -0.563 -14.261 76 HH TYR 8 HH TYR 8 -1.545 -0.478 -16.285 77 H GLY 9 HN GLY 9 -3.549 -3.868 -7.729 78 1HA GLY 9 1HA GLY 9 -3.743 -5.356 -6.034 79 2HA GLY 9 2HA GLY 9 -3.577 -6.680 -7.196 80 H THR 10 HN THR 10 -1.111 -6.616 -7.954 81 HA THR 10 HA THR 10 0.417 -6.933 -5.402 82 HB THR 10 HB THR 10 1.076 -9.123 -6.525 83 HG1 THR 10 HG1 THR 10 0.293 -9.361 -8.410 84 1HG2 THR 10 1HG2 THR 10 -1.828 -8.695 -5.665 85 2HG2 THR 10 2HG2 THR 10 -0.958 -10.231 -5.716 86 3HG2 THR 10 3HG2 THR 10 -0.454 -8.973 -4.572 87 H ASP 11 HN ASP 11 1.186 -4.752 -7.300 88 HA ASP 11 HA ASP 11 3.812 -5.888 -8.169 89 1HB ASP 11 2HB ASP 11 2.028 -5.146 -9.863 90 2HB ASP 11 3HB ASP 11 2.420 -3.493 -9.414 91 H HIS 12 HN HIS 12 3.662 -4.836 -5.484 92 HA HIS 12 HA HIS 12 5.869 -3.022 -5.511 93 1HB HIS 12 2HB HIS 12 4.939 -1.030 -4.929 94 2HB HIS 12 3HB HIS 12 3.589 -1.617 -5.857 95 HD1 HIS 12 HD1 HIS 12 2.610 -3.622 -3.237 96 HD2 HIS 12 HD2 HIS 12 3.507 0.502 -3.311 97 HE1 HIS 12 HE1 HIS 12 1.507 -2.632 -1.243 98 HA PRO 13 HA PRO 13 6.409 -5.144 -1.716 99 1HB PRO 13 2HB PRO 13 7.566 -3.472 0.049 100 2HB PRO 13 3HB PRO 13 8.388 -3.918 -1.459 101 1HG PRO 13 2HG PRO 13 6.838 -1.373 -0.932 102 2HG PRO 13 3HG PRO 13 8.464 -1.555 -1.665 103 1HD PRO 13 2HD PRO 13 6.175 -1.309 -3.138 104 2HD PRO 13 3HD PRO 13 7.560 -2.287 -3.703 105 H VAL 14 HN VAL 14 5.550 -5.583 0.512 106 HA VAL 14 HA VAL 14 4.499 -4.171 2.316 107 HB VAL 14 HB VAL 14 2.478 -4.253 0.170 108 1HG1 VAL 14 1HG1 VAL 14 1.694 -4.853 3.040 109 2HG1 VAL 14 2HG1 VAL 14 0.582 -4.152 1.866 110 3HG1 VAL 14 3HG1 VAL 14 1.252 -5.749 1.557 111 1HG2 VAL 14 1HG2 VAL 14 2.693 -2.605 2.744 112 2HG2 VAL 14 2HG2 VAL 14 3.519 -2.140 1.277 113 3HG2 VAL 14 3HG2 VAL 14 1.785 -2.162 1.286 114 H GLU 15 HN GLU 15 3.518 -6.988 0.290 115 HA GLU 15 HA GLU 15 4.210 -8.764 2.634 116 1HB GLU 15 2HB GLU 15 1.501 -8.604 1.206 117 2HB GLU 15 3HB GLU 15 1.988 -9.993 2.136 118 1HG GLU 15 2HG GLU 15 2.527 -8.349 4.024 119 2HG GLU 15 3HG GLU 15 1.679 -7.147 3.123 120 H LYS 16 HN LYS 16 5.579 -8.148 0.194 121 HA LYS 16 HA LYS 16 6.681 -10.666 -0.158 122 1HB LYS 16 2HB LYS 16 4.471 -10.894 -1.628 123 2HB LYS 16 3HB LYS 16 5.354 -9.904 -2.770 124 1HG LYS 16 2HG LYS 16 5.763 -12.064 -3.413 125 2HG LYS 16 3HG LYS 16 7.268 -11.573 -2.663 126 1HD LYS 16 2HD LYS 16 6.916 -12.898 -0.725 127 2HD LYS 16 3HD LYS 16 5.175 -13.022 -0.985 128 1HE LYS 16 2HE LYS 16 7.285 -14.311 -2.761 129 2HE LYS 16 3HE LYS 16 6.431 -15.131 -1.440 130 1HZ LYS 16 1HZ LYS 16 5.176 -13.994 -3.856 131 2HZ LYS 16 2HZ LYS 16 5.300 -15.583 -3.510 132 3HZ LYS 16 3HZ LYS 16 4.327 -14.577 -2.609 133 H LEU 17 HN LEU 17 6.088 -7.985 -2.513 134 HA LEU 17 HA LEU 17 8.697 -7.920 -3.343 135 1HB LEU 17 2HB LEU 17 6.404 -6.259 -3.672 136 2HB LEU 17 3HB LEU 17 7.792 -5.204 -3.545 137 HG LEU 17 HG LEU 17 7.255 -5.654 -5.830 138 1HD1 LEU 17 1HD1 LEU 17 9.529 -6.324 -6.572 139 2HD1 LEU 17 2HD1 LEU 17 9.530 -5.111 -5.284 140 3HD1 LEU 17 3HD1 LEU 17 9.927 -6.781 -4.906 141 1HD2 LEU 17 1HD2 LEU 17 7.892 -8.584 -5.311 142 2HD2 LEU 17 2HD2 LEU 17 6.301 -7.891 -5.656 143 3HD2 LEU 17 3HD2 LEU 17 7.565 -7.829 -6.879 144 H LYS 18 HN LYS 18 7.449 -6.617 -0.403 145 HA LYS 18 HA LYS 18 9.581 -4.877 0.323 146 1HB LYS 18 2HB LYS 18 8.691 -4.680 2.349 147 2HB LYS 18 3HB LYS 18 7.296 -5.400 1.619 148 1HG LYS 18 2HG LYS 18 9.373 -6.998 3.185 149 2HG LYS 18 3HG LYS 18 8.029 -6.212 3.944 150 1HD LYS 18 2HD LYS 18 6.427 -7.593 3.020 151 2HD LYS 18 3HD LYS 18 7.447 -8.083 1.666 152 1HE LYS 18 2HE LYS 18 6.973 -9.833 3.324 153 2HE LYS 18 3HE LYS 18 8.705 -9.565 2.985 154 1HZ LYS 18 1HZ LYS 18 7.304 -8.589 5.382 155 2HZ LYS 18 2HZ LYS 18 8.142 -9.952 5.360 156 3HZ LYS 18 3HZ LYS 18 8.958 -8.549 5.120 157 H ILE 19 HN ILE 19 9.282 -8.418 0.522 158 HA ILE 19 HA ILE 19 11.532 -8.824 2.182 159 HB ILE 19 HB ILE 19 9.361 -10.247 1.131 160 1HG1 ILE 19 2HG1 ILE 19 11.508 -11.748 2.599 161 2HG1 ILE 19 3HG1 ILE 19 10.572 -10.466 3.373 162 1HG2 ILE 19 1HG2 ILE 19 11.773 -11.742 0.085 163 2HG2 ILE 19 2HG2 ILE 19 10.085 -12.291 0.110 164 3HG2 ILE 19 3HG2 ILE 19 10.534 -10.931 -0.906 165 1HD1 ILE 19 1HD1 ILE 19 9.481 -13.036 2.168 166 2HD1 ILE 19 2HD1 ILE 19 9.340 -12.447 3.829 167 3HD1 ILE 19 3HD1 ILE 19 8.439 -11.647 2.533 168 H ARG 20 HN ARG 20 11.091 -8.530 -1.297 169 HA ARG 20 HA ARG 20 13.796 -9.323 -1.967 170 1HB ARG 20 2HB ARG 20 11.735 -7.722 -3.548 171 2HB ARG 20 3HB ARG 20 13.256 -8.332 -4.178 172 1HG ARG 20 2HG ARG 20 12.325 -10.235 -4.731 173 2HG ARG 20 3HG ARG 20 11.987 -10.615 -3.037 174 1HD ARG 20 2HD ARG 20 9.756 -10.030 -3.218 175 2HD ARG 20 3HD ARG 20 10.075 -8.812 -4.457 176 HE ARG 20 HE ARG 20 9.376 -11.549 -4.894 177 1HH1 ARG 20 2HH2 ARG 20 11.171 -8.800 -6.511 178 2HH1 ARG 20 1HH2 ARG 20 10.440 -9.140 -8.013 179 1HH2 ARG 20 2HH1 ARG 20 8.551 -11.910 -6.996 180 2HH2 ARG 20 1HH1 ARG 20 9.220 -11.059 -8.347 181 H SER 21 HN SER 21 12.532 -6.264 -0.721 182 HA SER 21 HA SER 21 15.021 -5.080 -0.430 183 1HB SER 21 2HB SER 21 14.051 -4.796 -3.142 184 2HB SER 21 3HB SER 21 13.918 -3.225 -2.367 185 HG SER 21 HG SER 21 16.183 -4.778 -2.877 186 H ALA 22 HN ALA 22 13.946 -4.809 1.614 187 HA ALA 22 HA ALA 22 12.958 -2.196 1.991 188 1HB ALA 22 1HB ALA 22 10.753 -2.684 2.994 189 2HB ALA 22 2HB ALA 22 10.733 -3.279 1.342 190 3HB ALA 22 3HB ALA 22 10.985 -4.421 2.696 191 H LYS 23 HN LYS 23 12.164 -2.024 4.430 192 HA LYS 23 HA LYS 23 12.943 -4.090 6.142 193 1HB LYS 23 2HB LYS 23 15.141 -2.416 5.585 194 2HB LYS 23 3HB LYS 23 14.476 -1.699 7.029 195 1HG LYS 23 2HG LYS 23 16.010 -3.387 7.805 196 2HG LYS 23 3HG LYS 23 14.416 -4.067 8.048 197 1HD LYS 23 2HD LYS 23 15.779 -5.792 7.100 198 2HD LYS 23 3HD LYS 23 14.646 -5.275 5.847 199 1HE LYS 23 2HE LYS 23 16.647 -3.699 5.117 200 2HE LYS 23 3HE LYS 23 17.622 -4.811 6.085 201 1HZ LYS 23 1HZ LYS 23 17.573 -5.600 3.874 202 2HZ LYS 23 2HZ LYS 23 16.596 -6.614 4.720 203 3HZ LYS 23 3HZ LYS 23 15.922 -5.447 3.762 204 H ALA 24 HN ALA 24 13.072 -2.720 8.596 205 HA ALA 24 HA ALA 24 10.259 -2.215 8.912 206 1HB ALA 24 1HB ALA 24 11.783 -3.234 10.673 207 2HB ALA 24 2HB ALA 24 12.555 -1.629 10.854 208 3HB ALA 24 3HB ALA 24 10.837 -1.851 11.249 209 H GLU 25 HN GLU 25 13.164 -0.184 8.550 210 HA GLU 25 HA GLU 25 11.671 2.268 9.171 211 1HB GLU 25 2HB GLU 25 14.279 1.496 9.547 212 2HB GLU 25 3HB GLU 25 14.407 2.331 7.999 213 1HG GLU 25 2HG GLU 25 13.077 3.522 10.471 214 2HG GLU 25 3HG GLU 25 14.799 3.674 10.185 215 H ASP 26 HN ASP 26 10.553 0.852 7.083 216 HA ASP 26 HA ASP 26 11.314 2.549 4.794 217 1HB ASP 26 2HB ASP 26 11.702 -0.052 4.911 218 2HB ASP 26 3HB ASP 26 10.011 -0.139 4.398 219 H LYS 27 HN LYS 27 9.195 2.554 3.143 220 HA LYS 27 HA LYS 27 6.782 3.144 4.766 221 1HB LYS 27 2HB LYS 27 8.376 5.097 3.099 222 2HB LYS 27 3HB LYS 27 6.761 5.431 3.675 223 1HG LYS 27 2HG LYS 27 7.805 6.466 5.399 224 2HG LYS 27 3HG LYS 27 8.072 4.850 6.047 225 1HD LYS 27 2HD LYS 27 10.257 4.876 4.617 226 2HD LYS 27 3HD LYS 27 9.937 6.609 4.422 227 1HE LYS 27 2HE LYS 27 9.839 6.721 6.994 228 2HE LYS 27 3HE LYS 27 10.464 5.058 6.989 229 1HZ LYS 27 1HZ LYS 27 11.759 7.520 6.127 230 2HZ LYS 27 2HZ LYS 27 12.310 6.316 7.157 231 3HZ LYS 27 3HZ LYS 27 12.276 6.057 5.524 232 H ILE 28 HN ILE 28 4.851 2.829 3.643 233 HA ILE 28 HA ILE 28 4.824 2.749 0.730 234 HB ILE 28 HB ILE 28 3.916 0.289 2.198 235 1HG1 ILE 28 2HG1 ILE 28 6.790 0.358 1.128 236 2HG1 ILE 28 3HG1 ILE 28 6.408 0.486 2.851 237 1HG2 ILE 28 1HG2 ILE 28 3.385 0.652 -0.201 238 2HG2 ILE 28 2HG2 ILE 28 5.092 0.939 -0.587 239 3HG2 ILE 28 3HG2 ILE 28 4.521 -0.654 -0.127 240 1HD1 ILE 28 1HD1 ILE 28 5.226 -1.647 2.773 241 2HD1 ILE 28 2HD1 ILE 28 5.843 -1.874 1.123 242 3HD1 ILE 28 3HD1 ILE 28 6.979 -1.737 2.471 243 H VAL 29 HN VAL 29 2.567 2.239 -0.041 244 HA VAL 29 HA VAL 29 0.317 2.398 1.707 245 HB VAL 29 HB VAL 29 1.019 4.693 -0.111 246 1HG1 VAL 29 1HG1 VAL 29 -1.403 5.517 0.284 247 2HG1 VAL 29 2HG1 VAL 29 -1.271 4.170 -0.795 248 3HG1 VAL 29 3HG1 VAL 29 -1.780 3.915 0.898 249 1HG2 VAL 29 1HG2 VAL 29 0.541 4.390 2.799 250 2HG2 VAL 29 2HG2 VAL 29 1.591 5.498 1.891 251 3HG2 VAL 29 3HG2 VAL 29 -0.121 5.851 2.065 252 H LEU 30 HN LEU 30 -1.666 1.836 0.295 253 HA LEU 30 HA LEU 30 -1.041 0.645 -2.399 254 1HB LEU 30 2HB LEU 30 -3.498 -0.251 -1.005 255 2HB LEU 30 3HB LEU 30 -2.317 -1.185 -1.878 256 HG LEU 30 HG LEU 30 -2.096 -0.358 1.041 257 1HD1 LEU 30 1HD1 LEU 30 -2.583 -2.795 1.441 258 2HD1 LEU 30 2HD1 LEU 30 -3.952 -1.883 0.797 259 3HD1 LEU 30 3HD1 LEU 30 -3.053 -2.923 -0.270 260 1HD2 LEU 30 1HD2 LEU 30 -0.468 -2.271 -0.646 261 2HD2 LEU 30 2HD2 LEU 30 0.119 -0.782 0.110 262 3HD2 LEU 30 3HD2 LEU 30 -0.385 -2.143 1.132 263 H ILE 31 HN ILE 31 -2.568 0.886 -4.070 264 HA ILE 31 HA ILE 31 -4.932 2.552 -3.465 265 HB ILE 31 HB ILE 31 -4.556 4.079 -5.030 266 1HG1 ILE 31 2HG1 ILE 31 -2.340 2.456 -6.253 267 2HG1 ILE 31 3HG1 ILE 31 -3.931 2.427 -6.836 268 1HG2 ILE 31 1HG2 ILE 31 -1.645 3.764 -4.249 269 2HG2 ILE 31 2HG2 ILE 31 -2.544 5.247 -4.592 270 3HG2 ILE 31 3HG2 ILE 31 -2.872 4.346 -3.129 271 1HD1 ILE 31 1HD1 ILE 31 -2.709 3.939 -8.197 272 2HD1 ILE 31 2HD1 ILE 31 -3.869 4.875 -7.225 273 3HD1 ILE 31 3HD1 ILE 31 -2.161 4.866 -6.779 274 H GLN 32 HN GLN 32 -6.303 2.643 -5.454 275 HA GLN 32 HA GLN 32 -7.850 1.525 -6.559 276 1HB GLN 32 2HB GLN 32 -5.412 0.903 -8.173 277 2HB GLN 32 3HB GLN 32 -7.053 0.830 -8.780 278 1HG GLN 32 2HG GLN 32 -6.501 3.397 -7.430 279 2HG GLN 32 3HG GLN 32 -5.421 3.106 -8.741 280 1HE2 GLN 32 1HE2 GLN 32 -8.709 3.916 -7.757 281 2HE2 GLN 32 2HE2 GLN 32 -9.497 3.693 -9.293 282 H ASN 33 HN ASN 33 -5.997 -0.947 -8.006 283 HA ASN 33 HA ASN 33 -7.508 -3.099 -6.640 284 1HB ASN 33 2HB ASN 33 -5.470 -3.260 -8.936 285 2HB ASN 33 3HB ASN 33 -6.340 -4.568 -8.218 286 1HD2 ASN 33 1HD2 ASN 33 -6.945 -1.647 -10.299 287 2HD2 ASN 33 2HD2 ASN 33 -8.559 -2.144 -10.703 288 H GLY 34 HN GLY 34 -4.367 -1.580 -6.470 289 1HA GLY 34 1HA GLY 34 -2.570 -3.411 -5.309 290 2HA GLY 34 2HA GLY 34 -2.739 -1.702 -5.058 291 H VAL 35 HN VAL 35 -5.471 -1.794 -3.978 292 HA VAL 35 HA VAL 35 -5.079 -2.103 -1.257 293 HB VAL 35 HB VAL 35 -7.454 -2.156 -1.077 294 1HG1 VAL 35 1HG1 VAL 35 -7.992 -0.063 -2.102 295 2HG1 VAL 35 2HG1 VAL 35 -6.290 -0.021 -1.623 296 3HG1 VAL 35 3HG1 VAL 35 -6.726 -0.257 -3.324 297 1HG2 VAL 35 1HG2 VAL 35 -8.838 -2.096 -3.282 298 2HG2 VAL 35 2HG2 VAL 35 -7.437 -2.842 -4.044 299 3HG2 VAL 35 3HG2 VAL 35 -8.257 -3.677 -2.720 300 H PHE 36 HN PHE 36 -5.650 -4.777 -3.600 301 HA PHE 36 HA PHE 36 -6.313 -6.910 -2.025 302 1HB PHE 36 2HB PHE 36 -4.285 -6.667 -4.275 303 2HB PHE 36 3HB PHE 36 -4.889 -8.173 -3.648 304 HD1 PHE 36 HD1 PHE 36 -5.199 -8.431 -6.187 305 HD2 PHE 36 HD2 PHE 36 -7.686 -5.815 -3.794 306 HE1 PHE 36 HE1 PHE 36 -6.928 -8.417 -7.953 307 HE2 PHE 36 HE2 PHE 36 -9.395 -5.862 -5.533 308 HZ PHE 36 HZ PHE 36 -9.030 -7.122 -7.626 309 H TRP 37 HN TRP 37 -3.181 -5.173 -2.058 310 HA TRP 37 HA TRP 37 -1.655 -7.187 -0.741 311 1HB TRP 37 2HB TRP 37 -1.489 -4.173 -0.856 312 2HB TRP 37 3HB TRP 37 -0.379 -5.120 0.096 313 HD1 TRP 37 HD1 TRP 37 -0.739 -3.699 -3.245 314 HE1 TRP 37 HE1 TRP 37 1.093 -4.569 -4.789 315 HE3 TRP 37 HE3 TRP 37 0.794 -7.606 -0.452 316 HZ2 TRP 37 HZ2 TRP 37 3.123 -6.743 -4.740 317 HZ3 TRP 37 HZ3 TRP 37 2.649 -9.109 -1.185 318 HH2 TRP 37 HH2 TRP 37 3.856 -8.604 -3.359 319 H ALA 38 HN ALA 38 -4.276 -5.218 0.550 320 HA ALA 38 HA ALA 38 -3.378 -5.522 3.385 321 1HB ALA 38 1HB ALA 38 -5.406 -4.172 3.826 322 2HB ALA 38 2HB ALA 38 -4.476 -3.337 2.590 323 3HB ALA 38 3HB ALA 38 -5.907 -4.288 2.131 324 H LEU 39 HN LEU 39 -3.667 -7.885 1.863 325 HA LEU 39 HA LEU 39 -5.127 -9.529 3.533 326 1HB LEU 39 2HB LEU 39 -7.046 -10.135 2.244 327 2HB LEU 39 3HB LEU 39 -7.166 -8.571 2.976 328 HG LEU 39 HG LEU 39 -6.629 -8.949 -0.014 329 1HD1 LEU 39 1HD1 LEU 39 -8.846 -9.872 0.987 330 2HD1 LEU 39 2HD1 LEU 39 -9.165 -8.218 1.575 331 3HD1 LEU 39 3HD1 LEU 39 -9.036 -8.568 -0.183 332 1HD2 LEU 39 1HD2 LEU 39 -6.066 -6.682 0.557 333 2HD2 LEU 39 2HD2 LEU 39 -7.623 -6.684 -0.234 334 3HD2 LEU 39 3HD2 LEU 39 -7.541 -6.486 1.528 335 H GLU 40 HN GLU 40 -2.744 -9.830 2.736 336 HA GLU 40 HA GLU 40 -2.880 -12.229 0.970 337 1HB GLU 40 2HB GLU 40 -0.427 -10.520 1.451 338 2HB GLU 40 3HB GLU 40 -0.565 -11.866 0.354 339 1HG GLU 40 2HG GLU 40 -2.314 -9.401 0.015 340 2HG GLU 40 3HG GLU 40 -0.642 -9.386 -0.476 341 H GLU 41 HN GLU 41 -0.288 -13.198 1.834 342 HA GLU 41 HA GLU 41 -1.032 -14.198 4.537 343 1HB GLU 41 2HB GLU 41 0.475 -15.578 2.277 344 2HB GLU 41 3HB GLU 41 0.279 -16.214 3.914 345 1HG GLU 41 2HG GLU 41 -2.206 -16.209 3.587 346 2HG GLU 41 3HG GLU 41 -1.914 -15.819 1.879 347 H LEU 42 HN LEU 42 0.369 -11.833 4.581 348 HA LEU 42 HA LEU 42 2.988 -12.609 5.685 349 1HB LEU 42 2HB LEU 42 2.499 -11.961 2.897 350 2HB LEU 42 3HB LEU 42 3.578 -10.732 3.597 351 HG LEU 42 HG LEU 42 4.481 -13.364 4.420 352 1HD1 LEU 42 1HD1 LEU 42 3.395 -14.353 2.499 353 2HD1 LEU 42 2HD1 LEU 42 4.029 -13.117 1.421 354 3HD1 LEU 42 3HD1 LEU 42 5.131 -14.280 2.156 355 1HD2 LEU 42 1HD2 LEU 42 6.563 -12.717 3.422 356 2HD2 LEU 42 2HD2 LEU 42 5.784 -11.458 2.457 357 3HD2 LEU 42 3HD2 LEU 42 5.856 -11.315 4.239 358 H GLU 43 HN GLU 43 4.158 -10.001 5.324 359 HA GLU 43 HA GLU 43 2.492 -7.939 6.176 360 1HB GLU 43 2HB GLU 43 3.332 -7.550 8.420 361 2HB GLU 43 3HB GLU 43 2.391 -9.033 8.328 362 1HG GLU 43 2HG GLU 43 4.587 -10.321 8.116 363 2HG GLU 43 3HG GLU 43 5.395 -8.774 8.402 364 H THR 44 HN THR 44 3.897 -6.011 6.558 365 HA THR 44 HA THR 44 6.799 -6.282 5.920 366 HB THR 44 HB THR 44 5.657 -4.937 4.152 367 HG1 THR 44 HG1 THR 44 7.129 -3.215 4.339 368 1HG2 THR 44 1HG2 THR 44 5.319 -2.918 6.321 369 2HG2 THR 44 2HG2 THR 44 4.877 -2.847 4.602 370 3HG2 THR 44 3HG2 THR 44 4.057 -3.981 5.716 371 HA PRO 45 HA PRO 45 6.934 -4.436 9.993 372 1HB PRO 45 2HB PRO 45 9.554 -3.900 10.145 373 2HB PRO 45 3HB PRO 45 8.916 -5.541 10.302 374 1HG PRO 45 2HG PRO 45 10.282 -4.216 7.958 375 2HG PRO 45 3HG PRO 45 10.435 -5.904 8.502 376 1HD PRO 45 2HD PRO 45 8.820 -4.898 6.481 377 2HD PRO 45 3HD PRO 45 8.586 -6.500 7.256 378 H ALA 46 HN ALA 46 7.411 -2.933 6.968 379 HA ALA 46 HA ALA 46 8.097 -0.248 7.771 380 1HB ALA 46 1HB ALA 46 7.551 0.211 5.403 381 2HB ALA 46 2HB ALA 46 8.466 -1.300 5.500 382 3HB ALA 46 3HB ALA 46 6.711 -1.302 5.261 383 H LYS 47 HN LYS 47 6.359 1.693 7.011 384 HA LYS 47 HA LYS 47 3.903 1.115 8.447 385 1HB LYS 47 2HB LYS 47 3.468 3.409 8.097 386 2HB LYS 47 3HB LYS 47 5.053 3.189 8.832 387 1HG LYS 47 2HG LYS 47 6.137 3.482 6.645 388 2HG LYS 47 3HG LYS 47 4.535 3.642 5.887 389 1HD LYS 47 2HD LYS 47 4.432 5.544 7.787 390 2HD LYS 47 3HD LYS 47 6.170 5.592 7.444 391 1HE LYS 47 2HE LYS 47 5.373 5.640 4.954 392 2HE LYS 47 3HE LYS 47 3.795 6.003 5.614 393 1HZ LYS 47 1HZ LYS 47 4.709 8.006 6.602 394 2HZ LYS 47 2HZ LYS 47 6.192 7.729 6.046 395 3HZ LYS 47 3HZ LYS 47 4.995 8.029 4.976 396 H VAL 48 HN VAL 48 1.881 0.798 7.438 397 HA VAL 48 HA VAL 48 1.820 0.765 4.504 398 HB VAL 48 HB VAL 48 0.784 -1.477 6.309 399 1HG1 VAL 48 1HG1 VAL 48 0.912 -1.126 3.279 400 2HG1 VAL 48 2HG1 VAL 48 0.504 -2.651 4.094 401 3HG1 VAL 48 3HG1 VAL 48 -0.557 -1.243 4.274 402 1HG2 VAL 48 1HG2 VAL 48 2.511 -2.829 5.093 403 2HG2 VAL 48 2HG2 VAL 48 3.262 -1.296 4.558 404 3HG2 VAL 48 3HG2 VAL 48 3.177 -1.700 6.279 405 H TYR 49 HN TYR 49 0.015 1.545 3.827 406 HA TYR 49 HA TYR 49 -2.362 1.724 5.507 407 1HB TYR 49 2HB TYR 49 -1.078 4.129 4.186 408 2HB TYR 49 3HB TYR 49 -2.596 4.098 5.011 409 HD1 TYR 49 HD1 TYR 49 1.095 4.082 5.434 410 HD2 TYR 49 HD2 TYR 49 -2.665 4.133 7.561 411 HE1 TYR 49 HE1 TYR 49 2.208 5.005 7.441 412 HE2 TYR 49 HE2 TYR 49 -1.514 4.958 9.578 413 HH TYR 49 HH TYR 49 0.941 4.900 10.500 414 H ALA 50 HN ALA 50 -4.204 2.466 3.880 415 HA ALA 50 HA ALA 50 -3.520 1.803 1.019 416 1HB ALA 50 1HB ALA 50 -5.611 0.409 2.680 417 2HB ALA 50 2HB ALA 50 -5.029 0.040 1.029 418 3HB ALA 50 3HB ALA 50 -3.985 -0.229 2.423 419 H ILE 51 HN ILE 51 -5.172 2.665 -0.394 420 HA ILE 51 HA ILE 51 -6.630 4.991 0.682 421 HB ILE 51 HB ILE 51 -6.230 3.913 -2.156 422 1HG1 ILE 51 2HG1 ILE 51 -4.185 4.796 -1.522 423 2HG1 ILE 51 3HG1 ILE 51 -4.995 6.046 -2.450 424 1HG2 ILE 51 1HG2 ILE 51 -7.220 5.990 -2.966 425 2HG2 ILE 51 2HG2 ILE 51 -8.388 5.286 -1.861 426 3HG2 ILE 51 3HG2 ILE 51 -7.415 6.631 -1.322 427 1HD1 ILE 51 1HD1 ILE 51 -4.421 5.916 0.530 428 2HD1 ILE 51 2HD1 ILE 51 -3.973 7.139 -0.678 429 3HD1 ILE 51 3HD1 ILE 51 -5.643 7.032 -0.116 430 H LYS 52 HN LYS 52 -8.090 4.596 1.889 431 HA LYS 52 HA LYS 52 -10.141 2.805 1.814 432 1HB LYS 52 2HB LYS 52 -9.770 4.440 3.621 433 2HB LYS 52 3HB LYS 52 -10.235 5.775 2.563 434 1HG LYS 52 2HG LYS 52 -12.475 5.358 2.752 435 2HG LYS 52 3HG LYS 52 -12.245 3.607 2.743 436 1HD LYS 52 2HD LYS 52 -13.153 4.051 4.758 437 2HD LYS 52 3HD LYS 52 -11.444 3.712 5.092 438 1HE LYS 52 2HE LYS 52 -11.006 5.981 5.646 439 2HE LYS 52 3HE LYS 52 -12.558 6.532 4.960 440 1HZ LYS 52 1HZ LYS 52 -12.722 4.556 7.086 441 2HZ LYS 52 2HZ LYS 52 -12.271 6.075 7.548 442 3HZ LYS 52 3HZ LYS 52 -13.698 5.789 6.752 443 H ASP 53 HN ASP 53 -10.234 5.953 0.087 444 HA ASP 53 HA ASP 53 -12.847 5.427 -0.874 445 1HB ASP 53 2HB ASP 53 -11.294 7.611 -0.928 446 2HB ASP 53 3HB ASP 53 -11.120 7.133 -2.631 447 H ASP 54 HN ASP 54 -9.686 4.531 -2.314 448 HA ASP 54 HA ASP 54 -10.779 3.501 -4.743 449 1HB ASP 54 2HB ASP 54 -8.155 3.283 -3.261 450 2HB ASP 54 3HB ASP 54 -8.517 2.118 -4.510 451 H PHE 55 HN PHE 55 -10.193 2.090 -1.519 452 HA PHE 55 HA PHE 55 -10.627 -0.661 -2.243 453 1HB PHE 55 2HB PHE 55 -9.544 0.436 -0.181 454 2HB PHE 55 3HB PHE 55 -11.146 0.656 0.450 455 HD1 PHE 55 HD1 PHE 55 -9.586 -2.368 -1.231 456 HD2 PHE 55 HD2 PHE 55 -11.203 -0.711 2.366 457 HE1 PHE 55 HE1 PHE 55 -9.297 -4.546 -0.130 458 HE2 PHE 55 HE2 PHE 55 -11.095 -2.941 3.418 459 HZ PHE 55 HZ PHE 55 -10.097 -4.865 2.190 460 H LEU 56 HN LEU 56 -12.676 1.926 -0.948 461 HA LEU 56 HA LEU 56 -15.149 0.469 -0.850 462 1HB LEU 56 2HB LEU 56 -14.529 3.441 -1.176 463 2HB LEU 56 3HB LEU 56 -16.127 2.792 -0.807 464 HG LEU 56 HG LEU 56 -13.698 2.293 1.009 465 1HD1 LEU 56 1HD1 LEU 56 -15.848 4.463 1.164 466 2HD1 LEU 56 2HD1 LEU 56 -14.661 4.115 2.432 467 3HD1 LEU 56 3HD1 LEU 56 -14.096 4.712 0.862 468 1HD2 LEU 56 1HD2 LEU 56 -15.436 1.776 2.684 469 2HD2 LEU 56 2HD2 LEU 56 -16.727 2.221 1.544 470 3HD2 LEU 56 3HD2 LEU 56 -15.752 0.789 1.254 471 H ALA 57 HN ALA 57 -13.602 2.537 -3.359 472 HA ALA 57 HA ALA 57 -15.595 2.027 -5.298 473 1HB ALA 57 1HB ALA 57 -13.974 3.858 -5.517 474 2HB ALA 57 2HB ALA 57 -12.664 2.691 -5.751 475 3HB ALA 57 3HB ALA 57 -13.962 2.818 -6.950 476 H ARG 58 HN ARG 58 -13.137 -0.061 -4.019 477 HA ARG 58 HA ARG 58 -13.335 -1.958 -6.355 478 1HB ARG 58 2HB ARG 58 -11.102 -1.240 -5.191 479 2HB ARG 58 3HB ARG 58 -11.668 -2.049 -3.807 480 1HG ARG 58 2HG ARG 58 -10.289 -3.602 -4.630 481 2HG ARG 58 3HG ARG 58 -11.741 -4.168 -5.462 482 1HD ARG 58 2HD ARG 58 -9.628 -2.316 -6.628 483 2HD ARG 58 3HD ARG 58 -9.626 -4.057 -6.838 484 HE ARG 58 HE ARG 58 -11.325 -2.099 -8.150 485 1HH1 ARG 58 2HH2 ARG 58 -10.948 -5.551 -7.430 486 2HH1 ARG 58 1HH2 ARG 58 -12.136 -6.079 -8.550 487 1HH2 ARG 58 2HH1 ARG 58 -12.827 -2.777 -9.724 488 2HH2 ARG 58 1HH1 ARG 58 -12.933 -4.438 -10.167 489 H GLY 59 HN GLY 59 -15.596 -1.296 -4.404 490 1HA GLY 59 1HA GLY 59 -17.296 -2.472 -3.453 491 2HA GLY 59 2HA GLY 59 -16.695 -3.867 -4.355 492 H TYR 60 HN TYR 60 -14.622 -2.383 -1.824 493 HA TYR 60 HA TYR 60 -14.977 -4.822 -0.166 494 1HB TYR 60 2HB TYR 60 -12.762 -2.755 -0.447 495 2HB TYR 60 3HB TYR 60 -12.896 -3.782 0.948 496 HD1 TYR 60 HD1 TYR 60 -12.390 -6.114 0.939 497 HD2 TYR 60 HD2 TYR 60 -11.985 -3.726 -2.628 498 HE1 TYR 60 HE1 TYR 60 -11.072 -7.896 -0.076 499 HE2 TYR 60 HE2 TYR 60 -10.579 -5.512 -3.637 500 HH TYR 60 HH TYR 60 -9.606 -7.676 -3.374 501 H SER 61 HN SER 61 -14.895 -4.376 2.155 502 HA SER 61 HA SER 61 -16.320 -1.906 3.000 503 1HB SER 61 2HB SER 61 -17.255 -4.361 3.125 504 2HB SER 61 3HB SER 61 -16.074 -4.570 4.435 505 HG SER 61 HG SER 61 -18.172 -2.682 4.223 506 H GLU 62 HN GLU 62 -15.695 -1.251 5.374 507 HA GLU 62 HA GLU 62 -12.941 -0.677 5.150 508 1HB GLU 62 2HB GLU 62 -14.889 -0.190 7.428 509 2HB GLU 62 3HB GLU 62 -13.223 0.328 7.447 510 1HG GLU 62 2HG GLU 62 -13.863 1.407 5.079 511 2HG GLU 62 3HG GLU 62 -15.490 1.350 5.760 512 H GLU 63 HN GLU 63 -14.649 -3.157 6.887 513 HA GLU 63 HA GLU 63 -12.321 -3.765 8.565 514 1HB GLU 63 2HB GLU 63 -14.962 -3.732 9.091 515 2HB GLU 63 3HB GLU 63 -14.796 -5.441 8.643 516 1HG GLU 63 2HG GLU 63 -13.065 -5.730 10.382 517 2HG GLU 63 3HG GLU 63 -13.086 -3.986 10.722 518 H ASP 64 HN ASP 64 -13.103 -4.504 5.437 519 HA ASP 64 HA ASP 64 -12.514 -7.377 5.440 520 1HB ASP 64 2HB ASP 64 -12.650 -5.361 3.168 521 2HB ASP 64 3HB ASP 64 -12.425 -7.098 2.982 522 H SER 65 HN SER 65 -10.664 -4.418 5.429 523 HA SER 65 HA SER 65 -8.367 -5.658 4.069 524 1HB SER 65 2HB SER 65 -8.011 -3.591 3.441 525 2HB SER 65 3HB SER 65 -9.265 -2.947 4.484 526 HG SER 65 HG SER 65 -7.852 -2.572 6.062 527 H LYS 66 HN LYS 66 -6.287 -5.774 5.206 528 HA LYS 66 HA LYS 66 -6.489 -5.912 8.194 529 1HB LYS 66 2HB LYS 66 -4.869 -7.677 8.132 530 2HB LYS 66 3HB LYS 66 -6.160 -8.059 6.976 531 1HG LYS 66 2HG LYS 66 -4.868 -8.206 5.272 532 2HG LYS 66 3HG LYS 66 -4.022 -6.696 5.585 533 1HD LYS 66 2HD LYS 66 -2.209 -7.745 6.283 534 2HD LYS 66 3HD LYS 66 -3.072 -8.783 7.412 535 1HE LYS 66 2HE LYS 66 -3.031 -9.347 4.399 536 2HE LYS 66 3HE LYS 66 -1.762 -9.898 5.465 537 1HZ LYS 66 1HZ LYS 66 -4.597 -10.594 6.016 538 2HZ LYS 66 2HZ LYS 66 -3.506 -11.556 5.194 539 3HZ LYS 66 3HZ LYS 66 -3.257 -11.174 6.738 540 H VAL 67 HN VAL 67 -5.996 -3.413 6.739 541 HA VAL 67 HA VAL 67 -3.626 -2.602 8.263 542 HB VAL 67 HB VAL 67 -2.381 -1.673 6.471 543 1HG1 VAL 67 1HG1 VAL 67 -2.015 -4.011 6.598 544 2HG1 VAL 67 2HG1 VAL 67 -3.261 -4.314 5.358 545 3HG1 VAL 67 3HG1 VAL 67 -1.790 -3.395 4.957 546 1HG2 VAL 67 1HG2 VAL 67 -4.739 -2.062 4.640 547 2HG2 VAL 67 2HG2 VAL 67 -3.987 -0.543 5.166 548 3HG2 VAL 67 3HG2 VAL 67 -3.089 -1.627 4.103 549 HA PRO 68 HA PRO 68 -6.148 0.919 8.773 550 1HB PRO 68 2HB PRO 68 -4.407 3.061 8.847 551 2HB PRO 68 3HB PRO 68 -4.608 1.849 10.152 552 1HG PRO 68 2HG PRO 68 -2.453 1.953 8.071 553 2HG PRO 68 3HG PRO 68 -2.317 1.536 9.813 554 1HD PRO 68 2HD PRO 68 -2.376 -0.265 7.831 555 2HD PRO 68 3HD PRO 68 -3.024 -0.615 9.442 556 H LEU 69 HN LEU 69 -7.521 1.375 7.360 557 HA LEU 69 HA LEU 69 -6.929 2.289 4.636 558 1HB LEU 69 2HB LEU 69 -9.549 2.127 6.234 559 2HB LEU 69 3HB LEU 69 -9.410 2.349 4.491 560 HG LEU 69 HG LEU 69 -8.623 -0.183 5.904 561 1HD1 LEU 69 1HD1 LEU 69 -11.056 0.615 4.232 562 2HD1 LEU 69 2HD1 LEU 69 -10.698 -1.018 4.850 563 3HD1 LEU 69 3HD1 LEU 69 -11.043 0.303 5.976 564 1HD2 LEU 69 1HD2 LEU 69 -8.715 0.679 2.985 565 2HD2 LEU 69 2HD2 LEU 69 -7.324 0.065 3.921 566 3HD2 LEU 69 3HD2 LEU 69 -8.656 -1.015 3.504 567 H ILE 70 HN ILE 70 -6.267 4.204 4.282 568 HA ILE 70 HA ILE 70 -7.191 6.458 6.005 569 HB ILE 70 HB ILE 70 -5.129 7.485 5.633 570 1HG1 ILE 70 2HG1 ILE 70 -4.269 5.224 3.801 571 2HG1 ILE 70 3HG1 ILE 70 -4.756 6.840 3.276 572 1HG2 ILE 70 1HG2 ILE 70 -5.321 5.642 7.380 573 2HG2 ILE 70 2HG2 ILE 70 -4.406 4.617 6.283 574 3HG2 ILE 70 3HG2 ILE 70 -3.686 6.117 6.928 575 1HD1 ILE 70 1HD1 ILE 70 -2.879 7.854 4.446 576 2HD1 ILE 70 2HD1 ILE 70 -2.366 6.309 5.087 577 3HD1 ILE 70 3HD1 ILE 70 -2.302 6.590 3.342 578 H THR 71 HN THR 71 -7.036 8.669 4.611 579 HA THR 71 HA THR 71 -8.543 8.101 2.151 580 HB THR 71 HB THR 71 -8.754 10.536 2.048 581 HG1 THR 71 HG1 THR 71 -8.077 11.808 3.712 582 1HG2 THR 71 1HG2 THR 71 -10.396 9.128 3.330 583 2HG2 THR 71 2HG2 THR 71 -9.483 9.491 4.815 584 3HG2 THR 71 3HG2 THR 71 -10.287 10.794 3.913 585 H TYR 72 HN TYR 72 -7.862 9.539 0.179 586 HA TYR 72 HA TYR 72 -5.174 9.144 -0.706 587 1HB TYR 72 2HB TYR 72 -7.325 11.089 -1.521 588 2HB TYR 72 3HB TYR 72 -5.699 11.146 -2.177 589 HD1 TYR 72 HD1 TYR 72 -4.840 9.545 -3.718 590 HD2 TYR 72 HD2 TYR 72 -8.801 9.122 -2.092 591 HE1 TYR 72 HE1 TYR 72 -5.500 8.286 -5.700 592 HE2 TYR 72 HE2 TYR 72 -9.528 7.926 -4.140 593 HH TYR 72 HH TYR 72 -7.318 6.962 -6.670 594 H SER 73 HN SER 73 -6.659 12.035 0.964 595 HA SER 73 HA SER 73 -4.258 13.544 0.675 596 1HB SER 73 2HB SER 73 -6.375 13.975 2.797 597 2HB SER 73 3HB SER 73 -5.184 15.131 2.151 598 HG SER 73 HG SER 73 -7.243 13.904 0.582 599 H GLU 74 HN GLU 74 -5.283 11.307 3.317 600 HA GLU 74 HA GLU 74 -3.140 11.893 5.112 601 1HB GLU 74 2HB GLU 74 -4.847 9.437 4.692 602 2HB GLU 74 3HB GLU 74 -3.561 9.562 5.906 603 1HG GLU 74 2HG GLU 74 -4.895 11.783 6.555 604 2HG GLU 74 3HG GLU 74 -6.243 10.907 5.854 605 H PHE 75 HN PHE 75 -3.535 9.632 2.319 606 HA PHE 75 HA PHE 75 -0.983 8.430 2.499 607 1HB PHE 75 2HB PHE 75 -2.427 7.382 1.077 608 2HB PHE 75 3HB PHE 75 -2.994 8.844 0.341 609 HD1 PHE 75 HD1 PHE 75 -2.725 8.699 -1.970 610 HD2 PHE 75 HD2 PHE 75 0.509 7.427 0.584 611 HE1 PHE 75 HE1 PHE 75 -1.425 8.001 -3.953 612 HE2 PHE 75 HE2 PHE 75 1.754 6.646 -1.398 613 HZ PHE 75 HZ PHE 75 0.802 6.920 -3.664 614 H ILE 76 HN ILE 76 -1.935 11.428 0.739 615 HA ILE 76 HA ILE 76 0.612 11.907 -0.347 616 HB ILE 76 HB ILE 76 -1.405 14.004 0.586 617 1HG1 ILE 76 2HG1 ILE 76 -2.509 12.674 -1.038 618 2HG1 ILE 76 3HG1 ILE 76 -2.028 14.144 -1.816 619 1HG2 ILE 76 1HG2 ILE 76 0.995 14.243 -1.294 620 2HG2 ILE 76 2HG2 ILE 76 -0.242 15.495 -1.065 621 3HG2 ILE 76 3HG2 ILE 76 0.810 15.029 0.265 622 1HD1 ILE 76 1HD1 ILE 76 -0.714 11.407 -2.128 623 2HD1 ILE 76 2HD1 ILE 76 -1.672 12.287 -3.319 624 3HD1 ILE 76 3HD1 ILE 76 -0.076 12.899 -2.859 625 H ASP 77 HN ASP 77 -0.528 12.657 2.990 626 HA ASP 77 HA ASP 77 1.739 14.230 3.755 627 1HB ASP 77 2HB ASP 77 -0.142 14.288 5.120 628 2HB ASP 77 3HB ASP 77 -0.232 12.561 5.354 629 H LEU 78 HN LEU 78 1.273 10.790 3.365 630 HA LEU 78 HA LEU 78 3.597 10.147 4.955 631 1HB LEU 78 2HB LEU 78 2.153 8.256 3.083 632 2HB LEU 78 3HB LEU 78 3.099 7.842 4.516 633 HG LEU 78 HG LEU 78 0.332 8.992 4.349 634 1HD1 LEU 78 1HD1 LEU 78 -0.176 7.000 5.731 635 2HD1 LEU 78 2HD1 LEU 78 0.524 6.620 4.150 636 3HD1 LEU 78 3HD1 LEU 78 1.541 6.556 5.599 637 1HD2 LEU 78 1HD2 LEU 78 0.229 9.041 6.816 638 2HD2 LEU 78 2HD2 LEU 78 1.977 8.733 6.904 639 3HD2 LEU 78 3HD2 LEU 78 1.366 10.253 6.216 640 H LEU 79 HN LEU 79 3.231 11.291 1.822 641 HA LEU 79 HA LEU 79 5.728 10.162 0.636 642 1HB LEU 79 2HB LEU 79 3.743 12.020 -0.587 643 2HB LEU 79 3HB LEU 79 5.020 11.165 -1.395 644 HG LEU 79 HG LEU 79 2.615 9.740 -0.171 645 1HD1 LEU 79 1HD1 LEU 79 3.245 10.550 -3.033 646 2HD1 LEU 79 2HD1 LEU 79 1.861 9.550 -2.507 647 3HD1 LEU 79 3HD1 LEU 79 1.995 11.238 -1.989 648 1HD2 LEU 79 1HD2 LEU 79 4.481 8.250 -0.239 649 2HD2 LEU 79 2HD2 LEU 79 3.543 7.887 -1.699 650 3HD2 LEU 79 3HD2 LEU 79 5.015 8.865 -1.809 651 H GLU 80 HN GLU 80 4.494 12.890 2.326 652 HA GLU 80 HA GLU 80 5.911 14.938 0.974 653 1HB GLU 80 2HB GLU 80 5.067 14.818 3.886 654 2HB GLU 80 3HB GLU 80 5.616 16.287 3.048 655 1HG GLU 80 2HG GLU 80 3.389 14.575 1.953 656 2HG GLU 80 3HG GLU 80 3.060 15.783 3.196 657 H GLY 81 HN GLY 81 8.019 14.941 0.605 658 1HA GLY 81 1HA GLY 81 10.265 15.020 1.099 659 2HA GLY 81 2HA GLY 81 9.927 14.594 2.784 660 H GLU 82 HN GLU 82 8.461 12.367 0.368 661 HA GLU 82 HA GLU 82 10.933 10.762 0.271 662 1HB GLU 82 2HB GLU 82 8.324 9.953 1.609 663 2HB GLU 82 3HB GLU 82 9.259 8.769 0.722 664 1HG GLU 82 2HG GLU 82 10.415 10.323 3.033 665 2HG GLU 82 3HG GLU 82 9.578 8.787 3.187 666 H GLU 83 HN GLU 83 11.118 10.366 -1.942 667 HA GLU 83 HA GLU 83 8.669 9.339 -3.215 668 1HB GLU 83 2HB GLU 83 10.529 11.452 -4.208 669 2HB GLU 83 3HB GLU 83 9.939 10.311 -5.420 670 1HG GLU 83 2HG GLU 83 7.607 10.751 -4.592 671 2HG GLU 83 3HG GLU 83 8.266 12.114 -3.677 672 H LYS 84 HN LYS 84 9.067 7.288 -2.762 673 HA LYS 84 HA LYS 84 10.270 5.907 -4.997 674 1HB LYS 84 2HB LYS 84 11.965 4.591 -3.603 675 2HB LYS 84 3HB LYS 84 12.377 6.260 -3.859 676 1HG LYS 84 2HG LYS 84 10.891 6.287 -1.421 677 2HG LYS 84 3HG LYS 84 11.843 4.813 -1.356 678 1HD LYS 84 2HD LYS 84 13.069 6.574 -0.313 679 2HD LYS 84 3HD LYS 84 13.889 6.284 -1.867 680 1HE LYS 84 2HE LYS 84 12.836 8.219 -2.870 681 2HE LYS 84 3HE LYS 84 11.634 8.313 -1.595 682 1HZ LYS 84 1HZ LYS 84 13.301 8.998 -0.051 683 2HZ LYS 84 2HZ LYS 84 14.531 8.846 -1.169 684 3HZ LYS 84 3HZ LYS 84 13.368 9.999 -1.326 685 H PHE 85 HN PHE 85 7.649 6.040 -3.460 686 HA PHE 85 HA PHE 85 7.027 3.246 -3.727 687 1HB PHE 85 2HB PHE 85 6.288 2.925 -1.352 688 2HB PHE 85 3HB PHE 85 7.995 2.974 -1.565 689 HD1 PHE 85 HD1 PHE 85 5.082 4.824 -0.194 690 HD2 PHE 85 HD2 PHE 85 9.333 4.942 -0.749 691 HE1 PHE 85 HE1 PHE 85 5.263 6.705 1.437 692 HE2 PHE 85 HE2 PHE 85 9.543 6.609 1.041 693 HZ PHE 85 HZ PHE 85 7.472 7.584 2.075 694 H ILE 86 HN ILE 86 6.134 5.396 -5.040 695 HA ILE 86 HA ILE 86 3.665 6.351 -3.871 696 HB ILE 86 HB ILE 86 4.253 6.868 -6.722 697 1HG1 ILE 86 2HG1 ILE 86 6.530 7.092 -6.018 698 2HG1 ILE 86 3HG1 ILE 86 5.818 8.667 -6.203 699 1HG2 ILE 86 1HG2 ILE 86 2.382 7.960 -5.526 700 2HG2 ILE 86 2HG2 ILE 86 3.510 8.520 -4.282 701 3HG2 ILE 86 3HG2 ILE 86 3.603 9.186 -5.920 702 1HD1 ILE 86 1HD1 ILE 86 7.399 8.192 -4.191 703 2HD1 ILE 86 2HD1 ILE 86 5.974 9.226 -3.917 704 3HD1 ILE 86 3HD1 ILE 86 5.968 7.557 -3.396 705 H GLY 87 HN GLY 87 1.621 6.274 -5.741 706 1HA GLY 87 1HA GLY 87 2.275 4.823 -7.866 707 2HA GLY 87 2HA GLY 87 1.339 3.643 -6.958 Start of MODEL 4 1 1H MET 1 HN MET 1 15.175 3.409 4.897 2 HA MET 1 HA MET 1 14.476 2.786 7.699 3 1HB MET 1 2HB MET 1 14.115 5.175 7.110 4 2HB MET 1 3HB MET 1 13.015 4.680 5.814 5 1HG MET 1 2HG MET 1 11.695 5.273 7.732 6 2HG MET 1 3HG MET 1 11.607 3.520 7.567 7 1HE MET 1 1HE MET 1 10.666 4.989 10.125 8 2HE MET 1 2HE MET 1 10.706 3.207 10.041 9 3HE MET 1 3HE MET 1 11.413 4.053 11.431 10 H ALA 2 HN ALA 2 13.778 0.676 7.618 11 HA ALA 2 HA ALA 2 12.207 -0.274 5.274 12 1HB ALA 2 1HB ALA 2 13.931 -1.788 6.235 13 2HB ALA 2 2HB ALA 2 13.115 -1.699 7.813 14 3HB ALA 2 3HB ALA 2 12.294 -2.439 6.419 15 H LEU 3 HN LEU 3 9.931 -0.995 5.615 16 HA LEU 3 HA LEU 3 8.519 0.083 7.949 17 1HB LEU 3 2HB LEU 3 8.201 0.877 5.004 18 2HB LEU 3 3HB LEU 3 6.943 1.223 6.192 19 HG LEU 3 HG LEU 3 9.771 2.185 6.761 20 1HD1 LEU 3 1HD1 LEU 3 9.252 2.947 4.503 21 2HD1 LEU 3 2HD1 LEU 3 7.826 3.800 5.147 22 3HD1 LEU 3 3HD1 LEU 3 9.463 4.228 5.697 23 1HD2 LEU 3 1HD2 LEU 3 7.031 3.269 7.486 24 2HD2 LEU 3 2HD2 LEU 3 8.067 2.288 8.536 25 3HD2 LEU 3 3HD2 LEU 3 8.601 3.911 8.021 26 H VAL 4 HN VAL 4 7.310 -1.646 8.577 27 HA VAL 4 HA VAL 4 6.374 -3.411 6.375 28 HB VAL 4 HB VAL 4 6.976 -5.277 7.636 29 1HG1 VAL 4 1HG1 VAL 4 8.714 -4.446 6.137 30 2HG1 VAL 4 2HG1 VAL 4 9.480 -3.618 7.504 31 3HG1 VAL 4 3HG1 VAL 4 9.349 -5.389 7.493 32 1HG2 VAL 4 1HG2 VAL 4 7.840 -5.416 9.733 33 2HG2 VAL 4 2HG2 VAL 4 8.444 -3.740 9.751 34 3HG2 VAL 4 3HG2 VAL 4 6.702 -4.072 9.929 35 H LEU 5 HN LEU 5 4.992 -1.403 7.536 36 HA LEU 5 HA LEU 5 2.763 -2.747 8.726 37 1HB LEU 5 2HB LEU 5 2.532 -1.139 10.578 38 2HB LEU 5 3HB LEU 5 3.887 -2.242 10.656 39 HG LEU 5 HG LEU 5 5.200 -0.109 9.566 40 1HD1 LEU 5 1HD1 LEU 5 4.409 1.946 10.730 41 2HD1 LEU 5 2HD1 LEU 5 3.293 1.386 9.482 42 3HD1 LEU 5 3HD1 LEU 5 2.922 1.103 11.193 43 1HD2 LEU 5 1HD2 LEU 5 5.968 0.431 11.813 44 2HD2 LEU 5 2HD2 LEU 5 4.583 -0.423 12.516 45 3HD2 LEU 5 3HD2 LEU 5 5.818 -1.321 11.614 46 H VAL 6 HN VAL 6 0.839 -1.514 8.118 47 HA VAL 6 HA VAL 6 1.171 1.101 7.127 48 HB VAL 6 HB VAL 6 1.955 0.215 5.119 49 1HG1 VAL 6 1HG1 VAL 6 1.588 -2.083 5.261 50 2HG1 VAL 6 2HG1 VAL 6 -0.176 -1.897 5.335 51 3HG1 VAL 6 3HG1 VAL 6 0.680 -1.566 3.841 52 1HG2 VAL 6 1HG2 VAL 6 0.177 1.935 4.816 53 2HG2 VAL 6 2HG2 VAL 6 0.431 0.860 3.431 54 3HG2 VAL 6 3HG2 VAL 6 -0.956 0.608 4.431 55 H LYS 7 HN LYS 7 -0.162 0.904 9.050 56 HA LYS 7 HA LYS 7 -3.005 0.336 8.372 57 1HB LYS 7 2HB LYS 7 -3.373 -0.788 10.536 58 2HB LYS 7 3HB LYS 7 -2.438 -1.706 9.362 59 1HG LYS 7 2HG LYS 7 -0.483 -1.606 10.595 60 2HG LYS 7 3HG LYS 7 -0.942 -0.107 11.424 61 1HD LYS 7 2HD LYS 7 -2.472 -1.203 12.871 62 2HD LYS 7 3HD LYS 7 -2.499 -2.664 11.857 63 1HE LYS 7 2HE LYS 7 -0.033 -2.957 12.398 64 2HE LYS 7 3HE LYS 7 -0.217 -1.689 13.621 65 1HZ LYS 7 1HZ LYS 7 -1.904 -3.108 14.689 66 2HZ LYS 7 2HZ LYS 7 -1.752 -4.224 13.487 67 3HZ LYS 7 3HZ LYS 7 -0.508 -3.966 14.490 68 H TYR 8 HN TYR 8 -1.369 2.888 8.743 69 HA TYR 8 HA TYR 8 -3.297 4.130 10.631 70 1HB TYR 8 2HB TYR 8 -0.424 3.742 11.134 71 2HB TYR 8 3HB TYR 8 -0.778 5.435 11.050 72 HD1 TYR 8 HD1 TYR 8 -3.368 5.811 12.320 73 HD2 TYR 8 HD2 TYR 8 -0.149 3.143 13.346 74 HE1 TYR 8 HE1 TYR 8 -4.176 5.746 14.653 75 HE2 TYR 8 HE2 TYR 8 -0.949 3.035 15.676 76 HH TYR 8 HH TYR 8 -3.982 4.600 16.722 77 H GLY 9 HN GLY 9 -3.042 3.980 7.739 78 1HA GLY 9 1HA GLY 9 -3.850 5.392 6.109 79 2HA GLY 9 2HA GLY 9 -3.822 6.740 7.253 80 H THR 10 HN THR 10 -1.304 7.028 7.774 81 HA THR 10 HA THR 10 0.075 7.425 5.150 82 HB THR 10 HB THR 10 0.956 9.508 6.309 83 HG1 THR 10 HG1 THR 10 -0.257 10.345 7.921 84 1HG2 THR 10 1HG2 THR 10 -1.994 9.240 5.481 85 2HG2 THR 10 2HG2 THR 10 -1.092 10.759 5.509 86 3HG2 THR 10 3HG2 THR 10 -0.632 9.476 4.382 87 H ASP 11 HN ASP 11 0.694 5.111 6.849 88 HA ASP 11 HA ASP 11 3.179 5.969 8.114 89 1HB ASP 11 2HB ASP 11 2.659 4.166 9.699 90 2HB ASP 11 3HB ASP 11 1.304 5.261 9.504 91 H HIS 12 HN HIS 12 3.498 5.193 5.306 92 HA HIS 12 HA HIS 12 5.719 3.547 5.398 93 1HB HIS 12 2HB HIS 12 5.001 1.494 4.581 94 2HB HIS 12 3HB HIS 12 3.629 1.859 5.593 95 HD1 HIS 12 HD1 HIS 12 2.350 3.967 3.231 96 HD2 HIS 12 HD2 HIS 12 3.594 -0.048 2.904 97 HE1 HIS 12 HE1 HIS 12 1.245 3.057 1.199 98 HA PRO 13 HA PRO 13 6.131 5.721 1.613 99 1HB PRO 13 2HB PRO 13 7.263 4.186 -0.255 100 2HB PRO 13 3HB PRO 13 8.116 4.539 1.258 101 1HG PRO 13 2HG PRO 13 6.653 2.000 0.545 102 2HG PRO 13 3HG PRO 13 8.243 2.187 1.339 103 1HD PRO 13 2HD PRO 13 5.817 1.806 2.622 104 2HD PRO 13 3HD PRO 13 7.236 2.556 3.402 105 H VAL 14 HN VAL 14 5.228 6.223 -0.623 106 HA VAL 14 HA VAL 14 4.152 4.799 -2.420 107 HB VAL 14 HB VAL 14 2.161 4.912 -0.221 108 1HG1 VAL 14 1HG1 VAL 14 0.848 6.321 -1.642 109 2HG1 VAL 14 2HG1 VAL 14 1.386 5.471 -3.117 110 3HG1 VAL 14 3HG1 VAL 14 0.285 4.687 -1.994 111 1HG2 VAL 14 1HG2 VAL 14 3.290 2.819 -1.418 112 2HG2 VAL 14 2HG2 VAL 14 1.561 2.795 -1.194 113 3HG2 VAL 14 3HG2 VAL 14 2.295 3.256 -2.764 114 H GLU 15 HN GLU 15 3.188 7.622 -0.411 115 HA GLU 15 HA GLU 15 3.761 9.341 -2.822 116 1HB GLU 15 2HB GLU 15 1.152 9.220 -1.262 117 2HB GLU 15 3HB GLU 15 1.603 10.607 -2.225 118 1HG GLU 15 2HG GLU 15 2.060 8.996 -4.141 119 2HG GLU 15 3HG GLU 15 1.313 7.751 -3.202 120 H LYS 16 HN LYS 16 5.081 8.723 -0.233 121 HA LYS 16 HA LYS 16 6.144 11.342 0.098 122 1HB LYS 16 2HB LYS 16 3.849 11.178 1.529 123 2HB LYS 16 3HB LYS 16 4.943 10.466 2.714 124 1HG LYS 16 2HG LYS 16 4.953 12.657 3.206 125 2HG LYS 16 3HG LYS 16 6.478 12.488 2.351 126 1HD LYS 16 2HD LYS 16 5.537 13.491 0.336 127 2HD LYS 16 3HD LYS 16 3.901 13.473 1.000 128 1HE LYS 16 2HE LYS 16 6.210 14.961 2.293 129 2HE LYS 16 3HE LYS 16 5.183 15.696 1.040 130 1HZ LYS 16 1HZ LYS 16 4.130 14.633 3.602 131 2HZ LYS 16 2HZ LYS 16 4.440 16.213 3.301 132 3HZ LYS 16 3HZ LYS 16 3.278 15.441 2.452 133 H LEU 17 HN LEU 17 5.710 8.608 2.417 134 HA LEU 17 HA LEU 17 8.367 8.576 3.158 135 1HB LEU 17 2HB LEU 17 6.124 6.861 3.563 136 2HB LEU 17 3HB LEU 17 7.509 5.831 3.408 137 HG LEU 17 HG LEU 17 7.210 6.222 5.683 138 1HD1 LEU 17 1HD1 LEU 17 9.581 6.276 4.692 139 2HD1 LEU 17 2HD1 LEU 17 9.555 8.020 4.990 140 3HD1 LEU 17 3HD1 LEU 17 9.370 6.899 6.342 141 1HD2 LEU 17 1HD2 LEU 17 7.255 8.412 6.752 142 2HD2 LEU 17 2HD2 LEU 17 7.356 9.223 5.175 143 3HD2 LEU 17 3HD2 LEU 17 5.908 8.297 5.613 144 H LYS 18 HN LYS 18 7.018 7.280 0.255 145 HA LYS 18 HA LYS 18 9.146 5.531 -0.536 146 1HB LYS 18 2HB LYS 18 8.184 5.279 -2.518 147 2HB LYS 18 3HB LYS 18 6.801 6.014 -1.771 148 1HG LYS 18 2HG LYS 18 8.827 7.561 -3.428 149 2HG LYS 18 3HG LYS 18 7.443 6.757 -4.127 150 1HD LYS 18 2HD LYS 18 5.902 8.204 -3.234 151 2HD LYS 18 3HD LYS 18 6.924 8.682 -1.882 152 1HE LYS 18 2HE LYS 18 6.498 10.439 -3.557 153 2HE LYS 18 3HE LYS 18 8.221 10.118 -3.253 154 1HZ LYS 18 1HZ LYS 18 8.316 8.926 -5.346 155 2HZ LYS 18 2HZ LYS 18 6.691 9.230 -5.600 156 3HZ LYS 18 3HZ LYS 18 7.766 10.450 -5.558 157 H ILE 19 HN ILE 19 8.727 9.054 -0.864 158 HA ILE 19 HA ILE 19 10.984 9.489 -2.483 159 HB ILE 19 HB ILE 19 8.795 10.878 -1.371 160 1HG1 ILE 19 2HG1 ILE 19 10.854 12.485 -2.839 161 2HG1 ILE 19 3HG1 ILE 19 9.976 11.176 -3.644 162 1HG2 ILE 19 1HG2 ILE 19 9.491 12.921 -0.358 163 2HG2 ILE 19 2HG2 ILE 19 9.966 11.567 0.635 164 3HG2 ILE 19 3HG2 ILE 19 11.189 12.411 -0.358 165 1HD1 ILE 19 1HD1 ILE 19 8.751 13.623 -2.292 166 2HD1 ILE 19 2HD1 ILE 19 8.678 13.160 -3.989 167 3HD1 ILE 19 3HD1 ILE 19 7.804 12.212 -2.768 168 H ARG 20 HN ARG 20 10.492 9.015 0.938 169 HA ARG 20 HA ARG 20 13.106 9.994 1.755 170 1HB ARG 20 2HB ARG 20 10.730 8.813 3.192 171 2HB ARG 20 3HB ARG 20 12.228 9.202 4.021 172 1HG ARG 20 2HG ARG 20 11.823 11.399 4.087 173 2HG ARG 20 3HG ARG 20 11.278 11.503 2.425 174 1HD ARG 20 2HD ARG 20 9.034 10.932 2.960 175 2HD ARG 20 3HD ARG 20 9.510 10.241 4.521 176 HE ARG 20 HE ARG 20 8.588 12.835 4.009 177 1HH1 ARG 20 2HH2 ARG 20 11.227 11.430 5.936 178 2HH1 ARG 20 1HH2 ARG 20 10.810 12.339 7.351 179 1HH2 ARG 20 2HH1 ARG 20 7.976 13.906 5.994 180 2HH2 ARG 20 1HH1 ARG 20 9.079 13.902 7.306 181 H SER 21 HN SER 21 12.207 7.127 0.231 182 HA SER 21 HA SER 21 14.523 5.823 0.209 183 1HB SER 21 2HB SER 21 12.959 4.958 2.663 184 2HB SER 21 3HB SER 21 14.023 3.830 1.797 185 HG SER 21 HG SER 21 14.854 6.337 2.770 186 H ALA 22 HN ALA 22 13.436 5.523 -1.926 187 HA ALA 22 HA ALA 22 12.504 2.833 -2.190 188 1HB ALA 22 1HB ALA 22 10.310 3.340 -3.276 189 2HB ALA 22 2HB ALA 22 10.273 3.816 -1.583 190 3HB ALA 22 3HB ALA 22 10.507 5.065 -2.841 191 H LYS 23 HN LYS 23 12.072 2.338 -4.537 192 HA LYS 23 HA LYS 23 12.926 4.454 -6.420 193 1HB LYS 23 2HB LYS 23 14.686 2.381 -5.794 194 2HB LYS 23 3HB LYS 23 13.861 1.768 -7.192 195 1HG LYS 23 2HG LYS 23 15.610 3.005 -8.191 196 2HG LYS 23 3HG LYS 23 14.320 4.194 -8.193 197 1HD LYS 23 2HD LYS 23 16.040 5.452 -7.301 198 2HD LYS 23 3HD LYS 23 15.325 4.847 -5.816 199 1HE LYS 23 2HE LYS 23 17.620 4.478 -5.527 200 2HE LYS 23 3HE LYS 23 17.016 2.883 -6.028 201 1HZ LYS 23 1HZ LYS 23 18.182 4.855 -7.909 202 2HZ LYS 23 2HZ LYS 23 19.082 3.753 -7.123 203 3HZ LYS 23 3HZ LYS 23 17.925 3.232 -8.182 204 H ALA 24 HN ALA 24 12.622 3.049 -8.819 205 HA ALA 24 HA ALA 24 9.699 2.874 -8.943 206 1HB ALA 24 1HB ALA 24 9.974 2.645 -11.313 207 2HB ALA 24 2HB ALA 24 11.076 3.941 -10.796 208 3HB ALA 24 3HB ALA 24 11.685 2.314 -11.186 209 H GLU 25 HN GLU 25 12.644 0.733 -9.091 210 HA GLU 25 HA GLU 25 10.960 -1.587 -9.579 211 1HB GLU 25 2HB GLU 25 13.309 -2.745 -8.872 212 2HB GLU 25 3HB GLU 25 12.743 -2.314 -10.463 213 1HG GLU 25 2HG GLU 25 14.955 -1.623 -10.345 214 2HG GLU 25 3HG GLU 25 13.898 -0.221 -10.401 215 H ASP 26 HN ASP 26 10.037 -0.214 -7.389 216 HA ASP 26 HA ASP 26 10.939 -1.941 -5.186 217 1HB ASP 26 2HB ASP 26 11.147 0.699 -5.311 218 2HB ASP 26 3HB ASP 26 9.557 0.609 -4.522 219 H LYS 27 HN LYS 27 9.164 -2.128 -3.349 220 HA LYS 27 HA LYS 27 6.725 -3.150 -4.746 221 1HB LYS 27 2HB LYS 27 8.435 -4.629 -2.742 222 2HB LYS 27 3HB LYS 27 6.989 -5.240 -3.515 223 1HG LYS 27 2HG LYS 27 8.008 -5.770 -5.462 224 2HG LYS 27 3HG LYS 27 9.172 -4.463 -5.424 225 1HD LYS 27 2HD LYS 27 9.407 -6.815 -3.517 226 2HD LYS 27 3HD LYS 27 10.034 -6.855 -5.158 227 1HE LYS 27 2HE LYS 27 11.882 -6.246 -3.846 228 2HE LYS 27 3HE LYS 27 11.376 -4.805 -4.724 229 1HZ LYS 27 1HZ LYS 27 10.186 -4.180 -2.580 230 2HZ LYS 27 2HZ LYS 27 11.037 -5.392 -1.845 231 3HZ LYS 27 3HZ LYS 27 11.826 -4.163 -2.507 232 H ILE 28 HN ILE 28 4.817 -2.531 -3.612 233 HA ILE 28 HA ILE 28 4.994 -2.309 -0.711 234 HB ILE 28 HB ILE 28 3.798 0.005 -2.167 235 1HG1 ILE 28 2HG1 ILE 28 6.758 0.165 -1.419 236 2HG1 ILE 28 3HG1 ILE 28 6.201 -0.078 -3.083 237 1HG2 ILE 28 1HG2 ILE 28 4.330 1.108 -0.018 238 2HG2 ILE 28 2HG2 ILE 28 3.638 -0.450 0.339 239 3HG2 ILE 28 3HG2 ILE 28 5.387 -0.238 0.454 240 1HD1 ILE 28 1HD1 ILE 28 6.634 2.243 -2.784 241 2HD1 ILE 28 2HD1 ILE 28 4.883 1.976 -2.978 242 3HD1 ILE 28 3HD1 ILE 28 5.558 2.320 -1.379 243 H VAL 29 HN VAL 29 2.758 -2.005 0.185 244 HA VAL 29 HA VAL 29 0.451 -2.528 -1.446 245 HB VAL 29 HB VAL 29 1.523 -4.587 0.530 246 1HG1 VAL 29 1HG1 VAL 29 -0.625 -5.812 0.351 247 2HG1 VAL 29 2HG1 VAL 29 -0.827 -4.299 1.184 248 3HG1 VAL 29 3HG1 VAL 29 -1.349 -4.467 -0.514 249 1HG2 VAL 29 1HG2 VAL 29 0.825 -6.126 -1.422 250 2HG2 VAL 29 2HG2 VAL 29 0.732 -4.642 -2.371 251 3HG2 VAL 29 3HG2 VAL 29 2.265 -5.125 -1.622 252 H LEU 30 HN LEU 30 -1.522 -2.047 -0.068 253 HA LEU 30 HA LEU 30 -0.934 -0.620 2.503 254 1HB LEU 30 2HB LEU 30 -3.432 0.173 1.183 255 2HB LEU 30 3HB LEU 30 -2.212 1.208 1.885 256 HG LEU 30 HG LEU 30 -2.011 0.043 -0.931 257 1HD1 LEU 30 1HD1 LEU 30 -4.021 1.445 -0.747 258 2HD1 LEU 30 2HD1 LEU 30 -3.116 2.709 0.089 259 3HD1 LEU 30 3HD1 LEU 30 -2.758 2.343 -1.606 260 1HD2 LEU 30 1HD2 LEU 30 -0.608 2.255 0.620 261 2HD2 LEU 30 2HD2 LEU 30 0.143 0.813 -0.089 262 3HD2 LEU 30 3HD2 LEU 30 -0.510 2.095 -1.134 263 H ILE 31 HN ILE 31 -2.304 -0.868 4.242 264 HA ILE 31 HA ILE 31 -4.682 -2.532 3.874 265 HB ILE 31 HB ILE 31 -4.197 -4.068 5.435 266 1HG1 ILE 31 2HG1 ILE 31 -1.817 -2.556 6.516 267 2HG1 ILE 31 3HG1 ILE 31 -3.359 -2.377 7.202 268 1HG2 ILE 31 1HG2 ILE 31 -2.699 -4.371 3.431 269 2HG2 ILE 31 2HG2 ILE 31 -1.369 -3.713 4.386 270 3HG2 ILE 31 3HG2 ILE 31 -2.168 -5.214 4.875 271 1HD1 ILE 31 1HD1 ILE 31 -3.483 -4.791 7.648 272 2HD1 ILE 31 2HD1 ILE 31 -1.818 -4.945 7.055 273 3HD1 ILE 31 3HD1 ILE 31 -2.126 -3.923 8.481 274 H GLN 32 HN GLN 32 -5.675 -2.670 6.263 275 HA GLN 32 HA GLN 32 -7.261 -1.573 7.332 276 1HB GLN 32 2HB GLN 32 -4.837 -0.561 8.740 277 2HB GLN 32 3HB GLN 32 -6.455 -0.557 9.420 278 1HG GLN 32 2HG GLN 32 -5.278 -3.112 8.406 279 2HG GLN 32 3HG GLN 32 -4.760 -2.500 9.950 280 1HE2 GLN 32 1HE2 GLN 32 -7.616 -3.868 8.206 281 2HE2 GLN 32 2HE2 GLN 32 -8.455 -4.239 9.683 282 H ASN 33 HN ASN 33 -5.583 1.158 8.362 283 HA ASN 33 HA ASN 33 -7.298 2.928 6.734 284 1HB ASN 33 2HB ASN 33 -5.443 3.528 9.076 285 2HB ASN 33 3HB ASN 33 -6.166 4.766 8.077 286 1HD2 ASN 33 1HD2 ASN 33 -7.244 1.850 10.053 287 2HD2 ASN 33 2HD2 ASN 33 -8.884 2.466 10.158 288 H GLY 34 HN GLY 34 -4.029 1.724 6.616 289 1HA GLY 34 1HA GLY 34 -2.467 3.593 5.207 290 2HA GLY 34 2HA GLY 34 -2.476 1.856 5.101 291 H VAL 35 HN VAL 35 -5.374 1.795 4.142 292 HA VAL 35 HA VAL 35 -5.026 2.032 1.360 293 HB VAL 35 HB VAL 35 -7.398 1.850 1.243 294 1HG1 VAL 35 1HG1 VAL 35 -7.762 -0.222 2.405 295 2HG1 VAL 35 2HG1 VAL 35 -6.087 -0.175 1.835 296 3HG1 VAL 35 3HG1 VAL 35 -6.468 0.119 3.551 297 1HG2 VAL 35 1HG2 VAL 35 -8.245 3.380 2.928 298 2HG2 VAL 35 2HG2 VAL 35 -8.773 1.763 3.433 299 3HG2 VAL 35 3HG2 VAL 35 -7.403 2.523 4.227 300 H PHE 36 HN PHE 36 -5.495 4.626 3.693 301 HA PHE 36 HA PHE 36 -6.583 6.623 2.012 302 1HB PHE 36 2HB PHE 36 -4.970 6.633 4.599 303 2HB PHE 36 3HB PHE 36 -5.115 8.096 3.678 304 HD1 PHE 36 HD1 PHE 36 -7.101 5.811 5.832 305 HD2 PHE 36 HD2 PHE 36 -7.183 9.273 3.269 306 HE1 PHE 36 HE1 PHE 36 -9.289 6.429 6.749 307 HE2 PHE 36 HE2 PHE 36 -9.368 9.892 4.197 308 HZ PHE 36 HZ PHE 36 -10.419 8.513 5.998 309 H TRP 37 HN TRP 37 -3.418 5.209 2.092 310 HA TRP 37 HA TRP 37 -1.972 7.259 0.722 311 1HB TRP 37 2HB TRP 37 -1.679 4.240 0.834 312 2HB TRP 37 3HB TRP 37 -0.629 5.245 -0.123 313 HD1 TRP 37 HD1 TRP 37 -0.854 3.863 3.244 314 HE1 TRP 37 HE1 TRP 37 0.909 4.907 4.765 315 HE3 TRP 37 HE3 TRP 37 0.494 7.772 0.285 316 HZ2 TRP 37 HZ2 TRP 37 2.881 7.128 4.576 317 HZ3 TRP 37 HZ3 TRP 37 2.225 9.399 0.998 318 HH2 TRP 37 HH2 TRP 37 3.494 9.007 3.153 319 H ALA 38 HN ALA 38 -4.532 5.134 -0.442 320 HA ALA 38 HA ALA 38 -3.733 5.469 -3.294 321 1HB ALA 38 1HB ALA 38 -6.167 4.078 -2.178 322 2HB ALA 38 2HB ALA 38 -5.386 3.907 -3.775 323 3HB ALA 38 3HB ALA 38 -4.602 3.258 -2.341 324 H LEU 39 HN LEU 39 -4.278 7.845 -1.844 325 HA LEU 39 HA LEU 39 -6.014 9.222 -3.615 326 1HB LEU 39 2HB LEU 39 -7.872 9.669 -1.972 327 2HB LEU 39 3HB LEU 39 -7.795 8.153 -2.824 328 HG LEU 39 HG LEU 39 -6.609 7.293 -0.545 329 1HD1 LEU 39 1HD1 LEU 39 -8.460 9.515 0.383 330 2HD1 LEU 39 2HD1 LEU 39 -7.775 8.210 1.380 331 3HD1 LEU 39 3HD1 LEU 39 -6.698 9.400 0.653 332 1HD2 LEU 39 1HD2 LEU 39 -8.526 6.334 -1.679 333 2HD2 LEU 39 2HD2 LEU 39 -8.720 6.380 0.081 334 3HD2 LEU 39 3HD2 LEU 39 -9.559 7.575 -0.963 335 H GLU 40 HN GLU 40 -3.438 9.497 -2.638 336 HA GLU 40 HA GLU 40 -3.379 11.886 -0.936 337 1HB GLU 40 2HB GLU 40 -1.500 9.700 -1.853 338 2HB GLU 40 3HB GLU 40 -0.784 11.235 -1.355 339 1HG GLU 40 2HG GLU 40 -2.778 9.645 0.259 340 2HG GLU 40 3HG GLU 40 -1.036 9.398 0.366 341 H GLU 41 HN GLU 41 -1.053 12.994 -2.038 342 HA GLU 41 HA GLU 41 -1.767 13.816 -4.768 343 1HB GLU 41 2HB GLU 41 -1.282 15.711 -2.444 344 2HB GLU 41 3HB GLU 41 -1.212 16.185 -4.156 345 1HG GLU 41 2HG GLU 41 -3.593 15.675 -4.406 346 2HG GLU 41 3HG GLU 41 -3.674 15.208 -2.700 347 H LEU 42 HN LEU 42 -0.072 12.044 -4.725 348 HA LEU 42 HA LEU 42 2.296 13.318 -5.740 349 1HB LEU 42 2HB LEU 42 2.188 12.607 -3.013 350 2HB LEU 42 3HB LEU 42 3.154 11.335 -3.766 351 HG LEU 42 HG LEU 42 3.996 13.944 -4.819 352 1HD1 LEU 42 1HD1 LEU 42 4.238 13.830 -1.794 353 2HD1 LEU 42 2HD1 LEU 42 4.734 15.123 -2.947 354 3HD1 LEU 42 3HD1 LEU 42 3.045 14.803 -2.644 355 1HD2 LEU 42 1HD2 LEU 42 6.148 13.332 -4.060 356 2HD2 LEU 42 2HD2 LEU 42 5.493 12.139 -2.914 357 3HD2 LEU 42 3HD2 LEU 42 5.351 11.878 -4.687 358 H GLU 43 HN GLU 43 3.652 10.562 -5.506 359 HA GLU 43 HA GLU 43 1.899 8.561 -6.330 360 1HB GLU 43 2HB GLU 43 2.795 8.184 -8.647 361 2HB GLU 43 3HB GLU 43 1.611 9.474 -8.463 362 1HG GLU 43 2HG GLU 43 3.507 11.150 -8.357 363 2HG GLU 43 3HG GLU 43 4.599 9.786 -8.636 364 H THR 44 HN THR 44 3.122 6.561 -6.654 365 HA THR 44 HA THR 44 6.052 6.691 -6.136 366 HB THR 44 HB THR 44 5.050 5.443 -4.338 367 HG1 THR 44 HG1 THR 44 6.509 3.746 -4.563 368 1HG2 THR 44 1HG2 THR 44 4.269 3.392 -4.606 369 2HG2 THR 44 2HG2 THR 44 3.283 4.455 -5.645 370 3HG2 THR 44 3HG2 THR 44 4.493 3.367 -6.379 371 HA PRO 45 HA PRO 45 6.154 4.725 -10.167 372 1HB PRO 45 2HB PRO 45 8.799 4.387 -10.399 373 2HB PRO 45 3HB PRO 45 8.075 5.975 -10.594 374 1HG PRO 45 2HG PRO 45 9.528 4.855 -8.206 375 2HG PRO 45 3HG PRO 45 9.636 6.490 -8.900 376 1HD PRO 45 2HD PRO 45 8.053 5.662 -6.769 377 2HD PRO 45 3HD PRO 45 7.720 7.145 -7.732 378 H ALA 46 HN ALA 46 6.692 3.458 -7.064 379 HA ALA 46 HA ALA 46 7.765 0.824 -7.718 380 1HB ALA 46 1HB ALA 46 7.190 0.379 -5.359 381 2HB ALA 46 2HB ALA 46 7.982 1.964 -5.486 382 3HB ALA 46 3HB ALA 46 6.210 1.826 -5.294 383 H LYS 47 HN LYS 47 6.156 -1.286 -7.042 384 HA LYS 47 HA LYS 47 3.608 -0.794 -8.399 385 1HB LYS 47 2HB LYS 47 3.261 -3.160 -7.769 386 2HB LYS 47 3HB LYS 47 4.564 -2.895 -8.915 387 1HG LYS 47 2HG LYS 47 6.240 -3.215 -7.201 388 2HG LYS 47 3HG LYS 47 5.017 -3.103 -5.946 389 1HD LYS 47 2HD LYS 47 5.752 -5.386 -6.113 390 2HD LYS 47 3HD LYS 47 4.088 -5.118 -6.598 391 1HE LYS 47 2HE LYS 47 4.901 -6.679 -8.203 392 2HE LYS 47 3HE LYS 47 4.921 -5.128 -9.034 393 1HZ LYS 47 1HZ LYS 47 6.943 -6.161 -9.491 394 2HZ LYS 47 2HZ LYS 47 7.360 -5.040 -8.403 395 3HZ LYS 47 3HZ LYS 47 7.234 -6.625 -7.944 396 H VAL 48 HN VAL 48 1.556 -0.694 -7.173 397 HA VAL 48 HA VAL 48 1.862 -1.040 -4.309 398 HB VAL 48 HB VAL 48 0.262 1.312 -5.280 399 1HG1 VAL 48 1HG1 VAL 48 1.958 0.962 -2.791 400 2HG1 VAL 48 2HG1 VAL 48 0.490 1.958 -3.055 401 3HG1 VAL 48 3HG1 VAL 48 0.404 0.196 -2.888 402 1HG2 VAL 48 1HG2 VAL 48 2.099 2.886 -4.873 403 2HG2 VAL 48 2HG2 VAL 48 3.248 1.537 -4.717 404 3HG2 VAL 48 3HG2 VAL 48 2.478 1.894 -6.260 405 H TYR 49 HN TYR 49 0.100 -1.986 -3.509 406 HA TYR 49 HA TYR 49 -2.311 -2.231 -5.210 407 1HB TYR 49 2HB TYR 49 -0.689 -4.458 -3.947 408 2HB TYR 49 3HB TYR 49 -2.267 -4.602 -4.689 409 HD1 TYR 49 HD1 TYR 49 -2.603 -4.332 -7.099 410 HD2 TYR 49 HD2 TYR 49 1.419 -4.393 -5.508 411 HE1 TYR 49 HE1 TYR 49 -1.720 -4.715 -9.367 412 HE2 TYR 49 HE2 TYR 49 2.239 -4.991 -7.750 413 HH TYR 49 HH TYR 49 1.668 -5.420 -10.027 414 H ALA 50 HN ALA 50 -4.185 -2.133 -3.903 415 HA ALA 50 HA ALA 50 -3.700 -1.673 -0.967 416 1HB ALA 50 1HB ALA 50 -6.146 -1.119 -2.681 417 2HB ALA 50 2HB ALA 50 -5.895 -0.618 -1.003 418 3HB ALA 50 3HB ALA 50 -4.900 0.083 -2.298 419 H ILE 51 HN ILE 51 -4.849 -2.992 0.572 420 HA ILE 51 HA ILE 51 -6.076 -5.491 -0.395 421 HB ILE 51 HB ILE 51 -5.730 -4.284 2.405 422 1HG1 ILE 51 2HG1 ILE 51 -3.630 -5.012 1.559 423 2HG1 ILE 51 3HG1 ILE 51 -4.217 -6.178 2.744 424 1HG2 ILE 51 1HG2 ILE 51 -6.641 -6.204 3.360 425 2HG2 ILE 51 2HG2 ILE 51 -7.809 -5.799 2.117 426 3HG2 ILE 51 3HG2 ILE 51 -6.699 -7.119 1.832 427 1HD1 ILE 51 1HD1 ILE 51 -4.949 -7.602 0.702 428 2HD1 ILE 51 2HD1 ILE 51 -3.993 -6.468 -0.273 429 3HD1 ILE 51 3HD1 ILE 51 -3.226 -7.408 1.020 430 H LYS 52 HN LYS 52 -7.771 -5.389 -1.429 431 HA LYS 52 HA LYS 52 -9.706 -3.428 -1.353 432 1HB LYS 52 2HB LYS 52 -9.348 -5.209 -3.132 433 2HB LYS 52 3HB LYS 52 -10.201 -6.354 -2.085 434 1HG LYS 52 2HG LYS 52 -12.174 -4.813 -2.096 435 2HG LYS 52 3HG LYS 52 -11.270 -3.675 -3.069 436 1HD LYS 52 2HD LYS 52 -12.632 -4.711 -4.602 437 2HD LYS 52 3HD LYS 52 -11.111 -5.571 -4.850 438 1HE LYS 52 2HE LYS 52 -11.925 -7.496 -3.607 439 2HE LYS 52 3HE LYS 52 -13.287 -6.571 -2.957 440 1HZ LYS 52 1HZ LYS 52 -14.101 -7.939 -4.695 441 2HZ LYS 52 2HZ LYS 52 -14.160 -6.407 -5.235 442 3HZ LYS 52 3HZ LYS 52 -12.975 -7.384 -5.773 443 H ASP 53 HN ASP 53 -9.805 -6.568 0.367 444 HA ASP 53 HA ASP 53 -12.191 -6.273 1.757 445 1HB ASP 53 2HB ASP 53 -9.566 -7.616 2.335 446 2HB ASP 53 3HB ASP 53 -10.526 -7.251 3.759 447 H ASP 54 HN ASP 54 -8.984 -4.977 2.908 448 HA ASP 54 HA ASP 54 -10.149 -3.721 5.080 449 1HB ASP 54 2HB ASP 54 -7.508 -3.917 3.809 450 2HB ASP 54 3HB ASP 54 -7.787 -2.271 4.361 451 H PHE 55 HN PHE 55 -9.630 -2.494 1.784 452 HA PHE 55 HA PHE 55 -10.208 0.245 2.365 453 1HB PHE 55 2HB PHE 55 -9.131 -0.841 0.276 454 2HB PHE 55 3HB PHE 55 -10.753 -1.263 -0.224 455 HD1 PHE 55 HD1 PHE 55 -11.174 0.039 -2.140 456 HD2 PHE 55 HD2 PHE 55 -9.496 1.961 1.301 457 HE1 PHE 55 HE1 PHE 55 -11.344 2.240 -3.244 458 HE2 PHE 55 HE2 PHE 55 -9.380 4.094 0.088 459 HZ PHE 55 HZ PHE 55 -10.330 4.257 -2.207 460 H LEU 56 HN LEU 56 -12.180 -2.481 1.343 461 HA LEU 56 HA LEU 56 -14.746 -1.193 1.205 462 1HB LEU 56 2HB LEU 56 -13.828 -4.051 1.742 463 2HB LEU 56 3HB LEU 56 -15.487 -3.633 1.487 464 HG LEU 56 HG LEU 56 -13.288 -3.115 -0.580 465 1HD1 LEU 56 1HD1 LEU 56 -15.378 -5.347 -0.308 466 2HD1 LEU 56 2HD1 LEU 56 -14.431 -5.049 -1.773 467 3HD1 LEU 56 3HD1 LEU 56 -13.621 -5.520 -0.264 468 1HD2 LEU 56 1HD2 LEU 56 -15.274 -2.848 -2.127 469 2HD2 LEU 56 2HD2 LEU 56 -16.337 -2.886 -0.715 470 3HD2 LEU 56 3HD2 LEU 56 -15.173 -1.574 -0.892 471 H ALA 57 HN ALA 57 -12.930 -2.847 3.801 472 HA ALA 57 HA ALA 57 -14.965 -2.380 5.767 473 1HB ALA 57 1HB ALA 57 -12.027 -3.067 6.169 474 2HB ALA 57 2HB ALA 57 -13.319 -3.210 7.371 475 3HB ALA 57 3HB ALA 57 -13.336 -4.245 5.933 476 H ARG 58 HN ARG 58 -13.153 -0.156 4.145 477 HA ARG 58 HA ARG 58 -13.172 1.777 6.438 478 1HB ARG 58 2HB ARG 58 -10.967 0.890 4.814 479 2HB ARG 58 3HB ARG 58 -11.315 2.455 4.237 480 1HG ARG 58 2HG ARG 58 -10.950 1.965 7.215 481 2HG ARG 58 3HG ARG 58 -9.575 2.005 6.124 482 1HD ARG 58 2HD ARG 58 -9.771 4.165 7.011 483 2HD ARG 58 3HD ARG 58 -10.238 4.240 5.322 484 HE ARG 58 HE ARG 58 -12.268 3.937 7.502 485 1HH1 ARG 58 2HH2 ARG 58 -10.963 6.156 5.055 486 2HH1 ARG 58 1HH2 ARG 58 -12.428 7.037 4.863 487 1HH2 ARG 58 2HH1 ARG 58 -14.274 4.936 7.052 488 2HH2 ARG 58 1HH1 ARG 58 -14.423 6.176 5.891 489 H GLY 59 HN GLY 59 -15.358 1.041 4.575 490 1HA GLY 59 1HA GLY 59 -17.043 2.181 3.582 491 2HA GLY 59 2HA GLY 59 -16.353 3.637 4.316 492 H TYR 60 HN TYR 60 -14.579 1.776 1.761 493 HA TYR 60 HA TYR 60 -15.238 3.908 -0.207 494 1HB TYR 60 2HB TYR 60 -12.880 2.019 0.106 495 2HB TYR 60 3HB TYR 60 -13.178 3.030 -1.285 496 HD1 TYR 60 HD1 TYR 60 -12.778 5.428 -1.266 497 HD2 TYR 60 HD2 TYR 60 -12.079 3.023 2.208 498 HE1 TYR 60 HE1 TYR 60 -11.610 7.316 -0.235 499 HE2 TYR 60 HE2 TYR 60 -10.795 4.901 3.257 500 HH TYR 60 HH TYR 60 -10.026 7.829 1.456 501 H SER 61 HN SER 61 -15.022 2.847 -2.576 502 HA SER 61 HA SER 61 -16.193 0.152 -2.610 503 1HB SER 61 2HB SER 61 -17.965 1.873 -2.909 504 2HB SER 61 3HB SER 61 -17.073 2.541 -4.276 505 HG SER 61 HG SER 61 -18.841 0.599 -4.262 506 H GLU 62 HN GLU 62 -16.030 -0.329 -5.346 507 HA GLU 62 HA GLU 62 -13.165 -0.592 -5.460 508 1HB GLU 62 2HB GLU 62 -15.107 -1.604 -7.527 509 2HB GLU 62 3HB GLU 62 -13.412 -2.006 -7.358 510 1HG GLU 62 2HG GLU 62 -14.000 -2.821 -4.975 511 2HG GLU 62 3HG GLU 62 -15.676 -2.763 -5.517 512 H GLU 63 HN GLU 63 -15.083 1.901 -6.580 513 HA GLU 63 HA GLU 63 -13.237 2.417 -8.868 514 1HB GLU 63 2HB GLU 63 -15.866 2.503 -8.982 515 2HB GLU 63 3HB GLU 63 -15.635 4.119 -8.280 516 1HG GLU 63 2HG GLU 63 -13.991 4.585 -10.186 517 2HG GLU 63 3HG GLU 63 -14.431 3.016 -10.858 518 H ASP 64 HN ASP 64 -13.703 3.478 -5.579 519 HA ASP 64 HA ASP 64 -13.133 6.215 -5.875 520 1HB ASP 64 2HB ASP 64 -12.668 4.382 -3.494 521 2HB ASP 64 3HB ASP 64 -12.727 6.143 -3.452 522 H SER 65 HN SER 65 -10.958 3.425 -5.661 523 HA SER 65 HA SER 65 -8.814 4.851 -4.450 524 1HB SER 65 2HB SER 65 -9.356 2.480 -4.089 525 2HB SER 65 3HB SER 65 -8.830 1.979 -5.668 526 HG SER 65 HG SER 65 -7.423 2.170 -3.536 527 H LYS 66 HN LYS 66 -6.747 5.365 -5.365 528 HA LYS 66 HA LYS 66 -6.639 5.433 -8.376 529 1HB LYS 66 2HB LYS 66 -4.950 7.132 -8.146 530 2HB LYS 66 3HB LYS 66 -6.390 7.584 -7.224 531 1HG LYS 66 2HG LYS 66 -5.367 7.691 -5.314 532 2HG LYS 66 3HG LYS 66 -4.474 6.189 -5.517 533 1HD LYS 66 2HD LYS 66 -2.584 7.267 -5.915 534 2HD LYS 66 3HD LYS 66 -3.271 8.237 -7.188 535 1HE LYS 66 2HE LYS 66 -3.458 8.888 -4.178 536 2HE LYS 66 3HE LYS 66 -2.342 9.603 -5.309 537 1HZ LYS 66 1HZ LYS 66 -4.206 11.046 -5.103 538 2HZ LYS 66 2HZ LYS 66 -4.265 10.381 -6.627 539 3HZ LYS 66 3HZ LYS 66 -5.290 9.866 -5.481 540 H VAL 67 HN VAL 67 -6.280 2.904 -7.014 541 HA VAL 67 HA VAL 67 -3.744 2.135 -8.197 542 HB VAL 67 HB VAL 67 -2.752 1.207 -6.217 543 1HG1 VAL 67 1HG1 VAL 67 -3.575 3.942 -5.351 544 2HG1 VAL 67 2HG1 VAL 67 -2.202 2.986 -4.771 545 3HG1 VAL 67 3HG1 VAL 67 -2.257 3.490 -6.464 546 1HG2 VAL 67 1HG2 VAL 67 -4.143 0.184 -4.871 547 2HG2 VAL 67 2HG2 VAL 67 -4.035 1.681 -3.914 548 3HG2 VAL 67 3HG2 VAL 67 -5.409 1.409 -4.977 549 HA PRO 68 HA PRO 68 -6.180 -1.593 -8.595 550 1HB PRO 68 2HB PRO 68 -4.303 -3.568 -8.562 551 2HB PRO 68 3HB PRO 68 -4.543 -2.415 -9.915 552 1HG PRO 68 2HG PRO 68 -2.494 -2.226 -7.699 553 2HG PRO 68 3HG PRO 68 -2.227 -2.018 -9.464 554 1HD PRO 68 2HD PRO 68 -2.524 -0.005 -7.726 555 2HD PRO 68 3HD PRO 68 -3.136 0.128 -9.367 556 H LEU 69 HN LEU 69 -7.494 -2.194 -7.208 557 HA LEU 69 HA LEU 69 -6.831 -2.851 -4.421 558 1HB LEU 69 2HB LEU 69 -9.452 -3.242 -5.945 559 2HB LEU 69 3HB LEU 69 -9.195 -3.107 -4.204 560 HG LEU 69 HG LEU 69 -8.956 -0.751 -6.053 561 1HD1 LEU 69 1HD1 LEU 69 -11.200 -1.268 -6.123 562 2HD1 LEU 69 2HD1 LEU 69 -11.215 -2.121 -4.583 563 3HD1 LEU 69 3HD1 LEU 69 -11.161 -0.384 -4.567 564 1HD2 LEU 69 1HD2 LEU 69 -7.615 -0.392 -4.128 565 2HD2 LEU 69 2HD2 LEU 69 -9.158 0.370 -3.760 566 3HD2 LEU 69 3HD2 LEU 69 -8.781 -1.190 -3.029 567 H ILE 70 HN ILE 70 -6.138 -4.688 -3.946 568 HA ILE 70 HA ILE 70 -6.821 -7.096 -5.549 569 HB ILE 70 HB ILE 70 -4.659 -7.928 -5.252 570 1HG1 ILE 70 2HG1 ILE 70 -3.917 -5.550 -3.510 571 2HG1 ILE 70 3HG1 ILE 70 -4.288 -7.156 -2.889 572 1HG2 ILE 70 1HG2 ILE 70 -5.032 -6.221 -7.041 573 2HG2 ILE 70 2HG2 ILE 70 -4.280 -5.017 -5.987 574 3HG2 ILE 70 3HG2 ILE 70 -3.352 -6.432 -6.567 575 1HD1 ILE 70 1HD1 ILE 70 -1.974 -6.752 -4.802 576 2HD1 ILE 70 2HD1 ILE 70 -1.843 -6.641 -3.029 577 3HD1 ILE 70 3HD1 ILE 70 -2.361 -8.130 -3.803 578 H THR 71 HN THR 71 -6.259 -9.207 -4.201 579 HA THR 71 HA THR 71 -7.776 -8.923 -1.700 580 HB THR 71 HB THR 71 -7.767 -11.354 -1.720 581 HG1 THR 71 HG1 THR 71 -6.904 -11.973 -4.105 582 1HG2 THR 71 1HG2 THR 71 -8.535 -10.385 -4.505 583 2HG2 THR 71 2HG2 THR 71 -9.301 -11.659 -3.539 584 3HG2 THR 71 3HG2 THR 71 -9.466 -9.972 -3.051 585 H TYR 72 HN TYR 72 -6.976 -10.453 0.063 586 HA TYR 72 HA TYR 72 -4.330 -9.743 0.964 587 1HB TYR 72 2HB TYR 72 -6.267 -11.925 1.809 588 2HB TYR 72 3HB TYR 72 -4.734 -11.604 2.592 589 HD1 TYR 72 HD1 TYR 72 -4.339 -9.023 3.336 590 HD2 TYR 72 HD2 TYR 72 -8.178 -10.897 2.761 591 HE1 TYR 72 HE1 TYR 72 -5.285 -7.613 5.142 592 HE2 TYR 72 HE2 TYR 72 -9.164 -9.429 4.486 593 HH TYR 72 HH TYR 72 -8.787 -7.726 6.004 594 H SER 73 HN SER 73 -5.556 -12.597 -1.004 595 HA SER 73 HA SER 73 -3.096 -14.035 -0.612 596 1HB SER 73 2HB SER 73 -4.720 -14.452 -3.070 597 2HB SER 73 3HB SER 73 -3.970 -15.612 -1.947 598 HG SER 73 HG SER 73 -5.689 -15.265 -0.522 599 H GLU 74 HN GLU 74 -4.203 -11.654 -3.025 600 HA GLU 74 HA GLU 74 -2.040 -12.006 -4.896 601 1HB GLU 74 2HB GLU 74 -3.852 -9.686 -4.212 602 2HB GLU 74 3HB GLU 74 -2.737 -9.691 -5.590 603 1HG GLU 74 2HG GLU 74 -4.494 -12.053 -5.572 604 2HG GLU 74 3HG GLU 74 -5.415 -10.554 -5.480 605 H PHE 75 HN PHE 75 -2.558 -10.041 -1.932 606 HA PHE 75 HA PHE 75 -0.097 -8.635 -2.021 607 1HB PHE 75 2HB PHE 75 -1.654 -7.762 -0.601 608 2HB PHE 75 3HB PHE 75 -2.112 -9.299 0.080 609 HD1 PHE 75 HD1 PHE 75 -1.959 -9.058 2.377 610 HD2 PHE 75 HD2 PHE 75 1.337 -7.726 -0.062 611 HE1 PHE 75 HE1 PHE 75 -0.755 -8.256 4.405 612 HE2 PHE 75 HE2 PHE 75 2.507 -6.920 1.959 613 HZ PHE 75 HZ PHE 75 1.447 -7.187 4.201 614 H ILE 76 HN ILE 76 -0.917 -11.762 -0.407 615 HA ILE 76 HA ILE 76 1.667 -12.151 0.689 616 HB ILE 76 HB ILE 76 -0.309 -14.274 -0.290 617 1HG1 ILE 76 2HG1 ILE 76 -1.468 -13.102 1.375 618 2HG1 ILE 76 3HG1 ILE 76 -0.831 -14.493 2.183 619 1HG2 ILE 76 1HG2 ILE 76 1.883 -15.287 -0.013 620 2HG2 ILE 76 2HG2 ILE 76 2.100 -14.507 1.562 621 3HG2 ILE 76 3HG2 ILE 76 0.871 -15.771 1.346 622 1HD1 ILE 76 1HD1 ILE 76 1.016 -13.028 3.131 623 2HD1 ILE 76 2HD1 ILE 76 0.218 -11.626 2.378 624 3HD1 ILE 76 3HD1 ILE 76 -0.621 -12.551 3.625 625 H ASP 77 HN ASP 77 0.482 -12.966 -2.614 626 HA ASP 77 HA ASP 77 2.866 -14.297 -3.454 627 1HB ASP 77 2HB ASP 77 0.676 -14.332 -4.522 628 2HB ASP 77 3HB ASP 77 0.860 -12.681 -5.083 629 H LEU 78 HN LEU 78 2.229 -10.910 -2.939 630 HA LEU 78 HA LEU 78 4.318 -10.100 -4.759 631 1HB LEU 78 2HB LEU 78 2.847 -8.527 -2.620 632 2HB LEU 78 3HB LEU 78 4.089 -7.834 -3.650 633 HG LEU 78 HG LEU 78 1.584 -9.153 -4.783 634 1HD1 LEU 78 1HD1 LEU 78 2.101 -6.214 -4.219 635 2HD1 LEU 78 2HD1 LEU 78 0.693 -6.906 -5.085 636 3HD1 LEU 78 3HD1 LEU 78 0.940 -7.269 -3.385 637 1HD2 LEU 78 1HD2 LEU 78 2.166 -7.758 -6.787 638 2HD2 LEU 78 2HD2 LEU 78 3.720 -7.373 -6.000 639 3HD2 LEU 78 3HD2 LEU 78 3.317 -9.044 -6.428 640 H LEU 79 HN LEU 79 4.096 -11.250 -1.510 641 HA LEU 79 HA LEU 79 6.627 -10.124 -0.544 642 1HB LEU 79 2HB LEU 79 4.849 -12.196 0.768 643 2HB LEU 79 3HB LEU 79 6.214 -11.343 1.474 644 HG LEU 79 HG LEU 79 3.563 -10.132 0.582 645 1HD1 LEU 79 1HD1 LEU 79 3.204 -9.751 2.939 646 2HD1 LEU 79 2HD1 LEU 79 3.508 -11.469 2.640 647 3HD1 LEU 79 3HD1 LEU 79 4.806 -10.457 3.333 648 1HD2 LEU 79 1HD2 LEU 79 4.505 -8.043 1.744 649 2HD2 LEU 79 2HD2 LEU 79 6.106 -8.806 1.583 650 3HD2 LEU 79 3HD2 LEU 79 5.146 -8.425 0.147 651 H GLU 80 HN GLU 80 5.642 -13.491 -0.272 652 HA GLU 80 HA GLU 80 7.049 -15.317 -0.144 653 1HB GLU 80 2HB GLU 80 6.674 -14.789 -3.107 654 2HB GLU 80 3HB GLU 80 7.036 -16.357 -2.365 655 1HG GLU 80 2HG GLU 80 4.580 -14.661 -1.836 656 2HG GLU 80 3HG GLU 80 4.566 -16.074 -2.850 657 H GLY 81 HN GLY 81 8.805 -13.956 0.845 658 1HA GLY 81 1HA GLY 81 11.067 -14.831 1.004 659 2HA GLY 81 2HA GLY 81 11.277 -14.546 -0.721 660 H GLU 82 HN GLU 82 9.637 -11.840 0.715 661 HA GLU 82 HA GLU 82 12.144 -10.462 -0.167 662 1HB GLU 82 2HB GLU 82 10.328 -11.107 -1.864 663 2HB GLU 82 3HB GLU 82 9.294 -9.929 -1.043 664 1HG GLU 82 2HG GLU 82 10.183 -8.860 -2.902 665 2HG GLU 82 3HG GLU 82 11.095 -8.207 -1.535 666 H GLU 83 HN GLU 83 11.491 -10.725 2.436 667 HA GLU 83 HA GLU 83 9.213 -9.352 3.082 668 1HB GLU 83 2HB GLU 83 10.352 -11.539 3.888 669 2HB GLU 83 3HB GLU 83 11.135 -10.554 5.103 670 1HG GLU 83 2HG GLU 83 8.164 -10.225 4.805 671 2HG GLU 83 3HG GLU 83 8.697 -11.817 5.262 672 H LYS 84 HN LYS 84 10.135 -7.113 2.397 673 HA LYS 84 HA LYS 84 10.839 -5.575 4.897 674 1HB LYS 84 2HB LYS 84 12.396 -5.821 2.305 675 2HB LYS 84 3HB LYS 84 12.471 -4.307 3.151 676 1HG LYS 84 2HG LYS 84 13.938 -4.998 4.580 677 2HG LYS 84 3HG LYS 84 12.906 -6.298 5.135 678 1HD LYS 84 2HD LYS 84 14.682 -6.492 2.646 679 2HD LYS 84 3HD LYS 84 15.195 -6.966 4.277 680 1HE LYS 84 2HE LYS 84 13.368 -8.595 4.426 681 2HE LYS 84 3HE LYS 84 12.789 -8.145 2.825 682 1HZ LYS 84 1HZ LYS 84 15.553 -9.098 3.147 683 2HZ LYS 84 2HZ LYS 84 14.365 -10.187 3.134 684 3HZ LYS 84 3HZ LYS 84 14.580 -9.220 1.827 685 H PHE 85 HN PHE 85 8.335 -5.749 3.483 686 HA PHE 85 HA PHE 85 7.725 -2.932 3.477 687 1HB PHE 85 2HB PHE 85 6.970 -2.637 1.169 688 2HB PHE 85 3HB PHE 85 8.665 -2.952 1.234 689 HD1 PHE 85 HD1 PHE 85 9.600 -5.203 0.507 690 HD2 PHE 85 HD2 PHE 85 5.428 -4.201 0.075 691 HE1 PHE 85 HE1 PHE 85 9.252 -7.166 -0.964 692 HE2 PHE 85 HE2 PHE 85 5.096 -6.192 -1.365 693 HZ PHE 85 HZ PHE 85 7.026 -7.685 -1.867 694 H ILE 86 HN ILE 86 6.760 -4.942 4.992 695 HA ILE 86 HA ILE 86 4.326 -5.968 3.856 696 HB ILE 86 HB ILE 86 5.047 -6.417 6.712 697 1HG1 ILE 86 2HG1 ILE 86 7.293 -6.563 5.878 698 2HG1 ILE 86 3HG1 ILE 86 6.658 -8.159 6.125 699 1HG2 ILE 86 1HG2 ILE 86 4.509 -8.791 5.958 700 2HG2 ILE 86 2HG2 ILE 86 3.177 -7.667 5.735 701 3HG2 ILE 86 3HG2 ILE 86 4.179 -8.119 4.343 702 1HD1 ILE 86 1HD1 ILE 86 6.502 -8.715 3.839 703 2HD1 ILE 86 2HD1 ILE 86 6.676 -7.046 3.296 704 3HD1 ILE 86 3HD1 ILE 86 8.037 -7.872 4.035 705 H GLY 87 HN GLY 87 2.340 -6.112 5.793 706 1HA GLY 87 1HA GLY 87 2.603 -4.574 7.911 707 2HA GLY 87 2HA GLY 87 1.497 -3.616 6.925 Start of MODEL 5 1 1H MET 1 HN MET 1 15.854 -1.420 -5.745 2 HA MET 1 HA MET 1 14.382 -2.478 -8.073 3 1HB MET 1 2HB MET 1 15.273 -3.833 -5.763 4 2HB MET 1 3HB MET 1 13.572 -3.529 -5.435 5 1HG MET 1 2HG MET 1 13.866 -5.663 -6.526 6 2HG MET 1 3HG MET 1 12.986 -4.575 -7.606 7 1HE MET 1 1HE MET 1 13.780 -7.009 -8.820 8 2HE MET 1 2HE MET 1 15.330 -7.136 -9.684 9 3HE MET 1 3HE MET 1 15.260 -7.426 -7.934 10 H ALA 2 HN ALA 2 12.563 -1.244 -8.598 11 HA ALA 2 HA ALA 2 11.333 0.326 -6.425 12 1HB ALA 2 1HB ALA 2 12.100 1.377 -9.171 13 2HB ALA 2 2HB ALA 2 11.289 2.270 -7.894 14 3HB ALA 2 3HB ALA 2 12.966 1.766 -7.655 15 H LEU 3 HN LEU 3 9.263 0.682 -6.660 16 HA LEU 3 HA LEU 3 7.594 -0.220 -8.874 17 1HB LEU 3 2HB LEU 3 7.509 -1.258 -6.004 18 2HB LEU 3 3HB LEU 3 6.137 -1.363 -7.126 19 HG LEU 3 HG LEU 3 8.868 -2.586 -7.752 20 1HD1 LEU 3 1HD1 LEU 3 8.082 -4.728 -7.224 21 2HD1 LEU 3 2HD1 LEU 3 7.800 -3.696 -5.809 22 3HD1 LEU 3 3HD1 LEU 3 6.458 -4.157 -6.908 23 1HD2 LEU 3 1HD2 LEU 3 6.157 -2.946 -9.103 24 2HD2 LEU 3 2HD2 LEU 3 7.568 -2.138 -9.791 25 3HD2 LEU 3 3HD2 LEU 3 7.620 -3.872 -9.485 26 H VAL 4 HN VAL 4 6.616 1.593 -9.313 27 HA VAL 4 HA VAL 4 5.643 3.242 -7.039 28 HB VAL 4 HB VAL 4 6.278 5.149 -8.110 29 1HG1 VAL 4 1HG1 VAL 4 8.166 4.119 -7.068 30 2HG1 VAL 4 2HG1 VAL 4 8.632 3.339 -8.625 31 3HG1 VAL 4 3HG1 VAL 4 8.651 5.103 -8.451 32 1HG2 VAL 4 1HG2 VAL 4 5.788 5.296 -10.212 33 2HG2 VAL 4 2HG2 VAL 4 7.503 4.895 -10.495 34 3HG2 VAL 4 3HG2 VAL 4 6.207 3.637 -10.601 35 H LEU 5 HN LEU 5 4.193 1.118 -8.200 36 HA LEU 5 HA LEU 5 1.952 2.640 -9.111 37 1HB LEU 5 2HB LEU 5 1.572 1.406 -11.187 38 2HB LEU 5 3HB LEU 5 2.951 2.481 -11.164 39 HG LEU 5 HG LEU 5 4.037 -0.051 -10.436 40 1HD1 LEU 5 1HD1 LEU 5 2.126 -0.270 -12.819 41 2HD1 LEU 5 2HD1 LEU 5 3.314 -1.489 -12.316 42 3HD1 LEU 5 3HD1 LEU 5 1.976 -1.115 -11.253 43 1HD2 LEU 5 1HD2 LEU 5 4.088 1.456 -13.060 44 2HD2 LEU 5 2HD2 LEU 5 5.181 1.679 -11.684 45 3HD2 LEU 5 3HD2 LEU 5 5.196 0.155 -12.573 46 H VAL 6 HN VAL 6 0.296 1.697 -7.830 47 HA VAL 6 HA VAL 6 0.408 -1.250 -7.597 48 HB VAL 6 HB VAL 6 1.476 -0.257 -5.614 49 1HG1 VAL 6 1HG1 VAL 6 0.348 1.831 -5.384 50 2HG1 VAL 6 2HG1 VAL 6 -1.182 1.034 -5.031 51 3HG1 VAL 6 3HG1 VAL 6 0.192 0.853 -3.941 52 1HG2 VAL 6 1HG2 VAL 6 -0.165 -1.510 -3.983 53 2HG2 VAL 6 2HG2 VAL 6 -0.933 -2.031 -5.479 54 3HG2 VAL 6 3HG2 VAL 6 0.752 -2.384 -5.236 55 H LYS 7 HN LYS 7 -1.060 -0.303 -9.420 56 HA LYS 7 HA LYS 7 -3.849 -0.427 -8.310 57 1HB LYS 7 2HB LYS 7 -4.565 0.715 -10.419 58 2HB LYS 7 3HB LYS 7 -3.529 1.651 -9.358 59 1HG LYS 7 2HG LYS 7 -1.827 0.351 -11.303 60 2HG LYS 7 3HG LYS 7 -3.212 1.051 -12.147 61 1HD LYS 7 2HD LYS 7 -2.783 3.211 -10.886 62 2HD LYS 7 3HD LYS 7 -1.271 2.494 -10.281 63 1HE LYS 7 2HE LYS 7 -0.410 2.292 -12.560 64 2HE LYS 7 3HE LYS 7 -2.002 2.663 -13.223 65 1HZ LYS 7 1HZ LYS 7 -1.746 4.895 -12.118 66 2HZ LYS 7 2HZ LYS 7 -0.170 4.517 -11.867 67 3HZ LYS 7 3HZ LYS 7 -0.744 4.603 -13.400 68 H TYR 8 HN TYR 8 -2.071 -2.709 -8.762 69 HA TYR 8 HA TYR 8 -3.752 -4.291 -10.662 70 1HB TYR 8 2HB TYR 8 -0.697 -4.126 -10.544 71 2HB TYR 8 3HB TYR 8 -1.587 -5.236 -11.549 72 HD1 TYR 8 HD1 TYR 8 -3.405 -4.285 -13.153 73 HD2 TYR 8 HD2 TYR 8 -0.026 -2.059 -11.657 74 HE1 TYR 8 HE1 TYR 8 -3.731 -2.644 -14.924 75 HE2 TYR 8 HE2 TYR 8 -0.329 -0.378 -13.470 76 HH TYR 8 HH TYR 8 -3.245 -0.413 -15.522 77 H GLY 9 HN GLY 9 -3.725 -4.149 -7.723 78 1HA GLY 9 1HA GLY 9 -3.567 -5.507 -5.877 79 2HA GLY 9 2HA GLY 9 -3.414 -6.890 -6.958 80 H THR 10 HN THR 10 -1.461 -7.527 -7.559 81 HA THR 10 HA THR 10 0.136 -7.287 -5.128 82 HB THR 10 HB THR 10 1.090 -9.535 -6.070 83 HG1 THR 10 HG1 THR 10 0.259 -9.698 -8.015 84 1HG2 THR 10 1HG2 THR 10 -0.349 -9.431 -4.036 85 2HG2 THR 10 2HG2 THR 10 -1.788 -9.244 -5.049 86 3HG2 THR 10 3HG2 THR 10 -0.878 -10.750 -5.079 87 H ASP 11 HN ASP 11 0.872 -5.182 -6.937 88 HA ASP 11 HA ASP 11 3.565 -6.132 -7.799 89 1HB ASP 11 2HB ASP 11 1.848 -5.551 -9.572 90 2HB ASP 11 3HB ASP 11 1.999 -3.867 -9.088 91 H HIS 12 HN HIS 12 3.358 -5.064 -5.111 92 HA HIS 12 HA HIS 12 5.557 -3.246 -5.248 93 1HB HIS 12 2HB HIS 12 4.643 -1.182 -4.684 94 2HB HIS 12 3HB HIS 12 3.374 -1.772 -5.678 95 HD1 HIS 12 HD1 HIS 12 2.383 -3.802 -3.046 96 HD2 HIS 12 HD2 HIS 12 2.831 0.381 -3.318 97 HE1 HIS 12 HE1 HIS 12 0.874 -2.834 -1.329 98 HA PRO 13 HA PRO 13 6.245 -5.015 -1.284 99 1HB PRO 13 2HB PRO 13 7.360 -3.082 0.245 100 2HB PRO 13 3HB PRO 13 8.203 -3.720 -1.192 101 1HG PRO 13 2HG PRO 13 6.592 -1.184 -1.009 102 2HG PRO 13 3HG PRO 13 8.236 -1.410 -1.676 103 1HD PRO 13 2HD PRO 13 6.044 -1.414 -3.232 104 2HD PRO 13 3HD PRO 13 7.404 -2.524 -3.589 105 H VAL 14 HN VAL 14 5.518 -4.940 1.234 106 HA VAL 14 HA VAL 14 4.104 -3.393 2.579 107 HB VAL 14 HB VAL 14 2.326 -4.274 0.393 108 1HG1 VAL 14 1HG1 VAL 14 1.228 -4.288 3.216 109 2HG1 VAL 14 2HG1 VAL 14 0.244 -4.143 1.762 110 3HG1 VAL 14 3HG1 VAL 14 1.208 -5.610 2.042 111 1HG2 VAL 14 1HG2 VAL 14 1.518 -2.078 0.598 112 2HG2 VAL 14 2HG2 VAL 14 1.699 -2.035 2.345 113 3HG2 VAL 14 3HG2 VAL 14 3.087 -1.832 1.294 114 H GLU 15 HN GLU 15 4.184 -6.579 1.280 115 HA GLU 15 HA GLU 15 4.603 -7.786 3.990 116 1HB GLU 15 2HB GLU 15 2.742 -9.187 3.874 117 2HB GLU 15 3HB GLU 15 2.181 -7.586 3.669 118 1HG GLU 15 2HG GLU 15 1.186 -8.066 1.769 119 2HG GLU 15 3HG GLU 15 2.709 -8.572 1.030 120 H LYS 16 HN LYS 16 4.767 -8.077 0.552 121 HA LYS 16 HA LYS 16 6.620 -10.364 0.872 122 1HB LYS 16 2HB LYS 16 4.212 -10.539 0.119 123 2HB LYS 16 3HB LYS 16 4.724 -9.754 -1.383 124 1HG LYS 16 2HG LYS 16 5.057 -11.918 -2.082 125 2HG LYS 16 3HG LYS 16 6.618 -11.702 -1.315 126 1HD LYS 16 2HD LYS 16 5.782 -12.684 0.783 127 2HD LYS 16 3HD LYS 16 4.159 -12.879 0.104 128 1HE LYS 16 2HE LYS 16 6.607 -14.102 -1.213 129 2HE LYS 16 3HE LYS 16 5.805 -14.899 0.153 130 1HZ LYS 16 1HZ LYS 16 3.811 -15.092 -1.091 131 2HZ LYS 16 2HZ LYS 16 4.374 -14.211 -2.337 132 3HZ LYS 16 3HZ LYS 16 5.036 -15.695 -1.985 133 H LEU 17 HN LEU 17 5.846 -7.851 -1.744 134 HA LEU 17 HA LEU 17 8.458 -8.054 -2.795 135 1HB LEU 17 2HB LEU 17 6.157 -6.287 -3.122 136 2HB LEU 17 3HB LEU 17 7.603 -5.351 -3.312 137 HG LEU 17 HG LEU 17 6.805 -6.152 -5.434 138 1HD1 LEU 17 1HD1 LEU 17 8.938 -7.103 -6.270 139 2HD1 LEU 17 2HD1 LEU 17 9.195 -5.756 -5.160 140 3HD1 LEU 17 3HD1 LEU 17 9.482 -7.385 -4.594 141 1HD2 LEU 17 1HD2 LEU 17 5.695 -8.206 -4.690 142 2HD2 LEU 17 2HD2 LEU 17 6.749 -8.487 -6.058 143 3HD2 LEU 17 3HD2 LEU 17 7.265 -8.992 -4.438 144 H LYS 18 HN LYS 18 7.356 -6.347 0.001 145 HA LYS 18 HA LYS 18 9.651 -4.639 0.299 146 1HB LYS 18 2HB LYS 18 8.541 -3.848 2.055 147 2HB LYS 18 3HB LYS 18 7.238 -4.913 1.654 148 1HG LYS 18 2HG LYS 18 9.457 -5.722 3.564 149 2HG LYS 18 3HG LYS 18 8.004 -4.872 4.069 150 1HD LYS 18 2HD LYS 18 6.620 -6.616 3.751 151 2HD LYS 18 3HD LYS 18 7.482 -7.249 2.349 152 1HE LYS 18 2HE LYS 18 7.480 -8.730 4.328 153 2HE LYS 18 3HE LYS 18 9.084 -8.386 3.634 154 1HZ LYS 18 1HZ LYS 18 7.948 -7.147 6.032 155 2HZ LYS 18 2HZ LYS 18 9.015 -8.320 6.082 156 3HZ LYS 18 3HZ LYS 18 9.519 -6.900 5.454 157 H ILE 19 HN ILE 19 9.049 -8.115 1.007 158 HA ILE 19 HA ILE 19 11.258 -8.407 2.763 159 HB ILE 19 HB ILE 19 9.096 -9.924 1.793 160 1HG1 ILE 19 2HG1 ILE 19 11.033 -11.354 3.557 161 2HG1 ILE 19 3HG1 ILE 19 10.369 -9.829 4.138 162 1HG2 ILE 19 1HG2 ILE 19 9.885 -12.128 1.209 163 2HG2 ILE 19 2HG2 ILE 19 10.354 -10.952 -0.014 164 3HG2 ILE 19 3HG2 ILE 19 11.562 -11.552 1.150 165 1HD1 ILE 19 1HD1 ILE 19 8.045 -10.661 3.540 166 2HD1 ILE 19 2HD1 ILE 19 8.762 -12.242 3.215 167 3HD1 ILE 19 3HD1 ILE 19 8.858 -11.550 4.849 168 H ARG 20 HN ARG 20 10.899 -8.333 -0.728 169 HA ARG 20 HA ARG 20 13.484 -9.517 -1.301 170 1HB ARG 20 2HB ARG 20 11.435 -8.034 -3.025 171 2HB ARG 20 3HB ARG 20 12.921 -8.740 -3.623 172 1HG ARG 20 2HG ARG 20 11.887 -10.652 -3.937 173 2HG ARG 20 3HG ARG 20 11.739 -10.853 -2.182 174 1HD ARG 20 2HD ARG 20 9.521 -10.212 -2.154 175 2HD ARG 20 3HD ARG 20 9.642 -9.324 -3.677 176 HE ARG 20 HE ARG 20 9.309 -12.225 -3.341 177 1HH1 ARG 20 2HH2 ARG 20 9.560 -9.483 -5.625 178 2HH1 ARG 20 1HH2 ARG 20 8.780 -10.298 -6.902 179 1HH2 ARG 20 2HH1 ARG 20 8.345 -13.270 -4.970 180 2HH2 ARG 20 1HH1 ARG 20 8.279 -12.660 -6.607 181 H SER 21 HN SER 21 12.604 -6.443 -0.098 182 HA SER 21 HA SER 21 14.995 -5.370 0.288 183 1HB SER 21 2HB SER 21 14.232 -4.974 -2.563 184 2HB SER 21 3HB SER 21 14.789 -3.532 -1.701 185 HG SER 21 HG SER 21 16.485 -4.930 -2.730 186 H ALA 22 HN ALA 22 13.660 -4.775 2.063 187 HA ALA 22 HA ALA 22 12.973 -2.014 2.053 188 1HB ALA 22 1HB ALA 22 10.695 -3.979 2.636 189 2HB ALA 22 2HB ALA 22 10.598 -2.236 2.813 190 3HB ALA 22 3HB ALA 22 10.719 -2.922 1.185 191 H LYS 23 HN LYS 23 12.637 -1.276 4.194 192 HA LYS 23 HA LYS 23 13.246 -3.213 6.336 193 1HB LYS 23 2HB LYS 23 15.181 -1.509 5.102 194 2HB LYS 23 3HB LYS 23 14.676 -0.663 6.505 195 1HG LYS 23 2HG LYS 23 16.357 -1.876 7.474 196 2HG LYS 23 3HG LYS 23 15.114 -3.128 7.618 197 1HD LYS 23 2HD LYS 23 17.046 -2.794 5.276 198 2HD LYS 23 3HD LYS 23 17.323 -3.921 6.627 199 1HE LYS 23 2HE LYS 23 15.382 -5.214 5.999 200 2HE LYS 23 3HE LYS 23 14.882 -3.900 4.920 201 1HZ LYS 23 1HZ LYS 23 15.843 -5.761 3.701 202 2HZ LYS 23 2HZ LYS 23 16.692 -4.389 3.459 203 3HZ LYS 23 3HZ LYS 23 17.299 -5.544 4.458 204 H ALA 24 HN ALA 24 13.408 -1.357 8.384 205 HA ALA 24 HA ALA 24 10.586 -0.963 8.576 206 1HB ALA 24 1HB ALA 24 12.179 -1.485 10.505 207 2HB ALA 24 2HB ALA 24 12.646 0.242 10.462 208 3HB ALA 24 3HB ALA 24 10.965 -0.227 10.781 209 H GLU 25 HN GLU 25 13.004 1.114 7.218 210 HA GLU 25 HA GLU 25 11.508 3.585 7.951 211 1HB GLU 25 2HB GLU 25 14.349 2.786 7.545 212 2HB GLU 25 3HB GLU 25 13.968 4.148 6.559 213 1HG GLU 25 2HG GLU 25 13.364 4.121 9.544 214 2HG GLU 25 3HG GLU 25 14.983 4.469 8.945 215 H ASP 26 HN ASP 26 10.616 1.686 6.116 216 HA ASP 26 HA ASP 26 10.758 3.206 3.619 217 1HB ASP 26 2HB ASP 26 10.130 0.438 4.513 218 2HB ASP 26 3HB ASP 26 9.349 0.948 3.016 219 H LYS 27 HN LYS 27 8.605 3.694 2.473 220 HA LYS 27 HA LYS 27 6.281 3.766 4.304 221 1HB LYS 27 2HB LYS 27 7.205 5.986 2.422 222 2HB LYS 27 3HB LYS 27 5.565 5.806 2.998 223 1HG LYS 27 2HG LYS 27 6.093 7.153 4.656 224 2HG LYS 27 3HG LYS 27 6.882 5.772 5.405 225 1HD LYS 27 2HD LYS 27 8.280 7.811 3.598 226 2HD LYS 27 3HD LYS 27 8.215 7.902 5.366 227 1HE LYS 27 2HE LYS 27 9.273 5.649 5.514 228 2HE LYS 27 3HE LYS 27 9.449 5.638 3.748 229 1HZ LYS 27 1HZ LYS 27 11.429 6.347 5.006 230 2HZ LYS 27 2HZ LYS 27 10.962 7.423 3.866 231 3HZ LYS 27 3HZ LYS 27 10.652 7.735 5.444 232 H ILE 28 HN ILE 28 4.291 3.104 3.218 233 HA ILE 28 HA ILE 28 4.417 2.837 0.358 234 HB ILE 28 HB ILE 28 3.665 0.322 1.774 235 1HG1 ILE 28 2HG1 ILE 28 6.570 0.408 0.871 236 2HG1 ILE 28 3HG1 ILE 28 6.168 0.832 2.544 237 1HG2 ILE 28 1HG2 ILE 28 4.457 -0.579 -0.466 238 2HG2 ILE 28 2HG2 ILE 28 3.242 0.652 -0.633 239 3HG2 ILE 28 3HG2 ILE 28 4.948 1.050 -0.921 240 1HD1 ILE 28 1HD1 ILE 28 6.730 -1.494 2.363 241 2HD1 ILE 28 2HD1 ILE 28 5.043 -1.251 2.879 242 3HD1 ILE 28 3HD1 ILE 28 5.401 -1.708 1.203 243 H VAL 29 HN VAL 29 2.302 2.288 -0.480 244 HA VAL 29 HA VAL 29 -0.017 2.509 1.234 245 HB VAL 29 HB VAL 29 0.670 4.645 -0.827 246 1HG1 VAL 29 1HG1 VAL 29 -1.997 4.175 0.614 247 2HG1 VAL 29 2HG1 VAL 29 -1.579 5.604 -0.356 248 3HG1 VAL 29 3HG1 VAL 29 -1.707 4.060 -1.141 249 1HG2 VAL 29 1HG2 VAL 29 0.124 4.654 2.155 250 2HG2 VAL 29 2HG2 VAL 29 1.585 5.217 1.309 251 3HG2 VAL 29 3HG2 VAL 29 0.078 6.132 1.184 252 H LEU 30 HN LEU 30 -1.835 1.624 0.157 253 HA LEU 30 HA LEU 30 -1.359 0.323 -2.513 254 1HB LEU 30 2HB LEU 30 -3.840 -0.438 -1.115 255 2HB LEU 30 3HB LEU 30 -2.615 -1.456 -1.797 256 HG LEU 30 HG LEU 30 -2.598 -0.315 1.009 257 1HD1 LEU 30 1HD1 LEU 30 -3.272 -3.079 -0.074 258 2HD1 LEU 30 2HD1 LEU 30 -3.059 -2.684 1.652 259 3HD1 LEU 30 3HD1 LEU 30 -4.368 -1.952 0.715 260 1HD2 LEU 30 1HD2 LEU 30 -0.302 -0.791 0.194 261 2HD2 LEU 30 2HD2 LEU 30 -0.813 -1.896 1.479 262 3HD2 LEU 30 3HD2 LEU 30 -0.827 -2.432 -0.217 263 H ILE 31 HN ILE 31 -2.847 0.648 -4.220 264 HA ILE 31 HA ILE 31 -5.196 2.338 -3.651 265 HB ILE 31 HB ILE 31 -4.753 3.900 -5.137 266 1HG1 ILE 31 2HG1 ILE 31 -2.851 2.040 -6.572 267 2HG1 ILE 31 3HG1 ILE 31 -4.417 2.426 -7.076 268 1HG2 ILE 31 1HG2 ILE 31 -2.627 4.929 -4.814 269 2HG2 ILE 31 2HG2 ILE 31 -2.992 4.059 -3.342 270 3HG2 ILE 31 3HG2 ILE 31 -1.837 3.377 -4.502 271 1HD1 ILE 31 1HD1 ILE 31 -2.384 4.593 -6.961 272 2HD1 ILE 31 2HD1 ILE 31 -2.906 3.722 -8.413 273 3HD1 ILE 31 3HD1 ILE 31 -4.074 4.691 -7.484 274 H GLN 32 HN GLN 32 -6.469 2.424 -5.798 275 HA GLN 32 HA GLN 32 -8.068 1.190 -6.823 276 1HB GLN 32 2HB GLN 32 -5.674 0.499 -8.461 277 2HB GLN 32 3HB GLN 32 -7.326 0.546 -9.014 278 1HG GLN 32 2HG GLN 32 -6.654 3.142 -7.826 279 2HG GLN 32 3HG GLN 32 -5.421 2.694 -8.954 280 1HE2 GLN 32 1HE2 GLN 32 -8.873 3.260 -8.530 281 2HE2 GLN 32 2HE2 GLN 32 -9.302 3.129 -10.256 282 H ASN 33 HN ASN 33 -6.235 -1.304 -8.240 283 HA ASN 33 HA ASN 33 -7.647 -3.357 -6.701 284 1HB ASN 33 2HB ASN 33 -5.522 -3.900 -8.831 285 2HB ASN 33 3HB ASN 33 -6.781 -4.927 -8.221 286 1HD2 ASN 33 1HD2 ASN 33 -6.149 -2.521 -10.706 287 2HD2 ASN 33 2HD2 ASN 33 -7.817 -2.291 -11.159 288 H GLY 34 HN GLY 34 -4.570 -1.810 -6.454 289 1HA GLY 34 1HA GLY 34 -2.780 -3.600 -5.265 290 2HA GLY 34 2HA GLY 34 -2.974 -1.894 -4.960 291 H VAL 35 HN VAL 35 -5.745 -2.034 -4.078 292 HA VAL 35 HA VAL 35 -5.420 -2.243 -1.330 293 HB VAL 35 HB VAL 35 -7.831 -2.320 -1.223 294 1HG1 VAL 35 1HG1 VAL 35 -8.307 -0.261 -2.475 295 2HG1 VAL 35 2HG1 VAL 35 -6.764 -0.198 -1.618 296 3HG1 VAL 35 3HG1 VAL 35 -6.803 -0.452 -3.371 297 1HG2 VAL 35 1HG2 VAL 35 -7.772 -3.091 -4.138 298 2HG2 VAL 35 2HG2 VAL 35 -8.579 -3.891 -2.788 299 3HG2 VAL 35 3HG2 VAL 35 -9.181 -2.332 -3.378 300 H PHE 36 HN PHE 36 -5.753 -4.982 -3.579 301 HA PHE 36 HA PHE 36 -6.619 -7.056 -1.936 302 1HB PHE 36 2HB PHE 36 -4.619 -6.824 -4.190 303 2HB PHE 36 3HB PHE 36 -4.736 -8.318 -3.302 304 HD1 PHE 36 HD1 PHE 36 -5.649 -9.919 -4.613 305 HD2 PHE 36 HD2 PHE 36 -7.533 -6.036 -4.505 306 HE1 PHE 36 HE1 PHE 36 -7.398 -10.723 -6.143 307 HE2 PHE 36 HE2 PHE 36 -9.249 -6.821 -6.076 308 HZ PHE 36 HZ PHE 36 -9.122 -9.157 -7.002 309 H TRP 37 HN TRP 37 -3.522 -5.348 -1.721 310 HA TRP 37 HA TRP 37 -2.177 -7.480 -0.344 311 1HB TRP 37 2HB TRP 37 -1.592 -4.515 -0.223 312 2HB TRP 37 3HB TRP 37 -0.606 -5.764 0.509 313 HD1 TRP 37 HD1 TRP 37 -1.089 -4.000 -2.752 314 HE1 TRP 37 HE1 TRP 37 0.555 -4.819 -4.439 315 HE3 TRP 37 HE3 TRP 37 0.536 -8.179 -0.326 316 HZ2 TRP 37 HZ2 TRP 37 2.845 -6.750 -4.467 317 HZ3 TRP 37 HZ3 TRP 37 2.480 -9.439 -1.165 318 HH2 TRP 37 HH2 TRP 37 3.656 -8.725 -3.258 319 H ALA 38 HN ALA 38 -4.687 -5.360 0.785 320 HA ALA 38 HA ALA 38 -3.955 -5.579 3.659 321 1HB ALA 38 1HB ALA 38 -5.903 -4.131 3.982 322 2HB ALA 38 2HB ALA 38 -4.992 -3.449 2.638 323 3HB ALA 38 3HB ALA 38 -6.452 -4.445 2.340 324 H LEU 39 HN LEU 39 -4.325 -8.080 2.310 325 HA LEU 39 HA LEU 39 -6.064 -9.439 4.108 326 1HB LEU 39 2HB LEU 39 -7.863 -10.040 2.434 327 2HB LEU 39 3HB LEU 39 -7.863 -8.466 3.162 328 HG LEU 39 HG LEU 39 -6.673 -7.658 0.937 329 1HD1 LEU 39 1HD1 LEU 39 -6.382 -9.873 -0.105 330 2HD1 LEU 39 2HD1 LEU 39 -8.148 -10.130 -0.061 331 3HD1 LEU 39 3HD1 LEU 39 -7.429 -8.835 -1.052 332 1HD2 LEU 39 1HD2 LEU 39 -8.770 -6.873 1.802 333 2HD2 LEU 39 2HD2 LEU 39 -8.849 -7.127 0.057 334 3HD2 LEU 39 3HD2 LEU 39 -9.586 -8.322 1.175 335 H GLU 40 HN GLU 40 -3.437 -9.811 3.294 336 HA GLU 40 HA GLU 40 -3.599 -12.557 2.225 337 1HB GLU 40 2HB GLU 40 -1.102 -10.981 1.693 338 2HB GLU 40 3HB GLU 40 -1.690 -12.423 0.931 339 1HG GLU 40 2HG GLU 40 -3.634 -10.726 0.094 340 2HG GLU 40 3HG GLU 40 -2.425 -9.519 0.544 341 H GLU 41 HN GLU 41 -0.819 -13.021 2.979 342 HA GLU 41 HA GLU 41 -0.745 -12.396 5.889 343 1HB GLU 41 2HB GLU 41 -0.961 -15.129 4.586 344 2HB GLU 41 3HB GLU 41 -0.037 -14.957 6.080 345 1HG GLU 41 2HG GLU 41 -2.953 -14.119 5.778 346 2HG GLU 41 3HG GLU 41 -2.395 -15.653 6.444 347 H LEU 42 HN LEU 42 1.218 -11.758 6.501 348 HA LEU 42 HA LEU 42 3.638 -12.798 6.174 349 1HB LEU 42 2HB LEU 42 3.030 -11.497 3.675 350 2HB LEU 42 3HB LEU 42 4.215 -10.505 4.509 351 HG LEU 42 HG LEU 42 5.342 -11.953 3.018 352 1HD1 LEU 42 1HD1 LEU 42 6.886 -13.161 4.451 353 2HD1 LEU 42 2HD1 LEU 42 6.476 -11.582 5.135 354 3HD1 LEU 42 3HD1 LEU 42 5.766 -13.044 5.829 355 1HD2 LEU 42 1HD2 LEU 42 3.651 -13.623 2.680 356 2HD2 LEU 42 2HD2 LEU 42 5.240 -14.339 2.974 357 3HD2 LEU 42 3HD2 LEU 42 3.996 -14.345 4.260 358 H GLU 43 HN GLU 43 5.076 -10.005 5.909 359 HA GLU 43 HA GLU 43 4.188 -8.746 8.383 360 1HB GLU 43 2HB GLU 43 6.555 -8.806 9.231 361 2HB GLU 43 3HB GLU 43 5.707 -10.340 9.316 362 1HG GLU 43 2HG GLU 43 7.220 -11.380 7.964 363 2HG GLU 43 3HG GLU 43 7.219 -10.075 6.794 364 H THR 44 HN THR 44 5.163 -6.699 8.503 365 HA THR 44 HA THR 44 7.133 -5.635 6.548 366 HB THR 44 HB THR 44 5.221 -5.246 5.384 367 HG1 THR 44 HG1 THR 44 5.376 -2.744 5.916 368 1HG2 THR 44 1HG2 THR 44 3.595 -5.080 7.492 369 2HG2 THR 44 2HG2 THR 44 4.154 -3.396 7.598 370 3HG2 THR 44 3HG2 THR 44 3.290 -3.979 6.180 371 HA PRO 45 HA PRO 45 7.707 -3.297 10.335 372 1HB PRO 45 2HB PRO 45 10.254 -2.606 10.025 373 2HB PRO 45 3HB PRO 45 9.839 -4.285 10.391 374 1HG PRO 45 2HG PRO 45 10.626 -3.064 7.746 375 2HG PRO 45 3HG PRO 45 11.063 -4.664 8.393 376 1HD PRO 45 2HD PRO 45 8.947 -3.940 6.656 377 2HD PRO 45 3HD PRO 45 9.157 -5.551 7.440 378 H ALA 46 HN ALA 46 7.593 -2.520 7.058 379 HA ALA 46 HA ALA 46 8.175 0.332 7.120 380 1HB ALA 46 1HB ALA 46 6.888 -1.310 4.913 381 2HB ALA 46 2HB ALA 46 7.659 0.263 4.771 382 3HB ALA 46 3HB ALA 46 8.644 -1.174 5.128 383 H LYS 47 HN LYS 47 6.473 1.899 6.305 384 HA LYS 47 HA LYS 47 4.000 1.532 7.794 385 1HB LYS 47 2HB LYS 47 5.114 3.568 5.834 386 2HB LYS 47 3HB LYS 47 3.419 3.567 6.175 387 1HG LYS 47 2HG LYS 47 4.144 3.702 8.686 388 2HG LYS 47 3HG LYS 47 5.705 4.171 7.999 389 1HD LYS 47 2HD LYS 47 4.977 5.947 6.854 390 2HD LYS 47 3HD LYS 47 3.395 5.510 7.090 391 1HE LYS 47 2HE LYS 47 4.308 5.786 9.687 392 2HE LYS 47 3HE LYS 47 5.032 7.140 8.780 393 1HZ LYS 47 1HZ LYS 47 3.015 7.841 9.711 394 2HZ LYS 47 2HZ LYS 47 2.719 7.751 8.124 395 3HZ LYS 47 3HZ LYS 47 2.162 6.574 9.149 396 H VAL 48 HN VAL 48 1.883 1.196 6.908 397 HA VAL 48 HA VAL 48 1.616 0.510 4.106 398 HB VAL 48 HB VAL 48 1.364 -1.424 6.467 399 1HG1 VAL 48 1HG1 VAL 48 0.330 -3.007 4.838 400 2HG1 VAL 48 2HG1 VAL 48 -0.681 -1.649 5.287 401 3HG1 VAL 48 3HG1 VAL 48 0.103 -1.637 3.709 402 1HG2 VAL 48 1HG2 VAL 48 3.043 -1.216 3.942 403 2HG2 VAL 48 2HG2 VAL 48 3.567 -1.584 5.583 404 3HG2 VAL 48 3HG2 VAL 48 2.690 -2.800 4.604 405 H TYR 49 HN TYR 49 -0.118 1.599 3.587 406 HA TYR 49 HA TYR 49 -2.441 1.825 5.351 407 1HB TYR 49 2HB TYR 49 -1.040 4.143 3.964 408 2HB TYR 49 3HB TYR 49 -2.593 4.218 4.763 409 HD1 TYR 49 HD1 TYR 49 -2.759 4.739 7.099 410 HD2 TYR 49 HD2 TYR 49 1.121 3.681 5.503 411 HE1 TYR 49 HE1 TYR 49 -1.708 5.425 9.212 412 HE2 TYR 49 HE2 TYR 49 2.095 4.213 7.704 413 HH TYR 49 HH TYR 49 0.741 4.664 10.447 414 H ALA 50 HN ALA 50 -4.364 2.381 3.822 415 HA ALA 50 HA ALA 50 -3.794 1.676 0.936 416 1HB ALA 50 1HB ALA 50 -5.992 0.598 2.685 417 2HB ALA 50 2HB ALA 50 -5.579 0.192 0.984 418 3HB ALA 50 3HB ALA 50 -4.501 -0.268 2.297 419 H ILE 51 HN ILE 51 -5.287 2.672 -0.513 420 HA ILE 51 HA ILE 51 -6.572 5.094 0.496 421 HB ILE 51 HB ILE 51 -6.298 3.881 -2.291 422 1HG1 ILE 51 2HG1 ILE 51 -4.203 4.733 -1.520 423 2HG1 ILE 51 3HG1 ILE 51 -4.862 5.750 -2.788 424 1HG2 ILE 51 1HG2 ILE 51 -7.311 5.826 -3.240 425 2HG2 ILE 51 2HG2 ILE 51 -8.436 5.228 -2.066 426 3HG2 ILE 51 3HG2 ILE 51 -7.470 6.641 -1.662 427 1HD1 ILE 51 1HD1 ILE 51 -5.554 7.395 -0.944 428 2HD1 ILE 51 2HD1 ILE 51 -4.631 6.374 0.184 429 3HD1 ILE 51 3HD1 ILE 51 -3.826 7.163 -1.187 430 H LYS 52 HN LYS 52 -8.247 5.112 1.452 431 HA LYS 52 HA LYS 52 -10.331 3.412 1.666 432 1HB LYS 52 2HB LYS 52 -9.991 5.308 3.103 433 2HB LYS 52 3HB LYS 52 -10.282 6.460 1.791 434 1HG LYS 52 2HG LYS 52 -12.591 6.034 1.736 435 2HG LYS 52 3HG LYS 52 -12.398 4.445 2.499 436 1HD LYS 52 2HD LYS 52 -13.425 5.812 4.087 437 2HD LYS 52 3HD LYS 52 -11.750 5.587 4.629 438 1HE LYS 52 2HE LYS 52 -11.189 7.839 3.900 439 2HE LYS 52 3HE LYS 52 -12.820 8.053 3.210 440 1HZ LYS 52 1HZ LYS 52 -12.624 9.024 5.418 441 2HZ LYS 52 2HZ LYS 52 -13.713 7.776 5.447 442 3HZ LYS 52 3HZ LYS 52 -12.220 7.587 6.074 443 H ASP 53 HN ASP 53 -10.411 6.281 -0.541 444 HA ASP 53 HA ASP 53 -12.849 5.797 -1.776 445 1HB ASP 53 2HB ASP 53 -10.246 7.062 -2.775 446 2HB ASP 53 3HB ASP 53 -11.606 6.893 -3.865 447 H ASP 54 HN ASP 54 -9.666 4.778 -3.218 448 HA ASP 54 HA ASP 54 -10.721 3.335 -5.299 449 1HB ASP 54 2HB ASP 54 -8.158 3.286 -3.707 450 2HB ASP 54 3HB ASP 54 -8.484 1.980 -4.822 451 H PHE 55 HN PHE 55 -10.151 2.185 -1.960 452 HA PHE 55 HA PHE 55 -10.652 -0.596 -2.411 453 1HB PHE 55 2HB PHE 55 -9.508 0.562 -0.490 454 2HB PHE 55 3HB PHE 55 -11.058 1.110 0.081 455 HD1 PHE 55 HD1 PHE 55 -9.885 -2.325 -1.069 456 HD2 PHE 55 HD2 PHE 55 -11.440 0.102 2.134 457 HE1 PHE 55 HE1 PHE 55 -9.859 -4.272 0.407 458 HE2 PHE 55 HE2 PHE 55 -11.591 -1.919 3.552 459 HZ PHE 55 HZ PHE 55 -10.789 -4.116 2.683 460 H LEU 56 HN LEU 56 -12.685 2.126 -1.401 461 HA LEU 56 HA LEU 56 -15.146 0.665 -1.046 462 1HB LEU 56 2HB LEU 56 -14.448 3.566 -1.653 463 2HB LEU 56 3HB LEU 56 -16.068 3.074 -1.292 464 HG LEU 56 HG LEU 56 -13.741 2.566 0.622 465 1HD1 LEU 56 1HD1 LEU 56 -14.622 4.561 1.817 466 2HD1 LEU 56 2HD1 LEU 56 -14.054 4.979 0.182 467 3HD1 LEU 56 3HD1 LEU 56 -15.800 4.808 0.504 468 1HD2 LEU 56 1HD2 LEU 56 -15.831 1.171 0.985 469 2HD2 LEU 56 2HD2 LEU 56 -15.455 2.267 2.321 470 3HD2 LEU 56 3HD2 LEU 56 -16.749 2.675 1.172 471 H ALA 57 HN ALA 57 -13.579 2.300 -3.796 472 HA ALA 57 HA ALA 57 -15.760 1.828 -5.590 473 1HB ALA 57 1HB ALA 57 -14.034 3.538 -6.048 474 2HB ALA 57 2HB ALA 57 -12.815 2.263 -6.247 475 3HB ALA 57 3HB ALA 57 -14.173 2.374 -7.378 476 H ARG 58 HN ARG 58 -13.272 -0.165 -4.219 477 HA ARG 58 HA ARG 58 -13.616 -2.361 -6.225 478 1HB ARG 58 2HB ARG 58 -11.480 -1.314 -4.486 479 2HB ARG 58 3HB ARG 58 -11.697 -2.939 -4.120 480 1HG ARG 58 2HG ARG 58 -11.427 -2.113 -7.019 481 2HG ARG 58 3HG ARG 58 -10.033 -2.126 -5.953 482 1HD ARG 58 2HD ARG 58 -9.917 -4.191 -6.957 483 2HD ARG 58 3HD ARG 58 -10.562 -4.543 -5.370 484 HE ARG 58 HE ARG 58 -12.031 -4.351 -7.995 485 1HH1 ARG 58 2HH2 ARG 58 -12.701 -5.400 -4.669 486 2HH1 ARG 58 1HH2 ARG 58 -13.561 -6.787 -5.150 487 1HH2 ARG 58 2HH1 ARG 58 -13.545 -5.727 -8.537 488 2HH2 ARG 58 1HH1 ARG 58 -14.386 -6.716 -7.393 489 H GLY 59 HN GLY 59 -15.781 -1.599 -4.279 490 1HA GLY 59 1HA GLY 59 -17.310 -2.714 -2.994 491 2HA GLY 59 2HA GLY 59 -16.828 -4.085 -3.994 492 H TYR 60 HN TYR 60 -15.331 -2.329 -1.194 493 HA TYR 60 HA TYR 60 -15.441 -4.790 0.420 494 1HB TYR 60 2HB TYR 60 -13.352 -2.583 0.205 495 2HB TYR 60 3HB TYR 60 -13.470 -3.673 1.560 496 HD1 TYR 60 HD1 TYR 60 -12.468 -3.302 -1.914 497 HD2 TYR 60 HD2 TYR 60 -12.756 -6.042 1.384 498 HE1 TYR 60 HE1 TYR 60 -10.954 -4.902 -3.121 499 HE2 TYR 60 HE2 TYR 60 -11.367 -7.667 0.157 500 HH TYR 60 HH TYR 60 -10.263 -8.133 -1.871 501 H SER 61 HN SER 61 -15.204 -3.717 2.874 502 HA SER 61 HA SER 61 -16.521 -1.127 2.912 503 1HB SER 61 2HB SER 61 -18.205 -2.945 3.443 504 2HB SER 61 3HB SER 61 -17.276 -3.293 4.909 505 HG SER 61 HG SER 61 -18.243 -0.685 4.249 506 H GLU 62 HN GLU 62 -16.230 -0.318 5.484 507 HA GLU 62 HA GLU 62 -13.540 0.378 5.251 508 1HB GLU 62 2HB GLU 62 -15.317 1.054 7.610 509 2HB GLU 62 3HB GLU 62 -14.029 2.007 6.912 510 1HG GLU 62 2HG GLU 62 -15.600 1.970 4.748 511 2HG GLU 62 3HG GLU 62 -16.864 1.611 5.919 512 H GLU 63 HN GLU 63 -14.972 -2.175 7.002 513 HA GLU 63 HA GLU 63 -12.723 -2.266 8.925 514 1HB GLU 63 2HB GLU 63 -15.545 -2.811 9.166 515 2HB GLU 63 3HB GLU 63 -14.661 -4.304 9.460 516 1HG GLU 63 2HG GLU 63 -13.109 -2.918 10.997 517 2HG GLU 63 3HG GLU 63 -14.333 -1.643 10.910 518 H ASP 64 HN ASP 64 -13.379 -3.377 5.902 519 HA ASP 64 HA ASP 64 -12.827 -6.203 6.258 520 1HB ASP 64 2HB ASP 64 -13.059 -4.517 3.729 521 2HB ASP 64 3HB ASP 64 -13.035 -6.269 3.800 522 H SER 65 HN SER 65 -10.949 -3.373 5.687 523 HA SER 65 HA SER 65 -8.727 -4.718 4.296 524 1HB SER 65 2HB SER 65 -9.594 -1.958 4.780 525 2HB SER 65 3HB SER 65 -7.973 -2.156 5.405 526 HG SER 65 HG SER 65 -8.323 -1.567 3.090 527 H LYS 66 HN LYS 66 -7.054 -5.688 5.489 528 HA LYS 66 HA LYS 66 -6.999 -5.235 8.417 529 1HB LYS 66 2HB LYS 66 -5.475 -7.034 8.544 530 2HB LYS 66 3HB LYS 66 -6.837 -7.498 7.524 531 1HG LYS 66 2HG LYS 66 -5.597 -7.874 5.714 532 2HG LYS 66 3HG LYS 66 -4.494 -6.497 5.992 533 1HD LYS 66 2HD LYS 66 -3.427 -7.827 7.788 534 2HD LYS 66 3HD LYS 66 -4.480 -9.197 7.385 535 1HE LYS 66 2HE LYS 66 -3.412 -9.203 5.021 536 2HE LYS 66 3HE LYS 66 -2.373 -7.906 5.586 537 1HZ LYS 66 1HZ LYS 66 -2.424 -10.696 6.415 538 2HZ LYS 66 2HZ LYS 66 -1.146 -9.748 6.030 539 3HZ LYS 66 3HZ LYS 66 -1.849 -9.610 7.511 540 H VAL 67 HN VAL 67 -6.446 -2.844 7.047 541 HA VAL 67 HA VAL 67 -3.893 -2.124 8.174 542 HB VAL 67 HB VAL 67 -2.675 -1.500 6.364 543 1HG1 VAL 67 1HG1 VAL 67 -3.988 -3.956 5.244 544 2HG1 VAL 67 2HG1 VAL 67 -2.502 -3.205 4.638 545 3HG1 VAL 67 3HG1 VAL 67 -2.554 -3.840 6.282 546 1HG2 VAL 67 1HG2 VAL 67 -3.374 -1.064 4.110 547 2HG2 VAL 67 2HG2 VAL 67 -5.075 -1.516 4.515 548 3HG2 VAL 67 3HG2 VAL 67 -4.310 -0.081 5.212 549 HA PRO 68 HA PRO 68 -6.279 1.614 8.537 550 1HB PRO 68 2HB PRO 68 -4.456 3.640 8.436 551 2HB PRO 68 3HB PRO 68 -4.566 2.477 9.795 552 1HG PRO 68 2HG PRO 68 -2.631 2.455 7.500 553 2HG PRO 68 3HG PRO 68 -2.320 2.074 9.224 554 1HD PRO 68 2HD PRO 68 -2.712 0.319 7.170 555 2HD PRO 68 3HD PRO 68 -2.983 -0.079 8.881 556 H LEU 69 HN LEU 69 -7.676 2.233 7.259 557 HA LEU 69 HA LEU 69 -7.213 2.879 4.428 558 1HB LEU 69 2HB LEU 69 -9.637 3.069 6.249 559 2HB LEU 69 3HB LEU 69 -9.695 3.309 4.510 560 HG LEU 69 HG LEU 69 -9.082 0.699 5.974 561 1HD1 LEU 69 1HD1 LEU 69 -11.486 1.437 6.044 562 2HD1 LEU 69 2HD1 LEU 69 -11.500 1.448 4.271 563 3HD1 LEU 69 3HD1 LEU 69 -11.237 -0.061 5.159 564 1HD2 LEU 69 1HD2 LEU 69 -9.361 -0.164 3.579 565 2HD2 LEU 69 2HD2 LEU 69 -9.109 1.496 3.053 566 3HD2 LEU 69 3HD2 LEU 69 -7.843 0.652 3.978 567 H ILE 70 HN ILE 70 -6.499 4.661 3.863 568 HA ILE 70 HA ILE 70 -7.096 7.190 5.343 569 HB ILE 70 HB ILE 70 -4.938 7.961 4.875 570 1HG1 ILE 70 2HG1 ILE 70 -4.367 5.486 3.209 571 2HG1 ILE 70 3HG1 ILE 70 -4.645 7.120 2.582 572 1HG2 ILE 70 1HG2 ILE 70 -5.227 6.363 6.791 573 2HG2 ILE 70 2HG2 ILE 70 -4.500 5.096 5.787 574 3HG2 ILE 70 3HG2 ILE 70 -3.576 6.564 6.219 575 1HD1 ILE 70 1HD1 ILE 70 -2.271 6.517 2.576 576 2HD1 ILE 70 2HD1 ILE 70 -2.625 7.936 3.568 577 3HD1 ILE 70 3HD1 ILE 70 -2.287 6.397 4.348 578 H THR 71 HN THR 71 -6.639 9.192 3.703 579 HA THR 71 HA THR 71 -7.918 8.448 1.122 580 HB THR 71 HB THR 71 -8.264 11.131 1.258 581 HG1 THR 71 HG1 THR 71 -7.697 11.416 3.410 582 1HG2 THR 71 1HG2 THR 71 -9.991 9.240 0.865 583 2HG2 THR 71 2HG2 THR 71 -10.113 9.085 2.613 584 3HG2 THR 71 3HG2 THR 71 -10.591 10.610 1.803 585 H TYR 72 HN TYR 72 -7.306 10.008 -0.668 586 HA TYR 72 HA TYR 72 -4.692 9.585 -1.345 587 1HB TYR 72 2HB TYR 72 -6.677 11.696 -2.230 588 2HB TYR 72 3HB TYR 72 -5.111 11.550 -2.964 589 HD1 TYR 72 HD1 TYR 72 -4.862 8.467 -3.111 590 HD2 TYR 72 HD2 TYR 72 -8.024 11.210 -4.125 591 HE1 TYR 72 HE1 TYR 72 -5.800 6.805 -4.644 592 HE2 TYR 72 HE2 TYR 72 -8.979 9.543 -5.685 593 HH TYR 72 HH TYR 72 -7.663 6.201 -5.963 594 H SER 73 HN SER 73 -5.796 12.502 0.490 595 HA SER 73 HA SER 73 -3.248 13.762 -0.018 596 1HB SER 73 2HB SER 73 -3.928 15.489 1.364 597 2HB SER 73 3HB SER 73 -5.356 14.932 0.417 598 HG SER 73 HG SER 73 -4.874 15.027 3.100 599 H GLU 74 HN GLU 74 -4.460 11.624 2.537 600 HA GLU 74 HA GLU 74 -2.222 11.957 4.337 601 1HB GLU 74 2HB GLU 74 -4.380 9.885 3.933 602 2HB GLU 74 3HB GLU 74 -3.025 9.600 5.005 603 1HG GLU 74 2HG GLU 74 -4.094 12.195 5.644 604 2HG GLU 74 3HG GLU 74 -5.441 11.065 5.525 605 H PHE 75 HN PHE 75 -2.790 10.134 1.366 606 HA PHE 75 HA PHE 75 -0.496 8.397 1.624 607 1HB PHE 75 2HB PHE 75 -2.070 7.620 0.194 608 2HB PHE 75 3HB PHE 75 -2.466 9.157 -0.477 609 HD1 PHE 75 HD1 PHE 75 0.869 7.316 -0.453 610 HD2 PHE 75 HD2 PHE 75 -2.336 9.066 -2.760 611 HE1 PHE 75 HE1 PHE 75 1.915 6.503 -2.522 612 HE2 PHE 75 HE2 PHE 75 -1.266 8.280 -4.834 613 HZ PHE 75 HZ PHE 75 0.823 6.946 -4.735 614 H ILE 76 HN ILE 76 -0.984 11.677 0.194 615 HA ILE 76 HA ILE 76 1.681 11.807 -0.838 616 HB ILE 76 HB ILE 76 -0.151 14.087 0.034 617 1HG1 ILE 76 2HG1 ILE 76 -1.402 12.981 -1.605 618 2HG1 ILE 76 3HG1 ILE 76 -0.589 14.254 -2.483 619 1HG2 ILE 76 1HG2 ILE 76 1.210 15.473 -1.475 620 2HG2 ILE 76 2HG2 ILE 76 2.215 14.773 -0.194 621 3HG2 ILE 76 3HG2 ILE 76 2.265 14.090 -1.826 622 1HD1 ILE 76 1HD1 ILE 76 -0.598 12.251 -3.821 623 2HD1 ILE 76 2HD1 ILE 76 1.079 12.522 -3.302 624 3HD1 ILE 76 3HD1 ILE 76 0.074 11.275 -2.515 625 H ASP 77 HN ASP 77 0.383 12.394 2.398 626 HA ASP 77 HA ASP 77 2.736 13.585 3.559 627 1HB ASP 77 2HB ASP 77 1.087 13.970 4.816 628 2HB ASP 77 3HB ASP 77 0.095 12.594 4.380 629 H LEU 78 HN LEU 78 2.119 10.382 2.476 630 HA LEU 78 HA LEU 78 4.173 9.333 4.269 631 1HB LEU 78 2HB LEU 78 2.315 8.013 2.229 632 2HB LEU 78 3HB LEU 78 3.539 7.120 3.109 633 HG LEU 78 HG LEU 78 1.357 8.750 4.513 634 1HD1 LEU 78 1HD1 LEU 78 1.446 5.768 3.934 635 2HD1 LEU 78 2HD1 LEU 78 0.284 6.599 5.005 636 3HD1 LEU 78 3HD1 LEU 78 0.288 6.963 3.286 637 1HD2 LEU 78 1HD2 LEU 78 3.171 8.468 5.986 638 2HD2 LEU 78 2HD2 LEU 78 2.078 7.116 6.350 639 3HD2 LEU 78 3HD2 LEU 78 3.535 6.851 5.348 640 H LEU 79 HN LEU 79 4.202 11.063 1.512 641 HA LEU 79 HA LEU 79 6.496 9.656 0.151 642 1HB LEU 79 2HB LEU 79 4.480 11.590 -1.018 643 2HB LEU 79 3HB LEU 79 5.840 10.843 -1.851 644 HG LEU 79 HG LEU 79 3.398 9.407 -0.723 645 1HD1 LEU 79 1HD1 LEU 79 2.784 9.095 -3.052 646 2HD1 LEU 79 2HD1 LEU 79 2.962 10.814 -2.701 647 3HD1 LEU 79 3HD1 LEU 79 4.248 9.967 -3.588 648 1HD2 LEU 79 1HD2 LEU 79 4.303 7.430 -1.978 649 2HD2 LEU 79 2HD2 LEU 79 5.823 8.342 -2.189 650 3HD2 LEU 79 3HD2 LEU 79 5.263 7.894 -0.571 651 H GLU 80 HN GLU 80 5.029 12.909 0.369 652 HA GLU 80 HA GLU 80 5.931 14.977 0.395 653 1HB GLU 80 2HB GLU 80 7.460 13.796 2.707 654 2HB GLU 80 3HB GLU 80 7.313 15.523 2.349 655 1HG GLU 80 2HG GLU 80 4.829 15.369 2.587 656 2HG GLU 80 3HG GLU 80 4.950 13.670 2.939 657 H GLY 81 HN GLY 81 8.974 13.681 1.348 658 1HA GLY 81 1HA GLY 81 10.248 14.663 -1.198 659 2HA GLY 81 2HA GLY 81 10.994 14.850 0.386 660 H GLU 82 HN GLU 82 9.257 11.897 -0.704 661 HA GLU 82 HA GLU 82 11.798 10.390 -0.905 662 1HB GLU 82 2HB GLU 82 9.178 9.581 0.440 663 2HB GLU 82 3HB GLU 82 10.413 8.446 -0.031 664 1HG GLU 82 2HG GLU 82 11.284 10.667 1.791 665 2HG GLU 82 3HG GLU 82 10.204 9.434 2.448 666 H GLU 83 HN GLU 83 11.827 9.681 -3.102 667 HA GLU 83 HA GLU 83 9.236 8.701 -4.111 668 1HB GLU 83 2HB GLU 83 11.024 10.701 -5.345 669 2HB GLU 83 3HB GLU 83 10.541 9.381 -6.432 670 1HG GLU 83 2HG GLU 83 8.164 9.738 -5.685 671 2HG GLU 83 3HG GLU 83 8.704 11.191 -4.843 672 H LYS 84 HN LYS 84 9.806 6.695 -3.196 673 HA LYS 84 HA LYS 84 11.185 4.950 -5.125 674 1HB LYS 84 2HB LYS 84 12.903 4.188 -3.484 675 2HB LYS 84 3HB LYS 84 13.069 5.892 -3.793 676 1HG LYS 84 2HG LYS 84 11.303 5.909 -1.616 677 2HG LYS 84 3HG LYS 84 12.290 4.481 -1.294 678 1HD LYS 84 2HD LYS 84 13.231 6.394 -0.188 679 2HD LYS 84 3HD LYS 84 14.339 5.941 -1.505 680 1HE LYS 84 2HE LYS 84 13.386 7.718 -2.940 681 2HE LYS 84 3HE LYS 84 12.146 8.054 -1.737 682 1HZ LYS 84 1HZ LYS 84 14.097 9.628 -1.653 683 2HZ LYS 84 2HZ LYS 84 13.847 8.861 -0.242 684 3HZ LYS 84 3HZ LYS 84 15.067 8.398 -1.203 685 H PHE 85 HN PHE 85 8.462 5.086 -3.987 686 HA PHE 85 HA PHE 85 7.763 2.469 -3.907 687 1HB PHE 85 2HB PHE 85 7.174 2.239 -1.373 688 2HB PHE 85 3HB PHE 85 8.687 1.712 -2.053 689 HD1 PHE 85 HD1 PHE 85 7.729 5.237 -0.944 690 HD2 PHE 85 HD2 PHE 85 10.240 1.796 -0.331 691 HE1 PHE 85 HE1 PHE 85 9.011 6.480 0.769 692 HE2 PHE 85 HE2 PHE 85 11.534 3.071 1.357 693 HZ PHE 85 HZ PHE 85 10.922 5.397 1.921 694 H ILE 86 HN ILE 86 6.390 3.769 -5.195 695 HA ILE 86 HA ILE 86 4.362 5.403 -3.741 696 HB ILE 86 HB ILE 86 4.640 5.794 -6.657 697 1HG1 ILE 86 2HG1 ILE 86 6.977 5.963 -6.228 698 2HG1 ILE 86 3HG1 ILE 86 6.287 7.539 -6.418 699 1HG2 ILE 86 1HG2 ILE 86 4.084 7.577 -4.268 700 2HG2 ILE 86 2HG2 ILE 86 4.199 8.167 -5.928 701 3HG2 ILE 86 3HG2 ILE 86 2.932 7.023 -5.504 702 1HD1 ILE 86 1HD1 ILE 86 8.051 7.086 -4.506 703 2HD1 ILE 86 2HD1 ILE 86 6.753 8.268 -4.276 704 3HD1 ILE 86 3HD1 ILE 86 6.628 6.669 -3.562 705 H GLY 87 HN GLY 87 2.107 5.288 -5.281 706 1HA GLY 87 1HA GLY 87 2.412 4.127 -7.520 707 2HA GLY 87 2HA GLY 87 1.908 2.688 -6.652 Start of MODEL 6 1 1H MET 1 HN MET 1 -15.899 -1.488 4.449 2 HA MET 1 HA MET 1 -15.284 -1.345 7.345 3 1HB MET 1 2HB MET 1 -16.049 -3.555 6.565 4 2HB MET 1 3HB MET 1 -14.773 -3.593 5.334 5 1HG MET 1 2HG MET 1 -13.065 -3.758 7.004 6 2HG MET 1 3HG MET 1 -14.193 -3.321 8.295 7 1HE MET 1 1HE MET 1 -14.961 -6.021 5.359 8 2HE MET 1 2HE MET 1 -13.215 -6.121 5.658 9 3HE MET 1 3HE MET 1 -14.279 -7.457 6.139 10 H ALA 2 HN ALA 2 -13.722 0.247 7.503 11 HA ALA 2 HA ALA 2 -11.962 0.741 5.183 12 1HB ALA 2 1HB ALA 2 -11.453 2.835 6.379 13 2HB ALA 2 2HB ALA 2 -13.198 2.633 6.178 14 3HB ALA 2 3HB ALA 2 -12.443 2.308 7.763 15 H LEU 3 HN LEU 3 -9.656 0.892 5.455 16 HA LEU 3 HA LEU 3 -8.372 -0.231 7.881 17 1HB LEU 3 2HB LEU 3 -7.920 -0.934 4.939 18 2HB LEU 3 3HB LEU 3 -6.834 -1.456 6.242 19 HG LEU 3 HG LEU 3 -9.257 -2.311 7.283 20 1HD1 LEU 3 1HD1 LEU 3 -10.496 -1.876 5.213 21 2HD1 LEU 3 2HD1 LEU 3 -9.316 -2.792 4.288 22 3HD1 LEU 3 3HD1 LEU 3 -10.372 -3.618 5.463 23 1HD2 LEU 3 1HD2 LEU 3 -7.579 -4.120 5.558 24 2HD2 LEU 3 2HD2 LEU 3 -7.079 -3.560 7.182 25 3HD2 LEU 3 3HD2 LEU 3 -8.545 -4.517 6.988 26 H VAL 4 HN VAL 4 -7.351 1.527 8.601 27 HA VAL 4 HA VAL 4 -6.138 3.305 6.558 28 HB VAL 4 HB VAL 4 -6.899 5.150 7.722 29 1HG1 VAL 4 1HG1 VAL 4 -8.629 3.969 6.403 30 2HG1 VAL 4 2HG1 VAL 4 -9.297 3.343 7.926 31 3HG1 VAL 4 3HG1 VAL 4 -9.225 5.093 7.647 32 1HG2 VAL 4 1HG2 VAL 4 -6.521 4.944 9.925 33 2HG2 VAL 4 2HG2 VAL 4 -8.289 4.800 9.946 34 3HG2 VAL 4 3HG2 VAL 4 -7.192 3.348 10.064 35 H LEU 5 HN LEU 5 -4.711 1.255 7.506 36 HA LEU 5 HA LEU 5 -2.642 2.530 9.006 37 1HB LEU 5 2HB LEU 5 -2.442 0.936 10.780 38 2HB LEU 5 3HB LEU 5 -3.931 1.828 10.800 39 HG LEU 5 HG LEU 5 -4.678 -0.486 9.376 40 1HD1 LEU 5 1HD1 LEU 5 -3.855 -2.362 10.832 41 2HD1 LEU 5 2HD1 LEU 5 -2.608 -1.650 9.814 42 3HD1 LEU 5 3HD1 LEU 5 -2.684 -1.223 11.561 43 1HD2 LEU 5 1HD2 LEU 5 -5.894 -1.121 11.342 44 2HD2 LEU 5 2HD2 LEU 5 -4.850 -0.108 12.361 45 3HD2 LEU 5 3HD2 LEU 5 -5.939 0.644 11.176 46 H VAL 6 HN VAL 6 -0.633 1.656 8.173 47 HA VAL 6 HA VAL 6 -0.702 -1.008 7.121 48 HB VAL 6 HB VAL 6 -1.725 0.037 5.252 49 1HG1 VAL 6 1HG1 VAL 6 -1.165 2.331 5.462 50 2HG1 VAL 6 2HG1 VAL 6 0.565 1.979 5.261 51 3HG1 VAL 6 3HG1 VAL 6 -0.550 1.773 3.895 52 1HG2 VAL 6 1HG2 VAL 6 1.078 -0.451 4.291 53 2HG2 VAL 6 2HG2 VAL 6 -0.051 -1.749 4.733 54 3HG2 VAL 6 3HG2 VAL 6 -0.401 -0.601 3.424 55 H LYS 7 HN LYS 7 0.724 -0.042 9.199 56 HA LYS 7 HA LYS 7 3.549 0.105 8.185 57 1HB LYS 7 2HB LYS 7 4.052 1.345 10.282 58 2HB LYS 7 3HB LYS 7 2.916 2.201 9.238 59 1HG LYS 7 2HG LYS 7 1.074 1.774 10.631 60 2HG LYS 7 3HG LYS 7 1.872 0.430 11.475 61 1HD LYS 7 2HD LYS 7 3.346 1.860 12.652 62 2HD LYS 7 3HD LYS 7 2.846 3.272 11.679 63 1HE LYS 7 2HE LYS 7 0.542 3.060 12.536 64 2HE LYS 7 3HE LYS 7 0.986 1.648 13.490 65 1HZ LYS 7 1HZ LYS 7 2.333 4.269 13.811 66 2HZ LYS 7 2HZ LYS 7 0.963 3.884 14.614 67 3HZ LYS 7 3HZ LYS 7 2.322 3.016 14.899 68 H TYR 8 HN TYR 8 1.845 -2.338 8.831 69 HA TYR 8 HA TYR 8 3.768 -3.586 10.763 70 1HB TYR 8 2HB TYR 8 0.984 -2.844 11.167 71 2HB TYR 8 3HB TYR 8 0.998 -4.556 11.003 72 HD1 TYR 8 HD1 TYR 8 2.801 -5.842 12.483 73 HD2 TYR 8 HD2 TYR 8 1.314 -1.892 13.251 74 HE1 TYR 8 HE1 TYR 8 3.325 -6.132 14.872 75 HE2 TYR 8 HE2 TYR 8 1.813 -2.159 15.660 76 HH TYR 8 HH TYR 8 2.151 -4.046 17.317 77 H GLY 9 HN GLY 9 3.660 -3.588 7.835 78 1HA GLY 9 1HA GLY 9 3.637 -5.008 6.032 79 2HA GLY 9 2HA GLY 9 3.818 -6.353 7.131 80 H THR 10 HN THR 10 2.086 -7.447 7.661 81 HA THR 10 HA THR 10 0.063 -7.257 5.586 82 HB THR 10 HB THR 10 -0.552 -9.576 6.337 83 HG1 THR 10 HG1 THR 10 0.885 -8.930 8.375 84 1HG2 THR 10 1HG2 THR 10 2.358 -9.096 5.510 85 2HG2 THR 10 2HG2 THR 10 1.431 -10.584 5.277 86 3HG2 THR 10 3HG2 THR 10 0.968 -9.126 4.397 87 H ASP 11 HN ASP 11 -1.093 -5.353 6.576 88 HA ASP 11 HA ASP 11 -3.391 -6.473 7.990 89 1HB ASP 11 2HB ASP 11 -1.559 -5.760 9.707 90 2HB ASP 11 3HB ASP 11 -2.043 -4.133 9.363 91 H HIS 12 HN HIS 12 -3.382 -5.419 5.365 92 HA HIS 12 HA HIS 12 -5.520 -3.641 5.400 93 1HB HIS 12 2HB HIS 12 -4.628 -1.593 4.830 94 2HB HIS 12 3HB HIS 12 -3.244 -2.173 5.721 95 HD1 HIS 12 HD1 HIS 12 -2.052 -4.114 3.328 96 HD2 HIS 12 HD2 HIS 12 -3.493 -0.196 2.899 97 HE1 HIS 12 HE1 HIS 12 -1.018 -3.198 1.247 98 HA PRO 13 HA PRO 13 -5.949 -5.697 1.544 99 1HB PRO 13 2HB PRO 13 -7.253 -4.012 -0.134 100 2HB PRO 13 3HB PRO 13 -8.024 -4.603 1.371 101 1HG PRO 13 2HG PRO 13 -6.684 -1.938 0.931 102 2HG PRO 13 3HG PRO 13 -8.260 -2.307 1.714 103 1HD PRO 13 2HD PRO 13 -5.921 -1.920 3.103 104 2HD PRO 13 3HD PRO 13 -7.223 -3.003 3.684 105 H VAL 14 HN VAL 14 -5.099 -5.961 -0.648 106 HA VAL 14 HA VAL 14 -4.155 -4.358 -2.436 107 HB VAL 14 HB VAL 14 -2.124 -4.450 -0.310 108 1HG1 VAL 14 1HG1 VAL 14 -0.167 -4.372 -1.831 109 2HG1 VAL 14 2HG1 VAL 14 -0.917 -5.967 -1.775 110 3HG1 VAL 14 3HG1 VAL 14 -1.194 -4.901 -3.173 111 1HG2 VAL 14 1HG2 VAL 14 -2.404 -2.768 -2.861 112 2HG2 VAL 14 2HG2 VAL 14 -3.210 -2.362 -1.357 113 3HG2 VAL 14 3HG2 VAL 14 -1.472 -2.325 -1.407 114 H GLU 15 HN GLU 15 -3.392 -7.336 -0.597 115 HA GLU 15 HA GLU 15 -3.827 -8.863 -3.136 116 1HB GLU 15 2HB GLU 15 -1.696 -9.711 -3.104 117 2HB GLU 15 3HB GLU 15 -1.424 -8.059 -2.701 118 1HG GLU 15 2HG GLU 15 -0.291 -8.713 -0.930 119 2HG GLU 15 3HG GLU 15 -1.834 -9.213 -0.199 120 H LYS 16 HN LYS 16 -5.152 -8.530 -0.361 121 HA LYS 16 HA LYS 16 -5.784 -11.300 0.031 122 1HB LYS 16 2HB LYS 16 -3.462 -10.923 1.141 123 2HB LYS 16 3HB LYS 16 -4.324 -10.024 2.377 124 1HG LYS 16 2HG LYS 16 -4.470 -12.118 3.351 125 2HG LYS 16 3HG LYS 16 -5.910 -12.217 2.338 126 1HD LYS 16 2HD LYS 16 -4.265 -13.089 0.463 127 2HD LYS 16 3HD LYS 16 -3.131 -13.238 1.835 128 1HE LYS 16 2HE LYS 16 -4.997 -14.668 2.940 129 2HE LYS 16 3HE LYS 16 -5.677 -14.787 1.307 130 1HZ LYS 16 1HZ LYS 16 -3.398 -15.614 0.634 131 2HZ LYS 16 2HZ LYS 16 -2.982 -15.578 2.213 132 3HZ LYS 16 3HZ LYS 16 -4.140 -16.613 1.734 133 H LEU 17 HN LEU 17 -5.485 -8.503 2.231 134 HA LEU 17 HA LEU 17 -8.033 -8.699 3.146 135 1HB LEU 17 2HB LEU 17 -5.864 -6.885 3.432 136 2HB LEU 17 3HB LEU 17 -7.316 -5.910 3.400 137 HG LEU 17 HG LEU 17 -6.658 -6.497 5.637 138 1HD1 LEU 17 1HD1 LEU 17 -9.009 -6.092 5.061 139 2HD1 LEU 17 2HD1 LEU 17 -9.266 -7.798 4.755 140 3HD1 LEU 17 3HD1 LEU 17 -8.845 -7.257 6.399 141 1HD2 LEU 17 1HD2 LEU 17 -7.170 -9.430 4.937 142 2HD2 LEU 17 2HD2 LEU 17 -5.591 -8.676 5.224 143 3HD2 LEU 17 3HD2 LEU 17 -6.792 -8.756 6.521 144 H LYS 18 HN LYS 18 -6.941 -7.109 0.226 145 HA LYS 18 HA LYS 18 -9.219 -5.619 -0.469 146 1HB LYS 18 2HB LYS 18 -8.322 -5.282 -2.497 147 2HB LYS 18 3HB LYS 18 -6.881 -5.891 -1.752 148 1HG LYS 18 2HG LYS 18 -8.773 -7.631 -3.444 149 2HG LYS 18 3HG LYS 18 -7.455 -6.724 -4.106 150 1HD LYS 18 2HD LYS 18 -5.820 -8.019 -3.228 151 2HD LYS 18 3HD LYS 18 -6.762 -8.447 -1.798 152 1HE LYS 18 2HE LYS 18 -6.384 -10.414 -3.104 153 2HE LYS 18 3HE LYS 18 -8.100 -10.012 -3.028 154 1HZ LYS 18 1HZ LYS 18 -6.376 -9.440 -5.338 155 2HZ LYS 18 2HZ LYS 18 -7.292 -10.759 -5.238 156 3HZ LYS 18 3HZ LYS 18 -8.004 -9.296 -5.325 157 H ILE 19 HN ILE 19 -8.713 -9.168 -0.604 158 HA ILE 19 HA ILE 19 -10.855 -9.611 -2.488 159 HB ILE 19 HB ILE 19 -8.650 -11.042 -1.381 160 1HG1 ILE 19 2HG1 ILE 19 -10.590 -12.420 -3.235 161 2HG1 ILE 19 3HG1 ILE 19 -9.691 -11.007 -3.777 162 1HG2 ILE 19 1HG2 ILE 19 -11.145 -12.675 -0.847 163 2HG2 ILE 19 2HG2 ILE 19 -9.457 -13.234 -0.795 164 3HG2 ILE 19 3HG2 ILE 19 -10.004 -12.042 0.378 165 1HD1 ILE 19 1HD1 ILE 19 -8.586 -13.671 -2.823 166 2HD1 ILE 19 2HD1 ILE 19 -8.338 -12.859 -4.372 167 3HD1 ILE 19 3HD1 ILE 19 -7.574 -12.222 -2.895 168 H ARG 20 HN ARG 20 -10.396 -9.661 1.044 169 HA ARG 20 HA ARG 20 -13.000 -10.579 1.739 170 1HB ARG 20 2HB ARG 20 -10.998 -8.906 3.291 171 2HB ARG 20 3HB ARG 20 -12.430 -9.636 3.971 172 1HG ARG 20 2HG ARG 20 -11.430 -11.595 4.297 173 2HG ARG 20 3HG ARG 20 -10.919 -11.720 2.612 174 1HD ARG 20 2HD ARG 20 -8.830 -10.828 2.999 175 2HD ARG 20 3HD ARG 20 -9.375 -9.869 4.375 176 HE ARG 20 HE ARG 20 -8.186 -12.461 4.436 177 1HH1 ARG 20 2HH2 ARG 20 -10.353 -10.216 6.262 178 2HH1 ARG 20 1HH2 ARG 20 -10.122 -11.046 7.739 179 1HH2 ARG 20 2HH1 ARG 20 -7.737 -13.339 6.431 180 2HH2 ARG 20 1HH1 ARG 20 -8.536 -12.882 7.897 181 H SER 21 HN SER 21 -11.844 -7.421 0.686 182 HA SER 21 HA SER 21 -14.460 -6.356 0.290 183 1HB SER 21 2HB SER 21 -12.900 -5.627 2.769 184 2HB SER 21 3HB SER 21 -13.884 -4.380 1.974 185 HG SER 21 HG SER 21 -14.908 -6.932 2.632 186 H ALA 22 HN ALA 22 -13.570 -5.873 -1.833 187 HA ALA 22 HA ALA 22 -12.746 -3.220 -2.077 188 1HB ALA 22 1HB ALA 22 -10.412 -4.034 -1.550 189 2HB ALA 22 2HB ALA 22 -10.554 -5.172 -2.917 190 3HB ALA 22 3HB ALA 22 -10.542 -3.421 -3.186 191 H LYS 23 HN LYS 23 -12.120 -2.702 -4.465 192 HA LYS 23 HA LYS 23 -12.861 -4.682 -6.416 193 1HB LYS 23 2HB LYS 23 -14.942 -2.986 -5.684 194 2HB LYS 23 3HB LYS 23 -14.189 -2.054 -6.962 195 1HG LYS 23 2HG LYS 23 -15.799 -3.399 -8.063 196 2HG LYS 23 3HG LYS 23 -14.285 -4.250 -8.373 197 1HD LYS 23 2HD LYS 23 -15.703 -6.000 -7.698 198 2HD LYS 23 3HD LYS 23 -14.903 -5.579 -6.162 199 1HE LYS 23 2HE LYS 23 -16.903 -3.890 -5.887 200 2HE LYS 23 3HE LYS 23 -17.686 -4.850 -7.151 201 1HZ LYS 23 1HZ LYS 23 -16.790 -5.833 -4.499 202 2HZ LYS 23 2HZ LYS 23 -18.314 -5.661 -5.042 203 3HZ LYS 23 3HZ LYS 23 -17.380 -6.794 -5.710 204 H ALA 24 HN ALA 24 -12.729 -3.285 -8.672 205 HA ALA 24 HA ALA 24 -10.013 -2.551 -8.856 206 1HB ALA 24 1HB ALA 24 -10.595 -1.926 -11.170 207 2HB ALA 24 2HB ALA 24 -11.388 -3.447 -10.759 208 3HB ALA 24 3HB ALA 24 -12.330 -1.960 -10.769 209 H GLU 25 HN GLU 25 -13.032 -0.572 -8.511 210 HA GLU 25 HA GLU 25 -11.454 1.873 -8.728 211 1HB GLU 25 2HB GLU 25 -14.210 1.207 -9.091 212 2HB GLU 25 3HB GLU 25 -14.163 2.321 -7.756 213 1HG GLU 25 2HG GLU 25 -12.781 2.835 -10.447 214 2HG GLU 25 3HG GLU 25 -14.424 3.349 -10.064 215 H ASP 26 HN ASP 26 -10.464 0.342 -6.785 216 HA ASP 26 HA ASP 26 -11.277 1.853 -4.384 217 1HB ASP 26 2HB ASP 26 -11.373 -0.769 -4.649 218 2HB ASP 26 3HB ASP 26 -9.658 -0.685 -4.224 219 H LYS 27 HN LYS 27 -9.339 2.211 -2.864 220 HA LYS 27 HA LYS 27 -6.994 3.074 -4.501 221 1HB LYS 27 2HB LYS 27 -8.716 4.805 -2.678 222 2HB LYS 27 3HB LYS 27 -7.133 5.239 -3.326 223 1HG LYS 27 2HG LYS 27 -8.317 6.211 -4.946 224 2HG LYS 27 3HG LYS 27 -8.261 4.630 -5.671 225 1HD LYS 27 2HD LYS 27 -10.520 4.224 -5.358 226 2HD LYS 27 3HD LYS 27 -10.655 5.381 -4.000 227 1HE LYS 27 2HE LYS 27 -10.370 7.271 -5.463 228 2HE LYS 27 3HE LYS 27 -9.928 6.249 -6.835 229 1HZ LYS 27 1HZ LYS 27 -12.111 5.514 -7.053 230 2HZ LYS 27 2HZ LYS 27 -12.588 6.179 -5.570 231 3HZ LYS 27 3HZ LYS 27 -12.202 7.133 -6.845 232 H ILE 28 HN ILE 28 -5.054 2.380 -3.609 233 HA ILE 28 HA ILE 28 -4.882 2.314 -0.673 234 HB ILE 28 HB ILE 28 -3.890 -0.032 -2.252 235 1HG1 ILE 28 2HG1 ILE 28 -6.711 -0.214 -1.024 236 2HG1 ILE 28 3HG1 ILE 28 -6.480 0.130 -2.743 237 1HG2 ILE 28 1HG2 ILE 28 -4.465 -1.052 0.093 238 2HG2 ILE 28 2HG2 ILE 28 -3.231 0.170 0.088 239 3HG2 ILE 28 3HG2 ILE 28 -4.889 0.558 0.610 240 1HD1 ILE 28 1HD1 ILE 28 -5.580 -2.342 -1.304 241 2HD1 ILE 28 2HD1 ILE 28 -6.825 -2.182 -2.557 242 3HD1 ILE 28 3HD1 ILE 28 -5.108 -1.913 -2.962 243 H VAL 29 HN VAL 29 -2.650 1.970 0.077 244 HA VAL 29 HA VAL 29 -0.396 2.339 -1.669 245 HB VAL 29 HB VAL 29 -1.263 4.530 0.250 246 1HG1 VAL 29 1HG1 VAL 29 1.523 4.150 -0.964 247 2HG1 VAL 29 2HG1 VAL 29 0.948 5.644 -0.193 248 3HG1 VAL 29 3HG1 VAL 29 1.104 4.199 0.771 249 1HG2 VAL 29 1HG2 VAL 29 -0.733 4.346 -2.702 250 2HG2 VAL 29 2HG2 VAL 29 -2.083 5.096 -1.833 251 3HG2 VAL 29 3HG2 VAL 29 -0.501 5.888 -1.894 252 H LEU 30 HN LEU 30 1.612 1.835 -0.388 253 HA LEU 30 HA LEU 30 1.090 0.550 2.250 254 1HB LEU 30 2HB LEU 30 3.667 -0.052 0.901 255 2HB LEU 30 3HB LEU 30 2.610 -1.105 1.828 256 HG LEU 30 HG LEU 30 2.245 -0.427 -1.102 257 1HD1 LEU 30 1HD1 LEU 30 3.281 -2.933 0.278 258 2HD1 LEU 30 2HD1 LEU 30 2.916 -2.761 -1.454 259 3HD1 LEU 30 3HD1 LEU 30 4.225 -1.815 -0.718 260 1HD2 LEU 30 1HD2 LEU 30 0.860 -2.409 0.730 261 2HD2 LEU 30 2HD2 LEU 30 0.095 -0.989 -0.015 262 3HD2 LEU 30 3HD2 LEU 30 0.658 -2.322 -1.043 263 H ILE 31 HN ILE 31 2.529 0.958 4.015 264 HA ILE 31 HA ILE 31 4.670 2.924 3.524 265 HB ILE 31 HB ILE 31 4.080 4.409 4.955 266 1HG1 ILE 31 2HG1 ILE 31 2.379 2.404 6.418 267 2HG1 ILE 31 3HG1 ILE 31 3.875 3.091 6.916 268 1HG2 ILE 31 1HG2 ILE 31 1.300 3.636 4.044 269 2HG2 ILE 31 2HG2 ILE 31 1.842 5.219 4.588 270 3HG2 ILE 31 3HG2 ILE 31 2.494 4.538 3.113 271 1HD1 ILE 31 1HD1 ILE 31 1.313 4.601 6.735 272 2HD1 ILE 31 2HD1 ILE 31 2.327 4.260 8.160 273 3HD1 ILE 31 3HD1 ILE 31 2.923 5.366 6.891 274 H GLN 32 HN GLN 32 5.892 3.089 5.662 275 HA GLN 32 HA GLN 32 7.646 2.071 6.646 276 1HB GLN 32 2HB GLN 32 5.343 1.244 8.381 277 2HB GLN 32 3HB GLN 32 7.012 1.443 8.917 278 1HG GLN 32 2HG GLN 32 5.987 3.839 7.532 279 2HG GLN 32 3HG GLN 32 4.937 3.390 8.818 280 1HE2 GLN 32 1HE2 GLN 32 7.890 4.896 7.987 281 2HE2 GLN 32 2HE2 GLN 32 8.434 5.352 9.587 282 H ASN 33 HN ASN 33 5.606 -0.546 7.787 283 HA ASN 33 HA ASN 33 7.509 -2.539 6.590 284 1HB ASN 33 2HB ASN 33 5.417 -3.095 8.754 285 2HB ASN 33 3HB ASN 33 6.752 -4.080 8.227 286 1HD2 ASN 33 1HD2 ASN 33 5.855 -1.669 10.575 287 2HD2 ASN 33 2HD2 ASN 33 7.500 -1.208 10.980 288 H GLY 34 HN GLY 34 4.277 -1.328 6.318 289 1HA GLY 34 1HA GLY 34 2.682 -3.353 5.173 290 2HA GLY 34 2HA GLY 34 2.712 -1.647 4.812 291 H VAL 35 HN VAL 35 5.473 -1.521 3.950 292 HA VAL 35 HA VAL 35 5.396 -1.862 1.250 293 HB VAL 35 HB VAL 35 7.805 -2.079 1.275 294 1HG1 VAL 35 1HG1 VAL 35 6.793 0.011 1.336 295 2HG1 VAL 35 2HG1 VAL 35 6.650 0.003 3.123 296 3HG1 VAL 35 3HG1 VAL 35 8.234 0.104 2.344 297 1HG2 VAL 35 1HG2 VAL 35 9.075 -1.742 3.415 298 2HG2 VAL 35 2HG2 VAL 35 7.625 -2.247 4.294 299 3HG2 VAL 35 3HG2 VAL 35 8.432 -3.385 3.190 300 H PHE 36 HN PHE 36 6.025 -4.582 3.554 301 HA PHE 36 HA PHE 36 6.961 -6.593 1.953 302 1HB PHE 36 2HB PHE 36 5.013 -6.361 4.218 303 2HB PHE 36 3HB PHE 36 5.217 -7.914 3.430 304 HD1 PHE 36 HD1 PHE 36 5.971 -9.119 5.270 305 HD2 PHE 36 HD2 PHE 36 8.057 -5.504 4.138 306 HE1 PHE 36 HE1 PHE 36 7.839 -9.740 6.737 307 HE2 PHE 36 HE2 PHE 36 9.921 -6.153 5.615 308 HZ PHE 36 HZ PHE 36 9.817 -8.239 6.959 309 H TRP 37 HN TRP 37 3.595 -5.232 1.905 310 HA TRP 37 HA TRP 37 2.506 -7.461 0.513 311 1HB TRP 37 2HB TRP 37 1.582 -4.596 0.342 312 2HB TRP 37 3HB TRP 37 0.715 -6.009 -0.222 313 HD1 TRP 37 HD1 TRP 37 1.073 -3.846 2.738 314 HE1 TRP 37 HE1 TRP 37 -0.276 -4.735 4.672 315 HE3 TRP 37 HE3 TRP 37 0.141 -8.594 1.120 316 HZ2 TRP 37 HZ2 TRP 37 -2.490 -6.809 4.894 317 HZ3 TRP 37 HZ3 TRP 37 -1.685 -9.935 2.089 318 HH2 TRP 37 HH2 TRP 37 -3.190 -8.922 3.886 319 H ALA 38 HN ALA 38 4.717 -5.030 -0.689 320 HA ALA 38 HA ALA 38 3.983 -5.366 -3.560 321 1HB ALA 38 1HB ALA 38 4.651 -3.070 -2.730 322 2HB ALA 38 2HB ALA 38 6.186 -3.756 -2.147 323 3HB ALA 38 3HB ALA 38 5.813 -3.710 -3.872 324 H LEU 39 HN LEU 39 4.703 -7.673 -1.990 325 HA LEU 39 HA LEU 39 6.394 -9.020 -3.741 326 1HB LEU 39 2HB LEU 39 8.356 -9.355 -2.427 327 2HB LEU 39 3HB LEU 39 8.209 -7.762 -3.124 328 HG LEU 39 HG LEU 39 7.789 -8.351 -0.168 329 1HD1 LEU 39 1HD1 LEU 39 10.081 -7.434 -0.032 330 2HD1 LEU 39 2HD1 LEU 39 10.118 -8.784 -1.165 331 3HD1 LEU 39 3HD1 LEU 39 10.101 -7.120 -1.805 332 1HD2 LEU 39 1HD2 LEU 39 8.279 -5.965 0.207 333 2HD2 LEU 39 2HD2 LEU 39 8.253 -5.667 -1.553 334 3HD2 LEU 39 3HD2 LEU 39 6.797 -6.179 -0.680 335 H GLU 40 HN GLU 40 4.254 -9.725 -3.177 336 HA GLU 40 HA GLU 40 4.260 -12.097 -1.362 337 1HB GLU 40 2HB GLU 40 2.013 -10.142 -1.602 338 2HB GLU 40 3HB GLU 40 1.951 -11.670 -0.702 339 1HG GLU 40 2HG GLU 40 3.745 -9.313 -0.211 340 2HG GLU 40 3HG GLU 40 2.189 -9.555 0.574 341 H GLU 41 HN GLU 41 1.476 -12.490 -2.195 342 HA GLU 41 HA GLU 41 2.025 -13.933 -4.726 343 1HB GLU 41 2HB GLU 41 1.358 -15.987 -3.678 344 2HB GLU 41 3HB GLU 41 2.641 -15.261 -2.698 345 1HG GLU 41 2HG GLU 41 0.671 -14.229 -1.302 346 2HG GLU 41 3HG GLU 41 -0.341 -15.421 -2.108 347 H LEU 42 HN LEU 42 0.399 -11.780 -4.707 348 HA LEU 42 HA LEU 42 -2.020 -12.667 -6.064 349 1HB LEU 42 2HB LEU 42 -1.863 -12.261 -3.195 350 2HB LEU 42 3HB LEU 42 -3.031 -11.104 -3.908 351 HG LEU 42 HG LEU 42 -3.484 -13.858 -4.830 352 1HD1 LEU 42 1HD1 LEU 42 -3.631 -13.392 -1.818 353 2HD1 LEU 42 2HD1 LEU 42 -4.212 -14.819 -2.669 354 3HD1 LEU 42 3HD1 LEU 42 -2.477 -14.416 -2.615 355 1HD2 LEU 42 1HD2 LEU 42 -5.301 -12.235 -3.009 356 2HD2 LEU 42 2HD2 LEU 42 -5.121 -11.862 -4.763 357 3HD2 LEU 42 3HD2 LEU 42 -5.752 -13.430 -4.207 358 H GLU 43 HN GLU 43 -3.444 -10.272 -5.700 359 HA GLU 43 HA GLU 43 -1.875 -7.957 -5.652 360 1HB GLU 43 2HB GLU 43 -2.134 -7.201 -7.960 361 2HB GLU 43 3HB GLU 43 -1.162 -8.665 -7.913 362 1HG GLU 43 2HG GLU 43 -3.193 -10.014 -8.491 363 2HG GLU 43 3HG GLU 43 -4.100 -8.520 -8.605 364 H THR 44 HN THR 44 -3.459 -6.271 -6.696 365 HA THR 44 HA THR 44 -6.327 -6.730 -6.022 366 HB THR 44 HB THR 44 -5.238 -5.318 -4.321 367 HG1 THR 44 HG1 THR 44 -6.782 -3.603 -4.531 368 1HG2 THR 44 1HG2 THR 44 -4.611 -3.158 -4.794 369 2HG2 THR 44 2HG2 THR 44 -3.725 -4.260 -5.885 370 3HG2 THR 44 3HG2 THR 44 -5.046 -3.285 -6.519 371 HA PRO 45 HA PRO 45 -6.865 -4.937 -10.088 372 1HB PRO 45 2HB PRO 45 -9.548 -4.452 -10.111 373 2HB PRO 45 3HB PRO 45 -8.867 -6.063 -10.339 374 1HG PRO 45 2HG PRO 45 -10.129 -4.941 -7.873 375 2HG PRO 45 3HG PRO 45 -10.114 -6.625 -8.474 376 1HD PRO 45 2HD PRO 45 -8.519 -5.315 -6.545 377 2HD PRO 45 3HD PRO 45 -8.250 -6.995 -7.154 378 H ALA 46 HN ALA 46 -7.118 -3.437 -7.053 379 HA ALA 46 HA ALA 46 -8.051 -0.807 -7.774 380 1HB ALA 46 1HB ALA 46 -8.239 -1.895 -5.517 381 2HB ALA 46 2HB ALA 46 -6.471 -1.761 -5.360 382 3HB ALA 46 3HB ALA 46 -7.441 -0.315 -5.470 383 H LYS 47 HN LYS 47 -6.444 1.163 -7.054 384 HA LYS 47 HA LYS 47 -3.970 0.889 -8.573 385 1HB LYS 47 2HB LYS 47 -3.807 3.204 -8.282 386 2HB LYS 47 3HB LYS 47 -5.526 2.921 -8.558 387 1HG LYS 47 2HG LYS 47 -5.723 2.829 -6.025 388 2HG LYS 47 3HG LYS 47 -4.118 3.399 -5.923 389 1HD LYS 47 2HD LYS 47 -6.603 4.782 -6.988 390 2HD LYS 47 3HD LYS 47 -5.763 5.026 -5.419 391 1HE LYS 47 2HE LYS 47 -3.900 5.896 -6.369 392 2HE LYS 47 3HE LYS 47 -4.514 5.575 -8.009 393 1HZ LYS 47 1HZ LYS 47 -6.287 7.230 -7.518 394 2HZ LYS 47 2HZ LYS 47 -5.678 7.492 -6.030 395 3HZ LYS 47 3HZ LYS 47 -4.828 7.935 -7.374 396 H VAL 48 HN VAL 48 -1.824 0.833 -7.513 397 HA VAL 48 HA VAL 48 -1.815 0.637 -4.598 398 HB VAL 48 HB VAL 48 -0.609 -1.456 -6.484 399 1HG1 VAL 48 1HG1 VAL 48 -0.237 -2.705 -4.322 400 2HG1 VAL 48 2HG1 VAL 48 0.725 -1.219 -4.455 401 3HG1 VAL 48 3HG1 VAL 48 -0.740 -1.242 -3.444 402 1HG2 VAL 48 1HG2 VAL 48 -2.963 -1.923 -6.480 403 2HG2 VAL 48 2HG2 VAL 48 -2.242 -3.000 -5.288 404 3HG2 VAL 48 3HG2 VAL 48 -3.108 -1.535 -4.756 405 H TYR 49 HN TYR 49 -0.014 1.420 -3.813 406 HA TYR 49 HA TYR 49 2.375 1.913 -5.452 407 1HB TYR 49 2HB TYR 49 1.083 4.160 -3.852 408 2HB TYR 49 3HB TYR 49 2.509 4.243 -4.843 409 HD1 TYR 49 HD1 TYR 49 -1.224 4.134 -4.870 410 HD2 TYR 49 HD2 TYR 49 2.333 4.435 -7.335 411 HE1 TYR 49 HE1 TYR 49 -2.601 4.637 -6.771 412 HE2 TYR 49 HE2 TYR 49 0.923 4.949 -9.265 413 HH TYR 49 HH TYR 49 -1.273 4.690 -10.066 414 H ALA 50 HN ALA 50 4.220 2.524 -3.890 415 HA ALA 50 HA ALA 50 3.603 1.988 -1.001 416 1HB ALA 50 1HB ALA 50 6.082 1.026 -2.424 417 2HB ALA 50 2HB ALA 50 5.641 0.788 -0.734 418 3HB ALA 50 3HB ALA 50 4.713 -0.013 -2.018 419 H ILE 51 HN ILE 51 4.900 3.268 0.327 420 HA ILE 51 HA ILE 51 6.104 5.771 -0.740 421 HB ILE 51 HB ILE 51 5.741 4.638 2.101 422 1HG1 ILE 51 2HG1 ILE 51 3.646 5.296 1.385 423 2HG1 ILE 51 3HG1 ILE 51 4.316 6.569 2.413 424 1HG2 ILE 51 1HG2 ILE 51 7.810 6.094 1.868 425 2HG2 ILE 51 2HG2 ILE 51 6.771 7.410 1.329 426 3HG2 ILE 51 3HG2 ILE 51 6.553 6.680 2.939 427 1HD1 ILE 51 1HD1 ILE 51 4.981 7.649 0.063 428 2HD1 ILE 51 2HD1 ILE 51 3.704 6.576 -0.541 429 3HD1 ILE 51 3HD1 ILE 51 3.351 7.780 0.729 430 H LYS 52 HN LYS 52 7.805 5.675 -1.768 431 HA LYS 52 HA LYS 52 9.737 3.709 -1.694 432 1HB LYS 52 2HB LYS 52 9.454 5.439 -3.482 433 2HB LYS 52 3HB LYS 52 10.155 6.657 -2.409 434 1HG LYS 52 2HG LYS 52 12.278 5.581 -2.401 435 2HG LYS 52 3HG LYS 52 11.624 4.064 -3.029 436 1HD LYS 52 2HD LYS 52 12.793 4.990 -4.818 437 2HD LYS 52 3HD LYS 52 11.082 5.285 -5.172 438 1HE LYS 52 2HE LYS 52 11.381 7.626 -4.269 439 2HE LYS 52 3HE LYS 52 13.117 7.297 -4.104 440 1HZ LYS 52 1HZ LYS 52 13.143 6.913 -6.540 441 2HZ LYS 52 2HZ LYS 52 11.539 7.283 -6.594 442 3HZ LYS 52 3HZ LYS 52 12.635 8.424 -6.119 443 H ASP 53 HN ASP 53 9.975 6.882 -0.029 444 HA ASP 53 HA ASP 53 12.329 6.517 1.323 445 1HB ASP 53 2HB ASP 53 9.705 7.795 2.171 446 2HB ASP 53 3HB ASP 53 11.103 7.764 3.235 447 H ASP 54 HN ASP 54 9.092 5.341 2.567 448 HA ASP 54 HA ASP 54 10.167 4.119 4.859 449 1HB ASP 54 2HB ASP 54 7.642 3.940 3.247 450 2HB ASP 54 3HB ASP 54 7.984 2.608 4.340 451 H PHE 55 HN PHE 55 9.664 2.772 1.601 452 HA PHE 55 HA PHE 55 10.406 0.077 2.176 453 1HB PHE 55 2HB PHE 55 9.279 1.068 0.085 454 2HB PHE 55 3HB PHE 55 10.873 1.608 -0.418 455 HD1 PHE 55 HD1 PHE 55 9.737 -1.681 1.039 456 HD2 PHE 55 HD2 PHE 55 11.503 0.346 -2.303 457 HE1 PHE 55 HE1 PHE 55 9.857 -3.826 -0.165 458 HE2 PHE 55 HE2 PHE 55 11.714 -1.820 -3.476 459 HZ PHE 55 HZ PHE 55 10.898 -3.914 -2.409 460 H LEU 56 HN LEU 56 12.298 2.876 1.109 461 HA LEU 56 HA LEU 56 14.865 1.572 1.049 462 1HB LEU 56 2HB LEU 56 14.067 4.490 1.441 463 2HB LEU 56 3HB LEU 56 15.690 3.950 1.091 464 HG LEU 56 HG LEU 56 13.287 3.538 -0.742 465 1HD1 LEU 56 1HD1 LEU 56 14.498 5.280 -2.152 466 2HD1 LEU 56 2HD1 LEU 56 13.944 5.918 -0.591 467 3HD1 LEU 56 3HD1 LEU 56 15.651 5.499 -0.828 468 1HD2 LEU 56 1HD2 LEU 56 14.962 2.951 -2.474 469 2HD2 LEU 56 2HD2 LEU 56 16.236 2.989 -1.237 470 3HD2 LEU 56 3HD2 LEU 56 14.921 1.789 -1.158 471 H ALA 57 HN ALA 57 13.026 3.283 3.556 472 HA ALA 57 HA ALA 57 15.086 3.026 5.545 473 1HB ALA 57 1HB ALA 57 13.184 4.730 5.596 474 2HB ALA 57 2HB ALA 57 12.092 3.399 5.998 475 3HB ALA 57 3HB ALA 57 13.400 3.822 7.106 476 H ARG 58 HN ARG 58 13.092 0.716 4.079 477 HA ARG 58 HA ARG 58 13.437 -1.131 6.441 478 1HB ARG 58 2HB ARG 58 11.107 -0.547 4.909 479 2HB ARG 58 3HB ARG 58 11.617 -2.055 4.294 480 1HG ARG 58 2HG ARG 58 11.529 -1.882 7.300 481 2HG ARG 58 3HG ARG 58 10.022 -1.570 6.474 482 1HD ARG 58 2HD ARG 58 9.745 -3.735 6.816 483 2HD ARG 58 3HD ARG 58 10.403 -3.804 5.204 484 HE ARG 58 HE ARG 58 11.707 -4.455 7.817 485 1HH1 ARG 58 2HH2 ARG 58 12.473 -4.520 4.334 486 2HH1 ARG 58 1HH2 ARG 58 13.248 -6.029 4.396 487 1HH2 ARG 58 2HH1 ARG 58 12.797 -6.298 7.950 488 2HH2 ARG 58 1HH1 ARG 58 13.613 -7.021 6.596 489 H GLY 59 HN GLY 59 15.453 -0.207 4.546 490 1HA GLY 59 1HA GLY 59 17.205 -1.019 3.358 491 2HA GLY 59 2HA GLY 59 17.004 -2.443 4.388 492 H TYR 60 HN TYR 60 15.335 -1.017 1.433 493 HA TYR 60 HA TYR 60 15.752 -3.521 -0.013 494 1HB TYR 60 2HB TYR 60 13.410 -1.563 -0.009 495 2HB TYR 60 3HB TYR 60 13.705 -2.745 -1.250 496 HD1 TYR 60 HD1 TYR 60 12.362 -2.247 2.076 497 HD2 TYR 60 HD2 TYR 60 13.232 -5.124 -0.986 498 HE1 TYR 60 HE1 TYR 60 10.825 -3.873 3.158 499 HE2 TYR 60 HE2 TYR 60 12.073 -6.866 0.295 500 HH TYR 60 HH TYR 60 10.770 -7.303 2.293 501 H SER 61 HN SER 61 16.005 -3.096 -2.224 502 HA SER 61 HA SER 61 17.096 -0.493 -3.139 503 1HB SER 61 2HB SER 61 18.122 -2.740 -3.754 504 2HB SER 61 3HB SER 61 16.574 -3.187 -4.486 505 HG SER 61 HG SER 61 17.883 -2.515 -6.082 506 H GLU 62 HN GLU 62 15.976 0.302 -5.187 507 HA GLU 62 HA GLU 62 13.190 0.588 -4.860 508 1HB GLU 62 2HB GLU 62 14.850 0.904 -7.415 509 2HB GLU 62 3HB GLU 62 13.258 1.586 -7.077 510 1HG GLU 62 2HG GLU 62 14.454 2.792 -5.067 511 2HG GLU 62 3HG GLU 62 15.955 2.356 -5.907 512 H GLU 63 HN GLU 63 15.158 -1.353 -7.091 513 HA GLU 63 HA GLU 63 12.919 -2.429 -8.475 514 1HB GLU 63 2HB GLU 63 15.458 -1.926 -9.103 515 2HB GLU 63 3HB GLU 63 15.697 -3.614 -8.673 516 1HG GLU 63 2HG GLU 63 14.150 -4.339 -10.396 517 2HG GLU 63 3HG GLU 63 13.503 -2.700 -10.588 518 H ASP 64 HN ASP 64 13.733 -3.174 -5.456 519 HA ASP 64 HA ASP 64 13.499 -6.100 -5.454 520 1HB ASP 64 2HB ASP 64 13.364 -3.929 -3.335 521 2HB ASP 64 3HB ASP 64 12.827 -5.557 -3.001 522 H SER 65 HN SER 65 11.340 -3.280 -5.527 523 HA SER 65 HA SER 65 9.215 -4.745 -4.200 524 1HB SER 65 2HB SER 65 8.852 -2.674 -3.496 525 2HB SER 65 3HB SER 65 9.749 -1.912 -4.798 526 HG SER 65 HG SER 65 7.908 -1.438 -5.696 527 H LYS 66 HN LYS 66 7.087 -5.048 -5.277 528 HA LYS 66 HA LYS 66 7.151 -4.987 -8.268 529 1HB LYS 66 2HB LYS 66 5.807 -6.927 -8.306 530 2HB LYS 66 3HB LYS 66 7.178 -7.219 -7.218 531 1HG LYS 66 2HG LYS 66 5.979 -7.582 -5.431 532 2HG LYS 66 3HG LYS 66 4.783 -6.303 -5.774 533 1HD LYS 66 2HD LYS 66 3.782 -7.777 -7.465 534 2HD LYS 66 3HD LYS 66 4.914 -9.071 -7.034 535 1HE LYS 66 2HE LYS 66 3.829 -9.538 -5.006 536 2HE LYS 66 3HE LYS 66 3.338 -7.880 -4.743 537 1HZ LYS 66 1HZ LYS 66 1.432 -9.249 -5.412 538 2HZ LYS 66 2HZ LYS 66 1.737 -8.127 -6.584 539 3HZ LYS 66 3HZ LYS 66 2.176 -9.652 -6.825 540 H VAL 67 HN VAL 67 6.483 -2.701 -6.676 541 HA VAL 67 HA VAL 67 4.062 -2.029 -8.160 542 HB VAL 67 HB VAL 67 2.674 -1.340 -6.405 543 1HG1 VAL 67 1HG1 VAL 67 2.355 -3.088 -4.766 544 2HG1 VAL 67 2HG1 VAL 67 2.540 -3.665 -6.427 545 3HG1 VAL 67 3HG1 VAL 67 3.882 -3.834 -5.276 546 1HG2 VAL 67 1HG2 VAL 67 5.002 -1.342 -4.475 547 2HG2 VAL 67 2HG2 VAL 67 4.144 0.053 -5.138 548 3HG2 VAL 67 3HG2 VAL 67 3.284 -1.025 -4.057 549 HA PRO 68 HA PRO 68 6.278 1.685 -8.671 550 1HB PRO 68 2HB PRO 68 4.329 3.671 -8.638 551 2HB PRO 68 3HB PRO 68 4.609 2.533 -9.978 552 1HG PRO 68 2HG PRO 68 2.499 2.372 -7.887 553 2HG PRO 68 3HG PRO 68 2.390 1.995 -9.634 554 1HD PRO 68 2HD PRO 68 2.649 0.217 -7.607 555 2HD PRO 68 3HD PRO 68 3.232 -0.146 -9.245 556 H LEU 69 HN LEU 69 7.570 2.744 -7.424 557 HA LEU 69 HA LEU 69 6.889 3.139 -4.563 558 1HB LEU 69 2HB LEU 69 9.512 3.197 -6.118 559 2HB LEU 69 3HB LEU 69 9.370 3.353 -4.360 560 HG LEU 69 HG LEU 69 8.857 0.845 -5.949 561 1HD1 LEU 69 1HD1 LEU 69 10.891 0.131 -4.671 562 2HD1 LEU 69 2HD1 LEU 69 11.209 1.446 -5.795 563 3HD1 LEU 69 3HD1 LEU 69 11.073 1.786 -4.059 564 1HD2 LEU 69 1HD2 LEU 69 8.520 1.536 -2.999 565 2HD2 LEU 69 2HD2 LEU 69 7.353 0.787 -4.132 566 3HD2 LEU 69 3HD2 LEU 69 8.754 -0.121 -3.567 567 H ILE 70 HN ILE 70 5.897 4.932 -4.257 568 HA ILE 70 HA ILE 70 6.546 7.322 -5.868 569 HB ILE 70 HB ILE 70 4.414 8.087 -5.355 570 1HG1 ILE 70 2HG1 ILE 70 3.924 5.748 -3.486 571 2HG1 ILE 70 3HG1 ILE 70 4.212 7.422 -2.998 572 1HG2 ILE 70 1HG2 ILE 70 4.149 5.144 -6.066 573 2HG2 ILE 70 2HG2 ILE 70 3.051 6.477 -6.508 574 3HG2 ILE 70 3HG2 ILE 70 4.681 6.435 -7.154 575 1HD1 ILE 70 1HD1 ILE 70 1.828 6.850 -2.894 576 2HD1 ILE 70 2HD1 ILE 70 2.135 8.146 -4.048 577 3HD1 ILE 70 3HD1 ILE 70 1.811 6.521 -4.628 578 H THR 71 HN THR 71 6.303 9.495 -4.515 579 HA THR 71 HA THR 71 7.972 9.234 -2.130 580 HB THR 71 HB THR 71 7.644 11.736 -2.163 581 HG1 THR 71 HG1 THR 71 6.570 12.666 -3.792 582 1HG2 THR 71 1HG2 THR 71 9.106 12.102 -4.094 583 2HG2 THR 71 2HG2 THR 71 9.607 10.640 -3.238 584 3HG2 THR 71 3HG2 THR 71 8.694 10.514 -4.758 585 H TYR 72 HN TYR 72 7.213 10.480 -0.116 586 HA TYR 72 HA TYR 72 4.628 9.669 0.838 587 1HB TYR 72 2HB TYR 72 6.813 11.551 1.712 588 2HB TYR 72 3HB TYR 72 5.209 11.816 2.364 589 HD1 TYR 72 HD1 TYR 72 8.151 9.662 2.543 590 HD2 TYR 72 HD2 TYR 72 3.998 10.018 3.592 591 HE1 TYR 72 HE1 TYR 72 8.529 8.173 4.515 592 HE2 TYR 72 HE2 TYR 72 4.330 8.446 5.481 593 HH TYR 72 HH TYR 72 6.566 6.436 5.896 594 H SER 73 HN SER 73 5.727 12.787 -0.699 595 HA SER 73 HA SER 73 3.247 14.052 -0.357 596 1HB SER 73 2HB SER 73 4.004 15.502 -2.195 597 2HB SER 73 3HB SER 73 5.211 15.275 -0.939 598 HG SER 73 HG SER 73 5.159 14.405 -3.565 599 H GLU 74 HN GLU 74 4.385 11.923 -3.030 600 HA GLU 74 HA GLU 74 2.112 12.316 -4.686 601 1HB GLU 74 2HB GLU 74 4.180 10.147 -4.514 602 2HB GLU 74 3HB GLU 74 2.656 9.836 -5.381 603 1HG GLU 74 2HG GLU 74 3.078 12.038 -6.647 604 2HG GLU 74 3HG GLU 74 4.728 11.930 -6.050 605 H PHE 75 HN PHE 75 2.582 10.168 -1.855 606 HA PHE 75 HA PHE 75 0.019 8.902 -2.098 607 1HB PHE 75 2HB PHE 75 1.625 7.913 -0.677 608 2HB PHE 75 3HB PHE 75 1.886 9.380 0.209 609 HD1 PHE 75 HD1 PHE 75 -1.246 7.427 -0.586 610 HD2 PHE 75 HD2 PHE 75 1.204 9.323 2.403 611 HE1 PHE 75 HE1 PHE 75 -2.753 6.587 1.184 612 HE2 PHE 75 HE2 PHE 75 -0.403 8.579 4.157 613 HZ PHE 75 HZ PHE 75 -2.323 7.148 3.554 614 H ILE 76 HN ILE 76 1.007 11.933 -0.379 615 HA ILE 76 HA ILE 76 -1.458 12.346 0.928 616 HB ILE 76 HB ILE 76 0.433 14.493 -0.144 617 1HG1 ILE 76 2HG1 ILE 76 1.756 13.202 1.295 618 2HG1 ILE 76 3HG1 ILE 76 1.266 14.581 2.232 619 1HG2 ILE 76 1HG2 ILE 76 -1.778 15.460 0.438 620 2HG2 ILE 76 2HG2 ILE 76 -1.696 14.687 2.031 621 3HG2 ILE 76 3HG2 ILE 76 -0.542 15.960 1.594 622 1HD1 ILE 76 1HD1 ILE 76 0.117 11.755 2.454 623 2HD1 ILE 76 2HD1 ILE 76 1.208 12.549 3.584 624 3HD1 ILE 76 3HD1 ILE 76 -0.455 13.159 3.388 625 H ASP 77 HN ASP 77 -0.494 13.185 -2.350 626 HA ASP 77 HA ASP 77 -2.732 14.729 -3.209 627 1HB ASP 77 2HB ASP 77 -0.541 14.512 -4.259 628 2HB ASP 77 3HB ASP 77 -0.835 12.853 -4.677 629 H LEU 78 HN LEU 78 -2.186 11.234 -2.860 630 HA LEU 78 HA LEU 78 -4.500 10.583 -4.438 631 1HB LEU 78 2HB LEU 78 -3.064 8.748 -2.491 632 2HB LEU 78 3HB LEU 78 -4.159 8.267 -3.776 633 HG LEU 78 HG LEU 78 -1.392 9.376 -4.010 634 1HD1 LEU 78 1HD1 LEU 78 -2.494 6.817 -5.127 635 2HD1 LEU 78 2HD1 LEU 78 -0.795 7.335 -5.051 636 3HD1 LEU 78 3HD1 LEU 78 -1.682 6.968 -3.560 637 1HD2 LEU 78 1HD2 LEU 78 -1.589 9.172 -6.504 638 2HD2 LEU 78 2HD2 LEU 78 -3.348 8.951 -6.305 639 3HD2 LEU 78 3HD2 LEU 78 -2.565 10.473 -5.835 640 H LEU 79 HN LEU 79 -4.022 11.566 -1.166 641 HA LEU 79 HA LEU 79 -6.476 10.383 -0.075 642 1HB LEU 79 2HB LEU 79 -4.630 12.441 1.146 643 2HB LEU 79 3HB LEU 79 -5.978 11.634 1.930 644 HG LEU 79 HG LEU 79 -3.400 10.354 0.922 645 1HD1 LEU 79 1HD1 LEU 79 -3.183 11.701 2.984 646 2HD1 LEU 79 2HD1 LEU 79 -4.447 10.718 3.751 647 3HD1 LEU 79 3HD1 LEU 79 -2.907 9.979 3.269 648 1HD2 LEU 79 1HD2 LEU 79 -4.335 8.317 2.193 649 2HD2 LEU 79 2HD2 LEU 79 -5.920 9.119 2.069 650 3HD2 LEU 79 3HD2 LEU 79 -5.020 8.673 0.610 651 H GLU 80 HN GLU 80 -5.643 13.776 0.240 652 HA GLU 80 HA GLU 80 -6.816 15.660 -0.081 653 1HB GLU 80 2HB GLU 80 -6.629 14.368 -2.815 654 2HB GLU 80 3HB GLU 80 -7.150 16.042 -2.582 655 1HG GLU 80 2HG GLU 80 -4.551 14.914 -1.613 656 2HG GLU 80 3HG GLU 80 -4.726 15.898 -3.073 657 H GLY 81 HN GLY 81 -8.634 13.772 0.982 658 1HA GLY 81 1HA GLY 81 -10.913 14.827 1.448 659 2HA GLY 81 2HA GLY 81 -11.228 14.601 -0.270 660 H GLU 82 HN GLU 82 -9.323 12.068 1.243 661 HA GLU 82 HA GLU 82 -11.643 10.265 1.018 662 1HB GLU 82 2HB GLU 82 -9.116 10.056 -0.650 663 2HB GLU 82 3HB GLU 82 -10.342 8.796 -0.516 664 1HG GLU 82 2HG GLU 82 -10.831 11.594 -1.634 665 2HG GLU 82 3HG GLU 82 -10.631 10.133 -2.581 666 H GLU 83 HN GLU 83 -10.895 10.910 3.296 667 HA GLU 83 HA GLU 83 -8.530 9.882 4.346 668 1HB GLU 83 2HB GLU 83 -9.496 10.777 6.498 669 2HB GLU 83 3HB GLU 83 -9.426 11.902 5.146 670 1HG GLU 83 2HG GLU 83 -11.780 11.524 4.647 671 2HG GLU 83 3HG GLU 83 -11.913 10.360 5.961 672 H LYS 84 HN LYS 84 -9.706 7.632 3.310 673 HA LYS 84 HA LYS 84 -10.238 5.946 5.759 674 1HB LYS 84 2HB LYS 84 -12.215 5.058 4.793 675 2HB LYS 84 3HB LYS 84 -12.290 6.811 4.608 676 1HG LYS 84 2HG LYS 84 -11.055 5.991 2.208 677 2HG LYS 84 3HG LYS 84 -12.156 4.659 2.562 678 1HD LYS 84 2HD LYS 84 -13.199 6.198 1.101 679 2HD LYS 84 3HD LYS 84 -14.036 6.266 2.667 680 1HE LYS 84 2HE LYS 84 -12.967 8.351 3.225 681 2HE LYS 84 3HE LYS 84 -11.774 8.168 1.937 682 1HZ LYS 84 1HZ LYS 84 -14.664 8.336 1.335 683 2HZ LYS 84 2HZ LYS 84 -13.797 9.708 1.478 684 3HZ LYS 84 3HZ LYS 84 -13.419 8.630 0.311 685 H PHE 85 HN PHE 85 -7.775 6.089 3.977 686 HA PHE 85 HA PHE 85 -7.393 3.218 3.950 687 1HB PHE 85 2HB PHE 85 -6.872 2.914 1.646 688 2HB PHE 85 3HB PHE 85 -8.453 3.626 1.720 689 HD1 PHE 85 HD1 PHE 85 -5.086 3.976 0.485 690 HD2 PHE 85 HD2 PHE 85 -8.752 6.154 1.121 691 HE1 PHE 85 HE1 PHE 85 -4.330 5.711 -1.127 692 HE2 PHE 85 HE2 PHE 85 -8.019 7.839 -0.540 693 HZ PHE 85 HZ PHE 85 -5.834 7.606 -1.681 694 H ILE 86 HN ILE 86 -6.438 5.133 5.493 695 HA ILE 86 HA ILE 86 -4.009 6.278 4.514 696 HB ILE 86 HB ILE 86 -5.048 6.336 7.338 697 1HG1 ILE 86 2HG1 ILE 86 -7.129 6.721 6.189 698 2HG1 ILE 86 3HG1 ILE 86 -6.560 8.272 6.697 699 1HG2 ILE 86 1HG2 ILE 86 -3.041 7.673 6.893 700 2HG2 ILE 86 2HG2 ILE 86 -3.784 8.340 5.408 701 3HG2 ILE 86 3HG2 ILE 86 -4.381 8.803 7.021 702 1HD1 ILE 86 1HD1 ILE 86 -5.883 7.465 3.836 703 2HD1 ILE 86 2HD1 ILE 86 -7.484 8.030 4.197 704 3HD1 ILE 86 3HD1 ILE 86 -6.101 9.072 4.532 705 H GLY 87 HN GLY 87 -2.119 6.206 6.585 706 1HA GLY 87 1HA GLY 87 -2.464 4.387 8.394 707 2HA GLY 87 2HA GLY 87 -1.341 3.547 7.351 Start of MODEL 7 1 1H MET 1 HN MET 1 16.573 -0.620 -9.750 2 HA MET 1 HA MET 1 13.957 -1.549 -10.720 3 1HB MET 1 2HB MET 1 15.886 -3.227 -10.195 4 2HB MET 1 3HB MET 1 15.500 -2.895 -8.496 5 1HG MET 1 2HG MET 1 14.229 -4.808 -9.181 6 2HG MET 1 3HG MET 1 13.080 -3.470 -9.071 7 1HE MET 1 1HE MET 1 11.807 -5.828 -11.989 8 2HE MET 1 2HE MET 1 12.547 -6.226 -10.427 9 3HE MET 1 3HE MET 1 11.298 -4.965 -10.520 10 H ALA 2 HN ALA 2 12.255 -0.567 -9.824 11 HA ALA 2 HA ALA 2 12.130 -0.061 -7.002 12 1HB ALA 2 1HB ALA 2 11.718 2.177 -9.051 13 2HB ALA 2 2HB ALA 2 11.365 2.285 -7.315 14 3HB ALA 2 3HB ALA 2 13.040 2.103 -7.858 15 H LEU 3 HN LEU 3 9.767 0.645 -6.578 16 HA LEU 3 HA LEU 3 7.892 -0.547 -8.551 17 1HB LEU 3 2HB LEU 3 8.069 -1.082 -5.557 18 2HB LEU 3 3HB LEU 3 6.743 -1.604 -6.586 19 HG LEU 3 HG LEU 3 9.633 -2.427 -7.101 20 1HD1 LEU 3 1HD1 LEU 3 7.633 -4.051 -5.519 21 2HD1 LEU 3 2HD1 LEU 3 9.293 -4.483 -5.968 22 3HD1 LEU 3 3HD1 LEU 3 9.022 -3.157 -4.838 23 1HD2 LEU 3 1HD2 LEU 3 6.986 -3.650 -7.985 24 2HD2 LEU 3 2HD2 LEU 3 8.146 -2.754 -9.005 25 3HD2 LEU 3 3HD2 LEU 3 8.601 -4.313 -8.319 26 H VAL 4 HN VAL 4 7.473 1.552 -9.192 27 HA VAL 4 HA VAL 4 6.160 3.338 -7.214 28 HB VAL 4 HB VAL 4 7.535 3.988 -9.845 29 1HG1 VAL 4 1HG1 VAL 4 5.580 5.540 -8.732 30 2HG1 VAL 4 2HG1 VAL 4 6.988 6.125 -7.825 31 3HG1 VAL 4 3HG1 VAL 4 6.999 6.189 -9.581 32 1HG2 VAL 4 1HG2 VAL 4 9.218 3.357 -8.187 33 2HG2 VAL 4 2HG2 VAL 4 9.232 5.111 -8.350 34 3HG2 VAL 4 3HG2 VAL 4 8.442 4.363 -6.942 35 H LEU 5 HN LEU 5 4.645 1.276 -7.898 36 HA LEU 5 HA LEU 5 2.466 2.590 -9.012 37 1HB LEU 5 2HB LEU 5 1.889 0.899 -10.802 38 2HB LEU 5 3HB LEU 5 3.071 2.119 -11.198 39 HG LEU 5 HG LEU 5 4.397 -0.306 -10.143 40 1HD1 LEU 5 1HD1 LEU 5 2.395 -1.435 -11.092 41 2HD1 LEU 5 2HD1 LEU 5 2.737 -0.682 -12.669 42 3HD1 LEU 5 3HD1 LEU 5 3.869 -1.840 -11.954 43 1HD2 LEU 5 1HD2 LEU 5 5.737 -0.090 -12.133 44 2HD2 LEU 5 2HD2 LEU 5 4.562 1.021 -12.873 45 3HD2 LEU 5 3HD2 LEU 5 5.495 1.511 -11.445 46 H VAL 6 HN VAL 6 0.933 1.937 -7.615 47 HA VAL 6 HA VAL 6 0.790 -0.927 -6.873 48 HB VAL 6 HB VAL 6 1.828 0.193 -5.094 49 1HG1 VAL 6 1HG1 VAL 6 -0.407 2.218 -5.248 50 2HG1 VAL 6 2HG1 VAL 6 0.656 2.064 -3.832 51 3HG1 VAL 6 3HG1 VAL 6 1.341 2.494 -5.390 52 1HG2 VAL 6 1HG2 VAL 6 0.423 -0.289 -3.251 53 2HG2 VAL 6 2HG2 VAL 6 -1.027 -0.185 -4.173 54 3HG2 VAL 6 3HG2 VAL 6 0.122 -1.515 -4.493 55 H LYS 7 HN LYS 7 -0.533 -0.091 -9.044 56 HA LYS 7 HA LYS 7 -3.355 0.171 -8.077 57 1HB LYS 7 2HB LYS 7 -3.931 1.611 -9.890 58 2HB LYS 7 3HB LYS 7 -2.697 2.295 -8.862 59 1HG LYS 7 2HG LYS 7 -1.682 2.898 -10.722 60 2HG LYS 7 3HG LYS 7 -1.121 1.228 -10.870 61 1HD LYS 7 2HD LYS 7 -2.944 0.695 -12.394 62 2HD LYS 7 3HD LYS 7 -3.764 2.224 -12.015 63 1HE LYS 7 2HE LYS 7 -1.885 3.492 -12.987 64 2HE LYS 7 3HE LYS 7 -1.093 1.970 -13.428 65 1HZ LYS 7 1HZ LYS 7 -3.793 2.736 -14.373 66 2HZ LYS 7 2HZ LYS 7 -2.414 2.965 -15.254 67 3HZ LYS 7 3HZ LYS 7 -2.902 1.456 -14.860 68 H TYR 8 HN TYR 8 -1.709 -2.270 -8.810 69 HA TYR 8 HA TYR 8 -3.875 -3.397 -10.538 70 1HB TYR 8 2HB TYR 8 -1.332 -2.790 -11.515 71 2HB TYR 8 3HB TYR 8 -1.111 -4.438 -11.037 72 HD1 TYR 8 HD1 TYR 8 -3.568 -5.861 -11.832 73 HD2 TYR 8 HD2 TYR 8 -1.536 -2.598 -13.782 74 HE1 TYR 8 HE1 TYR 8 -4.481 -6.583 -13.998 75 HE2 TYR 8 HE2 TYR 8 -2.530 -3.232 -15.932 76 HH TYR 8 HH TYR 8 -3.679 -4.921 -17.077 77 H GLY 9 HN GLY 9 -3.504 -3.406 -7.674 78 1HA GLY 9 1HA GLY 9 -3.475 -4.839 -5.860 79 2HA GLY 9 2HA GLY 9 -3.641 -6.192 -6.939 80 H THR 10 HN THR 10 -1.870 -7.209 -7.493 81 HA THR 10 HA THR 10 -0.054 -7.088 -5.331 82 HB THR 10 HB THR 10 0.524 -9.456 -6.541 83 HG1 THR 10 HG1 THR 10 -1.351 -10.176 -7.535 84 1HG2 THR 10 1HG2 THR 10 -1.092 -10.415 -5.000 85 2HG2 THR 10 2HG2 THR 10 -0.383 -9.003 -4.179 86 3HG2 THR 10 3HG2 THR 10 -1.968 -8.892 -4.908 87 H ASP 11 HN ASP 11 0.909 -5.093 -7.159 88 HA ASP 11 HA ASP 11 3.495 -6.363 -8.026 89 1HB ASP 11 2HB ASP 11 1.784 -5.713 -9.775 90 2HB ASP 11 3HB ASP 11 2.135 -4.037 -9.381 91 H HIS 12 HN HIS 12 3.296 -5.306 -5.411 92 HA HIS 12 HA HIS 12 5.575 -3.583 -5.354 93 1HB HIS 12 2HB HIS 12 4.719 -1.526 -4.861 94 2HB HIS 12 3HB HIS 12 3.337 -2.063 -5.776 95 HD1 HIS 12 HD1 HIS 12 2.062 -3.934 -3.345 96 HD2 HIS 12 HD2 HIS 12 3.608 -0.028 -3.015 97 HE1 HIS 12 HE1 HIS 12 1.100 -2.964 -1.270 98 HA PRO 13 HA PRO 13 5.875 -5.578 -1.493 99 1HB PRO 13 2HB PRO 13 7.212 -3.849 0.170 100 2HB PRO 13 3HB PRO 13 7.932 -4.561 -1.298 101 1HG PRO 13 2HG PRO 13 6.792 -1.796 -0.905 102 2HG PRO 13 3HG PRO 13 8.283 -2.279 -1.774 103 1HD PRO 13 2HD PRO 13 5.774 -1.797 -2.913 104 2HD PRO 13 3HD PRO 13 7.080 -2.729 -3.698 105 H VAL 14 HN VAL 14 5.313 -5.647 0.773 106 HA VAL 14 HA VAL 14 4.416 -4.133 2.590 107 HB VAL 14 HB VAL 14 2.159 -4.537 0.615 108 1HG1 VAL 14 1HG1 VAL 14 1.140 -5.766 2.358 109 2HG1 VAL 14 2HG1 VAL 14 1.644 -4.594 3.601 110 3HG1 VAL 14 3HG1 VAL 14 0.424 -4.171 2.381 111 1HG2 VAL 14 1HG2 VAL 14 1.952 -2.294 0.766 112 2HG2 VAL 14 2HG2 VAL 14 1.876 -2.314 2.515 113 3HG2 VAL 14 3HG2 VAL 14 3.433 -2.271 1.697 114 H GLU 15 HN GLU 15 3.342 -6.957 0.809 115 HA GLU 15 HA GLU 15 3.998 -8.775 3.124 116 1HB GLU 15 2HB GLU 15 1.205 -8.023 2.198 117 2HB GLU 15 3HB GLU 15 1.534 -9.608 2.858 118 1HG GLU 15 2HG GLU 15 2.864 -8.239 4.733 119 2HG GLU 15 3HG GLU 15 1.856 -6.916 4.207 120 H LYS 16 HN LYS 16 5.115 -8.380 0.530 121 HA LYS 16 HA LYS 16 5.885 -11.027 0.374 122 1HB LYS 16 2HB LYS 16 3.622 -11.132 -1.015 123 2HB LYS 16 3HB LYS 16 4.559 -10.357 -2.263 124 1HG LYS 16 2HG LYS 16 4.770 -12.643 -2.727 125 2HG LYS 16 3HG LYS 16 6.294 -12.277 -1.931 126 1HD LYS 16 2HD LYS 16 5.483 -13.194 0.200 127 2HD LYS 16 3HD LYS 16 3.853 -13.397 -0.442 128 1HE LYS 16 2HE LYS 16 5.909 -14.708 -2.103 129 2HE LYS 16 3HE LYS 16 5.929 -15.287 -0.435 130 1HZ LYS 16 1HZ LYS 16 3.504 -15.201 -2.132 131 2HZ LYS 16 2HZ LYS 16 4.422 -16.534 -1.900 132 3HZ LYS 16 3HZ LYS 16 3.635 -15.887 -0.614 133 H LEU 17 HN LEU 17 5.524 -8.564 -2.232 134 HA LEU 17 HA LEU 17 8.204 -8.651 -2.995 135 1HB LEU 17 2HB LEU 17 5.903 -6.918 -3.426 136 2HB LEU 17 3HB LEU 17 7.307 -5.887 -3.337 137 HG LEU 17 HG LEU 17 6.905 -6.390 -5.590 138 1HD1 LEU 17 1HD1 LEU 17 9.307 -6.392 -4.636 139 2HD1 LEU 17 2HD1 LEU 17 9.289 -8.141 -4.896 140 3HD1 LEU 17 3HD1 LEU 17 9.059 -7.049 -6.260 141 1HD2 LEU 17 1HD2 LEU 17 6.835 -8.685 -6.478 142 2HD2 LEU 17 2HD2 LEU 17 7.029 -9.346 -4.849 143 3HD2 LEU 17 3HD2 LEU 17 5.576 -8.422 -5.286 144 H LYS 18 HN LYS 18 6.877 -7.201 -0.126 145 HA LYS 18 HA LYS 18 9.015 -5.412 0.547 146 1HB LYS 18 2HB LYS 18 7.655 -4.925 2.209 147 2HB LYS 18 3HB LYS 18 6.559 -6.146 1.629 148 1HG LYS 18 2HG LYS 18 8.672 -6.798 3.674 149 2HG LYS 18 3HG LYS 18 7.107 -6.124 4.054 150 1HD LYS 18 2HD LYS 18 5.983 -8.007 2.882 151 2HD LYS 18 3HD LYS 18 7.535 -8.848 2.699 152 1HE LYS 18 2HE LYS 18 7.900 -8.243 5.174 153 2HE LYS 18 3HE LYS 18 6.130 -7.928 5.133 154 1HZ LYS 18 1HZ LYS 18 6.029 -10.394 4.526 155 2HZ LYS 18 2HZ LYS 18 7.595 -10.451 5.108 156 3HZ LYS 18 3HZ LYS 18 6.423 -9.936 6.063 157 H ILE 19 HN ILE 19 8.611 -8.938 0.779 158 HA ILE 19 HA ILE 19 10.697 -9.298 2.718 159 HB ILE 19 HB ILE 19 8.541 -10.773 1.526 160 1HG1 ILE 19 2HG1 ILE 19 10.268 -11.418 3.918 161 2HG1 ILE 19 3HG1 ILE 19 8.943 -10.304 3.860 162 1HG2 ILE 19 1HG2 ILE 19 11.035 -12.479 1.598 163 2HG2 ILE 19 2HG2 ILE 19 9.363 -12.981 1.247 164 3HG2 ILE 19 3HG2 ILE 19 10.206 -11.947 0.109 165 1HD1 ILE 19 1HD1 ILE 19 8.021 -12.381 4.654 166 2HD1 ILE 19 2HD1 ILE 19 7.464 -12.160 2.984 167 3HD1 ILE 19 3HD1 ILE 19 8.789 -13.295 3.365 168 H ARG 20 HN ARG 20 10.368 -9.026 -0.714 169 HA ARG 20 HA ARG 20 13.155 -9.782 -1.324 170 1HB ARG 20 2HB ARG 20 10.951 -8.550 -3.045 171 2HB ARG 20 3HB ARG 20 12.549 -8.991 -3.594 172 1HG ARG 20 2HG ARG 20 11.804 -11.003 -4.065 173 2HG ARG 20 3HG ARG 20 11.616 -11.331 -2.325 174 1HD ARG 20 2HD ARG 20 9.302 -10.917 -2.396 175 2HD ARG 20 3HD ARG 20 9.445 -10.046 -3.928 176 HE ARG 20 HE ARG 20 9.852 -12.991 -3.585 177 1HH1 ARG 20 2HH2 ARG 20 9.316 -10.394 -6.005 178 2HH1 ARG 20 1HH2 ARG 20 8.047 -11.227 -6.796 179 1HH2 ARG 20 2HH1 ARG 20 8.487 -14.279 -5.071 180 2HH2 ARG 20 1HH1 ARG 20 7.971 -13.533 -6.537 181 H SER 21 HN SER 21 11.417 -6.854 -0.372 182 HA SER 21 HA SER 21 13.750 -5.161 -0.559 183 1HB SER 21 2HB SER 21 13.038 -5.409 -2.955 184 2HB SER 21 3HB SER 21 11.447 -4.769 -2.529 185 HG SER 21 HG SER 21 12.239 -2.849 -2.333 186 H ALA 22 HN ALA 22 12.849 -5.236 1.759 187 HA ALA 22 HA ALA 22 11.801 -2.612 2.202 188 1HB ALA 22 1HB ALA 22 10.197 -4.908 3.489 189 2HB ALA 22 2HB ALA 22 9.914 -3.162 3.699 190 3HB ALA 22 3HB ALA 22 9.594 -3.916 2.154 191 H LYS 23 HN LYS 23 11.545 -2.356 4.655 192 HA LYS 23 HA LYS 23 12.856 -4.220 6.302 193 1HB LYS 23 2HB LYS 23 14.557 -2.140 5.461 194 2HB LYS 23 3HB LYS 23 13.908 -1.516 6.916 195 1HG LYS 23 2HG LYS 23 15.876 -2.627 7.607 196 2HG LYS 23 3HG LYS 23 14.590 -3.771 7.998 197 1HD LYS 23 2HD LYS 23 16.235 -5.102 6.892 198 2HD LYS 23 3HD LYS 23 15.002 -4.804 5.667 199 1HE LYS 23 2HE LYS 23 17.093 -4.511 4.611 200 2HE LYS 23 3HE LYS 23 16.431 -2.881 4.834 201 1HZ LYS 23 1HZ LYS 23 17.981 -2.465 6.530 202 2HZ LYS 23 2HZ LYS 23 18.371 -4.063 6.730 203 3HZ LYS 23 3HZ LYS 23 18.824 -3.257 5.374 204 H ALA 24 HN ALA 24 12.700 -3.087 8.579 205 HA ALA 24 HA ALA 24 9.910 -2.510 9.003 206 1HB ALA 24 1HB ALA 24 12.216 -1.832 10.903 207 2HB ALA 24 2HB ALA 24 10.503 -2.037 11.332 208 3HB ALA 24 3HB ALA 24 11.448 -3.436 10.801 209 H GLU 25 HN GLU 25 12.432 -0.552 7.900 210 HA GLU 25 HA GLU 25 11.308 1.933 8.895 211 1HB GLU 25 2HB GLU 25 13.658 2.771 8.172 212 2HB GLU 25 3HB GLU 25 13.442 1.945 9.747 213 1HG GLU 25 2HG GLU 25 14.075 -0.184 8.665 214 2HG GLU 25 3HG GLU 25 14.342 0.690 7.135 215 H ASP 26 HN ASP 26 10.146 0.638 6.728 216 HA ASP 26 HA ASP 26 11.067 2.323 4.555 217 1HB ASP 26 2HB ASP 26 10.625 -0.220 4.588 218 2HB ASP 26 3HB ASP 26 8.954 0.218 4.148 219 H LYS 27 HN LYS 27 8.867 2.786 2.925 220 HA LYS 27 HA LYS 27 6.665 3.843 4.591 221 1HB LYS 27 2HB LYS 27 6.665 5.986 3.369 222 2HB LYS 27 3HB LYS 27 7.901 5.777 4.570 223 1HG LYS 27 2HG LYS 27 8.782 4.979 1.851 224 2HG LYS 27 3HG LYS 27 8.269 6.658 1.950 225 1HD LYS 27 2HD LYS 27 10.200 5.508 3.997 226 2HD LYS 27 3HD LYS 27 10.751 5.952 2.403 227 1HE LYS 27 2HE LYS 27 11.147 7.897 3.555 228 2HE LYS 27 3HE LYS 27 9.627 8.200 2.699 229 1HZ LYS 27 1HZ LYS 27 9.856 7.566 5.572 230 2HZ LYS 27 2HZ LYS 27 9.505 9.039 4.866 231 3HZ LYS 27 3HZ LYS 27 8.447 7.828 4.763 232 H ILE 28 HN ILE 28 4.927 2.621 3.700 233 HA ILE 28 HA ILE 28 4.796 2.565 0.753 234 HB ILE 28 HB ILE 28 4.012 0.147 2.310 235 1HG1 ILE 28 2HG1 ILE 28 6.843 0.102 1.123 236 2HG1 ILE 28 3HG1 ILE 28 6.582 0.535 2.820 237 1HG2 ILE 28 1HG2 ILE 28 3.380 0.335 -0.072 238 2HG2 ILE 28 2HG2 ILE 28 5.051 0.715 -0.549 239 3HG2 ILE 28 3HG2 ILE 28 4.613 -0.887 -0.001 240 1HD1 ILE 28 1HD1 ILE 28 7.017 -1.808 2.680 241 2HD1 ILE 28 2HD1 ILE 28 5.318 -1.559 3.151 242 3HD1 ILE 28 3HD1 ILE 28 5.721 -2.024 1.484 243 H VAL 29 HN VAL 29 2.700 2.169 -0.018 244 HA VAL 29 HA VAL 29 0.423 2.444 1.706 245 HB VAL 29 HB VAL 29 1.145 4.700 -0.190 246 1HG1 VAL 29 1HG1 VAL 29 -1.013 5.758 0.511 247 2HG1 VAL 29 2HG1 VAL 29 -1.263 4.333 -0.457 248 3HG1 VAL 29 3HG1 VAL 29 -1.481 4.253 1.316 249 1HG2 VAL 29 1HG2 VAL 29 0.818 4.502 2.813 250 2HG2 VAL 29 2HG2 VAL 29 2.188 5.113 1.892 251 3HG2 VAL 29 3HG2 VAL 29 0.701 6.062 1.989 252 H LEU 30 HN LEU 30 -1.572 2.035 0.458 253 HA LEU 30 HA LEU 30 -1.096 0.715 -2.175 254 1HB LEU 30 2HB LEU 30 -3.569 -0.028 -0.745 255 2HB LEU 30 3HB LEU 30 -2.425 -1.040 -1.605 256 HG LEU 30 HG LEU 30 -2.112 -0.166 1.271 257 1HD1 LEU 30 1HD1 LEU 30 -2.649 -2.549 1.742 258 2HD1 LEU 30 2HD1 LEU 30 -3.994 -1.636 1.051 259 3HD1 LEU 30 3HD1 LEU 30 -3.105 -2.744 0.030 260 1HD2 LEU 30 1HD2 LEU 30 -0.394 -1.964 1.326 261 2HD2 LEU 30 2HD2 LEU 30 -0.590 -2.142 -0.434 262 3HD2 LEU 30 3HD2 LEU 30 0.077 -0.651 0.234 263 H ILE 31 HN ILE 31 -2.459 1.155 -3.965 264 HA ILE 31 HA ILE 31 -4.746 2.965 -3.458 265 HB ILE 31 HB ILE 31 -4.183 4.528 -4.843 266 1HG1 ILE 31 2HG1 ILE 31 -2.472 2.595 -6.399 267 2HG1 ILE 31 3HG1 ILE 31 -3.999 3.284 -6.845 268 1HG2 ILE 31 1HG2 ILE 31 -2.463 4.574 -3.049 269 2HG2 ILE 31 2HG2 ILE 31 -1.323 3.835 -4.161 270 3HG2 ILE 31 3HG2 ILE 31 -2.004 5.426 -4.514 271 1HD1 ILE 31 1HD1 ILE 31 -2.984 5.553 -6.818 272 2HD1 ILE 31 2HD1 ILE 31 -1.393 4.740 -6.815 273 3HD1 ILE 31 3HD1 ILE 31 -2.551 4.457 -8.148 274 H GLN 32 HN GLN 32 -6.039 3.123 -5.556 275 HA GLN 32 HA GLN 32 -7.711 1.970 -6.583 276 1HB GLN 32 2HB GLN 32 -5.331 1.156 -8.218 277 2HB GLN 32 3HB GLN 32 -7.000 1.207 -8.770 278 1HG GLN 32 2HG GLN 32 -6.239 3.756 -7.538 279 2HG GLN 32 3HG GLN 32 -5.108 3.306 -8.764 280 1HE2 GLN 32 1HE2 GLN 32 -8.183 4.721 -8.077 281 2HE2 GLN 32 2HE2 GLN 32 -8.731 4.836 -9.730 282 H ASN 33 HN ASN 33 -5.700 -0.620 -7.752 283 HA ASN 33 HA ASN 33 -7.397 -2.552 -6.267 284 1HB ASN 33 2HB ASN 33 -5.540 -3.142 -8.636 285 2HB ASN 33 3HB ASN 33 -6.575 -4.229 -7.790 286 1HD2 ASN 33 1HD2 ASN 33 -6.766 -1.770 -10.355 287 2HD2 ASN 33 2HD2 ASN 33 -8.495 -1.781 -10.415 288 H GLY 34 HN GLY 34 -4.214 -1.222 -6.104 289 1HA GLY 34 1HA GLY 34 -2.570 -3.223 -4.937 290 2HA GLY 34 2HA GLY 34 -2.582 -1.501 -4.666 291 H VAL 35 HN VAL 35 -5.363 -1.355 -3.753 292 HA VAL 35 HA VAL 35 -5.256 -1.656 -1.031 293 HB VAL 35 HB VAL 35 -7.713 -1.725 -1.120 294 1HG1 VAL 35 1HG1 VAL 35 -6.483 0.244 -3.103 295 2HG1 VAL 35 2HG1 VAL 35 -7.989 0.458 -2.214 296 3HG1 VAL 35 3HG1 VAL 35 -6.458 0.412 -1.332 297 1HG2 VAL 35 1HG2 VAL 35 -7.355 -2.169 -4.072 298 2HG2 VAL 35 2HG2 VAL 35 -8.278 -3.124 -2.934 299 3HG2 VAL 35 3HG2 VAL 35 -8.829 -1.489 -3.356 300 H PHE 36 HN PHE 36 -5.754 -4.431 -3.300 301 HA PHE 36 HA PHE 36 -6.761 -6.315 -1.521 302 1HB PHE 36 2HB PHE 36 -5.117 -6.300 -4.033 303 2HB PHE 36 3HB PHE 36 -5.216 -7.761 -3.103 304 HD1 PHE 36 HD1 PHE 36 -6.928 -9.291 -3.482 305 HD2 PHE 36 HD2 PHE 36 -7.472 -5.191 -4.673 306 HE1 PHE 36 HE1 PHE 36 -8.996 -9.911 -4.684 307 HE2 PHE 36 HE2 PHE 36 -9.561 -5.818 -5.865 308 HZ PHE 36 HZ PHE 36 -10.326 -8.167 -5.865 309 H TRP 37 HN TRP 37 -3.500 -4.869 -1.589 310 HA TRP 37 HA TRP 37 -2.204 -7.063 -0.344 311 1HB TRP 37 2HB TRP 37 -1.512 -4.130 -0.295 312 2HB TRP 37 3HB TRP 37 -0.556 -5.345 0.521 313 HD1 TRP 37 HD1 TRP 37 -1.036 -3.764 -2.782 314 HE1 TRP 37 HE1 TRP 37 0.328 -4.915 -4.584 315 HE3 TRP 37 HE3 TRP 37 0.674 -7.724 -0.044 316 HZ2 TRP 37 HZ2 TRP 37 2.443 -7.037 -4.619 317 HZ3 TRP 37 HZ3 TRP 37 2.331 -9.295 -0.984 318 HH2 TRP 37 HH2 TRP 37 3.322 -8.875 -3.269 319 H ALA 38 HN ALA 38 -4.599 -4.900 0.960 320 HA ALA 38 HA ALA 38 -3.864 -5.325 3.848 321 1HB ALA 38 1HB ALA 38 -6.168 -3.836 2.588 322 2HB ALA 38 2HB ALA 38 -5.604 -3.739 4.256 323 3HB ALA 38 3HB ALA 38 -4.610 -3.046 2.953 324 H LEU 39 HN LEU 39 -4.442 -7.571 2.140 325 HA LEU 39 HA LEU 39 -6.110 -8.927 3.937 326 1HB LEU 39 2HB LEU 39 -7.964 -9.534 2.521 327 2HB LEU 39 3HB LEU 39 -7.952 -7.925 3.201 328 HG LEU 39 HG LEU 39 -7.394 -8.411 0.251 329 1HD1 LEU 39 1HD1 LEU 39 -9.756 -7.766 0.045 330 2HD1 LEU 39 2HD1 LEU 39 -9.685 -9.147 1.144 331 3HD1 LEU 39 3HD1 LEU 39 -9.878 -7.502 1.814 332 1HD2 LEU 39 1HD2 LEU 39 -8.140 -5.895 1.836 333 2HD2 LEU 39 2HD2 LEU 39 -6.654 -6.162 0.902 334 3HD2 LEU 39 3HD2 LEU 39 -8.192 -6.033 0.078 335 H GLU 40 HN GLU 40 -3.610 -9.186 3.136 336 HA GLU 40 HA GLU 40 -3.393 -11.657 1.512 337 1HB GLU 40 2HB GLU 40 -1.302 -9.756 2.647 338 2HB GLU 40 3HB GLU 40 -0.961 -11.112 1.569 339 1HG GLU 40 2HG GLU 40 -2.752 -8.767 0.888 340 2HG GLU 40 3HG GLU 40 -1.033 -8.806 0.546 341 H GLU 41 HN GLU 41 -1.090 -12.642 2.831 342 HA GLU 41 HA GLU 41 -1.765 -13.080 5.644 343 1HB GLU 41 2HB GLU 41 -1.677 -15.550 5.200 344 2HB GLU 41 3HB GLU 41 -3.031 -14.735 4.405 345 1HG GLU 41 2HG GLU 41 -0.656 -14.861 2.644 346 2HG GLU 41 3HG GLU 41 -1.175 -16.434 3.188 347 H LEU 42 HN LEU 42 0.116 -11.518 5.415 348 HA LEU 42 HA LEU 42 2.602 -13.034 5.818 349 1HB LEU 42 2HB LEU 42 1.886 -11.732 3.404 350 2HB LEU 42 3HB LEU 42 3.030 -10.651 4.171 351 HG LEU 42 HG LEU 42 4.418 -11.846 2.824 352 1HD1 LEU 42 1HD1 LEU 42 5.284 -12.006 5.138 353 2HD1 LEU 42 2HD1 LEU 42 4.625 -13.637 5.200 354 3HD1 LEU 42 3HD1 LEU 42 5.860 -13.236 3.993 355 1HD2 LEU 42 1HD2 LEU 42 2.718 -13.463 2.038 356 2HD2 LEU 42 2HD2 LEU 42 4.314 -14.188 2.303 357 3HD2 LEU 42 3HD2 LEU 42 3.030 -14.443 3.501 358 H GLU 43 HN GLU 43 3.862 -10.060 5.802 359 HA GLU 43 HA GLU 43 2.598 -8.931 8.086 360 1HB GLU 43 2HB GLU 43 4.232 -9.488 9.758 361 2HB GLU 43 3HB GLU 43 3.403 -10.934 9.210 362 1HG GLU 43 2HG GLU 43 5.908 -10.549 7.878 363 2HG GLU 43 3HG GLU 43 6.099 -10.720 9.611 364 H THR 44 HN THR 44 3.037 -6.759 7.425 365 HA THR 44 HA THR 44 5.742 -6.133 6.316 366 HB THR 44 HB THR 44 3.809 -4.920 5.442 367 HG1 THR 44 HG1 THR 44 4.684 -2.867 5.756 368 1HG2 THR 44 1HG2 THR 44 2.420 -3.499 6.782 369 2HG2 THR 44 2HG2 THR 44 2.636 -4.845 7.856 370 3HG2 THR 44 3HG2 THR 44 3.619 -3.398 8.085 371 HA PRO 45 HA PRO 45 6.920 -4.732 10.407 372 1HB PRO 45 2HB PRO 45 9.533 -4.408 10.011 373 2HB PRO 45 3HB PRO 45 8.821 -6.029 10.112 374 1HG PRO 45 2HG PRO 45 9.776 -4.541 7.685 375 2HG PRO 45 3HG PRO 45 9.833 -6.296 8.028 376 1HD PRO 45 2HD PRO 45 7.869 -4.788 6.583 377 2HD PRO 45 3HD PRO 45 7.782 -6.540 7.014 378 H ALA 46 HN ALA 46 6.853 -3.157 7.318 379 HA ALA 46 HA ALA 46 7.945 -0.573 8.175 380 1HB ALA 46 1HB ALA 46 7.451 0.120 5.895 381 2HB ALA 46 2HB ALA 46 8.238 -1.471 5.832 382 3HB ALA 46 3HB ALA 46 6.483 -1.331 5.609 383 H LYS 47 HN LYS 47 6.268 1.419 7.247 384 HA LYS 47 HA LYS 47 3.772 1.032 8.724 385 1HB LYS 47 2HB LYS 47 3.398 3.341 7.990 386 2HB LYS 47 3HB LYS 47 4.746 3.134 9.116 387 1HG LYS 47 2HG LYS 47 6.363 3.487 7.467 388 2HG LYS 47 3HG LYS 47 5.253 3.157 6.152 389 1HD LYS 47 2HD LYS 47 5.736 5.521 6.182 390 2HD LYS 47 3HD LYS 47 4.069 5.136 6.562 391 1HE LYS 47 2HE LYS 47 4.293 6.568 8.327 392 2HE LYS 47 3HE LYS 47 5.183 5.274 9.120 393 1HZ LYS 47 1HZ LYS 47 6.279 7.527 8.981 394 2HZ LYS 47 2HZ LYS 47 7.217 6.288 8.491 395 3HZ LYS 47 3HZ LYS 47 6.494 7.292 7.384 396 H VAL 48 HN VAL 48 1.782 0.821 7.543 397 HA VAL 48 HA VAL 48 1.912 0.800 4.623 398 HB VAL 48 HB VAL 48 1.183 -1.544 6.428 399 1HG1 VAL 48 1HG1 VAL 48 0.287 -2.646 4.371 400 2HG1 VAL 48 2HG1 VAL 48 -0.694 -1.301 4.931 401 3HG1 VAL 48 3HG1 VAL 48 0.363 -1.065 3.533 402 1HG2 VAL 48 1HG2 VAL 48 3.499 -1.536 5.748 403 2HG2 VAL 48 2HG2 VAL 48 2.679 -2.717 4.705 404 3HG2 VAL 48 3HG2 VAL 48 3.088 -1.108 4.083 405 H TYR 49 HN TYR 49 0.218 1.760 3.904 406 HA TYR 49 HA TYR 49 -2.231 2.023 5.565 407 1HB TYR 49 2HB TYR 49 -0.735 4.322 4.247 408 2HB TYR 49 3HB TYR 49 -2.305 4.401 4.990 409 HD1 TYR 49 HD1 TYR 49 -2.610 4.516 7.345 410 HD2 TYR 49 HD2 TYR 49 1.431 4.158 5.808 411 HE1 TYR 49 HE1 TYR 49 -1.728 5.432 9.470 412 HE2 TYR 49 HE2 TYR 49 2.256 5.149 7.905 413 HH TYR 49 HH TYR 49 0.928 5.194 10.665 414 H ALA 50 HN ALA 50 -4.095 2.800 3.993 415 HA ALA 50 HA ALA 50 -3.463 2.158 1.116 416 1HB ALA 50 1HB ALA 50 -5.805 1.039 2.653 417 2HB ALA 50 2HB ALA 50 -5.344 0.708 0.978 418 3HB ALA 50 3HB ALA 50 -4.330 0.134 2.323 419 H ILE 51 HN ILE 51 -4.899 3.225 -0.348 420 HA ILE 51 HA ILE 51 -6.119 5.659 0.678 421 HB ILE 51 HB ILE 51 -5.852 4.491 -2.134 422 1HG1 ILE 51 2HG1 ILE 51 -3.728 5.153 -1.402 423 2HG1 ILE 51 3HG1 ILE 51 -4.359 6.378 -2.513 424 1HG2 ILE 51 1HG2 ILE 51 -6.736 7.357 -1.519 425 2HG2 ILE 51 2HG2 ILE 51 -6.718 6.481 -3.065 426 3HG2 ILE 51 3HG2 ILE 51 -7.889 6.076 -1.837 427 1HD1 ILE 51 1HD1 ILE 51 -3.192 7.490 -0.757 428 2HD1 ILE 51 2HD1 ILE 51 -4.903 7.763 -0.415 429 3HD1 ILE 51 3HD1 ILE 51 -3.994 6.552 0.510 430 H LYS 52 HN LYS 52 -7.700 5.582 1.734 431 HA LYS 52 HA LYS 52 -9.891 3.989 1.841 432 1HB LYS 52 2HB LYS 52 -9.091 5.709 3.398 433 2HB LYS 52 3HB LYS 52 -9.570 6.995 2.294 434 1HG LYS 52 2HG LYS 52 -11.900 6.601 2.742 435 2HG LYS 52 3HG LYS 52 -11.516 5.117 3.646 436 1HD LYS 52 2HD LYS 52 -10.907 6.243 5.547 437 2HD LYS 52 3HD LYS 52 -9.999 7.444 4.648 438 1HE LYS 52 2HE LYS 52 -11.600 8.750 5.598 439 2HE LYS 52 3HE LYS 52 -12.250 8.465 3.968 440 1HZ LYS 52 1HZ LYS 52 -13.614 6.677 5.004 441 2HZ LYS 52 2HZ LYS 52 -13.105 7.132 6.475 442 3HZ LYS 52 3HZ LYS 52 -13.988 8.175 5.573 443 H ASP 53 HN ASP 53 -9.711 6.991 -0.221 444 HA ASP 53 HA ASP 53 -12.424 6.518 -1.100 445 1HB ASP 53 2HB ASP 53 -10.246 8.321 -2.211 446 2HB ASP 53 3HB ASP 53 -11.871 8.219 -2.902 447 H ASP 54 HN ASP 54 -9.233 5.643 -2.680 448 HA ASP 54 HA ASP 54 -10.457 4.514 -4.987 449 1HB ASP 54 2HB ASP 54 -7.798 4.184 -3.575 450 2HB ASP 54 3HB ASP 54 -8.280 3.011 -4.786 451 H PHE 55 HN PHE 55 -9.542 3.081 -1.816 452 HA PHE 55 HA PHE 55 -10.242 0.474 -2.171 453 1HB PHE 55 2HB PHE 55 -9.163 1.557 -0.193 454 2HB PHE 55 3HB PHE 55 -10.705 2.204 0.315 455 HD1 PHE 55 HD1 PHE 55 -12.612 0.525 0.988 456 HD2 PHE 55 HD2 PHE 55 -8.524 -0.588 0.323 457 HE1 PHE 55 HE1 PHE 55 -12.941 -1.493 2.278 458 HE2 PHE 55 HE2 PHE 55 -8.989 -2.837 1.258 459 HZ PHE 55 HZ PHE 55 -11.194 -3.269 2.346 460 H LEU 56 HN LEU 56 -12.349 3.102 -1.034 461 HA LEU 56 HA LEU 56 -14.773 1.573 -0.856 462 1HB LEU 56 2HB LEU 56 -14.160 4.543 -1.156 463 2HB LEU 56 3HB LEU 56 -15.779 3.946 -0.847 464 HG LEU 56 HG LEU 56 -13.405 3.341 0.979 465 1HD1 LEU 56 1HD1 LEU 56 -14.319 5.093 2.470 466 2HD1 LEU 56 2HD1 LEU 56 -13.867 5.777 0.910 467 3HD1 LEU 56 3HD1 LEU 56 -15.580 5.466 1.277 468 1HD2 LEU 56 1HD2 LEU 56 -16.411 3.015 1.371 469 2HD2 LEU 56 2HD2 LEU 56 -15.223 1.707 1.233 470 3HD2 LEU 56 3HD2 LEU 56 -15.194 2.767 2.632 471 H ALA 57 HN ALA 57 -13.260 3.507 -3.429 472 HA ALA 57 HA ALA 57 -15.472 3.197 -5.234 473 1HB ALA 57 1HB ALA 57 -12.532 3.726 -5.838 474 2HB ALA 57 2HB ALA 57 -13.857 3.822 -6.999 475 3HB ALA 57 3HB ALA 57 -13.807 4.947 -5.627 476 H ARG 58 HN ARG 58 -13.186 0.887 -4.026 477 HA ARG 58 HA ARG 58 -13.304 -0.777 -6.511 478 1HB ARG 58 2HB ARG 58 -11.318 -0.237 -4.565 479 2HB ARG 58 3HB ARG 58 -11.887 -1.724 -4.047 480 1HG ARG 58 2HG ARG 58 -11.273 -1.651 -6.964 481 2HG ARG 58 3HG ARG 58 -9.921 -1.324 -5.873 482 1HD ARG 58 2HD ARG 58 -9.819 -3.618 -6.239 483 2HD ARG 58 3HD ARG 58 -10.449 -3.409 -4.617 484 HE ARG 58 HE ARG 58 -12.611 -4.064 -5.343 485 1HH1 ARG 58 2HH2 ARG 58 -10.455 -3.901 -8.202 486 2HH1 ARG 58 1HH2 ARG 58 -11.538 -4.864 -9.158 487 1HH2 ARG 58 2HH1 ARG 58 -13.897 -5.388 -6.580 488 2HH2 ARG 58 1HH1 ARG 58 -13.562 -5.644 -8.273 489 H GLY 59 HN GLY 59 -15.765 -0.352 -4.739 490 1HA GLY 59 1HA GLY 59 -17.439 -1.675 -3.854 491 2HA GLY 59 2HA GLY 59 -16.764 -2.940 -4.901 492 H TYR 60 HN TYR 60 -15.722 -1.341 -1.792 493 HA TYR 60 HA TYR 60 -15.670 -3.887 -0.356 494 1HB TYR 60 2HB TYR 60 -13.409 -1.899 -0.747 495 2HB TYR 60 3HB TYR 60 -13.635 -2.824 0.715 496 HD1 TYR 60 HD1 TYR 60 -12.733 -3.128 -2.786 497 HD2 TYR 60 HD2 TYR 60 -12.897 -4.959 0.996 498 HE1 TYR 60 HE1 TYR 60 -11.576 -5.176 -3.754 499 HE2 TYR 60 HE2 TYR 60 -11.787 -7.011 0.136 500 HH TYR 60 HH TYR 60 -10.443 -7.109 -3.185 501 H SER 61 HN SER 61 -15.416 -3.156 2.104 502 HA SER 61 HA SER 61 -16.378 -0.420 2.534 503 1HB SER 61 2HB SER 61 -18.239 -2.256 2.693 504 2HB SER 61 3HB SER 61 -17.437 -2.728 4.202 505 HG SER 61 HG SER 61 -19.113 -0.698 3.647 506 H GLU 62 HN GLU 62 -15.836 0.189 5.005 507 HA GLU 62 HA GLU 62 -13.100 0.151 5.052 508 1HB GLU 62 2HB GLU 62 -14.600 0.504 7.659 509 2HB GLU 62 3HB GLU 62 -13.203 1.353 7.017 510 1HG GLU 62 2HG GLU 62 -14.793 2.410 5.334 511 2HG GLU 62 3HG GLU 62 -16.120 1.704 6.263 512 H GLU 63 HN GLU 63 -15.386 -1.934 6.706 513 HA GLU 63 HA GLU 63 -13.609 -3.024 8.577 514 1HB GLU 63 2HB GLU 63 -15.467 -4.490 9.123 515 2HB GLU 63 3HB GLU 63 -16.035 -2.853 8.826 516 1HG GLU 63 2HG GLU 63 -16.400 -3.836 6.330 517 2HG GLU 63 3HG GLU 63 -16.489 -5.356 7.215 518 H ASP 64 HN ASP 64 -13.702 -3.557 5.247 519 HA ASP 64 HA ASP 64 -13.107 -6.428 5.245 520 1HB ASP 64 2HB ASP 64 -13.060 -4.359 3.053 521 2HB ASP 64 3HB ASP 64 -12.833 -6.098 2.837 522 H SER 65 HN SER 65 -11.230 -3.469 5.386 523 HA SER 65 HA SER 65 -8.909 -4.855 4.191 524 1HB SER 65 2HB SER 65 -8.588 -2.917 3.290 525 2HB SER 65 3HB SER 65 -9.675 -2.028 4.356 526 HG SER 65 HG SER 65 -7.973 -1.504 5.588 527 H LYS 66 HN LYS 66 -7.039 -5.195 5.402 528 HA LYS 66 HA LYS 66 -7.253 -4.850 8.352 529 1HB LYS 66 2HB LYS 66 -6.005 -6.837 8.578 530 2HB LYS 66 3HB LYS 66 -7.274 -7.120 7.353 531 1HG LYS 66 2HG LYS 66 -5.967 -7.542 5.710 532 2HG LYS 66 3HG LYS 66 -4.668 -6.434 6.173 533 1HD LYS 66 2HD LYS 66 -3.587 -8.034 7.338 534 2HD LYS 66 3HD LYS 66 -5.038 -8.800 7.965 535 1HE LYS 66 2HE LYS 66 -4.296 -9.071 4.995 536 2HE LYS 66 3HE LYS 66 -3.582 -10.106 6.210 537 1HZ LYS 66 1HZ LYS 66 -5.598 -11.085 5.287 538 2HZ LYS 66 2HZ LYS 66 -5.658 -10.907 6.897 539 3HZ LYS 66 3HZ LYS 66 -6.527 -9.887 5.938 540 H VAL 67 HN VAL 67 -6.401 -2.656 6.717 541 HA VAL 67 HA VAL 67 -4.006 -2.046 8.281 542 HB VAL 67 HB VAL 67 -2.638 -1.288 6.503 543 1HG1 VAL 67 1HG1 VAL 67 -3.721 -3.949 5.609 544 2HG1 VAL 67 2HG1 VAL 67 -2.196 -3.196 5.096 545 3HG1 VAL 67 3HG1 VAL 67 -2.453 -3.616 6.797 546 1HG2 VAL 67 1HG2 VAL 67 -4.095 -0.052 5.139 547 2HG2 VAL 67 2HG2 VAL 67 -3.307 -1.259 4.115 548 3HG2 VAL 67 3HG2 VAL 67 -4.999 -1.485 4.652 549 HA PRO 68 HA PRO 68 -6.198 1.708 8.665 550 1HB PRO 68 2HB PRO 68 -4.278 3.671 8.757 551 2HB PRO 68 3HB PRO 68 -4.629 2.500 10.067 552 1HG PRO 68 2HG PRO 68 -2.442 2.331 7.990 553 2HG PRO 68 3HG PRO 68 -2.344 1.993 9.755 554 1HD PRO 68 2HD PRO 68 -2.560 0.088 7.921 555 2HD PRO 68 3HD PRO 68 -3.346 -0.074 9.493 556 H LEU 69 HN LEU 69 -7.522 2.365 7.299 557 HA LEU 69 HA LEU 69 -6.859 3.070 4.530 558 1HB LEU 69 2HB LEU 69 -9.481 3.112 6.084 559 2HB LEU 69 3HB LEU 69 -9.343 3.255 4.341 560 HG LEU 69 HG LEU 69 -8.697 0.762 5.940 561 1HD1 LEU 69 1HD1 LEU 69 -11.154 1.418 5.615 562 2HD1 LEU 69 2HD1 LEU 69 -10.878 1.132 3.882 563 3HD1 LEU 69 3HD1 LEU 69 -10.668 -0.181 5.045 564 1HD2 LEU 69 1HD2 LEU 69 -8.326 1.515 3.028 565 2HD2 LEU 69 2HD2 LEU 69 -7.248 0.626 4.149 566 3HD2 LEU 69 3HD2 LEU 69 -8.685 -0.149 3.462 567 H ILE 70 HN ILE 70 -6.103 4.921 4.104 568 HA ILE 70 HA ILE 70 -6.800 7.344 5.705 569 HB ILE 70 HB ILE 70 -4.583 8.085 5.459 570 1HG1 ILE 70 2HG1 ILE 70 -3.885 5.645 3.799 571 2HG1 ILE 70 3HG1 ILE 70 -4.137 7.290 3.171 572 1HG2 ILE 70 1HG2 ILE 70 -3.423 6.593 6.906 573 2HG2 ILE 70 2HG2 ILE 70 -5.132 6.484 7.296 574 3HG2 ILE 70 3HG2 ILE 70 -4.381 5.197 6.340 575 1HD1 ILE 70 1HD1 ILE 70 -1.946 6.631 5.168 576 2HD1 ILE 70 2HD1 ILE 70 -1.748 6.746 3.405 577 3HD1 ILE 70 3HD1 ILE 70 -2.251 8.152 4.351 578 H THR 71 HN THR 71 -6.251 9.453 4.413 579 HA THR 71 HA THR 71 -7.598 9.235 1.811 580 HB THR 71 HB THR 71 -7.276 11.743 1.960 581 HG1 THR 71 HG1 THR 71 -6.999 12.049 4.514 582 1HG2 THR 71 1HG2 THR 71 -9.070 12.036 3.553 583 2HG2 THR 71 2HG2 THR 71 -9.376 10.537 2.654 584 3HG2 THR 71 3HG2 THR 71 -8.730 10.452 4.299 585 H TYR 72 HN TYR 72 -6.714 10.540 -0.026 586 HA TYR 72 HA TYR 72 -4.060 9.856 -0.817 587 1HB TYR 72 2HB TYR 72 -5.860 12.176 -1.627 588 2HB TYR 72 3HB TYR 72 -4.310 11.834 -2.374 589 HD1 TYR 72 HD1 TYR 72 -4.126 9.042 -2.878 590 HD2 TYR 72 HD2 TYR 72 -7.575 11.618 -3.126 591 HE1 TYR 72 HE1 TYR 72 -5.065 7.594 -4.621 592 HE2 TYR 72 HE2 TYR 72 -8.561 10.146 -4.852 593 HH TYR 72 HH TYR 72 -7.045 7.030 -5.720 594 H SER 73 HN SER 73 -5.293 12.835 0.889 595 HA SER 73 HA SER 73 -2.789 14.088 0.736 596 1HB SER 73 2HB SER 73 -4.714 14.650 2.972 597 2HB SER 73 3HB SER 73 -3.700 15.733 1.965 598 HG SER 73 HG SER 73 -5.286 15.866 0.587 599 H GLU 74 HN GLU 74 -4.097 11.789 3.150 600 HA GLU 74 HA GLU 74 -1.927 12.136 5.030 601 1HB GLU 74 2HB GLU 74 -4.090 10.069 4.603 602 2HB GLU 74 3HB GLU 74 -2.798 9.845 5.792 603 1HG GLU 74 2HG GLU 74 -3.407 12.158 6.685 604 2HG GLU 74 3HG GLU 74 -4.910 12.027 5.786 605 H PHE 75 HN PHE 75 -2.326 10.357 2.017 606 HA PHE 75 HA PHE 75 0.000 8.644 2.400 607 1HB PHE 75 2HB PHE 75 -1.591 7.798 0.973 608 2HB PHE 75 3HB PHE 75 -1.916 9.294 0.190 609 HD1 PHE 75 HD1 PHE 75 1.431 7.520 0.501 610 HD2 PHE 75 HD2 PHE 75 -1.707 8.992 -2.073 611 HE1 PHE 75 HE1 PHE 75 2.587 6.573 -1.452 612 HE2 PHE 75 HE2 PHE 75 -0.579 8.011 -4.015 613 HZ PHE 75 HZ PHE 75 1.581 6.772 -3.727 614 H ILE 76 HN ILE 76 -0.637 11.719 0.602 615 HA ILE 76 HA ILE 76 1.960 12.052 -0.404 616 HB ILE 76 HB ILE 76 -0.002 14.190 0.541 617 1HG1 ILE 76 2HG1 ILE 76 -1.130 13.043 -1.163 618 2HG1 ILE 76 3HG1 ILE 76 -0.481 14.472 -1.913 619 1HG2 ILE 76 1HG2 ILE 76 2.271 15.145 0.345 620 2HG2 ILE 76 2HG2 ILE 76 2.431 14.488 -1.284 621 3HG2 ILE 76 3HG2 ILE 76 1.234 15.758 -0.941 622 1HD1 ILE 76 1HD1 ILE 76 1.379 13.080 -2.896 623 2HD1 ILE 76 2HD1 ILE 76 0.602 11.635 -2.198 624 3HD1 ILE 76 3HD1 ILE 76 -0.245 12.593 -3.420 625 H ASP 77 HN ASP 77 0.754 12.996 2.835 626 HA ASP 77 HA ASP 77 3.049 14.253 3.853 627 1HB ASP 77 2HB ASP 77 1.083 14.274 5.134 628 2HB ASP 77 3HB ASP 77 0.936 12.524 5.163 629 H LEU 78 HN LEU 78 2.506 10.816 3.274 630 HA LEU 78 HA LEU 78 4.723 10.053 5.020 631 1HB LEU 78 2HB LEU 78 2.917 8.392 3.232 632 2HB LEU 78 3HB LEU 78 4.136 7.735 4.327 633 HG LEU 78 HG LEU 78 1.792 9.413 5.298 634 1HD1 LEU 78 1HD1 LEU 78 0.952 7.385 4.245 635 2HD1 LEU 78 2HD1 LEU 78 2.138 6.400 5.113 636 3HD1 LEU 78 3HD1 LEU 78 0.828 7.220 6.003 637 1HD2 LEU 78 1HD2 LEU 78 3.866 7.721 6.698 638 2HD2 LEU 78 2HD2 LEU 78 3.597 9.460 6.866 639 3HD2 LEU 78 3HD2 LEU 78 2.390 8.338 7.491 640 H LEU 79 HN LEU 79 4.451 11.223 1.901 641 HA LEU 79 HA LEU 79 6.810 9.779 0.802 642 1HB LEU 79 2HB LEU 79 4.974 11.797 -0.546 643 2HB LEU 79 3HB LEU 79 6.334 10.942 -1.267 644 HG LEU 79 HG LEU 79 3.717 9.731 -0.278 645 1HD1 LEU 79 1HD1 LEU 79 3.333 9.247 -2.624 646 2HD1 LEU 79 2HD1 LEU 79 3.623 10.974 -2.417 647 3HD1 LEU 79 3HD1 LEU 79 4.914 9.933 -3.071 648 1HD2 LEU 79 1HD2 LEU 79 6.261 8.405 -1.271 649 2HD2 LEU 79 2HD2 LEU 79 5.352 8.068 0.206 650 3HD2 LEU 79 3HD2 LEU 79 4.670 7.604 -1.351 651 H GLU 80 HN GLU 80 5.633 13.139 0.762 652 HA GLU 80 HA GLU 80 6.847 15.061 0.473 653 1HB GLU 80 2HB GLU 80 7.378 14.281 3.351 654 2HB GLU 80 3HB GLU 80 7.475 15.923 2.704 655 1HG GLU 80 2HG GLU 80 4.987 14.177 2.719 656 2HG GLU 80 3HG GLU 80 5.311 15.417 3.892 657 H GLY 81 HN GLY 81 8.316 14.236 -1.086 658 1HA GLY 81 1HA GLY 81 10.373 14.708 -1.961 659 2HA GLY 81 2HA GLY 81 11.059 14.882 -0.350 660 H GLU 82 HN GLU 82 9.295 11.960 -1.416 661 HA GLU 82 HA GLU 82 11.809 10.410 -1.627 662 1HB GLU 82 2HB GLU 82 9.484 10.003 0.299 663 2HB GLU 82 3HB GLU 82 10.535 8.707 -0.182 664 1HG GLU 82 2HG GLU 82 11.771 11.159 1.036 665 2HG GLU 82 3HG GLU 82 11.003 9.931 2.044 666 H GLU 83 HN GLU 83 11.547 9.588 -3.742 667 HA GLU 83 HA GLU 83 8.903 8.465 -4.433 668 1HB GLU 83 2HB GLU 83 10.778 10.200 -5.963 669 2HB GLU 83 3HB GLU 83 9.730 9.072 -6.843 670 1HG GLU 83 2HG GLU 83 7.736 10.005 -5.836 671 2HG GLU 83 3HG GLU 83 8.699 11.094 -4.830 672 H LYS 84 HN LYS 84 10.091 6.569 -3.187 673 HA LYS 84 HA LYS 84 11.126 4.769 -5.383 674 1HB LYS 84 2HB LYS 84 12.226 5.393 -2.617 675 2HB LYS 84 3HB LYS 84 12.740 3.946 -3.479 676 1HG LYS 84 2HG LYS 84 14.118 5.032 -4.864 677 2HG LYS 84 3HG LYS 84 13.058 6.400 -5.085 678 1HD LYS 84 2HD LYS 84 14.858 5.971 -2.669 679 2HD LYS 84 3HD LYS 84 15.161 7.048 -4.037 680 1HE LYS 84 2HE LYS 84 12.799 8.074 -3.410 681 2HE LYS 84 3HE LYS 84 13.082 7.305 -1.848 682 1HZ LYS 84 1HZ LYS 84 14.004 9.362 -1.548 683 2HZ LYS 84 2HZ LYS 84 15.330 8.566 -1.962 684 3HZ LYS 84 3HZ LYS 84 14.591 9.507 -3.097 685 H PHE 85 HN PHE 85 8.474 4.971 -4.210 686 HA PHE 85 HA PHE 85 7.825 2.297 -3.826 687 1HB PHE 85 2HB PHE 85 7.270 2.573 -1.193 688 2HB PHE 85 3HB PHE 85 8.779 1.965 -1.789 689 HD1 PHE 85 HD1 PHE 85 10.531 2.602 -0.450 690 HD2 PHE 85 HD2 PHE 85 7.499 5.521 -1.362 691 HE1 PHE 85 HE1 PHE 85 12.051 4.429 0.271 692 HE2 PHE 85 HE2 PHE 85 8.991 7.318 -0.680 693 HZ PHE 85 HZ PHE 85 11.344 6.772 0.105 694 H ILE 86 HN ILE 86 6.397 3.642 -5.361 695 HA ILE 86 HA ILE 86 4.309 5.177 -3.861 696 HB ILE 86 HB ILE 86 5.214 6.130 -6.519 697 1HG1 ILE 86 2HG1 ILE 86 7.410 5.917 -5.361 698 2HG1 ILE 86 3HG1 ILE 86 6.973 7.548 -5.721 699 1HG2 ILE 86 1HG2 ILE 86 4.200 7.492 -4.002 700 2HG2 ILE 86 2HG2 ILE 86 4.750 8.381 -5.441 701 3HG2 ILE 86 3HG2 ILE 86 3.360 7.317 -5.552 702 1HD1 ILE 86 1HD1 ILE 86 6.691 8.160 -3.498 703 2HD1 ILE 86 2HD1 ILE 86 6.281 6.525 -2.969 704 3HD1 ILE 86 3HD1 ILE 86 7.962 6.943 -3.329 705 H GLY 87 HN GLY 87 2.472 5.768 -5.711 706 1HA GLY 87 1HA GLY 87 2.752 4.407 -8.080 707 2HA GLY 87 2HA GLY 87 1.300 3.788 -7.256 Start of MODEL 8 1 1H MET 1 HN MET 1 -15.652 -2.319 6.350 2 HA MET 1 HA MET 1 -13.388 -3.251 7.985 3 1HB MET 1 2HB MET 1 -14.519 -4.450 5.550 4 2HB MET 1 3HB MET 1 -12.818 -4.072 5.379 5 1HG MET 1 2HG MET 1 -13.163 -6.315 6.259 6 2HG MET 1 3HG MET 1 -12.322 -5.323 7.442 7 1HE MET 1 1HE MET 1 -14.708 -8.031 9.251 8 2HE MET 1 2HE MET 1 -14.180 -8.193 7.575 9 3HE MET 1 3HE MET 1 -13.022 -7.669 8.822 10 H ALA 2 HN ALA 2 -12.017 -1.612 8.228 11 HA ALA 2 HA ALA 2 -11.314 0.160 5.981 12 1HB ALA 2 1HB ALA 2 -12.209 1.248 8.696 13 2HB ALA 2 2HB ALA 2 -11.682 2.180 7.284 14 3HB ALA 2 3HB ALA 2 -13.218 1.295 7.243 15 H LEU 3 HN LEU 3 -9.087 0.572 6.111 16 HA LEU 3 HA LEU 3 -7.599 -0.345 8.497 17 1HB LEU 3 2HB LEU 3 -7.416 -1.359 5.630 18 2HB LEU 3 3HB LEU 3 -6.091 -1.588 6.793 19 HG LEU 3 HG LEU 3 -8.920 -2.655 7.293 20 1HD1 LEU 3 1HD1 LEU 3 -8.073 -4.861 7.031 21 2HD1 LEU 3 2HD1 LEU 3 -7.589 -3.965 5.583 22 3HD1 LEU 3 3HD1 LEU 3 -6.424 -4.307 6.907 23 1HD2 LEU 3 1HD2 LEU 3 -7.645 -3.902 9.170 24 2HD2 LEU 3 2HD2 LEU 3 -6.349 -2.733 8.935 25 3HD2 LEU 3 3HD2 LEU 3 -7.970 -2.199 9.453 26 H VAL 4 HN VAL 4 -6.924 1.591 9.006 27 HA VAL 4 HA VAL 4 -5.950 3.327 6.794 28 HB VAL 4 HB VAL 4 -6.612 5.130 8.168 29 1HG1 VAL 4 1HG1 VAL 4 -8.951 3.211 8.141 30 2HG1 VAL 4 2HG1 VAL 4 -8.970 4.984 8.008 31 3HG1 VAL 4 3HG1 VAL 4 -8.282 4.005 6.704 32 1HG2 VAL 4 1HG2 VAL 4 -6.104 3.974 10.403 33 2HG2 VAL 4 2HG2 VAL 4 -7.500 5.066 10.311 34 3HG2 VAL 4 3HG2 VAL 4 -7.719 3.270 10.287 35 H LEU 5 HN LEU 5 -4.272 1.326 7.712 36 HA LEU 5 HA LEU 5 -2.175 2.720 9.092 37 1HB LEU 5 2HB LEU 5 -2.054 1.062 10.915 38 2HB LEU 5 3HB LEU 5 -3.389 2.195 10.918 39 HG LEU 5 HG LEU 5 -4.566 -0.022 9.644 40 1HD1 LEU 5 1HD1 LEU 5 -2.644 -1.087 11.745 41 2HD1 LEU 5 2HD1 LEU 5 -4.027 -1.990 11.074 42 3HD1 LEU 5 3HD1 LEU 5 -2.704 -1.529 10.020 43 1HD2 LEU 5 1HD2 LEU 5 -4.540 0.395 12.629 44 2HD2 LEU 5 2HD2 LEU 5 -5.503 1.358 11.479 45 3HD2 LEU 5 3HD2 LEU 5 -5.777 -0.382 11.617 46 H VAL 6 HN VAL 6 -0.307 1.756 8.087 47 HA VAL 6 HA VAL 6 -0.365 -1.070 7.664 48 HB VAL 6 HB VAL 6 -1.528 -0.418 5.629 49 1HG1 VAL 6 1HG1 VAL 6 -0.759 1.819 5.290 50 2HG1 VAL 6 2HG1 VAL 6 0.860 1.237 4.880 51 3HG1 VAL 6 3HG1 VAL 6 -0.537 0.824 3.864 52 1HG2 VAL 6 1HG2 VAL 6 0.367 -1.450 4.045 53 2HG2 VAL 6 2HG2 VAL 6 1.039 -1.871 5.635 54 3HG2 VAL 6 3HG2 VAL 6 -0.566 -2.384 5.238 55 H LYS 7 HN LYS 7 1.004 -0.081 9.419 56 HA LYS 7 HA LYS 7 3.784 0.267 8.369 57 1HB LYS 7 2HB LYS 7 4.247 1.434 10.572 58 2HB LYS 7 3HB LYS 7 3.070 2.290 9.576 59 1HG LYS 7 2HG LYS 7 1.258 1.708 10.932 60 2HG LYS 7 3HG LYS 7 2.080 0.341 11.691 61 1HD LYS 7 2HD LYS 7 3.315 1.665 13.146 62 2HD LYS 7 3HD LYS 7 3.126 3.118 12.139 63 1HE LYS 7 2HE LYS 7 0.630 2.980 12.599 64 2HE LYS 7 3HE LYS 7 0.968 1.737 13.816 65 1HZ LYS 7 1HZ LYS 7 2.200 4.434 13.835 66 2HZ LYS 7 2HZ LYS 7 0.759 4.116 14.526 67 3HZ LYS 7 3HZ LYS 7 2.108 3.382 15.120 68 H TYR 8 HN TYR 8 2.218 -2.294 8.905 69 HA TYR 8 HA TYR 8 4.242 -3.481 10.760 70 1HB TYR 8 2HB TYR 8 1.657 -2.743 11.509 71 2HB TYR 8 3HB TYR 8 1.380 -4.372 10.956 72 HD1 TYR 8 HD1 TYR 8 3.024 -2.173 13.397 73 HD2 TYR 8 HD2 TYR 8 2.370 -6.284 12.222 74 HE1 TYR 8 HE1 TYR 8 3.863 -2.918 15.588 75 HE2 TYR 8 HE2 TYR 8 3.249 -7.042 14.424 76 HH TYR 8 HH TYR 8 3.623 -5.064 17.049 77 H GLY 9 HN GLY 9 3.957 -3.519 7.802 78 1HA GLY 9 1HA GLY 9 4.063 -5.024 6.075 79 2HA GLY 9 2HA GLY 9 4.234 -6.332 7.248 80 H THR 10 HN THR 10 2.472 -7.454 7.765 81 HA THR 10 HA THR 10 0.396 -7.220 5.683 82 HB THR 10 HB THR 10 -0.172 -9.609 6.461 83 HG1 THR 10 HG1 THR 10 1.418 -9.194 8.378 84 1HG2 THR 10 1HG2 THR 10 2.524 -8.910 5.182 85 2HG2 THR 10 2HG2 THR 10 1.675 -10.477 5.066 86 3HG2 THR 10 3HG2 THR 10 0.958 -9.028 4.343 87 H ASP 11 HN ASP 11 -0.872 -5.440 6.571 88 HA ASP 11 HA ASP 11 -3.030 -6.654 8.061 89 1HB ASP 11 2HB ASP 11 -1.214 -5.556 9.700 90 2HB ASP 11 3HB ASP 11 -2.051 -4.072 9.317 91 H HIS 12 HN HIS 12 -3.027 -5.658 5.309 92 HA HIS 12 HA HIS 12 -5.283 -3.961 5.285 93 1HB HIS 12 2HB HIS 12 -4.448 -1.877 4.770 94 2HB HIS 12 3HB HIS 12 -3.112 -2.401 5.724 95 HD1 HIS 12 HD1 HIS 12 -1.939 -4.319 3.119 96 HD2 HIS 12 HD2 HIS 12 -2.853 -0.207 3.323 97 HE1 HIS 12 HE1 HIS 12 -0.581 -3.194 1.353 98 HA PRO 13 HA PRO 13 -5.659 -5.798 1.316 99 1HB PRO 13 2HB PRO 13 -6.797 -3.889 -0.313 100 2HB PRO 13 3HB PRO 13 -7.617 -4.700 1.038 101 1HG PRO 13 2HG PRO 13 -6.333 -1.959 0.992 102 2HG PRO 13 3HG PRO 13 -7.950 -2.415 1.624 103 1HD PRO 13 2HD PRO 13 -5.713 -2.152 3.164 104 2HD PRO 13 3HD PRO 13 -7.020 -3.312 3.569 105 H VAL 14 HN VAL 14 -4.693 -5.939 -0.963 106 HA VAL 14 HA VAL 14 -3.754 -4.459 -2.605 107 HB VAL 14 HB VAL 14 -1.693 -4.500 -0.439 108 1HG1 VAL 14 1HG1 VAL 14 -0.836 -4.591 -3.345 109 2HG1 VAL 14 2HG1 VAL 14 0.197 -3.977 -2.040 110 3HG1 VAL 14 3HG1 VAL 14 -0.345 -5.639 -1.994 111 1HG2 VAL 14 1HG2 VAL 14 -1.339 -2.294 -2.344 112 2HG2 VAL 14 2HG2 VAL 14 -3.031 -2.432 -1.890 113 3HG2 VAL 14 3HG2 VAL 14 -1.805 -2.232 -0.650 114 H GLU 15 HN GLU 15 -2.954 -7.264 -0.681 115 HA GLU 15 HA GLU 15 -3.151 -8.877 -3.199 116 1HB GLU 15 2HB GLU 15 -0.669 -8.926 -1.404 117 2HB GLU 15 3HB GLU 15 -1.064 -10.198 -2.500 118 1HG GLU 15 2HG GLU 15 -1.240 -8.358 -4.306 119 2HG GLU 15 3HG GLU 15 -0.389 -7.335 -3.183 120 H LYS 16 HN LYS 16 -4.669 -8.506 -0.627 121 HA LYS 16 HA LYS 16 -5.508 -11.156 -0.475 122 1HB LYS 16 2HB LYS 16 -3.306 -11.225 0.922 123 2HB LYS 16 3HB LYS 16 -4.261 -10.459 2.196 124 1HG LYS 16 2HG LYS 16 -4.863 -12.625 2.707 125 2HG LYS 16 3HG LYS 16 -6.027 -12.415 1.412 126 1HD LYS 16 2HD LYS 16 -4.330 -13.326 -0.226 127 2HD LYS 16 3HD LYS 16 -3.237 -13.569 1.145 128 1HE LYS 16 2HE LYS 16 -5.538 -14.794 2.027 129 2HE LYS 16 3HE LYS 16 -5.608 -15.140 0.293 130 1HZ LYS 16 1HZ LYS 16 -4.350 -16.869 1.535 131 2HZ LYS 16 2HZ LYS 16 -3.305 -16.043 0.537 132 3HZ LYS 16 3HZ LYS 16 -3.356 -15.719 2.134 133 H LEU 17 HN LEU 17 -5.334 -8.635 2.150 134 HA LEU 17 HA LEU 17 -7.916 -9.043 2.882 135 1HB LEU 17 2HB LEU 17 -5.865 -7.299 3.648 136 2HB LEU 17 3HB LEU 17 -7.171 -6.190 3.325 137 HG LEU 17 HG LEU 17 -7.255 -6.764 5.604 138 1HD1 LEU 17 1HD1 LEU 17 -9.486 -6.795 4.393 139 2HD1 LEU 17 2HD1 LEU 17 -9.424 -8.568 4.449 140 3HD1 LEU 17 3HD1 LEU 17 -9.438 -7.629 5.955 141 1HD2 LEU 17 1HD2 LEU 17 -5.878 -8.814 5.486 142 2HD2 LEU 17 2HD2 LEU 17 -7.290 -9.001 6.523 143 3HD2 LEU 17 3HD2 LEU 17 -7.277 -9.736 4.905 144 H LYS 18 HN LYS 18 -6.798 -7.026 0.344 145 HA LYS 18 HA LYS 18 -8.946 -5.638 -0.672 146 1HB LYS 18 2HB LYS 18 -7.896 -5.963 -2.902 147 2HB LYS 18 3HB LYS 18 -6.766 -5.458 -1.681 148 1HG LYS 18 2HG LYS 18 -5.438 -7.138 -2.253 149 2HG LYS 18 3HG LYS 18 -6.577 -8.265 -1.551 150 1HD LYS 18 2HD LYS 18 -7.803 -8.102 -3.824 151 2HD LYS 18 3HD LYS 18 -6.206 -7.394 -4.348 152 1HE LYS 18 2HE LYS 18 -5.119 -9.454 -3.515 153 2HE LYS 18 3HE LYS 18 -6.723 -10.111 -3.140 154 1HZ LYS 18 1HZ LYS 18 -5.560 -9.454 -5.768 155 2HZ LYS 18 2HZ LYS 18 -5.995 -10.924 -5.270 156 3HZ LYS 18 3HZ LYS 18 -7.147 -9.831 -5.676 157 H ILE 19 HN ILE 19 -8.313 -9.119 -1.218 158 HA ILE 19 HA ILE 19 -10.406 -9.387 -3.132 159 HB ILE 19 HB ILE 19 -8.226 -10.871 -2.009 160 1HG1 ILE 19 2HG1 ILE 19 -9.957 -11.824 -4.306 161 2HG1 ILE 19 3HG1 ILE 19 -8.838 -10.464 -4.425 162 1HG2 ILE 19 1HG2 ILE 19 -9.851 -12.127 -0.602 163 2HG2 ILE 19 2HG2 ILE 19 -10.635 -12.696 -2.079 164 3HG2 ILE 19 3HG2 ILE 19 -8.941 -13.107 -1.742 165 1HD1 ILE 19 1HD1 ILE 19 -7.013 -12.029 -3.481 166 2HD1 ILE 19 2HD1 ILE 19 -8.146 -13.364 -3.808 167 3HD1 ILE 19 3HD1 ILE 19 -7.580 -12.361 -5.147 168 H ARG 20 HN ARG 20 -10.201 -9.551 0.321 169 HA ARG 20 HA ARG 20 -12.852 -10.659 0.681 170 1HB ARG 20 2HB ARG 20 -11.006 -9.312 2.718 171 2HB ARG 20 3HB ARG 20 -12.484 -10.224 3.046 172 1HG ARG 20 2HG ARG 20 -10.949 -11.865 3.363 173 2HG ARG 20 3HG ARG 20 -11.321 -12.132 1.638 174 1HD ARG 20 2HD ARG 20 -9.158 -11.002 1.084 175 2HD ARG 20 3HD ARG 20 -8.887 -10.774 2.830 176 HE ARG 20 HE ARG 20 -8.989 -13.316 1.286 177 1HH1 ARG 20 2HH2 ARG 20 -8.325 -11.874 4.519 178 2HH1 ARG 20 1HH2 ARG 20 -7.280 -13.185 4.933 179 1HH2 ARG 20 2HH1 ARG 20 -8.017 -15.101 2.090 180 2HH2 ARG 20 1HH1 ARG 20 -7.192 -15.078 3.598 181 H SER 21 HN SER 21 -11.489 -7.327 0.749 182 HA SER 21 HA SER 21 -14.202 -6.254 0.320 183 1HB SER 21 2HB SER 21 -14.102 -6.436 2.742 184 2HB SER 21 3HB SER 21 -12.516 -5.687 2.791 185 HG SER 21 HG SER 21 -14.859 -4.332 1.897 186 H ALA 22 HN ALA 22 -13.199 -5.855 -1.761 187 HA ALA 22 HA ALA 22 -12.620 -3.226 -2.208 188 1HB ALA 22 1HB ALA 22 -10.218 -3.741 -1.415 189 2HB ALA 22 2HB ALA 22 -10.138 -4.975 -2.700 190 3HB ALA 22 3HB ALA 22 -10.344 -3.291 -3.103 191 H LYS 23 HN LYS 23 -11.771 -2.982 -4.582 192 HA LYS 23 HA LYS 23 -12.494 -5.114 -6.427 193 1HB LYS 23 2HB LYS 23 -14.415 -3.203 -5.609 194 2HB LYS 23 3HB LYS 23 -13.688 -2.451 -6.974 195 1HG LYS 23 2HG LYS 23 -15.558 -3.397 -7.868 196 2HG LYS 23 3HG LYS 23 -14.323 -4.591 -8.317 197 1HD LYS 23 2HD LYS 23 -16.077 -4.746 -5.791 198 2HD LYS 23 3HD LYS 23 -16.526 -5.529 -7.350 199 1HE LYS 23 2HE LYS 23 -14.457 -6.862 -7.291 200 2HE LYS 23 3HE LYS 23 -13.923 -5.919 -5.877 201 1HZ LYS 23 1HZ LYS 23 -15.774 -6.808 -4.648 202 2HZ LYS 23 2HZ LYS 23 -16.176 -7.807 -5.873 203 3HZ LYS 23 3HZ LYS 23 -14.745 -7.981 -5.074 204 H ALA 24 HN ALA 24 -12.418 -3.804 -8.700 205 HA ALA 24 HA ALA 24 -9.655 -2.970 -9.001 206 1HB ALA 24 1HB ALA 24 -11.041 -3.834 -10.921 207 2HB ALA 24 2HB ALA 24 -12.041 -2.354 -10.826 208 3HB ALA 24 3HB ALA 24 -10.311 -2.245 -11.240 209 H GLU 25 HN GLU 25 -12.815 -1.329 -8.504 210 HA GLU 25 HA GLU 25 -11.710 1.304 -8.737 211 1HB GLU 25 2HB GLU 25 -14.194 0.045 -9.012 212 2HB GLU 25 3HB GLU 25 -14.354 0.863 -7.452 213 1HG GLU 25 2HG GLU 25 -14.257 3.000 -8.465 214 2HG GLU 25 3HG GLU 25 -13.277 2.415 -9.820 215 H ASP 26 HN ASP 26 -10.298 -0.017 -6.871 216 HA ASP 26 HA ASP 26 -11.159 1.292 -4.370 217 1HB ASP 26 2HB ASP 26 -11.170 -1.246 -4.636 218 2HB ASP 26 3HB ASP 26 -9.443 -1.182 -4.685 219 H LYS 27 HN LYS 27 -9.168 1.973 -2.945 220 HA LYS 27 HA LYS 27 -6.792 2.611 -4.576 221 1HB LYS 27 2HB LYS 27 -8.451 4.595 -2.964 222 2HB LYS 27 3HB LYS 27 -6.932 4.917 -3.777 223 1HG LYS 27 2HG LYS 27 -8.375 5.773 -5.351 224 2HG LYS 27 3HG LYS 27 -8.244 4.157 -5.949 225 1HD LYS 27 2HD LYS 27 -10.444 3.611 -4.992 226 2HD LYS 27 3HD LYS 27 -10.505 5.121 -4.115 227 1HE LYS 27 2HE LYS 27 -10.173 5.193 -7.120 228 2HE LYS 27 3HE LYS 27 -11.744 4.726 -6.456 229 1HZ LYS 27 1HZ LYS 27 -11.936 6.775 -5.341 230 2HZ LYS 27 2HZ LYS 27 -10.431 7.272 -5.712 231 3HZ LYS 27 3HZ LYS 27 -11.559 7.137 -6.883 232 H ILE 28 HN ILE 28 -4.838 2.546 -3.397 233 HA ILE 28 HA ILE 28 -4.831 2.404 -0.486 234 HB ILE 28 HB ILE 28 -3.797 0.041 -2.100 235 1HG1 ILE 28 2HG1 ILE 28 -6.439 -0.140 -0.638 236 2HG1 ILE 28 3HG1 ILE 28 -6.341 0.081 -2.392 237 1HG2 ILE 28 1HG2 ILE 28 -4.394 0.632 0.862 238 2HG2 ILE 28 2HG2 ILE 28 -4.095 -1.008 0.331 239 3HG2 ILE 28 3HG2 ILE 28 -2.839 0.163 0.131 240 1HD1 ILE 28 1HD1 ILE 28 -6.673 -2.205 -1.696 241 2HD1 ILE 28 2HD1 ILE 28 -5.279 -1.929 -2.789 242 3HD1 ILE 28 3HD1 ILE 28 -5.045 -2.238 -1.058 243 H VAL 29 HN VAL 29 -2.655 2.201 0.316 244 HA VAL 29 HA VAL 29 -0.403 2.433 -1.442 245 HB VAL 29 HB VAL 29 -1.217 4.632 0.467 246 1HG1 VAL 29 1HG1 VAL 29 0.979 5.755 -0.090 247 2HG1 VAL 29 2HG1 VAL 29 1.197 4.294 0.842 248 3HG1 VAL 29 3HG1 VAL 29 1.499 4.274 -0.916 249 1HG2 VAL 29 1HG2 VAL 29 -0.617 6.029 -1.692 250 2HG2 VAL 29 2HG2 VAL 29 -0.801 4.479 -2.508 251 3HG2 VAL 29 3HG2 VAL 29 -2.160 5.158 -1.604 252 H LEU 30 HN LEU 30 1.538 1.908 -0.219 253 HA LEU 30 HA LEU 30 1.105 0.612 2.480 254 1HB LEU 30 2HB LEU 30 3.631 -0.084 1.209 255 2HB LEU 30 3HB LEU 30 2.417 -1.133 1.850 256 HG LEU 30 HG LEU 30 2.531 -0.072 -0.971 257 1HD1 LEU 30 1HD1 LEU 30 3.017 -2.505 -1.472 258 2HD1 LEU 30 2HD1 LEU 30 4.320 -1.593 -0.694 259 3HD1 LEU 30 3HD1 LEU 30 3.349 -2.702 0.255 260 1HD2 LEU 30 1HD2 LEU 30 0.802 -1.590 -1.589 261 2HD2 LEU 30 2HD2 LEU 30 0.764 -2.307 0.034 262 3HD2 LEU 30 3HD2 LEU 30 0.164 -0.668 -0.224 263 H ILE 31 HN ILE 31 2.546 1.077 4.185 264 HA ILE 31 HA ILE 31 4.659 3.069 3.627 265 HB ILE 31 HB ILE 31 4.051 4.503 5.158 266 1HG1 ILE 31 2HG1 ILE 31 2.044 2.754 6.565 267 2HG1 ILE 31 3HG1 ILE 31 3.662 2.662 7.000 268 1HG2 ILE 31 1HG2 ILE 31 1.239 3.614 4.425 269 2HG2 ILE 31 2HG2 ILE 31 1.775 5.238 4.867 270 3HG2 ILE 31 3HG2 ILE 31 2.316 4.524 3.353 271 1HD1 ILE 31 1HD1 ILE 31 2.560 4.269 8.451 272 2HD1 ILE 31 2HD1 ILE 31 3.798 5.093 7.448 273 3HD1 ILE 31 3HD1 ILE 31 2.087 5.246 7.051 274 H GLN 32 HN GLN 32 5.845 3.303 5.795 275 HA GLN 32 HA GLN 32 7.627 2.362 6.717 276 1HB GLN 32 2HB GLN 32 5.467 1.413 8.532 277 2HB GLN 32 3HB GLN 32 7.138 1.689 8.975 278 1HG GLN 32 2HG GLN 32 5.994 4.068 7.611 279 2HG GLN 32 3HG GLN 32 4.983 3.571 8.918 280 1HE2 GLN 32 1HE2 GLN 32 7.947 5.045 7.949 281 2HE2 GLN 32 2HE2 GLN 32 8.510 5.559 9.523 282 H ASN 33 HN ASN 33 5.863 -0.378 7.980 283 HA ASN 33 HA ASN 33 7.773 -2.243 6.628 284 1HB ASN 33 2HB ASN 33 5.782 -3.066 8.790 285 2HB ASN 33 3HB ASN 33 7.225 -3.836 8.225 286 1HD2 ASN 33 1HD2 ASN 33 6.084 -1.569 10.659 287 2HD2 ASN 33 2HD2 ASN 33 7.697 -1.139 11.175 288 H GLY 34 HN GLY 34 4.509 -1.152 6.419 289 1HA GLY 34 1HA GLY 34 3.005 -3.220 5.299 290 2HA GLY 34 2HA GLY 34 2.949 -1.493 4.960 291 H VAL 35 HN VAL 35 5.821 -1.432 4.048 292 HA VAL 35 HA VAL 35 5.479 -1.653 1.307 293 HB VAL 35 HB VAL 35 7.938 -1.663 1.294 294 1HG1 VAL 35 1HG1 VAL 35 6.933 0.389 3.290 295 2HG1 VAL 35 2HG1 VAL 35 8.176 0.576 2.032 296 3HG1 VAL 35 3HG1 VAL 35 6.486 0.427 1.571 297 1HG2 VAL 35 1HG2 VAL 35 7.782 -1.812 4.303 298 2HG2 VAL 35 2HG2 VAL 35 8.496 -3.000 3.233 299 3HG2 VAL 35 3HG2 VAL 35 9.220 -1.394 3.348 300 H PHE 36 HN PHE 36 6.101 -4.290 3.628 301 HA PHE 36 HA PHE 36 7.061 -6.295 1.971 302 1HB PHE 36 2HB PHE 36 5.070 -6.248 4.265 303 2HB PHE 36 3HB PHE 36 5.476 -7.729 3.439 304 HD1 PHE 36 HD1 PHE 36 6.223 -8.843 5.367 305 HD2 PHE 36 HD2 PHE 36 8.173 -5.189 4.140 306 HE1 PHE 36 HE1 PHE 36 8.105 -9.331 6.889 307 HE2 PHE 36 HE2 PHE 36 10.043 -5.706 5.662 308 HZ PHE 36 HZ PHE 36 10.005 -7.728 7.077 309 H TRP 37 HN TRP 37 3.820 -4.853 1.903 310 HA TRP 37 HA TRP 37 2.550 -7.056 0.572 311 1HB TRP 37 2HB TRP 37 1.817 -4.134 0.718 312 2HB TRP 37 3HB TRP 37 0.870 -5.314 -0.152 313 HD1 TRP 37 HD1 TRP 37 1.402 -3.930 3.216 314 HE1 TRP 37 HE1 TRP 37 0.009 -5.092 4.925 315 HE3 TRP 37 HE3 TRP 37 -0.348 -7.669 0.276 316 HZ2 TRP 37 HZ2 TRP 37 -2.041 -7.331 4.933 317 HZ3 TRP 37 HZ3 TRP 37 -2.142 -9.202 1.068 318 HH2 TRP 37 HH2 TRP 37 -3.050 -8.977 3.404 319 H ALA 38 HN ALA 38 4.881 -4.806 -0.686 320 HA ALA 38 HA ALA 38 4.000 -5.270 -3.507 321 1HB ALA 38 1HB ALA 38 6.211 -3.541 -2.403 322 2HB ALA 38 2HB ALA 38 5.663 -3.622 -4.091 323 3HB ALA 38 3HB ALA 38 4.594 -2.936 -2.873 324 H LEU 39 HN LEU 39 4.758 -7.510 -1.949 325 HA LEU 39 HA LEU 39 6.488 -8.716 -3.838 326 1HB LEU 39 2HB LEU 39 8.423 -9.207 -2.298 327 2HB LEU 39 3HB LEU 39 8.244 -7.664 -3.101 328 HG LEU 39 HG LEU 39 7.238 -6.787 -0.823 329 1HD1 LEU 39 1HD1 LEU 39 8.763 -9.242 0.110 330 2HD1 LEU 39 2HD1 LEU 39 8.256 -7.880 1.139 331 3HD1 LEU 39 3HD1 LEU 39 7.051 -8.904 0.354 332 1HD2 LEU 39 1HD2 LEU 39 10.132 -7.355 -1.356 333 2HD2 LEU 39 2HD2 LEU 39 9.190 -5.971 -1.919 334 3HD2 LEU 39 3HD2 LEU 39 9.493 -6.168 -0.181 335 H GLU 40 HN GLU 40 3.920 -9.226 -2.793 336 HA GLU 40 HA GLU 40 4.204 -11.697 -1.215 337 1HB GLU 40 2HB GLU 40 1.908 -9.799 -1.744 338 2HB GLU 40 3HB GLU 40 1.728 -11.325 -0.870 339 1HG GLU 40 2HG GLU 40 3.708 -9.182 -0.090 340 2HG GLU 40 3HG GLU 40 2.017 -9.115 0.391 341 H GLU 41 HN GLU 41 1.786 -12.882 -2.099 342 HA GLU 41 HA GLU 41 2.681 -13.804 -4.758 343 1HB GLU 41 2HB GLU 41 2.037 -16.011 -4.138 344 2HB GLU 41 3HB GLU 41 3.319 -15.380 -3.124 345 1HG GLU 41 2HG GLU 41 0.404 -15.471 -2.278 346 2HG GLU 41 3HG GLU 41 1.548 -16.762 -1.953 347 H LEU 42 HN LEU 42 1.030 -11.751 -4.865 348 HA LEU 42 HA LEU 42 -1.280 -12.727 -6.320 349 1HB LEU 42 2HB LEU 42 -1.265 -12.101 -3.484 350 2HB LEU 42 3HB LEU 42 -2.290 -10.923 -4.261 351 HG LEU 42 HG LEU 42 -2.825 -13.654 -5.283 352 1HD1 LEU 42 1HD1 LEU 42 -3.398 -13.382 -2.325 353 2HD1 LEU 42 2HD1 LEU 42 -3.549 -14.806 -3.385 354 3HD1 LEU 42 3HD1 LEU 42 -1.960 -14.175 -2.947 355 1HD2 LEU 42 1HD2 LEU 42 -4.393 -11.834 -5.514 356 2HD2 LEU 42 2HD2 LEU 42 -5.126 -13.151 -4.565 357 3HD2 LEU 42 3HD2 LEU 42 -4.556 -11.724 -3.715 358 H GLU 43 HN GLU 43 -2.614 -10.114 -5.830 359 HA GLU 43 HA GLU 43 -1.086 -7.901 -6.445 360 1HB GLU 43 2HB GLU 43 -1.965 -7.307 -8.638 361 2HB GLU 43 3HB GLU 43 -0.940 -8.726 -8.743 362 1HG GLU 43 2HG GLU 43 -2.807 -10.187 -9.079 363 2HG GLU 43 3HG GLU 43 -3.953 -8.941 -8.590 364 H THR 44 HN THR 44 -2.897 -6.136 -7.076 365 HA THR 44 HA THR 44 -5.676 -6.877 -6.392 366 HB THR 44 HB THR 44 -4.897 -5.670 -4.421 367 HG1 THR 44 HG1 THR 44 -6.722 -4.286 -4.436 368 1HG2 THR 44 1HG2 THR 44 -3.384 -4.240 -5.592 369 2HG2 THR 44 2HG2 THR 44 -4.729 -3.346 -6.301 370 3HG2 THR 44 3HG2 THR 44 -4.535 -3.373 -4.525 371 HA PRO 45 HA PRO 45 -6.117 -4.684 -10.247 372 1HB PRO 45 2HB PRO 45 -8.827 -4.481 -10.315 373 2HB PRO 45 3HB PRO 45 -7.927 -5.921 -10.791 374 1HG PRO 45 2HG PRO 45 -9.552 -5.385 -8.342 375 2HG PRO 45 3HG PRO 45 -9.181 -6.953 -9.137 376 1HD PRO 45 2HD PRO 45 -7.975 -5.773 -6.880 377 2HD PRO 45 3HD PRO 45 -7.390 -7.236 -7.737 378 H ALA 46 HN ALA 46 -6.690 -3.396 -7.163 379 HA ALA 46 HA ALA 46 -7.761 -0.796 -7.766 380 1HB ALA 46 1HB ALA 46 -7.784 -2.053 -5.620 381 2HB ALA 46 2HB ALA 46 -6.042 -1.766 -5.447 382 3HB ALA 46 3HB ALA 46 -7.133 -0.409 -5.435 383 H LYS 47 HN LYS 47 -6.234 1.281 -6.959 384 HA LYS 47 HA LYS 47 -3.747 1.060 -8.471 385 1HB LYS 47 2HB LYS 47 -3.434 3.342 -7.694 386 2HB LYS 47 3HB LYS 47 -4.703 3.118 -8.899 387 1HG LYS 47 2HG LYS 47 -6.348 3.643 -7.463 388 2HG LYS 47 3HG LYS 47 -5.510 3.118 -6.036 389 1HD LYS 47 2HD LYS 47 -5.824 5.545 -5.965 390 2HD LYS 47 3HD LYS 47 -4.159 4.986 -5.948 391 1HE LYS 47 2HE LYS 47 -3.952 6.753 -7.432 392 2HE LYS 47 3HE LYS 47 -4.257 5.443 -8.562 393 1HZ LYS 47 1HZ LYS 47 -5.538 7.355 -9.080 394 2HZ LYS 47 2HZ LYS 47 -6.595 6.187 -8.610 395 3HZ LYS 47 3HZ LYS 47 -6.218 7.443 -7.611 396 H VAL 48 HN VAL 48 -1.938 0.227 -7.308 397 HA VAL 48 HA VAL 48 -1.861 0.684 -4.449 398 HB VAL 48 HB VAL 48 -0.379 -1.258 -4.613 399 1HG1 VAL 48 1HG1 VAL 48 -2.163 -2.909 -4.593 400 2HG1 VAL 48 2HG1 VAL 48 -2.847 -1.382 -3.989 401 3HG1 VAL 48 3HG1 VAL 48 -3.146 -1.863 -5.660 402 1HG2 VAL 48 1HG2 VAL 48 -1.431 -1.753 -7.409 403 2HG2 VAL 48 2HG2 VAL 48 0.229 -1.264 -6.975 404 3HG2 VAL 48 3HG2 VAL 48 -0.407 -2.839 -6.450 405 H TYR 49 HN TYR 49 0.077 1.308 -3.755 406 HA TYR 49 HA TYR 49 2.314 1.978 -5.433 407 1HB TYR 49 2HB TYR 49 0.630 4.037 -3.969 408 2HB TYR 49 3HB TYR 49 2.184 4.348 -4.685 409 HD1 TYR 49 HD1 TYR 49 2.446 4.162 -7.150 410 HD2 TYR 49 HD2 TYR 49 -1.546 4.223 -5.398 411 HE1 TYR 49 HE1 TYR 49 1.554 5.108 -9.201 412 HE2 TYR 49 HE2 TYR 49 -2.356 5.225 -7.429 413 HH TYR 49 HH TYR 49 -0.319 6.389 -9.975 414 H ALA 50 HN ALA 50 4.076 2.694 -3.781 415 HA ALA 50 HA ALA 50 3.399 2.045 -0.922 416 1HB ALA 50 1HB ALA 50 5.292 0.778 -0.587 417 2HB ALA 50 2HB ALA 50 4.664 0.134 -2.120 418 3HB ALA 50 3HB ALA 50 6.031 1.257 -2.110 419 H ILE 51 HN ILE 51 4.821 3.316 0.502 420 HA ILE 51 HA ILE 51 5.804 5.842 -0.634 421 HB ILE 51 HB ILE 51 5.797 4.602 2.163 422 1HG1 ILE 51 2HG1 ILE 51 3.599 5.191 1.683 423 2HG1 ILE 51 3HG1 ILE 51 4.269 6.455 2.712 424 1HG2 ILE 51 1HG2 ILE 51 6.522 7.507 1.570 425 2HG2 ILE 51 2HG2 ILE 51 6.712 6.555 3.064 426 3HG2 ILE 51 3HG2 ILE 51 7.763 6.261 1.710 427 1HD1 ILE 51 1HD1 ILE 51 3.604 6.563 -0.260 428 2HD1 ILE 51 2HD1 ILE 51 2.929 7.534 1.062 429 3HD1 ILE 51 3HD1 ILE 51 4.598 7.802 0.525 430 H LYS 52 HN LYS 52 7.547 6.053 -1.627 431 HA LYS 52 HA LYS 52 9.550 4.093 -1.756 432 1HB LYS 52 2HB LYS 52 8.973 5.954 -3.405 433 2HB LYS 52 3HB LYS 52 9.871 7.078 -2.385 434 1HG LYS 52 2HG LYS 52 11.931 5.964 -2.813 435 2HG LYS 52 3HG LYS 52 11.146 4.450 -3.221 436 1HD LYS 52 2HD LYS 52 11.812 5.055 -5.255 437 2HD LYS 52 3HD LYS 52 10.195 5.732 -5.312 438 1HE LYS 52 2HE LYS 52 10.976 7.956 -5.097 439 2HE LYS 52 3HE LYS 52 12.500 7.434 -4.379 440 1HZ LYS 52 1HZ LYS 52 11.793 7.181 -7.240 441 2HZ LYS 52 2HZ LYS 52 13.108 7.941 -6.548 442 3HZ LYS 52 3HZ LYS 52 13.030 6.340 -6.553 443 H ASP 53 HN ASP 53 9.673 7.153 0.127 444 HA ASP 53 HA ASP 53 12.249 6.673 1.124 445 1HB ASP 53 2HB ASP 53 10.892 8.749 1.251 446 2HB ASP 53 3HB ASP 53 10.009 8.055 2.622 447 H ASP 54 HN ASP 54 9.103 5.537 2.522 448 HA ASP 54 HA ASP 54 10.242 4.211 4.745 449 1HB ASP 54 2HB ASP 54 7.679 3.950 3.173 450 2HB ASP 54 3HB ASP 54 8.115 2.691 4.314 451 H PHE 55 HN PHE 55 9.566 3.034 1.393 452 HA PHE 55 HA PHE 55 10.333 0.331 1.763 453 1HB PHE 55 2HB PHE 55 9.377 1.903 -0.316 454 2HB PHE 55 3HB PHE 55 10.996 1.623 -0.837 455 HD1 PHE 55 HD1 PHE 55 7.679 0.328 -0.495 456 HD2 PHE 55 HD2 PHE 55 11.729 -0.812 -1.305 457 HE1 PHE 55 HE1 PHE 55 6.895 -1.897 -1.202 458 HE2 PHE 55 HE2 PHE 55 10.956 -3.063 -2.037 459 HZ PHE 55 HZ PHE 55 8.547 -3.635 -1.935 460 H LEU 56 HN LEU 56 12.231 3.175 0.867 461 HA LEU 56 HA LEU 56 14.778 1.899 0.588 462 1HB LEU 56 2HB LEU 56 13.986 4.774 1.215 463 2HB LEU 56 3HB LEU 56 15.605 4.267 0.761 464 HG LEU 56 HG LEU 56 13.161 3.849 -1.052 465 1HD1 LEU 56 1HD1 LEU 56 13.420 6.243 -0.691 466 2HD1 LEU 56 2HD1 LEU 56 15.182 6.157 -0.894 467 3HD1 LEU 56 3HD1 LEU 56 14.118 5.871 -2.281 468 1HD2 LEU 56 1HD2 LEU 56 14.846 3.602 -2.819 469 2HD2 LEU 56 2HD2 LEU 56 16.169 3.958 -1.688 470 3HD2 LEU 56 3HD2 LEU 56 15.231 2.464 -1.531 471 H ALA 57 HN ALA 57 13.111 3.525 3.322 472 HA ALA 57 HA ALA 57 15.303 3.135 5.128 473 1HB ALA 57 1HB ALA 57 13.677 3.790 6.881 474 2HB ALA 57 2HB ALA 57 13.614 4.908 5.518 475 3HB ALA 57 3HB ALA 57 12.355 3.670 5.705 476 H ARG 58 HN ARG 58 13.254 0.906 3.690 477 HA ARG 58 HA ARG 58 13.463 -0.991 6.027 478 1HB ARG 58 2HB ARG 58 11.358 -0.317 4.169 479 2HB ARG 58 3HB ARG 58 11.827 -1.881 3.751 480 1HG ARG 58 2HG ARG 58 11.300 -1.214 6.667 481 2HG ARG 58 3HG ARG 58 9.985 -1.369 5.537 482 1HD ARG 58 2HD ARG 58 10.030 -3.453 6.383 483 2HD ARG 58 3HD ARG 58 10.873 -3.648 4.863 484 HE ARG 58 HE ARG 58 12.039 -3.452 7.630 485 1HH1 ARG 58 2HH2 ARG 58 13.091 -4.409 4.388 486 2HH1 ARG 58 1HH2 ARG 58 13.574 -6.008 4.814 487 1HH2 ARG 58 2HH1 ARG 58 12.974 -5.467 8.289 488 2HH2 ARG 58 1HH1 ARG 58 13.868 -6.396 7.126 489 H GLY 59 HN GLY 59 15.680 -0.158 4.242 490 1HA GLY 59 1HA GLY 59 17.448 -1.101 3.157 491 2HA GLY 59 2HA GLY 59 17.067 -2.551 4.094 492 H TYR 60 HN TYR 60 14.972 -1.112 1.534 493 HA TYR 60 HA TYR 60 15.480 -3.451 -0.236 494 1HB TYR 60 2HB TYR 60 12.970 -1.871 0.423 495 2HB TYR 60 3HB TYR 60 13.165 -2.590 -1.158 496 HD1 TYR 60 HD1 TYR 60 12.374 -3.297 2.320 497 HD2 TYR 60 HD2 TYR 60 13.068 -4.933 -1.547 498 HE1 TYR 60 HE1 TYR 60 11.423 -5.498 3.080 499 HE2 TYR 60 HE2 TYR 60 12.315 -7.170 -0.780 500 HH TYR 60 HH TYR 60 11.304 -8.329 0.901 501 H SER 61 HN SER 61 14.964 -2.770 -2.614 502 HA SER 61 HA SER 61 15.916 -0.025 -3.200 503 1HB SER 61 2HB SER 61 17.775 -1.535 -3.503 504 2HB SER 61 3HB SER 61 16.786 -2.636 -4.454 505 HG SER 61 HG SER 61 17.121 -1.471 -6.134 506 H GLU 62 HN GLU 62 15.313 0.160 -5.800 507 HA GLU 62 HA GLU 62 12.468 0.387 -5.361 508 1HB GLU 62 2HB GLU 62 14.226 1.254 -7.699 509 2HB GLU 62 3HB GLU 62 12.474 1.513 -7.616 510 1HG GLU 62 2HG GLU 62 12.879 2.704 -5.369 511 2HG GLU 62 3HG GLU 62 14.591 2.624 -5.736 512 H GLU 63 HN GLU 63 14.488 -1.604 -7.551 513 HA GLU 63 HA GLU 63 12.227 -2.451 -9.165 514 1HB GLU 63 2HB GLU 63 15.106 -3.204 -9.002 515 2HB GLU 63 3HB GLU 63 13.968 -4.072 -10.018 516 1HG GLU 63 2HG GLU 63 13.385 -1.913 -11.143 517 2HG GLU 63 3HG GLU 63 14.611 -1.092 -10.167 518 H ASP 64 HN ASP 64 13.621 -3.235 -6.172 519 HA ASP 64 HA ASP 64 12.652 -5.951 -5.866 520 1HB ASP 64 2HB ASP 64 13.722 -3.908 -3.910 521 2HB ASP 64 3HB ASP 64 12.994 -5.450 -3.453 522 H SER 65 HN SER 65 10.941 -2.927 -6.037 523 HA SER 65 HA SER 65 8.827 -4.030 -4.313 524 1HB SER 65 2HB SER 65 9.617 -1.593 -4.079 525 2HB SER 65 3HB SER 65 8.950 -1.268 -5.656 526 HG SER 65 HG SER 65 7.729 -1.760 -3.261 527 H LYS 66 HN LYS 66 7.129 -5.060 -5.404 528 HA LYS 66 HA LYS 66 6.943 -4.625 -8.350 529 1HB LYS 66 2HB LYS 66 5.426 -6.476 -8.389 530 2HB LYS 66 3HB LYS 66 6.922 -6.852 -7.503 531 1HG LYS 66 2HG LYS 66 5.957 -7.253 -5.594 532 2HG LYS 66 3HG LYS 66 4.710 -6.003 -5.740 533 1HD LYS 66 2HD LYS 66 3.205 -7.426 -6.665 534 2HD LYS 66 3HD LYS 66 4.407 -8.371 -7.543 535 1HE LYS 66 2HE LYS 66 4.113 -8.531 -4.486 536 2HE LYS 66 3HE LYS 66 3.166 -9.509 -5.580 537 1HZ LYS 66 1HZ LYS 66 5.059 -10.727 -4.979 538 2HZ LYS 66 2HZ LYS 66 5.254 -10.356 -6.559 539 3HZ LYS 66 3HZ LYS 66 6.148 -9.583 -5.444 540 H VAL 67 HN VAL 67 6.297 -2.295 -6.677 541 HA VAL 67 HA VAL 67 3.865 -1.694 -8.143 542 HB VAL 67 HB VAL 67 2.557 -0.887 -6.313 543 1HG1 VAL 67 1HG1 VAL 67 2.346 -3.310 -6.508 544 2HG1 VAL 67 2HG1 VAL 67 3.648 -3.552 -5.342 545 3HG1 VAL 67 3HG1 VAL 67 2.124 -2.783 -4.833 546 1HG2 VAL 67 1HG2 VAL 67 4.935 -1.301 -4.495 547 2HG2 VAL 67 2HG2 VAL 67 4.189 0.223 -4.949 548 3HG2 VAL 67 3HG2 VAL 67 3.297 -0.911 -3.936 549 HA PRO 68 HA PRO 68 6.062 1.963 -8.622 550 1HB PRO 68 2HB PRO 68 3.991 3.858 -8.829 551 2HB PRO 68 3HB PRO 68 4.670 2.778 -10.102 552 1HG PRO 68 2HG PRO 68 2.018 2.597 -9.002 553 2HG PRO 68 3HG PRO 68 2.803 1.630 -10.272 554 1HD PRO 68 2HD PRO 68 2.511 1.045 -7.372 555 2HD PRO 68 3HD PRO 68 2.730 -0.047 -8.756 556 H LEU 69 HN LEU 69 7.276 2.756 -7.236 557 HA LEU 69 HA LEU 69 6.493 3.473 -4.520 558 1HB LEU 69 2HB LEU 69 9.148 3.687 -6.026 559 2HB LEU 69 3HB LEU 69 8.930 3.840 -4.284 560 HG LEU 69 HG LEU 69 8.474 1.275 -5.827 561 1HD1 LEU 69 1HD1 LEU 69 10.713 2.178 -3.961 562 2HD1 LEU 69 2HD1 LEU 69 10.492 0.549 -4.648 563 3HD1 LEU 69 3HD1 LEU 69 10.797 1.917 -5.732 564 1HD2 LEU 69 1HD2 LEU 69 7.067 1.148 -3.992 565 2HD2 LEU 69 2HD2 LEU 69 8.562 0.407 -3.403 566 3HD2 LEU 69 3HD2 LEU 69 8.175 2.063 -2.907 567 H ILE 70 HN ILE 70 5.584 5.236 -4.131 568 HA ILE 70 HA ILE 70 6.122 7.691 -5.730 569 HB ILE 70 HB ILE 70 3.896 8.357 -5.298 570 1HG1 ILE 70 2HG1 ILE 70 3.501 5.972 -3.487 571 2HG1 ILE 70 3HG1 ILE 70 3.653 7.669 -3.002 572 1HG2 ILE 70 1HG2 ILE 70 3.777 5.457 -6.109 573 2HG2 ILE 70 2HG2 ILE 70 2.655 6.757 -6.571 574 3HG2 ILE 70 3HG2 ILE 70 4.314 6.775 -7.156 575 1HD1 ILE 70 1HD1 ILE 70 1.377 6.539 -4.677 576 2HD1 ILE 70 2HD1 ILE 70 1.316 7.029 -2.978 577 3HD1 ILE 70 3HD1 ILE 70 1.603 8.233 -4.248 578 H THR 71 HN THR 71 5.665 9.770 -4.365 579 HA THR 71 HA THR 71 7.366 9.572 -2.000 580 HB THR 71 HB THR 71 7.000 11.983 -1.881 581 HG1 THR 71 HG1 THR 71 5.714 12.958 -3.578 582 1HG2 THR 71 1HG2 THR 71 7.958 12.679 -3.993 583 2HG2 THR 71 2HG2 THR 71 8.667 11.106 -3.526 584 3HG2 THR 71 3HG2 THR 71 7.435 11.184 -4.790 585 H TYR 72 HN TYR 72 6.556 10.814 0.060 586 HA TYR 72 HA TYR 72 4.088 9.827 1.111 587 1HB TYR 72 2HB TYR 72 5.926 12.123 1.856 588 2HB TYR 72 3HB TYR 72 4.432 11.816 2.721 589 HD1 TYR 72 HD1 TYR 72 4.115 9.104 3.265 590 HD2 TYR 72 HD2 TYR 72 7.797 11.311 3.004 591 HE1 TYR 72 HE1 TYR 72 5.126 7.564 4.910 592 HE2 TYR 72 HE2 TYR 72 8.876 9.689 4.559 593 HH TYR 72 HH TYR 72 7.184 6.766 5.707 594 H SER 73 HN SER 73 4.692 12.793 -0.877 595 HA SER 73 HA SER 73 2.115 13.894 -0.087 596 1HB SER 73 2HB SER 73 2.823 15.690 -1.657 597 2HB SER 73 3HB SER 73 3.982 15.317 -0.369 598 HG SER 73 HG SER 73 4.189 14.918 -3.117 599 H GLU 74 HN GLU 74 3.489 12.175 -2.860 600 HA GLU 74 HA GLU 74 1.263 12.397 -4.664 601 1HB GLU 74 2HB GLU 74 3.486 10.374 -4.311 602 2HB GLU 74 3HB GLU 74 2.231 10.205 -5.556 603 1HG GLU 74 2HG GLU 74 2.800 12.395 -6.505 604 2HG GLU 74 3HG GLU 74 4.079 12.615 -5.310 605 H PHE 75 HN PHE 75 1.920 10.366 -1.847 606 HA PHE 75 HA PHE 75 -0.450 8.720 -2.097 607 1HB PHE 75 2HB PHE 75 1.333 8.004 -0.688 608 2HB PHE 75 3HB PHE 75 1.382 9.503 0.168 609 HD1 PHE 75 HD1 PHE 75 1.194 8.809 2.378 610 HD2 PHE 75 HD2 PHE 75 -1.757 7.523 -0.489 611 HE1 PHE 75 HE1 PHE 75 -0.103 7.670 4.193 612 HE2 PHE 75 HE2 PHE 75 -2.998 6.365 1.309 613 HZ PHE 75 HZ PHE 75 -2.138 6.412 3.635 614 H ILE 76 HN ILE 76 0.173 11.768 -0.169 615 HA ILE 76 HA ILE 76 -2.380 11.948 0.918 616 HB ILE 76 HB ILE 76 -0.526 14.222 0.099 617 1HG1 ILE 76 2HG1 ILE 76 0.649 12.895 1.648 618 2HG1 ILE 76 3HG1 ILE 76 0.011 14.201 2.589 619 1HG2 ILE 76 1HG2 ILE 76 -1.696 15.560 1.849 620 2HG2 ILE 76 2HG2 ILE 76 -2.734 15.171 0.481 621 3HG2 ILE 76 3HG2 ILE 76 -2.894 14.255 2.002 622 1HD1 ILE 76 1HD1 ILE 76 -1.010 11.319 2.487 623 2HD1 ILE 76 2HD1 ILE 76 -0.256 12.138 3.835 624 3HD1 ILE 76 3HD1 ILE 76 -1.876 12.631 3.327 625 H ASP 77 HN ASP 77 -1.484 13.076 -2.322 626 HA ASP 77 HA ASP 77 -3.808 14.422 -3.144 627 1HB ASP 77 2HB ASP 77 -1.878 14.335 -4.432 628 2HB ASP 77 3HB ASP 77 -1.815 12.587 -4.525 629 H LEU 78 HN LEU 78 -3.239 10.969 -2.791 630 HA LEU 78 HA LEU 78 -5.566 10.157 -4.232 631 1HB LEU 78 2HB LEU 78 -3.819 8.608 -2.254 632 2HB LEU 78 3HB LEU 78 -4.967 7.875 -3.301 633 HG LEU 78 HG LEU 78 -2.491 9.363 -4.219 634 1HD1 LEU 78 1HD1 LEU 78 -3.214 6.405 -4.248 635 2HD1 LEU 78 2HD1 LEU 78 -1.745 7.131 -4.959 636 3HD1 LEU 78 3HD1 LEU 78 -2.011 7.203 -3.216 637 1HD2 LEU 78 1HD2 LEU 78 -4.140 9.722 -5.907 638 2HD2 LEU 78 2HD2 LEU 78 -3.105 8.419 -6.484 639 3HD2 LEU 78 3HD2 LEU 78 -4.723 8.047 -5.797 640 H LEU 79 HN LEU 79 -4.985 11.055 -0.827 641 HA LEU 79 HA LEU 79 -7.373 9.763 0.153 642 1HB LEU 79 2HB LEU 79 -5.524 11.777 1.454 643 2HB LEU 79 3HB LEU 79 -6.871 10.927 2.213 644 HG LEU 79 HG LEU 79 -4.839 9.902 2.798 645 1HD1 LEU 79 1HD1 LEU 79 -5.256 7.547 2.188 646 2HD1 LEU 79 2HD1 LEU 79 -6.840 8.370 2.252 647 3HD1 LEU 79 3HD1 LEU 79 -6.083 8.039 0.709 648 1HD2 LEU 79 1HD2 LEU 79 -3.073 9.360 1.625 649 2HD2 LEU 79 2HD2 LEU 79 -3.996 8.854 0.185 650 3HD2 LEU 79 3HD2 LEU 79 -3.738 10.554 0.520 651 H GLU 80 HN GLU 80 -6.578 13.132 0.641 652 HA GLU 80 HA GLU 80 -7.844 15.003 0.658 653 1HB GLU 80 2HB GLU 80 -7.934 14.001 -2.208 654 2HB GLU 80 3HB GLU 80 -8.416 15.637 -1.777 655 1HG GLU 80 2HG GLU 80 -5.728 14.513 -0.983 656 2HG GLU 80 3HG GLU 80 -5.955 15.248 -2.565 657 H GLY 81 HN GLY 81 -9.474 12.800 1.548 658 1HA GLY 81 1HA GLY 81 -11.838 13.679 2.253 659 2HA GLY 81 2HA GLY 81 -12.173 13.497 0.525 660 H GLU 82 HN GLU 82 -10.190 11.119 0.565 661 HA GLU 82 HA GLU 82 -12.307 9.108 1.069 662 1HB GLU 82 2HB GLU 82 -9.899 9.033 -0.764 663 2HB GLU 82 3HB GLU 82 -11.251 7.904 -0.766 664 1HG GLU 82 2HG GLU 82 -11.571 10.859 -1.516 665 2HG GLU 82 3HG GLU 82 -11.302 9.571 -2.663 666 H GLU 83 HN GLU 83 -11.514 9.328 3.284 667 HA GLU 83 HA GLU 83 -8.787 8.419 3.691 668 1HB GLU 83 2HB GLU 83 -8.922 9.647 5.862 669 2HB GLU 83 3HB GLU 83 -9.012 10.566 4.378 670 1HG GLU 83 2HG GLU 83 -10.855 11.526 5.037 671 2HG GLU 83 3HG GLU 83 -11.701 10.016 4.928 672 H LYS 84 HN LYS 84 -10.184 6.330 3.163 673 HA LYS 84 HA LYS 84 -10.120 4.855 5.774 674 1HB LYS 84 2HB LYS 84 -12.315 5.041 3.747 675 2HB LYS 84 3HB LYS 84 -12.026 3.472 4.471 676 1HG LYS 84 2HG LYS 84 -13.309 4.059 6.129 677 2HG LYS 84 3HG LYS 84 -12.024 5.095 6.716 678 1HD LYS 84 2HD LYS 84 -14.149 6.072 4.756 679 2HD LYS 84 3HD LYS 84 -14.409 6.025 6.507 680 1HE LYS 84 2HE LYS 84 -12.346 7.461 6.782 681 2HE LYS 84 3HE LYS 84 -12.303 7.632 5.024 682 1HZ LYS 84 1HZ LYS 84 -14.617 8.448 6.685 683 2HZ LYS 84 2HZ LYS 84 -13.447 9.471 6.188 684 3HZ LYS 84 3HZ LYS 84 -14.436 8.724 5.099 685 H PHE 85 HN PHE 85 -8.048 5.255 3.938 686 HA PHE 85 HA PHE 85 -7.002 2.605 4.037 687 1HB PHE 85 2HB PHE 85 -6.388 2.367 1.650 688 2HB PHE 85 3HB PHE 85 -8.104 2.263 1.910 689 HD1 PHE 85 HD1 PHE 85 -9.626 4.133 1.173 690 HD2 PHE 85 HD2 PHE 85 -5.389 4.319 0.382 691 HE1 PHE 85 HE1 PHE 85 -9.977 6.006 -0.405 692 HE2 PHE 85 HE2 PHE 85 -5.757 6.200 -1.161 693 HZ PHE 85 HZ PHE 85 -8.044 7.080 -1.516 694 H ILE 86 HN ILE 86 -6.374 4.662 5.446 695 HA ILE 86 HA ILE 86 -4.108 6.046 4.245 696 HB ILE 86 HB ILE 86 -4.676 5.979 7.204 697 1HG1 ILE 86 2HG1 ILE 86 -6.925 6.468 6.526 698 2HG1 ILE 86 3HG1 ILE 86 -6.154 7.961 6.968 699 1HG2 ILE 86 1HG2 ILE 86 -2.739 7.205 6.533 700 2HG2 ILE 86 2HG2 ILE 86 -3.611 7.990 5.208 701 3HG2 ILE 86 3HG2 ILE 86 -3.964 8.405 6.909 702 1HD1 ILE 86 1HD1 ILE 86 -7.192 8.643 5.038 703 2HD1 ILE 86 2HD1 ILE 86 -5.638 8.246 4.389 704 3HD1 ILE 86 3HD1 ILE 86 -6.987 7.105 4.188 705 H GLY 87 HN GLY 87 -1.876 5.762 5.753 706 1HA GLY 87 1HA GLY 87 -2.392 4.383 7.858 707 2HA GLY 87 2HA GLY 87 -1.398 3.221 7.037 Start of MODEL 9 1 1H MET 1 HN MET 1 16.361 -0.004 -9.797 2 HA MET 1 HA MET 1 13.622 -0.962 -10.329 3 1HB MET 1 2HB MET 1 15.510 -1.621 -8.052 4 2HB MET 1 3HB MET 1 13.780 -1.945 -8.013 5 1HG MET 1 2HG MET 1 13.871 -3.365 -9.920 6 2HG MET 1 3HG MET 1 15.562 -2.971 -10.251 7 1HE MET 1 1HE MET 1 14.788 -5.838 -10.372 8 2HE MET 1 2HE MET 1 14.737 -6.802 -8.884 9 3HE MET 1 3HE MET 1 13.430 -5.661 -9.231 10 H ALA 2 HN ALA 2 12.079 0.489 -9.887 11 HA ALA 2 HA ALA 2 12.030 1.449 -7.183 12 1HB ALA 2 1HB ALA 2 11.393 3.332 -9.496 13 2HB ALA 2 2HB ALA 2 11.043 3.638 -7.783 14 3HB ALA 2 3HB ALA 2 12.725 3.523 -8.338 15 H LEU 3 HN LEU 3 9.643 1.894 -6.652 16 HA LEU 3 HA LEU 3 7.731 0.438 -8.358 17 1HB LEU 3 2HB LEU 3 8.129 0.145 -5.340 18 2HB LEU 3 3HB LEU 3 6.833 -0.604 -6.277 19 HG LEU 3 HG LEU 3 9.785 -1.195 -6.795 20 1HD1 LEU 3 1HD1 LEU 3 9.123 -1.844 -4.485 21 2HD1 LEU 3 2HD1 LEU 3 7.925 -2.959 -5.198 22 3HD1 LEU 3 3HD1 LEU 3 9.652 -3.159 -5.525 23 1HD2 LEU 3 1HD2 LEU 3 8.293 -1.745 -8.687 24 2HD2 LEU 3 2HD2 LEU 3 8.925 -3.207 -7.927 25 3HD2 LEU 3 3HD2 LEU 3 7.247 -2.685 -7.611 26 H VAL 4 HN VAL 4 7.079 2.423 -9.076 27 HA VAL 4 HA VAL 4 5.710 4.165 -7.103 28 HB VAL 4 HB VAL 4 7.379 5.038 -9.490 29 1HG1 VAL 4 1HG1 VAL 4 5.005 6.271 -8.398 30 2HG1 VAL 4 2HG1 VAL 4 6.412 7.312 -8.027 31 3HG1 VAL 4 3HG1 VAL 4 6.064 6.822 -9.680 32 1HG2 VAL 4 1HG2 VAL 4 8.567 6.401 -7.744 33 2HG2 VAL 4 2HG2 VAL 4 7.608 5.584 -6.489 34 3HG2 VAL 4 3HG2 VAL 4 8.737 4.657 -7.498 35 H LEU 5 HN LEU 5 4.338 2.253 -7.709 36 HA LEU 5 HA LEU 5 2.106 3.142 -9.095 37 1HB LEU 5 2HB LEU 5 1.877 1.292 -10.703 38 2HB LEU 5 3HB LEU 5 3.032 2.505 -11.168 39 HG LEU 5 HG LEU 5 4.273 0.180 -9.767 40 1HD1 LEU 5 1HD1 LEU 5 2.530 -1.010 -11.028 41 2HD1 LEU 5 2HD1 LEU 5 2.945 -0.101 -12.514 42 3HD1 LEU 5 3HD1 LEU 5 4.094 -1.251 -11.789 43 1HD2 LEU 5 1HD2 LEU 5 4.884 1.514 -12.429 44 2HD2 LEU 5 2HD2 LEU 5 5.625 1.949 -10.884 45 3HD2 LEU 5 3HD2 LEU 5 5.905 0.348 -11.566 46 H VAL 6 HN VAL 6 0.417 2.051 -8.051 47 HA VAL 6 HA VAL 6 0.847 -0.714 -7.289 48 HB VAL 6 HB VAL 6 1.798 0.093 -5.347 49 1HG1 VAL 6 1HG1 VAL 6 1.232 2.440 -5.378 50 2HG1 VAL 6 2HG1 VAL 6 -0.460 2.058 -4.965 51 3HG1 VAL 6 3HG1 VAL 6 0.848 1.720 -3.817 52 1HG2 VAL 6 1HG2 VAL 6 0.386 -0.647 -3.566 53 2HG2 VAL 6 2HG2 VAL 6 -1.049 -0.410 -4.439 54 3HG2 VAL 6 3HG2 VAL 6 0.093 -1.685 -4.967 55 H LYS 7 HN LYS 7 -0.603 -0.080 -9.208 56 HA LYS 7 HA LYS 7 -3.410 -0.067 -8.138 57 1HB LYS 7 2HB LYS 7 -4.043 1.145 -10.169 58 2HB LYS 7 3HB LYS 7 -2.913 2.044 -9.169 59 1HG LYS 7 2HG LYS 7 -1.300 2.092 -10.767 60 2HG LYS 7 3HG LYS 7 -1.617 0.444 -11.334 61 1HD LYS 7 2HD LYS 7 -3.554 1.099 -12.562 62 2HD LYS 7 3HD LYS 7 -3.534 2.743 -11.878 63 1HE LYS 7 2HE LYS 7 -1.611 3.369 -13.048 64 2HE LYS 7 3HE LYS 7 -1.176 1.705 -13.464 65 1HZ LYS 7 1HZ LYS 7 -2.930 1.571 -14.982 66 2HZ LYS 7 2HZ LYS 7 -3.661 2.949 -14.469 67 3HZ LYS 7 3HZ LYS 7 -2.222 3.003 -15.286 68 H TYR 8 HN TYR 8 -1.745 -2.490 -8.783 69 HA TYR 8 HA TYR 8 -3.667 -3.746 -10.692 70 1HB TYR 8 2HB TYR 8 -0.625 -3.885 -10.836 71 2HB TYR 8 3HB TYR 8 -1.701 -4.925 -11.745 72 HD1 TYR 8 HD1 TYR 8 0.245 -2.032 -12.077 73 HD2 TYR 8 HD2 TYR 8 -3.612 -3.665 -13.108 74 HE1 TYR 8 HE1 TYR 8 0.046 -0.395 -13.921 75 HE2 TYR 8 HE2 TYR 8 -3.853 -1.988 -14.910 76 HH TYR 8 HH TYR 8 -1.227 -0.117 -16.066 77 H GLY 9 HN GLY 9 -3.612 -3.776 -7.833 78 1HA GLY 9 1HA GLY 9 -3.924 -5.243 -6.134 79 2HA GLY 9 2HA GLY 9 -3.757 -6.590 -7.263 80 H THR 10 HN THR 10 -1.229 -6.361 -8.001 81 HA THR 10 HA THR 10 0.260 -6.782 -5.446 82 HB THR 10 HB THR 10 0.871 -8.955 -6.674 83 HG1 THR 10 HG1 THR 10 -1.756 -8.795 -7.632 84 1HG2 THR 10 1HG2 THR 10 -1.908 -8.597 -5.449 85 2HG2 THR 10 2HG2 THR 10 -0.977 -10.103 -5.570 86 3HG2 THR 10 3HG2 THR 10 -0.397 -8.792 -4.543 87 H ASP 11 HN ASP 11 1.121 -4.550 -7.246 88 HA ASP 11 HA ASP 11 3.731 -5.738 -8.100 89 1HB ASP 11 2HB ASP 11 2.053 -5.041 -9.896 90 2HB ASP 11 3HB ASP 11 2.398 -3.385 -9.457 91 H HIS 12 HN HIS 12 3.623 -4.781 -5.505 92 HA HIS 12 HA HIS 12 5.791 -2.941 -5.529 93 1HB HIS 12 2HB HIS 12 4.884 -0.959 -4.750 94 2HB HIS 12 3HB HIS 12 3.579 -1.471 -5.780 95 HD1 HIS 12 HD1 HIS 12 2.465 -3.654 -3.428 96 HD2 HIS 12 HD2 HIS 12 3.429 0.423 -2.992 97 HE1 HIS 12 HE1 HIS 12 1.209 -2.861 -1.452 98 HA PRO 13 HA PRO 13 6.314 -5.062 -1.709 99 1HB PRO 13 2HB PRO 13 7.375 -3.337 0.108 100 2HB PRO 13 3HB PRO 13 8.189 -3.890 -1.367 101 1HG PRO 13 2HG PRO 13 6.951 -1.214 -0.795 102 2HG PRO 13 3HG PRO 13 8.383 -1.591 -1.794 103 1HD PRO 13 2HD PRO 13 5.664 -1.226 -2.611 104 2HD PRO 13 3HD PRO 13 7.013 -1.730 -3.647 105 H VAL 14 HN VAL 14 5.590 -5.359 0.682 106 HA VAL 14 HA VAL 14 4.344 -4.061 2.378 107 HB VAL 14 HB VAL 14 2.348 -4.586 0.225 108 1HG1 VAL 14 1HG1 VAL 14 1.287 -5.989 1.805 109 2HG1 VAL 14 2HG1 VAL 14 1.713 -4.928 3.177 110 3HG1 VAL 14 3HG1 VAL 14 0.484 -4.439 2.011 111 1HG2 VAL 14 1HG2 VAL 14 3.324 -2.285 1.547 112 2HG2 VAL 14 2HG2 VAL 14 1.901 -2.363 0.540 113 3HG2 VAL 14 3HG2 VAL 14 1.742 -2.534 2.273 114 H GLU 15 HN GLU 15 3.799 -6.925 0.317 115 HA GLU 15 HA GLU 15 4.534 -8.707 2.599 116 1HB GLU 15 2HB GLU 15 1.720 -8.437 1.406 117 2HB GLU 15 3HB GLU 15 2.240 -9.944 2.137 118 1HG GLU 15 2HG GLU 15 3.028 -8.492 4.114 119 2HG GLU 15 3HG GLU 15 1.978 -7.258 3.478 120 H LYS 16 HN LYS 16 5.921 -8.201 0.330 121 HA LYS 16 HA LYS 16 6.817 -10.692 -0.221 122 1HB LYS 16 2HB LYS 16 4.482 -10.630 -1.734 123 2HB LYS 16 3HB LYS 16 5.570 -9.915 -2.867 124 1HG LYS 16 2HG LYS 16 5.575 -12.169 -3.291 125 2HG LYS 16 3HG LYS 16 7.134 -11.872 -2.535 126 1HD LYS 16 2HD LYS 16 6.452 -12.868 -0.427 127 2HD LYS 16 3HD LYS 16 4.749 -12.866 -0.891 128 1HE LYS 16 2HE LYS 16 6.837 -14.390 -2.481 129 2HE LYS 16 3HE LYS 16 6.061 -15.101 -1.056 130 1HZ LYS 16 1HZ LYS 16 4.009 -15.087 -2.060 131 2HZ LYS 16 2HZ LYS 16 4.365 -13.990 -3.171 132 3HZ LYS 16 3HZ LYS 16 4.976 -15.525 -3.324 133 H LEU 17 HN LEU 17 6.202 -8.083 -2.577 134 HA LEU 17 HA LEU 17 8.809 -7.991 -3.430 135 1HB LEU 17 2HB LEU 17 6.426 -6.495 -3.879 136 2HB LEU 17 3HB LEU 17 7.728 -5.313 -3.811 137 HG LEU 17 HG LEU 17 7.790 -7.848 -5.511 138 1HD1 LEU 17 1HD1 LEU 17 7.284 -6.397 -7.422 139 2HD1 LEU 17 2HD1 LEU 17 5.981 -6.359 -6.231 140 3HD1 LEU 17 3HD1 LEU 17 7.116 -4.994 -6.341 141 1HD2 LEU 17 1HD2 LEU 17 9.668 -6.782 -6.657 142 2HD2 LEU 17 2HD2 LEU 17 9.539 -5.353 -5.610 143 3HD2 LEU 17 3HD2 LEU 17 10.042 -6.904 -4.939 144 H LYS 18 HN LYS 18 7.518 -6.565 -0.605 145 HA LYS 18 HA LYS 18 9.646 -4.769 0.095 146 1HB LYS 18 2HB LYS 18 8.490 -4.338 1.915 147 2HB LYS 18 3HB LYS 18 7.228 -5.319 1.227 148 1HG LYS 18 2HG LYS 18 9.293 -6.336 3.180 149 2HG LYS 18 3HG LYS 18 7.728 -5.693 3.642 150 1HD LYS 18 2HD LYS 18 6.537 -7.478 2.780 151 2HD LYS 18 3HD LYS 18 7.758 -7.968 1.650 152 1HE LYS 18 2HE LYS 18 7.294 -9.410 3.692 153 2HE LYS 18 3HE LYS 18 9.012 -9.088 3.290 154 1HZ LYS 18 1HZ LYS 18 9.053 -7.413 5.011 155 2HZ LYS 18 2HZ LYS 18 7.430 -7.727 5.347 156 3HZ LYS 18 3HZ LYS 18 8.568 -8.820 5.671 157 H ILE 19 HN ILE 19 9.357 -8.325 0.343 158 HA ILE 19 HA ILE 19 11.546 -8.572 2.211 159 HB ILE 19 HB ILE 19 9.375 -10.109 1.430 160 1HG1 ILE 19 2HG1 ILE 19 11.721 -11.490 2.730 161 2HG1 ILE 19 3HG1 ILE 19 10.903 -10.130 3.525 162 1HG2 ILE 19 1HG2 ILE 19 11.706 -11.713 0.333 163 2HG2 ILE 19 2HG2 ILE 19 9.982 -12.143 0.369 164 3HG2 ILE 19 3HG2 ILE 19 10.533 -10.861 -0.682 165 1HD1 ILE 19 1HD1 ILE 19 9.342 -12.509 2.517 166 2HD1 ILE 19 2HD1 ILE 19 9.969 -12.356 4.174 167 3HD1 ILE 19 3HD1 ILE 19 8.795 -11.188 3.531 168 H ARG 20 HN ARG 20 11.119 -8.309 -1.224 169 HA ARG 20 HA ARG 20 13.790 -9.341 -1.845 170 1HB ARG 20 2HB ARG 20 11.676 -7.949 -3.558 171 2HB ARG 20 3HB ARG 20 13.219 -8.563 -4.127 172 1HG ARG 20 2HG ARG 20 12.286 -10.493 -4.543 173 2HG ARG 20 3HG ARG 20 12.128 -10.792 -2.812 174 1HD ARG 20 2HD ARG 20 9.832 -10.431 -2.840 175 2HD ARG 20 3HD ARG 20 9.987 -9.286 -4.198 176 HE ARG 20 HE ARG 20 9.761 -10.828 -5.720 177 1HH1 ARG 20 2HH2 ARG 20 10.143 -12.892 -2.834 178 2HH1 ARG 20 1HH2 ARG 20 9.045 -14.068 -3.446 179 1HH2 ARG 20 2HH1 ARG 20 8.618 -12.382 -6.519 180 2HH2 ARG 20 1HH1 ARG 20 8.320 -13.900 -5.720 181 H SER 21 HN SER 21 12.377 -6.292 -0.820 182 HA SER 21 HA SER 21 14.829 -5.229 -0.084 183 1HB SER 21 2HB SER 21 13.700 -4.197 -2.699 184 2HB SER 21 3HB SER 21 14.605 -3.112 -1.611 185 HG SER 21 HG SER 21 15.616 -5.603 -2.488 186 H ALA 22 HN ALA 22 13.949 -4.543 1.776 187 HA ALA 22 HA ALA 22 12.833 -2.080 2.152 188 1HB ALA 22 1HB ALA 22 10.717 -4.233 2.740 189 2HB ALA 22 2HB ALA 22 10.584 -2.521 3.115 190 3HB ALA 22 3HB ALA 22 10.578 -3.022 1.433 191 H LYS 23 HN LYS 23 12.147 -1.931 4.628 192 HA LYS 23 HA LYS 23 13.042 -4.070 6.306 193 1HB LYS 23 2HB LYS 23 15.010 -2.098 5.595 194 2HB LYS 23 3HB LYS 23 14.380 -1.656 7.164 195 1HG LYS 23 2HG LYS 23 16.346 -2.797 7.493 196 2HG LYS 23 3HG LYS 23 14.991 -3.682 8.181 197 1HD LYS 23 2HD LYS 23 16.107 -4.402 5.430 198 2HD LYS 23 3HD LYS 23 16.867 -4.980 6.936 199 1HE LYS 23 2HE LYS 23 14.286 -5.404 7.527 200 2HE LYS 23 3HE LYS 23 14.192 -5.611 5.783 201 1HZ LYS 23 1HZ LYS 23 16.004 -7.298 5.970 202 2HZ LYS 23 2HZ LYS 23 15.987 -7.122 7.610 203 3HZ LYS 23 3HZ LYS 23 14.719 -7.785 6.842 204 H ALA 24 HN ALA 24 13.110 -2.598 8.754 205 HA ALA 24 HA ALA 24 10.236 -2.318 8.988 206 1HB ALA 24 1HB ALA 24 12.417 -1.579 11.008 207 2HB ALA 24 2HB ALA 24 10.709 -1.901 11.345 208 3HB ALA 24 3HB ALA 24 11.759 -3.229 10.819 209 H GLU 25 HN GLU 25 12.945 -0.071 8.643 210 HA GLU 25 HA GLU 25 11.166 2.189 9.146 211 1HB GLU 25 2HB GLU 25 13.131 3.575 8.669 212 2HB GLU 25 3HB GLU 25 13.132 2.649 10.211 213 1HG GLU 25 2HG GLU 25 14.494 0.933 9.200 214 2HG GLU 25 3HG GLU 25 14.448 1.756 7.629 215 H ASP 26 HN ASP 26 10.335 0.707 7.043 216 HA ASP 26 HA ASP 26 11.168 2.432 4.816 217 1HB ASP 26 2HB ASP 26 11.506 -0.215 4.941 218 2HB ASP 26 3HB ASP 26 9.861 -0.239 4.292 219 H LYS 27 HN LYS 27 9.135 2.412 3.057 220 HA LYS 27 HA LYS 27 6.897 3.450 4.724 221 1HB LYS 27 2HB LYS 27 8.624 4.968 2.772 222 2HB LYS 27 3HB LYS 27 7.189 5.611 3.589 223 1HG LYS 27 2HG LYS 27 8.273 5.832 5.651 224 2HG LYS 27 3HG LYS 27 9.533 4.668 5.247 225 1HD LYS 27 2HD LYS 27 10.279 6.378 3.423 226 2HD LYS 27 3HD LYS 27 9.309 7.542 4.357 227 1HE LYS 27 2HE LYS 27 10.646 6.811 6.406 228 2HE LYS 27 3HE LYS 27 11.647 5.820 5.324 229 1HZ LYS 27 1HZ LYS 27 12.129 8.026 4.137 230 2HZ LYS 27 2HZ LYS 27 11.388 8.745 5.394 231 3HZ LYS 27 3HZ LYS 27 12.749 7.885 5.650 232 H ILE 28 HN ILE 28 4.929 2.775 3.689 233 HA ILE 28 HA ILE 28 4.840 2.809 0.754 234 HB ILE 28 HB ILE 28 3.916 0.353 2.238 235 1HG1 ILE 28 2HG1 ILE 28 6.713 0.368 0.993 236 2HG1 ILE 28 3HG1 ILE 28 6.466 0.573 2.721 237 1HG2 ILE 28 1HG2 ILE 28 3.211 0.641 -0.109 238 2HG2 ILE 28 2HG2 ILE 28 4.883 0.953 -0.623 239 3HG2 ILE 28 3HG2 ILE 28 4.369 -0.640 -0.080 240 1HD1 ILE 28 1HD1 ILE 28 5.634 -1.853 1.177 241 2HD1 ILE 28 2HD1 ILE 28 6.955 -1.705 2.343 242 3HD1 ILE 28 3HD1 ILE 28 5.268 -1.540 2.887 243 H VAL 29 HN VAL 29 2.631 2.400 -0.017 244 HA VAL 29 HA VAL 29 0.363 2.549 1.698 245 HB VAL 29 HB VAL 29 1.102 4.851 -0.129 246 1HG1 VAL 29 1HG1 VAL 29 -1.244 5.742 0.306 247 2HG1 VAL 29 2HG1 VAL 29 -1.233 4.335 -0.713 248 3HG1 VAL 29 3HG1 VAL 29 -1.677 4.178 1.007 249 1HG2 VAL 29 1HG2 VAL 29 0.452 4.573 2.800 250 2HG2 VAL 29 2HG2 VAL 29 1.829 5.393 2.018 251 3HG2 VAL 29 3HG2 VAL 29 0.222 6.127 2.006 252 H LEU 30 HN LEU 30 -1.601 1.958 0.321 253 HA LEU 30 HA LEU 30 -0.921 0.700 -2.316 254 1HB LEU 30 2HB LEU 30 -3.414 -0.254 -1.097 255 2HB LEU 30 3HB LEU 30 -2.130 -1.188 -1.796 256 HG LEU 30 HG LEU 30 -2.195 -0.198 1.094 257 1HD1 LEU 30 1HD1 LEU 30 -4.039 -1.734 0.690 258 2HD1 LEU 30 2HD1 LEU 30 -2.989 -2.872 -0.121 259 3HD1 LEU 30 3HD1 LEU 30 -2.777 -2.556 1.617 260 1HD2 LEU 30 1HD2 LEU 30 -0.439 -2.186 -0.361 261 2HD2 LEU 30 2HD2 LEU 30 0.092 -0.674 0.381 262 3HD2 LEU 30 3HD2 LEU 30 -0.488 -2.014 1.396 263 H ILE 31 HN ILE 31 -2.462 0.935 -4.047 264 HA ILE 31 HA ILE 31 -4.809 2.578 -3.417 265 HB ILE 31 HB ILE 31 -4.402 4.166 -4.960 266 1HG1 ILE 31 2HG1 ILE 31 -2.054 2.789 -6.249 267 2HG1 ILE 31 3HG1 ILE 31 -3.642 2.525 -6.819 268 1HG2 ILE 31 1HG2 ILE 31 -1.567 3.779 -3.962 269 2HG2 ILE 31 2HG2 ILE 31 -2.316 5.284 -4.508 270 3HG2 ILE 31 3HG2 ILE 31 -2.895 4.509 -3.046 271 1HD1 ILE 31 1HD1 ILE 31 -3.956 4.974 -7.088 272 2HD1 ILE 31 2HD1 ILE 31 -2.229 5.171 -6.756 273 3HD1 ILE 31 3HD1 ILE 31 -2.730 4.206 -8.168 274 H GLN 32 HN GLN 32 -6.085 2.811 -5.440 275 HA GLN 32 HA GLN 32 -7.559 1.999 -6.827 276 1HB GLN 32 2HB GLN 32 -5.065 1.089 -8.166 277 2HB GLN 32 3HB GLN 32 -6.628 0.973 -8.960 278 1HG GLN 32 2HG GLN 32 -5.552 3.573 -7.876 279 2HG GLN 32 3HG GLN 32 -5.224 3.017 -9.510 280 1HE2 GLN 32 1HE2 GLN 32 -7.608 4.463 -7.427 281 2HE2 GLN 32 2HE2 GLN 32 -9.031 4.024 -8.375 282 H ASN 33 HN ASN 33 -5.465 -0.673 -7.500 283 HA ASN 33 HA ASN 33 -7.459 -2.636 -6.446 284 1HB ASN 33 2HB ASN 33 -5.603 -2.996 -8.839 285 2HB ASN 33 3HB ASN 33 -6.608 -4.232 -8.108 286 1HD2 ASN 33 1HD2 ASN 33 -6.714 -1.372 -10.187 287 2HD2 ASN 33 2HD2 ASN 33 -8.403 -1.534 -10.578 288 H GLY 34 HN GLY 34 -4.205 -1.478 -6.390 289 1HA GLY 34 1HA GLY 34 -2.522 -3.416 -5.212 290 2HA GLY 34 2HA GLY 34 -2.571 -1.690 -5.016 291 H VAL 35 HN VAL 35 -5.302 -1.569 -3.942 292 HA VAL 35 HA VAL 35 -5.100 -1.999 -1.233 293 HB VAL 35 HB VAL 35 -7.567 -2.179 -1.333 294 1HG1 VAL 35 1HG1 VAL 35 -7.875 0.151 -2.105 295 2HG1 VAL 35 2HG1 VAL 35 -6.479 -0.033 -1.042 296 3HG1 VAL 35 3HG1 VAL 35 -6.256 0.132 -2.802 297 1HG2 VAL 35 1HG2 VAL 35 -7.851 -3.174 -3.632 298 2HG2 VAL 35 2HG2 VAL 35 -8.725 -1.622 -3.462 299 3HG2 VAL 35 3HG2 VAL 35 -7.213 -1.644 -4.301 300 H PHE 36 HN PHE 36 -5.676 -4.625 -3.622 301 HA PHE 36 HA PHE 36 -6.363 -6.789 -2.039 302 1HB PHE 36 2HB PHE 36 -4.432 -6.430 -4.343 303 2HB PHE 36 3HB PHE 36 -4.628 -7.966 -3.556 304 HD1 PHE 36 HD1 PHE 36 -7.493 -5.602 -4.386 305 HD2 PHE 36 HD2 PHE 36 -5.420 -9.288 -5.219 306 HE1 PHE 36 HE1 PHE 36 -9.265 -6.282 -5.987 307 HE2 PHE 36 HE2 PHE 36 -7.184 -9.909 -6.836 308 HZ PHE 36 HZ PHE 36 -9.113 -8.389 -7.223 309 H TRP 37 HN TRP 37 -3.224 -5.038 -2.009 310 HA TRP 37 HA TRP 37 -1.787 -7.092 -0.621 311 1HB TRP 37 2HB TRP 37 -1.417 -4.098 -0.817 312 2HB TRP 37 3HB TRP 37 -0.355 -5.129 0.105 313 HD1 TRP 37 HD1 TRP 37 -0.849 -3.795 -3.303 314 HE1 TRP 37 HE1 TRP 37 0.979 -4.659 -4.835 315 HE3 TRP 37 HE3 TRP 37 0.877 -7.599 -0.401 316 HZ2 TRP 37 HZ2 TRP 37 3.072 -6.750 -4.769 317 HZ3 TRP 37 HZ3 TRP 37 2.761 -9.030 -1.147 318 HH2 TRP 37 HH2 TRP 37 3.946 -8.513 -3.323 319 H ALA 38 HN ALA 38 -4.412 -5.104 0.564 320 HA ALA 38 HA ALA 38 -3.541 -5.412 3.418 321 1HB ALA 38 1HB ALA 38 -5.608 -4.172 3.847 322 2HB ALA 38 2HB ALA 38 -4.779 -3.314 2.539 323 3HB ALA 38 3HB ALA 38 -6.151 -4.380 2.184 324 H LEU 39 HN LEU 39 -3.813 -7.767 1.785 325 HA LEU 39 HA LEU 39 -5.235 -9.559 3.408 326 1HB LEU 39 2HB LEU 39 -7.132 -10.079 2.099 327 2HB LEU 39 3HB LEU 39 -7.257 -8.538 2.901 328 HG LEU 39 HG LEU 39 -6.696 -8.816 -0.078 329 1HD1 LEU 39 1HD1 LEU 39 -9.067 -8.423 -0.331 330 2HD1 LEU 39 2HD1 LEU 39 -8.947 -9.739 0.830 331 3HD1 LEU 39 3HD1 LEU 39 -9.278 -8.085 1.414 332 1HD2 LEU 39 1HD2 LEU 39 -6.118 -6.572 0.557 333 2HD2 LEU 39 2HD2 LEU 39 -7.657 -6.530 -0.249 334 3HD2 LEU 39 3HD2 LEU 39 -7.598 -6.400 1.531 335 H GLU 40 HN GLU 40 -2.894 -9.708 2.778 336 HA GLU 40 HA GLU 40 -2.708 -12.052 0.973 337 1HB GLU 40 2HB GLU 40 -0.653 -9.834 1.491 338 2HB GLU 40 3HB GLU 40 -0.283 -11.325 0.633 339 1HG GLU 40 2HG GLU 40 -2.505 -9.494 -0.253 340 2HG GLU 40 3HG GLU 40 -0.831 -9.226 -0.719 341 H GLU 41 HN GLU 41 -0.559 -13.286 1.669 342 HA GLU 41 HA GLU 41 -0.428 -13.547 4.628 343 1HB GLU 41 2HB GLU 41 -0.585 -15.494 2.338 344 2HB GLU 41 3HB GLU 41 0.595 -15.862 3.569 345 1HG GLU 41 2HG GLU 41 -1.293 -15.635 5.294 346 2HG GLU 41 3HG GLU 41 -2.402 -15.707 3.902 347 H LEU 42 HN LEU 42 1.313 -12.259 5.161 348 HA LEU 42 HA LEU 42 3.813 -13.377 4.816 349 1HB LEU 42 2HB LEU 42 3.191 -11.890 2.570 350 2HB LEU 42 3HB LEU 42 4.079 -10.716 3.488 351 HG LEU 42 HG LEU 42 5.645 -11.755 2.059 352 1HD1 LEU 42 1HD1 LEU 42 7.209 -12.983 3.390 353 2HD1 LEU 42 2HD1 LEU 42 6.603 -11.548 4.254 354 3HD1 LEU 42 3HD1 LEU 42 6.039 -13.173 4.697 355 1HD2 LEU 42 1HD2 LEU 42 4.694 -14.502 2.909 356 2HD2 LEU 42 2HD2 LEU 42 4.296 -13.692 1.388 357 3HD2 LEU 42 3HD2 LEU 42 5.975 -14.143 1.735 358 H GLU 43 HN GLU 43 4.866 -10.315 5.019 359 HA GLU 43 HA GLU 43 3.711 -9.411 7.497 360 1HB GLU 43 2HB GLU 43 6.063 -9.165 8.506 361 2HB GLU 43 3HB GLU 43 5.350 -10.772 8.561 362 1HG GLU 43 2HG GLU 43 6.924 -11.701 7.186 363 2HG GLU 43 3HG GLU 43 7.017 -10.290 6.143 364 H THR 44 HN THR 44 4.340 -7.170 7.781 365 HA THR 44 HA THR 44 6.526 -6.007 6.159 366 HB THR 44 HB THR 44 4.777 -5.069 4.948 367 HG1 THR 44 HG1 THR 44 5.035 -2.861 6.125 368 1HG2 THR 44 1HG2 THR 44 3.413 -3.455 6.908 369 2HG2 THR 44 2HG2 THR 44 2.717 -4.550 5.676 370 3HG2 THR 44 3HG2 THR 44 3.137 -5.167 7.263 371 HA PRO 45 HA PRO 45 6.940 -4.396 10.331 372 1HB PRO 45 2HB PRO 45 9.558 -3.841 10.291 373 2HB PRO 45 3HB PRO 45 8.946 -5.467 10.550 374 1HG PRO 45 2HG PRO 45 10.171 -4.315 8.050 375 2HG PRO 45 3HG PRO 45 10.287 -5.978 8.693 376 1HD PRO 45 2HD PRO 45 8.509 -4.978 6.728 377 2HD PRO 45 3HD PRO 45 8.409 -6.590 7.532 378 H ALA 46 HN ALA 46 7.307 -3.136 7.135 379 HA ALA 46 HA ALA 46 7.886 -0.391 7.842 380 1HB ALA 46 1HB ALA 46 8.623 -1.391 5.688 381 2HB ALA 46 2HB ALA 46 6.942 -1.670 5.222 382 3HB ALA 46 3HB ALA 46 7.514 -0.031 5.404 383 H LYS 47 HN LYS 47 6.271 1.448 7.157 384 HA LYS 47 HA LYS 47 3.720 0.795 8.347 385 1HB LYS 47 2HB LYS 47 3.264 3.181 7.651 386 2HB LYS 47 3HB LYS 47 4.448 2.923 8.940 387 1HG LYS 47 2HG LYS 47 6.222 3.467 7.635 388 2HG LYS 47 3HG LYS 47 5.475 3.045 6.117 389 1HD LYS 47 2HD LYS 47 4.236 5.301 7.529 390 2HD LYS 47 3HD LYS 47 5.916 5.559 7.068 391 1HE LYS 47 2HE LYS 47 4.983 6.290 5.149 392 2HE LYS 47 3HE LYS 47 5.218 4.552 4.785 393 1HZ LYS 47 1HZ LYS 47 2.993 4.142 4.935 394 2HZ LYS 47 2HZ LYS 47 2.659 5.580 5.736 395 3HZ LYS 47 3HZ LYS 47 3.058 5.552 4.145 396 H VAL 48 HN VAL 48 1.880 0.436 7.334 397 HA VAL 48 HA VAL 48 1.745 0.585 4.399 398 HB VAL 48 HB VAL 48 1.201 -1.809 6.229 399 1HG1 VAL 48 1HG1 VAL 48 0.226 -1.299 3.398 400 2HG1 VAL 48 2HG1 VAL 48 0.286 -2.914 4.170 401 3HG1 VAL 48 3HG1 VAL 48 -0.747 -1.654 4.839 402 1HG2 VAL 48 1HG2 VAL 48 3.510 -1.634 5.413 403 2HG2 VAL 48 2HG2 VAL 48 2.706 -2.838 4.385 404 3HG2 VAL 48 3HG2 VAL 48 2.968 -1.202 3.791 405 H TYR 49 HN TYR 49 -0.048 1.494 3.793 406 HA TYR 49 HA TYR 49 -2.388 1.673 5.528 407 1HB TYR 49 2HB TYR 49 -0.910 4.094 4.393 408 2HB TYR 49 3HB TYR 49 -2.484 4.090 5.107 409 HD1 TYR 49 HD1 TYR 49 -2.834 4.032 7.484 410 HD2 TYR 49 HD2 TYR 49 1.234 3.820 6.042 411 HE1 TYR 49 HE1 TYR 49 -2.043 4.803 9.665 412 HE2 TYR 49 HE2 TYR 49 1.988 4.756 8.223 413 HH TYR 49 HH TYR 49 -0.004 5.005 11.040 414 H ALA 50 HN ALA 50 -4.275 2.201 4.045 415 HA ALA 50 HA ALA 50 -3.708 1.574 1.133 416 1HB ALA 50 1HB ALA 50 -5.763 0.158 1.364 417 2HB ALA 50 2HB ALA 50 -4.405 -0.406 2.370 418 3HB ALA 50 3HB ALA 50 -5.725 0.458 3.123 419 H ILE 51 HN ILE 51 -5.441 2.615 -0.419 420 HA ILE 51 HA ILE 51 -6.545 4.973 0.883 421 HB ILE 51 HB ILE 51 -6.209 4.058 -2.004 422 1HG1 ILE 51 2HG1 ILE 51 -4.183 4.892 -1.242 423 2HG1 ILE 51 3HG1 ILE 51 -4.949 6.105 -2.260 424 1HG2 ILE 51 1HG2 ILE 51 -8.439 5.331 -1.546 425 2HG2 ILE 51 2HG2 ILE 51 -7.455 6.726 -1.126 426 3HG2 ILE 51 3HG2 ILE 51 -7.370 5.999 -2.744 427 1HD1 ILE 51 1HD1 ILE 51 -5.643 7.268 -0.053 428 2HD1 ILE 51 2HD1 ILE 51 -4.540 6.126 0.754 429 3HD1 ILE 51 3HD1 ILE 51 -3.930 7.250 -0.473 430 H LYS 52 HN LYS 52 -8.183 4.847 1.930 431 HA LYS 52 HA LYS 52 -10.106 2.824 1.898 432 1HB LYS 52 2HB LYS 52 -9.546 4.576 3.653 433 2HB LYS 52 3HB LYS 52 -10.485 5.753 2.725 434 1HG LYS 52 2HG LYS 52 -12.513 4.530 3.082 435 2HG LYS 52 3HG LYS 52 -11.642 3.107 3.662 436 1HD LYS 52 2HD LYS 52 -11.943 3.836 5.723 437 2HD LYS 52 3HD LYS 52 -10.741 5.071 5.444 438 1HE LYS 52 2HE LYS 52 -12.290 6.762 5.088 439 2HE LYS 52 3HE LYS 52 -13.562 5.625 4.573 440 1HZ LYS 52 1HZ LYS 52 -12.662 6.048 7.335 441 2HZ LYS 52 2HZ LYS 52 -14.152 6.320 6.718 442 3HZ LYS 52 3HZ LYS 52 -13.640 4.770 6.854 443 H ASP 53 HN ASP 53 -10.284 5.988 0.232 444 HA ASP 53 HA ASP 53 -12.912 5.495 -0.799 445 1HB ASP 53 2HB ASP 53 -10.648 7.296 -1.731 446 2HB ASP 53 3HB ASP 53 -12.103 7.090 -2.708 447 H ASP 54 HN ASP 54 -9.686 4.771 -2.391 448 HA ASP 54 HA ASP 54 -11.176 3.705 -4.598 449 1HB ASP 54 2HB ASP 54 -9.138 2.817 -5.483 450 2HB ASP 54 3HB ASP 54 -9.110 4.565 -5.176 451 H PHE 55 HN PHE 55 -9.928 2.232 -1.619 452 HA PHE 55 HA PHE 55 -10.387 -0.468 -2.338 453 1HB PHE 55 2HB PHE 55 -9.314 0.426 -0.226 454 2HB PHE 55 3HB PHE 55 -10.905 0.813 0.384 455 HD1 PHE 55 HD1 PHE 55 -9.592 -2.288 -1.356 456 HD2 PHE 55 HD2 PHE 55 -11.369 -0.640 2.200 457 HE1 PHE 55 HE1 PHE 55 -9.390 -4.482 -0.254 458 HE2 PHE 55 HE2 PHE 55 -11.284 -2.877 3.235 459 HZ PHE 55 HZ PHE 55 -10.272 -4.797 2.031 460 H LEU 56 HN LEU 56 -12.578 1.945 -0.936 461 HA LEU 56 HA LEU 56 -14.950 0.319 -0.871 462 1HB LEU 56 2HB LEU 56 -14.458 3.324 -0.973 463 2HB LEU 56 3HB LEU 56 -16.034 2.642 -0.687 464 HG LEU 56 HG LEU 56 -13.617 2.042 1.104 465 1HD1 LEU 56 1HD1 LEU 56 -14.667 3.673 2.675 466 2HD1 LEU 56 2HD1 LEU 56 -14.198 4.437 1.130 467 3HD1 LEU 56 3HD1 LEU 56 -15.903 4.060 1.462 468 1HD2 LEU 56 1HD2 LEU 56 -15.375 1.333 2.731 469 2HD2 LEU 56 2HD2 LEU 56 -16.629 1.601 1.512 470 3HD2 LEU 56 3HD2 LEU 56 -15.407 0.333 1.281 471 H ALA 57 HN ALA 57 -13.484 2.444 -3.313 472 HA ALA 57 HA ALA 57 -15.663 2.182 -5.155 473 1HB ALA 57 1HB ALA 57 -12.746 2.727 -5.823 474 2HB ALA 57 2HB ALA 57 -14.150 3.069 -6.840 475 3HB ALA 57 3HB ALA 57 -13.919 3.973 -5.324 476 H ARG 58 HN ARG 58 -13.226 -0.015 -4.074 477 HA ARG 58 HA ARG 58 -13.377 -1.702 -6.545 478 1HB ARG 58 2HB ARG 58 -11.210 -0.878 -5.033 479 2HB ARG 58 3HB ARG 58 -11.536 -2.328 -4.243 480 1HG ARG 58 2HG ARG 58 -11.408 -2.578 -7.220 481 2HG ARG 58 3HG ARG 58 -9.967 -1.893 -6.480 482 1HD ARG 58 2HD ARG 58 -9.534 -4.162 -6.543 483 2HD ARG 58 3HD ARG 58 -9.843 -3.724 -4.879 484 HE ARG 58 HE ARG 58 -11.970 -4.735 -4.911 485 1HH1 ARG 58 2HH2 ARG 58 -10.584 -5.005 -8.141 486 2HH1 ARG 58 1HH2 ARG 58 -11.900 -5.922 -8.763 487 1HH2 ARG 58 2HH1 ARG 58 -13.637 -5.946 -5.616 488 2HH2 ARG 58 1HH1 ARG 58 -13.816 -6.430 -7.248 489 H GLY 59 HN GLY 59 -15.663 -1.495 -4.671 490 1HA GLY 59 1HA GLY 59 -17.143 -2.896 -3.616 491 2HA GLY 59 2HA GLY 59 -16.508 -4.114 -4.737 492 H TYR 60 HN TYR 60 -15.014 -2.474 -1.871 493 HA TYR 60 HA TYR 60 -14.969 -5.004 -0.372 494 1HB TYR 60 2HB TYR 60 -12.885 -2.797 -0.635 495 2HB TYR 60 3HB TYR 60 -12.994 -3.817 0.761 496 HD1 TYR 60 HD1 TYR 60 -12.492 -6.237 0.680 497 HD2 TYR 60 HD2 TYR 60 -11.744 -3.592 -2.618 498 HE1 TYR 60 HE1 TYR 60 -11.209 -8.009 -0.395 499 HE2 TYR 60 HE2 TYR 60 -10.185 -5.324 -3.589 500 HH TYR 60 HH TYR 60 -9.267 -7.447 -3.398 501 H SER 61 HN SER 61 -14.797 -4.337 1.976 502 HA SER 61 HA SER 61 -16.422 -1.958 2.699 503 1HB SER 61 2HB SER 61 -17.436 -4.340 2.992 504 2HB SER 61 3HB SER 61 -16.147 -4.629 4.167 505 HG SER 61 HG SER 61 -18.489 -3.505 4.474 506 H GLU 62 HN GLU 62 -15.715 -1.143 4.898 507 HA GLU 62 HA GLU 62 -12.879 -0.915 4.898 508 1HB GLU 62 2HB GLU 62 -14.787 -0.127 7.143 509 2HB GLU 62 3HB GLU 62 -13.087 0.342 6.969 510 1HG GLU 62 2HG GLU 62 -13.777 1.299 4.660 511 2HG GLU 62 3HG GLU 62 -15.428 1.105 5.206 512 H GLU 63 HN GLU 63 -15.097 -2.962 6.721 513 HA GLU 63 HA GLU 63 -13.129 -4.026 8.483 514 1HB GLU 63 2HB GLU 63 -15.971 -4.552 7.846 515 2HB GLU 63 3HB GLU 63 -15.079 -6.002 8.262 516 1HG GLU 63 2HG GLU 63 -15.760 -5.380 10.336 517 2HG GLU 63 3HG GLU 63 -14.161 -4.691 10.286 518 H ASP 64 HN ASP 64 -13.406 -4.526 5.106 519 HA ASP 64 HA ASP 64 -12.728 -7.390 5.129 520 1HB ASP 64 2HB ASP 64 -12.718 -5.373 2.852 521 2HB ASP 64 3HB ASP 64 -12.406 -7.101 2.711 522 H SER 65 HN SER 65 -10.952 -4.334 5.168 523 HA SER 65 HA SER 65 -8.589 -5.608 3.972 524 1HB SER 65 2HB SER 65 -8.268 -3.528 3.298 525 2HB SER 65 3HB SER 65 -9.437 -2.868 4.416 526 HG SER 65 HG SER 65 -7.862 -2.193 5.635 527 H LYS 66 HN LYS 66 -6.575 -5.869 5.322 528 HA LYS 66 HA LYS 66 -7.086 -5.871 8.303 529 1HB LYS 66 2HB LYS 66 -5.601 -7.692 8.403 530 2HB LYS 66 3HB LYS 66 -6.466 -7.949 6.890 531 1HG LYS 66 2HG LYS 66 -4.357 -6.633 5.864 532 2HG LYS 66 3HG LYS 66 -3.565 -7.270 7.317 533 1HD LYS 66 2HD LYS 66 -4.369 -9.549 6.648 534 2HD LYS 66 3HD LYS 66 -5.139 -8.776 5.257 535 1HE LYS 66 2HE LYS 66 -3.141 -9.732 4.374 536 2HE LYS 66 3HE LYS 66 -2.802 -8.024 4.493 537 1HZ LYS 66 1HZ LYS 66 -1.010 -9.325 5.345 538 2HZ LYS 66 2HZ LYS 66 -1.675 -8.560 6.653 539 3HZ LYS 66 3HZ LYS 66 -1.965 -10.164 6.373 540 H VAL 67 HN VAL 67 -6.321 -3.368 6.700 541 HA VAL 67 HA VAL 67 -3.913 -2.664 8.280 542 HB VAL 67 HB VAL 67 -2.579 -2.050 6.524 543 1HG1 VAL 67 1HG1 VAL 67 -2.216 -3.920 5.079 544 2HG1 VAL 67 2HG1 VAL 67 -2.584 -4.438 6.724 545 3HG1 VAL 67 3HG1 VAL 67 -3.818 -4.579 5.454 546 1HG2 VAL 67 1HG2 VAL 67 -3.956 -0.729 5.142 547 2HG2 VAL 67 2HG2 VAL 67 -3.247 -1.972 4.120 548 3HG2 VAL 67 3HG2 VAL 67 -4.941 -2.120 4.650 549 HA PRO 68 HA PRO 68 -6.194 0.986 8.767 550 1HB PRO 68 2HB PRO 68 -4.350 3.023 8.808 551 2HB PRO 68 3HB PRO 68 -4.614 1.839 10.123 552 1HG PRO 68 2HG PRO 68 -2.473 1.801 8.006 553 2HG PRO 68 3HG PRO 68 -2.330 1.393 9.744 554 1HD PRO 68 2HD PRO 68 -2.544 -0.405 7.716 555 2HD PRO 68 3HD PRO 68 -3.153 -0.750 9.348 556 H LEU 69 HN LEU 69 -7.577 1.633 7.435 557 HA LEU 69 HA LEU 69 -7.000 2.305 4.624 558 1HB LEU 69 2HB LEU 69 -9.557 2.039 6.298 559 2HB LEU 69 3HB LEU 69 -9.549 2.419 4.580 560 HG LEU 69 HG LEU 69 -8.374 -0.169 5.599 561 1HD1 LEU 69 1HD1 LEU 69 -11.201 0.542 4.693 562 2HD1 LEU 69 2HD1 LEU 69 -10.586 -1.115 4.858 563 3HD1 LEU 69 3HD1 LEU 69 -10.698 -0.084 6.279 564 1HD2 LEU 69 1HD2 LEU 69 -8.537 -0.849 3.306 565 2HD2 LEU 69 2HD2 LEU 69 -9.486 0.599 2.861 566 3HD2 LEU 69 3HD2 LEU 69 -7.789 0.746 3.269 567 H ILE 70 HN ILE 70 -6.364 4.251 4.251 568 HA ILE 70 HA ILE 70 -7.254 6.493 6.001 569 HB ILE 70 HB ILE 70 -5.142 7.442 5.762 570 1HG1 ILE 70 2HG1 ILE 70 -4.333 5.293 3.771 571 2HG1 ILE 70 3HG1 ILE 70 -4.743 6.966 3.363 572 1HG2 ILE 70 1HG2 ILE 70 -4.473 4.538 6.162 573 2HG2 ILE 70 2HG2 ILE 70 -3.805 5.983 6.979 574 3HG2 ILE 70 3HG2 ILE 70 -5.445 5.433 7.318 575 1HD1 ILE 70 1HD1 ILE 70 -2.299 6.528 3.420 576 2HD1 ILE 70 2HD1 ILE 70 -2.833 7.811 4.511 577 3HD1 ILE 70 3HD1 ILE 70 -2.406 6.254 5.174 578 H THR 71 HN THR 71 -6.946 8.744 4.764 579 HA THR 71 HA THR 71 -8.545 8.519 2.313 580 HB THR 71 HB THR 71 -8.536 10.958 2.483 581 HG1 THR 71 HG1 THR 71 -7.626 11.737 4.627 582 1HG2 THR 71 1HG2 THR 71 -10.170 9.493 3.826 583 2HG2 THR 71 2HG2 THR 71 -9.164 9.821 5.251 584 3HG2 THR 71 3HG2 THR 71 -9.968 11.150 4.396 585 H TYR 72 HN TYR 72 -7.801 9.971 0.484 586 HA TYR 72 HA TYR 72 -5.174 9.491 -0.493 587 1HB TYR 72 2HB TYR 72 -7.277 11.599 -1.120 588 2HB TYR 72 3HB TYR 72 -5.745 11.495 -1.953 589 HD1 TYR 72 HD1 TYR 72 -5.239 8.751 -2.562 590 HD2 TYR 72 HD2 TYR 72 -8.992 10.876 -2.607 591 HE1 TYR 72 HE1 TYR 72 -6.042 7.282 -4.358 592 HE2 TYR 72 HE2 TYR 72 -9.810 9.392 -4.424 593 HH TYR 72 HH TYR 72 -7.677 6.850 -5.846 594 H SER 73 HN SER 73 -6.491 12.303 1.445 595 HA SER 73 HA SER 73 -4.053 13.768 1.127 596 1HB SER 73 2HB SER 73 -4.906 15.153 2.935 597 2HB SER 73 3HB SER 73 -6.100 14.862 1.658 598 HG SER 73 HG SER 73 -7.363 13.814 2.935 599 H GLU 74 HN GLU 74 -5.165 11.448 3.595 600 HA GLU 74 HA GLU 74 -2.933 11.729 5.372 601 1HB GLU 74 2HB GLU 74 -4.708 9.353 4.790 602 2HB GLU 74 3HB GLU 74 -3.481 9.375 6.056 603 1HG GLU 74 2HG GLU 74 -5.173 11.682 6.424 604 2HG GLU 74 3HG GLU 74 -6.198 10.264 6.179 605 H PHE 75 HN PHE 75 -3.287 9.957 2.299 606 HA PHE 75 HA PHE 75 -0.773 8.539 2.502 607 1HB PHE 75 2HB PHE 75 -2.263 7.625 1.014 608 2HB PHE 75 3HB PHE 75 -2.738 9.140 0.329 609 HD1 PHE 75 HD1 PHE 75 0.763 7.703 0.596 610 HD2 PHE 75 HD2 PHE 75 -2.466 9.004 -1.960 611 HE1 PHE 75 HE1 PHE 75 2.046 6.989 -1.395 612 HE2 PHE 75 HE2 PHE 75 -1.152 8.361 -3.941 613 HZ PHE 75 HZ PHE 75 1.086 7.286 -3.658 614 H ILE 76 HN ILE 76 -1.748 11.671 1.003 615 HA ILE 76 HA ILE 76 0.794 12.266 -0.066 616 HB ILE 76 HB ILE 76 -1.264 14.253 0.976 617 1HG1 ILE 76 2HG1 ILE 76 -2.428 12.969 -0.619 618 2HG1 ILE 76 3HG1 ILE 76 -1.967 14.426 -1.421 619 1HG2 ILE 76 1HG2 ILE 76 -0.214 15.795 -0.718 620 2HG2 ILE 76 2HG2 ILE 76 0.862 15.365 0.611 621 3HG2 ILE 76 3HG2 ILE 76 1.064 14.582 -0.960 622 1HD1 ILE 76 1HD1 ILE 76 -0.055 13.150 -2.516 623 2HD1 ILE 76 2HD1 ILE 76 -0.699 11.669 -1.774 624 3HD1 ILE 76 3HD1 ILE 76 -1.672 12.569 -2.947 625 H ASP 77 HN ASP 77 -0.448 12.862 3.248 626 HA ASP 77 HA ASP 77 1.758 14.339 4.267 627 1HB ASP 77 2HB ASP 77 -0.224 14.097 5.523 628 2HB ASP 77 3HB ASP 77 -0.092 12.341 5.606 629 H LEU 78 HN LEU 78 1.398 10.906 3.626 630 HA LEU 78 HA LEU 78 3.767 10.214 5.176 631 1HB LEU 78 2HB LEU 78 1.900 8.535 3.463 632 2HB LEU 78 3HB LEU 78 3.235 7.878 4.405 633 HG LEU 78 HG LEU 78 1.023 9.516 5.725 634 1HD1 LEU 78 1HD1 LEU 78 -0.072 7.674 4.580 635 2HD1 LEU 78 2HD1 LEU 78 1.022 6.499 5.325 636 3HD1 LEU 78 3HD1 LEU 78 -0.102 7.437 6.325 637 1HD2 LEU 78 1HD2 LEU 78 1.699 8.303 7.748 638 2HD2 LEU 78 2HD2 LEU 78 3.006 7.497 6.844 639 3HD2 LEU 78 3HD2 LEU 78 3.011 9.255 7.071 640 H LEU 79 HN LEU 79 3.334 11.614 2.210 641 HA LEU 79 HA LEU 79 5.784 10.509 0.922 642 1HB LEU 79 2HB LEU 79 3.879 12.629 -0.122 643 2HB LEU 79 3HB LEU 79 5.267 11.912 -0.916 644 HG LEU 79 HG LEU 79 2.683 10.487 -0.170 645 1HD1 LEU 79 1HD1 LEU 79 2.560 12.028 -2.112 646 2HD1 LEU 79 2HD1 LEU 79 3.901 11.150 -2.883 647 3HD1 LEU 79 3HD1 LEU 79 2.346 10.335 -2.570 648 1HD2 LEU 79 1HD2 LEU 79 4.419 8.849 0.073 649 2HD2 LEU 79 2HD2 LEU 79 3.709 8.586 -1.520 650 3HD2 LEU 79 3HD2 LEU 79 5.264 9.434 -1.375 651 H GLU 80 HN GLU 80 4.632 13.867 1.057 652 HA GLU 80 HA GLU 80 5.916 15.745 1.179 653 1HB GLU 80 2HB GLU 80 5.599 14.993 4.088 654 2HB GLU 80 3HB GLU 80 5.729 16.621 3.411 655 1HG GLU 80 2HG GLU 80 3.513 14.622 3.009 656 2HG GLU 80 3HG GLU 80 3.430 16.069 3.997 657 H GLY 81 HN GLY 81 7.838 14.958 0.171 658 1HA GLY 81 1HA GLY 81 10.126 15.675 0.327 659 2HA GLY 81 2HA GLY 81 10.185 15.183 2.014 660 H GLU 82 HN GLU 82 8.481 12.858 0.101 661 HA GLU 82 HA GLU 82 10.908 11.199 -0.277 662 1HB GLU 82 2HB GLU 82 8.278 10.520 1.113 663 2HB GLU 82 3HB GLU 82 9.365 9.313 0.472 664 1HG GLU 82 2HG GLU 82 10.225 11.323 2.580 665 2HG GLU 82 3HG GLU 82 9.579 9.721 2.934 666 H GLU 83 HN GLU 83 10.917 10.386 -2.343 667 HA GLU 83 HA GLU 83 8.359 9.626 -3.449 668 1HB GLU 83 2HB GLU 83 10.105 11.737 -4.601 669 2HB GLU 83 3HB GLU 83 9.567 10.560 -5.800 670 1HG GLU 83 2HG GLU 83 7.249 10.886 -5.201 671 2HG GLU 83 3HG GLU 83 7.704 12.031 -3.939 672 H LYS 84 HN LYS 84 9.301 7.705 -2.434 673 HA LYS 84 HA LYS 84 10.477 6.065 -4.659 674 1HB LYS 84 2HB LYS 84 11.509 6.283 -1.803 675 2HB LYS 84 3HB LYS 84 11.931 4.928 -2.848 676 1HG LYS 84 2HG LYS 84 13.524 6.003 -3.874 677 2HG LYS 84 3HG LYS 84 12.477 7.349 -4.289 678 1HD LYS 84 2HD LYS 84 13.724 7.048 -1.531 679 2HD LYS 84 3HD LYS 84 14.524 7.885 -2.866 680 1HE LYS 84 2HE LYS 84 12.588 9.387 -3.135 681 2HE LYS 84 3HE LYS 84 11.755 8.618 -1.784 682 1HZ LYS 84 1HZ LYS 84 13.258 10.737 -1.379 683 2HZ LYS 84 2HZ LYS 84 13.235 9.527 -0.286 684 3HZ LYS 84 3HZ LYS 84 14.483 9.650 -1.354 685 H PHE 85 HN PHE 85 7.770 6.314 -3.503 686 HA PHE 85 HA PHE 85 7.112 3.522 -3.497 687 1HB PHE 85 2HB PHE 85 6.318 3.317 -1.140 688 2HB PHE 85 3HB PHE 85 8.025 3.370 -1.266 689 HD1 PHE 85 HD1 PHE 85 9.303 5.567 -0.607 690 HD2 PHE 85 HD2 PHE 85 5.116 4.957 0.155 691 HE1 PHE 85 HE1 PHE 85 9.392 7.257 1.150 692 HE2 PHE 85 HE2 PHE 85 5.144 6.908 1.727 693 HZ PHE 85 HZ PHE 85 7.281 8.044 2.248 694 H ILE 86 HN ILE 86 6.097 5.362 -5.023 695 HA ILE 86 HA ILE 86 3.556 6.338 -3.820 696 HB ILE 86 HB ILE 86 4.315 7.180 -6.541 697 1HG1 ILE 86 2HG1 ILE 86 6.547 7.321 -5.641 698 2HG1 ILE 86 3HG1 ILE 86 5.899 8.901 -5.861 699 1HG2 ILE 86 1HG2 ILE 86 3.363 8.595 -4.026 700 2HG2 ILE 86 2HG2 ILE 86 3.586 9.411 -5.583 701 3HG2 ILE 86 3HG2 ILE 86 2.365 8.138 -5.420 702 1HD1 ILE 86 1HD1 ILE 86 6.088 9.410 -3.587 703 2HD1 ILE 86 2HD1 ILE 86 5.562 7.809 -3.081 704 3HD1 ILE 86 3HD1 ILE 86 7.203 8.023 -3.668 705 H GLY 87 HN GLY 87 1.718 6.374 -5.909 706 1HA GLY 87 1HA GLY 87 2.446 4.990 -8.094 707 2HA GLY 87 2HA GLY 87 1.669 3.749 -7.107 Start of MODEL 10 1 1H MET 1 HN MET 1 -16.089 2.068 -8.940 2 HA MET 1 HA MET 1 -13.812 2.425 -8.341 3 1HB MET 1 2HB MET 1 -13.963 3.012 -6.020 4 2HB MET 1 3HB MET 1 -15.486 3.366 -6.809 5 1HG MET 1 2HG MET 1 -16.202 1.005 -5.878 6 2HG MET 1 3HG MET 1 -14.863 1.255 -4.767 7 1HE MET 1 1HE MET 1 -16.632 1.026 -2.667 8 2HE MET 1 2HE MET 1 -18.191 1.873 -2.682 9 3HE MET 1 3HE MET 1 -17.829 0.671 -3.933 10 H ALA 2 HN ALA 2 -11.991 1.207 -8.493 11 HA ALA 2 HA ALA 2 -11.507 -1.019 -6.714 12 1HB ALA 2 1HB ALA 2 -11.617 -1.483 -9.743 13 2HB ALA 2 2HB ALA 2 -11.040 -2.627 -8.534 14 3HB ALA 2 3HB ALA 2 -12.755 -2.164 -8.561 15 H LEU 3 HN LEU 3 -9.316 -0.965 -6.290 16 HA LEU 3 HA LEU 3 -7.442 0.239 -8.235 17 1HB LEU 3 2HB LEU 3 -7.754 0.853 -5.270 18 2HB LEU 3 3HB LEU 3 -6.380 1.395 -6.246 19 HG LEU 3 HG LEU 3 -9.251 2.137 -6.973 20 1HD1 LEU 3 1HD1 LEU 3 -9.055 4.213 -5.940 21 2HD1 LEU 3 2HD1 LEU 3 -8.745 2.956 -4.726 22 3HD1 LEU 3 3HD1 LEU 3 -7.390 3.886 -5.421 23 1HD2 LEU 3 1HD2 LEU 3 -7.587 2.388 -8.801 24 2HD2 LEU 3 2HD2 LEU 3 -8.218 3.940 -8.249 25 3HD2 LEU 3 3HD2 LEU 3 -6.597 3.410 -7.753 26 H VAL 4 HN VAL 4 -6.681 -1.672 -8.862 27 HA VAL 4 HA VAL 4 -5.724 -3.502 -6.714 28 HB VAL 4 HB VAL 4 -6.601 -5.274 -7.836 29 1HG1 VAL 4 1HG1 VAL 4 -8.939 -5.003 -7.965 30 2HG1 VAL 4 2HG1 VAL 4 -8.319 -3.956 -6.678 31 3HG1 VAL 4 3HG1 VAL 4 -8.787 -3.255 -8.253 32 1HG2 VAL 4 1HG2 VAL 4 -7.841 -4.707 -10.216 33 2HG2 VAL 4 2HG2 VAL 4 -6.384 -3.638 -10.235 34 3HG2 VAL 4 3HG2 VAL 4 -6.197 -5.358 -10.003 35 H LEU 5 HN LEU 5 -4.104 -1.662 -7.618 36 HA LEU 5 HA LEU 5 -2.042 -2.959 -9.022 37 1HB LEU 5 2HB LEU 5 -1.849 -1.286 -10.920 38 2HB LEU 5 3HB LEU 5 -3.024 -2.571 -11.053 39 HG LEU 5 HG LEU 5 -4.462 -0.323 -9.931 40 1HD1 LEU 5 1HD1 LEU 5 -2.907 1.314 -10.698 41 2HD1 LEU 5 2HD1 LEU 5 -2.683 0.495 -12.275 42 3HD1 LEU 5 3HD1 LEU 5 -4.209 1.298 -11.851 43 1HD2 LEU 5 1HD2 LEU 5 -5.668 -0.466 -12.071 44 2HD2 LEU 5 2HD2 LEU 5 -4.397 -1.546 -12.711 45 3HD2 LEU 5 3HD2 LEU 5 -5.398 -2.039 -11.327 46 H VAL 6 HN VAL 6 -0.502 -2.157 -7.468 47 HA VAL 6 HA VAL 6 -0.503 0.769 -7.136 48 HB VAL 6 HB VAL 6 -1.527 -0.065 -5.226 49 1HG1 VAL 6 1HG1 VAL 6 0.799 -2.012 -4.899 50 2HG1 VAL 6 2HG1 VAL 6 -0.502 -1.750 -3.733 51 3HG1 VAL 6 3HG1 VAL 6 -0.896 -2.404 -5.282 52 1HG2 VAL 6 1HG2 VAL 6 -0.130 0.633 -3.392 53 2HG2 VAL 6 2HG2 VAL 6 1.293 0.612 -4.378 54 3HG2 VAL 6 3HG2 VAL 6 -0.027 1.764 -4.734 55 H LYS 7 HN LYS 7 0.814 0.118 -9.121 56 HA LYS 7 HA LYS 7 3.656 0.037 -8.256 57 1HB LYS 7 2HB LYS 7 4.222 -1.155 -10.294 58 2HB LYS 7 3HB LYS 7 3.169 -2.100 -9.265 59 1HG LYS 7 2HG LYS 7 1.488 -2.192 -10.799 60 2HG LYS 7 3HG LYS 7 1.712 -0.521 -11.331 61 1HD LYS 7 2HD LYS 7 3.684 -1.083 -12.636 62 2HD LYS 7 3HD LYS 7 3.613 -2.762 -12.051 63 1HE LYS 7 2HE LYS 7 1.438 -3.090 -13.068 64 2HE LYS 7 3HE LYS 7 1.417 -1.414 -13.638 65 1HZ LYS 7 1HZ LYS 7 3.469 -1.952 -14.931 66 2HZ LYS 7 2HZ LYS 7 3.294 -3.527 -14.528 67 3HZ LYS 7 3HZ LYS 7 2.135 -2.782 -15.430 68 H TYR 8 HN TYR 8 1.911 2.421 -8.653 69 HA TYR 8 HA TYR 8 3.634 3.692 -10.748 70 1HB TYR 8 2HB TYR 8 0.842 3.064 -11.076 71 2HB TYR 8 3HB TYR 8 0.851 4.745 -10.751 72 HD1 TYR 8 HD1 TYR 8 2.124 6.313 -12.329 73 HD2 TYR 8 HD2 TYR 8 1.601 2.098 -13.083 74 HE1 TYR 8 HE1 TYR 8 2.589 6.683 -14.741 75 HE2 TYR 8 HE2 TYR 8 2.048 2.453 -15.455 76 HH TYR 8 HH TYR 8 2.933 3.992 -17.039 77 H GLY 9 HN GLY 9 3.684 3.703 -7.798 78 1HA GLY 9 1HA GLY 9 3.912 5.210 -6.079 79 2HA GLY 9 2HA GLY 9 4.003 6.528 -7.237 80 H THR 10 HN THR 10 2.098 7.551 -7.741 81 HA THR 10 HA THR 10 0.194 7.258 -5.526 82 HB THR 10 HB THR 10 -0.479 9.651 -6.452 83 HG1 THR 10 HG1 THR 10 2.297 9.795 -6.642 84 1HG2 THR 10 1HG2 THR 10 1.935 8.970 -4.697 85 2HG2 THR 10 2HG2 THR 10 1.120 10.553 -4.755 86 3HG2 THR 10 3HG2 THR 10 0.254 9.140 -4.164 87 H ASP 11 HN ASP 11 -0.820 5.296 -6.712 88 HA ASP 11 HA ASP 11 -3.325 6.414 -7.834 89 1HB ASP 11 2HB ASP 11 -1.747 5.759 -9.709 90 2HB ASP 11 3HB ASP 11 -1.959 4.079 -9.206 91 H HIS 12 HN HIS 12 -3.075 5.416 -5.170 92 HA HIS 12 HA HIS 12 -5.303 3.651 -5.231 93 1HB HIS 12 2HB HIS 12 -4.431 1.612 -4.548 94 2HB HIS 12 3HB HIS 12 -3.083 2.138 -5.524 95 HD1 HIS 12 HD1 HIS 12 -2.019 4.218 -3.036 96 HD2 HIS 12 HD2 HIS 12 -3.022 0.129 -2.854 97 HE1 HIS 12 HE1 HIS 12 -0.917 3.318 -0.984 98 HA PRO 13 HA PRO 13 -5.917 5.671 -1.377 99 1HB PRO 13 2HB PRO 13 -7.257 4.001 0.247 100 2HB PRO 13 3HB PRO 13 -7.972 4.501 -1.312 101 1HG PRO 13 2HG PRO 13 -6.570 1.905 -0.676 102 2HG PRO 13 3HG PRO 13 -8.091 2.165 -1.591 103 1HD PRO 13 2HD PRO 13 -5.573 1.857 -2.719 104 2HD PRO 13 3HD PRO 13 -6.914 2.705 -3.526 105 H VAL 14 HN VAL 14 -5.226 5.822 0.992 106 HA VAL 14 HA VAL 14 -4.089 4.248 2.636 107 HB VAL 14 HB VAL 14 -2.095 4.687 0.495 108 1HG1 VAL 14 1HG1 VAL 14 -1.149 4.899 3.379 109 2HG1 VAL 14 2HG1 VAL 14 -0.107 4.579 1.993 110 3HG1 VAL 14 3HG1 VAL 14 -0.954 6.124 2.100 111 1HG2 VAL 14 1HG2 VAL 14 -1.157 2.591 1.514 112 2HG2 VAL 14 2HG2 VAL 14 -2.294 2.743 2.857 113 3HG2 VAL 14 3HG2 VAL 14 -2.843 2.365 1.227 114 H GLU 15 HN GLU 15 -3.699 7.338 1.029 115 HA GLU 15 HA GLU 15 -3.995 8.714 3.678 116 1HB GLU 15 2HB GLU 15 -1.920 9.851 3.381 117 2HB GLU 15 3HB GLU 15 -1.600 8.212 3.064 118 1HG GLU 15 2HG GLU 15 -0.680 8.776 1.177 119 2HG GLU 15 3HG GLU 15 -2.297 9.139 0.557 120 H LYS 16 HN LYS 16 -4.399 8.781 0.262 121 HA LYS 16 HA LYS 16 -6.031 11.234 0.503 122 1HB LYS 16 2HB LYS 16 -3.632 11.196 -0.364 123 2HB LYS 16 3HB LYS 16 -4.249 10.345 -1.787 124 1HG LYS 16 2HG LYS 16 -4.467 12.489 -2.556 125 2HG LYS 16 3HG LYS 16 -6.027 12.368 -1.769 126 1HD LYS 16 2HD LYS 16 -5.108 13.372 0.305 127 2HD LYS 16 3HD LYS 16 -3.498 13.528 -0.449 128 1HE LYS 16 2HE LYS 16 -6.020 14.722 -1.658 129 2HE LYS 16 3HE LYS 16 -5.085 15.564 -0.397 130 1HZ LYS 16 1HZ LYS 16 -3.732 14.607 -2.842 131 2HZ LYS 16 2HZ LYS 16 -4.531 16.078 -2.808 132 3HZ LYS 16 3HZ LYS 16 -3.242 15.772 -1.815 133 H LEU 17 HN LEU 17 -5.377 8.561 -1.895 134 HA LEU 17 HA LEU 17 -7.981 8.655 -2.907 135 1HB LEU 17 2HB LEU 17 -5.688 6.954 -3.186 136 2HB LEU 17 3HB LEU 17 -7.138 5.979 -3.339 137 HG LEU 17 HG LEU 17 -6.415 6.719 -5.506 138 1HD1 LEU 17 1HD1 LEU 17 -8.689 8.175 -5.931 139 2HD1 LEU 17 2HD1 LEU 17 -8.622 6.427 -5.746 140 3HD1 LEU 17 3HD1 LEU 17 -9.067 7.418 -4.360 141 1HD2 LEU 17 1HD2 LEU 17 -6.474 9.080 -6.198 142 2HD2 LEU 17 2HD2 LEU 17 -6.740 9.593 -4.531 143 3HD2 LEU 17 3HD2 LEU 17 -5.241 8.767 -4.982 144 H LYS 18 HN LYS 18 -6.852 7.255 0.052 145 HA LYS 18 HA LYS 18 -9.103 5.537 0.541 146 1HB LYS 18 2HB LYS 18 -8.325 5.122 2.555 147 2HB LYS 18 3HB LYS 18 -6.878 5.924 2.040 148 1HG LYS 18 2HG LYS 18 -9.118 7.377 3.571 149 2HG LYS 18 3HG LYS 18 -7.861 6.478 4.371 150 1HD LYS 18 2HD LYS 18 -6.118 7.817 3.595 151 2HD LYS 18 3HD LYS 18 -7.144 8.597 2.371 152 1HE LYS 18 2HE LYS 18 -6.658 10.078 4.246 153 2HE LYS 18 3HE LYS 18 -8.382 9.772 3.948 154 1HZ LYS 18 1HZ LYS 18 -6.792 8.719 6.178 155 2HZ LYS 18 2HZ LYS 18 -7.842 9.914 6.299 156 3HZ LYS 18 3HZ LYS 18 -8.419 8.411 5.961 157 H ILE 19 HN ILE 19 -8.699 9.053 0.743 158 HA ILE 19 HA ILE 19 -10.987 9.388 2.421 159 HB ILE 19 HB ILE 19 -8.685 10.788 1.519 160 1HG1 ILE 19 2HG1 ILE 19 -10.589 12.293 3.283 161 2HG1 ILE 19 3HG1 ILE 19 -9.972 10.746 3.834 162 1HG2 ILE 19 1HG2 ILE 19 -9.915 11.889 -0.278 163 2HG2 ILE 19 2HG2 ILE 19 -10.992 12.611 0.929 164 3HG2 ILE 19 3HG2 ILE 19 -9.263 13.008 0.946 165 1HD1 ILE 19 1HD1 ILE 19 -8.276 12.205 4.557 166 2HD1 ILE 19 2HD1 ILE 19 -7.594 11.657 3.018 167 3HD1 ILE 19 3HD1 ILE 19 -8.407 13.233 3.121 168 H ARG 20 HN ARG 20 -10.359 9.184 -0.956 169 HA ARG 20 HA ARG 20 -12.841 10.362 -1.922 170 1HB ARG 20 2HB ARG 20 -10.604 8.693 -3.120 171 2HB ARG 20 3HB ARG 20 -12.015 9.129 -4.044 172 1HG ARG 20 2HG ARG 20 -11.286 11.224 -4.400 173 2HG ARG 20 3HG ARG 20 -10.988 11.515 -2.697 174 1HD ARG 20 2HD ARG 20 -8.765 10.764 -2.748 175 2HD ARG 20 3HD ARG 20 -8.998 9.863 -4.256 176 HE ARG 20 HE ARG 20 -8.032 12.479 -4.105 177 1HH1 ARG 20 2HH2 ARG 20 -10.175 10.481 -6.182 178 2HH1 ARG 20 1HH2 ARG 20 -9.677 11.340 -7.602 179 1HH2 ARG 20 2HH1 ARG 20 -7.620 13.666 -5.976 180 2HH2 ARG 20 1HH1 ARG 20 -8.450 13.262 -7.441 181 H SER 21 HN SER 21 -11.597 7.003 -1.295 182 HA SER 21 HA SER 21 -14.284 6.231 -0.534 183 1HB SER 21 2HB SER 21 -14.245 5.802 -2.989 184 2HB SER 21 3HB SER 21 -12.783 4.829 -2.811 185 HG SER 21 HG SER 21 -13.914 3.269 -1.778 186 H ALA 22 HN ALA 22 -13.644 5.591 1.510 187 HA ALA 22 HA ALA 22 -12.880 3.042 1.931 188 1HB ALA 22 1HB ALA 22 -10.582 4.949 2.626 189 2HB ALA 22 2HB ALA 22 -10.669 3.244 3.095 190 3HB ALA 22 3HB ALA 22 -10.478 3.653 1.393 191 H LYS 23 HN LYS 23 -12.340 2.555 4.322 192 HA LYS 23 HA LYS 23 -13.030 4.633 6.199 193 1HB LYS 23 2HB LYS 23 -15.069 2.781 5.336 194 2HB LYS 23 3HB LYS 23 -14.443 2.194 6.827 195 1HG LYS 23 2HG LYS 23 -16.201 3.287 7.593 196 2HG LYS 23 3HG LYS 23 -14.869 4.443 7.875 197 1HD LYS 23 2HD LYS 23 -16.546 4.497 5.318 198 2HD LYS 23 3HD LYS 23 -17.123 5.306 6.795 199 1HE LYS 23 2HE LYS 23 -14.372 5.852 6.436 200 2HE LYS 23 3HE LYS 23 -15.142 6.112 4.871 201 1HZ LYS 23 1HZ LYS 23 -16.716 7.669 5.893 202 2HZ LYS 23 2HZ LYS 23 -15.969 7.458 7.382 203 3HZ LYS 23 3HZ LYS 23 -15.181 8.146 6.159 204 H ALA 24 HN ALA 24 -13.109 2.929 8.515 205 HA ALA 24 HA ALA 24 -10.271 2.436 8.632 206 1HB ALA 24 1HB ALA 24 -12.431 1.581 10.586 207 2HB ALA 24 2HB ALA 24 -10.691 1.582 10.849 208 3HB ALA 24 3HB ALA 24 -11.551 3.120 10.637 209 H GLU 25 HN GLU 25 -13.149 0.559 7.952 210 HA GLU 25 HA GLU 25 -11.857 -2.015 8.312 211 1HB GLU 25 2HB GLU 25 -14.416 -2.316 7.136 212 2HB GLU 25 3HB GLU 25 -14.010 -2.545 8.846 213 1HG GLU 25 2HG GLU 25 -14.614 -0.279 9.398 214 2HG GLU 25 3HG GLU 25 -14.799 0.161 7.689 215 H ASP 26 HN ASP 26 -10.648 -0.421 6.395 216 HA ASP 26 HA ASP 26 -11.318 -1.968 3.947 217 1HB ASP 26 2HB ASP 26 -11.320 0.689 4.312 218 2HB ASP 26 3HB ASP 26 -9.607 0.519 3.910 219 H LYS 27 HN LYS 27 -9.124 -2.414 2.530 220 HA LYS 27 HA LYS 27 -6.819 -2.946 4.306 221 1HB LYS 27 2HB LYS 27 -8.405 -4.986 2.688 222 2HB LYS 27 3HB LYS 27 -6.681 -5.176 3.005 223 1HG LYS 27 2HG LYS 27 -6.958 -5.987 4.981 224 2HG LYS 27 3HG LYS 27 -7.949 -4.649 5.535 225 1HD LYS 27 2HD LYS 27 -9.056 -7.015 3.946 226 2HD LYS 27 3HD LYS 27 -8.894 -7.007 5.710 227 1HE LYS 27 2HE LYS 27 -10.264 -4.891 5.791 228 2HE LYS 27 3HE LYS 27 -10.589 -5.096 4.057 229 1HZ LYS 27 1HZ LYS 27 -11.617 -7.260 4.612 230 2HZ LYS 27 2HZ LYS 27 -11.379 -6.986 6.213 231 3HZ LYS 27 3HZ LYS 27 -12.358 -6.000 5.355 232 H ILE 28 HN ILE 28 -4.786 -2.683 3.181 233 HA ILE 28 HA ILE 28 -4.818 -2.396 0.285 234 HB ILE 28 HB ILE 28 -3.579 -0.154 1.744 235 1HG1 ILE 28 2HG1 ILE 28 -6.536 0.230 1.107 236 2HG1 ILE 28 3HG1 ILE 28 -6.029 -0.276 2.727 237 1HG2 ILE 28 1HG2 ILE 28 -5.252 -0.431 -0.810 238 2HG2 ILE 28 2HG2 ILE 28 -4.317 1.002 -0.341 239 3HG2 ILE 28 3HG2 ILE 28 -3.485 -0.498 -0.706 240 1HD1 ILE 28 1HD1 ILE 28 -6.044 2.026 2.935 241 2HD1 ILE 28 2HD1 ILE 28 -4.357 1.616 2.734 242 3HD1 ILE 28 3HD1 ILE 28 -5.281 2.267 1.366 243 H VAL 29 HN VAL 29 -2.521 -2.170 -0.534 244 HA VAL 29 HA VAL 29 -0.316 -2.623 1.307 245 HB VAL 29 HB VAL 29 -1.264 -4.597 -0.753 246 1HG1 VAL 29 1HG1 VAL 29 0.883 -5.787 -0.771 247 2HG1 VAL 29 2HG1 VAL 29 1.047 -4.217 -1.514 248 3HG1 VAL 29 3HG1 VAL 29 1.651 -4.480 0.145 249 1HG2 VAL 29 1HG2 VAL 29 -0.455 -4.625 2.123 250 2HG2 VAL 29 2HG2 VAL 29 -1.883 -5.306 1.341 251 3HG2 VAL 29 3HG2 VAL 29 -0.293 -6.103 1.211 252 H LEU 30 HN LEU 30 1.830 -2.123 0.111 253 HA LEU 30 HA LEU 30 1.439 -0.679 -2.493 254 1HB LEU 30 2HB LEU 30 3.819 0.206 -1.061 255 2HB LEU 30 3HB LEU 30 2.601 1.209 -1.809 256 HG LEU 30 HG LEU 30 2.323 0.094 1.036 257 1HD1 LEU 30 1HD1 LEU 30 4.297 1.738 0.749 258 2HD1 LEU 30 2HD1 LEU 30 3.215 2.868 -0.035 259 3HD1 LEU 30 3HD1 LEU 30 2.956 2.439 1.669 260 1HD2 LEU 30 1HD2 LEU 30 0.741 1.910 1.218 261 2HD2 LEU 30 2HD2 LEU 30 0.970 2.361 -0.497 262 3HD2 LEU 30 3HD2 LEU 30 0.231 0.814 -0.092 263 H ILE 31 HN ILE 31 2.898 -0.938 -4.122 264 HA ILE 31 HA ILE 31 5.243 -2.610 -3.603 265 HB ILE 31 HB ILE 31 4.864 -4.141 -5.227 266 1HG1 ILE 31 2HG1 ILE 31 2.496 -2.680 -6.341 267 2HG1 ILE 31 3HG1 ILE 31 4.036 -2.610 -7.035 268 1HG2 ILE 31 1HG2 ILE 31 2.105 -3.837 -4.025 269 2HG2 ILE 31 2HG2 ILE 31 2.835 -5.323 -4.659 270 3HG2 ILE 31 3HG2 ILE 31 3.516 -4.544 -3.236 271 1HD1 ILE 31 1HD1 ILE 31 2.322 -5.078 -6.854 272 2HD1 ILE 31 2HD1 ILE 31 2.810 -4.191 -8.312 273 3HD1 ILE 31 3HD1 ILE 31 4.027 -5.105 -7.316 274 H GLN 32 HN GLN 32 6.335 -2.773 -6.003 275 HA GLN 32 HA GLN 32 7.957 -1.623 -6.914 276 1HB GLN 32 2HB GLN 32 5.561 -0.837 -8.543 277 2HB GLN 32 3HB GLN 32 7.237 -0.731 -9.098 278 1HG GLN 32 2HG GLN 32 6.262 -3.331 -8.104 279 2HG GLN 32 3HG GLN 32 5.794 -2.813 -9.712 280 1HE2 GLN 32 1HE2 GLN 32 8.522 -3.876 -7.736 281 2HE2 GLN 32 2HE2 GLN 32 9.709 -3.966 -9.034 282 H ASN 33 HN ASN 33 6.256 0.958 -8.286 283 HA ASN 33 HA ASN 33 7.717 2.985 -6.719 284 1HB ASN 33 2HB ASN 33 5.625 3.383 -8.945 285 2HB ASN 33 3HB ASN 33 6.438 4.623 -8.112 286 1HD2 ASN 33 1HD2 ASN 33 8.473 1.724 -8.935 287 2HD2 ASN 33 2HD2 ASN 33 9.419 2.688 -10.056 288 H GLY 34 HN GLY 34 4.598 1.506 -6.437 289 1HA GLY 34 1HA GLY 34 2.856 3.384 -5.262 290 2HA GLY 34 2HA GLY 34 2.927 1.683 -5.017 291 H VAL 35 HN VAL 35 5.660 1.616 -3.969 292 HA VAL 35 HA VAL 35 5.420 1.916 -1.248 293 HB VAL 35 HB VAL 35 7.883 2.161 -1.292 294 1HG1 VAL 35 1HG1 VAL 35 7.119 0.005 -3.275 295 2HG1 VAL 35 2HG1 VAL 35 8.288 -0.067 -1.930 296 3HG1 VAL 35 3HG1 VAL 35 6.549 -0.052 -1.605 297 1HG2 VAL 35 1HG2 VAL 35 7.579 2.474 -4.262 298 2HG2 VAL 35 2HG2 VAL 35 8.527 3.427 -3.133 299 3HG2 VAL 35 3HG2 VAL 35 9.041 1.787 -3.524 300 H PHE 36 HN PHE 36 5.872 4.590 -3.576 301 HA PHE 36 HA PHE 36 6.757 6.705 -2.085 302 1HB PHE 36 2HB PHE 36 4.666 6.385 -4.245 303 2HB PHE 36 3HB PHE 36 4.857 7.933 -3.465 304 HD1 PHE 36 HD1 PHE 36 7.897 5.833 -4.105 305 HD2 PHE 36 HD2 PHE 36 5.411 9.102 -5.450 306 HE1 PHE 36 HE1 PHE 36 9.720 6.639 -5.544 307 HE2 PHE 36 HE2 PHE 36 7.254 9.906 -6.886 308 HZ PHE 36 HZ PHE 36 9.422 8.703 -6.909 309 H TRP 37 HN TRP 37 3.548 5.228 -1.829 310 HA TRP 37 HA TRP 37 2.384 7.430 -0.382 311 1HB TRP 37 2HB TRP 37 1.520 4.538 -0.338 312 2HB TRP 37 3HB TRP 37 0.616 5.899 0.282 313 HD1 TRP 37 HD1 TRP 37 1.147 3.950 -2.841 314 HE1 TRP 37 HE1 TRP 37 -0.282 4.883 -4.694 315 HE3 TRP 37 HE3 TRP 37 -0.144 8.466 -0.808 316 HZ2 TRP 37 HZ2 TRP 37 -2.420 6.985 -4.939 317 HZ3 TRP 37 HZ3 TRP 37 -1.955 9.832 -1.795 318 HH2 TRP 37 HH2 TRP 37 -3.190 9.035 -3.809 319 H ALA 38 HN ALA 38 4.747 5.140 0.699 320 HA ALA 38 HA ALA 38 3.991 5.379 3.560 321 1HB ALA 38 1HB ALA 38 5.898 3.827 3.878 322 2HB ALA 38 2HB ALA 38 4.760 3.144 2.723 323 3HB ALA 38 3HB ALA 38 6.261 3.902 2.150 324 H LEU 39 HN LEU 39 4.556 7.765 2.071 325 HA LEU 39 HA LEU 39 6.209 9.073 3.973 326 1HB LEU 39 2HB LEU 39 8.101 9.663 2.428 327 2HB LEU 39 3HB LEU 39 8.018 8.104 3.203 328 HG LEU 39 HG LEU 39 7.143 7.141 0.966 329 1HD1 LEU 39 1HD1 LEU 39 8.510 9.652 -0.043 330 2HD1 LEU 39 2HD1 LEU 39 7.890 8.284 -1.019 331 3HD1 LEU 39 3HD1 LEU 39 6.766 9.321 -0.159 332 1HD2 LEU 39 1HD2 LEU 39 9.971 8.076 1.483 333 2HD2 LEU 39 2HD2 LEU 39 9.223 6.553 2.013 334 3HD2 LEU 39 3HD2 LEU 39 9.505 6.856 0.288 335 H GLU 40 HN GLU 40 3.656 9.383 3.034 336 HA GLU 40 HA GLU 40 3.710 12.044 1.682 337 1HB GLU 40 2HB GLU 40 1.528 9.955 1.785 338 2HB GLU 40 3HB GLU 40 1.472 11.556 0.973 339 1HG GLU 40 2HG GLU 40 3.519 9.548 0.183 340 2HG GLU 40 3HG GLU 40 1.878 9.492 -0.441 341 H GLU 41 HN GLU 41 0.941 12.527 2.478 342 HA GLU 41 HA GLU 41 1.719 13.914 4.986 343 1HB GLU 41 2HB GLU 41 0.779 15.925 3.949 344 2HB GLU 41 3HB GLU 41 2.052 15.267 2.940 345 1HG GLU 41 2HG GLU 41 0.660 14.794 1.205 346 2HG GLU 41 3HG GLU 41 -0.633 14.236 2.235 347 H LEU 42 HN LEU 42 0.122 11.688 5.043 348 HA LEU 42 HA LEU 42 -2.283 12.431 6.526 349 1HB LEU 42 2HB LEU 42 -2.154 12.055 3.657 350 2HB LEU 42 3HB LEU 42 -3.374 10.977 4.345 351 HG LEU 42 HG LEU 42 -3.474 13.886 5.076 352 1HD1 LEU 42 1HD1 LEU 42 -3.957 12.856 2.251 353 2HD1 LEU 42 2HD1 LEU 42 -4.530 14.438 2.819 354 3HD1 LEU 42 3HD1 LEU 42 -2.801 14.091 2.757 355 1HD2 LEU 42 1HD2 LEU 42 -5.745 13.701 5.147 356 2HD2 LEU 42 2HD2 LEU 42 -5.825 12.559 3.827 357 3HD2 LEU 42 3HD2 LEU 42 -5.341 11.996 5.453 358 H GLU 43 HN GLU 43 -3.666 10.084 6.260 359 HA GLU 43 HA GLU 43 -2.036 7.737 6.130 360 1HB GLU 43 2HB GLU 43 -2.489 7.037 8.492 361 2HB GLU 43 3HB GLU 43 -1.408 8.421 8.399 362 1HG GLU 43 2HG GLU 43 -3.302 9.960 8.840 363 2HG GLU 43 3HG GLU 43 -4.391 8.574 8.897 364 H THR 44 HN THR 44 -3.501 5.909 6.702 365 HA THR 44 HA THR 44 -6.443 6.380 6.416 366 HB THR 44 HB THR 44 -5.341 5.207 4.440 367 HG1 THR 44 HG1 THR 44 -6.982 3.650 4.300 368 1HG2 THR 44 1HG2 THR 44 -5.231 2.851 6.278 369 2HG2 THR 44 2HG2 THR 44 -4.697 3.037 4.587 370 3HG2 THR 44 3HG2 THR 44 -3.901 3.922 5.909 371 HA PRO 45 HA PRO 45 -6.595 3.925 10.164 372 1HB PRO 45 2HB PRO 45 -9.284 3.597 10.318 373 2HB PRO 45 3HB PRO 45 -8.475 5.101 10.770 374 1HG PRO 45 2HG PRO 45 -9.987 4.443 8.226 375 2HG PRO 45 3HG PRO 45 -9.955 5.963 9.154 376 1HD PRO 45 2HD PRO 45 -8.439 5.386 6.914 377 2HD PRO 45 3HD PRO 45 -8.013 6.638 8.082 378 H ALA 46 HN ALA 46 -7.032 2.917 7.021 379 HA ALA 46 HA ALA 46 -8.207 0.280 7.306 380 1HB ALA 46 1HB ALA 46 -7.604 0.124 4.939 381 2HB ALA 46 2HB ALA 46 -8.374 1.691 5.282 382 3HB ALA 46 3HB ALA 46 -6.612 1.559 5.066 383 H LYS 47 HN LYS 47 -6.596 -1.648 6.174 384 HA LYS 47 HA LYS 47 -4.148 -1.722 7.779 385 1HB LYS 47 2HB LYS 47 -5.384 -3.557 5.665 386 2HB LYS 47 3HB LYS 47 -3.808 -3.834 6.358 387 1HG LYS 47 2HG LYS 47 -4.805 -3.866 8.634 388 2HG LYS 47 3HG LYS 47 -6.363 -3.559 7.912 389 1HD LYS 47 2HD LYS 47 -6.738 -5.740 7.873 390 2HD LYS 47 3HD LYS 47 -5.538 -5.850 6.575 391 1HE LYS 47 2HE LYS 47 -3.831 -6.553 8.050 392 2HE LYS 47 3HE LYS 47 -4.654 -5.910 9.474 393 1HZ LYS 47 1HZ LYS 47 -5.494 -8.351 8.005 394 2HZ LYS 47 2HZ LYS 47 -4.738 -8.281 9.427 395 3HZ LYS 47 3HZ LYS 47 -6.255 -7.699 9.307 396 H VAL 48 HN VAL 48 -2.012 -1.257 7.022 397 HA VAL 48 HA VAL 48 -1.631 -0.585 4.206 398 HB VAL 48 HB VAL 48 -0.904 1.172 6.614 399 1HG1 VAL 48 1HG1 VAL 48 -0.486 1.690 3.646 400 2HG1 VAL 48 2HG1 VAL 48 -0.178 2.837 4.958 401 3HG1 VAL 48 3HG1 VAL 48 0.791 1.355 4.825 402 1HG2 VAL 48 1HG2 VAL 48 -3.175 1.589 6.282 403 2HG2 VAL 48 2HG2 VAL 48 -2.397 2.788 5.223 404 3HG2 VAL 48 3HG2 VAL 48 -3.088 1.304 4.534 405 H TYR 49 HN TYR 49 0.181 -1.472 3.554 406 HA TYR 49 HA TYR 49 2.317 -2.369 5.347 407 1HB TYR 49 2HB TYR 49 0.318 -4.199 4.008 408 2HB TYR 49 3HB TYR 49 1.853 -4.715 4.654 409 HD1 TYR 49 HD1 TYR 49 -1.704 -4.308 5.605 410 HD2 TYR 49 HD2 TYR 49 2.362 -4.336 7.131 411 HE1 TYR 49 HE1 TYR 49 -2.509 -4.857 7.843 412 HE2 TYR 49 HE2 TYR 49 1.537 -4.769 9.375 413 HH TYR 49 HH TYR 49 -1.691 -5.799 9.974 414 H ALA 50 HN ALA 50 4.054 -1.934 3.988 415 HA ALA 50 HA ALA 50 3.559 -1.891 1.028 416 1HB ALA 50 1HB ALA 50 5.208 -0.270 0.945 417 2HB ALA 50 2HB ALA 50 4.271 0.138 2.370 418 3HB ALA 50 3HB ALA 50 5.824 -0.652 2.574 419 H ILE 51 HN ILE 51 5.005 -3.144 -0.339 420 HA ILE 51 HA ILE 51 6.167 -5.491 0.976 421 HB ILE 51 HB ILE 51 6.005 -4.681 -1.983 422 1HG1 ILE 51 2HG1 ILE 51 3.809 -5.196 -1.169 423 2HG1 ILE 51 3HG1 ILE 51 4.403 -6.464 -2.239 424 1HG2 ILE 51 1HG2 ILE 51 7.965 -6.113 -1.631 425 2HG2 ILE 51 2HG2 ILE 51 6.988 -7.311 -0.782 426 3HG2 ILE 51 3HG2 ILE 51 6.728 -6.953 -2.506 427 1HD1 ILE 51 1HD1 ILE 51 3.872 -6.524 0.720 428 2HD1 ILE 51 2HD1 ILE 51 3.324 -7.621 -0.566 429 3HD1 ILE 51 3HD1 ILE 51 4.985 -7.718 0.008 430 H LYS 52 HN LYS 52 7.884 -5.503 1.918 431 HA LYS 52 HA LYS 52 9.960 -3.687 1.829 432 1HB LYS 52 2HB LYS 52 9.444 -5.474 3.536 433 2HB LYS 52 3HB LYS 52 10.193 -6.668 2.475 434 1HG LYS 52 2HG LYS 52 12.339 -5.681 2.736 435 2HG LYS 52 3HG LYS 52 11.678 -4.149 3.344 436 1HD LYS 52 2HD LYS 52 12.616 -5.275 5.230 437 2HD LYS 52 3HD LYS 52 10.844 -5.343 5.359 438 1HE LYS 52 2HE LYS 52 10.864 -7.651 4.486 439 2HE LYS 52 3HE LYS 52 12.637 -7.616 4.412 440 1HZ LYS 52 1HZ LYS 52 11.485 -8.600 6.452 441 2HZ LYS 52 2HZ LYS 52 12.760 -7.563 6.726 442 3HZ LYS 52 3HZ LYS 52 11.194 -7.066 6.901 443 H ASP 53 HN ASP 53 9.779 -6.748 0.016 444 HA ASP 53 HA ASP 53 12.184 -6.657 -1.393 445 1HB ASP 53 2HB ASP 53 9.652 -8.067 -1.542 446 2HB ASP 53 3HB ASP 53 9.898 -7.428 -3.146 447 H ASP 54 HN ASP 54 9.098 -5.051 -2.373 448 HA ASP 54 HA ASP 54 10.210 -3.885 -4.728 449 1HB ASP 54 2HB ASP 54 7.704 -3.381 -3.094 450 2HB ASP 54 3HB ASP 54 8.152 -2.381 -4.467 451 H PHE 55 HN PHE 55 9.636 -2.585 -1.429 452 HA PHE 55 HA PHE 55 10.532 0.048 -1.842 453 1HB PHE 55 2HB PHE 55 9.573 -1.366 0.293 454 2HB PHE 55 3HB PHE 55 11.210 -1.364 0.711 455 HD1 PHE 55 HD1 PHE 55 12.263 0.685 1.699 456 HD2 PHE 55 HD2 PHE 55 8.218 0.774 0.265 457 HE1 PHE 55 HE1 PHE 55 11.983 2.962 2.544 458 HE2 PHE 55 HE2 PHE 55 7.981 3.075 1.051 459 HZ PHE 55 HZ PHE 55 9.901 4.236 2.144 460 H LEU 56 HN LEU 56 12.335 -2.880 -1.060 461 HA LEU 56 HA LEU 56 14.992 -1.755 -0.801 462 1HB LEU 56 2HB LEU 56 13.918 -4.525 -1.415 463 2HB LEU 56 3HB LEU 56 15.611 -4.149 -1.222 464 HG LEU 56 HG LEU 56 13.524 -3.587 0.907 465 1HD1 LEU 56 1HD1 LEU 56 15.332 -6.038 0.497 466 2HD1 LEU 56 2HD1 LEU 56 14.478 -5.702 2.008 467 3HD1 LEU 56 3HD1 LEU 56 13.561 -5.999 0.519 468 1HD2 LEU 56 1HD2 LEU 56 15.669 -2.335 1.229 469 2HD2 LEU 56 2HD2 LEU 56 15.480 -3.573 2.469 470 3HD2 LEU 56 3HD2 LEU 56 16.582 -3.839 1.100 471 H ALA 57 HN ALA 57 13.181 -3.277 -3.430 472 HA ALA 57 HA ALA 57 15.273 -3.051 -5.344 473 1HB ALA 57 1HB ALA 57 13.374 -4.643 -5.493 474 2HB ALA 57 2HB ALA 57 12.245 -3.288 -5.691 475 3HB ALA 57 3HB ALA 57 13.450 -3.618 -6.930 476 H ARG 58 HN ARG 58 13.334 -0.659 -3.852 477 HA ARG 58 HA ARG 58 13.585 1.180 -6.241 478 1HB ARG 58 2HB ARG 58 11.479 0.650 -4.341 479 2HB ARG 58 3HB ARG 58 12.036 2.160 -3.917 480 1HG ARG 58 2HG ARG 58 11.602 1.833 -6.876 481 2HG ARG 58 3HG ARG 58 10.188 1.582 -5.871 482 1HD ARG 58 2HD ARG 58 10.291 3.917 -6.580 483 2HD ARG 58 3HD ARG 58 10.415 3.772 -4.828 484 HE ARG 58 HE ARG 58 12.607 4.502 -4.870 485 1HH1 ARG 58 2HH2 ARG 58 11.718 3.752 -8.222 486 2HH1 ARG 58 1HH2 ARG 58 13.239 4.273 -8.858 487 1HH2 ARG 58 2HH1 ARG 58 14.440 5.395 -5.678 488 2HH2 ARG 58 1HH1 ARG 58 14.805 5.340 -7.380 489 H GLY 59 HN GLY 59 15.881 0.444 -4.459 490 1HA GLY 59 1HA GLY 59 17.644 1.516 -3.457 491 2HA GLY 59 2HA GLY 59 17.209 2.890 -4.480 492 H TYR 60 HN TYR 60 15.461 1.423 -1.649 493 HA TYR 60 HA TYR 60 15.633 4.080 -0.228 494 1HB TYR 60 2HB TYR 60 13.316 2.219 -0.650 495 2HB TYR 60 3HB TYR 60 13.502 2.952 0.903 496 HD1 TYR 60 HD1 TYR 60 12.974 5.212 1.351 497 HD2 TYR 60 HD2 TYR 60 12.736 3.646 -2.624 498 HE1 TYR 60 HE1 TYR 60 12.012 7.342 0.604 499 HE2 TYR 60 HE2 TYR 60 11.601 5.742 -3.383 500 HH TYR 60 HH TYR 60 11.661 8.578 -1.434 501 H SER 61 HN SER 61 15.173 3.526 2.333 502 HA SER 61 HA SER 61 16.286 0.861 2.940 503 1HB SER 61 2HB SER 61 17.708 1.824 4.656 504 2HB SER 61 3HB SER 61 18.082 2.565 3.101 505 HG SER 61 HG SER 61 16.482 4.285 3.880 506 H GLU 62 HN GLU 62 15.808 0.300 5.258 507 HA GLU 62 HA GLU 62 13.013 0.089 5.041 508 1HB GLU 62 2HB GLU 62 15.014 -0.898 7.103 509 2HB GLU 62 3HB GLU 62 13.342 -1.469 6.994 510 1HG GLU 62 2HG GLU 62 13.720 -2.499 4.865 511 2HG GLU 62 3HG GLU 62 15.167 -1.608 4.557 512 H GLU 63 HN GLU 63 15.114 2.079 7.058 513 HA GLU 63 HA GLU 63 13.098 2.850 8.955 514 1HB GLU 63 2HB GLU 63 15.793 3.147 8.844 515 2HB GLU 63 3HB GLU 63 15.335 4.722 8.204 516 1HG GLU 63 2HG GLU 63 15.490 5.128 10.493 517 2HG GLU 63 3HG GLU 63 13.764 4.828 10.339 518 H ASP 64 HN ASP 64 13.747 3.775 5.621 519 HA ASP 64 HA ASP 64 12.828 6.491 5.758 520 1HB ASP 64 2HB ASP 64 12.974 4.637 3.411 521 2HB ASP 64 3HB ASP 64 12.513 6.327 3.317 522 H SER 65 HN SER 65 11.200 3.357 5.513 523 HA SER 65 HA SER 65 8.828 4.418 4.254 524 1HB SER 65 2HB SER 65 9.473 2.059 3.938 525 2HB SER 65 3HB SER 65 9.437 1.775 5.665 526 HG SER 65 HG SER 65 7.416 1.341 5.511 527 H LYS 66 HN LYS 66 7.182 5.511 5.389 528 HA LYS 66 HA LYS 66 7.059 5.203 8.361 529 1HB LYS 66 2HB LYS 66 5.572 7.058 8.348 530 2HB LYS 66 3HB LYS 66 6.957 7.434 7.298 531 1HG LYS 66 2HG LYS 66 5.737 7.618 5.459 532 2HG LYS 66 3HG LYS 66 4.556 6.376 5.883 533 1HD LYS 66 2HD LYS 66 3.586 8.059 7.520 534 2HD LYS 66 3HD LYS 66 4.678 9.270 6.804 535 1HE LYS 66 2HE LYS 66 3.183 9.617 5.121 536 2HE LYS 66 3HE LYS 66 3.427 7.965 4.591 537 1HZ LYS 66 1HZ LYS 66 1.199 7.976 5.037 538 2HZ LYS 66 2HZ LYS 66 1.722 7.501 6.534 539 3HZ LYS 66 3HZ LYS 66 1.277 9.047 6.264 540 H VAL 67 HN VAL 67 6.399 2.799 6.793 541 HA VAL 67 HA VAL 67 3.919 2.211 8.142 542 HB VAL 67 HB VAL 67 2.542 1.667 6.386 543 1HG1 VAL 67 1HG1 VAL 67 2.415 3.365 4.642 544 2HG1 VAL 67 2HG1 VAL 67 2.595 4.010 6.275 545 3HG1 VAL 67 3HG1 VAL 67 3.983 3.999 5.183 546 1HG2 VAL 67 1HG2 VAL 67 3.927 0.133 5.158 547 2HG2 VAL 67 2HG2 VAL 67 3.188 1.260 4.039 548 3HG2 VAL 67 3HG2 VAL 67 4.910 1.455 4.509 549 HA PRO 68 HA PRO 68 6.119 -1.467 8.572 550 1HB PRO 68 2HB PRO 68 4.250 -3.518 8.526 551 2HB PRO 68 3HB PRO 68 4.409 -2.349 9.868 552 1HG PRO 68 2HG PRO 68 2.478 -2.282 7.586 553 2HG PRO 68 3HG PRO 68 2.171 -1.889 9.300 554 1HD PRO 68 2HD PRO 68 2.552 -0.141 7.260 555 2HD PRO 68 3HD PRO 68 2.948 0.273 8.946 556 H LEU 69 HN LEU 69 7.293 -2.884 7.514 557 HA LEU 69 HA LEU 69 6.893 -3.051 4.566 558 1HB LEU 69 2HB LEU 69 9.340 -2.989 6.365 559 2HB LEU 69 3HB LEU 69 9.455 -3.404 4.655 560 HG LEU 69 HG LEU 69 8.595 -0.714 5.784 561 1HD1 LEU 69 1HD1 LEU 69 10.790 0.026 4.823 562 2HD1 LEU 69 2HD1 LEU 69 10.991 -1.158 6.114 563 3HD1 LEU 69 3HD1 LEU 69 11.177 -1.654 4.426 564 1HD2 LEU 69 1HD2 LEU 69 8.999 -1.697 2.918 565 2HD2 LEU 69 2HD2 LEU 69 7.493 -1.124 3.701 566 3HD2 LEU 69 3HD2 LEU 69 8.790 0.009 3.395 567 H ILE 70 HN ILE 70 5.823 -4.795 4.227 568 HA ILE 70 HA ILE 70 6.391 -7.236 5.804 569 HB ILE 70 HB ILE 70 4.270 -7.950 5.166 570 1HG1 ILE 70 2HG1 ILE 70 3.839 -5.644 3.252 571 2HG1 ILE 70 3HG1 ILE 70 4.248 -7.311 2.766 572 1HG2 ILE 70 1HG2 ILE 70 2.852 -6.372 6.192 573 2HG2 ILE 70 2HG2 ILE 70 4.429 -6.228 6.928 574 3HG2 ILE 70 3HG2 ILE 70 3.923 -5.012 5.742 575 1HD1 ILE 70 1HD1 ILE 70 2.301 -8.215 3.556 576 2HD1 ILE 70 2HD1 ILE 70 1.734 -6.780 4.358 577 3HD1 ILE 70 3HD1 ILE 70 1.840 -6.812 2.583 578 H THR 71 HN THR 71 6.282 -9.362 4.508 579 HA THR 71 HA THR 71 7.764 -9.037 1.961 580 HB THR 71 HB THR 71 7.759 -11.597 2.131 581 HG1 THR 71 HG1 THR 71 6.237 -11.542 4.038 582 1HG2 THR 71 1HG2 THR 71 9.268 -9.877 4.151 583 2HG2 THR 71 2HG2 THR 71 9.755 -11.490 3.624 584 3HG2 THR 71 3HG2 THR 71 9.736 -10.159 2.462 585 H TYR 72 HN TYR 72 6.989 -10.444 0.035 586 HA TYR 72 HA TYR 72 4.396 -9.908 -0.836 587 1HB TYR 72 2HB TYR 72 6.468 -12.041 -1.434 588 2HB TYR 72 3HB TYR 72 4.842 -12.296 -2.024 589 HD1 TYR 72 HD1 TYR 72 6.360 -12.621 -4.020 590 HD2 TYR 72 HD2 TYR 72 5.386 -8.755 -2.378 591 HE1 TYR 72 HE1 TYR 72 6.752 -11.606 -6.196 592 HE2 TYR 72 HE2 TYR 72 5.833 -7.703 -4.584 593 HH TYR 72 HH TYR 72 6.268 -9.758 -7.447 594 H SER 73 HN SER 73 5.473 -12.945 0.882 595 HA SER 73 HA SER 73 2.996 -14.161 0.653 596 1HB SER 73 2HB SER 73 4.811 -14.569 3.048 597 2HB SER 73 3HB SER 73 3.784 -15.722 2.131 598 HG SER 73 HG SER 73 5.792 -16.092 1.318 599 H GLU 74 HN GLU 74 3.962 -11.649 2.899 600 HA GLU 74 HA GLU 74 1.848 -12.143 4.850 601 1HB GLU 74 2HB GLU 74 4.068 -10.128 4.489 602 2HB GLU 74 3HB GLU 74 2.636 -9.672 5.409 603 1HG GLU 74 2HG GLU 74 3.039 -11.975 6.645 604 2HG GLU 74 3HG GLU 74 4.678 -11.819 5.991 605 H PHE 75 HN PHE 75 2.223 -10.502 1.766 606 HA PHE 75 HA PHE 75 -0.044 -8.709 2.169 607 1HB PHE 75 2HB PHE 75 1.496 -7.936 0.599 608 2HB PHE 75 3HB PHE 75 1.716 -9.472 -0.157 609 HD1 PHE 75 HD1 PHE 75 1.384 -9.123 -2.405 610 HD2 PHE 75 HD2 PHE 75 -1.568 -7.665 0.395 611 HE1 PHE 75 HE1 PHE 75 -0.006 -8.288 -4.274 612 HE2 PHE 75 HE2 PHE 75 -2.886 -6.742 -1.484 613 HZ PHE 75 HZ PHE 75 -2.103 -7.061 -3.829 614 H ILE 76 HN ILE 76 0.631 -11.815 0.459 615 HA ILE 76 HA ILE 76 -1.901 -12.298 -0.600 616 HB ILE 76 HB ILE 76 0.096 -14.351 0.510 617 1HG1 ILE 76 2HG1 ILE 76 1.287 -13.078 -1.059 618 2HG1 ILE 76 3HG1 ILE 76 0.812 -14.534 -1.884 619 1HG2 ILE 76 1HG2 ILE 76 -2.150 -15.393 0.086 620 2HG2 ILE 76 2HG2 ILE 76 -2.146 -14.720 -1.544 621 3HG2 ILE 76 3HG2 ILE 76 -0.944 -15.940 -1.083 622 1HD1 ILE 76 1HD1 ILE 76 -1.041 -13.221 -3.007 623 2HD1 ILE 76 2HD1 ILE 76 -0.378 -11.752 -2.246 624 3HD1 ILE 76 3HD1 ILE 76 0.602 -12.681 -3.387 625 H ASP 77 HN ASP 77 -0.908 -12.991 2.759 626 HA ASP 77 HA ASP 77 -3.208 -14.336 3.688 627 1HB ASP 77 2HB ASP 77 -1.321 -14.239 5.013 628 2HB ASP 77 3HB ASP 77 -1.154 -12.489 4.938 629 H LEU 78 HN LEU 78 -2.663 -10.891 3.101 630 HA LEU 78 HA LEU 78 -4.967 -10.041 4.557 631 1HB LEU 78 2HB LEU 78 -3.425 -8.558 2.369 632 2HB LEU 78 3HB LEU 78 -4.526 -7.809 3.495 633 HG LEU 78 HG LEU 78 -1.953 -9.166 4.343 634 1HD1 LEU 78 1HD1 LEU 78 -1.089 -6.891 4.663 635 2HD1 LEU 78 2HD1 LEU 78 -1.534 -7.178 2.981 636 3HD1 LEU 78 3HD1 LEU 78 -2.604 -6.206 4.010 637 1HD2 LEU 78 1HD2 LEU 78 -3.915 -7.415 5.871 638 2HD2 LEU 78 2HD2 LEU 78 -3.604 -9.148 6.138 639 3HD2 LEU 78 3HD2 LEU 78 -2.334 -7.979 6.484 640 H LEU 79 HN LEU 79 -4.444 -11.093 1.192 641 HA LEU 79 HA LEU 79 -6.934 -10.162 0.143 642 1HB LEU 79 2HB LEU 79 -5.051 -12.265 -0.812 643 2HB LEU 79 3HB LEU 79 -6.484 -11.729 -1.669 644 HG LEU 79 HG LEU 79 -4.594 -10.722 -2.592 645 1HD1 LEU 79 1HD1 LEU 79 -5.113 -8.352 -2.481 646 2HD1 LEU 79 2HD1 LEU 79 -6.658 -9.243 -2.218 647 3HD1 LEU 79 3HD1 LEU 79 -5.796 -8.520 -0.868 648 1HD2 LEU 79 1HD2 LEU 79 -3.268 -10.879 -0.397 649 2HD2 LEU 79 2HD2 LEU 79 -2.823 -9.746 -1.668 650 3HD2 LEU 79 3HD2 LEU 79 -3.703 -9.190 -0.213 651 H GLU 80 HN GLU 80 -6.039 -13.578 0.092 652 HA GLU 80 HA GLU 80 -7.330 -15.405 0.092 653 1HB GLU 80 2HB GLU 80 -7.412 -14.649 3.029 654 2HB GLU 80 3HB GLU 80 -7.588 -16.270 2.343 655 1HG GLU 80 2HG GLU 80 -5.103 -14.560 2.065 656 2HG GLU 80 3HG GLU 80 -5.294 -15.754 3.323 657 H GLY 81 HN GLY 81 -9.122 -13.926 -1.087 658 1HA GLY 81 1HA GLY 81 -11.438 -14.240 -1.451 659 2HA GLY 81 2HA GLY 81 -11.676 -14.509 0.252 660 H GLU 82 HN GLU 82 -9.745 -11.807 0.093 661 HA GLU 82 HA GLU 82 -12.070 -9.937 0.063 662 1HB GLU 82 2HB GLU 82 -9.337 -9.672 1.351 663 2HB GLU 82 3HB GLU 82 -10.564 -8.418 1.361 664 1HG GLU 82 2HG GLU 82 -11.181 -11.140 2.569 665 2HG GLU 82 3HG GLU 82 -10.442 -9.825 3.482 666 H GLU 83 HN GLU 83 -11.174 -10.869 -2.351 667 HA GLU 83 HA GLU 83 -8.910 -9.392 -3.178 668 1HB GLU 83 2HB GLU 83 -9.230 -10.528 -5.367 669 2HB GLU 83 3HB GLU 83 -9.038 -11.532 -3.917 670 1HG GLU 83 2HG GLU 83 -11.306 -12.130 -3.838 671 2HG GLU 83 3HG GLU 83 -11.771 -10.922 -5.052 672 H LYS 84 HN LYS 84 -9.733 -7.254 -2.710 673 HA LYS 84 HA LYS 84 -10.350 -6.010 -5.328 674 1HB LYS 84 2HB LYS 84 -12.198 -4.683 -4.499 675 2HB LYS 84 3HB LYS 84 -12.545 -6.383 -4.324 676 1HG LYS 84 2HG LYS 84 -11.352 -5.450 -1.831 677 2HG LYS 84 3HG LYS 84 -12.562 -4.268 -2.357 678 1HD LYS 84 2HD LYS 84 -13.664 -5.856 -0.936 679 2HD LYS 84 3HD LYS 84 -14.210 -6.100 -2.608 680 1HE LYS 84 2HE LYS 84 -12.281 -7.848 -2.728 681 2HE LYS 84 3HE LYS 84 -12.318 -7.780 -0.949 682 1HZ LYS 84 1HZ LYS 84 -14.583 -8.403 -2.724 683 2HZ LYS 84 2HZ LYS 84 -13.721 -9.530 -1.982 684 3HZ LYS 84 3HZ LYS 84 -14.612 -8.464 -1.055 685 H PHE 85 HN PHE 85 -7.923 -6.025 -3.639 686 HA PHE 85 HA PHE 85 -7.393 -3.203 -3.936 687 1HB PHE 85 2HB PHE 85 -6.593 -2.804 -1.663 688 2HB PHE 85 3HB PHE 85 -8.292 -3.184 -1.627 689 HD1 PHE 85 HD1 PHE 85 -4.988 -4.144 -0.500 690 HD2 PHE 85 HD2 PHE 85 -9.062 -5.460 -0.747 691 HE1 PHE 85 HE1 PHE 85 -4.449 -6.019 1.035 692 HE2 PHE 85 HE2 PHE 85 -8.547 -7.320 0.821 693 HZ PHE 85 HZ PHE 85 -6.246 -7.601 1.675 694 H ILE 86 HN ILE 86 -6.598 -5.234 -5.444 695 HA ILE 86 HA ILE 86 -4.224 -6.461 -4.390 696 HB ILE 86 HB ILE 86 -4.957 -6.674 -7.245 697 1HG1 ILE 86 2HG1 ILE 86 -7.214 -6.823 -6.332 698 2HG1 ILE 86 3HG1 ILE 86 -6.647 -8.396 -6.793 699 1HG2 ILE 86 1HG2 ILE 86 -4.397 -9.085 -6.733 700 2HG2 ILE 86 2HG2 ILE 86 -3.115 -8.040 -6.145 701 3HG2 ILE 86 3HG2 ILE 86 -4.258 -8.661 -4.993 702 1HD1 ILE 86 1HD1 ILE 86 -7.940 -8.465 -4.749 703 2HD1 ILE 86 2HD1 ILE 86 -6.357 -9.108 -4.442 704 3HD1 ILE 86 3HD1 ILE 86 -6.789 -7.496 -3.862 705 H GLY 87 HN GLY 87 -2.539 -6.604 -6.640 706 1HA GLY 87 1HA GLY 87 -1.215 -5.207 -8.081 707 2HA GLY 87 2HA GLY 87 -1.427 -3.885 -6.913 Start of MODEL 11 1 1H MET 1 HN MET 1 16.212 1.710 -10.224 2 HA MET 1 HA MET 1 14.018 -0.143 -10.870 3 1HB MET 1 2HB MET 1 16.405 -1.058 -10.687 4 2HB MET 1 3HB MET 1 16.291 -0.720 -8.960 5 1HG MET 1 2HG MET 1 15.641 -3.031 -9.394 6 2HG MET 1 3HG MET 1 14.230 -2.127 -8.843 7 1HE MET 1 1HE MET 1 12.425 -3.814 -9.699 8 2HE MET 1 2HE MET 1 12.521 -4.630 -11.271 9 3HE MET 1 3HE MET 1 13.786 -4.907 -10.052 10 H ALA 2 HN ALA 2 12.232 0.697 -9.903 11 HA ALA 2 HA ALA 2 12.121 0.718 -7.027 12 1HB ALA 2 1HB ALA 2 11.362 3.246 -8.544 13 2HB ALA 2 2HB ALA 2 11.211 2.972 -6.801 14 3HB ALA 2 3HB ALA 2 12.816 3.092 -7.524 15 H LEU 3 HN LEU 3 9.692 1.469 -6.573 16 HA LEU 3 HA LEU 3 7.820 0.171 -8.470 17 1HB LEU 3 2HB LEU 3 8.042 -0.257 -5.450 18 2HB LEU 3 3HB LEU 3 6.811 -0.945 -6.504 19 HG LEU 3 HG LEU 3 9.767 -1.511 -6.999 20 1HD1 LEU 3 1HD1 LEU 3 8.057 -3.238 -5.241 21 2HD1 LEU 3 2HD1 LEU 3 9.757 -3.445 -5.680 22 3HD1 LEU 3 3HD1 LEU 3 9.277 -2.090 -4.642 23 1HD2 LEU 3 1HD2 LEU 3 8.197 -2.124 -8.801 24 2HD2 LEU 3 2HD2 LEU 3 8.965 -3.542 -8.072 25 3HD2 LEU 3 3HD2 LEU 3 7.284 -3.130 -7.664 26 H VAL 4 HN VAL 4 7.191 2.146 -9.137 27 HA VAL 4 HA VAL 4 5.826 3.932 -7.205 28 HB VAL 4 HB VAL 4 7.594 4.773 -9.525 29 1HG1 VAL 4 1HG1 VAL 4 6.776 6.888 -9.414 30 2HG1 VAL 4 2HG1 VAL 4 5.319 6.127 -8.745 31 3HG1 VAL 4 3HG1 VAL 4 6.540 6.846 -7.673 32 1HG2 VAL 4 1HG2 VAL 4 8.843 5.979 -7.668 33 2HG2 VAL 4 2HG2 VAL 4 7.861 5.077 -6.489 34 3HG2 VAL 4 3HG2 VAL 4 8.958 4.215 -7.582 35 H LEU 5 HN LEU 5 4.468 2.088 -7.890 36 HA LEU 5 HA LEU 5 2.331 3.092 -9.203 37 1HB LEU 5 2HB LEU 5 1.962 1.268 -10.908 38 2HB LEU 5 3HB LEU 5 3.125 2.494 -11.347 39 HG LEU 5 HG LEU 5 4.497 0.223 -10.053 40 1HD1 LEU 5 1HD1 LEU 5 2.845 -0.372 -12.531 41 2HD1 LEU 5 2HD1 LEU 5 4.147 -1.381 -11.856 42 3HD1 LEU 5 3HD1 LEU 5 2.685 -1.121 -10.909 43 1HD2 LEU 5 1HD2 LEU 5 5.878 0.307 -12.042 44 2HD2 LEU 5 2HD2 LEU 5 4.708 1.372 -12.852 45 3HD2 LEU 5 3HD2 LEU 5 5.610 1.951 -11.443 46 H VAL 6 HN VAL 6 0.681 2.201 -8.027 47 HA VAL 6 HA VAL 6 0.917 -0.612 -7.197 48 HB VAL 6 HB VAL 6 1.920 0.591 -5.366 49 1HG1 VAL 6 1HG1 VAL 6 1.085 2.823 -5.593 50 2HG1 VAL 6 2HG1 VAL 6 -0.583 2.278 -5.340 51 3HG1 VAL 6 3HG1 VAL 6 0.587 2.217 -4.013 52 1HG2 VAL 6 1HG2 VAL 6 -0.837 -0.200 -4.404 53 2HG2 VAL 6 2HG2 VAL 6 0.467 -1.351 -4.799 54 3HG2 VAL 6 3HG2 VAL 6 0.639 -0.132 -3.522 55 H LYS 7 HN LYS 7 -0.540 0.473 -9.257 56 HA LYS 7 HA LYS 7 -3.363 0.258 -8.228 57 1HB LYS 7 2HB LYS 7 -4.042 1.410 -10.322 58 2HB LYS 7 3HB LYS 7 -3.028 2.398 -9.283 59 1HG LYS 7 2HG LYS 7 -1.257 2.421 -10.735 60 2HG LYS 7 3HG LYS 7 -1.610 0.834 -11.416 61 1HD LYS 7 2HD LYS 7 -3.418 1.700 -12.774 62 2HD LYS 7 3HD LYS 7 -3.274 3.313 -12.014 63 1HE LYS 7 2HE LYS 7 -0.969 3.500 -12.777 64 2HE LYS 7 3HE LYS 7 -1.019 1.891 -13.501 65 1HZ LYS 7 1HZ LYS 7 -2.731 2.783 -15.063 66 2HZ LYS 7 2HZ LYS 7 -2.499 4.277 -14.384 67 3HZ LYS 7 3HZ LYS 7 -1.274 3.512 -15.159 68 H TYR 8 HN TYR 8 -1.498 -2.041 -8.771 69 HA TYR 8 HA TYR 8 -3.236 -3.457 -10.710 70 1HB TYR 8 2HB TYR 8 -0.203 -3.592 -10.782 71 2HB TYR 8 3HB TYR 8 -1.304 -4.536 -11.761 72 HD1 TYR 8 HD1 TYR 8 -2.921 -3.419 -13.356 73 HD2 TYR 8 HD2 TYR 8 0.530 -1.449 -11.686 74 HE1 TYR 8 HE1 TYR 8 -3.020 -1.737 -15.165 75 HE2 TYR 8 HE2 TYR 8 0.457 0.227 -13.506 76 HH TYR 8 HH TYR 8 -1.611 -0.098 -16.292 77 H GLY 9 HN GLY 9 -3.189 -3.487 -7.797 78 1HA GLY 9 1HA GLY 9 -2.985 -4.885 -5.989 79 2HA GLY 9 2HA GLY 9 -2.942 -6.218 -7.117 80 H THR 10 HN THR 10 -1.042 -6.993 -7.813 81 HA THR 10 HA THR 10 0.577 -6.976 -5.410 82 HB THR 10 HB THR 10 1.302 -9.241 -6.523 83 HG1 THR 10 HG1 THR 10 0.387 -9.404 -8.393 84 1HG2 THR 10 1HG2 THR 10 -0.147 -8.928 -4.446 85 2HG2 THR 10 2HG2 THR 10 -1.558 -8.801 -5.514 86 3HG2 THR 10 3HG2 THR 10 -0.638 -10.305 -5.453 87 H ASP 11 HN ASP 11 1.416 -4.878 -7.186 88 HA ASP 11 HA ASP 11 4.060 -5.968 -8.070 89 1HB ASP 11 2HB ASP 11 2.297 -5.360 -9.807 90 2HB ASP 11 3HB ASP 11 2.501 -3.678 -9.335 91 H HIS 12 HN HIS 12 3.704 -4.948 -5.454 92 HA HIS 12 HA HIS 12 5.894 -3.162 -5.291 93 1HB HIS 12 2HB HIS 12 4.992 -1.158 -4.763 94 2HB HIS 12 3HB HIS 12 3.657 -1.701 -5.748 95 HD1 HIS 12 HD1 HIS 12 2.363 -3.635 -3.326 96 HD2 HIS 12 HD2 HIS 12 3.708 0.360 -3.070 97 HE1 HIS 12 HE1 HIS 12 1.302 -2.656 -1.295 98 HA PRO 13 HA PRO 13 6.041 -5.451 -1.538 99 1HB PRO 13 2HB PRO 13 7.198 -3.790 0.328 100 2HB PRO 13 3HB PRO 13 8.007 -4.383 -1.132 101 1HG PRO 13 2HG PRO 13 6.798 -1.664 -0.609 102 2HG PRO 13 3HG PRO 13 8.347 -2.055 -1.410 103 1HD PRO 13 2HD PRO 13 5.913 -1.531 -2.679 104 2HD PRO 13 3HD PRO 13 7.270 -2.419 -3.420 105 H VAL 14 HN VAL 14 5.204 -5.828 0.776 106 HA VAL 14 HA VAL 14 4.294 -4.492 2.578 107 HB VAL 14 HB VAL 14 2.178 -4.360 0.538 108 1HG1 VAL 14 1HG1 VAL 14 0.908 -5.699 2.047 109 2HG1 VAL 14 2HG1 VAL 14 1.479 -4.800 3.464 110 3HG1 VAL 14 3HG1 VAL 14 0.376 -4.050 2.293 111 1HG2 VAL 14 1HG2 VAL 14 3.538 -2.384 1.618 112 2HG2 VAL 14 2HG2 VAL 14 1.809 -2.173 1.556 113 3HG2 VAL 14 3HG2 VAL 14 2.604 -2.674 3.064 114 H GLU 15 HN GLU 15 3.462 -7.223 0.476 115 HA GLU 15 HA GLU 15 3.829 -8.930 2.947 116 1HB GLU 15 2HB GLU 15 1.443 -9.367 1.142 117 2HB GLU 15 3HB GLU 15 1.979 -10.396 2.411 118 1HG GLU 15 2HG GLU 15 1.830 -8.215 3.922 119 2HG GLU 15 3HG GLU 15 0.800 -7.643 2.613 120 H LYS 16 HN LYS 16 5.141 -8.402 0.102 121 HA LYS 16 HA LYS 16 6.463 -10.967 0.176 122 1HB LYS 16 2HB LYS 16 4.189 -11.044 -1.266 123 2HB LYS 16 3HB LYS 16 5.236 -10.353 -2.503 124 1HG LYS 16 2HG LYS 16 5.546 -12.635 -2.860 125 2HG LYS 16 3HG LYS 16 6.922 -12.284 -1.822 126 1HD LYS 16 2HD LYS 16 5.749 -13.138 0.147 127 2HD LYS 16 3HD LYS 16 4.222 -13.264 -0.726 128 1HE LYS 16 2HE LYS 16 6.704 -14.876 -1.457 129 2HE LYS 16 3HE LYS 16 5.466 -15.412 -0.316 130 1HZ LYS 16 1HZ LYS 16 4.852 -16.342 -2.297 131 2HZ LYS 16 2HZ LYS 16 3.824 -15.083 -2.152 132 3HZ LYS 16 3HZ LYS 16 5.093 -15.002 -3.216 133 H LEU 17 HN LEU 17 6.019 -8.507 -2.398 134 HA LEU 17 HA LEU 17 8.511 -8.314 -3.216 135 1HB LEU 17 2HB LEU 17 6.191 -6.825 -3.605 136 2HB LEU 17 3HB LEU 17 7.476 -5.631 -3.368 137 HG LEU 17 HG LEU 17 7.664 -7.989 -5.282 138 1HD1 LEU 17 1HD1 LEU 17 7.213 -6.384 -7.071 139 2HD1 LEU 17 2HD1 LEU 17 5.860 -6.468 -5.949 140 3HD1 LEU 17 3HD1 LEU 17 6.985 -5.088 -5.893 141 1HD2 LEU 17 1HD2 LEU 17 9.406 -5.521 -4.834 142 2HD2 LEU 17 2HD2 LEU 17 9.876 -7.213 -4.626 143 3HD2 LEU 17 3HD2 LEU 17 9.545 -6.596 -6.239 144 H LYS 18 HN LYS 18 7.249 -6.968 -0.344 145 HA LYS 18 HA LYS 18 9.287 -5.299 0.653 146 1HB LYS 18 2HB LYS 18 8.319 -5.815 2.899 147 2HB LYS 18 3HB LYS 18 7.146 -5.273 1.735 148 1HG LYS 18 2HG LYS 18 5.932 -7.058 2.137 149 2HG LYS 18 3HG LYS 18 7.124 -8.077 1.386 150 1HD LYS 18 2HD LYS 18 8.332 -8.106 3.578 151 2HD LYS 18 3HD LYS 18 6.825 -7.356 4.268 152 1HE LYS 18 2HE LYS 18 6.423 -9.728 2.571 153 2HE LYS 18 3HE LYS 18 7.418 -9.978 4.016 154 1HZ LYS 18 1HZ LYS 18 4.854 -8.681 4.340 155 2HZ LYS 18 2HZ LYS 18 5.069 -10.345 4.403 156 3HZ LYS 18 3HZ LYS 18 5.862 -9.352 5.440 157 H ILE 19 HN ILE 19 8.871 -8.848 1.021 158 HA ILE 19 HA ILE 19 11.139 -9.199 2.745 159 HB ILE 19 HB ILE 19 8.924 -10.756 1.587 160 1HG1 ILE 19 2HG1 ILE 19 10.510 -11.395 4.100 161 2HG1 ILE 19 3HG1 ILE 19 9.397 -10.039 4.023 162 1HG2 ILE 19 1HG2 ILE 19 11.491 -12.343 2.043 163 2HG2 ILE 19 2HG2 ILE 19 9.865 -13.028 1.870 164 3HG2 ILE 19 3HG2 ILE 19 10.567 -12.209 0.529 165 1HD1 ILE 19 1HD1 ILE 19 7.664 -11.740 3.050 166 2HD1 ILE 19 2HD1 ILE 19 8.758 -12.983 3.726 167 3HD1 ILE 19 3HD1 ILE 19 8.029 -11.788 4.802 168 H ARG 20 HN ARG 20 10.754 -8.452 -0.544 169 HA ARG 20 HA ARG 20 13.419 -9.565 -1.249 170 1HB ARG 20 2HB ARG 20 11.814 -8.237 -3.338 171 2HB ARG 20 3HB ARG 20 12.811 -9.677 -3.398 172 1HG ARG 20 2HG ARG 20 9.974 -9.357 -2.539 173 2HG ARG 20 3HG ARG 20 10.560 -10.238 -3.933 174 1HD ARG 20 2HD ARG 20 9.857 -11.047 -1.227 175 2HD ARG 20 3HD ARG 20 10.018 -12.030 -2.685 176 HE ARG 20 HE ARG 20 12.050 -11.624 -0.623 177 1HH1 ARG 20 2HH2 ARG 20 11.558 -12.903 -3.913 178 2HH1 ARG 20 1HH2 ARG 20 13.240 -12.788 -4.304 179 1HH2 ARG 20 2HH1 ARG 20 14.220 -12.072 -0.937 180 2HH2 ARG 20 1HH1 ARG 20 14.781 -12.703 -2.451 181 H SER 21 HN SER 21 11.818 -6.515 -0.526 182 HA SER 21 HA SER 21 14.326 -5.226 -0.170 183 1HB SER 21 2HB SER 21 12.626 -4.370 -2.554 184 2HB SER 21 3HB SER 21 13.752 -3.273 -1.740 185 HG SER 21 HG SER 21 14.685 -5.795 -2.536 186 H ALA 22 HN ALA 22 13.332 -5.128 1.910 187 HA ALA 22 HA ALA 22 12.336 -2.525 2.444 188 1HB ALA 22 1HB ALA 22 10.239 -3.094 3.620 189 2HB ALA 22 2HB ALA 22 10.093 -3.594 1.938 190 3HB ALA 22 3HB ALA 22 10.444 -4.816 3.196 191 H LYS 23 HN LYS 23 11.851 -2.382 4.900 192 HA LYS 23 HA LYS 23 12.890 -4.488 6.583 193 1HB LYS 23 2HB LYS 23 14.646 -2.359 5.977 194 2HB LYS 23 3HB LYS 23 13.892 -1.850 7.436 195 1HG LYS 23 2HG LYS 23 15.745 -2.979 8.256 196 2HG LYS 23 3HG LYS 23 14.528 -4.247 8.328 197 1HD LYS 23 2HD LYS 23 16.353 -5.353 7.298 198 2HD LYS 23 3HD LYS 23 15.359 -4.883 5.925 199 1HE LYS 23 2HE LYS 23 17.505 -4.219 5.264 200 2HE LYS 23 3HE LYS 23 16.787 -2.726 5.870 201 1HZ LYS 23 1HZ LYS 23 18.799 -2.707 6.849 202 2HZ LYS 23 2HZ LYS 23 17.993 -3.396 8.059 203 3HZ LYS 23 3HZ LYS 23 18.915 -4.338 7.070 204 H ALA 24 HN ALA 24 12.611 -3.521 8.902 205 HA ALA 24 HA ALA 24 9.848 -2.814 9.277 206 1HB ALA 24 1HB ALA 24 11.229 -3.899 11.066 207 2HB ALA 24 2HB ALA 24 12.181 -2.400 11.212 208 3HB ALA 24 3HB ALA 24 10.453 -2.406 11.630 209 H GLU 25 HN GLU 25 12.799 -0.983 8.903 210 HA GLU 25 HA GLU 25 11.663 1.587 9.538 211 1HB GLU 25 2HB GLU 25 13.922 2.424 8.773 212 2HB GLU 25 3HB GLU 25 13.801 1.532 10.317 213 1HG GLU 25 2HG GLU 25 14.411 -0.540 9.129 214 2HG GLU 25 3HG GLU 25 14.611 0.382 7.628 215 H ASP 26 HN ASP 26 10.284 0.363 7.443 216 HA ASP 26 HA ASP 26 11.105 2.234 5.308 217 1HB ASP 26 2HB ASP 26 11.230 -0.438 5.155 218 2HB ASP 26 3HB ASP 26 9.595 -0.219 4.507 219 H LYS 27 HN LYS 27 9.000 2.407 3.632 220 HA LYS 27 HA LYS 27 6.542 2.851 5.202 221 1HB LYS 27 2HB LYS 27 6.378 5.188 4.287 222 2HB LYS 27 3HB LYS 27 7.585 4.984 5.544 223 1HG LYS 27 2HG LYS 27 8.459 4.761 2.654 224 2HG LYS 27 3HG LYS 27 8.079 6.345 3.306 225 1HD LYS 27 2HD LYS 27 9.792 6.288 4.898 226 2HD LYS 27 3HD LYS 27 10.047 4.546 4.749 227 1HE LYS 27 2HE LYS 27 10.917 4.736 2.532 228 2HE LYS 27 3HE LYS 27 10.437 6.435 2.416 229 1HZ LYS 27 1HZ LYS 27 12.408 5.489 4.387 230 2HZ LYS 27 2HZ LYS 27 12.836 6.030 2.903 231 3HZ LYS 27 3HZ LYS 27 12.104 7.051 3.939 232 H ILE 28 HN ILE 28 4.666 2.514 3.962 233 HA ILE 28 HA ILE 28 4.890 2.479 1.057 234 HB ILE 28 HB ILE 28 3.983 0.009 2.561 235 1HG1 ILE 28 2HG1 ILE 28 6.718 0.131 1.158 236 2HG1 ILE 28 3HG1 ILE 28 6.536 0.288 2.912 237 1HG2 ILE 28 1HG2 ILE 28 3.095 0.057 0.375 238 2HG2 ILE 28 2HG2 ILE 28 4.559 0.768 -0.351 239 3HG2 ILE 28 3HG2 ILE 28 4.517 -0.912 0.099 240 1HD1 ILE 28 1HD1 ILE 28 7.099 -1.952 2.477 241 2HD1 ILE 28 2HD1 ILE 28 5.418 -1.852 3.059 242 3HD1 ILE 28 3HD1 ILE 28 5.745 -2.132 1.343 243 H VAL 29 HN VAL 29 2.764 2.113 0.086 244 HA VAL 29 HA VAL 29 0.419 2.424 1.701 245 HB VAL 29 HB VAL 29 1.332 4.699 -0.064 246 1HG1 VAL 29 1HG1 VAL 29 -1.471 4.188 1.090 247 2HG1 VAL 29 2HG1 VAL 29 -0.939 5.746 0.439 248 3HG1 VAL 29 3HG1 VAL 29 -1.039 4.368 -0.631 249 1HG2 VAL 29 1HG2 VAL 29 2.114 5.071 2.134 250 2HG2 VAL 29 2HG2 VAL 29 0.593 5.981 2.090 251 3HG2 VAL 29 3HG2 VAL 29 0.656 4.401 2.861 252 H LEU 30 HN LEU 30 -1.501 1.863 0.436 253 HA LEU 30 HA LEU 30 -0.943 0.670 -2.258 254 1HB LEU 30 2HB LEU 30 -3.428 -0.206 -0.950 255 2HB LEU 30 3HB LEU 30 -2.183 -1.166 -1.697 256 HG LEU 30 HG LEU 30 -2.127 -0.212 1.187 257 1HD1 LEU 30 1HD1 LEU 30 -3.966 -1.804 0.849 258 2HD1 LEU 30 2HD1 LEU 30 -2.962 -2.851 -0.102 259 3HD1 LEU 30 3HD1 LEU 30 -2.637 -2.653 1.642 260 1HD2 LEU 30 1HD2 LEU 30 -0.436 -2.261 -0.264 261 2HD2 LEU 30 2HD2 LEU 30 0.141 -0.689 0.303 262 3HD2 LEU 30 3HD2 LEU 30 -0.395 -1.904 1.477 263 H ILE 31 HN ILE 31 -2.397 1.081 -4.029 264 HA ILE 31 HA ILE 31 -4.755 2.741 -3.422 265 HB ILE 31 HB ILE 31 -4.254 4.424 -4.729 266 1HG1 ILE 31 2HG1 ILE 31 -2.494 2.615 -6.385 267 2HG1 ILE 31 3HG1 ILE 31 -4.051 3.232 -6.781 268 1HG2 ILE 31 1HG2 ILE 31 -2.575 4.538 -2.969 269 2HG2 ILE 31 2HG2 ILE 31 -1.393 3.765 -4.004 270 3HG2 ILE 31 3HG2 ILE 31 -2.040 5.340 -4.435 271 1HD1 ILE 31 1HD1 ILE 31 -1.638 4.977 -6.670 272 2HD1 ILE 31 2HD1 ILE 31 -2.610 4.496 -8.077 273 3HD1 ILE 31 3HD1 ILE 31 -3.343 5.540 -6.799 274 H GLN 32 HN GLN 32 -6.066 2.942 -5.514 275 HA GLN 32 HA GLN 32 -7.683 1.708 -6.622 276 1HB GLN 32 2HB GLN 32 -5.253 1.238 -8.318 277 2HB GLN 32 3HB GLN 32 -6.920 1.237 -8.860 278 1HG GLN 32 2HG GLN 32 -6.329 3.742 -7.471 279 2HG GLN 32 3HG GLN 32 -5.128 3.452 -8.681 280 1HE2 GLN 32 1HE2 GLN 32 -8.392 4.421 -8.055 281 2HE2 GLN 32 2HE2 GLN 32 -8.893 4.613 -9.730 282 H ASN 33 HN ASN 33 -5.682 -0.607 -8.154 283 HA ASN 33 HA ASN 33 -7.127 -2.783 -6.829 284 1HB ASN 33 2HB ASN 33 -4.907 -3.111 -8.900 285 2HB ASN 33 3HB ASN 33 -6.137 -4.235 -8.392 286 1HD2 ASN 33 1HD2 ASN 33 -5.527 -1.616 -10.628 287 2HD2 ASN 33 2HD2 ASN 33 -7.172 -1.500 -11.191 288 H GLY 34 HN GLY 34 -4.043 -1.220 -6.418 289 1HA GLY 34 1HA GLY 34 -2.250 -3.061 -5.299 290 2HA GLY 34 2HA GLY 34 -2.485 -1.391 -4.900 291 H VAL 35 HN VAL 35 -5.298 -1.625 -4.069 292 HA VAL 35 HA VAL 35 -4.987 -2.027 -1.304 293 HB VAL 35 HB VAL 35 -7.353 -1.971 -1.186 294 1HG1 VAL 35 1HG1 VAL 35 -6.097 0.126 -1.629 295 2HG1 VAL 35 2HG1 VAL 35 -6.454 -0.039 -3.351 296 3HG1 VAL 35 3HG1 VAL 35 -7.775 0.174 -2.192 297 1HG2 VAL 35 1HG2 VAL 35 -8.637 -1.735 -3.483 298 2HG2 VAL 35 2HG2 VAL 35 -7.282 -2.670 -4.139 299 3HG2 VAL 35 3HG2 VAL 35 -8.268 -3.336 -2.839 300 H PHE 36 HN PHE 36 -5.292 -4.547 -3.776 301 HA PHE 36 HA PHE 36 -6.237 -6.697 -2.229 302 1HB PHE 36 2HB PHE 36 -4.480 -6.384 -4.646 303 2HB PHE 36 3HB PHE 36 -4.379 -7.903 -3.796 304 HD1 PHE 36 HD1 PHE 36 -5.822 -9.658 -4.296 305 HD2 PHE 36 HD2 PHE 36 -6.952 -5.637 -5.375 306 HE1 PHE 36 HE1 PHE 36 -7.694 -10.539 -5.643 307 HE2 PHE 36 HE2 PHE 36 -8.886 -6.501 -6.621 308 HZ PHE 36 HZ PHE 36 -9.214 -8.961 -6.856 309 H TRP 37 HN TRP 37 -3.208 -5.033 -1.927 310 HA TRP 37 HA TRP 37 -1.800 -7.178 -0.602 311 1HB TRP 37 2HB TRP 37 -1.421 -4.184 -0.551 312 2HB TRP 37 3HB TRP 37 -0.436 -5.278 0.395 313 HD1 TRP 37 HD1 TRP 37 -0.634 -3.751 -2.953 314 HE1 TRP 37 HE1 TRP 37 0.925 -4.860 -4.587 315 HE3 TRP 37 HE3 TRP 37 0.786 -7.671 -0.058 316 HZ2 TRP 37 HZ2 TRP 37 2.964 -7.064 -4.479 317 HZ3 TRP 37 HZ3 TRP 37 2.561 -9.270 -0.831 318 HH2 TRP 37 HH2 TRP 37 3.669 -8.917 -3.035 319 H ALA 38 HN ALA 38 -4.473 -5.204 0.467 320 HA ALA 38 HA ALA 38 -3.951 -5.734 3.357 321 1HB ALA 38 1HB ALA 38 -6.208 -4.213 1.976 322 2HB ALA 38 2HB ALA 38 -5.847 -4.262 3.713 323 3HB ALA 38 3HB ALA 38 -4.743 -3.430 2.610 324 H LEU 39 HN LEU 39 -4.191 -7.912 1.574 325 HA LEU 39 HA LEU 39 -5.913 -9.570 3.042 326 1HB LEU 39 2HB LEU 39 -7.609 -10.061 1.260 327 2HB LEU 39 3HB LEU 39 -7.728 -8.641 2.263 328 HG LEU 39 HG LEU 39 -6.623 -7.399 0.154 329 1HD1 LEU 39 1HD1 LEU 39 -7.661 -8.285 -1.933 330 2HD1 LEU 39 2HD1 LEU 39 -6.355 -9.287 -1.308 331 3HD1 LEU 39 3HD1 LEU 39 -8.047 -9.792 -1.071 332 1HD2 LEU 39 1HD2 LEU 39 -8.688 -6.815 1.298 333 2HD2 LEU 39 2HD2 LEU 39 -8.842 -6.707 -0.450 334 3HD2 LEU 39 3HD2 LEU 39 -9.540 -8.104 0.420 335 H GLU 40 HN GLU 40 -3.365 -9.886 2.671 336 HA GLU 40 HA GLU 40 -3.061 -12.172 0.821 337 1HB GLU 40 2HB GLU 40 -1.265 -9.875 1.604 338 2HB GLU 40 3HB GLU 40 -0.569 -11.353 0.928 339 1HG GLU 40 2HG GLU 40 -2.777 -9.741 -0.376 340 2HG GLU 40 3HG GLU 40 -1.091 -9.276 -0.507 341 H GLU 41 HN GLU 41 -0.690 -13.194 1.925 342 HA GLU 41 HA GLU 41 -1.701 -14.258 4.476 343 1HB GLU 41 2HB GLU 41 -0.838 -15.364 1.920 344 2HB GLU 41 3HB GLU 41 0.225 -15.988 3.151 345 1HG GLU 41 2HG GLU 41 -1.894 -16.543 4.507 346 2HG GLU 41 3HG GLU 41 -2.781 -16.164 3.013 347 H LEU 42 HN LEU 42 -0.167 -11.917 4.741 348 HA LEU 42 HA LEU 42 2.179 -12.724 6.277 349 1HB LEU 42 2HB LEU 42 2.165 -12.289 3.389 350 2HB LEU 42 3HB LEU 42 3.206 -11.097 4.090 351 HG LEU 42 HG LEU 42 3.632 -13.822 5.191 352 1HD1 LEU 42 1HD1 LEU 42 4.159 -13.380 2.222 353 2HD1 LEU 42 2HD1 LEU 42 4.644 -14.799 3.179 354 3HD1 LEU 42 3HD1 LEU 42 2.940 -14.457 2.915 355 1HD2 LEU 42 1HD2 LEU 42 5.196 -11.928 5.542 356 2HD2 LEU 42 2HD2 LEU 42 5.941 -13.375 4.894 357 3HD2 LEU 42 3HD2 LEU 42 5.622 -12.050 3.778 358 H GLU 43 HN GLU 43 3.413 -10.072 5.651 359 HA GLU 43 HA GLU 43 1.933 -7.832 6.157 360 1HB GLU 43 2HB GLU 43 2.353 -7.442 8.611 361 2HB GLU 43 3HB GLU 43 1.028 -8.517 8.222 362 1HG GLU 43 2HG GLU 43 2.307 -10.494 8.820 363 2HG GLU 43 3HG GLU 43 3.783 -9.563 8.905 364 H THR 44 HN THR 44 3.388 -6.050 6.108 365 HA THR 44 HA THR 44 6.317 -6.625 6.201 366 HB THR 44 HB THR 44 5.274 -5.211 4.372 367 HG1 THR 44 HG1 THR 44 6.965 -3.594 4.635 368 1HG2 THR 44 1HG2 THR 44 4.676 -3.047 4.730 369 2HG2 THR 44 2HG2 THR 44 3.827 -4.059 5.926 370 3HG2 THR 44 3HG2 THR 44 5.172 -3.073 6.440 371 HA PRO 45 HA PRO 45 6.375 -4.770 10.271 372 1HB PRO 45 2HB PRO 45 9.040 -4.442 10.549 373 2HB PRO 45 3HB PRO 45 8.243 -6.005 10.742 374 1HG PRO 45 2HG PRO 45 9.884 -4.972 8.451 375 2HG PRO 45 3HG PRO 45 9.743 -6.643 9.073 376 1HD PRO 45 2HD PRO 45 8.403 -5.520 6.878 377 2HD PRO 45 3HD PRO 45 7.934 -7.039 7.715 378 H ALA 46 HN ALA 46 6.981 -3.268 7.306 379 HA ALA 46 HA ALA 46 7.785 -0.620 8.261 380 1HB ALA 46 1HB ALA 46 6.599 -1.553 5.601 381 2HB ALA 46 2HB ALA 46 7.301 0.019 5.913 382 3HB ALA 46 3HB ALA 46 8.334 -1.425 5.981 383 H LYS 47 HN LYS 47 6.104 1.388 7.519 384 HA LYS 47 HA LYS 47 3.603 0.722 8.830 385 1HB LYS 47 2HB LYS 47 3.117 3.096 8.326 386 2HB LYS 47 3HB LYS 47 4.456 2.821 9.443 387 1HG LYS 47 2HG LYS 47 6.080 3.364 7.810 388 2HG LYS 47 3HG LYS 47 4.928 3.205 6.503 389 1HD LYS 47 2HD LYS 47 5.682 5.576 7.099 390 2HD LYS 47 3HD LYS 47 3.991 5.163 6.874 391 1HE LYS 47 2HE LYS 47 4.067 6.661 8.758 392 2HE LYS 47 3HE LYS 47 3.711 5.052 9.382 393 1HZ LYS 47 1HZ LYS 47 6.416 5.208 9.602 394 2HZ LYS 47 2HZ LYS 47 5.928 6.751 9.864 395 3HZ LYS 47 3HZ LYS 47 5.286 5.577 10.786 396 H VAL 48 HN VAL 48 1.608 0.607 7.714 397 HA VAL 48 HA VAL 48 1.740 0.549 4.770 398 HB VAL 48 HB VAL 48 0.474 -1.569 6.597 399 1HG1 VAL 48 1HG1 VAL 48 -0.785 -1.267 4.509 400 2HG1 VAL 48 2HG1 VAL 48 0.717 -1.335 3.562 401 3HG1 VAL 48 3HG1 VAL 48 0.137 -2.775 4.432 402 1HG2 VAL 48 1HG2 VAL 48 2.182 -3.018 5.389 403 2HG2 VAL 48 2HG2 VAL 48 3.048 -1.516 4.989 404 3HG2 VAL 48 3HG2 VAL 48 2.815 -1.977 6.681 405 H TYR 49 HN TYR 49 0.120 1.596 4.001 406 HA TYR 49 HA TYR 49 -2.360 1.887 5.575 407 1HB TYR 49 2HB TYR 49 -0.782 4.168 4.355 408 2HB TYR 49 3HB TYR 49 -2.380 4.277 5.009 409 HD1 TYR 49 HD1 TYR 49 1.271 4.247 5.904 410 HD2 TYR 49 HD2 TYR 49 -2.749 3.998 7.520 411 HE1 TYR 49 HE1 TYR 49 2.037 5.064 8.066 412 HE2 TYR 49 HE2 TYR 49 -1.915 4.682 9.719 413 HH TYR 49 HH TYR 49 0.083 5.026 11.015 414 H ALA 50 HN ALA 50 -4.190 2.332 4.035 415 HA ALA 50 HA ALA 50 -3.486 1.819 1.145 416 1HB ALA 50 1HB ALA 50 -4.002 -0.205 2.500 417 2HB ALA 50 2HB ALA 50 -5.623 0.442 2.756 418 3HB ALA 50 3HB ALA 50 -5.025 0.088 1.109 419 H ILE 51 HN ILE 51 -4.987 2.796 -0.310 420 HA ILE 51 HA ILE 51 -6.300 5.142 0.825 421 HB ILE 51 HB ILE 51 -5.947 4.142 -2.038 422 1HG1 ILE 51 2HG1 ILE 51 -3.854 4.902 -1.211 423 2HG1 ILE 51 3HG1 ILE 51 -4.524 6.068 -2.349 424 1HG2 ILE 51 1HG2 ILE 51 -7.128 6.807 -1.091 425 2HG2 ILE 51 2HG2 ILE 51 -6.807 6.304 -2.778 426 3HG2 ILE 51 3HG2 ILE 51 -8.033 5.502 -1.834 427 1HD1 ILE 51 1HD1 ILE 51 -3.446 7.268 -0.606 428 2HD1 ILE 51 2HD1 ILE 51 -5.177 7.471 -0.308 429 3HD1 ILE 51 3HD1 ILE 51 -4.235 6.321 0.670 430 H LYS 52 HN LYS 52 -8.030 5.102 1.746 431 HA LYS 52 HA LYS 52 -10.038 3.198 1.583 432 1HB LYS 52 2HB LYS 52 -9.591 5.034 3.334 433 2HB LYS 52 3HB LYS 52 -10.511 6.135 2.306 434 1HG LYS 52 2HG LYS 52 -12.506 4.873 2.572 435 2HG LYS 52 3HG LYS 52 -11.646 3.432 3.073 436 1HD LYS 52 2HD LYS 52 -12.415 4.010 5.080 437 2HD LYS 52 3HD LYS 52 -10.926 4.941 5.159 438 1HE LYS 52 2HE LYS 52 -12.148 6.990 4.485 439 2HE LYS 52 3HE LYS 52 -13.627 6.029 4.257 440 1HZ LYS 52 1HZ LYS 52 -13.874 6.912 6.361 441 2HZ LYS 52 2HZ LYS 52 -13.373 5.405 6.665 442 3HZ LYS 52 3HZ LYS 52 -12.309 6.694 6.795 443 H ASP 53 HN ASP 53 -10.061 6.383 -0.056 444 HA ASP 53 HA ASP 53 -12.470 6.147 -1.393 445 1HB ASP 53 2HB ASP 53 -10.140 7.825 -1.568 446 2HB ASP 53 3HB ASP 53 -10.482 7.308 -3.207 447 H ASP 54 HN ASP 54 -9.314 4.930 -2.594 448 HA ASP 54 HA ASP 54 -10.386 3.864 -5.001 449 1HB ASP 54 2HB ASP 54 -7.853 3.494 -3.392 450 2HB ASP 54 3HB ASP 54 -8.227 2.403 -4.706 451 H PHE 55 HN PHE 55 -9.865 2.387 -1.769 452 HA PHE 55 HA PHE 55 -10.481 -0.301 -2.494 453 1HB PHE 55 2HB PHE 55 -9.423 0.700 -0.388 454 2HB PHE 55 3HB PHE 55 -11.031 1.072 0.162 455 HD1 PHE 55 HD1 PHE 55 -9.510 -2.009 -1.408 456 HD2 PHE 55 HD2 PHE 55 -11.458 -0.330 2.014 457 HE1 PHE 55 HE1 PHE 55 -9.451 -4.222 -0.322 458 HE2 PHE 55 HE2 PHE 55 -11.573 -2.579 3.038 459 HZ PHE 55 HZ PHE 55 -10.532 -4.533 1.895 460 H LEU 56 HN LEU 56 -12.458 2.385 -1.341 461 HA LEU 56 HA LEU 56 -15.002 1.083 -1.178 462 1HB LEU 56 2HB LEU 56 -14.122 3.960 -1.669 463 2HB LEU 56 3HB LEU 56 -15.789 3.520 -1.393 464 HG LEU 56 HG LEU 56 -13.565 2.895 0.580 465 1HD1 LEU 56 1HD1 LEU 56 -14.545 4.940 1.804 466 2HD1 LEU 56 2HD1 LEU 56 -13.653 5.321 0.314 467 3HD1 LEU 56 3HD1 LEU 56 -15.430 5.315 0.313 468 1HD2 LEU 56 1HD2 LEU 56 -15.356 2.644 2.197 469 2HD2 LEU 56 2HD2 LEU 56 -16.579 3.238 1.051 470 3HD2 LEU 56 3HD2 LEU 56 -15.820 1.659 0.794 471 H ALA 57 HN ALA 57 -13.275 2.843 -3.778 472 HA ALA 57 HA ALA 57 -15.393 2.446 -5.687 473 1HB ALA 57 1HB ALA 57 -13.705 4.227 -5.962 474 2HB ALA 57 2HB ALA 57 -12.435 3.007 -6.170 475 3HB ALA 57 3HB ALA 57 -13.738 3.140 -7.365 476 H ARG 58 HN ARG 58 -12.896 0.401 -4.378 477 HA ARG 58 HA ARG 58 -13.117 -1.546 -6.655 478 1HB ARG 58 2HB ARG 58 -10.984 -0.733 -4.910 479 2HB ARG 58 3HB ARG 58 -11.316 -2.328 -4.437 480 1HG ARG 58 2HG ARG 58 -10.915 -1.705 -7.387 481 2HG ARG 58 3HG ARG 58 -9.563 -1.689 -6.280 482 1HD ARG 58 2HD ARG 58 -9.473 -3.794 -7.165 483 2HD ARG 58 3HD ARG 58 -10.111 -4.037 -5.559 484 HE ARG 58 HE ARG 58 -11.568 -3.999 -8.200 485 1HH1 ARG 58 2HH2 ARG 58 -12.054 -5.014 -4.873 486 2HH1 ARG 58 1HH2 ARG 58 -13.138 -6.242 -5.208 487 1HH2 ARG 58 2HH1 ARG 58 -13.258 -5.324 -8.636 488 2HH2 ARG 58 1HH1 ARG 58 -13.997 -6.318 -7.414 489 H GLY 59 HN GLY 59 -15.371 -0.997 -4.832 490 1HA GLY 59 1HA GLY 59 -17.006 -2.170 -3.756 491 2HA GLY 59 2HA GLY 59 -16.439 -3.525 -4.750 492 H TYR 60 HN TYR 60 -15.166 -1.798 -1.736 493 HA TYR 60 HA TYR 60 -15.408 -4.291 -0.242 494 1HB TYR 60 2HB TYR 60 -13.101 -2.311 -0.400 495 2HB TYR 60 3HB TYR 60 -13.372 -3.362 0.946 496 HD1 TYR 60 HD1 TYR 60 -12.133 -3.162 -2.454 497 HD2 TYR 60 HD2 TYR 60 -12.902 -5.757 0.865 498 HE1 TYR 60 HE1 TYR 60 -10.782 -4.975 -3.545 499 HE2 TYR 60 HE2 TYR 60 -11.671 -7.583 -0.241 500 HH TYR 60 HH TYR 60 -10.620 -8.272 -2.115 501 H SER 61 HN SER 61 -15.611 -3.795 1.967 502 HA SER 61 HA SER 61 -17.000 -1.308 2.783 503 1HB SER 61 2HB SER 61 -17.214 -4.031 3.389 504 2HB SER 61 3HB SER 61 -16.213 -3.466 4.718 505 HG SER 61 HG SER 61 -18.834 -3.257 4.233 506 H GLU 62 HN GLU 62 -16.079 -0.100 4.701 507 HA GLU 62 HA GLU 62 -13.301 0.246 4.627 508 1HB GLU 62 2HB GLU 62 -15.043 0.721 7.091 509 2HB GLU 62 3HB GLU 62 -13.460 1.397 6.715 510 1HG GLU 62 2HG GLU 62 -14.749 2.331 4.567 511 2HG GLU 62 3HG GLU 62 -16.166 2.079 5.582 512 H GLU 63 HN GLU 63 -15.306 -1.902 6.531 513 HA GLU 63 HA GLU 63 -13.246 -2.613 8.379 514 1HB GLU 63 2HB GLU 63 -15.756 -2.441 8.674 515 2HB GLU 63 3HB GLU 63 -15.907 -4.022 7.911 516 1HG GLU 63 2HG GLU 63 -15.105 -5.101 9.806 517 2HG GLU 63 3HG GLU 63 -13.949 -3.810 10.165 518 H ASP 64 HN ASP 64 -13.636 -3.554 5.201 519 HA ASP 64 HA ASP 64 -13.066 -6.421 5.414 520 1HB ASP 64 2HB ASP 64 -13.326 -4.491 3.071 521 2HB ASP 64 3HB ASP 64 -12.909 -6.183 2.902 522 H SER 65 HN SER 65 -11.062 -3.645 5.533 523 HA SER 65 HA SER 65 -8.870 -4.881 3.952 524 1HB SER 65 2HB SER 65 -9.155 -2.603 3.403 525 2HB SER 65 3HB SER 65 -9.444 -2.119 5.065 526 HG SER 65 HG SER 65 -7.373 -1.861 5.316 527 H LYS 66 HN LYS 66 -7.259 -5.995 5.082 528 HA LYS 66 HA LYS 66 -7.152 -5.704 8.023 529 1HB LYS 66 2HB LYS 66 -5.554 -7.528 7.945 530 2HB LYS 66 3HB LYS 66 -6.983 -7.892 6.981 531 1HG LYS 66 2HG LYS 66 -5.887 -8.193 5.122 532 2HG LYS 66 3HG LYS 66 -4.972 -6.693 5.278 533 1HD LYS 66 2HD LYS 66 -3.125 -7.691 5.992 534 2HD LYS 66 3HD LYS 66 -3.957 -8.834 7.051 535 1HE LYS 66 2HE LYS 66 -3.808 -9.109 3.995 536 2HE LYS 66 3HE LYS 66 -2.690 -9.868 5.106 537 1HZ LYS 66 1HZ LYS 66 -5.629 -10.390 5.108 538 2HZ LYS 66 2HZ LYS 66 -4.445 -11.386 4.585 539 3HZ LYS 66 3HZ LYS 66 -4.537 -11.032 6.157 540 H VAL 67 HN VAL 67 -6.504 -3.243 6.651 541 HA VAL 67 HA VAL 67 -4.104 -2.624 8.110 542 HB VAL 67 HB VAL 67 -2.688 -1.846 6.417 543 1HG1 VAL 67 1HG1 VAL 67 -3.801 -4.349 5.197 544 2HG1 VAL 67 2HG1 VAL 67 -2.251 -3.565 4.796 545 3HG1 VAL 67 3HG1 VAL 67 -2.524 -4.188 6.425 546 1HG2 VAL 67 1HG2 VAL 67 -4.188 -0.508 5.098 547 2HG2 VAL 67 2HG2 VAL 67 -3.230 -1.565 4.064 548 3HG2 VAL 67 3HG2 VAL 67 -4.941 -1.956 4.415 549 HA PRO 68 HA PRO 68 -6.426 1.031 8.525 550 1HB PRO 68 2HB PRO 68 -4.588 3.060 8.752 551 2HB PRO 68 3HB PRO 68 -4.909 1.842 10.024 552 1HG PRO 68 2HG PRO 68 -2.672 1.893 8.035 553 2HG PRO 68 3HG PRO 68 -2.618 1.408 9.757 554 1HD PRO 68 2HD PRO 68 -2.706 -0.293 7.653 555 2HD PRO 68 3HD PRO 68 -3.368 -0.696 9.246 556 H LEU 69 HN LEU 69 -7.662 1.765 7.222 557 HA LEU 69 HA LEU 69 -6.967 2.578 4.484 558 1HB LEU 69 2HB LEU 69 -9.521 2.597 6.138 559 2HB LEU 69 3HB LEU 69 -9.441 3.087 4.440 560 HG LEU 69 HG LEU 69 -8.964 0.296 5.566 561 1HD1 LEU 69 1HD1 LEU 69 -11.185 1.386 3.782 562 2HD1 LEU 69 2HD1 LEU 69 -11.029 -0.256 4.418 563 3HD1 LEU 69 3HD1 LEU 69 -11.317 1.092 5.529 564 1HD2 LEU 69 1HD2 LEU 69 -7.548 0.483 3.679 565 2HD2 LEU 69 2HD2 LEU 69 -9.000 -0.309 3.084 566 3HD2 LEU 69 3HD2 LEU 69 -8.745 1.411 2.745 567 H ILE 70 HN ILE 70 -6.311 4.435 4.098 568 HA ILE 70 HA ILE 70 -6.947 6.765 5.841 569 HB ILE 70 HB ILE 70 -4.797 7.611 5.539 570 1HG1 ILE 70 2HG1 ILE 70 -4.099 5.392 3.575 571 2HG1 ILE 70 3HG1 ILE 70 -4.520 7.055 3.129 572 1HG2 ILE 70 1HG2 ILE 70 -4.350 4.640 6.066 573 2HG2 ILE 70 2HG2 ILE 70 -3.404 6.029 6.665 574 3HG2 ILE 70 3HG2 ILE 70 -5.046 5.778 7.225 575 1HD1 ILE 70 1HD1 ILE 70 -2.075 6.606 3.117 576 2HD1 ILE 70 2HD1 ILE 70 -2.577 7.950 4.146 577 3HD1 ILE 70 3HD1 ILE 70 -2.114 6.432 4.880 578 H THR 71 HN THR 71 -6.540 8.946 4.584 579 HA THR 71 HA THR 71 -8.198 8.809 2.185 580 HB THR 71 HB THR 71 -8.127 11.247 2.409 581 HG1 THR 71 HG1 THR 71 -7.214 11.940 4.582 582 1HG2 THR 71 1HG2 THR 71 -9.462 11.400 4.423 583 2HG2 THR 71 2HG2 THR 71 -9.792 9.830 3.684 584 3HG2 THR 71 3HG2 THR 71 -8.738 9.940 5.107 585 H TYR 72 HN TYR 72 -7.473 10.271 0.272 586 HA TYR 72 HA TYR 72 -4.863 9.626 -0.724 587 1HB TYR 72 2HB TYR 72 -7.192 11.147 -1.605 588 2HB TYR 72 3HB TYR 72 -5.762 12.120 -1.837 589 HD1 TYR 72 HD1 TYR 72 -7.010 8.627 -2.489 590 HD2 TYR 72 HD2 TYR 72 -4.646 11.939 -3.903 591 HE1 TYR 72 HE1 TYR 72 -6.498 7.374 -4.633 592 HE2 TYR 72 HE2 TYR 72 -4.228 10.750 -6.018 593 HH TYR 72 HH TYR 72 -4.405 8.700 -7.140 594 H SER 73 HN SER 73 -6.042 12.434 1.250 595 HA SER 73 HA SER 73 -3.646 13.894 0.942 596 1HB SER 73 2HB SER 73 -5.525 14.163 3.292 597 2HB SER 73 3HB SER 73 -4.619 15.408 2.387 598 HG SER 73 HG SER 73 -7.105 14.787 2.034 599 H GLU 74 HN GLU 74 -4.711 11.534 3.449 600 HA GLU 74 HA GLU 74 -2.564 11.908 5.296 601 1HB GLU 74 2HB GLU 74 -4.385 9.610 4.576 602 2HB GLU 74 3HB GLU 74 -3.108 9.431 5.774 603 1HG GLU 74 2HG GLU 74 -4.692 11.833 6.320 604 2HG GLU 74 3HG GLU 74 -5.718 10.387 6.213 605 H PHE 75 HN PHE 75 -2.863 10.048 2.267 606 HA PHE 75 HA PHE 75 -0.363 8.684 2.506 607 1HB PHE 75 2HB PHE 75 -1.975 7.871 0.992 608 2HB PHE 75 3HB PHE 75 -2.202 9.400 0.233 609 HD1 PHE 75 HD1 PHE 75 1.097 7.657 0.852 610 HD2 PHE 75 HD2 PHE 75 -1.788 9.100 -2.004 611 HE1 PHE 75 HE1 PHE 75 2.470 6.748 -0.991 612 HE2 PHE 75 HE2 PHE 75 -0.305 8.327 -3.859 613 HZ PHE 75 HZ PHE 75 1.729 7.035 -3.342 614 H ILE 76 HN ILE 76 -1.212 11.868 1.029 615 HA ILE 76 HA ILE 76 1.343 12.374 -0.041 616 HB ILE 76 HB ILE 76 -0.765 14.339 0.958 617 1HG1 ILE 76 2HG1 ILE 76 -1.777 13.093 -0.754 618 2HG1 ILE 76 3HG1 ILE 76 -1.265 14.581 -1.494 619 1HG2 ILE 76 1HG2 ILE 76 1.641 14.819 -0.844 620 2HG2 ILE 76 2HG2 ILE 76 0.332 15.988 -0.559 621 3HG2 ILE 76 3HG2 ILE 76 1.388 15.509 0.772 622 1HD1 ILE 76 1HD1 ILE 76 -0.809 12.839 -3.045 623 2HD1 ILE 76 2HD1 ILE 76 0.775 13.283 -2.397 624 3HD1 ILE 76 3HD1 ILE 76 -0.052 11.810 -1.823 625 H ASP 77 HN ASP 77 0.149 12.963 3.265 626 HA ASP 77 HA ASP 77 2.423 14.406 4.252 627 1HB ASP 77 2HB ASP 77 0.450 14.378 5.438 628 2HB ASP 77 3HB ASP 77 0.319 12.636 5.540 629 H LEU 78 HN LEU 78 1.937 10.990 3.585 630 HA LEU 78 HA LEU 78 4.192 10.235 5.234 631 1HB LEU 78 2HB LEU 78 2.626 8.606 3.189 632 2HB LEU 78 3HB LEU 78 3.875 7.948 4.223 633 HG LEU 78 HG LEU 78 1.340 9.249 5.304 634 1HD1 LEU 78 1HD1 LEU 78 0.534 6.959 5.692 635 2HD1 LEU 78 2HD1 LEU 78 0.763 7.298 3.973 636 3HD1 LEU 78 3HD1 LEU 78 1.966 6.309 4.835 637 1HD2 LEU 78 1HD2 LEU 78 3.506 7.564 6.619 638 2HD2 LEU 78 2HD2 LEU 78 3.091 9.253 6.966 639 3HD2 LEU 78 3HD2 LEU 78 1.940 7.980 7.380 640 H LEU 79 HN LEU 79 3.795 11.581 2.110 641 HA LEU 79 HA LEU 79 6.246 10.376 0.951 642 1HB LEU 79 2HB LEU 79 4.431 12.530 -0.241 643 2HB LEU 79 3HB LEU 79 5.768 11.694 -1.020 644 HG LEU 79 HG LEU 79 3.054 10.587 -0.226 645 1HD1 LEU 79 1HD1 LEU 79 3.211 11.876 -2.337 646 2HD1 LEU 79 2HD1 LEU 79 4.474 10.753 -2.922 647 3HD1 LEU 79 3HD1 LEU 79 2.814 10.176 -2.607 648 1HD2 LEU 79 1HD2 LEU 79 5.590 9.102 -0.975 649 2HD2 LEU 79 2HD2 LEU 79 4.416 8.780 0.316 650 3HD2 LEU 79 3HD2 LEU 79 3.979 8.443 -1.360 651 H GLU 80 HN GLU 80 5.089 13.752 1.141 652 HA GLU 80 HA GLU 80 6.428 15.607 0.810 653 1HB GLU 80 2HB GLU 80 6.732 14.991 3.747 654 2HB GLU 80 3HB GLU 80 6.684 16.589 2.999 655 1HG GLU 80 2HG GLU 80 4.389 14.578 3.143 656 2HG GLU 80 3HG GLU 80 4.549 15.955 4.171 657 H GLY 81 HN GLY 81 8.009 14.588 -0.558 658 1HA GLY 81 1HA GLY 81 10.212 14.995 -1.202 659 2HA GLY 81 2HA GLY 81 10.715 15.024 0.495 660 H GLU 82 HN GLU 82 8.824 12.222 -0.210 661 HA GLU 82 HA GLU 82 11.313 10.623 -0.297 662 1HB GLU 82 2HB GLU 82 10.180 11.041 1.926 663 2HB GLU 82 3HB GLU 82 8.883 9.969 1.372 664 1HG GLU 82 2HG GLU 82 10.315 8.114 1.262 665 2HG GLU 82 3HG GLU 82 11.768 9.111 1.176 666 H GLU 83 HN GLU 83 10.506 10.834 -2.718 667 HA GLU 83 HA GLU 83 8.304 9.149 -3.400 668 1HB GLU 83 2HB GLU 83 10.272 10.797 -4.893 669 2HB GLU 83 3HB GLU 83 9.264 9.636 -5.801 670 1HG GLU 83 2HG GLU 83 7.243 10.573 -4.766 671 2HG GLU 83 3HG GLU 83 8.220 11.757 -3.902 672 H LYS 84 HN LYS 84 8.899 7.123 -2.464 673 HA LYS 84 HA LYS 84 10.082 5.403 -4.570 674 1HB LYS 84 2HB LYS 84 11.665 4.327 -2.979 675 2HB LYS 84 3HB LYS 84 12.014 5.997 -3.305 676 1HG LYS 84 2HG LYS 84 10.396 6.256 -1.033 677 2HG LYS 84 3HG LYS 84 11.156 4.688 -0.750 678 1HD LYS 84 2HD LYS 84 12.533 6.385 0.271 679 2HD LYS 84 3HD LYS 84 13.408 5.861 -1.192 680 1HE LYS 84 2HE LYS 84 12.320 7.775 -2.449 681 2HE LYS 84 3HE LYS 84 11.506 8.248 -0.971 682 1HZ LYS 84 1HZ LYS 84 14.447 8.243 -1.371 683 2HZ LYS 84 2HZ LYS 84 13.493 9.549 -1.419 684 3HZ LYS 84 3HZ LYS 84 13.700 8.747 -0.002 685 H PHE 85 HN PHE 85 7.303 5.602 -3.551 686 HA PHE 85 HA PHE 85 6.827 2.798 -3.581 687 1HB PHE 85 2HB PHE 85 5.754 2.583 -1.345 688 2HB PHE 85 3HB PHE 85 7.463 2.801 -1.227 689 HD1 PHE 85 HD1 PHE 85 8.419 5.093 -0.515 690 HD2 PHE 85 HD2 PHE 85 4.213 4.178 -0.313 691 HE1 PHE 85 HE1 PHE 85 8.055 7.068 0.926 692 HE2 PHE 85 HE2 PHE 85 3.880 6.131 1.191 693 HZ PHE 85 HZ PHE 85 5.810 7.551 1.824 694 H ILE 86 HN ILE 86 5.999 4.795 -5.213 695 HA ILE 86 HA ILE 86 3.443 5.819 -4.145 696 HB ILE 86 HB ILE 86 4.653 6.991 -6.579 697 1HG1 ILE 86 2HG1 ILE 86 6.733 6.668 -5.222 698 2HG1 ILE 86 3HG1 ILE 86 6.302 8.329 -5.436 699 1HG2 ILE 86 1HG2 ILE 86 2.636 7.955 -5.552 700 2HG2 ILE 86 2HG2 ILE 86 3.514 8.168 -4.025 701 3HG2 ILE 86 3HG2 ILE 86 3.989 9.095 -5.464 702 1HD1 ILE 86 1HD1 ILE 86 5.727 8.652 -3.198 703 2HD1 ILE 86 2HD1 ILE 86 5.406 6.926 -2.899 704 3HD1 ILE 86 3HD1 ILE 86 7.055 7.509 -3.043 705 H GLY 87 HN GLY 87 1.924 6.485 -6.349 706 1HA GLY 87 1HA GLY 87 2.256 5.137 -8.674 707 2HA GLY 87 2HA GLY 87 1.067 4.173 -7.761 Start of MODEL 12 1 1H MET 1 HN MET 1 16.035 -1.023 -10.106 2 HA MET 1 HA MET 1 13.319 -0.697 -11.234 3 1HB MET 1 2HB MET 1 14.740 -3.083 -10.073 4 2HB MET 1 3HB MET 1 13.009 -2.907 -9.757 5 1HG MET 1 2HG MET 1 14.117 -2.729 -12.577 6 2HG MET 1 3HG MET 1 13.733 -4.256 -11.808 7 1HE MET 1 1HE MET 1 10.729 -4.073 -14.228 8 2HE MET 1 2HE MET 1 12.485 -3.880 -14.442 9 3HE MET 1 3HE MET 1 11.850 -5.172 -13.406 10 H ALA 2 HN ALA 2 12.093 0.560 -10.007 11 HA ALA 2 HA ALA 2 12.328 0.468 -7.070 12 1HB ALA 2 1HB ALA 2 11.629 2.850 -7.020 13 2HB ALA 2 2HB ALA 2 13.225 2.658 -7.779 14 3HB ALA 2 3HB ALA 2 11.784 2.938 -8.789 15 H LEU 3 HN LEU 3 10.190 0.659 -6.111 16 HA LEU 3 HA LEU 3 8.114 -0.436 -7.951 17 1HB LEU 3 2HB LEU 3 8.276 -0.618 -4.931 18 2HB LEU 3 3HB LEU 3 7.039 -1.353 -5.960 19 HG LEU 3 HG LEU 3 10.023 -1.989 -6.105 20 1HD1 LEU 3 1HD1 LEU 3 7.832 -3.681 -4.863 21 2HD1 LEU 3 2HD1 LEU 3 9.533 -4.096 -5.018 22 3HD1 LEU 3 3HD1 LEU 3 9.074 -2.750 -3.974 23 1HD2 LEU 3 1HD2 LEU 3 9.364 -3.955 -7.420 24 2HD2 LEU 3 2HD2 LEU 3 7.658 -3.425 -7.390 25 3HD2 LEU 3 3HD2 LEU 3 8.895 -2.466 -8.238 26 H VAL 4 HN VAL 4 7.180 1.221 -8.840 27 HA VAL 4 HA VAL 4 6.235 3.465 -7.155 28 HB VAL 4 HB VAL 4 7.556 3.739 -9.864 29 1HG1 VAL 4 1HG1 VAL 4 7.223 6.131 -8.116 30 2HG1 VAL 4 2HG1 VAL 4 7.069 5.959 -9.851 31 3HG1 VAL 4 3HG1 VAL 4 5.714 5.510 -8.793 32 1HG2 VAL 4 1HG2 VAL 4 8.594 4.328 -7.047 33 2HG2 VAL 4 2HG2 VAL 4 9.270 3.204 -8.236 34 3HG2 VAL 4 3HG2 VAL 4 9.354 4.935 -8.536 35 H LEU 5 HN LEU 5 4.689 1.259 -7.764 36 HA LEU 5 HA LEU 5 2.460 2.683 -8.755 37 1HB LEU 5 2HB LEU 5 1.744 0.998 -10.477 38 2HB LEU 5 3HB LEU 5 3.045 2.067 -10.939 39 HG LEU 5 HG LEU 5 4.211 -0.306 -9.754 40 1HD1 LEU 5 1HD1 LEU 5 2.098 -1.425 -10.420 41 2HD1 LEU 5 2HD1 LEU 5 2.332 -0.859 -12.097 42 3HD1 LEU 5 3HD1 LEU 5 3.474 -1.999 -11.358 43 1HD2 LEU 5 1HD2 LEU 5 4.289 0.620 -12.646 44 2HD2 LEU 5 2HD2 LEU 5 5.268 1.322 -11.343 45 3HD2 LEU 5 3HD2 LEU 5 5.479 -0.367 -11.763 46 H VAL 6 HN VAL 6 0.515 1.607 -7.771 47 HA VAL 6 HA VAL 6 0.862 -1.323 -7.662 48 HB VAL 6 HB VAL 6 1.556 -0.423 -5.410 49 1HG1 VAL 6 1HG1 VAL 6 0.095 0.532 -3.898 50 2HG1 VAL 6 2HG1 VAL 6 -0.132 1.472 -5.374 51 3HG1 VAL 6 3HG1 VAL 6 -1.336 0.241 -4.926 52 1HG2 VAL 6 1HG2 VAL 6 0.915 -2.695 -5.481 53 2HG2 VAL 6 2HG2 VAL 6 0.180 -1.947 -4.041 54 3HG2 VAL 6 3HG2 VAL 6 -0.809 -2.308 -5.413 55 H LYS 7 HN LYS 7 -0.645 0.507 -9.259 56 HA LYS 7 HA LYS 7 -3.414 0.250 -8.346 57 1HB LYS 7 2HB LYS 7 -3.978 1.510 -10.410 58 2HB LYS 7 3HB LYS 7 -2.770 2.321 -9.425 59 1HG LYS 7 2HG LYS 7 -1.095 2.063 -10.986 60 2HG LYS 7 3HG LYS 7 -1.744 0.558 -11.653 61 1HD LYS 7 2HD LYS 7 -3.459 1.677 -12.880 62 2HD LYS 7 3HD LYS 7 -3.180 3.202 -12.003 63 1HE LYS 7 2HE LYS 7 -0.874 3.260 -12.934 64 2HE LYS 7 3HE LYS 7 -1.244 1.856 -13.949 65 1HZ LYS 7 1HZ LYS 7 -1.517 4.087 -15.008 66 2HZ LYS 7 2HZ LYS 7 -2.900 3.186 -15.088 67 3HZ LYS 7 3HZ LYS 7 -2.734 4.413 -13.988 68 H TYR 8 HN TYR 8 -2.062 -2.296 -8.964 69 HA TYR 8 HA TYR 8 -4.055 -3.369 -10.890 70 1HB TYR 8 2HB TYR 8 -1.069 -3.928 -11.089 71 2HB TYR 8 3HB TYR 8 -2.318 -4.695 -12.049 72 HD1 TYR 8 HD1 TYR 8 -3.928 -2.975 -13.368 73 HD2 TYR 8 HD2 TYR 8 0.158 -2.231 -12.177 74 HE1 TYR 8 HE1 TYR 8 -3.724 -1.296 -15.153 75 HE2 TYR 8 HE2 TYR 8 0.383 -0.556 -13.982 76 HH TYR 8 HH TYR 8 -2.264 0.177 -16.276 77 H GLY 9 HN GLY 9 -3.781 -3.412 -7.980 78 1HA GLY 9 1HA GLY 9 -3.873 -4.890 -6.204 79 2HA GLY 9 2HA GLY 9 -3.826 -6.249 -7.318 80 H THR 10 HN THR 10 -1.807 -6.813 -8.183 81 HA THR 10 HA THR 10 0.077 -6.644 -5.897 82 HB THR 10 HB THR 10 0.456 -9.120 -6.888 83 HG1 THR 10 HG1 THR 10 -1.471 -9.902 -7.707 84 1HG2 THR 10 1HG2 THR 10 -1.848 -8.223 -5.082 85 2HG2 THR 10 2HG2 THR 10 -1.263 -9.886 -5.218 86 3HG2 THR 10 3HG2 THR 10 -0.212 -8.646 -4.551 87 H ASP 11 HN ASP 11 1.498 -4.949 -6.745 88 HA ASP 11 HA ASP 11 3.692 -6.246 -8.153 89 1HB ASP 11 2HB ASP 11 2.072 -5.281 -9.949 90 2HB ASP 11 3HB ASP 11 2.634 -3.709 -9.446 91 H HIS 12 HN HIS 12 3.550 -5.311 -5.476 92 HA HIS 12 HA HIS 12 5.818 -3.615 -5.349 93 1HB HIS 12 2HB HIS 12 4.944 -1.597 -4.614 94 2HB HIS 12 3HB HIS 12 3.685 -2.044 -5.726 95 HD1 HIS 12 HD1 HIS 12 2.457 -4.196 -3.234 96 HD2 HIS 12 HD2 HIS 12 3.313 -0.076 -3.189 97 HE1 HIS 12 HE1 HIS 12 1.069 -3.208 -1.415 98 HA PRO 13 HA PRO 13 5.894 -5.723 -1.476 99 1HB PRO 13 2HB PRO 13 7.059 -4.073 0.364 100 2HB PRO 13 3HB PRO 13 7.877 -4.733 -1.072 101 1HG PRO 13 2HG PRO 13 6.924 -1.944 -0.582 102 2HG PRO 13 3HG PRO 13 8.286 -2.512 -1.584 103 1HD PRO 13 2HD PRO 13 5.562 -1.900 -2.354 104 2HD PRO 13 3HD PRO 13 6.881 -2.412 -3.422 105 H VAL 14 HN VAL 14 5.137 -5.896 0.841 106 HA VAL 14 HA VAL 14 4.017 -4.455 2.530 107 HB VAL 14 HB VAL 14 2.027 -4.741 0.322 108 1HG1 VAL 14 1HG1 VAL 14 0.098 -4.607 1.968 109 2HG1 VAL 14 2HG1 VAL 14 0.843 -6.195 1.750 110 3HG1 VAL 14 3HG1 VAL 14 1.232 -5.216 3.188 111 1HG2 VAL 14 1HG2 VAL 14 1.631 -2.801 2.595 112 2HG2 VAL 14 2HG2 VAL 14 3.092 -2.566 1.623 113 3HG2 VAL 14 3HG2 VAL 14 1.535 -2.544 0.843 114 H GLU 15 HN GLU 15 3.154 -7.260 0.545 115 HA GLU 15 HA GLU 15 3.753 -9.133 2.793 116 1HB GLU 15 2HB GLU 15 0.967 -8.584 1.649 117 2HB GLU 15 3HB GLU 15 1.365 -10.114 2.392 118 1HG GLU 15 2HG GLU 15 2.279 -8.719 4.359 119 2HG GLU 15 3HG GLU 15 1.395 -7.381 3.685 120 H LYS 16 HN LYS 16 5.057 -8.642 0.371 121 HA LYS 16 HA LYS 16 5.784 -11.230 -0.065 122 1HB LYS 16 2HB LYS 16 3.523 -11.150 -1.512 123 2HB LYS 16 3HB LYS 16 4.547 -10.374 -2.693 124 1HG LYS 16 2HG LYS 16 4.667 -12.630 -3.204 125 2HG LYS 16 3HG LYS 16 6.185 -12.363 -2.343 126 1HD LYS 16 2HD LYS 16 5.251 -13.331 -0.259 127 2HD LYS 16 3HD LYS 16 3.655 -13.425 -0.989 128 1HE LYS 16 2HE LYS 16 5.399 -14.732 -2.799 129 2HE LYS 16 3HE LYS 16 5.946 -15.226 -1.197 130 1HZ LYS 16 1HZ LYS 16 3.097 -15.420 -2.040 131 2HZ LYS 16 2HZ LYS 16 4.123 -16.671 -2.189 132 3HZ LYS 16 3HZ LYS 16 3.766 -16.113 -0.718 133 H LEU 17 HN LEU 17 5.605 -8.598 -2.547 134 HA LEU 17 HA LEU 17 8.251 -8.835 -3.179 135 1HB LEU 17 2HB LEU 17 6.203 -7.099 -3.880 136 2HB LEU 17 3HB LEU 17 7.395 -5.973 -3.275 137 HG LEU 17 HG LEU 17 7.729 -6.093 -5.572 138 1HD1 LEU 17 1HD1 LEU 17 9.867 -7.961 -4.496 139 2HD1 LEU 17 2HD1 LEU 17 10.005 -6.820 -5.832 140 3HD1 LEU 17 3HD1 LEU 17 9.830 -6.221 -4.169 141 1HD2 LEU 17 1HD2 LEU 17 7.870 -9.127 -5.445 142 2HD2 LEU 17 2HD2 LEU 17 6.485 -8.178 -6.014 143 3HD2 LEU 17 3HD2 LEU 17 8.012 -8.110 -6.888 144 H LYS 18 HN LYS 18 6.898 -7.145 -0.494 145 HA LYS 18 HA LYS 18 9.094 -5.748 0.580 146 1HB LYS 18 2HB LYS 18 7.762 -5.261 2.244 147 2HB LYS 18 3HB LYS 18 6.552 -6.271 1.503 148 1HG LYS 18 2HG LYS 18 8.478 -7.288 3.612 149 2HG LYS 18 3HG LYS 18 6.917 -6.590 3.965 150 1HD LYS 18 2HD LYS 18 5.723 -8.316 3.154 151 2HD LYS 18 3HD LYS 18 6.829 -8.739 1.896 152 1HE LYS 18 2HE LYS 18 6.360 -10.322 3.872 153 2HE LYS 18 3HE LYS 18 8.011 -10.190 3.220 154 1HZ LYS 18 1HZ LYS 18 8.540 -8.684 5.069 155 2HZ LYS 18 2HZ LYS 18 7.011 -9.008 5.685 156 3HZ LYS 18 3HZ LYS 18 8.160 -10.181 5.549 157 H ILE 19 HN ILE 19 8.588 -9.254 0.461 158 HA ILE 19 HA ILE 19 10.434 -9.781 2.603 159 HB ILE 19 HB ILE 19 8.299 -11.114 1.482 160 1HG1 ILE 19 2HG1 ILE 19 10.381 -12.797 2.886 161 2HG1 ILE 19 3HG1 ILE 19 9.606 -11.442 3.711 162 1HG2 ILE 19 1HG2 ILE 19 10.596 -12.815 0.490 163 2HG2 ILE 19 2HG2 ILE 19 8.848 -13.124 0.391 164 3HG2 ILE 19 3HG2 ILE 19 9.550 -11.831 -0.552 165 1HD1 ILE 19 1HD1 ILE 19 7.360 -12.338 3.026 166 2HD1 ILE 19 2HD1 ILE 19 8.182 -13.825 2.520 167 3HD1 ILE 19 3HD1 ILE 19 8.254 -13.304 4.214 168 H ARG 20 HN ARG 20 10.433 -9.465 -0.845 169 HA ARG 20 HA ARG 20 13.034 -10.704 -1.289 170 1HB ARG 20 2HB ARG 20 11.284 -8.915 -3.035 171 2HB ARG 20 3HB ARG 20 12.806 -9.649 -3.521 172 1HG ARG 20 2HG ARG 20 11.683 -11.427 -4.166 173 2HG ARG 20 3HG ARG 20 11.400 -11.822 -2.459 174 1HD ARG 20 2HD ARG 20 9.175 -10.979 -2.539 175 2HD ARG 20 3HD ARG 20 9.495 -10.166 -4.089 176 HE ARG 20 HE ARG 20 8.955 -12.989 -3.522 177 1HH1 ARG 20 2HH2 ARG 20 9.716 -10.565 -6.121 178 2HH1 ARG 20 1HH2 ARG 20 9.268 -11.630 -7.352 179 1HH2 ARG 20 2HH1 ARG 20 8.393 -14.343 -5.227 180 2HH2 ARG 20 1HH1 ARG 20 8.470 -13.788 -6.868 181 H SER 21 HN SER 21 11.707 -7.428 -0.707 182 HA SER 21 HA SER 21 14.071 -6.711 0.729 183 1HB SER 21 2HB SER 21 13.646 -5.716 -2.074 184 2HB SER 21 3HB SER 21 14.332 -4.595 -0.880 185 HG SER 21 HG SER 21 15.311 -7.216 -1.349 186 H ALA 22 HN ALA 22 13.078 -5.907 2.403 187 HA ALA 22 HA ALA 22 12.150 -3.303 2.490 188 1HB ALA 22 1HB ALA 22 9.994 -5.365 3.287 189 2HB ALA 22 2HB ALA 22 9.921 -3.634 3.615 190 3HB ALA 22 3HB ALA 22 9.850 -4.198 1.947 191 H LYS 23 HN LYS 23 11.941 -2.663 4.774 192 HA LYS 23 HA LYS 23 12.369 -4.731 6.800 193 1HB LYS 23 2HB LYS 23 14.512 -3.030 5.920 194 2HB LYS 23 3HB LYS 23 13.911 -2.336 7.379 195 1HG LYS 23 2HG LYS 23 15.781 -3.618 7.889 196 2HG LYS 23 3HG LYS 23 14.365 -4.307 8.666 197 1HD LYS 23 2HD LYS 23 15.379 -5.375 5.981 198 2HD LYS 23 3HD LYS 23 16.127 -5.889 7.509 199 1HE LYS 23 2HE LYS 23 13.385 -5.923 7.978 200 2HE LYS 23 3HE LYS 23 13.512 -6.602 6.368 201 1HZ LYS 23 1HZ LYS 23 15.016 -8.281 7.215 202 2HZ LYS 23 2HZ LYS 23 14.924 -7.644 8.748 203 3HZ LYS 23 3HZ LYS 23 13.596 -8.311 8.054 204 H ALA 24 HN ALA 24 12.418 -3.229 9.015 205 HA ALA 24 HA ALA 24 9.675 -2.562 9.054 206 1HB ALA 24 1HB ALA 24 11.534 -1.606 11.219 207 2HB ALA 24 2HB ALA 24 9.853 -2.079 11.339 208 3HB ALA 24 3HB ALA 24 11.086 -3.331 11.081 209 H GLU 25 HN GLU 25 12.328 -0.510 8.037 210 HA GLU 25 HA GLU 25 10.710 1.851 8.713 211 1HB GLU 25 2HB GLU 25 13.284 1.436 9.578 212 2HB GLU 25 3HB GLU 25 13.565 2.151 7.954 213 1HG GLU 25 2HG GLU 25 11.934 3.972 8.578 214 2HG GLU 25 3HG GLU 25 11.787 3.255 10.177 215 H ASP 26 HN ASP 26 10.227 0.194 6.603 216 HA ASP 26 HA ASP 26 10.953 1.905 4.343 217 1HB ASP 26 2HB ASP 26 10.038 -0.885 4.754 218 2HB ASP 26 3HB ASP 26 9.400 -0.108 3.305 219 H LYS 27 HN LYS 27 8.875 2.445 2.892 220 HA LYS 27 HA LYS 27 6.556 2.943 4.592 221 1HB LYS 27 2HB LYS 27 7.899 5.070 2.878 222 2HB LYS 27 3HB LYS 27 6.445 5.218 3.842 223 1HG LYS 27 2HG LYS 27 7.873 6.192 5.330 224 2HG LYS 27 3HG LYS 27 8.072 4.541 5.866 225 1HD LYS 27 2HD LYS 27 10.122 4.393 4.380 226 2HD LYS 27 3HD LYS 27 9.857 6.098 3.954 227 1HE LYS 27 2HE LYS 27 10.273 6.862 6.124 228 2HE LYS 27 3HE LYS 27 10.176 5.234 6.831 229 1HZ LYS 27 1HZ LYS 27 12.248 6.020 4.872 230 2HZ LYS 27 2HZ LYS 27 12.463 6.201 6.453 231 3HZ LYS 27 3HZ LYS 27 12.246 4.675 5.854 232 H ILE 28 HN ILE 28 4.642 2.508 3.499 233 HA ILE 28 HA ILE 28 4.731 2.276 0.610 234 HB ILE 28 HB ILE 28 3.843 -0.140 2.168 235 1HG1 ILE 28 2HG1 ILE 28 6.672 -0.319 1.021 236 2HG1 ILE 28 3HG1 ILE 28 6.409 0.154 2.713 237 1HG2 ILE 28 1HG2 ILE 28 4.808 0.479 -0.679 238 2HG2 ILE 28 2HG2 ILE 28 4.527 -1.159 -0.148 239 3HG2 ILE 28 3HG2 ILE 28 3.183 -0.043 -0.154 240 1HD1 ILE 28 1HD1 ILE 28 5.395 -2.369 1.437 241 2HD1 ILE 28 2HD1 ILE 28 6.754 -2.206 2.572 242 3HD1 ILE 28 3HD1 ILE 28 5.091 -1.850 3.106 243 H VAL 29 HN VAL 29 2.624 1.892 -0.210 244 HA VAL 29 HA VAL 29 0.279 2.240 1.468 245 HB VAL 29 HB VAL 29 1.111 4.390 -0.520 246 1HG1 VAL 29 1HG1 VAL 29 -1.305 4.065 -0.788 247 2HG1 VAL 29 2HG1 VAL 29 -1.541 4.073 0.982 248 3HG1 VAL 29 3HG1 VAL 29 -1.040 5.532 0.108 249 1HG2 VAL 29 1HG2 VAL 29 2.156 4.884 1.541 250 2HG2 VAL 29 2HG2 VAL 29 0.684 5.856 1.568 251 3HG2 VAL 29 3HG2 VAL 29 0.748 4.343 2.473 252 H LEU 30 HN LEU 30 -1.663 1.736 0.285 253 HA LEU 30 HA LEU 30 -1.312 0.451 -2.429 254 1HB LEU 30 2HB LEU 30 -3.780 -0.112 -0.872 255 2HB LEU 30 3HB LEU 30 -2.847 -1.150 -1.928 256 HG LEU 30 HG LEU 30 -2.195 -0.573 0.988 257 1HD1 LEU 30 1HD1 LEU 30 -4.259 -1.898 0.719 258 2HD1 LEU 30 2HD1 LEU 30 -3.435 -3.003 -0.375 259 3HD1 LEU 30 3HD1 LEU 30 -2.946 -2.906 1.339 260 1HD2 LEU 30 1HD2 LEU 30 -0.965 -2.442 -1.064 261 2HD2 LEU 30 2HD2 LEU 30 -0.162 -1.109 -0.213 262 3HD2 LEU 30 3HD2 LEU 30 -0.677 -2.541 0.696 263 H ILE 31 HN ILE 31 -2.682 0.942 -4.094 264 HA ILE 31 HA ILE 31 -4.877 2.823 -3.607 265 HB ILE 31 HB ILE 31 -4.188 4.405 -5.082 266 1HG1 ILE 31 2HG1 ILE 31 -2.127 2.541 -6.326 267 2HG1 ILE 31 3HG1 ILE 31 -3.675 2.731 -6.952 268 1HG2 ILE 31 1HG2 ILE 31 -2.531 4.350 -3.117 269 2HG2 ILE 31 2HG2 ILE 31 -1.382 3.577 -4.215 270 3HG2 ILE 31 3HG2 ILE 31 -1.979 5.207 -4.540 271 1HD1 ILE 31 1HD1 ILE 31 -2.262 4.193 -8.201 272 2HD1 ILE 31 2HD1 ILE 31 -3.456 5.121 -7.252 273 3HD1 ILE 31 3HD1 ILE 31 -1.788 5.057 -6.725 274 H GLN 32 HN GLN 32 -6.203 3.034 -5.690 275 HA GLN 32 HA GLN 32 -7.669 1.994 -6.887 276 1HB GLN 32 2HB GLN 32 -5.261 1.069 -8.404 277 2HB GLN 32 3HB GLN 32 -6.893 1.026 -9.030 278 1HG GLN 32 2HG GLN 32 -5.696 3.597 -8.088 279 2HG GLN 32 3HG GLN 32 -5.469 3.017 -9.724 280 1HE2 GLN 32 1HE2 GLN 32 -7.882 4.333 -7.508 281 2HE2 GLN 32 2HE2 GLN 32 -9.262 4.144 -8.585 282 H ASN 33 HN ASN 33 -6.385 -0.625 -8.306 283 HA ASN 33 HA ASN 33 -7.837 -2.601 -6.730 284 1HB ASN 33 2HB ASN 33 -5.861 -3.058 -9.039 285 2HB ASN 33 3HB ASN 33 -6.918 -4.220 -8.315 286 1HD2 ASN 33 1HD2 ASN 33 -7.041 -1.272 -10.445 287 2HD2 ASN 33 2HD2 ASN 33 -8.703 -1.554 -10.861 288 H GLY 34 HN GLY 34 -4.599 -1.272 -6.571 289 1HA GLY 34 1HA GLY 34 -2.874 -3.026 -5.529 290 2HA GLY 34 2HA GLY 34 -3.069 -1.430 -4.986 291 H VAL 35 HN VAL 35 -5.752 -1.504 -4.024 292 HA VAL 35 HA VAL 35 -5.378 -1.887 -1.308 293 HB VAL 35 HB VAL 35 -7.768 -1.756 -1.178 294 1HG1 VAL 35 1HG1 VAL 35 -8.101 0.385 -2.394 295 2HG1 VAL 35 2HG1 VAL 35 -6.574 0.307 -1.508 296 3HG1 VAL 35 3HG1 VAL 35 -6.585 0.121 -3.258 297 1HG2 VAL 35 1HG2 VAL 35 -9.115 -1.560 -3.369 298 2HG2 VAL 35 2HG2 VAL 35 -7.778 -2.416 -4.139 299 3HG2 VAL 35 3HG2 VAL 35 -8.665 -3.183 -2.818 300 H PHE 36 HN PHE 36 -5.905 -4.377 -3.718 301 HA PHE 36 HA PHE 36 -6.903 -6.561 -2.274 302 1HB PHE 36 2HB PHE 36 -4.971 -6.187 -4.592 303 2HB PHE 36 3HB PHE 36 -5.313 -7.775 -3.964 304 HD1 PHE 36 HD1 PHE 36 -5.956 -8.423 -6.201 305 HD2 PHE 36 HD2 PHE 36 -8.206 -5.416 -4.056 306 HE1 PHE 36 HE1 PHE 36 -7.857 -8.743 -7.737 307 HE2 PHE 36 HE2 PHE 36 -10.121 -5.784 -5.593 308 HZ PHE 36 HZ PHE 36 -9.953 -7.418 -7.412 309 H TRP 37 HN TRP 37 -3.773 -4.993 -1.881 310 HA TRP 37 HA TRP 37 -2.515 -7.370 -0.765 311 1HB TRP 37 2HB TRP 37 -1.814 -4.458 -0.369 312 2HB TRP 37 3HB TRP 37 -0.923 -5.801 0.292 313 HD1 TRP 37 HD1 TRP 37 -1.333 -3.858 -2.941 314 HE1 TRP 37 HE1 TRP 37 0.147 -4.751 -4.689 315 HE3 TRP 37 HE3 TRP 37 0.455 -7.947 -0.427 316 HZ2 TRP 37 HZ2 TRP 37 2.378 -6.769 -4.851 317 HZ3 TRP 37 HZ3 TRP 37 2.292 -9.280 -1.368 318 HH2 TRP 37 HH2 TRP 37 3.373 -8.610 -3.532 319 H ALA 38 HN ALA 38 -4.896 -5.135 0.512 320 HA ALA 38 HA ALA 38 -4.198 -5.585 3.343 321 1HB ALA 38 1HB ALA 38 -6.642 -4.244 2.129 322 2HB ALA 38 2HB ALA 38 -6.045 -4.072 3.787 323 3HB ALA 38 3HB ALA 38 -5.113 -3.365 2.480 324 H LEU 39 HN LEU 39 -4.541 -7.942 2.065 325 HA LEU 39 HA LEU 39 -6.414 -9.476 3.538 326 1HB LEU 39 2HB LEU 39 -8.044 -9.905 1.685 327 2HB LEU 39 3HB LEU 39 -8.124 -8.402 2.554 328 HG LEU 39 HG LEU 39 -6.647 -7.553 0.414 329 1HD1 LEU 39 1HD1 LEU 39 -7.724 -8.449 -1.631 330 2HD1 LEU 39 2HD1 LEU 39 -6.731 -9.648 -0.810 331 3HD1 LEU 39 3HD1 LEU 39 -8.497 -9.724 -0.644 332 1HD2 LEU 39 1HD2 LEU 39 -8.701 -6.551 -0.390 333 2HD2 LEU 39 2HD2 LEU 39 -9.629 -7.671 0.642 334 3HD2 LEU 39 3HD2 LEU 39 -8.575 -6.459 1.379 335 H GLU 40 HN GLU 40 -3.690 -9.569 2.897 336 HA GLU 40 HA GLU 40 -3.362 -11.931 1.156 337 1HB GLU 40 2HB GLU 40 -1.538 -9.712 2.168 338 2HB GLU 40 3HB GLU 40 -0.877 -11.179 1.431 339 1HG GLU 40 2HG GLU 40 -3.026 -9.668 -0.013 340 2HG GLU 40 3HG GLU 40 -1.384 -9.041 0.036 341 H GLU 41 HN GLU 41 -1.026 -13.012 2.339 342 HA GLU 41 HA GLU 41 -1.915 -13.766 5.054 343 1HB GLU 41 2HB GLU 41 -1.671 -16.117 4.440 344 2HB GLU 41 3HB GLU 41 -2.947 -15.332 3.515 345 1HG GLU 41 2HG GLU 41 -1.655 -15.287 1.503 346 2HG GLU 41 3HG GLU 41 -0.144 -15.640 2.353 347 H LEU 42 HN LEU 42 0.056 -12.057 4.864 348 HA LEU 42 HA LEU 42 2.527 -13.649 5.288 349 1HB LEU 42 2HB LEU 42 1.766 -12.260 2.979 350 2HB LEU 42 3HB LEU 42 2.888 -11.147 3.753 351 HG LEU 42 HG LEU 42 4.157 -12.528 2.239 352 1HD1 LEU 42 1HD1 LEU 42 5.703 -13.807 3.541 353 2HD1 LEU 42 2HD1 LEU 42 5.370 -12.234 4.304 354 3HD1 LEU 42 3HD1 LEU 42 4.668 -13.720 4.965 355 1HD2 LEU 42 1HD2 LEU 42 2.479 -14.303 1.922 356 2HD2 LEU 42 2HD2 LEU 42 4.132 -14.922 2.146 357 3HD2 LEU 42 3HD2 LEU 42 2.960 -15.018 3.471 358 H GLU 43 HN GLU 43 3.827 -10.756 5.246 359 HA GLU 43 HA GLU 43 2.943 -9.724 7.823 360 1HB GLU 43 2HB GLU 43 5.044 -10.120 8.944 361 2HB GLU 43 3HB GLU 43 4.468 -11.683 8.340 362 1HG GLU 43 2HG GLU 43 5.986 -11.030 6.233 363 2HG GLU 43 3HG GLU 43 6.753 -9.953 7.404 364 H THR 44 HN THR 44 3.579 -7.553 7.971 365 HA THR 44 HA THR 44 5.869 -6.548 6.345 366 HB THR 44 HB THR 44 3.873 -5.592 5.340 367 HG1 THR 44 HG1 THR 44 4.486 -3.438 5.636 368 1HG2 THR 44 1HG2 THR 44 3.326 -3.983 7.826 369 2HG2 THR 44 2HG2 THR 44 2.277 -4.315 6.421 370 3HG2 THR 44 3HG2 THR 44 2.540 -5.560 7.621 371 HA PRO 45 HA PRO 45 6.503 -4.738 10.407 372 1HB PRO 45 2HB PRO 45 9.135 -4.335 10.275 373 2HB PRO 45 3HB PRO 45 8.491 -5.973 10.420 374 1HG PRO 45 2HG PRO 45 9.614 -4.594 7.986 375 2HG PRO 45 3HG PRO 45 9.740 -6.315 8.462 376 1HD PRO 45 2HD PRO 45 7.858 -5.075 6.702 377 2HD PRO 45 3HD PRO 45 7.817 -6.779 7.311 378 H ALA 46 HN ALA 46 6.478 -3.349 7.294 379 HA ALA 46 HA ALA 46 7.747 -0.780 7.898 380 1HB ALA 46 1HB ALA 46 7.870 -1.817 5.642 381 2HB ALA 46 2HB ALA 46 6.090 -1.739 5.510 382 3HB ALA 46 3HB ALA 46 7.037 -0.256 5.570 383 H LYS 47 HN LYS 47 6.118 1.336 7.039 384 HA LYS 47 HA LYS 47 3.666 1.064 8.591 385 1HB LYS 47 2HB LYS 47 3.303 3.346 7.827 386 2HB LYS 47 3HB LYS 47 4.629 3.177 8.972 387 1HG LYS 47 2HG LYS 47 6.236 3.585 7.365 388 2HG LYS 47 3HG LYS 47 5.204 3.119 6.032 389 1HD LYS 47 2HD LYS 47 5.516 5.460 5.833 390 2HD LYS 47 3HD LYS 47 3.882 5.005 6.228 391 1HE LYS 47 2HE LYS 47 3.977 6.638 7.816 392 2HE LYS 47 3HE LYS 47 4.965 5.524 8.754 393 1HZ LYS 47 1HZ LYS 47 6.090 7.490 6.811 394 2HZ LYS 47 2HZ LYS 47 5.893 7.805 8.388 395 3HZ LYS 47 3HZ LYS 47 6.932 6.634 7.950 396 H VAL 48 HN VAL 48 1.685 0.629 7.357 397 HA VAL 48 HA VAL 48 1.833 0.602 4.481 398 HB VAL 48 HB VAL 48 0.538 -1.475 4.877 399 1HG1 VAL 48 1HG1 VAL 48 2.990 -1.368 4.134 400 2HG1 VAL 48 2HG1 VAL 48 3.423 -1.789 5.800 401 3HG1 VAL 48 3HG1 VAL 48 2.476 -2.919 4.792 402 1HG2 VAL 48 1HG2 VAL 48 0.004 -1.273 7.215 403 2HG2 VAL 48 2HG2 VAL 48 0.771 -2.814 6.904 404 3HG2 VAL 48 3HG2 VAL 48 1.708 -1.524 7.668 405 H TYR 49 HN TYR 49 -0.094 1.081 3.723 406 HA TYR 49 HA TYR 49 -2.377 1.788 5.389 407 1HB TYR 49 2HB TYR 49 -0.663 3.859 3.973 408 2HB TYR 49 3HB TYR 49 -2.242 4.149 4.646 409 HD1 TYR 49 HD1 TYR 49 -2.563 3.783 7.160 410 HD2 TYR 49 HD2 TYR 49 1.393 4.214 5.432 411 HE1 TYR 49 HE1 TYR 49 -1.719 4.711 9.301 412 HE2 TYR 49 HE2 TYR 49 2.136 5.272 7.517 413 HH TYR 49 HH TYR 49 0.657 4.950 10.416 414 H ALA 50 HN ALA 50 -4.218 2.396 3.853 415 HA ALA 50 HA ALA 50 -3.592 1.962 0.951 416 1HB ALA 50 1HB ALA 50 -5.276 0.354 0.806 417 2HB ALA 50 2HB ALA 50 -4.195 -0.132 2.111 418 3HB ALA 50 3HB ALA 50 -5.759 0.577 2.520 419 H ILE 51 HN ILE 51 -5.094 2.978 -0.452 420 HA ILE 51 HA ILE 51 -6.257 5.419 0.651 421 HB ILE 51 HB ILE 51 -5.937 4.327 -2.199 422 1HG1 ILE 51 2HG1 ILE 51 -3.849 5.082 -1.609 423 2HG1 ILE 51 3HG1 ILE 51 -4.602 6.416 -2.465 424 1HG2 ILE 51 1HG2 ILE 51 -6.762 6.450 -3.038 425 2HG2 ILE 51 2HG2 ILE 51 -8.002 5.839 -1.963 426 3HG2 ILE 51 3HG2 ILE 51 -6.946 7.114 -1.398 427 1HD1 ILE 51 1HD1 ILE 51 -4.044 6.154 0.510 428 2HD1 ILE 51 2HD1 ILE 51 -3.390 7.321 -0.650 429 3HD1 ILE 51 3HD1 ILE 51 -5.089 7.426 -0.162 430 H LYS 52 HN LYS 52 -7.904 5.432 1.679 431 HA LYS 52 HA LYS 52 -10.024 3.660 1.669 432 1HB LYS 52 2HB LYS 52 -9.389 5.414 3.378 433 2HB LYS 52 3HB LYS 52 -10.176 6.634 2.380 434 1HG LYS 52 2HG LYS 52 -12.307 5.811 2.802 435 2HG LYS 52 3HG LYS 52 -11.745 4.152 3.019 436 1HD LYS 52 2HD LYS 52 -12.314 4.574 5.121 437 2HD LYS 52 3HD LYS 52 -10.641 5.101 5.246 438 1HE LYS 52 2HE LYS 52 -11.277 7.436 5.146 439 2HE LYS 52 3HE LYS 52 -12.919 7.013 4.633 440 1HZ LYS 52 1HZ LYS 52 -13.114 5.800 6.802 441 2HZ LYS 52 2HZ LYS 52 -11.806 6.620 7.343 442 3HZ LYS 52 3HZ LYS 52 -13.169 7.424 6.858 443 H ASP 53 HN ASP 53 -9.990 6.825 -0.097 444 HA ASP 53 HA ASP 53 -12.611 6.437 -1.156 445 1HB ASP 53 2HB ASP 53 -10.302 8.099 -2.199 446 2HB ASP 53 3HB ASP 53 -11.864 8.006 -3.008 447 H ASP 54 HN ASP 54 -9.425 5.366 -2.470 448 HA ASP 54 HA ASP 54 -10.547 4.381 -4.906 449 1HB ASP 54 2HB ASP 54 -7.946 3.905 -3.430 450 2HB ASP 54 3HB ASP 54 -8.401 2.898 -4.801 451 H PHE 55 HN PHE 55 -9.947 2.830 -1.744 452 HA PHE 55 HA PHE 55 -10.597 0.156 -2.401 453 1HB PHE 55 2HB PHE 55 -9.476 1.190 -0.413 454 2HB PHE 55 3HB PHE 55 -11.020 1.663 0.212 455 HD1 PHE 55 HD1 PHE 55 -11.373 0.482 2.180 456 HD2 PHE 55 HD2 PHE 55 -9.853 -1.674 -1.207 457 HE1 PHE 55 HE1 PHE 55 -11.578 -1.666 3.419 458 HE2 PHE 55 HE2 PHE 55 -9.908 -3.766 0.079 459 HZ PHE 55 HZ PHE 55 -10.847 -3.790 2.356 460 H LEU 56 HN LEU 56 -12.557 2.818 -1.154 461 HA LEU 56 HA LEU 56 -15.070 1.457 -0.927 462 1HB LEU 56 2HB LEU 56 -14.296 4.367 -1.392 463 2HB LEU 56 3HB LEU 56 -15.940 3.859 -1.029 464 HG LEU 56 HG LEU 56 -13.586 3.230 0.835 465 1HD1 LEU 56 1HD1 LEU 56 -13.711 5.666 0.524 466 2HD1 LEU 56 2HD1 LEU 56 -15.459 5.653 0.827 467 3HD1 LEU 56 3HD1 LEU 56 -14.304 5.218 2.120 468 1HD2 LEU 56 1HD2 LEU 56 -15.837 2.000 1.096 469 2HD2 LEU 56 2HD2 LEU 56 -15.348 2.935 2.506 470 3HD2 LEU 56 3HD2 LEU 56 -16.599 3.563 1.389 471 H ALA 57 HN ALA 57 -13.509 3.366 -3.548 472 HA ALA 57 HA ALA 57 -15.648 2.913 -5.389 473 1HB ALA 57 1HB ALA 57 -14.067 3.700 -7.102 474 2HB ALA 57 2HB ALA 57 -13.983 4.732 -5.655 475 3HB ALA 57 3HB ALA 57 -12.713 3.537 -5.969 476 H ARG 58 HN ARG 58 -13.075 0.891 -4.206 477 HA ARG 58 HA ARG 58 -13.344 -1.020 -6.496 478 1HB ARG 58 2HB ARG 58 -11.200 -0.233 -4.740 479 2HB ARG 58 3HB ARG 58 -11.571 -1.806 -4.249 480 1HG ARG 58 2HG ARG 58 -11.085 -1.140 -7.191 481 2HG ARG 58 3HG ARG 58 -9.777 -1.407 -6.045 482 1HD ARG 58 2HD ARG 58 -10.166 -3.512 -7.125 483 2HD ARG 58 3HD ARG 58 -10.676 -3.617 -5.458 484 HE ARG 58 HE ARG 58 -12.895 -3.749 -6.057 485 1HH1 ARG 58 2HH2 ARG 58 -10.983 -3.130 -9.038 486 2HH1 ARG 58 1HH2 ARG 58 -12.403 -3.086 -10.040 487 1HH2 ARG 58 2HH1 ARG 58 -14.681 -3.830 -7.433 488 2HH2 ARG 58 1HH1 ARG 58 -14.537 -3.405 -9.112 489 H GLY 59 HN GLY 59 -15.528 -0.458 -4.499 490 1HA GLY 59 1HA GLY 59 -17.156 -1.623 -3.440 491 2HA GLY 59 2HA GLY 59 -16.700 -2.952 -4.511 492 H TYR 60 HN TYR 60 -15.052 -1.424 -1.611 493 HA TYR 60 HA TYR 60 -15.417 -3.930 -0.101 494 1HB TYR 60 2HB TYR 60 -13.078 -1.999 -0.250 495 2HB TYR 60 3HB TYR 60 -13.357 -3.088 1.073 496 HD1 TYR 60 HD1 TYR 60 -12.787 -5.446 0.951 497 HD2 TYR 60 HD2 TYR 60 -12.327 -2.844 -2.435 498 HE1 TYR 60 HE1 TYR 60 -11.543 -7.233 -0.239 499 HE2 TYR 60 HE2 TYR 60 -11.051 -4.608 -3.628 500 HH TYR 60 HH TYR 60 -10.208 -6.828 -3.537 501 H SER 61 HN SER 61 -15.516 -3.358 2.253 502 HA SER 61 HA SER 61 -16.578 -0.635 2.809 503 1HB SER 61 2HB SER 61 -18.158 -2.582 3.066 504 2HB SER 61 3HB SER 61 -17.071 -3.259 4.290 505 HG SER 61 HG SER 61 -18.114 -0.619 4.476 506 H GLU 62 HN GLU 62 -15.915 -0.026 5.267 507 HA GLU 62 HA GLU 62 -13.187 0.347 4.878 508 1HB GLU 62 2HB GLU 62 -14.905 0.909 7.339 509 2HB GLU 62 3HB GLU 62 -13.255 1.500 7.092 510 1HG GLU 62 2HG GLU 62 -14.075 2.609 4.950 511 2HG GLU 62 3HG GLU 62 -15.713 2.193 5.439 512 H GLU 63 HN GLU 63 -14.948 -1.721 7.215 513 HA GLU 63 HA GLU 63 -12.528 -2.429 8.551 514 1HB GLU 63 2HB GLU 63 -15.384 -3.109 8.845 515 2HB GLU 63 3HB GLU 63 -14.295 -4.401 9.314 516 1HG GLU 63 2HG GLU 63 -13.044 -2.501 10.668 517 2HG GLU 63 3HG GLU 63 -14.578 -1.629 10.484 518 H ASP 64 HN ASP 64 -13.584 -3.403 5.542 519 HA ASP 64 HA ASP 64 -12.939 -6.221 5.584 520 1HB ASP 64 2HB ASP 64 -13.099 -4.272 3.247 521 2HB ASP 64 3HB ASP 64 -12.876 -5.998 3.111 522 H SER 65 HN SER 65 -11.089 -3.310 5.392 523 HA SER 65 HA SER 65 -8.789 -4.540 4.045 524 1HB SER 65 2HB SER 65 -9.016 -2.283 3.463 525 2HB SER 65 3HB SER 65 -9.438 -1.758 5.095 526 HG SER 65 HG SER 65 -7.389 -1.536 5.529 527 H LYS 66 HN LYS 66 -7.308 -5.726 5.261 528 HA LYS 66 HA LYS 66 -7.171 -5.324 8.186 529 1HB LYS 66 2HB LYS 66 -5.713 -7.217 8.204 530 2HB LYS 66 3HB LYS 66 -7.100 -7.566 7.165 531 1HG LYS 66 2HG LYS 66 -5.901 -7.982 5.405 532 2HG LYS 66 3HG LYS 66 -4.917 -6.533 5.543 533 1HD LYS 66 2HD LYS 66 -3.164 -7.623 6.464 534 2HD LYS 66 3HD LYS 66 -4.167 -8.661 7.475 535 1HE LYS 66 2HE LYS 66 -3.802 -9.077 4.450 536 2HE LYS 66 3HE LYS 66 -2.869 -9.889 5.695 537 1HZ LYS 66 1HZ LYS 66 -4.681 -11.273 5.099 538 2HZ LYS 66 2HZ LYS 66 -4.927 -10.767 6.637 539 3HZ LYS 66 3HZ LYS 66 -5.811 -10.110 5.435 540 H VAL 67 HN VAL 67 -6.491 -2.972 6.724 541 HA VAL 67 HA VAL 67 -3.965 -2.387 8.002 542 HB VAL 67 HB VAL 67 -2.681 -1.680 6.209 543 1HG1 VAL 67 1HG1 VAL 67 -2.672 -4.081 6.075 544 2HG1 VAL 67 2HG1 VAL 67 -4.093 -4.083 5.031 545 3HG1 VAL 67 3HG1 VAL 67 -2.585 -3.397 4.430 546 1HG2 VAL 67 1HG2 VAL 67 -4.347 -0.270 5.027 547 2HG2 VAL 67 2HG2 VAL 67 -3.331 -1.224 3.947 548 3HG2 VAL 67 3HG2 VAL 67 -5.005 -1.734 4.274 549 HA PRO 68 HA PRO 68 -6.180 1.312 8.587 550 1HB PRO 68 2HB PRO 68 -4.139 3.204 8.719 551 2HB PRO 68 3HB PRO 68 -4.658 2.074 10.017 552 1HG PRO 68 2HG PRO 68 -2.121 1.994 8.623 553 2HG PRO 68 3HG PRO 68 -2.720 1.010 9.969 554 1HD PRO 68 2HD PRO 68 -2.738 0.409 7.058 555 2HD PRO 68 3HD PRO 68 -2.794 -0.671 8.466 556 H LEU 69 HN LEU 69 -7.472 2.064 7.294 557 HA LEU 69 HA LEU 69 -6.788 2.892 4.573 558 1HB LEU 69 2HB LEU 69 -9.339 3.159 6.227 559 2HB LEU 69 3HB LEU 69 -9.210 3.479 4.496 560 HG LEU 69 HG LEU 69 -8.888 0.752 5.796 561 1HD1 LEU 69 1HD1 LEU 69 -11.194 1.585 5.867 562 2HD1 LEU 69 2HD1 LEU 69 -11.134 2.016 4.145 563 3HD1 LEU 69 3HD1 LEU 69 -11.034 0.321 4.646 564 1HD2 LEU 69 1HD2 LEU 69 -8.797 1.723 2.912 565 2HD2 LEU 69 2HD2 LEU 69 -7.523 0.884 3.826 566 3HD2 LEU 69 3HD2 LEU 69 -8.988 0.022 3.386 567 H ILE 70 HN ILE 70 -6.040 4.669 4.120 568 HA ILE 70 HA ILE 70 -6.482 7.101 5.790 569 HB ILE 70 HB ILE 70 -4.304 7.834 5.343 570 1HG1 ILE 70 2HG1 ILE 70 -3.808 5.485 3.490 571 2HG1 ILE 70 3HG1 ILE 70 -4.069 7.168 2.998 572 1HG2 ILE 70 1HG2 ILE 70 -4.008 4.894 6.004 573 2HG2 ILE 70 2HG2 ILE 70 -2.994 6.244 6.560 574 3HG2 ILE 70 3HG2 ILE 70 -4.649 6.094 7.133 575 1HD1 ILE 70 1HD1 ILE 70 -1.715 6.325 4.726 576 2HD1 ILE 70 2HD1 ILE 70 -1.683 6.577 2.978 577 3HD1 ILE 70 3HD1 ILE 70 -2.063 7.918 4.073 578 H THR 71 HN THR 71 -6.128 9.225 4.424 579 HA THR 71 HA THR 71 -7.734 8.967 2.005 580 HB THR 71 HB THR 71 -7.397 11.532 2.120 581 HG1 THR 71 HG1 THR 71 -6.962 12.127 4.413 582 1HG2 THR 71 1HG2 THR 71 -9.150 11.763 3.751 583 2HG2 THR 71 2HG2 THR 71 -9.457 10.303 2.810 584 3HG2 THR 71 3HG2 THR 71 -8.797 10.170 4.461 585 H TYR 72 HN TYR 72 -6.906 10.301 0.039 586 HA TYR 72 HA TYR 72 -4.303 9.507 -0.842 587 1HB TYR 72 2HB TYR 72 -6.191 11.722 -1.680 588 2HB TYR 72 3HB TYR 72 -4.564 11.653 -2.314 589 HD1 TYR 72 HD1 TYR 72 -7.706 9.715 -2.109 590 HD2 TYR 72 HD2 TYR 72 -3.908 10.180 -4.069 591 HE1 TYR 72 HE1 TYR 72 -8.545 8.372 -4.027 592 HE2 TYR 72 HE2 TYR 72 -4.700 8.852 -5.961 593 HH TYR 72 HH TYR 72 -7.799 7.210 -5.971 594 H SER 73 HN SER 73 -5.383 12.459 0.965 595 HA SER 73 HA SER 73 -2.881 13.777 0.498 596 1HB SER 73 2HB SER 73 -3.801 15.402 2.061 597 2HB SER 73 3HB SER 73 -4.928 14.919 0.782 598 HG SER 73 HG SER 73 -6.243 14.724 2.384 599 H GLU 74 HN GLU 74 -4.124 11.683 3.059 600 HA GLU 74 HA GLU 74 -1.879 12.023 4.869 601 1HB GLU 74 2HB GLU 74 -4.139 10.075 4.520 602 2HB GLU 74 3HB GLU 74 -2.776 9.594 5.517 603 1HG GLU 74 2HG GLU 74 -4.002 12.315 5.984 604 2HG GLU 74 3HG GLU 74 -4.829 10.869 6.574 605 H PHE 75 HN PHE 75 -2.436 10.116 1.928 606 HA PHE 75 HA PHE 75 0.023 8.595 2.195 607 1HB PHE 75 2HB PHE 75 -1.573 7.582 0.894 608 2HB PHE 75 3HB PHE 75 -2.074 9.028 0.109 609 HD1 PHE 75 HD1 PHE 75 -1.942 8.764 -2.162 610 HD2 PHE 75 HD2 PHE 75 1.383 7.462 0.257 611 HE1 PHE 75 HE1 PHE 75 -0.938 7.655 -4.132 612 HE2 PHE 75 HE2 PHE 75 2.424 6.436 -1.710 613 HZ PHE 75 HZ PHE 75 1.233 6.396 -3.885 614 H ILE 76 HN ILE 76 -0.852 11.671 0.497 615 HA ILE 76 HA ILE 76 1.681 11.940 -0.752 616 HB ILE 76 HB ILE 76 -0.205 14.152 0.199 617 1HG1 ILE 76 2HG1 ILE 76 -1.440 12.862 -1.351 618 2HG1 ILE 76 3HG1 ILE 76 -0.885 14.269 -2.213 619 1HG2 ILE 76 1HG2 ILE 76 2.038 15.055 -0.209 620 2HG2 ILE 76 2HG2 ILE 76 2.099 14.296 -1.801 621 3HG2 ILE 76 3HG2 ILE 76 0.930 15.597 -1.464 622 1HD1 ILE 76 1HD1 ILE 76 0.236 11.441 -2.449 623 2HD1 ILE 76 2HD1 ILE 76 -0.716 12.330 -3.646 624 3HD1 ILE 76 3HD1 ILE 76 0.931 12.867 -3.265 625 H ASP 77 HN ASP 77 0.686 12.854 2.572 626 HA ASP 77 HA ASP 77 3.072 14.148 3.396 627 1HB ASP 77 2HB ASP 77 1.212 14.160 4.839 628 2HB ASP 77 3HB ASP 77 1.069 12.411 4.860 629 H LEU 78 HN LEU 78 2.356 10.728 2.898 630 HA LEU 78 HA LEU 78 4.729 9.862 4.280 631 1HB LEU 78 2HB LEU 78 2.915 8.247 2.464 632 2HB LEU 78 3HB LEU 78 4.168 7.607 3.516 633 HG LEU 78 HG LEU 78 1.728 9.102 4.499 634 1HD1 LEU 78 1HD1 LEU 78 2.361 6.137 4.479 635 2HD1 LEU 78 2HD1 LEU 78 0.950 6.912 5.269 636 3HD1 LEU 78 3HD1 LEU 78 1.123 6.971 3.515 637 1HD2 LEU 78 1HD2 LEU 78 3.972 7.736 5.959 638 2HD2 LEU 78 2HD2 LEU 78 3.444 9.425 6.101 639 3HD2 LEU 78 3HD2 LEU 78 2.402 8.146 6.723 640 H LEU 79 HN LEU 79 4.407 11.436 1.429 641 HA LEU 79 HA LEU 79 6.804 10.193 0.185 642 1HB LEU 79 2HB LEU 79 4.912 12.063 -1.224 643 2HB LEU 79 3HB LEU 79 6.225 11.129 -1.893 644 HG LEU 79 HG LEU 79 3.626 9.972 -0.776 645 1HD1 LEU 79 1HD1 LEU 79 3.097 9.498 -3.126 646 2HD1 LEU 79 2HD1 LEU 79 3.281 11.233 -2.834 647 3HD1 LEU 79 3HD1 LEU 79 4.588 10.339 -3.638 648 1HD2 LEU 79 1HD2 LEU 79 5.431 8.360 -0.500 649 2HD2 LEU 79 2HD2 LEU 79 4.421 7.854 -1.853 650 3HD2 LEU 79 3HD2 LEU 79 5.988 8.646 -2.160 651 H GLU 80 HN GLU 80 5.337 13.407 -0.001 652 HA GLU 80 HA GLU 80 6.358 15.444 -0.153 653 1HB GLU 80 2HB GLU 80 7.127 14.518 2.619 654 2HB GLU 80 3HB GLU 80 7.288 16.190 2.066 655 1HG GLU 80 2HG GLU 80 4.725 14.562 1.969 656 2HG GLU 80 3HG GLU 80 5.092 15.681 3.270 657 H GLY 81 HN GLY 81 9.018 14.237 1.666 658 1HA GLY 81 1HA GLY 81 10.909 15.101 -0.505 659 2HA GLY 81 2HA GLY 81 11.282 15.142 1.216 660 H GLU 82 HN GLU 82 9.606 12.281 -0.143 661 HA GLU 82 HA GLU 82 12.012 10.627 0.124 662 1HB GLU 82 2HB GLU 82 9.268 10.015 1.304 663 2HB GLU 82 3HB GLU 82 10.483 8.827 0.955 664 1HG GLU 82 2HG GLU 82 11.613 10.956 2.643 665 2HG GLU 82 3HG GLU 82 10.194 10.214 3.372 666 H GLU 83 HN GLU 83 12.149 9.875 -1.969 667 HA GLU 83 HA GLU 83 9.645 9.277 -3.435 668 1HB GLU 83 2HB GLU 83 10.917 10.161 -5.465 669 2HB GLU 83 3HB GLU 83 10.311 11.339 -4.329 670 1HG GLU 83 2HG GLU 83 12.297 11.959 -3.497 671 2HG GLU 83 3HG GLU 83 13.070 10.393 -3.756 672 H LYS 84 HN LYS 84 10.367 7.112 -2.337 673 HA LYS 84 HA LYS 84 11.641 5.616 -4.588 674 1HB LYS 84 2HB LYS 84 13.405 4.613 -3.269 675 2HB LYS 84 3HB LYS 84 13.535 6.363 -3.175 676 1HG LYS 84 2HG LYS 84 11.884 5.546 -0.964 677 2HG LYS 84 3HG LYS 84 13.228 4.416 -1.034 678 1HD LYS 84 2HD LYS 84 13.743 6.254 0.456 679 2HD LYS 84 3HD LYS 84 14.824 6.332 -0.947 680 1HE LYS 84 2HE LYS 84 13.507 8.110 -1.942 681 2HE LYS 84 3HE LYS 84 12.228 7.916 -0.720 682 1HZ LYS 84 1HZ LYS 84 13.818 9.818 -0.366 683 2HZ LYS 84 2HZ LYS 84 13.647 8.797 0.930 684 3HZ LYS 84 3HZ LYS 84 14.980 8.752 -0.021 685 H PHE 85 HN PHE 85 8.938 5.594 -3.509 686 HA PHE 85 HA PHE 85 8.307 2.919 -3.680 687 1HB PHE 85 2HB PHE 85 7.539 2.653 -1.197 688 2HB PHE 85 3HB PHE 85 9.105 2.138 -1.792 689 HD1 PHE 85 HD1 PHE 85 8.031 5.587 -0.600 690 HD2 PHE 85 HD2 PHE 85 10.562 2.153 0.007 691 HE1 PHE 85 HE1 PHE 85 9.290 6.824 1.112 692 HE2 PHE 85 HE2 PHE 85 11.819 3.397 1.735 693 HZ PHE 85 HZ PHE 85 11.218 5.783 2.237 694 H ILE 86 HN ILE 86 7.089 4.233 -5.012 695 HA ILE 86 HA ILE 86 4.901 5.838 -3.747 696 HB ILE 86 HB ILE 86 5.479 6.148 -6.632 697 1HG1 ILE 86 2HG1 ILE 86 7.794 6.212 -5.834 698 2HG1 ILE 86 3HG1 ILE 86 7.246 7.774 -6.392 699 1HG2 ILE 86 1HG2 ILE 86 3.701 7.471 -5.645 700 2HG2 ILE 86 2HG2 ILE 86 4.789 8.106 -4.417 701 3HG2 ILE 86 3HG2 ILE 86 5.005 8.550 -6.112 702 1HD1 ILE 86 1HD1 ILE 86 8.626 7.728 -4.287 703 2HD1 ILE 86 2HD1 ILE 86 7.122 8.661 -4.170 704 3HD1 ILE 86 3HD1 ILE 86 7.241 7.064 -3.436 705 H GLY 87 HN GLY 87 2.887 5.812 -5.520 706 1HA GLY 87 1HA GLY 87 2.936 4.492 -7.704 707 2HA GLY 87 2HA GLY 87 2.621 3.113 -6.654 Start of MODEL 13 1 1H MET 1 HN MET 1 15.643 0.271 -10.690 2 HA MET 1 HA MET 1 13.730 -1.222 -10.813 3 1HB MET 1 2HB MET 1 15.117 -3.306 -10.548 4 2HB MET 1 3HB MET 1 15.252 -2.936 -8.826 5 1HG MET 1 2HG MET 1 12.473 -2.756 -9.415 6 2HG MET 1 3HG MET 1 13.053 -4.125 -10.335 7 1HE MET 1 1HE MET 1 13.151 -3.775 -5.690 8 2HE MET 1 2HE MET 1 14.204 -2.771 -6.700 9 3HE MET 1 3HE MET 1 12.437 -2.569 -6.778 10 H ALA 2 HN ALA 2 12.105 -0.354 -9.601 11 HA ALA 2 HA ALA 2 12.450 -0.040 -6.742 12 1HB ALA 2 1HB ALA 2 11.660 2.277 -6.753 13 2HB ALA 2 2HB ALA 2 13.131 2.193 -7.722 14 3HB ALA 2 3HB ALA 2 11.538 2.271 -8.532 15 H LEU 3 HN LEU 3 10.269 0.358 -5.795 16 HA LEU 3 HA LEU 3 8.082 -0.839 -7.469 17 1HB LEU 3 2HB LEU 3 8.439 -0.904 -4.446 18 2HB LEU 3 3HB LEU 3 7.082 -1.567 -5.342 19 HG LEU 3 HG LEU 3 9.970 -2.499 -5.688 20 1HD1 LEU 3 1HD1 LEU 3 9.467 -4.402 -4.404 21 2HD1 LEU 3 2HD1 LEU 3 8.993 -3.014 -3.440 22 3HD1 LEU 3 3HD1 LEU 3 7.746 -3.993 -4.274 23 1HD2 LEU 3 1HD2 LEU 3 8.910 -4.473 -6.824 24 2HD2 LEU 3 2HD2 LEU 3 7.344 -3.627 -6.767 25 3HD2 LEU 3 3HD2 LEU 3 8.690 -2.965 -7.713 26 H VAL 4 HN VAL 4 7.484 1.007 -8.440 27 HA VAL 4 HA VAL 4 6.538 3.237 -6.729 28 HB VAL 4 HB VAL 4 8.255 3.429 -9.241 29 1HG1 VAL 4 1HG1 VAL 4 7.233 5.373 -9.639 30 2HG1 VAL 4 2HG1 VAL 4 6.353 5.348 -8.146 31 3HG1 VAL 4 3HG1 VAL 4 8.009 6.026 -8.174 32 1HG2 VAL 4 1HG2 VAL 4 9.557 2.931 -7.260 33 2HG2 VAL 4 2HG2 VAL 4 9.835 4.620 -7.715 34 3HG2 VAL 4 3HG2 VAL 4 8.771 4.211 -6.348 35 H LEU 5 HN LEU 5 4.913 1.195 -7.540 36 HA LEU 5 HA LEU 5 2.934 2.643 -8.911 37 1HB LEU 5 2HB LEU 5 2.671 1.026 -10.871 38 2HB LEU 5 3HB LEU 5 3.806 2.344 -10.997 39 HG LEU 5 HG LEU 5 4.980 -0.215 -9.993 40 1HD1 LEU 5 1HD1 LEU 5 4.946 -1.370 -12.107 41 2HD1 LEU 5 2HD1 LEU 5 3.286 -0.896 -11.771 42 3HD1 LEU 5 3HD1 LEU 5 4.227 0.037 -12.942 43 1HD2 LEU 5 1HD2 LEU 5 6.791 0.278 -11.575 44 2HD2 LEU 5 2HD2 LEU 5 5.863 1.658 -12.225 45 3HD2 LEU 5 3HD2 LEU 5 6.478 1.679 -10.578 46 H VAL 6 HN VAL 6 1.264 1.936 -7.628 47 HA VAL 6 HA VAL 6 1.019 -0.979 -7.168 48 HB VAL 6 HB VAL 6 1.976 -0.011 -5.216 49 1HG1 VAL 6 1HG1 VAL 6 1.506 2.298 -5.321 50 2HG1 VAL 6 2HG1 VAL 6 -0.239 2.037 -5.379 51 3HG1 VAL 6 3HG1 VAL 6 0.645 1.744 -3.893 52 1HG2 VAL 6 1HG2 VAL 6 -0.902 -0.541 -4.466 53 2HG2 VAL 6 2HG2 VAL 6 0.338 -1.795 -4.814 54 3HG2 VAL 6 3HG2 VAL 6 0.500 -0.649 -3.484 55 H LYS 7 HN LYS 7 -0.277 0.003 -9.281 56 HA LYS 7 HA LYS 7 -3.121 0.288 -8.335 57 1HB LYS 7 2HB LYS 7 -3.616 1.672 -10.247 58 2HB LYS 7 3HB LYS 7 -2.411 2.427 -9.209 59 1HG LYS 7 2HG LYS 7 -0.893 2.510 -10.856 60 2HG LYS 7 3HG LYS 7 -1.133 0.832 -11.339 61 1HD LYS 7 2HD LYS 7 -3.053 1.359 -12.686 62 2HD LYS 7 3HD LYS 7 -3.076 3.051 -12.109 63 1HE LYS 7 2HE LYS 7 -1.101 3.611 -13.166 64 2HE LYS 7 3HE LYS 7 -0.570 1.933 -13.348 65 1HZ LYS 7 1HZ LYS 7 -2.870 3.047 -14.861 66 2HZ LYS 7 2HZ LYS 7 -1.362 2.911 -15.450 67 3HZ LYS 7 3HZ LYS 7 -2.224 1.556 -15.019 68 H TYR 8 HN TYR 8 -1.516 -2.144 -9.029 69 HA TYR 8 HA TYR 8 -3.369 -3.164 -11.160 70 1HB TYR 8 2HB TYR 8 -0.636 -2.606 -11.474 71 2HB TYR 8 3HB TYR 8 -0.587 -4.284 -11.039 72 HD1 TYR 8 HD1 TYR 8 -2.097 -5.904 -12.498 73 HD2 TYR 8 HD2 TYR 8 -0.967 -1.891 -13.622 74 HE1 TYR 8 HE1 TYR 8 -2.764 -6.373 -14.835 75 HE2 TYR 8 HE2 TYR 8 -1.589 -2.385 -15.982 76 HH TYR 8 HH TYR 8 -3.554 -4.969 -16.852 77 H GLY 9 HN GLY 9 -3.645 -3.239 -8.308 78 1HA GLY 9 1HA GLY 9 -3.707 -4.545 -6.417 79 2HA GLY 9 2HA GLY 9 -3.693 -5.969 -7.406 80 H THR 10 HN THR 10 -1.787 -6.724 -8.117 81 HA THR 10 HA THR 10 -0.350 -6.848 -5.700 82 HB THR 10 HB THR 10 0.406 -9.040 -6.999 83 HG1 THR 10 HG1 THR 10 -1.379 -9.674 -8.319 84 1HG2 THR 10 1HG2 THR 10 -1.045 -8.796 -4.892 85 2HG2 THR 10 2HG2 THR 10 -2.441 -8.501 -5.937 86 3HG2 THR 10 3HG2 THR 10 -1.622 -10.071 -5.977 87 H ASP 11 HN ASP 11 0.787 -4.668 -6.940 88 HA ASP 11 HA ASP 11 3.312 -5.714 -8.100 89 1HB ASP 11 2HB ASP 11 1.442 -4.595 -9.403 90 2HB ASP 11 3HB ASP 11 1.849 -3.100 -8.561 91 H HIS 12 HN HIS 12 3.344 -5.258 -5.215 92 HA HIS 12 HA HIS 12 5.613 -3.580 -4.850 93 1HB HIS 12 2HB HIS 12 4.734 -1.601 -3.995 94 2HB HIS 12 3HB HIS 12 3.449 -1.940 -5.118 95 HD1 HIS 12 HD1 HIS 12 2.073 -4.229 -3.023 96 HD2 HIS 12 HD2 HIS 12 3.167 -0.210 -2.393 97 HE1 HIS 12 HE1 HIS 12 0.693 -3.418 -1.097 98 HA PRO 13 HA PRO 13 5.725 -5.905 -1.130 99 1HB PRO 13 2HB PRO 13 6.832 -4.265 0.790 100 2HB PRO 13 3HB PRO 13 7.706 -4.872 -0.633 101 1HG PRO 13 2HG PRO 13 6.739 -2.117 -0.121 102 2HG PRO 13 3HG PRO 13 8.096 -2.688 -1.129 103 1HD PRO 13 2HD PRO 13 5.404 -2.027 -1.896 104 2HD PRO 13 3HD PRO 13 6.721 -2.561 -2.958 105 H VAL 14 HN VAL 14 4.723 -6.334 1.095 106 HA VAL 14 HA VAL 14 3.513 -4.786 2.808 107 HB VAL 14 HB VAL 14 1.746 -4.933 0.453 108 1HG1 VAL 14 1HG1 VAL 14 0.419 -6.547 1.564 109 2HG1 VAL 14 2HG1 VAL 14 0.540 -5.683 3.119 110 3HG1 VAL 14 3HG1 VAL 14 -0.367 -4.977 1.771 111 1HG2 VAL 14 1HG2 VAL 14 0.999 -2.871 1.284 112 2HG2 VAL 14 2HG2 VAL 14 1.280 -3.312 2.981 113 3HG2 VAL 14 3HG2 VAL 14 2.633 -2.886 1.908 114 H GLU 15 HN GLU 15 3.159 -7.709 0.922 115 HA GLU 15 HA GLU 15 3.163 -9.301 3.482 116 1HB GLU 15 2HB GLU 15 1.110 -10.438 2.857 117 2HB GLU 15 3HB GLU 15 0.864 -8.783 2.532 118 1HG GLU 15 2HG GLU 15 0.158 -9.477 0.575 119 2HG GLU 15 3HG GLU 15 1.889 -9.476 0.236 120 H LYS 16 HN LYS 16 3.959 -9.170 0.162 121 HA LYS 16 HA LYS 16 5.589 -11.612 0.400 122 1HB LYS 16 2HB LYS 16 3.297 -11.398 -0.782 123 2HB LYS 16 3HB LYS 16 4.152 -10.565 -2.062 124 1HG LYS 16 2HG LYS 16 4.212 -12.784 -2.791 125 2HG LYS 16 3HG LYS 16 5.785 -12.646 -2.003 126 1HD LYS 16 2HD LYS 16 4.968 -13.726 0.025 127 2HD LYS 16 3HD LYS 16 3.302 -13.644 -0.530 128 1HE LYS 16 2HE LYS 16 5.494 -15.266 -1.855 129 2HE LYS 16 3HE LYS 16 4.310 -15.874 -0.677 130 1HZ LYS 16 1HZ LYS 16 3.091 -16.326 -2.519 131 2HZ LYS 16 2HZ LYS 16 2.686 -14.760 -2.460 132 3HZ LYS 16 3HZ LYS 16 3.881 -15.240 -3.478 133 H LEU 17 HN LEU 17 5.260 -8.845 -1.953 134 HA LEU 17 HA LEU 17 7.922 -9.032 -2.690 135 1HB LEU 17 2HB LEU 17 5.710 -7.327 -3.224 136 2HB LEU 17 3HB LEU 17 7.102 -6.252 -3.107 137 HG LEU 17 HG LEU 17 6.995 -8.795 -4.804 138 1HD1 LEU 17 1HD1 LEU 17 6.654 -5.880 -5.639 139 2HD1 LEU 17 2HD1 LEU 17 6.709 -7.293 -6.716 140 3HD1 LEU 17 3HD1 LEU 17 5.372 -7.118 -5.580 141 1HD2 LEU 17 1HD2 LEU 17 9.022 -7.898 -5.874 142 2HD2 LEU 17 2HD2 LEU 17 8.984 -6.486 -4.798 143 3HD2 LEU 17 3HD2 LEU 17 9.306 -8.078 -4.130 144 H LYS 18 HN LYS 18 6.587 -7.480 0.110 145 HA LYS 18 HA LYS 18 8.860 -5.931 0.916 146 1HB LYS 18 2HB LYS 18 7.737 -5.412 2.741 147 2HB LYS 18 3HB LYS 18 6.384 -6.235 2.029 148 1HG LYS 18 2HG LYS 18 8.303 -7.562 4.006 149 2HG LYS 18 3HG LYS 18 6.855 -6.693 4.465 150 1HD LYS 18 2HD LYS 18 5.388 -8.224 3.588 151 2HD LYS 18 3HD LYS 18 6.531 -8.868 2.416 152 1HE LYS 18 2HE LYS 18 5.888 -10.388 4.288 153 2HE LYS 18 3HE LYS 18 7.630 -10.197 3.970 154 1HZ LYS 18 1HZ LYS 18 6.070 -9.104 6.183 155 2HZ LYS 18 2HZ LYS 18 7.245 -10.195 6.329 156 3HZ LYS 18 3HZ LYS 18 7.660 -8.664 5.933 157 H ILE 19 HN ILE 19 8.206 -9.407 1.032 158 HA ILE 19 HA ILE 19 10.102 -9.908 3.105 159 HB ILE 19 HB ILE 19 7.885 -11.145 1.930 160 1HG1 ILE 19 2HG1 ILE 19 9.608 -12.970 3.559 161 2HG1 ILE 19 3HG1 ILE 19 8.989 -11.497 4.296 162 1HG2 ILE 19 1HG2 ILE 19 9.203 -12.133 0.051 163 2HG2 ILE 19 2HG2 ILE 19 10.080 -13.104 1.250 164 3HG2 ILE 19 3HG2 ILE 19 8.318 -13.273 1.051 165 1HD1 ILE 19 1HD1 ILE 19 7.277 -13.101 4.712 166 2HD1 ILE 19 2HD1 ILE 19 6.656 -12.179 3.321 167 3HD1 ILE 19 3HD1 ILE 19 7.366 -13.765 3.069 168 H ARG 20 HN ARG 20 10.055 -9.725 -0.375 169 HA ARG 20 HA ARG 20 12.591 -11.033 -0.869 170 1HB ARG 20 2HB ARG 20 10.743 -9.238 -2.518 171 2HB ARG 20 3HB ARG 20 12.264 -9.885 -3.114 172 1HG ARG 20 2HG ARG 20 11.359 -11.822 -3.588 173 2HG ARG 20 3HG ARG 20 10.848 -12.087 -1.919 174 1HD ARG 20 2HD ARG 20 8.660 -11.450 -2.292 175 2HD ARG 20 3HD ARG 20 9.092 -10.438 -3.699 176 HE ARG 20 HE ARG 20 8.794 -13.367 -3.536 177 1HH1 ARG 20 2HH2 ARG 20 9.256 -10.531 -5.700 178 2HH1 ARG 20 1HH2 ARG 20 8.779 -11.399 -7.093 179 1HH2 ARG 20 2HH1 ARG 20 8.318 -14.492 -5.436 180 2HH2 ARG 20 1HH1 ARG 20 8.346 -13.695 -6.975 181 H SER 21 HN SER 21 11.444 -7.619 -0.436 182 HA SER 21 HA SER 21 14.092 -6.843 0.534 183 1HB SER 21 2HB SER 21 12.965 -5.999 -2.143 184 2HB SER 21 3HB SER 21 14.208 -5.035 -1.298 185 HG SER 21 HG SER 21 14.670 -7.762 -1.569 186 H ALA 22 HN ALA 22 12.998 -6.255 2.410 187 HA ALA 22 HA ALA 22 12.328 -3.565 2.633 188 1HB ALA 22 1HB ALA 22 10.036 -3.636 3.471 189 2HB ALA 22 2HB ALA 22 10.011 -4.351 1.864 190 3HB ALA 22 3HB ALA 22 9.995 -5.423 3.310 191 H LYS 23 HN LYS 23 11.423 -3.186 5.003 192 HA LYS 23 HA LYS 23 12.079 -5.120 6.993 193 1HB LYS 23 2HB LYS 23 14.255 -3.511 6.142 194 2HB LYS 23 3HB LYS 23 13.661 -2.641 7.513 195 1HG LYS 23 2HG LYS 23 15.424 -4.139 8.214 196 2HG LYS 23 3HG LYS 23 13.905 -4.671 8.909 197 1HD LYS 23 2HD LYS 23 14.893 -6.692 8.131 198 2HD LYS 23 3HD LYS 23 13.744 -6.285 6.856 199 1HE LYS 23 2HE LYS 23 15.490 -6.703 5.539 200 2HE LYS 23 3HE LYS 23 15.764 -4.967 5.818 201 1HZ LYS 23 1HZ LYS 23 17.416 -5.588 7.480 202 2HZ LYS 23 2HZ LYS 23 17.061 -7.180 7.305 203 3HZ LYS 23 3HZ LYS 23 17.758 -6.356 6.073 204 H ALA 24 HN ALA 24 12.083 -3.626 9.185 205 HA ALA 24 HA ALA 24 9.324 -2.853 9.292 206 1HB ALA 24 1HB ALA 24 9.712 -2.262 11.596 207 2HB ALA 24 2HB ALA 24 10.662 -3.722 11.264 208 3HB ALA 24 3HB ALA 24 11.454 -2.124 11.345 209 H GLU 25 HN GLU 25 12.380 -0.997 8.739 210 HA GLU 25 HA GLU 25 10.989 1.531 9.245 211 1HB GLU 25 2HB GLU 25 13.534 0.774 9.795 212 2HB GLU 25 3HB GLU 25 13.764 1.468 8.184 213 1HG GLU 25 2HG GLU 25 12.502 3.530 9.038 214 2HG GLU 25 3HG GLU 25 12.538 2.774 10.631 215 H ASP 26 HN ASP 26 9.991 0.035 7.087 216 HA ASP 26 HA ASP 26 10.843 1.771 4.859 217 1HB ASP 26 2HB ASP 26 10.658 -0.883 5.040 218 2HB ASP 26 3HB ASP 26 9.086 -0.543 4.311 219 H LYS 27 HN LYS 27 8.954 2.175 3.199 220 HA LYS 27 HA LYS 27 6.573 3.211 4.676 221 1HB LYS 27 2HB LYS 27 8.127 4.653 2.491 222 2HB LYS 27 3HB LYS 27 6.642 5.192 3.294 223 1HG LYS 27 2HG LYS 27 7.907 5.493 5.415 224 2HG LYS 27 3HG LYS 27 9.399 4.956 4.601 225 1HD LYS 27 2HD LYS 27 9.179 6.782 2.957 226 2HD LYS 27 3HD LYS 27 7.662 7.297 3.706 227 1HE LYS 27 2HE LYS 27 8.843 7.947 5.763 228 2HE LYS 27 3HE LYS 27 10.367 7.315 5.109 229 1HZ LYS 27 1HZ LYS 27 10.462 8.967 3.548 230 2HZ LYS 27 2HZ LYS 27 8.881 9.430 3.677 231 3HZ LYS 27 3HZ LYS 27 9.931 9.819 4.847 232 H ILE 28 HN ILE 28 4.685 2.488 3.620 233 HA ILE 28 HA ILE 28 4.795 2.091 0.736 234 HB ILE 28 HB ILE 28 3.718 -0.134 2.430 235 1HG1 ILE 28 2HG1 ILE 28 6.598 -0.448 1.452 236 2HG1 ILE 28 3HG1 ILE 28 6.186 -0.059 3.132 237 1HG2 ILE 28 1HG2 ILE 28 3.989 -1.377 0.339 238 2HG2 ILE 28 2HG2 ILE 28 3.307 0.142 -0.074 239 3HG2 ILE 28 3HG2 ILE 28 5.035 -0.108 -0.344 240 1HD1 ILE 28 1HD1 ILE 28 5.275 -2.502 1.635 241 2HD1 ILE 28 2HD1 ILE 28 6.530 -2.418 2.886 242 3HD1 ILE 28 3HD1 ILE 28 4.829 -2.078 3.289 243 H VAL 29 HN VAL 29 2.647 1.802 -0.104 244 HA VAL 29 HA VAL 29 0.298 2.354 1.488 245 HB VAL 29 HB VAL 29 1.312 4.341 -0.578 246 1HG1 VAL 29 1HG1 VAL 29 -1.437 4.264 0.767 247 2HG1 VAL 29 2HG1 VAL 29 -0.800 5.629 -0.172 248 3HG1 VAL 29 3HG1 VAL 29 -1.101 4.104 -0.976 249 1HG2 VAL 29 1HG2 VAL 29 0.766 5.939 1.412 250 2HG2 VAL 29 2HG2 VAL 29 0.782 4.479 2.388 251 3HG2 VAL 29 3HG2 VAL 29 2.236 4.946 1.495 252 H LEU 30 HN LEU 30 -1.577 1.776 0.272 253 HA LEU 30 HA LEU 30 -1.130 0.463 -2.391 254 1HB LEU 30 2HB LEU 30 -3.750 -0.068 -1.187 255 2HB LEU 30 3HB LEU 30 -2.587 -1.159 -1.871 256 HG LEU 30 HG LEU 30 -2.694 -0.247 1.005 257 1HD1 LEU 30 1HD1 LEU 30 -3.310 -2.645 1.391 258 2HD1 LEU 30 2HD1 LEU 30 -4.543 -1.683 0.565 259 3HD1 LEU 30 3HD1 LEU 30 -3.549 -2.808 -0.357 260 1HD2 LEU 30 1HD2 LEU 30 -0.359 -0.875 0.342 261 2HD2 LEU 30 2HD2 LEU 30 -1.078 -2.003 1.497 262 3HD2 LEU 30 3HD2 LEU 30 -0.983 -2.416 -0.242 263 H ILE 31 HN ILE 31 -2.434 1.009 -4.232 264 HA ILE 31 HA ILE 31 -4.636 2.847 -3.629 265 HB ILE 31 HB ILE 31 -3.973 4.492 -5.013 266 1HG1 ILE 31 2HG1 ILE 31 -2.128 2.581 -6.446 267 2HG1 ILE 31 3HG1 ILE 31 -3.557 3.260 -7.046 268 1HG2 ILE 31 1HG2 ILE 31 -1.791 5.325 -4.461 269 2HG2 ILE 31 2HG2 ILE 31 -2.433 4.477 -3.077 270 3HG2 ILE 31 3HG2 ILE 31 -1.206 3.699 -4.079 271 1HD1 ILE 31 1HD1 ILE 31 -1.912 4.453 -8.142 272 2HD1 ILE 31 2HD1 ILE 31 -2.628 5.537 -6.875 273 3HD1 ILE 31 3HD1 ILE 31 -1.030 4.776 -6.635 274 H GLN 32 HN GLN 32 -5.988 3.117 -5.557 275 HA GLN 32 HA GLN 32 -7.377 2.552 -7.113 276 1HB GLN 32 2HB GLN 32 -4.913 1.593 -8.486 277 2HB GLN 32 3HB GLN 32 -6.475 1.713 -9.290 278 1HG GLN 32 2HG GLN 32 -5.226 4.092 -7.894 279 2HG GLN 32 3HG GLN 32 -4.763 3.623 -9.523 280 1HE2 GLN 32 1HE2 GLN 32 -6.662 5.729 -7.848 281 2HE2 GLN 32 2HE2 GLN 32 -8.007 5.947 -8.941 282 H ASN 33 HN ASN 33 -5.256 -0.164 -7.398 283 HA ASN 33 HA ASN 33 -7.457 -2.171 -7.005 284 1HB ASN 33 2HB ASN 33 -5.278 -2.484 -9.153 285 2HB ASN 33 3HB ASN 33 -6.259 -3.760 -8.534 286 1HD2 ASN 33 1HD2 ASN 33 -7.216 -0.395 -9.655 287 2HD2 ASN 33 2HD2 ASN 33 -8.402 -1.046 -10.744 288 H GLY 34 HN GLY 34 -4.147 -1.100 -6.605 289 1HA GLY 34 1HA GLY 34 -2.690 -3.057 -5.296 290 2HA GLY 34 2HA GLY 34 -2.775 -1.353 -4.964 291 H VAL 35 HN VAL 35 -5.540 -1.165 -4.178 292 HA VAL 35 HA VAL 35 -5.402 -1.807 -1.471 293 HB VAL 35 HB VAL 35 -7.798 -1.438 -1.473 294 1HG1 VAL 35 1HG1 VAL 35 -7.688 0.934 -2.059 295 2HG1 VAL 35 2HG1 VAL 35 -6.221 0.408 -1.210 296 3HG1 VAL 35 3HG1 VAL 35 -6.201 0.663 -2.966 297 1HG2 VAL 35 1HG2 VAL 35 -8.908 -0.574 -3.562 298 2HG2 VAL 35 2HG2 VAL 35 -7.493 -0.960 -4.495 299 3HG2 VAL 35 3HG2 VAL 35 -8.437 -2.280 -3.742 300 H PHE 36 HN PHE 36 -6.256 -4.125 -4.097 301 HA PHE 36 HA PHE 36 -7.315 -6.214 -2.657 302 1HB PHE 36 2HB PHE 36 -5.298 -6.002 -4.902 303 2HB PHE 36 3HB PHE 36 -5.821 -7.548 -4.299 304 HD1 PHE 36 HD1 PHE 36 -8.519 -4.993 -4.485 305 HD2 PHE 36 HD2 PHE 36 -6.325 -8.043 -6.626 306 HE1 PHE 36 HE1 PHE 36 -10.368 -5.206 -6.107 307 HE2 PHE 36 HE2 PHE 36 -8.129 -8.142 -8.312 308 HZ PHE 36 HZ PHE 36 -10.131 -6.718 -8.075 309 H TRP 37 HN TRP 37 -4.165 -4.819 -2.104 310 HA TRP 37 HA TRP 37 -2.969 -7.255 -1.058 311 1HB TRP 37 2HB TRP 37 -2.078 -4.398 -0.660 312 2HB TRP 37 3HB TRP 37 -1.272 -5.815 -0.040 313 HD1 TRP 37 HD1 TRP 37 -1.371 -3.676 -3.103 314 HE1 TRP 37 HE1 TRP 37 0.225 -4.520 -4.814 315 HE3 TRP 37 HE3 TRP 37 -0.215 -8.131 -0.954 316 HZ2 TRP 37 HZ2 TRP 37 2.414 -6.590 -4.830 317 HZ3 TRP 37 HZ3 TRP 37 1.699 -9.483 -1.826 318 HH2 TRP 37 HH2 TRP 37 3.136 -8.586 -3.625 319 H ALA 38 HN ALA 38 -5.215 -4.891 0.294 320 HA ALA 38 HA ALA 38 -4.486 -5.347 3.133 321 1HB ALA 38 1HB ALA 38 -5.135 -3.051 2.492 322 2HB ALA 38 2HB ALA 38 -6.690 -3.675 1.885 323 3HB ALA 38 3HB ALA 38 -6.258 -3.754 3.620 324 H LEU 39 HN LEU 39 -4.985 -7.643 1.839 325 HA LEU 39 HA LEU 39 -6.886 -9.108 3.294 326 1HB LEU 39 2HB LEU 39 -8.596 -9.350 1.466 327 2HB LEU 39 3HB LEU 39 -8.613 -7.890 2.423 328 HG LEU 39 HG LEU 39 -7.069 -7.143 0.182 329 1HD1 LEU 39 1HD1 LEU 39 -9.466 -8.770 -0.676 330 2HD1 LEU 39 2HD1 LEU 39 -8.526 -7.669 -1.727 331 3HD1 LEU 39 3HD1 LEU 39 -7.765 -9.100 -1.058 332 1HD2 LEU 39 1HD2 LEU 39 -8.645 -5.682 1.367 333 2HD2 LEU 39 2HD2 LEU 39 -8.960 -5.715 -0.383 334 3HD2 LEU 39 3HD2 LEU 39 -9.990 -6.628 0.727 335 H GLU 40 HN GLU 40 -4.458 -9.707 3.016 336 HA GLU 40 HA GLU 40 -4.217 -11.860 1.019 337 1HB GLU 40 2HB GLU 40 -2.059 -9.818 1.725 338 2HB GLU 40 3HB GLU 40 -1.786 -11.272 0.765 339 1HG GLU 40 2HG GLU 40 -3.780 -9.158 -0.087 340 2HG GLU 40 3HG GLU 40 -2.063 -9.002 -0.366 341 H GLU 41 HN GLU 41 -2.371 -13.351 1.879 342 HA GLU 41 HA GLU 41 -2.976 -13.664 4.707 343 1HB GLU 41 2HB GLU 41 -2.388 -16.017 4.358 344 2HB GLU 41 3HB GLU 41 -3.657 -15.456 3.278 345 1HG GLU 41 2HG GLU 41 -2.058 -15.250 1.417 346 2HG GLU 41 3HG GLU 41 -0.723 -15.697 2.466 347 H LEU 42 HN LEU 42 -1.180 -11.757 4.574 348 HA LEU 42 HA LEU 42 0.999 -12.804 6.209 349 1HB LEU 42 2HB LEU 42 1.169 -12.537 3.365 350 2HB LEU 42 3HB LEU 42 2.397 -11.434 4.094 351 HG LEU 42 HG LEU 42 2.356 -14.146 5.345 352 1HD1 LEU 42 1HD1 LEU 42 3.045 -15.499 3.485 353 2HD1 LEU 42 2HD1 LEU 42 1.488 -14.751 3.084 354 3HD1 LEU 42 3HD1 LEU 42 2.978 -14.103 2.373 355 1HD2 LEU 42 1HD2 LEU 42 4.636 -13.154 3.655 356 2HD2 LEU 42 2HD2 LEU 42 4.321 -12.434 5.270 357 3HD2 LEU 42 3HD2 LEU 42 4.662 -14.166 5.092 358 H GLU 43 HN GLU 43 2.809 -10.819 5.988 359 HA GLU 43 HA GLU 43 1.412 -8.398 6.901 360 1HB GLU 43 2HB GLU 43 2.554 -8.655 9.097 361 2HB GLU 43 3HB GLU 43 1.425 -9.956 8.769 362 1HG GLU 43 2HG GLU 43 3.518 -11.277 7.923 363 2HG GLU 43 3HG GLU 43 4.464 -10.040 8.708 364 H THR 44 HN THR 44 2.796 -6.926 7.400 365 HA THR 44 HA THR 44 5.675 -6.726 6.579 366 HB THR 44 HB THR 44 4.471 -5.757 4.806 367 HG1 THR 44 HG1 THR 44 5.075 -3.546 5.056 368 1HG2 THR 44 1HG2 THR 44 2.320 -5.287 6.256 369 2HG2 THR 44 2HG2 THR 44 3.128 -3.769 6.645 370 3HG2 THR 44 3HG2 THR 44 2.720 -4.250 4.949 371 HA PRO 45 HA PRO 45 5.767 -4.640 10.546 372 1HB PRO 45 2HB PRO 45 8.458 -4.332 10.761 373 2HB PRO 45 3HB PRO 45 7.652 -5.860 11.064 374 1HG PRO 45 2HG PRO 45 9.208 -5.025 8.651 375 2HG PRO 45 3HG PRO 45 9.111 -6.630 9.437 376 1HD PRO 45 2HD PRO 45 7.681 -5.725 7.217 377 2HD PRO 45 3HD PRO 45 7.234 -7.169 8.200 378 H ALA 46 HN ALA 46 6.285 -3.380 7.426 379 HA ALA 46 HA ALA 46 7.499 -0.839 8.163 380 1HB ALA 46 1HB ALA 46 6.051 -1.705 5.625 381 2HB ALA 46 2HB ALA 46 7.012 -0.257 5.805 382 3HB ALA 46 3HB ALA 46 7.814 -1.831 5.912 383 H LYS 47 HN LYS 47 6.083 1.339 7.265 384 HA LYS 47 HA LYS 47 3.539 1.200 8.701 385 1HB LYS 47 2HB LYS 47 3.599 3.502 8.601 386 2HB LYS 47 3HB LYS 47 5.235 3.042 9.078 387 1HG LYS 47 2HG LYS 47 5.839 3.191 6.650 388 2HG LYS 47 3HG LYS 47 4.258 3.880 6.333 389 1HD LYS 47 2HD LYS 47 6.737 4.959 7.603 390 2HD LYS 47 3HD LYS 47 5.693 5.580 6.298 391 1HE LYS 47 2HE LYS 47 3.986 6.203 7.902 392 2HE LYS 47 3HE LYS 47 4.847 5.327 9.182 393 1HZ LYS 47 1HZ LYS 47 5.159 7.749 9.319 394 2HZ LYS 47 2HZ LYS 47 6.608 6.995 9.039 395 3HZ LYS 47 3HZ LYS 47 5.847 7.768 7.820 396 H VAL 48 HN VAL 48 1.655 0.754 7.379 397 HA VAL 48 HA VAL 48 1.913 0.917 4.520 398 HB VAL 48 HB VAL 48 0.735 -1.265 4.740 399 1HG1 VAL 48 1HG1 VAL 48 2.781 -2.327 4.346 400 2HG1 VAL 48 2HG1 VAL 48 3.419 -0.714 4.486 401 3HG1 VAL 48 3HG1 VAL 48 3.487 -1.761 5.888 402 1HG2 VAL 48 1HG2 VAL 48 1.724 -1.393 7.585 403 2HG2 VAL 48 2HG2 VAL 48 0.045 -1.245 7.016 404 3HG2 VAL 48 3HG2 VAL 48 0.969 -2.706 6.655 405 H TYR 49 HN TYR 49 -0.083 1.250 3.654 406 HA TYR 49 HA TYR 49 -2.362 1.916 5.354 407 1HB TYR 49 2HB TYR 49 -0.727 3.904 3.778 408 2HB TYR 49 3HB TYR 49 -2.230 4.267 4.623 409 HD1 TYR 49 HD1 TYR 49 -2.152 3.948 7.241 410 HD2 TYR 49 HD2 TYR 49 1.405 4.397 4.815 411 HE1 TYR 49 HE1 TYR 49 -0.869 4.657 9.229 412 HE2 TYR 49 HE2 TYR 49 2.601 5.223 6.745 413 HH TYR 49 HH TYR 49 1.321 5.049 10.057 414 H ALA 50 HN ALA 50 -4.160 2.668 3.811 415 HA ALA 50 HA ALA 50 -3.702 1.928 0.934 416 1HB ALA 50 1HB ALA 50 -4.912 0.076 1.907 417 2HB ALA 50 2HB ALA 50 -5.991 1.155 2.777 418 3HB ALA 50 3HB ALA 50 -6.080 1.073 1.005 419 H ILE 51 HN ILE 51 -5.054 3.281 -0.537 420 HA ILE 51 HA ILE 51 -5.896 5.824 0.675 421 HB ILE 51 HB ILE 51 -5.606 4.720 -2.176 422 1HG1 ILE 51 2HG1 ILE 51 -3.581 5.469 -1.505 423 2HG1 ILE 51 3HG1 ILE 51 -4.332 6.708 -2.524 424 1HG2 ILE 51 1HG2 ILE 51 -6.591 6.747 -3.038 425 2HG2 ILE 51 2HG2 ILE 51 -7.776 6.064 -1.958 426 3HG2 ILE 51 3HG2 ILE 51 -6.812 7.439 -1.414 427 1HD1 ILE 51 1HD1 ILE 51 -3.151 7.830 -0.756 428 2HD1 ILE 51 2HD1 ILE 51 -4.876 7.939 -0.322 429 3HD1 ILE 51 3HD1 ILE 51 -3.823 6.754 0.484 430 H LYS 52 HN LYS 52 -7.590 5.962 1.692 431 HA LYS 52 HA LYS 52 -9.684 4.161 1.792 432 1HB LYS 52 2HB LYS 52 -9.242 6.042 3.385 433 2HB LYS 52 3HB LYS 52 -9.803 7.194 2.177 434 1HG LYS 52 2HG LYS 52 -11.972 6.842 2.730 435 2HG LYS 52 3HG LYS 52 -11.795 5.102 2.512 436 1HD LYS 52 2HD LYS 52 -12.473 5.287 4.698 437 2HD LYS 52 3HD LYS 52 -10.722 5.030 4.798 438 1HE LYS 52 2HE LYS 52 -10.307 7.336 5.253 439 2HE LYS 52 3HE LYS 52 -12.027 7.735 5.032 440 1HZ LYS 52 1HZ LYS 52 -11.250 7.408 7.424 441 2HZ LYS 52 2HZ LYS 52 -12.580 6.537 6.970 442 3HZ LYS 52 3HZ LYS 52 -11.187 5.814 7.121 443 H ASP 53 HN ASP 53 -9.580 7.120 -0.217 444 HA ASP 53 HA ASP 53 -12.205 6.750 -1.144 445 1HB ASP 53 2HB ASP 53 -9.883 8.350 -2.253 446 2HB ASP 53 3HB ASP 53 -11.450 8.283 -3.074 447 H ASP 54 HN ASP 54 -9.128 5.579 -2.858 448 HA ASP 54 HA ASP 54 -10.863 4.550 -4.915 449 1HB ASP 54 2HB ASP 54 -9.029 3.708 -5.950 450 2HB ASP 54 3HB ASP 54 -8.416 5.153 -5.135 451 H PHE 55 HN PHE 55 -9.946 3.238 -1.766 452 HA PHE 55 HA PHE 55 -10.591 0.505 -2.426 453 1HB PHE 55 2HB PHE 55 -9.324 1.398 -0.357 454 2HB PHE 55 3HB PHE 55 -10.900 1.844 0.285 455 HD1 PHE 55 HD1 PHE 55 -11.339 0.376 2.103 456 HD2 PHE 55 HD2 PHE 55 -9.858 -1.290 -1.568 457 HE1 PHE 55 HE1 PHE 55 -11.514 -1.897 3.029 458 HE2 PHE 55 HE2 PHE 55 -9.718 -3.517 -0.520 459 HZ PHE 55 HZ PHE 55 -10.557 -3.843 1.795 460 H LEU 56 HN LEU 56 -12.353 3.247 -1.133 461 HA LEU 56 HA LEU 56 -14.962 2.026 -0.890 462 1HB LEU 56 2HB LEU 56 -14.105 4.910 -1.383 463 2HB LEU 56 3HB LEU 56 -15.711 4.398 -0.898 464 HG LEU 56 HG LEU 56 -13.224 3.899 0.819 465 1HD1 LEU 56 1HD1 LEU 56 -14.034 5.868 2.130 466 2HD1 LEU 56 2HD1 LEU 56 -13.562 6.322 0.492 467 3HD1 LEU 56 3HD1 LEU 56 -15.282 6.165 0.891 468 1HD2 LEU 56 1HD2 LEU 56 -15.130 2.432 1.357 469 2HD2 LEU 56 2HD2 LEU 56 -14.900 3.626 2.640 470 3HD2 LEU 56 3HD2 LEU 56 -16.216 3.828 1.451 471 H ALA 57 HN ALA 57 -13.256 3.749 -3.516 472 HA ALA 57 HA ALA 57 -15.382 3.446 -5.389 473 1HB ALA 57 1HB ALA 57 -13.406 5.037 -5.630 474 2HB ALA 57 2HB ALA 57 -12.409 3.609 -6.038 475 3HB ALA 57 3HB ALA 57 -13.752 4.063 -7.084 476 H ARG 58 HN ARG 58 -13.348 1.078 -3.994 477 HA ARG 58 HA ARG 58 -14.005 -0.846 -6.212 478 1HB ARG 58 2HB ARG 58 -11.557 -0.302 -5.391 479 2HB ARG 58 3HB ARG 58 -11.904 -1.256 -4.043 480 1HG ARG 58 2HG ARG 58 -11.946 -3.271 -5.299 481 2HG ARG 58 3HG ARG 58 -12.483 -2.435 -6.751 482 1HD ARG 58 2HD ARG 58 -9.945 -1.360 -6.303 483 2HD ARG 58 3HD ARG 58 -9.764 -3.016 -5.768 484 HE ARG 58 HE ARG 58 -10.213 -3.801 -7.948 485 1HH1 ARG 58 2HH2 ARG 58 -10.149 -0.271 -7.902 486 2HH1 ARG 58 1HH2 ARG 58 -10.814 -0.079 -9.495 487 1HH2 ARG 58 2HH1 ARG 58 -10.856 -3.600 -10.136 488 2HH2 ARG 58 1HH1 ARG 58 -10.920 -2.046 -10.876 489 H GLY 59 HN GLY 59 -15.856 0.200 -4.153 490 1HA GLY 59 1HA GLY 59 -17.692 -0.672 -3.174 491 2HA GLY 59 2HA GLY 59 -17.222 -2.248 -3.814 492 H TYR 60 HN TYR 60 -14.755 -1.030 -1.662 493 HA TYR 60 HA TYR 60 -15.541 -3.076 0.304 494 1HB TYR 60 2HB TYR 60 -13.007 -1.484 -0.141 495 2HB TYR 60 3HB TYR 60 -13.275 -2.642 1.140 496 HD1 TYR 60 HD1 TYR 60 -12.351 -2.242 -2.366 497 HD2 TYR 60 HD2 TYR 60 -13.090 -5.021 0.805 498 HE1 TYR 60 HE1 TYR 60 -11.097 -4.025 -3.581 499 HE2 TYR 60 HE2 TYR 60 -12.017 -6.833 -0.478 500 HH TYR 60 HH TYR 60 -10.983 -7.417 -2.559 501 H SER 61 HN SER 61 -14.921 -2.314 2.630 502 HA SER 61 HA SER 61 -16.124 0.353 3.154 503 1HB SER 61 2HB SER 61 -17.211 -0.739 4.957 504 2HB SER 61 3HB SER 61 -17.357 -1.796 3.535 505 HG SER 61 HG SER 61 -16.677 -3.157 5.058 506 H GLU 62 HN GLU 62 -15.547 0.435 5.971 507 HA GLU 62 HA GLU 62 -12.648 0.850 5.839 508 1HB GLU 62 2HB GLU 62 -14.559 1.585 8.040 509 2HB GLU 62 3HB GLU 62 -12.830 1.874 8.011 510 1HG GLU 62 2HG GLU 62 -13.438 2.977 5.614 511 2HG GLU 62 3HG GLU 62 -15.004 3.161 6.393 512 H GLU 63 HN GLU 63 -14.785 -1.622 6.854 513 HA GLU 63 HA GLU 63 -12.769 -2.757 8.717 514 1HB GLU 63 2HB GLU 63 -15.729 -2.871 8.465 515 2HB GLU 63 3HB GLU 63 -14.852 -4.105 9.363 516 1HG GLU 63 2HG GLU 63 -13.805 -2.377 10.764 517 2HG GLU 63 3HG GLU 63 -14.584 -1.095 9.841 518 H ASP 64 HN ASP 64 -13.954 -3.056 5.543 519 HA ASP 64 HA ASP 64 -13.189 -5.861 5.191 520 1HB ASP 64 2HB ASP 64 -13.627 -3.561 3.255 521 2HB ASP 64 3HB ASP 64 -13.057 -5.167 2.794 522 H SER 65 HN SER 65 -11.384 -2.873 5.590 523 HA SER 65 HA SER 65 -9.146 -3.924 3.959 524 1HB SER 65 2HB SER 65 -9.689 -1.385 3.944 525 2HB SER 65 3HB SER 65 -9.166 -1.328 5.593 526 HG SER 65 HG SER 65 -7.711 -1.558 3.261 527 H LYS 66 HN LYS 66 -7.514 -5.064 5.062 528 HA LYS 66 HA LYS 66 -7.281 -4.661 8.006 529 1HB LYS 66 2HB LYS 66 -6.008 -6.641 8.074 530 2HB LYS 66 3HB LYS 66 -7.456 -6.907 7.111 531 1HG LYS 66 2HG LYS 66 -6.390 -7.498 5.281 532 2HG LYS 66 3HG LYS 66 -5.171 -6.206 5.414 533 1HD LYS 66 2HD LYS 66 -3.951 -7.489 7.057 534 2HD LYS 66 3HD LYS 66 -5.200 -8.747 7.073 535 1HE LYS 66 2HE LYS 66 -4.697 -9.437 4.833 536 2HE LYS 66 3HE LYS 66 -3.665 -8.035 4.518 537 1HZ LYS 66 1HZ LYS 66 -3.094 -10.050 6.622 538 2HZ LYS 66 2HZ LYS 66 -2.570 -10.171 5.123 539 3HZ LYS 66 3HZ LYS 66 -2.059 -8.888 6.041 540 H VAL 67 HN VAL 67 -6.490 -2.384 6.350 541 HA VAL 67 HA VAL 67 -3.917 -2.084 7.717 542 HB VAL 67 HB VAL 67 -2.657 -1.313 5.949 543 1HG1 VAL 67 1HG1 VAL 67 -2.777 -3.714 5.846 544 2HG1 VAL 67 2HG1 VAL 67 -4.166 -3.660 4.773 545 3HG1 VAL 67 3HG1 VAL 67 -2.587 -3.031 4.219 546 1HG2 VAL 67 1HG2 VAL 67 -3.392 -0.845 3.684 547 2HG2 VAL 67 2HG2 VAL 67 -5.079 -1.217 4.139 548 3HG2 VAL 67 3HG2 VAL 67 -4.225 0.168 4.854 549 HA PRO 68 HA PRO 68 -5.934 1.645 8.714 550 1HB PRO 68 2HB PRO 68 -3.794 3.438 8.837 551 2HB PRO 68 3HB PRO 68 -4.309 2.240 10.088 552 1HG PRO 68 2HG PRO 68 -1.864 2.153 8.538 553 2HG PRO 68 3HG PRO 68 -2.390 1.178 9.918 554 1HD PRO 68 2HD PRO 68 -2.585 0.526 7.036 555 2HD PRO 68 3HD PRO 68 -2.731 -0.512 8.477 556 H LEU 69 HN LEU 69 -7.270 2.519 7.471 557 HA LEU 69 HA LEU 69 -6.607 3.260 4.713 558 1HB LEU 69 2HB LEU 69 -9.169 3.532 6.356 559 2HB LEU 69 3HB LEU 69 -8.997 3.862 4.630 560 HG LEU 69 HG LEU 69 -8.248 1.116 5.586 561 1HD1 LEU 69 1HD1 LEU 69 -10.419 1.464 6.635 562 2HD1 LEU 69 2HD1 LEU 69 -11.059 2.184 5.159 563 3HD1 LEU 69 3HD1 LEU 69 -10.632 0.460 5.199 564 1HD2 LEU 69 1HD2 LEU 69 -8.760 0.526 3.360 565 2HD2 LEU 69 2HD2 LEU 69 -9.684 2.022 3.063 566 3HD2 LEU 69 3HD2 LEU 69 -7.923 2.067 3.202 567 H ILE 70 HN ILE 70 -5.688 5.025 4.278 568 HA ILE 70 HA ILE 70 -6.060 7.397 6.051 569 HB ILE 70 HB ILE 70 -3.922 8.082 5.515 570 1HG1 ILE 70 2HG1 ILE 70 -3.596 5.723 3.627 571 2HG1 ILE 70 3HG1 ILE 70 -3.784 7.409 3.156 572 1HG2 ILE 70 1HG2 ILE 70 -2.600 6.467 6.685 573 2HG2 ILE 70 2HG2 ILE 70 -4.234 6.428 7.334 574 3HG2 ILE 70 3HG2 ILE 70 -3.705 5.151 6.223 575 1HD1 ILE 70 1HD1 ILE 70 -1.438 6.648 3.017 576 2HD1 ILE 70 2HD1 ILE 70 -1.669 8.022 4.115 577 3HD1 ILE 70 3HD1 ILE 70 -1.411 6.418 4.774 578 H THR 71 HN THR 71 -5.713 9.535 4.784 579 HA THR 71 HA THR 71 -7.477 9.432 2.452 580 HB THR 71 HB THR 71 -6.921 11.957 2.472 581 HG1 THR 71 HG1 THR 71 -6.049 11.688 5.110 582 1HG2 THR 71 1HG2 THR 71 -8.132 10.814 5.006 583 2HG2 THR 71 2HG2 THR 71 -8.375 12.454 4.344 584 3HG2 THR 71 3HG2 THR 71 -8.980 11.049 3.465 585 H TYR 72 HN TYR 72 -6.645 10.741 0.459 586 HA TYR 72 HA TYR 72 -4.073 9.988 -0.512 587 1HB TYR 72 2HB TYR 72 -5.956 12.257 -1.211 588 2HB TYR 72 3HB TYR 72 -4.409 12.051 -2.001 589 HD1 TYR 72 HD1 TYR 72 -7.785 11.346 -2.439 590 HD2 TYR 72 HD2 TYR 72 -3.918 9.489 -2.784 591 HE1 TYR 72 HE1 TYR 72 -8.652 9.903 -4.268 592 HE2 TYR 72 HE2 TYR 72 -4.727 8.118 -4.651 593 HH TYR 72 HH TYR 72 -6.551 7.516 -5.944 594 H SER 73 HN SER 73 -4.931 12.801 1.608 595 HA SER 73 HA SER 73 -2.402 14.072 1.069 596 1HB SER 73 2HB SER 73 -3.030 15.438 3.068 597 2HB SER 73 3HB SER 73 -4.144 15.409 1.700 598 HG SER 73 HG SER 73 -4.646 13.683 3.875 599 H GLU 74 HN GLU 74 -3.506 11.892 3.603 600 HA GLU 74 HA GLU 74 -1.234 12.028 5.362 601 1HB GLU 74 2HB GLU 74 -3.389 10.022 4.712 602 2HB GLU 74 3HB GLU 74 -2.039 9.513 5.730 603 1HG GLU 74 2HG GLU 74 -3.513 12.021 6.468 604 2HG GLU 74 3HG GLU 74 -4.251 10.431 6.757 605 H PHE 75 HN PHE 75 -1.930 10.217 2.354 606 HA PHE 75 HA PHE 75 0.484 8.657 2.352 607 1HB PHE 75 2HB PHE 75 -1.270 7.916 0.968 608 2HB PHE 75 3HB PHE 75 -1.587 9.494 0.334 609 HD1 PHE 75 HD1 PHE 75 1.710 7.613 0.362 610 HD2 PHE 75 HD2 PHE 75 -1.490 9.353 -1.955 611 HE1 PHE 75 HE1 PHE 75 2.793 6.849 -1.707 612 HE2 PHE 75 HE2 PHE 75 -0.396 8.584 -4.031 613 HZ PHE 75 HZ PHE 75 1.743 7.304 -3.922 614 H ILE 76 HN ILE 76 -0.279 11.912 0.904 615 HA ILE 76 HA ILE 76 2.277 12.292 -0.226 616 HB ILE 76 HB ILE 76 0.475 14.449 0.933 617 1HG1 ILE 76 2HG1 ILE 76 -0.823 13.290 -0.679 618 2HG1 ILE 76 3HG1 ILE 76 -0.272 14.762 -1.423 619 1HG2 ILE 76 1HG2 ILE 76 2.688 15.353 0.562 620 2HG2 ILE 76 2HG2 ILE 76 2.798 14.609 -1.031 621 3HG2 ILE 76 3HG2 ILE 76 1.642 15.928 -0.730 622 1HD1 ILE 76 1HD1 ILE 76 0.808 11.938 -1.917 623 2HD1 ILE 76 2HD1 ILE 76 -0.095 12.951 -3.045 624 3HD1 ILE 76 3HD1 ILE 76 1.545 13.408 -2.597 625 H ASP 77 HN ASP 77 1.247 12.873 3.181 626 HA ASP 77 HA ASP 77 3.588 14.225 4.013 627 1HB ASP 77 2HB ASP 77 1.782 14.097 5.517 628 2HB ASP 77 3HB ASP 77 1.723 12.347 5.510 629 H LEU 78 HN LEU 78 3.086 10.835 3.289 630 HA LEU 78 HA LEU 78 5.369 9.905 4.714 631 1HB LEU 78 2HB LEU 78 3.960 8.590 2.367 632 2HB LEU 78 3HB LEU 78 5.015 7.770 3.492 633 HG LEU 78 HG LEU 78 2.357 9.023 4.224 634 1HD1 LEU 78 1HD1 LEU 78 1.494 6.790 4.336 635 2HD1 LEU 78 2HD1 LEU 78 2.193 7.088 2.742 636 3HD1 LEU 78 3HD1 LEU 78 3.090 6.099 3.916 637 1HD2 LEU 78 1HD2 LEU 78 4.220 7.289 5.870 638 2HD2 LEU 78 2HD2 LEU 78 3.811 9.001 6.180 639 3HD2 LEU 78 3HD2 LEU 78 2.568 7.770 6.347 640 H LEU 79 HN LEU 79 4.938 11.317 1.508 641 HA LEU 79 HA LEU 79 7.374 10.305 0.334 642 1HB LEU 79 2HB LEU 79 5.446 12.552 -0.404 643 2HB LEU 79 3HB LEU 79 6.896 12.194 -1.306 644 HG LEU 79 HG LEU 79 4.839 11.375 -2.289 645 1HD1 LEU 79 1HD1 LEU 79 7.063 10.345 -2.761 646 2HD1 LEU 79 2HD1 LEU 79 6.688 9.065 -1.580 647 3HD1 LEU 79 3HD1 LEU 79 5.679 9.277 -3.021 648 1HD2 LEU 79 1HD2 LEU 79 4.673 9.261 -0.135 649 2HD2 LEU 79 2HD2 LEU 79 3.609 10.668 -0.331 650 3HD2 LEU 79 3HD2 LEU 79 3.665 9.419 -1.578 651 H GLU 80 HN GLU 80 6.458 13.665 0.716 652 HA GLU 80 HA GLU 80 7.763 15.540 0.913 653 1HB GLU 80 2HB GLU 80 7.764 14.127 3.588 654 2HB GLU 80 3HB GLU 80 8.146 15.838 3.379 655 1HG GLU 80 2HG GLU 80 5.533 14.672 2.340 656 2HG GLU 80 3HG GLU 80 5.712 15.136 4.018 657 H GLY 81 HN GLY 81 9.376 14.378 -0.622 658 1HA GLY 81 1HA GLY 81 11.598 14.872 -1.163 659 2HA GLY 81 2HA GLY 81 12.048 14.861 0.538 660 H GLU 82 HN GLU 82 10.163 12.127 -0.635 661 HA GLU 82 HA GLU 82 12.580 10.475 -1.059 662 1HB GLU 82 2HB GLU 82 10.087 9.827 0.560 663 2HB GLU 82 3HB GLU 82 11.044 8.582 -0.226 664 1HG GLU 82 2HG GLU 82 13.014 9.974 1.118 665 2HG GLU 82 3HG GLU 82 11.633 10.125 2.213 666 H GLU 83 HN GLU 83 12.392 9.000 -2.722 667 HA GLU 83 HA GLU 83 9.913 8.845 -4.312 668 1HB GLU 83 2HB GLU 83 12.106 10.714 -4.949 669 2HB GLU 83 3HB GLU 83 11.672 9.690 -6.318 670 1HG GLU 83 2HG GLU 83 9.325 10.249 -6.111 671 2HG GLU 83 3HG GLU 83 9.645 11.257 -4.708 672 H LYS 84 HN LYS 84 10.690 6.774 -3.104 673 HA LYS 84 HA LYS 84 11.207 5.026 -5.403 674 1HB LYS 84 2HB LYS 84 13.129 3.824 -4.356 675 2HB LYS 84 3HB LYS 84 13.405 5.470 -4.890 676 1HG LYS 84 2HG LYS 84 14.640 5.257 -2.974 677 2HG LYS 84 3HG LYS 84 13.298 6.296 -2.588 678 1HD LYS 84 2HD LYS 84 13.239 3.357 -1.822 679 2HD LYS 84 3HD LYS 84 14.210 4.505 -0.900 680 1HE LYS 84 2HE LYS 84 12.181 5.924 -0.541 681 2HE LYS 84 3HE LYS 84 11.209 4.660 -1.317 682 1HZ LYS 84 1HZ LYS 84 12.707 4.449 1.215 683 2HZ LYS 84 2HZ LYS 84 11.100 4.362 1.008 684 3HZ LYS 84 3HZ LYS 84 12.038 3.136 0.452 685 H PHE 85 HN PHE 85 8.831 5.326 -3.787 686 HA PHE 85 HA PHE 85 8.434 2.513 -3.173 687 1HB PHE 85 2HB PHE 85 7.878 2.781 -0.876 688 2HB PHE 85 3HB PHE 85 9.484 3.440 -1.070 689 HD1 PHE 85 HD1 PHE 85 6.189 4.027 0.174 690 HD2 PHE 85 HD2 PHE 85 9.658 6.126 -1.306 691 HE1 PHE 85 HE1 PHE 85 5.336 6.122 1.147 692 HE2 PHE 85 HE2 PHE 85 8.774 8.219 -0.329 693 HZ PHE 85 HZ PHE 85 6.642 8.216 0.909 694 H ILE 86 HN ILE 86 7.191 4.170 -5.102 695 HA ILE 86 HA ILE 86 4.898 5.367 -3.685 696 HB ILE 86 HB ILE 86 5.503 6.137 -6.461 697 1HG1 ILE 86 2HG1 ILE 86 7.843 6.009 -5.578 698 2HG1 ILE 86 3HG1 ILE 86 7.327 7.594 -6.003 699 1HG2 ILE 86 1HG2 ILE 86 5.180 8.446 -5.351 700 2HG2 ILE 86 2HG2 ILE 86 3.788 7.376 -5.375 701 3HG2 ILE 86 3HG2 ILE 86 4.729 7.527 -3.894 702 1HD1 ILE 86 1HD1 ILE 86 6.945 6.968 -3.105 703 2HD1 ILE 86 2HD1 ILE 86 8.609 7.045 -3.679 704 3HD1 ILE 86 3HD1 ILE 86 7.577 8.423 -3.931 705 H GLY 87 HN GLY 87 2.985 5.813 -5.596 706 1HA GLY 87 1HA GLY 87 3.384 4.230 -7.758 707 2HA GLY 87 2HA GLY 87 1.844 3.695 -7.024 Start of MODEL 14 1 1H MET 1 HN MET 1 16.753 -0.650 -9.397 2 HA MET 1 HA MET 1 14.143 -1.557 -10.464 3 1HB MET 1 2HB MET 1 16.039 -2.737 -8.447 4 2HB MET 1 3HB MET 1 14.301 -2.870 -8.136 5 1HG MET 1 2HG MET 1 15.258 -4.817 -9.361 6 2HG MET 1 3HG MET 1 13.857 -4.048 -10.079 7 1HE MET 1 1HE MET 1 13.692 -4.547 -12.407 8 2HE MET 1 2HE MET 1 15.063 -4.899 -13.466 9 3HE MET 1 3HE MET 1 14.777 -5.903 -12.028 10 H ALA 2 HN ALA 2 12.339 -0.598 -9.710 11 HA ALA 2 HA ALA 2 12.141 0.401 -7.027 12 1HB ALA 2 1HB ALA 2 11.703 2.235 -9.444 13 2HB ALA 2 2HB ALA 2 11.276 2.620 -7.761 14 3HB ALA 2 3HB ALA 2 12.972 2.431 -8.215 15 H LEU 3 HN LEU 3 9.688 0.973 -6.670 16 HA LEU 3 HA LEU 3 7.908 -0.395 -8.574 17 1HB LEU 3 2HB LEU 3 8.089 -0.815 -5.563 18 2HB LEU 3 3HB LEU 3 6.697 -1.294 -6.530 19 HG LEU 3 HG LEU 3 9.456 -2.257 -7.380 20 1HD1 LEU 3 1HD1 LEU 3 7.799 -3.800 -5.397 21 2HD1 LEU 3 2HD1 LEU 3 9.338 -4.240 -6.137 22 3HD1 LEU 3 3HD1 LEU 3 9.273 -2.869 -5.019 23 1HD2 LEU 3 1HD2 LEU 3 7.574 -2.602 -8.939 24 2HD2 LEU 3 2HD2 LEU 3 8.187 -4.136 -8.323 25 3HD2 LEU 3 3HD2 LEU 3 6.671 -3.463 -7.686 26 H VAL 4 HN VAL 4 6.902 1.326 -9.286 27 HA VAL 4 HA VAL 4 5.749 3.378 -7.496 28 HB VAL 4 HB VAL 4 7.488 3.863 -9.946 29 1HG1 VAL 4 1HG1 VAL 4 6.663 6.366 -8.822 30 2HG1 VAL 4 2HG1 VAL 4 6.304 5.675 -10.406 31 3HG1 VAL 4 3HG1 VAL 4 5.192 5.383 -9.105 32 1HG2 VAL 4 1HG2 VAL 4 8.696 5.386 -8.309 33 2HG2 VAL 4 2HG2 VAL 4 7.729 4.664 -7.010 34 3HG2 VAL 4 3HG2 VAL 4 8.844 3.657 -7.974 35 H LEU 5 HN LEU 5 4.209 1.486 -8.003 36 HA LEU 5 HA LEU 5 2.124 2.343 -9.523 37 1HB LEU 5 2HB LEU 5 2.002 0.484 -11.228 38 2HB LEU 5 3HB LEU 5 2.986 1.867 -11.603 39 HG LEU 5 HG LEU 5 4.714 -0.157 -10.399 40 1HD1 LEU 5 1HD1 LEU 5 3.069 -1.794 -11.150 41 2HD1 LEU 5 2HD1 LEU 5 3.071 -1.087 -12.782 42 3HD1 LEU 5 3HD1 LEU 5 4.521 -1.901 -12.138 43 1HD2 LEU 5 1HD2 LEU 5 4.522 0.818 -13.284 44 2HD2 LEU 5 2HD2 LEU 5 5.393 1.666 -12.008 45 3HD2 LEU 5 3HD2 LEU 5 5.916 0.051 -12.498 46 H VAL 6 HN VAL 6 0.923 1.754 -7.747 47 HA VAL 6 HA VAL 6 0.802 -1.141 -7.111 48 HB VAL 6 HB VAL 6 1.884 -0.062 -5.350 49 1HG1 VAL 6 1HG1 VAL 6 1.123 2.321 -5.736 50 2HG1 VAL 6 2HG1 VAL 6 -0.425 1.876 -4.992 51 3HG1 VAL 6 3HG1 VAL 6 1.076 1.814 -4.063 52 1HG2 VAL 6 1HG2 VAL 6 0.306 -1.794 -4.702 53 2HG2 VAL 6 2HG2 VAL 6 0.546 -0.550 -3.458 54 3HG2 VAL 6 3HG2 VAL 6 -0.921 -0.545 -4.367 55 H LYS 7 HN LYS 7 -0.596 -0.307 -9.220 56 HA LYS 7 HA LYS 7 -3.393 -0.164 -8.119 57 1HB LYS 7 2HB LYS 7 -4.020 1.015 -10.206 58 2HB LYS 7 3HB LYS 7 -2.896 1.936 -9.227 59 1HG LYS 7 2HG LYS 7 -1.212 1.832 -10.779 60 2HG LYS 7 3HG LYS 7 -1.656 0.219 -11.349 61 1HD LYS 7 2HD LYS 7 -3.520 1.051 -12.622 62 2HD LYS 7 3HD LYS 7 -3.318 2.690 -11.942 63 1HE LYS 7 2HE LYS 7 -1.075 2.819 -12.946 64 2HE LYS 7 3HE LYS 7 -1.253 1.207 -13.635 65 1HZ LYS 7 1HZ LYS 7 -3.087 2.017 -14.961 66 2HZ LYS 7 2HZ LYS 7 -2.996 3.539 -14.283 67 3HZ LYS 7 3HZ LYS 7 -1.790 2.940 -15.226 68 H TYR 8 HN TYR 8 -1.677 -2.563 -8.745 69 HA TYR 8 HA TYR 8 -3.675 -3.854 -10.530 70 1HB TYR 8 2HB TYR 8 -1.232 -3.032 -11.469 71 2HB TYR 8 3HB TYR 8 -0.829 -4.640 -10.912 72 HD1 TYR 8 HD1 TYR 8 -2.031 -6.614 -11.993 73 HD2 TYR 8 HD2 TYR 8 -2.649 -2.537 -13.298 74 HE1 TYR 8 HE1 TYR 8 -3.050 -7.435 -14.074 75 HE2 TYR 8 HE2 TYR 8 -3.697 -3.359 -15.379 76 HH TYR 8 HH TYR 8 -4.120 -6.868 -16.046 77 H GLY 9 HN GLY 9 -3.476 -3.838 -7.691 78 1HA GLY 9 1HA GLY 9 -3.558 -5.293 -5.905 79 2HA GLY 9 2HA GLY 9 -3.541 -6.633 -7.059 80 H THR 10 HN THR 10 -1.726 -7.582 -7.506 81 HA THR 10 HA THR 10 0.019 -7.420 -5.146 82 HB THR 10 HB THR 10 0.890 -9.607 -6.048 83 HG1 THR 10 HG1 THR 10 0.273 -9.777 -8.066 84 1HG2 THR 10 1HG2 THR 10 -2.071 -9.239 -5.295 85 2HG2 THR 10 2HG2 THR 10 -1.236 -10.791 -5.278 86 3HG2 THR 10 3HG2 THR 10 -0.725 -9.496 -4.170 87 H ASP 11 HN ASP 11 0.941 -5.285 -6.324 88 HA ASP 11 HA ASP 11 3.248 -6.224 -7.979 89 1HB ASP 11 2HB ASP 11 0.950 -5.419 -8.969 90 2HB ASP 11 3HB ASP 11 1.463 -3.806 -8.496 91 H HIS 12 HN HIS 12 3.609 -5.403 -5.218 92 HA HIS 12 HA HIS 12 5.774 -3.670 -5.316 93 1HB HIS 12 2HB HIS 12 4.944 -1.562 -4.618 94 2HB HIS 12 3HB HIS 12 3.633 -2.016 -5.640 95 HD1 HIS 12 HD1 HIS 12 2.311 -4.102 -3.358 96 HD2 HIS 12 HD2 HIS 12 3.593 -0.125 -2.862 97 HE1 HIS 12 HE1 HIS 12 1.084 -3.202 -1.368 98 HA PRO 13 HA PRO 13 6.138 -5.599 -1.350 99 1HB PRO 13 2HB PRO 13 7.333 -3.805 0.365 100 2HB PRO 13 3HB PRO 13 8.166 -4.462 -1.074 101 1HG PRO 13 2HG PRO 13 6.713 -1.812 -0.762 102 2HG PRO 13 3HG PRO 13 8.356 -2.083 -1.381 103 1HD PRO 13 2HD PRO 13 6.154 -1.829 -2.975 104 2HD PRO 13 3HD PRO 13 7.530 -2.874 -3.438 105 H VAL 14 HN VAL 14 5.421 -5.632 0.904 106 HA VAL 14 HA VAL 14 4.351 -4.074 2.570 107 HB VAL 14 HB VAL 14 2.295 -4.521 0.417 108 1HG1 VAL 14 1HG1 VAL 14 1.531 -4.694 3.329 109 2HG1 VAL 14 2HG1 VAL 14 0.398 -4.207 2.032 110 3HG1 VAL 14 3HG1 VAL 14 1.157 -5.797 1.979 111 1HG2 VAL 14 1HG2 VAL 14 1.942 -2.287 0.673 112 2HG2 VAL 14 2HG2 VAL 14 1.920 -2.360 2.428 113 3HG2 VAL 14 3HG2 VAL 14 3.440 -2.265 1.554 114 H GLU 15 HN GLU 15 3.528 -6.992 0.755 115 HA GLU 15 HA GLU 15 3.990 -8.725 3.184 116 1HB GLU 15 2HB GLU 15 1.321 -8.169 1.813 117 2HB GLU 15 3HB GLU 15 1.620 -9.674 2.646 118 1HG GLU 15 2HG GLU 15 2.522 -7.753 4.475 119 2HG GLU 15 3HG GLU 15 1.178 -6.965 3.739 120 H LYS 16 HN LYS 16 5.464 -8.430 0.905 121 HA LYS 16 HA LYS 16 6.323 -10.928 0.711 122 1HB LYS 16 2HB LYS 16 4.286 -11.534 -0.739 123 2HB LYS 16 3HB LYS 16 4.890 -10.378 -1.920 124 1HG LYS 16 2HG LYS 16 5.583 -12.611 -2.557 125 2HG LYS 16 3HG LYS 16 7.007 -11.749 -2.061 126 1HD LYS 16 2HD LYS 16 7.472 -13.530 -0.784 127 2HD LYS 16 3HD LYS 16 6.238 -12.992 0.354 128 1HE LYS 16 2HE LYS 16 4.632 -14.489 -0.425 129 2HE LYS 16 3HE LYS 16 5.349 -14.565 -2.036 130 1HZ LYS 16 1HZ LYS 16 6.425 -15.931 0.366 131 2HZ LYS 16 2HZ LYS 16 5.770 -16.589 -0.977 132 3HZ LYS 16 3HZ LYS 16 7.223 -15.804 -1.053 133 H LEU 17 HN LEU 17 5.846 -8.510 -1.910 134 HA LEU 17 HA LEU 17 8.477 -8.582 -2.728 135 1HB LEU 17 2HB LEU 17 6.191 -6.914 -3.232 136 2HB LEU 17 3HB LEU 17 7.588 -5.849 -3.225 137 HG LEU 17 HG LEU 17 7.157 -6.639 -5.429 138 1HD1 LEU 17 1HD1 LEU 17 9.482 -6.285 -4.732 139 2HD1 LEU 17 2HD1 LEU 17 9.676 -7.971 -4.318 140 3HD1 LEU 17 3HD1 LEU 17 9.356 -7.506 -6.005 141 1HD2 LEU 17 1HD2 LEU 17 7.225 -9.459 -4.226 142 2HD2 LEU 17 2HD2 LEU 17 5.886 -8.610 -4.998 143 3HD2 LEU 17 3HD2 LEU 17 7.269 -9.103 -5.941 144 H LYS 18 HN LYS 18 7.180 -6.995 0.017 145 HA LYS 18 HA LYS 18 9.341 -5.331 0.728 146 1HB LYS 18 2HB LYS 18 7.964 -4.761 2.444 147 2HB LYS 18 3HB LYS 18 6.812 -5.812 1.712 148 1HG LYS 18 2HG LYS 18 8.664 -6.658 3.915 149 2HG LYS 18 3HG LYS 18 7.039 -6.084 4.152 150 1HD LYS 18 2HD LYS 18 6.038 -7.908 3.189 151 2HD LYS 18 3HD LYS 18 7.405 -8.418 2.240 152 1HE LYS 18 2HE LYS 18 6.622 -9.723 4.364 153 2HE LYS 18 3HE LYS 18 8.350 -9.621 3.946 154 1HZ LYS 18 1HZ LYS 18 8.607 -7.899 5.611 155 2HZ LYS 18 2HZ LYS 18 6.961 -8.023 5.965 156 3HZ LYS 18 3HZ LYS 18 7.949 -9.216 6.331 157 H ILE 19 HN ILE 19 9.125 -8.807 0.852 158 HA ILE 19 HA ILE 19 11.080 -8.991 3.001 159 HB ILE 19 HB ILE 19 8.906 -10.523 2.157 160 1HG1 ILE 19 2HG1 ILE 19 11.071 -11.860 3.781 161 2HG1 ILE 19 3HG1 ILE 19 10.165 -10.480 4.398 162 1HG2 ILE 19 1HG2 ILE 19 9.549 -12.695 1.369 163 2HG2 ILE 19 2HG2 ILE 19 10.078 -11.484 0.218 164 3HG2 ILE 19 3HG2 ILE 19 11.259 -12.228 1.316 165 1HD1 ILE 19 1HD1 ILE 19 8.961 -13.126 3.482 166 2HD1 ILE 19 2HD1 ILE 19 9.006 -12.473 5.129 167 3HD1 ILE 19 3HD1 ILE 19 8.005 -11.693 3.886 168 H ARG 20 HN ARG 20 10.799 -8.937 -0.428 169 HA ARG 20 HA ARG 20 13.505 -9.989 -0.929 170 1HB ARG 20 2HB ARG 20 11.523 -8.698 -2.871 171 2HB ARG 20 3HB ARG 20 13.024 -9.526 -3.280 172 1HG ARG 20 2HG ARG 20 11.841 -11.427 -3.477 173 2HG ARG 20 3HG ARG 20 11.651 -11.419 -1.717 174 1HD ARG 20 2HD ARG 20 9.437 -11.555 -2.207 175 2HD ARG 20 3HD ARG 20 9.693 -9.867 -2.251 176 HE ARG 20 HE ARG 20 9.573 -9.828 -4.635 177 1HH1 ARG 20 2HH2 ARG 20 9.583 -13.238 -3.579 178 2HH1 ARG 20 1HH2 ARG 20 8.596 -13.774 -4.883 179 1HH2 ARG 20 2HH1 ARG 20 8.707 -10.649 -6.648 180 2HH2 ARG 20 1HH1 ARG 20 8.415 -12.317 -6.796 181 H SER 21 HN SER 21 11.821 -6.833 -0.689 182 HA SER 21 HA SER 21 14.241 -5.732 0.309 183 1HB SER 21 2HB SER 21 14.469 -5.486 -2.273 184 2HB SER 21 3HB SER 21 13.181 -4.283 -2.148 185 HG SER 21 HG SER 21 15.085 -3.244 -1.974 186 H ALA 22 HN ALA 22 13.256 -5.034 2.067 187 HA ALA 22 HA ALA 22 12.177 -2.529 2.321 188 1HB ALA 22 1HB ALA 22 9.949 -2.882 3.348 189 2HB ALA 22 2HB ALA 22 9.895 -3.532 1.722 190 3HB ALA 22 3HB ALA 22 10.076 -4.614 3.143 191 H LYS 23 HN LYS 23 11.749 -2.092 4.746 192 HA LYS 23 HA LYS 23 12.271 -4.276 6.550 193 1HB LYS 23 2HB LYS 23 14.476 -2.622 5.798 194 2HB LYS 23 3HB LYS 23 13.856 -1.954 7.278 195 1HG LYS 23 2HG LYS 23 15.656 -3.348 7.830 196 2HG LYS 23 3HG LYS 23 14.201 -4.071 8.463 197 1HD LYS 23 2HD LYS 23 15.280 -4.899 5.739 198 2HD LYS 23 3HD LYS 23 16.006 -5.565 7.217 199 1HE LYS 23 2HE LYS 23 13.186 -5.538 7.514 200 2HE LYS 23 3HE LYS 23 13.510 -6.246 5.912 201 1HZ LYS 23 1HZ LYS 23 13.434 -7.987 7.542 202 2HZ LYS 23 2HZ LYS 23 14.971 -7.867 7.011 203 3HZ LYS 23 3HZ LYS 23 14.562 -7.244 8.479 204 H ALA 24 HN ALA 24 12.492 -2.966 8.914 205 HA ALA 24 HA ALA 24 9.794 -2.133 9.303 206 1HB ALA 24 1HB ALA 24 12.153 -1.380 11.075 207 2HB ALA 24 2HB ALA 24 10.449 -1.609 11.527 208 3HB ALA 24 3HB ALA 24 11.415 -3.030 11.081 209 H GLU 25 HN GLU 25 12.783 -0.259 8.607 210 HA GLU 25 HA GLU 25 11.135 2.153 8.677 211 1HB GLU 25 2HB GLU 25 13.833 1.862 9.461 212 2HB GLU 25 3HB GLU 25 13.897 2.678 7.900 213 1HG GLU 25 2HG GLU 25 12.274 3.550 10.293 214 2HG GLU 25 3HG GLU 25 13.785 4.270 9.762 215 H ASP 26 HN ASP 26 10.046 0.805 6.994 216 HA ASP 26 HA ASP 26 11.029 2.110 4.537 217 1HB ASP 26 2HB ASP 26 10.935 -0.547 4.656 218 2HB ASP 26 3HB ASP 26 9.246 -0.326 4.297 219 H LYS 27 HN LYS 27 9.021 2.562 2.976 220 HA LYS 27 HA LYS 27 6.738 3.504 4.593 221 1HB LYS 27 2HB LYS 27 8.256 5.177 2.549 222 2HB LYS 27 3HB LYS 27 6.886 5.652 3.524 223 1HG LYS 27 2HG LYS 27 8.537 6.698 4.716 224 2HG LYS 27 3HG LYS 27 8.566 5.144 5.543 225 1HD LYS 27 2HD LYS 27 10.433 4.460 3.886 226 2HD LYS 27 3HD LYS 27 10.449 6.123 3.343 227 1HE LYS 27 2HE LYS 27 10.798 5.391 6.279 228 2HE LYS 27 3HE LYS 27 12.147 5.293 5.148 229 1HZ LYS 27 1HZ LYS 27 11.938 7.603 4.683 230 2HZ LYS 27 2HZ LYS 27 10.659 7.789 5.709 231 3HZ LYS 27 3HZ LYS 27 12.118 7.337 6.308 232 H ILE 28 HN ILE 28 4.814 2.804 3.481 233 HA ILE 28 HA ILE 28 4.973 2.507 0.586 234 HB ILE 28 HB ILE 28 4.051 0.131 2.200 235 1HG1 ILE 28 2HG1 ILE 28 6.897 0.110 1.081 236 2HG1 ILE 28 3HG1 ILE 28 6.572 0.476 2.779 237 1HG2 ILE 28 1HG2 ILE 28 5.120 0.589 -0.645 238 2HG2 ILE 28 2HG2 ILE 28 4.650 -0.980 -0.026 239 3HG2 ILE 28 3HG2 ILE 28 3.431 0.239 -0.170 240 1HD1 ILE 28 1HD1 ILE 28 7.086 -1.839 2.591 241 2HD1 ILE 28 2HD1 ILE 28 5.381 -1.630 3.066 242 3HD1 ILE 28 3HD1 ILE 28 5.793 -2.082 1.403 243 H VAL 29 HN VAL 29 2.816 2.006 -0.321 244 HA VAL 29 HA VAL 29 0.504 2.466 1.313 245 HB VAL 29 HB VAL 29 1.376 4.514 -0.769 246 1HG1 VAL 29 1HG1 VAL 29 -0.850 5.599 -0.557 247 2HG1 VAL 29 2HG1 VAL 29 -0.963 4.050 -1.353 248 3HG1 VAL 29 3HG1 VAL 29 -1.452 4.205 0.356 249 1HG2 VAL 29 1HG2 VAL 29 0.507 5.987 1.249 250 2HG2 VAL 29 2HG2 VAL 29 0.652 4.510 2.174 251 3HG2 VAL 29 3HG2 VAL 29 2.088 5.175 1.377 252 H LEU 30 HN LEU 30 -1.495 1.845 0.171 253 HA LEU 30 HA LEU 30 -1.125 0.400 -2.421 254 1HB LEU 30 2HB LEU 30 -3.521 -0.322 -0.865 255 2HB LEU 30 3HB LEU 30 -2.379 -1.392 -1.622 256 HG LEU 30 HG LEU 30 -2.073 -0.239 1.176 257 1HD1 LEU 30 1HD1 LEU 30 -2.939 -3.002 0.193 258 2HD1 LEU 30 2HD1 LEU 30 -2.681 -2.529 1.887 259 3HD1 LEU 30 3HD1 LEU 30 -3.986 -1.807 0.936 260 1HD2 LEU 30 1HD2 LEU 30 -0.586 -2.463 -0.291 261 2HD2 LEU 30 2HD2 LEU 30 0.102 -0.881 0.129 262 3HD2 LEU 30 3HD2 LEU 30 -0.366 -2.003 1.414 263 H ILE 31 HN ILE 31 -2.459 0.883 -4.099 264 HA ILE 31 HA ILE 31 -4.784 2.583 -3.471 265 HB ILE 31 HB ILE 31 -4.360 4.085 -5.092 266 1HG1 ILE 31 2HG1 ILE 31 -2.113 2.418 -6.280 267 2HG1 ILE 31 3HG1 ILE 31 -3.701 2.472 -6.912 268 1HG2 ILE 31 1HG2 ILE 31 -1.487 3.732 -4.216 269 2HG2 ILE 31 2HG2 ILE 31 -2.372 5.222 -4.587 270 3HG2 ILE 31 3HG2 ILE 31 -2.755 4.309 -3.130 271 1HD1 ILE 31 1HD1 ILE 31 -1.765 4.747 -6.850 272 2HD1 ILE 31 2HD1 ILE 31 -2.517 3.959 -8.246 273 3HD1 ILE 31 3HD1 ILE 31 -3.510 4.970 -7.139 274 H GLN 32 HN GLN 32 -6.030 2.756 -5.730 275 HA GLN 32 HA GLN 32 -7.623 1.636 -6.793 276 1HB GLN 32 2HB GLN 32 -5.146 0.866 -8.250 277 2HB GLN 32 3HB GLN 32 -6.755 0.671 -8.918 278 1HG GLN 32 2HG GLN 32 -5.738 3.362 -8.007 279 2HG GLN 32 3HG GLN 32 -5.465 2.726 -9.612 280 1HE2 GLN 32 1HE2 GLN 32 -7.908 4.001 -7.473 281 2HE2 GLN 32 2HE2 GLN 32 -9.298 3.661 -8.495 282 H ASN 33 HN ASN 33 -5.754 -0.906 -7.970 283 HA ASN 33 HA ASN 33 -7.350 -2.948 -6.569 284 1HB ASN 33 2HB ASN 33 -5.249 -3.424 -8.752 285 2HB ASN 33 3HB ASN 33 -6.406 -4.529 -8.101 286 1HD2 ASN 33 1HD2 ASN 33 -6.192 -1.689 -10.321 287 2HD2 ASN 33 2HD2 ASN 33 -7.865 -1.839 -10.782 288 H GLY 34 HN GLY 34 -4.153 -1.543 -6.284 289 1HA GLY 34 1HA GLY 34 -2.498 -3.503 -5.104 290 2HA GLY 34 2HA GLY 34 -2.534 -1.798 -4.795 291 H VAL 35 HN VAL 35 -5.386 -1.829 -3.884 292 HA VAL 35 HA VAL 35 -5.117 -2.166 -1.144 293 HB VAL 35 HB VAL 35 -7.518 -2.108 -1.122 294 1HG1 VAL 35 1HG1 VAL 35 -6.444 -0.236 -3.240 295 2HG1 VAL 35 2HG1 VAL 35 -7.895 -0.007 -2.275 296 3HG1 VAL 35 3HG1 VAL 35 -6.316 -0.026 -1.475 297 1HG2 VAL 35 1HG2 VAL 35 -7.408 -2.711 -4.091 298 2HG2 VAL 35 2HG2 VAL 35 -8.240 -3.618 -2.823 299 3HG2 VAL 35 3HG2 VAL 35 -8.823 -2.022 -3.304 300 H PHE 36 HN PHE 36 -5.557 -4.750 -3.556 301 HA PHE 36 HA PHE 36 -6.557 -6.814 -2.005 302 1HB PHE 36 2HB PHE 36 -4.555 -6.705 -4.288 303 2HB PHE 36 3HB PHE 36 -5.033 -8.217 -3.578 304 HD1 PHE 36 HD1 PHE 36 -5.674 -6.386 -6.402 305 HD2 PHE 36 HD2 PHE 36 -7.819 -8.320 -3.209 306 HE1 PHE 36 HE1 PHE 36 -7.756 -6.333 -7.759 307 HE2 PHE 36 HE2 PHE 36 -9.840 -8.302 -4.563 308 HZ PHE 36 HZ PHE 36 -9.841 -7.263 -6.844 309 H TRP 37 HN TRP 37 -3.393 -5.308 -1.646 310 HA TRP 37 HA TRP 37 -2.217 -7.597 -0.383 311 1HB TRP 37 2HB TRP 37 -1.384 -4.715 -0.021 312 2HB TRP 37 3HB TRP 37 -0.548 -6.118 0.632 313 HD1 TRP 37 HD1 TRP 37 -0.942 -4.165 -2.579 314 HE1 TRP 37 HE1 TRP 37 0.514 -5.114 -4.371 315 HE3 TRP 37 HE3 TRP 37 0.634 -8.427 -0.206 316 HZ2 TRP 37 HZ2 TRP 37 2.750 -7.111 -4.488 317 HZ3 TRP 37 HZ3 TRP 37 2.478 -9.765 -1.126 318 HH2 TRP 37 HH2 TRP 37 3.637 -9.045 -3.242 319 H ALA 38 HN ALA 38 -4.591 -5.319 0.828 320 HA ALA 38 HA ALA 38 -3.910 -5.685 3.709 321 1HB ALA 38 1HB ALA 38 -5.652 -4.119 4.115 322 2HB ALA 38 2HB ALA 38 -4.756 -3.481 2.731 323 3HB ALA 38 3HB ALA 38 -6.319 -4.347 2.500 324 H LEU 39 HN LEU 39 -4.417 -8.086 2.318 325 HA LEU 39 HA LEU 39 -6.242 -9.397 4.076 326 1HB LEU 39 2HB LEU 39 -7.994 -9.898 2.308 327 2HB LEU 39 3HB LEU 39 -7.958 -8.346 3.086 328 HG LEU 39 HG LEU 39 -6.655 -7.548 0.901 329 1HD1 LEU 39 1HD1 LEU 39 -8.311 -9.858 -0.176 330 2HD1 LEU 39 2HD1 LEU 39 -7.412 -8.611 -1.095 331 3HD1 LEU 39 3HD1 LEU 39 -6.524 -9.781 -0.143 332 1HD2 LEU 39 1HD2 LEU 39 -9.619 -7.994 1.145 333 2HD2 LEU 39 2HD2 LEU 39 -8.691 -6.621 1.768 334 3HD2 LEU 39 3HD2 LEU 39 -8.818 -6.861 0.013 335 H GLU 40 HN GLU 40 -3.617 -9.668 3.316 336 HA GLU 40 HA GLU 40 -3.344 -12.115 1.683 337 1HB GLU 40 2HB GLU 40 -1.536 -9.782 2.446 338 2HB GLU 40 3HB GLU 40 -0.866 -11.236 1.727 339 1HG GLU 40 2HG GLU 40 -3.106 -9.634 0.513 340 2HG GLU 40 3HG GLU 40 -1.378 -9.324 0.229 341 H GLU 41 HN GLU 41 -1.058 -13.111 2.516 342 HA GLU 41 HA GLU 41 -1.647 -13.977 5.269 343 1HB GLU 41 2HB GLU 41 -0.872 -16.187 4.447 344 2HB GLU 41 3HB GLU 41 -2.293 -15.614 3.574 345 1HG GLU 41 2HG GLU 41 -1.067 -15.110 1.610 346 2HG GLU 41 3HG GLU 41 0.479 -15.037 2.447 347 H LEU 42 HN LEU 42 0.045 -11.904 5.149 348 HA LEU 42 HA LEU 42 2.680 -13.064 5.835 349 1HB LEU 42 2HB LEU 42 1.924 -12.081 3.304 350 2HB LEU 42 3HB LEU 42 2.908 -10.783 4.022 351 HG LEU 42 HG LEU 42 4.310 -12.221 2.649 352 1HD1 LEU 42 1HD1 LEU 42 5.387 -11.305 4.611 353 2HD1 LEU 42 2HD1 LEU 42 4.964 -12.751 5.546 354 3HD1 LEU 42 3HD1 LEU 42 6.055 -12.877 4.131 355 1HD2 LEU 42 1HD2 LEU 42 2.930 -14.269 2.756 356 2HD2 LEU 42 2HD2 LEU 42 4.667 -14.552 2.948 357 3HD2 LEU 42 3HD2 LEU 42 3.590 -14.589 4.367 358 H GLU 43 HN GLU 43 3.939 -10.412 5.611 359 HA GLU 43 HA GLU 43 2.715 -8.924 7.813 360 1HB GLU 43 2HB GLU 43 4.881 -9.082 9.093 361 2HB GLU 43 3HB GLU 43 3.937 -10.562 9.064 362 1HG GLU 43 2HG GLU 43 5.556 -11.755 8.011 363 2HG GLU 43 3HG GLU 43 5.905 -10.481 6.854 364 H THR 44 HN THR 44 3.650 -6.979 8.047 365 HA THR 44 HA THR 44 5.989 -6.038 6.458 366 HB THR 44 HB THR 44 4.072 -4.895 5.477 367 HG1 THR 44 HG1 THR 44 4.734 -2.765 6.659 368 1HG2 THR 44 1HG2 THR 44 2.496 -3.554 6.745 369 2HG2 THR 44 2HG2 THR 44 2.507 -5.124 7.524 370 3HG2 THR 44 3HG2 THR 44 3.411 -3.786 8.233 371 HA PRO 45 HA PRO 45 6.676 -4.327 10.566 372 1HB PRO 45 2HB PRO 45 9.318 -3.944 10.399 373 2HB PRO 45 3HB PRO 45 8.634 -5.530 10.712 374 1HG PRO 45 2HG PRO 45 9.917 -4.476 8.217 375 2HG PRO 45 3HG PRO 45 9.767 -6.160 8.797 376 1HD PRO 45 2HD PRO 45 8.113 -4.720 6.923 377 2HD PRO 45 3HD PRO 45 7.939 -6.421 7.462 378 H ALA 46 HN ALA 46 6.957 -3.062 7.396 379 HA ALA 46 HA ALA 46 7.774 -0.322 8.018 380 1HB ALA 46 1HB ALA 46 7.332 -0.010 5.618 381 2HB ALA 46 2HB ALA 46 8.207 -1.529 5.817 382 3HB ALA 46 3HB ALA 46 6.485 -1.523 5.509 383 H LYS 47 HN LYS 47 6.162 1.523 7.159 384 HA LYS 47 HA LYS 47 3.582 1.070 8.464 385 1HB LYS 47 2HB LYS 47 3.221 3.431 7.696 386 2HB LYS 47 3HB LYS 47 4.442 3.190 8.946 387 1HG LYS 47 2HG LYS 47 6.218 3.613 7.487 388 2HG LYS 47 3HG LYS 47 5.270 3.228 6.066 389 1HD LYS 47 2HD LYS 47 5.732 5.616 6.107 390 2HD LYS 47 3HD LYS 47 4.027 5.221 6.247 391 1HE LYS 47 2HE LYS 47 4.196 6.891 7.880 392 2HE LYS 47 3HE LYS 47 4.472 5.453 8.870 393 1HZ LYS 47 1HZ LYS 47 6.923 5.938 8.455 394 2HZ LYS 47 2HZ LYS 47 6.386 7.455 7.915 395 3HZ LYS 47 3HZ LYS 47 6.101 6.965 9.420 396 H VAL 48 HN VAL 48 1.625 0.755 7.264 397 HA VAL 48 HA VAL 48 1.859 0.597 4.348 398 HB VAL 48 HB VAL 48 1.286 -1.616 6.362 399 1HG1 VAL 48 1HG1 VAL 48 -0.650 -1.696 4.984 400 2HG1 VAL 48 2HG1 VAL 48 0.279 -1.442 3.509 401 3HG1 VAL 48 3HG1 VAL 48 0.422 -2.971 4.430 402 1HG2 VAL 48 1HG2 VAL 48 3.562 -1.537 5.603 403 2HG2 VAL 48 2HG2 VAL 48 2.809 -2.829 4.654 404 3HG2 VAL 48 3HG2 VAL 48 3.099 -1.229 3.937 405 H TYR 49 HN TYR 49 0.377 1.958 3.767 406 HA TYR 49 HA TYR 49 -2.149 2.148 5.353 407 1HB TYR 49 2HB TYR 49 -0.508 4.307 3.979 408 2HB TYR 49 3HB TYR 49 -2.093 4.497 4.669 409 HD1 TYR 49 HD1 TYR 49 -2.410 4.088 7.174 410 HD2 TYR 49 HD2 TYR 49 1.506 4.674 5.434 411 HE1 TYR 49 HE1 TYR 49 -1.523 4.751 9.393 412 HE2 TYR 49 HE2 TYR 49 2.275 5.585 7.580 413 HH TYR 49 HH TYR 49 0.797 4.990 10.533 414 H ALA 50 HN ALA 50 -4.050 2.310 4.021 415 HA ALA 50 HA ALA 50 -3.556 1.766 1.082 416 1HB ALA 50 1HB ALA 50 -5.773 0.747 2.853 417 2HB ALA 50 2HB ALA 50 -5.441 0.349 1.138 418 3HB ALA 50 3HB ALA 50 -4.327 -0.167 2.416 419 H ILE 51 HN ILE 51 -4.975 2.834 -0.364 420 HA ILE 51 HA ILE 51 -6.208 5.268 0.693 421 HB ILE 51 HB ILE 51 -6.001 4.132 -2.161 422 1HG1 ILE 51 2HG1 ILE 51 -3.885 4.861 -1.408 423 2HG1 ILE 51 3HG1 ILE 51 -4.563 6.016 -2.569 424 1HG2 ILE 51 1HG2 ILE 51 -7.043 6.913 -1.402 425 2HG2 ILE 51 2HG2 ILE 51 -6.979 6.122 -2.996 426 3HG2 ILE 51 3HG2 ILE 51 -8.092 5.565 -1.788 427 1HD1 ILE 51 1HD1 ILE 51 -3.406 7.236 -0.870 428 2HD1 ILE 51 2HD1 ILE 51 -5.130 7.486 -0.554 429 3HD1 ILE 51 3HD1 ILE 51 -4.204 6.345 0.440 430 H LYS 52 HN LYS 52 -7.884 5.282 1.699 431 HA LYS 52 HA LYS 52 -9.838 3.336 1.879 432 1HB LYS 52 2HB LYS 52 -9.402 5.248 3.437 433 2HB LYS 52 3HB LYS 52 -10.189 6.358 2.316 434 1HG LYS 52 2HG LYS 52 -12.308 5.214 2.580 435 2HG LYS 52 3HG LYS 52 -11.543 3.781 3.258 436 1HD LYS 52 2HD LYS 52 -12.422 4.611 5.141 437 2HD LYS 52 3HD LYS 52 -10.850 5.412 5.240 438 1HE LYS 52 2HE LYS 52 -11.795 7.472 4.323 439 2HE LYS 52 3HE LYS 52 -13.334 6.650 3.979 440 1HZ LYS 52 1HZ LYS 52 -12.258 7.332 6.625 441 2HZ LYS 52 2HZ LYS 52 -13.723 7.739 5.954 442 3HZ LYS 52 3HZ LYS 52 -13.447 6.208 6.439 443 H ASP 53 HN ASP 53 -10.123 6.345 -0.053 444 HA ASP 53 HA ASP 53 -12.586 5.839 -1.269 445 1HB ASP 53 2HB ASP 53 -10.114 7.429 -1.909 446 2HB ASP 53 3HB ASP 53 -11.067 7.007 -3.314 447 H ASP 54 HN ASP 54 -9.350 4.851 -2.554 448 HA ASP 54 HA ASP 54 -10.447 3.691 -4.878 449 1HB ASP 54 2HB ASP 54 -7.798 3.478 -3.440 450 2HB ASP 54 3HB ASP 54 -8.169 2.423 -4.781 451 H PHE 55 HN PHE 55 -9.815 2.306 -1.686 452 HA PHE 55 HA PHE 55 -10.252 -0.457 -2.325 453 1HB PHE 55 2HB PHE 55 -9.129 0.528 -0.321 454 2HB PHE 55 3HB PHE 55 -10.664 1.111 0.263 455 HD1 PHE 55 HD1 PHE 55 -9.558 -2.251 -1.069 456 HD2 PHE 55 HD2 PHE 55 -11.326 -0.059 2.191 457 HE1 PHE 55 HE1 PHE 55 -9.481 -4.271 0.302 458 HE2 PHE 55 HE2 PHE 55 -11.395 -2.144 3.506 459 HZ PHE 55 HZ PHE 55 -10.444 -4.253 2.590 460 H LEU 56 HN LEU 56 -12.316 2.141 -1.073 461 HA LEU 56 HA LEU 56 -14.758 0.636 -0.856 462 1HB LEU 56 2HB LEU 56 -14.133 3.588 -1.282 463 2HB LEU 56 3HB LEU 56 -15.729 3.014 -0.915 464 HG LEU 56 HG LEU 56 -13.296 2.564 0.890 465 1HD1 LEU 56 1HD1 LEU 56 -15.588 4.580 1.021 466 2HD1 LEU 56 2HD1 LEU 56 -14.401 4.304 2.326 467 3HD1 LEU 56 3HD1 LEU 56 -13.875 4.939 0.751 468 1HD2 LEU 56 1HD2 LEU 56 -14.987 1.995 2.631 469 2HD2 LEU 56 2HD2 LEU 56 -16.260 2.061 1.397 470 3HD2 LEU 56 3HD2 LEU 56 -14.971 0.850 1.292 471 H ALA 57 HN ALA 57 -13.198 2.466 -3.475 472 HA ALA 57 HA ALA 57 -15.349 2.037 -5.326 473 1HB ALA 57 1HB ALA 57 -13.810 3.954 -5.532 474 2HB ALA 57 2HB ALA 57 -12.461 2.849 -5.858 475 3HB ALA 57 3HB ALA 57 -13.814 2.962 -7.001 476 H ARG 58 HN ARG 58 -13.056 -0.098 -4.015 477 HA ARG 58 HA ARG 58 -13.230 -1.935 -6.416 478 1HB ARG 58 2HB ARG 58 -11.030 -1.104 -4.751 479 2HB ARG 58 3HB ARG 58 -11.328 -2.726 -4.303 480 1HG ARG 58 2HG ARG 58 -11.076 -2.079 -7.247 481 2HG ARG 58 3HG ARG 58 -9.663 -1.977 -6.223 482 1HD ARG 58 2HD ARG 58 -9.542 -4.152 -7.055 483 2HD ARG 58 3HD ARG 58 -10.108 -4.331 -5.414 484 HE ARG 58 HE ARG 58 -12.087 -5.203 -6.183 485 1HH1 ARG 58 2HH2 ARG 58 -10.325 -3.768 -8.960 486 2HH1 ARG 58 1HH2 ARG 58 -11.441 -4.316 -10.139 487 1HH2 ARG 58 2HH1 ARG 58 -13.578 -5.897 -7.759 488 2HH2 ARG 58 1HH1 ARG 58 -13.357 -5.515 -9.448 489 H GLY 59 HN GLY 59 -15.322 -1.316 -4.395 490 1HA GLY 59 1HA GLY 59 -17.126 -2.572 -3.855 491 2HA GLY 59 2HA GLY 59 -16.203 -4.055 -4.097 492 H TYR 60 HN TYR 60 -14.344 -2.268 -1.848 493 HA TYR 60 HA TYR 60 -15.236 -4.139 0.217 494 1HB TYR 60 2HB TYR 60 -12.902 -2.206 0.029 495 2HB TYR 60 3HB TYR 60 -13.181 -3.317 1.350 496 HD1 TYR 60 HD1 TYR 60 -12.129 -3.070 -2.153 497 HD2 TYR 60 HD2 TYR 60 -12.654 -5.669 1.237 498 HE1 TYR 60 HE1 TYR 60 -10.803 -4.807 -3.290 499 HE2 TYR 60 HE2 TYR 60 -11.474 -7.465 0.048 500 HH TYR 60 HH TYR 60 -10.622 -8.151 -2.130 501 H SER 61 HN SER 61 -14.618 -2.856 2.499 502 HA SER 61 HA SER 61 -16.232 -0.438 2.692 503 1HB SER 61 2HB SER 61 -17.611 -1.375 4.374 504 2HB SER 61 3HB SER 61 -17.654 -2.475 2.982 505 HG SER 61 HG SER 61 -16.265 -3.892 4.118 506 H GLU 62 HN GLU 62 -15.919 0.389 5.098 507 HA GLU 62 HA GLU 62 -13.139 0.807 5.279 508 1HB GLU 62 2HB GLU 62 -15.177 1.380 7.442 509 2HB GLU 62 3HB GLU 62 -13.556 2.056 7.315 510 1HG GLU 62 2HG GLU 62 -14.295 3.039 5.059 511 2HG GLU 62 3HG GLU 62 -15.936 2.614 5.520 512 H GLU 63 HN GLU 63 -14.955 -1.794 6.478 513 HA GLU 63 HA GLU 63 -13.138 -2.223 8.748 514 1HB GLU 63 2HB GLU 63 -15.801 -1.979 8.698 515 2HB GLU 63 3HB GLU 63 -15.712 -3.727 8.460 516 1HG GLU 63 2HG GLU 63 -14.660 -4.079 10.524 517 2HG GLU 63 3HG GLU 63 -14.008 -2.442 10.618 518 H ASP 64 HN ASP 64 -13.368 -3.195 5.650 519 HA ASP 64 HA ASP 64 -12.881 -6.078 5.986 520 1HB ASP 64 2HB ASP 64 -13.333 -4.151 3.691 521 2HB ASP 64 3HB ASP 64 -12.452 -5.637 3.373 522 H SER 65 HN SER 65 -10.928 -3.184 5.684 523 HA SER 65 HA SER 65 -8.719 -4.585 4.364 524 1HB SER 65 2HB SER 65 -9.492 -1.821 4.751 525 2HB SER 65 3HB SER 65 -7.943 -2.017 5.518 526 HG SER 65 HG SER 65 -7.985 -1.458 3.211 527 H LYS 66 HN LYS 66 -7.203 -5.724 5.591 528 HA LYS 66 HA LYS 66 -7.102 -5.272 8.500 529 1HB LYS 66 2HB LYS 66 -5.570 -7.095 8.584 530 2HB LYS 66 3HB LYS 66 -6.932 -7.496 7.537 531 1HG LYS 66 2HG LYS 66 -5.768 -7.754 5.709 532 2HG LYS 66 3HG LYS 66 -4.504 -6.548 6.108 533 1HD LYS 66 2HD LYS 66 -3.513 -8.151 7.654 534 2HD LYS 66 3HD LYS 66 -4.874 -9.271 7.412 535 1HE LYS 66 2HE LYS 66 -3.376 -10.254 6.006 536 2HE LYS 66 3HE LYS 66 -4.134 -9.176 4.829 537 1HZ LYS 66 1HZ LYS 66 -1.686 -9.176 4.828 538 2HZ LYS 66 2HZ LYS 66 -2.274 -7.653 5.144 539 3HZ LYS 66 3HZ LYS 66 -1.630 -8.625 6.299 540 H VAL 67 HN VAL 67 -6.449 -2.850 7.150 541 HA VAL 67 HA VAL 67 -3.873 -2.246 8.319 542 HB VAL 67 HB VAL 67 -2.720 -1.462 6.393 543 1HG1 VAL 67 1HG1 VAL 67 -3.756 -4.183 5.631 544 2HG1 VAL 67 2HG1 VAL 67 -2.294 -3.379 5.030 545 3HG1 VAL 67 3HG1 VAL 67 -2.437 -3.780 6.753 546 1HG2 VAL 67 1HG2 VAL 67 -4.395 -0.356 5.147 547 2HG2 VAL 67 2HG2 VAL 67 -3.536 -1.492 4.115 548 3HG2 VAL 67 3HG2 VAL 67 -5.184 -1.885 4.710 549 HA PRO 68 HA PRO 68 -5.994 1.584 8.762 550 1HB PRO 68 2HB PRO 68 -4.014 3.477 8.703 551 2HB PRO 68 3HB PRO 68 -4.312 2.335 10.058 552 1HG PRO 68 2HG PRO 68 -2.273 2.041 7.846 553 2HG PRO 68 3HG PRO 68 -2.057 1.781 9.613 554 1HD PRO 68 2HD PRO 68 -2.464 -0.218 7.897 555 2HD PRO 68 3HD PRO 68 -3.180 -0.252 9.498 556 H LEU 69 HN LEU 69 -7.339 2.269 7.479 557 HA LEU 69 HA LEU 69 -6.875 2.896 4.660 558 1HB LEU 69 2HB LEU 69 -9.275 3.236 6.493 559 2HB LEU 69 3HB LEU 69 -9.301 3.457 4.754 560 HG LEU 69 HG LEU 69 -8.817 0.821 6.196 561 1HD1 LEU 69 1HD1 LEU 69 -11.171 1.849 4.554 562 2HD1 LEU 69 2HD1 LEU 69 -11.003 0.247 5.308 563 3HD1 LEU 69 3HD1 LEU 69 -11.142 1.686 6.326 564 1HD2 LEU 69 1HD2 LEU 69 -9.223 0.048 3.757 565 2HD2 LEU 69 2HD2 LEU 69 -8.791 1.682 3.287 566 3HD2 LEU 69 3HD2 LEU 69 -7.623 0.684 4.183 567 H ILE 70 HN ILE 70 -6.052 4.679 4.112 568 HA ILE 70 HA ILE 70 -6.487 7.173 5.679 569 HB ILE 70 HB ILE 70 -4.341 7.829 5.252 570 1HG1 ILE 70 2HG1 ILE 70 -3.808 5.486 3.383 571 2HG1 ILE 70 3HG1 ILE 70 -4.208 7.117 2.824 572 1HG2 ILE 70 1HG2 ILE 70 -4.016 4.852 5.780 573 2HG2 ILE 70 2HG2 ILE 70 -3.037 6.198 6.383 574 3HG2 ILE 70 3HG2 ILE 70 -4.681 5.962 6.966 575 1HD1 ILE 70 1HD1 ILE 70 -2.273 8.073 3.716 576 2HD1 ILE 70 2HD1 ILE 70 -1.787 6.640 4.582 577 3HD1 ILE 70 3HD1 ILE 70 -1.768 6.641 2.806 578 H THR 71 HN THR 71 -6.072 9.234 4.235 579 HA THR 71 HA THR 71 -7.798 8.973 1.833 580 HB THR 71 HB THR 71 -7.544 11.437 1.723 581 HG1 THR 71 HG1 THR 71 -6.493 11.601 4.279 582 1HG2 THR 71 1HG2 THR 71 -9.396 10.447 2.986 583 2HG2 THR 71 2HG2 THR 71 -8.435 10.509 4.475 584 3HG2 THR 71 3HG2 THR 71 -8.903 12.010 3.643 585 H TYR 72 HN TYR 72 -6.943 10.149 -0.180 586 HA TYR 72 HA TYR 72 -4.318 9.556 -1.049 587 1HB TYR 72 2HB TYR 72 -6.174 11.874 -1.765 588 2HB TYR 72 3HB TYR 72 -4.718 11.454 -2.646 589 HD1 TYR 72 HD1 TYR 72 -8.012 11.411 -3.151 590 HD2 TYR 72 HD2 TYR 72 -4.737 8.616 -3.043 591 HE1 TYR 72 HE1 TYR 72 -9.127 10.049 -4.894 592 HE2 TYR 72 HE2 TYR 72 -5.809 7.263 -4.752 593 HH TYR 72 HH TYR 72 -8.383 6.932 -5.742 594 H SER 73 HN SER 73 -5.496 12.522 0.664 595 HA SER 73 HA SER 73 -2.996 13.837 0.331 596 1HB SER 73 2HB SER 73 -3.833 15.451 1.873 597 2HB SER 73 3HB SER 73 -5.090 14.938 0.734 598 HG SER 73 HG SER 73 -5.571 13.372 2.715 599 H GLU 74 HN GLU 74 -4.115 11.623 2.819 600 HA GLU 74 HA GLU 74 -1.957 12.021 4.711 601 1HB GLU 74 2HB GLU 74 -4.053 9.893 4.163 602 2HB GLU 74 3HB GLU 74 -2.789 9.624 5.354 603 1HG GLU 74 2HG GLU 74 -4.222 12.229 5.629 604 2HG GLU 74 3HG GLU 74 -5.203 10.775 5.889 605 H PHE 75 HN PHE 75 -2.404 10.215 1.696 606 HA PHE 75 HA PHE 75 0.004 8.598 2.020 607 1HB PHE 75 2HB PHE 75 -1.542 7.584 0.612 608 2HB PHE 75 3HB PHE 75 -2.096 9.058 -0.075 609 HD1 PHE 75 HD1 PHE 75 1.358 7.500 0.060 610 HD2 PHE 75 HD2 PHE 75 -1.802 9.166 -2.372 611 HE1 PHE 75 HE1 PHE 75 2.625 6.928 -1.971 612 HE2 PHE 75 HE2 PHE 75 -0.455 8.752 -4.382 613 HZ PHE 75 HZ PHE 75 1.746 7.566 -4.190 614 H ILE 76 HN ILE 76 -0.889 11.627 0.205 615 HA ILE 76 HA ILE 76 1.641 12.002 -0.913 616 HB ILE 76 HB ILE 76 -0.190 14.236 0.058 617 1HG1 ILE 76 2HG1 ILE 76 -1.499 13.015 -1.487 618 2HG1 ILE 76 3HG1 ILE 76 -0.871 14.389 -2.355 619 1HG2 ILE 76 1HG2 ILE 76 1.035 15.632 -1.568 620 2HG2 ILE 76 2HG2 ILE 76 2.176 14.956 -0.411 621 3HG2 ILE 76 3HG2 ILE 76 2.077 14.261 -2.014 622 1HD1 ILE 76 1HD1 ILE 76 0.824 12.918 -3.455 623 2HD1 ILE 76 2HD1 ILE 76 0.137 11.517 -2.591 624 3HD1 ILE 76 3HD1 ILE 76 -0.841 12.406 -3.765 625 H ASP 77 HN ASP 77 0.601 12.851 2.414 626 HA ASP 77 HA ASP 77 2.830 14.298 3.286 627 1HB ASP 77 2HB ASP 77 0.933 13.974 4.606 628 2HB ASP 77 3HB ASP 77 1.101 12.233 4.689 629 H LEU 78 HN LEU 78 2.559 10.837 2.732 630 HA LEU 78 HA LEU 78 4.952 10.128 4.153 631 1HB LEU 78 2HB LEU 78 3.390 8.559 2.070 632 2HB LEU 78 3HB LEU 78 4.566 7.887 3.168 633 HG LEU 78 HG LEU 78 1.950 9.180 4.027 634 1HD1 LEU 78 1HD1 LEU 78 1.203 6.931 4.539 635 2HD1 LEU 78 2HD1 LEU 78 1.614 7.113 2.835 636 3HD1 LEU 78 3HD1 LEU 78 2.737 6.252 3.910 637 1HD2 LEU 78 1HD2 LEU 78 4.088 7.755 5.650 638 2HD2 LEU 78 2HD2 LEU 78 3.539 9.438 5.814 639 3HD2 LEU 78 3HD2 LEU 78 2.444 8.131 6.245 640 H LEU 79 HN LEU 79 4.272 11.408 1.032 641 HA LEU 79 HA LEU 79 6.745 10.559 -0.299 642 1HB LEU 79 2HB LEU 79 4.771 12.617 -1.251 643 2HB LEU 79 3HB LEU 79 5.932 11.703 -2.187 644 HG LEU 79 HG LEU 79 3.439 10.542 -0.871 645 1HD1 LEU 79 1HD1 LEU 79 2.607 10.405 -3.139 646 2HD1 LEU 79 2HD1 LEU 79 3.091 12.072 -2.759 647 3HD1 LEU 79 3HD1 LEU 79 4.141 11.067 -3.778 648 1HD2 LEU 79 1HD2 LEU 79 4.123 8.549 -2.347 649 2HD2 LEU 79 2HD2 LEU 79 5.730 9.311 -2.421 650 3HD2 LEU 79 3HD2 LEU 79 5.053 8.809 -0.866 651 H GLU 80 HN GLU 80 5.655 13.110 1.716 652 HA GLU 80 HA GLU 80 7.130 15.206 0.549 653 1HB GLU 80 2HB GLU 80 6.169 15.018 3.407 654 2HB GLU 80 3HB GLU 80 6.730 16.497 2.618 655 1HG GLU 80 2HG GLU 80 4.458 14.780 1.586 656 2HG GLU 80 3HG GLU 80 4.210 16.136 2.696 657 H GLY 81 HN GLY 81 9.152 13.960 0.178 658 1HA GLY 81 1HA GLY 81 11.535 14.426 1.055 659 2HA GLY 81 2HA GLY 81 10.966 13.633 2.519 660 H GLU 82 HN GLU 82 9.415 12.021 -0.160 661 HA GLU 82 HA GLU 82 11.511 10.034 -0.456 662 1HB GLU 82 2HB GLU 82 8.838 9.461 0.921 663 2HB GLU 82 3HB GLU 82 9.878 8.228 0.269 664 1HG GLU 82 2HG GLU 82 10.817 10.101 2.471 665 2HG GLU 82 3HG GLU 82 9.989 8.589 2.772 666 H GLU 83 HN GLU 83 10.738 8.475 -2.119 667 HA GLU 83 HA GLU 83 8.140 8.777 -3.229 668 1HB GLU 83 2HB GLU 83 8.942 9.456 -5.595 669 2HB GLU 83 3HB GLU 83 8.661 10.707 -4.415 670 1HG GLU 83 2HG GLU 83 10.910 11.146 -4.060 671 2HG GLU 83 3HG GLU 83 11.420 9.535 -4.600 672 H LYS 84 HN LYS 84 9.177 6.539 -2.255 673 HA LYS 84 HA LYS 84 10.132 4.977 -4.624 674 1HB LYS 84 2HB LYS 84 11.420 5.486 -2.037 675 2HB LYS 84 3HB LYS 84 11.023 3.803 -2.120 676 1HG LYS 84 2HG LYS 84 12.913 3.544 -3.271 677 2HG LYS 84 3HG LYS 84 12.046 4.190 -4.660 678 1HD LYS 84 2HD LYS 84 13.791 5.740 -2.693 679 2HD LYS 84 3HD LYS 84 14.217 5.313 -4.360 680 1HE LYS 84 2HE LYS 84 12.420 6.761 -5.237 681 2HE LYS 84 3HE LYS 84 11.855 7.064 -3.593 682 1HZ LYS 84 1HZ LYS 84 13.163 8.908 -4.291 683 2HZ LYS 84 2HZ LYS 84 13.966 8.143 -3.112 684 3HZ LYS 84 3HZ LYS 84 14.406 7.989 -4.723 685 H PHE 85 HN PHE 85 7.397 5.355 -3.942 686 HA PHE 85 HA PHE 85 6.534 2.665 -4.157 687 1HB PHE 85 2HB PHE 85 5.304 2.524 -1.916 688 2HB PHE 85 3HB PHE 85 7.016 2.461 -1.729 689 HD1 PHE 85 HD1 PHE 85 8.286 4.459 -0.763 690 HD2 PHE 85 HD2 PHE 85 3.981 4.443 -1.043 691 HE1 PHE 85 HE1 PHE 85 8.181 6.530 0.581 692 HE2 PHE 85 HE2 PHE 85 3.899 6.470 0.372 693 HZ PHE 85 HZ PHE 85 6.001 7.528 1.167 694 H ILE 86 HN ILE 86 6.064 4.862 -5.628 695 HA ILE 86 HA ILE 86 3.450 5.958 -4.863 696 HB ILE 86 HB ILE 86 4.599 6.534 -7.508 697 1HG1 ILE 86 2HG1 ILE 86 6.737 6.548 -6.306 698 2HG1 ILE 86 3HG1 ILE 86 6.259 8.155 -6.701 699 1HG2 ILE 86 1HG2 ILE 86 3.957 8.840 -6.857 700 2HG2 ILE 86 2HG2 ILE 86 2.630 7.702 -6.588 701 3HG2 ILE 86 3HG2 ILE 86 3.590 8.244 -5.221 702 1HD1 ILE 86 1HD1 ILE 86 6.335 8.802 -4.526 703 2HD1 ILE 86 2HD1 ILE 86 5.282 7.466 -4.010 704 3HD1 ILE 86 3HD1 ILE 86 6.995 7.185 -4.166 705 H GLY 87 HN GLY 87 1.912 6.122 -7.169 706 1HA GLY 87 1HA GLY 87 2.215 4.253 -9.093 707 2HA GLY 87 2HA GLY 87 1.195 3.480 -7.887 Start of MODEL 15 1 1H MET 1 HN MET 1 16.426 0.032 -7.553 2 HA MET 1 HA MET 1 14.290 -0.964 -9.339 3 1HB MET 1 2HB MET 1 15.472 -2.141 -6.854 4 2HB MET 1 3HB MET 1 13.717 -2.088 -6.908 5 1HG MET 1 2HG MET 1 14.232 -4.160 -7.820 6 2HG MET 1 3HG MET 1 13.754 -3.149 -9.166 7 1HE MET 1 1HE MET 1 17.419 -3.158 -7.403 8 2HE MET 1 2HE MET 1 16.715 -4.783 -7.205 9 3HE MET 1 3HE MET 1 18.101 -4.525 -8.289 10 H ALA 2 HN ALA 2 12.417 0.157 -9.251 11 HA ALA 2 HA ALA 2 11.581 1.318 -6.715 12 1HB ALA 2 1HB ALA 2 10.990 3.464 -7.776 13 2HB ALA 2 2HB ALA 2 12.743 3.205 -7.831 14 3HB ALA 2 3HB ALA 2 11.762 2.948 -9.290 15 H LEU 3 HN LEU 3 9.395 1.605 -6.706 16 HA LEU 3 HA LEU 3 7.594 0.569 -8.743 17 1HB LEU 3 2HB LEU 3 7.898 -0.495 -5.893 18 2HB LEU 3 3HB LEU 3 6.452 -0.752 -6.870 19 HG LEU 3 HG LEU 3 9.235 -1.651 -7.760 20 1HD1 LEU 3 1HD1 LEU 3 7.077 -3.531 -6.864 21 2HD1 LEU 3 2HD1 LEU 3 8.780 -3.850 -7.192 22 3HD1 LEU 3 3HD1 LEU 3 8.344 -2.911 -5.754 23 1HD2 LEU 3 1HD2 LEU 3 7.996 -3.033 -9.411 24 2HD2 LEU 3 2HD2 LEU 3 6.463 -2.289 -8.873 25 3HD2 LEU 3 3HD2 LEU 3 7.710 -1.318 -9.678 26 H VAL 4 HN VAL 4 6.723 2.424 -9.095 27 HA VAL 4 HA VAL 4 5.810 4.044 -6.764 28 HB VAL 4 HB VAL 4 6.460 5.963 -7.876 29 1HG1 VAL 4 1HG1 VAL 4 8.377 4.720 -6.872 30 2HG1 VAL 4 2HG1 VAL 4 8.768 4.106 -8.498 31 3HG1 VAL 4 3HG1 VAL 4 8.826 5.843 -8.176 32 1HG2 VAL 4 1HG2 VAL 4 6.298 4.367 -10.328 33 2HG2 VAL 4 2HG2 VAL 4 5.885 6.026 -9.963 34 3HG2 VAL 4 3HG2 VAL 4 7.601 5.641 -10.274 35 H LEU 5 HN LEU 5 4.329 1.950 -7.910 36 HA LEU 5 HA LEU 5 2.025 3.328 -8.962 37 1HB LEU 5 2HB LEU 5 1.848 1.946 -10.972 38 2HB LEU 5 3HB LEU 5 3.219 3.042 -10.965 39 HG LEU 5 HG LEU 5 4.452 0.737 -10.074 40 1HD1 LEU 5 1HD1 LEU 5 2.319 -0.593 -10.442 41 2HD1 LEU 5 2HD1 LEU 5 2.431 -0.185 -12.171 42 3HD1 LEU 5 3HD1 LEU 5 3.696 -1.150 -11.375 43 1HD2 LEU 5 1HD2 LEU 5 4.017 1.542 -12.968 44 2HD2 LEU 5 2HD2 LEU 5 5.224 2.229 -11.857 45 3HD2 LEU 5 3HD2 LEU 5 5.327 0.529 -12.332 46 H VAL 6 HN VAL 6 0.403 2.242 -7.681 47 HA VAL 6 HA VAL 6 0.672 -0.684 -7.607 48 HB VAL 6 HB VAL 6 1.694 0.047 -5.522 49 1HG1 VAL 6 1HG1 VAL 6 -0.878 1.421 -4.784 50 2HG1 VAL 6 2HG1 VAL 6 0.538 1.118 -3.778 51 3HG1 VAL 6 3HG1 VAL 6 0.667 2.189 -5.164 52 1HG2 VAL 6 1HG2 VAL 6 -0.039 -1.226 -4.008 53 2HG2 VAL 6 2HG2 VAL 6 -0.830 -1.573 -5.535 54 3HG2 VAL 6 3HG2 VAL 6 0.832 -2.054 -5.326 55 H LYS 7 HN LYS 7 -0.760 0.113 -9.349 56 HA LYS 7 HA LYS 7 -3.553 0.096 -8.272 57 1HB LYS 7 2HB LYS 7 -4.269 1.249 -10.339 58 2HB LYS 7 3HB LYS 7 -3.198 2.231 -9.357 59 1HG LYS 7 2HG LYS 7 -1.453 2.116 -10.926 60 2HG LYS 7 3HG LYS 7 -2.033 0.627 -11.653 61 1HD LYS 7 2HD LYS 7 -3.887 1.729 -12.722 62 2HD LYS 7 3HD LYS 7 -3.605 3.232 -11.810 63 1HE LYS 7 2HE LYS 7 -1.377 3.426 -12.892 64 2HE LYS 7 3HE LYS 7 -1.739 2.013 -13.886 65 1HZ LYS 7 1HZ LYS 7 -3.317 4.514 -13.877 66 2HZ LYS 7 2HZ LYS 7 -2.163 4.152 -14.963 67 3HZ LYS 7 3HZ LYS 7 -3.517 3.236 -14.935 68 H TYR 8 HN TYR 8 -1.815 -2.264 -8.863 69 HA TYR 8 HA TYR 8 -3.653 -3.557 -10.800 70 1HB TYR 8 2HB TYR 8 -0.604 -3.758 -10.888 71 2HB TYR 8 3HB TYR 8 -1.724 -4.636 -11.911 72 HD1 TYR 8 HD1 TYR 8 -3.440 -3.209 -13.295 73 HD2 TYR 8 HD2 TYR 8 0.402 -1.825 -11.898 74 HE1 TYR 8 HE1 TYR 8 -3.438 -1.462 -15.047 75 HE2 TYR 8 HE2 TYR 8 0.425 -0.095 -13.659 76 HH TYR 8 HH TYR 8 -0.849 0.966 -15.453 77 H GLY 9 HN GLY 9 -3.618 -3.636 -7.937 78 1HA GLY 9 1HA GLY 9 -3.472 -5.082 -6.154 79 2HA GLY 9 2HA GLY 9 -3.393 -6.415 -7.302 80 H THR 10 HN THR 10 -1.493 -7.118 -7.908 81 HA THR 10 HA THR 10 0.044 -7.099 -5.462 82 HB THR 10 HB THR 10 0.978 -9.261 -6.460 83 HG1 THR 10 HG1 THR 10 0.448 -9.441 -8.461 84 1HG2 THR 10 1HG2 THR 10 -2.011 -8.937 -5.915 85 2HG2 THR 10 2HG2 THR 10 -1.116 -10.463 -5.878 86 3HG2 THR 10 3HG2 THR 10 -0.747 -9.186 -4.689 87 H ASP 11 HN ASP 11 0.906 -4.899 -7.038 88 HA ASP 11 HA ASP 11 3.514 -5.856 -8.075 89 1HB ASP 11 2HB ASP 11 1.478 -5.201 -9.543 90 2HB ASP 11 3HB ASP 11 1.884 -3.537 -9.143 91 H HIS 12 HN HIS 12 3.491 -4.913 -5.422 92 HA HIS 12 HA HIS 12 5.660 -3.055 -5.488 93 1HB HIS 12 2HB HIS 12 4.758 -1.070 -4.721 94 2HB HIS 12 3HB HIS 12 3.474 -1.588 -5.756 95 HD1 HIS 12 HD1 HIS 12 2.427 -3.796 -3.332 96 HD2 HIS 12 HD2 HIS 12 3.020 0.374 -3.207 97 HE1 HIS 12 HE1 HIS 12 0.933 -2.920 -1.520 98 HA PRO 13 HA PRO 13 6.204 -5.110 -1.594 99 1HB PRO 13 2HB PRO 13 7.361 -3.343 0.121 100 2HB PRO 13 3HB PRO 13 8.163 -4.003 -1.330 101 1HG PRO 13 2HG PRO 13 6.835 -1.298 -1.040 102 2HG PRO 13 3HG PRO 13 8.436 -1.665 -1.740 103 1HD PRO 13 2HD PRO 13 6.149 -1.351 -3.204 104 2HD PRO 13 3HD PRO 13 7.468 -2.435 -3.729 105 H VAL 14 HN VAL 14 5.364 -5.319 0.771 106 HA VAL 14 HA VAL 14 4.077 -3.919 2.351 107 HB VAL 14 HB VAL 14 2.235 -4.313 0.050 108 1HG1 VAL 14 1HG1 VAL 14 1.321 -4.645 2.935 109 2HG1 VAL 14 2HG1 VAL 14 0.232 -4.109 1.653 110 3HG1 VAL 14 3HG1 VAL 14 0.996 -5.701 1.548 111 1HG2 VAL 14 1HG2 VAL 14 3.249 -2.088 1.421 112 2HG2 VAL 14 2HG2 VAL 14 1.828 -2.067 0.406 113 3HG2 VAL 14 3HG2 VAL 14 1.655 -2.260 2.137 114 H GLU 15 HN GLU 15 3.660 -6.857 0.354 115 HA GLU 15 HA GLU 15 4.211 -8.479 2.807 116 1HB GLU 15 2HB GLU 15 1.567 -8.562 1.255 117 2HB GLU 15 3HB GLU 15 2.146 -9.945 2.143 118 1HG GLU 15 2HG GLU 15 2.472 -8.265 4.101 119 2HG GLU 15 3HG GLU 15 1.341 -7.268 3.223 120 H LYS 16 HN LYS 16 5.493 -7.927 0.032 121 HA LYS 16 HA LYS 16 6.489 -10.597 -0.117 122 1HB LYS 16 2HB LYS 16 4.137 -10.581 -1.427 123 2HB LYS 16 3HB LYS 16 5.125 -9.908 -2.707 124 1HG LYS 16 2HG LYS 16 5.198 -12.114 -3.106 125 2HG LYS 16 3HG LYS 16 6.746 -11.868 -2.315 126 1HD LYS 16 2HD LYS 16 5.953 -12.863 -0.209 127 2HD LYS 16 3HD LYS 16 4.271 -12.845 -0.762 128 1HE LYS 16 2HE LYS 16 6.467 -14.327 -2.246 129 2HE LYS 16 3HE LYS 16 5.535 -15.086 -0.948 130 1HZ LYS 16 1HZ LYS 16 4.635 -15.527 -3.192 131 2HZ LYS 16 2HZ LYS 16 3.541 -14.821 -2.188 132 3HZ LYS 16 3HZ LYS 16 4.274 -13.949 -3.372 133 H LEU 17 HN LEU 17 5.979 -8.026 -2.581 134 HA LEU 17 HA LEU 17 8.624 -8.042 -3.434 135 1HB LEU 17 2HB LEU 17 6.295 -6.457 -3.889 136 2HB LEU 17 3HB LEU 17 7.590 -5.313 -3.621 137 HG LEU 17 HG LEU 17 7.362 -5.735 -5.949 138 1HD1 LEU 17 1HD1 LEU 17 9.643 -6.352 -6.512 139 2HD1 LEU 17 2HD1 LEU 17 9.625 -5.332 -5.069 140 3HD1 LEU 17 3HD1 LEU 17 9.908 -7.083 -4.936 141 1HD2 LEU 17 1HD2 LEU 17 6.339 -7.963 -5.898 142 2HD2 LEU 17 2HD2 LEU 17 7.699 -7.891 -7.017 143 3HD2 LEU 17 3HD2 LEU 17 7.892 -8.692 -5.450 144 H LYS 18 HN LYS 18 7.335 -6.596 -0.599 145 HA LYS 18 HA LYS 18 9.581 -4.972 0.150 146 1HB LYS 18 2HB LYS 18 8.488 -4.536 2.055 147 2HB LYS 18 3HB LYS 18 7.135 -5.277 1.266 148 1HG LYS 18 2HG LYS 18 8.982 -6.735 3.200 149 2HG LYS 18 3HG LYS 18 7.495 -5.915 3.646 150 1HD LYS 18 2HD LYS 18 6.132 -7.367 2.360 151 2HD LYS 18 3HD LYS 18 7.517 -8.192 1.615 152 1HE LYS 18 2HE LYS 18 8.273 -8.838 3.944 153 2HE LYS 18 3HE LYS 18 6.760 -8.067 4.513 154 1HZ LYS 18 1HZ LYS 18 5.499 -9.645 3.825 155 2HZ LYS 18 2HZ LYS 18 6.513 -10.297 2.664 156 3HZ LYS 18 3HZ LYS 18 6.772 -10.524 4.274 157 H ILE 19 HN ILE 19 9.070 -8.457 0.388 158 HA ILE 19 HA ILE 19 11.140 -8.873 2.297 159 HB ILE 19 HB ILE 19 8.956 -10.225 1.200 160 1HG1 ILE 19 2HG1 ILE 19 10.981 -11.574 2.982 161 2HG1 ILE 19 3HG1 ILE 19 9.938 -10.246 3.515 162 1HG2 ILE 19 1HG2 ILE 19 10.309 -11.121 -0.684 163 2HG2 ILE 19 2HG2 ILE 19 11.321 -11.979 0.503 164 3HG2 ILE 19 3HG2 ILE 19 9.589 -12.339 0.347 165 1HD1 ILE 19 1HD1 ILE 19 7.975 -11.635 2.491 166 2HD1 ILE 19 2HD1 ILE 19 9.108 -12.996 2.609 167 3HD1 ILE 19 3HD1 ILE 19 8.662 -12.093 4.070 168 H ARG 20 HN ARG 20 10.910 -8.469 -1.153 169 HA ARG 20 HA ARG 20 13.524 -9.616 -1.779 170 1HB ARG 20 2HB ARG 20 11.446 -8.112 -3.431 171 2HB ARG 20 3HB ARG 20 12.961 -8.710 -4.058 172 1HG ARG 20 2HG ARG 20 12.059 -10.678 -4.494 173 2HG ARG 20 3HG ARG 20 11.774 -10.957 -2.778 174 1HD ARG 20 2HD ARG 20 9.509 -10.456 -2.932 175 2HD ARG 20 3HD ARG 20 9.787 -9.350 -4.302 176 HE ARG 20 HE ARG 20 9.507 -10.969 -5.786 177 1HH1 ARG 20 2HH2 ARG 20 10.092 -12.822 -2.816 178 2HH1 ARG 20 1HH2 ARG 20 8.892 -14.010 -3.156 179 1HH2 ARG 20 2HH1 ARG 20 7.995 -12.650 -6.296 180 2HH2 ARG 20 1HH1 ARG 20 7.957 -14.066 -5.301 181 H SER 21 HN SER 21 12.538 -6.669 -0.362 182 HA SER 21 HA SER 21 14.896 -5.489 0.018 183 1HB SER 21 2HB SER 21 13.817 -4.611 -2.668 184 2HB SER 21 3HB SER 21 14.703 -3.473 -1.629 185 HG SER 21 HG SER 21 15.670 -5.975 -2.515 186 H ALA 22 HN ALA 22 13.792 -5.008 1.859 187 HA ALA 22 HA ALA 22 12.922 -2.397 2.244 188 1HB ALA 22 1HB ALA 22 10.660 -3.197 1.310 189 2HB ALA 22 2HB ALA 22 10.669 -4.446 2.593 190 3HB ALA 22 3HB ALA 22 10.571 -2.726 3.009 191 H LYS 23 HN LYS 23 12.108 -2.141 4.609 192 HA LYS 23 HA LYS 23 12.965 -4.248 6.419 193 1HB LYS 23 2HB LYS 23 14.827 -2.238 5.602 194 2HB LYS 23 3HB LYS 23 14.152 -1.648 7.045 195 1HG LYS 23 2HG LYS 23 15.884 -2.646 7.995 196 2HG LYS 23 3HG LYS 23 14.784 -4.033 8.041 197 1HD LYS 23 2HD LYS 23 16.678 -3.438 5.707 198 2HD LYS 23 3HD LYS 23 17.196 -4.430 7.078 199 1HE LYS 23 2HE LYS 23 14.602 -4.995 5.781 200 2HE LYS 23 3HE LYS 23 16.057 -5.410 4.838 201 1HZ LYS 23 1HZ LYS 23 15.501 -7.366 6.057 202 2HZ LYS 23 2HZ LYS 23 16.788 -6.724 6.810 203 3HZ LYS 23 3HZ LYS 23 15.334 -6.540 7.484 204 H ALA 24 HN ALA 24 12.841 -2.889 8.703 205 HA ALA 24 HA ALA 24 10.014 -2.464 8.958 206 1HB ALA 24 1HB ALA 24 10.530 -1.879 11.288 207 2HB ALA 24 2HB ALA 24 11.548 -3.256 10.829 208 3HB ALA 24 3HB ALA 24 12.232 -1.605 10.884 209 H GLU 25 HN GLU 25 12.327 -0.398 7.705 210 HA GLU 25 HA GLU 25 11.084 2.027 8.733 211 1HB GLU 25 2HB GLU 25 13.438 2.925 8.080 212 2HB GLU 25 3HB GLU 25 13.174 2.129 9.671 213 1HG GLU 25 2HG GLU 25 13.892 -0.017 8.599 214 2HG GLU 25 3HG GLU 25 14.296 0.885 7.132 215 H ASP 26 HN ASP 26 10.211 0.606 6.476 216 HA ASP 26 HA ASP 26 10.892 2.573 4.417 217 1HB ASP 26 2HB ASP 26 10.458 -0.268 4.496 218 2HB ASP 26 3HB ASP 26 9.190 0.376 3.458 219 H LYS 27 HN LYS 27 8.627 3.150 2.954 220 HA LYS 27 HA LYS 27 6.344 3.338 4.783 221 1HB LYS 27 2HB LYS 27 7.443 5.712 3.212 222 2HB LYS 27 3HB LYS 27 6.105 5.660 4.337 223 1HG LYS 27 2HG LYS 27 7.590 6.607 5.731 224 2HG LYS 27 3HG LYS 27 7.973 4.928 6.088 225 1HD LYS 27 2HD LYS 27 9.805 5.181 4.218 226 2HD LYS 27 3HD LYS 27 9.448 6.916 4.329 227 1HE LYS 27 2HE LYS 27 9.878 6.690 6.850 228 2HE LYS 27 3HE LYS 27 10.527 5.072 6.494 229 1HZ LYS 27 1HZ LYS 27 11.503 7.669 5.515 230 2HZ LYS 27 2HZ LYS 27 12.292 6.666 6.540 231 3HZ LYS 27 3HZ LYS 27 12.098 6.235 4.951 232 H ILE 28 HN ILE 28 4.497 2.593 3.703 233 HA ILE 28 HA ILE 28 4.517 2.908 0.782 234 HB ILE 28 HB ILE 28 3.798 0.293 2.082 235 1HG1 ILE 28 2HG1 ILE 28 5.959 -0.527 0.802 236 2HG1 ILE 28 3HG1 ILE 28 6.535 1.117 1.062 237 1HG2 ILE 28 1HG2 ILE 28 4.255 1.262 -0.790 238 2HG2 ILE 28 2HG2 ILE 28 4.188 -0.443 -0.395 239 3HG2 ILE 28 3HG2 ILE 28 2.783 0.530 -0.096 240 1HD1 ILE 28 1HD1 ILE 28 7.173 -0.546 2.822 241 2HD1 ILE 28 2HD1 ILE 28 6.179 0.762 3.501 242 3HD1 ILE 28 3HD1 ILE 28 5.443 -0.811 3.160 243 H VAL 29 HN VAL 29 2.571 2.608 -0.138 244 HA VAL 29 HA VAL 29 0.129 2.602 1.427 245 HB VAL 29 HB VAL 29 0.867 4.862 -0.465 246 1HG1 VAL 29 1HG1 VAL 29 -1.422 5.801 -0.178 247 2HG1 VAL 29 2HG1 VAL 29 -1.422 4.324 -1.108 248 3HG1 VAL 29 3HG1 VAL 29 -1.945 4.308 0.596 249 1HG2 VAL 29 1HG2 VAL 29 1.567 5.342 1.758 250 2HG2 VAL 29 2HG2 VAL 29 0.033 6.209 1.590 251 3HG2 VAL 29 3HG2 VAL 29 0.073 4.674 2.445 252 H LEU 30 HN LEU 30 -1.782 1.942 0.175 253 HA LEU 30 HA LEU 30 -1.210 0.661 -2.495 254 1HB LEU 30 2HB LEU 30 -3.641 -0.275 -1.158 255 2HB LEU 30 3HB LEU 30 -2.338 -1.209 -1.817 256 HG LEU 30 HG LEU 30 -2.322 -0.084 1.017 257 1HD1 LEU 30 1HD1 LEU 30 -3.189 -2.811 -0.042 258 2HD1 LEU 30 2HD1 LEU 30 -2.922 -2.414 1.673 259 3HD1 LEU 30 3HD1 LEU 30 -4.212 -1.629 0.748 260 1HD2 LEU 30 1HD2 LEU 30 -0.702 -2.278 -0.319 261 2HD2 LEU 30 2HD2 LEU 30 -0.083 -0.680 0.130 262 3HD2 LEU 30 3HD2 LEU 30 -0.620 -1.814 1.386 263 H ILE 31 HN ILE 31 -2.669 1.047 -4.188 264 HA ILE 31 HA ILE 31 -5.068 2.630 -3.529 265 HB ILE 31 HB ILE 31 -4.615 4.296 -4.982 266 1HG1 ILE 31 2HG1 ILE 31 -2.375 2.789 -6.352 267 2HG1 ILE 31 3HG1 ILE 31 -3.966 2.686 -6.910 268 1HG2 ILE 31 1HG2 ILE 31 -2.517 5.348 -4.528 269 2HG2 ILE 31 2HG2 ILE 31 -2.927 4.417 -3.100 270 3HG2 ILE 31 3HG2 ILE 31 -1.718 3.803 -4.230 271 1HD1 ILE 31 1HD1 ILE 31 -2.841 4.357 -8.199 272 2HD1 ILE 31 2HD1 ILE 31 -4.141 5.111 -7.193 273 3HD1 ILE 31 3HD1 ILE 31 -2.444 5.280 -6.738 274 H GLN 32 HN GLN 32 -6.397 2.774 -5.742 275 HA GLN 32 HA GLN 32 -7.800 1.534 -6.903 276 1HB GLN 32 2HB GLN 32 -5.371 0.864 -8.409 277 2HB GLN 32 3HB GLN 32 -7.002 0.718 -9.023 278 1HG GLN 32 2HG GLN 32 -6.027 3.359 -7.992 279 2HG GLN 32 3HG GLN 32 -5.629 2.842 -9.619 280 1HE2 GLN 32 1HE2 GLN 32 -8.544 3.792 -7.525 281 2HE2 GLN 32 2HE2 GLN 32 -9.559 3.738 -8.893 282 H ASN 33 HN ASN 33 -6.332 -0.907 -8.322 283 HA ASN 33 HA ASN 33 -7.546 -3.036 -6.762 284 1HB ASN 33 2HB ASN 33 -5.485 -3.364 -9.024 285 2HB ASN 33 3HB ASN 33 -6.474 -4.574 -8.307 286 1HD2 ASN 33 1HD2 ASN 33 -6.811 -1.607 -10.394 287 2HD2 ASN 33 2HD2 ASN 33 -8.477 -1.966 -10.758 288 H GLY 34 HN GLY 34 -4.496 -1.414 -6.496 289 1HA GLY 34 1HA GLY 34 -2.701 -3.244 -5.340 290 2HA GLY 34 2HA GLY 34 -2.870 -1.525 -5.041 291 H VAL 35 HN VAL 35 -5.707 -1.722 -4.047 292 HA VAL 35 HA VAL 35 -5.215 -2.181 -1.306 293 HB VAL 35 HB VAL 35 -7.576 -2.160 -1.044 294 1HG1 VAL 35 1HG1 VAL 35 -8.097 0.047 -1.899 295 2HG1 VAL 35 2HG1 VAL 35 -6.423 -0.024 -1.341 296 3HG1 VAL 35 3HG1 VAL 35 -6.776 -0.051 -3.076 297 1HG2 VAL 35 1HG2 VAL 35 -8.654 -3.387 -2.696 298 2HG2 VAL 35 2HG2 VAL 35 -8.952 -1.740 -3.303 299 3HG2 VAL 35 3HG2 VAL 35 -7.677 -2.738 -4.010 300 H PHE 36 HN PHE 36 -5.700 -4.598 -3.838 301 HA PHE 36 HA PHE 36 -6.591 -6.809 -2.363 302 1HB PHE 36 2HB PHE 36 -4.665 -6.509 -4.689 303 2HB PHE 36 3HB PHE 36 -5.206 -8.056 -4.100 304 HD1 PHE 36 HD1 PHE 36 -8.061 -5.822 -4.043 305 HD2 PHE 36 HD2 PHE 36 -5.541 -8.200 -6.623 306 HE1 PHE 36 HE1 PHE 36 -9.824 -5.857 -5.763 307 HE2 PHE 36 HE2 PHE 36 -7.331 -8.207 -8.332 308 HZ PHE 36 HZ PHE 36 -9.450 -6.992 -7.934 309 H TRP 37 HN TRP 37 -3.677 -5.029 -1.967 310 HA TRP 37 HA TRP 37 -2.068 -7.237 -0.930 311 1HB TRP 37 2HB TRP 37 -1.800 -4.224 -0.863 312 2HB TRP 37 3HB TRP 37 -0.758 -5.272 0.069 313 HD1 TRP 37 HD1 TRP 37 -1.065 -3.796 -3.319 314 HE1 TRP 37 HE1 TRP 37 0.648 -4.713 -4.875 315 HE3 TRP 37 HE3 TRP 37 0.641 -7.561 -0.382 316 HZ2 TRP 37 HZ2 TRP 37 2.911 -6.677 -4.692 317 HZ3 TRP 37 HZ3 TRP 37 2.591 -8.945 -1.063 318 HH2 TRP 37 HH2 TRP 37 3.765 -8.430 -3.257 319 H ALA 38 HN ALA 38 -4.612 -5.182 0.436 320 HA ALA 38 HA ALA 38 -3.780 -5.607 3.246 321 1HB ALA 38 1HB ALA 38 -4.851 -3.472 2.413 322 2HB ALA 38 2HB ALA 38 -6.321 -4.408 2.089 323 3HB ALA 38 3HB ALA 38 -5.701 -4.259 3.753 324 H LEU 39 HN LEU 39 -3.979 -7.986 1.921 325 HA LEU 39 HA LEU 39 -5.713 -9.633 3.408 326 1HB LEU 39 2HB LEU 39 -7.407 -10.116 1.616 327 2HB LEU 39 3HB LEU 39 -7.551 -8.633 2.504 328 HG LEU 39 HG LEU 39 -6.105 -7.816 0.239 329 1HD1 LEU 39 1HD1 LEU 39 -6.527 -9.894 -0.928 330 2HD1 LEU 39 2HD1 LEU 39 -8.276 -9.765 -0.609 331 3HD1 LEU 39 3HD1 LEU 39 -7.447 -8.588 -1.658 332 1HD2 LEU 39 1HD2 LEU 39 -9.071 -7.662 0.806 333 2HD2 LEU 39 2HD2 LEU 39 -7.836 -6.515 1.329 334 3HD2 LEU 39 3HD2 LEU 39 -8.190 -6.673 -0.393 335 H GLU 40 HN GLU 40 -3.098 -9.802 2.938 336 HA GLU 40 HA GLU 40 -2.761 -12.005 0.992 337 1HB GLU 40 2HB GLU 40 -0.940 -9.718 1.837 338 2HB GLU 40 3HB GLU 40 -0.286 -11.149 1.042 339 1HG GLU 40 2HG GLU 40 -2.578 -9.573 -0.112 340 2HG GLU 40 3HG GLU 40 -0.896 -9.130 -0.385 341 H GLU 41 HN GLU 41 -0.245 -12.823 1.916 342 HA GLU 41 HA GLU 41 -0.874 -14.046 4.536 343 1HB GLU 41 2HB GLU 41 -0.627 -15.285 1.769 344 2HB GLU 41 3HB GLU 41 -0.122 -16.220 3.170 345 1HG GLU 41 2HG GLU 41 -2.766 -15.030 3.665 346 2HG GLU 41 3HG GLU 41 -2.727 -15.947 2.152 347 H LEU 42 HN LEU 42 0.798 -12.234 4.779 348 HA LEU 42 HA LEU 42 3.397 -13.458 5.196 349 1HB LEU 42 2HB LEU 42 2.763 -12.067 2.810 350 2HB LEU 42 3HB LEU 42 3.667 -10.896 3.706 351 HG LEU 42 HG LEU 42 5.332 -12.005 2.455 352 1HD1 LEU 42 1HD1 LEU 42 6.173 -12.180 4.724 353 2HD1 LEU 42 2HD1 LEU 42 5.537 -13.832 4.787 354 3HD1 LEU 42 3HD1 LEU 42 6.734 -13.403 3.557 355 1HD2 LEU 42 1HD2 LEU 42 3.736 -13.732 1.542 356 2HD2 LEU 42 2HD2 LEU 42 5.434 -14.210 1.719 357 3HD2 LEU 42 3HD2 LEU 42 4.247 -14.747 2.907 358 H GLU 43 HN GLU 43 3.989 -10.257 5.166 359 HA GLU 43 HA GLU 43 2.737 -9.209 7.427 360 1HB GLU 43 2HB GLU 43 4.696 -9.201 8.945 361 2HB GLU 43 3HB GLU 43 4.040 -10.828 8.689 362 1HG GLU 43 2HG GLU 43 5.830 -11.298 7.030 363 2HG GLU 43 3HG GLU 43 6.448 -9.672 7.274 364 H THR 44 HN THR 44 3.936 -7.153 7.852 365 HA THR 44 HA THR 44 6.240 -6.361 6.200 366 HB THR 44 HB THR 44 4.832 -5.216 4.902 367 HG1 THR 44 HG1 THR 44 5.239 -3.135 6.588 368 1HG2 THR 44 1HG2 THR 44 3.347 -3.433 6.626 369 2HG2 THR 44 2HG2 THR 44 2.713 -4.566 5.405 370 3HG2 THR 44 3HG2 THR 44 2.941 -5.081 7.080 371 HA PRO 45 HA PRO 45 6.915 -4.585 10.265 372 1HB PRO 45 2HB PRO 45 9.508 -4.179 10.149 373 2HB PRO 45 3HB PRO 45 8.914 -5.844 10.075 374 1HG PRO 45 2HG PRO 45 9.719 -4.065 7.736 375 2HG PRO 45 3HG PRO 45 10.268 -5.709 8.047 376 1HD PRO 45 2HD PRO 45 8.150 -4.866 6.502 377 2HD PRO 45 3HD PRO 45 8.255 -6.549 7.188 378 H ALA 46 HN ALA 46 7.230 -3.229 7.060 379 HA ALA 46 HA ALA 46 7.844 -0.482 7.804 380 1HB ALA 46 1HB ALA 46 8.551 -1.425 5.607 381 2HB ALA 46 2HB ALA 46 6.847 -1.673 5.181 382 3HB ALA 46 3HB ALA 46 7.456 -0.044 5.415 383 H LYS 47 HN LYS 47 6.186 1.291 7.027 384 HA LYS 47 HA LYS 47 3.643 0.702 8.301 385 1HB LYS 47 2HB LYS 47 3.356 2.875 8.492 386 2HB LYS 47 3HB LYS 47 5.059 2.706 8.816 387 1HG LYS 47 2HG LYS 47 5.606 3.448 6.622 388 2HG LYS 47 3HG LYS 47 3.895 3.616 6.131 389 1HD LYS 47 2HD LYS 47 4.423 5.093 8.545 390 2HD LYS 47 3HD LYS 47 5.652 5.415 7.365 391 1HE LYS 47 2HE LYS 47 4.231 6.187 5.711 392 2HE LYS 47 3HE LYS 47 2.838 5.970 6.774 393 1HZ LYS 47 1HZ LYS 47 5.161 7.738 7.369 394 2HZ LYS 47 2HZ LYS 47 3.688 8.291 6.906 395 3HZ LYS 47 3HZ LYS 47 3.878 7.548 8.338 396 H VAL 48 HN VAL 48 1.718 0.570 7.211 397 HA VAL 48 HA VAL 48 1.739 0.650 4.279 398 HB VAL 48 HB VAL 48 1.449 -1.734 6.158 399 1HG1 VAL 48 1HG1 VAL 48 -0.613 -1.785 4.990 400 2HG1 VAL 48 2HG1 VAL 48 0.143 -1.405 3.442 401 3HG1 VAL 48 3HG1 VAL 48 0.429 -2.985 4.239 402 1HG2 VAL 48 1HG2 VAL 48 2.980 -1.089 3.615 403 2HG2 VAL 48 2HG2 VAL 48 3.625 -1.536 5.190 404 3HG2 VAL 48 3HG2 VAL 48 2.801 -2.745 4.191 405 H TYR 49 HN TYR 49 -0.047 1.645 3.685 406 HA TYR 49 HA TYR 49 -2.388 1.817 5.489 407 1HB TYR 49 2HB TYR 49 -0.664 4.052 4.344 408 2HB TYR 49 3HB TYR 49 -2.228 4.264 5.089 409 HD1 TYR 49 HD1 TYR 49 -2.536 4.008 7.514 410 HD2 TYR 49 HD2 TYR 49 1.480 3.899 5.841 411 HE1 TYR 49 HE1 TYR 49 -1.609 4.842 9.643 412 HE2 TYR 49 HE2 TYR 49 2.329 4.661 7.999 413 HH TYR 49 HH TYR 49 0.866 4.762 10.804 414 H ALA 50 HN ALA 50 -4.284 1.666 4.085 415 HA ALA 50 HA ALA 50 -3.710 1.647 1.121 416 1HB ALA 50 1HB ALA 50 -4.969 -0.265 2.346 417 2HB ALA 50 2HB ALA 50 -6.316 0.889 2.386 418 3HB ALA 50 3HB ALA 50 -5.644 0.398 0.842 419 H ILE 51 HN ILE 51 -5.224 2.834 -0.297 420 HA ILE 51 HA ILE 51 -6.402 5.268 0.884 421 HB ILE 51 HB ILE 51 -6.334 4.225 -2.023 422 1HG1 ILE 51 2HG1 ILE 51 -4.163 4.906 -1.393 423 2HG1 ILE 51 3HG1 ILE 51 -4.881 6.149 -2.412 424 1HG2 ILE 51 1HG2 ILE 51 -7.252 7.001 -1.139 425 2HG2 ILE 51 2HG2 ILE 51 -7.387 6.202 -2.717 426 3HG2 ILE 51 3HG2 ILE 51 -8.379 5.683 -1.370 427 1HD1 ILE 51 1HD1 ILE 51 -3.732 7.314 -0.759 428 2HD1 ILE 51 2HD1 ILE 51 -5.381 7.369 -0.136 429 3HD1 ILE 51 3HD1 ILE 51 -4.223 6.214 0.548 430 H LYS 52 HN LYS 52 -7.984 5.149 2.036 431 HA LYS 52 HA LYS 52 -9.938 3.174 2.095 432 1HB LYS 52 2HB LYS 52 -9.396 4.927 3.875 433 2HB LYS 52 3HB LYS 52 -10.286 6.112 2.924 434 1HG LYS 52 2HG LYS 52 -12.345 4.852 3.162 435 2HG LYS 52 3HG LYS 52 -11.497 3.475 3.851 436 1HD LYS 52 2HD LYS 52 -12.304 4.336 5.775 437 2HD LYS 52 3HD LYS 52 -10.793 5.253 5.734 438 1HE LYS 52 2HE LYS 52 -11.962 7.218 4.807 439 2HE LYS 52 3HE LYS 52 -13.427 6.255 4.574 440 1HZ LYS 52 1HZ LYS 52 -13.435 5.931 7.022 441 2HZ LYS 52 2HZ LYS 52 -12.256 7.120 7.122 442 3HZ LYS 52 3HZ LYS 52 -13.741 7.462 6.539 443 H ASP 53 HN ASP 53 -10.259 6.458 0.652 444 HA ASP 53 HA ASP 53 -12.801 6.121 -0.337 445 1HB ASP 53 2HB ASP 53 -10.475 7.681 -1.596 446 2HB ASP 53 3HB ASP 53 -12.174 7.879 -2.040 447 H ASP 54 HN ASP 54 -9.694 5.182 -2.227 448 HA ASP 54 HA ASP 54 -11.184 4.061 -4.208 449 1HB ASP 54 2HB ASP 54 -8.615 4.463 -4.049 450 2HB ASP 54 3HB ASP 54 -8.558 2.813 -3.347 451 H PHE 55 HN PHE 55 -10.003 2.388 -1.182 452 HA PHE 55 HA PHE 55 -10.685 -0.193 -1.979 453 1HB PHE 55 2HB PHE 55 -9.502 0.649 0.135 454 2HB PHE 55 3HB PHE 55 -11.084 0.957 0.816 455 HD1 PHE 55 HD1 PHE 55 -11.515 -0.683 2.522 456 HD2 PHE 55 HD2 PHE 55 -9.700 -1.905 -1.155 457 HE1 PHE 55 HE1 PHE 55 -11.264 -2.988 3.370 458 HE2 PHE 55 HE2 PHE 55 -9.328 -4.186 -0.258 459 HZ PHE 55 HZ PHE 55 -10.122 -4.733 2.032 460 H LEU 56 HN LEU 56 -12.695 2.276 -0.593 461 HA LEU 56 HA LEU 56 -15.222 0.887 -0.425 462 1HB LEU 56 2HB LEU 56 -14.390 3.809 -0.677 463 2HB LEU 56 3HB LEU 56 -15.999 3.329 -0.262 464 HG LEU 56 HG LEU 56 -13.518 2.703 1.399 465 1HD1 LEU 56 1HD1 LEU 56 -14.182 5.099 1.371 466 2HD1 LEU 56 2HD1 LEU 56 -15.848 4.660 1.806 467 3HD1 LEU 56 3HD1 LEU 56 -14.522 4.382 2.948 468 1HD2 LEU 56 1HD2 LEU 56 -15.170 2.024 3.165 469 2HD2 LEU 56 2HD2 LEU 56 -16.460 2.123 1.948 470 3HD2 LEU 56 3HD2 LEU 56 -15.150 0.942 1.780 471 H ALA 57 HN ALA 57 -13.585 2.807 -2.958 472 HA ALA 57 HA ALA 57 -15.819 2.624 -4.781 473 1HB ALA 57 1HB ALA 57 -14.298 3.512 -6.454 474 2HB ALA 57 2HB ALA 57 -14.144 4.456 -4.957 475 3HB ALA 57 3HB ALA 57 -12.908 3.255 -5.400 476 H ARG 58 HN ARG 58 -13.287 0.476 -3.716 477 HA ARG 58 HA ARG 58 -13.465 -1.195 -6.201 478 1HB ARG 58 2HB ARG 58 -11.383 -0.428 -4.372 479 2HB ARG 58 3HB ARG 58 -11.616 -2.086 -4.049 480 1HG ARG 58 2HG ARG 58 -11.238 -1.139 -6.900 481 2HG ARG 58 3HG ARG 58 -9.876 -1.260 -5.791 482 1HD ARG 58 2HD ARG 58 -9.963 -3.275 -7.068 483 2HD ARG 58 3HD ARG 58 -10.394 -3.647 -5.403 484 HE ARG 58 HE ARG 58 -12.712 -3.763 -6.013 485 1HH1 ARG 58 2HH2 ARG 58 -10.448 -3.917 -8.806 486 2HH1 ARG 58 1HH2 ARG 58 -11.635 -4.459 -9.899 487 1HH2 ARG 58 2HH1 ARG 58 -14.336 -4.267 -7.580 488 2HH2 ARG 58 1HH1 ARG 58 -13.894 -4.462 -9.252 489 H GLY 59 HN GLY 59 -15.646 -0.996 -4.216 490 1HA GLY 59 1HA GLY 59 -17.129 -2.258 -3.048 491 2HA GLY 59 2HA GLY 59 -16.699 -3.536 -4.181 492 H TYR 60 HN TYR 60 -14.963 -2.034 -1.269 493 HA TYR 60 HA TYR 60 -15.072 -4.663 0.027 494 1HB TYR 60 2HB TYR 60 -12.849 -2.620 -0.086 495 2HB TYR 60 3HB TYR 60 -13.025 -3.797 1.176 496 HD1 TYR 60 HD1 TYR 60 -12.312 -3.368 -2.400 497 HD2 TYR 60 HD2 TYR 60 -12.263 -6.048 0.935 498 HE1 TYR 60 HE1 TYR 60 -10.996 -5.008 -3.755 499 HE2 TYR 60 HE2 TYR 60 -10.973 -7.708 -0.386 500 HH TYR 60 HH TYR 60 -9.840 -8.120 -2.425 501 H SER 61 HN SER 61 -15.175 -4.365 2.276 502 HA SER 61 HA SER 61 -16.631 -2.032 3.369 503 1HB SER 61 2HB SER 61 -16.754 -4.796 3.702 504 2HB SER 61 3HB SER 61 -15.678 -4.323 5.031 505 HG SER 61 HG SER 61 -18.377 -3.738 4.517 506 H GLU 62 HN GLU 62 -15.698 -1.325 5.649 507 HA GLU 62 HA GLU 62 -13.035 -0.466 5.244 508 1HB GLU 62 2HB GLU 62 -14.715 -0.403 7.789 509 2HB GLU 62 3HB GLU 62 -13.294 0.590 7.415 510 1HG GLU 62 2HG GLU 62 -14.564 1.552 5.458 511 2HG GLU 62 3HG GLU 62 -15.971 0.633 5.934 512 H GLU 63 HN GLU 63 -14.520 -2.773 7.574 513 HA GLU 63 HA GLU 63 -12.019 -3.531 8.709 514 1HB GLU 63 2HB GLU 63 -14.431 -3.620 9.685 515 2HB GLU 63 3HB GLU 63 -14.568 -5.165 8.852 516 1HG GLU 63 2HG GLU 63 -13.960 -5.501 11.187 517 2HG GLU 63 3HG GLU 63 -12.664 -6.063 10.157 518 H ASP 64 HN ASP 64 -13.210 -4.322 5.698 519 HA ASP 64 HA ASP 64 -12.370 -7.099 5.457 520 1HB ASP 64 2HB ASP 64 -12.755 -4.903 3.380 521 2HB ASP 64 3HB ASP 64 -12.338 -6.551 3.020 522 H SER 65 HN SER 65 -10.766 -3.978 5.471 523 HA SER 65 HA SER 65 -8.367 -4.921 4.072 524 1HB SER 65 2HB SER 65 -9.053 -2.578 3.794 525 2HB SER 65 3HB SER 65 -9.117 -2.297 5.525 526 HG SER 65 HG SER 65 -7.081 -1.866 5.463 527 H LYS 66 HN LYS 66 -6.835 -6.120 5.225 528 HA LYS 66 HA LYS 66 -6.655 -5.771 8.168 529 1HB LYS 66 2HB LYS 66 -5.076 -7.547 8.111 530 2HB LYS 66 3HB LYS 66 -6.431 -7.951 7.060 531 1HG LYS 66 2HG LYS 66 -5.250 -8.239 5.284 532 2HG LYS 66 3HG LYS 66 -4.329 -6.745 5.474 533 1HD LYS 66 2HD LYS 66 -2.526 -7.802 6.294 534 2HD LYS 66 3HD LYS 66 -3.448 -8.874 7.343 535 1HE LYS 66 2HE LYS 66 -3.393 -9.285 4.314 536 2HE LYS 66 3HE LYS 66 -2.116 -9.900 5.341 537 1HZ LYS 66 1HZ LYS 66 -3.677 -11.134 6.622 538 2HZ LYS 66 2HZ LYS 66 -4.971 -10.643 5.747 539 3HZ LYS 66 3HZ LYS 66 -3.775 -11.572 5.060 540 H VAL 67 HN VAL 67 -6.214 -3.338 6.754 541 HA VAL 67 HA VAL 67 -3.715 -2.610 7.974 542 HB VAL 67 HB VAL 67 -2.557 -1.684 6.150 543 1HG1 VAL 67 1HG1 VAL 67 -2.106 -3.474 4.580 544 2HG1 VAL 67 2HG1 VAL 67 -2.196 -3.991 6.272 545 3HG1 VAL 67 3HG1 VAL 67 -3.537 -4.346 5.161 546 1HG2 VAL 67 1HG2 VAL 67 -4.837 -2.125 4.244 547 2HG2 VAL 67 2HG2 VAL 67 -4.356 -0.571 4.935 548 3HG2 VAL 67 3HG2 VAL 67 -3.241 -1.438 3.882 549 HA PRO 68 HA PRO 68 -6.106 0.935 8.713 550 1HB PRO 68 2HB PRO 68 -4.285 3.005 8.808 551 2HB PRO 68 3HB PRO 68 -4.505 1.763 10.083 552 1HG PRO 68 2HG PRO 68 -2.456 1.799 7.869 553 2HG PRO 68 3HG PRO 68 -2.208 1.411 9.608 554 1HD PRO 68 2HD PRO 68 -2.474 -0.461 7.682 555 2HD PRO 68 3HD PRO 68 -3.135 -0.733 9.287 556 H LEU 69 HN LEU 69 -7.451 1.948 7.565 557 HA LEU 69 HA LEU 69 -6.965 2.602 4.718 558 1HB LEU 69 2HB LEU 69 -9.431 2.482 6.532 559 2HB LEU 69 3HB LEU 69 -9.488 2.921 4.822 560 HG LEU 69 HG LEU 69 -8.790 0.199 5.951 561 1HD1 LEU 69 1HD1 LEU 69 -11.183 0.757 6.058 562 2HD1 LEU 69 2HD1 LEU 69 -11.182 1.210 4.335 563 3HD1 LEU 69 3HD1 LEU 69 -10.878 -0.465 4.824 564 1HD2 LEU 69 1HD2 LEU 69 -8.684 1.330 3.133 565 2HD2 LEU 69 2HD2 LEU 69 -7.484 0.368 4.042 566 3HD2 LEU 69 3HD2 LEU 69 -8.954 -0.389 3.427 567 H ILE 70 HN ILE 70 -6.103 4.441 4.379 568 HA ILE 70 HA ILE 70 -6.816 6.770 6.100 569 HB ILE 70 HB ILE 70 -4.683 7.603 5.740 570 1HG1 ILE 70 2HG1 ILE 70 -4.010 5.427 3.742 571 2HG1 ILE 70 3HG1 ILE 70 -4.425 7.107 3.332 572 1HG2 ILE 70 1HG2 ILE 70 -4.210 4.645 6.213 573 2HG2 ILE 70 2HG2 ILE 70 -3.306 6.035 6.874 574 3HG2 ILE 70 3HG2 ILE 70 -4.959 5.719 7.394 575 1HD1 ILE 70 1HD1 ILE 70 -2.476 7.959 4.400 576 2HD1 ILE 70 2HD1 ILE 70 -2.030 6.392 5.041 577 3HD1 ILE 70 3HD1 ILE 70 -2.003 6.674 3.287 578 H THR 71 HN THR 71 -6.483 8.950 4.847 579 HA THR 71 HA THR 71 -8.148 8.759 2.443 580 HB THR 71 HB THR 71 -8.170 11.155 2.589 581 HG1 THR 71 HG1 THR 71 -7.177 12.097 4.539 582 1HG2 THR 71 1HG2 THR 71 -9.560 9.602 4.182 583 2HG2 THR 71 2HG2 THR 71 -8.498 10.183 5.462 584 3HG2 THR 71 3HG2 THR 71 -9.509 11.330 4.546 585 H TYR 72 HN TYR 72 -7.596 10.065 0.511 586 HA TYR 72 HA TYR 72 -5.072 9.492 -0.643 587 1HB TYR 72 2HB TYR 72 -7.314 11.432 -1.236 588 2HB TYR 72 3HB TYR 72 -5.825 11.513 -2.122 589 HD1 TYR 72 HD1 TYR 72 -9.001 10.428 -2.555 590 HD2 TYR 72 HD2 TYR 72 -4.976 8.901 -2.804 591 HE1 TYR 72 HE1 TYR 72 -9.692 8.925 -4.395 592 HE2 TYR 72 HE2 TYR 72 -5.633 7.421 -4.645 593 HH TYR 72 HH TYR 72 -9.002 7.068 -5.735 594 H SER 73 HN SER 73 -5.925 12.096 1.648 595 HA SER 73 HA SER 73 -3.521 13.604 0.810 596 1HB SER 73 2HB SER 73 -4.385 15.275 2.385 597 2HB SER 73 3HB SER 73 -5.515 14.803 1.096 598 HG SER 73 HG SER 73 -5.671 14.326 3.828 599 H GLU 74 HN GLU 74 -4.753 11.613 3.465 600 HA GLU 74 HA GLU 74 -2.479 11.919 5.225 601 1HB GLU 74 2HB GLU 74 -4.425 9.635 4.813 602 2HB GLU 74 3HB GLU 74 -3.042 9.530 5.906 603 1HG GLU 74 2HG GLU 74 -3.862 11.581 7.087 604 2HG GLU 74 3HG GLU 74 -5.362 11.459 6.178 605 H PHE 75 HN PHE 75 -3.078 9.869 2.331 606 HA PHE 75 HA PHE 75 -0.620 8.518 2.263 607 1HB PHE 75 2HB PHE 75 -2.277 7.847 0.833 608 2HB PHE 75 3HB PHE 75 -2.581 9.445 0.200 609 HD1 PHE 75 HD1 PHE 75 -2.540 9.066 -2.103 610 HD2 PHE 75 HD2 PHE 75 0.808 7.717 0.277 611 HE1 PHE 75 HE1 PHE 75 -1.425 8.240 -4.131 612 HE2 PHE 75 HE2 PHE 75 1.871 6.817 -1.746 613 HZ PHE 75 HZ PHE 75 0.762 7.070 -3.967 614 H ILE 76 HN ILE 76 -1.313 11.789 0.853 615 HA ILE 76 HA ILE 76 1.289 12.065 -0.233 616 HB ILE 76 HB ILE 76 -0.649 14.229 0.680 617 1HG1 ILE 76 2HG1 ILE 76 -1.766 12.987 -0.962 618 2HG1 ILE 76 3HG1 ILE 76 -1.192 14.430 -1.753 619 1HG2 ILE 76 1HG2 ILE 76 1.783 14.464 -1.147 620 2HG2 ILE 76 2HG2 ILE 76 0.569 15.732 -0.888 621 3HG2 ILE 76 3HG2 ILE 76 1.588 15.204 0.454 622 1HD1 ILE 76 1HD1 ILE 76 -0.940 12.545 -3.241 623 2HD1 ILE 76 2HD1 ILE 76 0.682 13.069 -2.762 624 3HD1 ILE 76 3HD1 ILE 76 -0.050 11.615 -2.032 625 H ASP 77 HN ASP 77 0.218 12.534 3.104 626 HA ASP 77 HA ASP 77 2.560 13.971 4.065 627 1HB ASP 77 2HB ASP 77 0.714 14.183 5.299 628 2HB ASP 77 3HB ASP 77 0.195 12.533 5.165 629 H LEU 78 HN LEU 78 1.706 10.608 3.401 630 HA LEU 78 HA LEU 78 4.025 9.700 4.886 631 1HB LEU 78 2HB LEU 78 2.490 7.937 3.018 632 2HB LEU 78 3HB LEU 78 3.397 7.515 4.492 633 HG LEU 78 HG LEU 78 0.662 8.705 4.165 634 1HD1 LEU 78 1HD1 LEU 78 1.708 6.054 5.015 635 2HD1 LEU 78 2HD1 LEU 78 0.139 6.623 5.645 636 3HD1 LEU 78 3HD1 LEU 78 0.416 6.487 3.911 637 1HD2 LEU 78 1HD2 LEU 78 1.822 9.747 6.228 638 2HD2 LEU 78 2HD2 LEU 78 0.270 8.969 6.450 639 3HD2 LEU 78 3HD2 LEU 78 1.718 8.112 6.942 640 H LEU 79 HN LEU 79 3.774 11.266 2.023 641 HA LEU 79 HA LEU 79 6.058 9.873 0.643 642 1HB LEU 79 2HB LEU 79 4.082 11.819 -0.559 643 2HB LEU 79 3HB LEU 79 5.420 11.041 -1.357 644 HG LEU 79 HG LEU 79 2.984 9.569 -0.264 645 1HD1 LEU 79 1HD1 LEU 79 3.776 10.445 -3.078 646 2HD1 LEU 79 2HD1 LEU 79 2.429 9.356 -2.689 647 3HD1 LEU 79 3HD1 LEU 79 2.387 11.015 -2.116 648 1HD2 LEU 79 1HD2 LEU 79 4.896 8.097 -0.241 649 2HD2 LEU 79 2HD2 LEU 79 3.947 7.689 -1.663 650 3HD2 LEU 79 3HD2 LEU 79 5.426 8.663 -1.836 651 H GLU 80 HN GLU 80 4.557 13.121 0.979 652 HA GLU 80 HA GLU 80 5.395 15.192 0.793 653 1HB GLU 80 2HB GLU 80 7.077 14.156 3.067 654 2HB GLU 80 3HB GLU 80 6.851 15.866 2.659 655 1HG GLU 80 2HG GLU 80 4.385 15.650 2.986 656 2HG GLU 80 3HG GLU 80 4.588 13.948 3.302 657 H GLY 81 HN GLY 81 8.523 14.029 1.631 658 1HA GLY 81 1HA GLY 81 9.623 15.045 -0.972 659 2HA GLY 81 2HA GLY 81 10.416 15.280 0.582 660 H GLU 82 HN GLU 82 8.855 12.172 0.031 661 HA GLU 82 HA GLU 82 11.554 10.930 0.067 662 1HB GLU 82 2HB GLU 82 9.005 9.956 1.384 663 2HB GLU 82 3HB GLU 82 10.611 9.288 1.561 664 1HG GLU 82 2HG GLU 82 9.778 12.071 2.529 665 2HG GLU 82 3HG GLU 82 9.818 10.620 3.514 666 H GLU 83 HN GLU 83 10.667 11.349 -2.482 667 HA GLU 83 HA GLU 83 8.681 9.506 -3.205 668 1HB GLU 83 2HB GLU 83 10.394 11.380 -4.773 669 2HB GLU 83 3HB GLU 83 9.321 10.250 -5.623 670 1HG GLU 83 2HG GLU 83 7.398 11.096 -4.362 671 2HG GLU 83 3HG GLU 83 8.442 12.240 -3.523 672 H LYS 84 HN LYS 84 9.854 7.556 -2.281 673 HA LYS 84 HA LYS 84 11.235 5.996 -4.456 674 1HB LYS 84 2HB LYS 84 12.035 6.407 -1.554 675 2HB LYS 84 3HB LYS 84 12.731 5.124 -2.541 676 1HG LYS 84 2HG LYS 84 14.179 6.424 -3.555 677 2HG LYS 84 3HG LYS 84 13.016 7.691 -3.902 678 1HD LYS 84 2HD LYS 84 14.122 7.316 -1.099 679 2HD LYS 84 3HD LYS 84 15.006 8.225 -2.325 680 1HE LYS 84 2HE LYS 84 12.097 8.867 -2.027 681 2HE LYS 84 3HE LYS 84 13.148 9.353 -0.677 682 1HZ LYS 84 1HZ LYS 84 12.914 11.083 -2.448 683 2HZ LYS 84 2HZ LYS 84 14.451 10.665 -2.144 684 3HZ LYS 84 3HZ LYS 84 13.675 10.106 -3.496 685 H PHE 85 HN PHE 85 8.489 5.888 -3.643 686 HA PHE 85 HA PHE 85 7.881 3.219 -3.774 687 1HB PHE 85 2HB PHE 85 7.105 2.810 -1.300 688 2HB PHE 85 3HB PHE 85 8.729 2.475 -1.797 689 HD1 PHE 85 HD1 PHE 85 7.291 5.918 -0.934 690 HD2 PHE 85 HD2 PHE 85 9.951 2.711 0.215 691 HE1 PHE 85 HE1 PHE 85 8.305 7.369 0.744 692 HE2 PHE 85 HE2 PHE 85 10.983 4.207 1.896 693 HZ PHE 85 HZ PHE 85 10.210 6.573 2.112 694 H ILE 86 HN ILE 86 6.678 4.912 -5.117 695 HA ILE 86 HA ILE 86 4.434 6.120 -3.601 696 HB ILE 86 HB ILE 86 4.678 6.625 -6.529 697 1HG1 ILE 86 2HG1 ILE 86 7.006 6.884 -6.028 698 2HG1 ILE 86 3HG1 ILE 86 6.276 8.461 -6.149 699 1HG2 ILE 86 1HG2 ILE 86 2.898 7.695 -5.206 700 2HG2 ILE 86 2HG2 ILE 86 4.102 8.316 -4.070 701 3HG2 ILE 86 3HG2 ILE 86 4.051 8.916 -5.745 702 1HD1 ILE 86 1HD1 ILE 86 6.531 7.366 -3.332 703 2HD1 ILE 86 2HD1 ILE 86 7.951 7.884 -4.204 704 3HD1 ILE 86 3HD1 ILE 86 6.597 9.013 -3.913 705 H GLY 87 HN GLY 87 2.199 6.018 -5.150 706 1HA GLY 87 1HA GLY 87 2.316 4.910 -7.396 707 2HA GLY 87 2HA GLY 87 2.046 3.407 -6.500 Start of MODEL 16 1 1H MET 1 HN MET 1 16.238 -0.321 9.052 2 HA MET 1 HA MET 1 13.726 0.416 10.395 3 1HB MET 1 2HB MET 1 15.655 2.177 10.414 4 2HB MET 1 3HB MET 1 15.224 2.439 8.725 5 1HG MET 1 2HG MET 1 13.395 2.654 11.150 6 2HG MET 1 3HG MET 1 14.118 3.994 10.269 7 1HE MET 1 1HE MET 1 11.973 5.262 10.040 8 2HE MET 1 2HE MET 1 10.450 4.585 9.428 9 3HE MET 1 3HE MET 1 11.112 4.015 10.979 10 H ALA 2 HN ALA 2 12.486 -1.023 9.230 11 HA ALA 2 HA ALA 2 11.940 -0.264 6.424 12 1HB ALA 2 1HB ALA 2 13.103 -2.463 6.394 13 2HB ALA 2 2HB ALA 2 11.940 -3.095 7.588 14 3HB ALA 2 3HB ALA 2 11.389 -2.632 5.963 15 H LEU 3 HN LEU 3 9.624 -0.738 5.949 16 HA LEU 3 HA LEU 3 7.967 0.001 8.308 17 1HB LEU 3 2HB LEU 3 7.545 0.566 5.351 18 2HB LEU 3 3HB LEU 3 6.526 1.139 6.669 19 HG LEU 3 HG LEU 3 8.932 2.076 7.551 20 1HD1 LEU 3 1HD1 LEU 3 10.280 1.340 5.606 21 2HD1 LEU 3 2HD1 LEU 3 9.169 2.146 4.499 22 3HD1 LEU 3 3HD1 LEU 3 10.166 3.084 5.626 23 1HD2 LEU 3 1HD2 LEU 3 7.452 3.638 5.432 24 2HD2 LEU 3 2HD2 LEU 3 6.857 3.438 7.100 25 3HD2 LEU 3 3HD2 LEU 3 8.401 4.233 6.805 26 H VAL 4 HN VAL 4 7.227 -1.881 9.119 27 HA VAL 4 HA VAL 4 5.875 -3.793 7.293 28 HB VAL 4 HB VAL 4 7.699 -4.389 9.619 29 1HG1 VAL 4 1HG1 VAL 4 5.999 -5.836 10.274 30 2HG1 VAL 4 2HG1 VAL 4 5.313 -5.980 8.710 31 3HG1 VAL 4 3HG1 VAL 4 6.816 -6.873 9.103 32 1HG2 VAL 4 1HG2 VAL 4 8.759 -5.881 8.015 33 2HG2 VAL 4 2HG2 VAL 4 7.501 -5.577 6.811 34 3HG2 VAL 4 3HG2 VAL 4 8.620 -4.283 7.289 35 H LEU 5 HN LEU 5 4.436 -1.997 7.593 36 HA LEU 5 HA LEU 5 2.232 -2.819 8.946 37 1HB LEU 5 2HB LEU 5 1.823 -0.766 10.373 38 2HB LEU 5 3HB LEU 5 2.904 -1.974 11.024 39 HG LEU 5 HG LEU 5 4.571 -0.084 9.589 40 1HD1 LEU 5 1HD1 LEU 5 3.960 2.005 10.852 41 2HD1 LEU 5 2HD1 LEU 5 2.793 1.495 9.626 42 3HD1 LEU 5 3HD1 LEU 5 2.467 1.215 11.329 43 1HD2 LEU 5 1HD2 LEU 5 4.138 -0.335 12.573 44 2HD2 LEU 5 2HD2 LEU 5 5.170 -1.414 11.614 45 3HD2 LEU 5 3HD2 LEU 5 5.571 0.298 11.725 46 H VAL 6 HN VAL 6 0.428 -1.537 8.274 47 HA VAL 6 HA VAL 6 0.722 0.994 7.210 48 HB VAL 6 HB VAL 6 1.570 0.082 5.207 49 1HG1 VAL 6 1HG1 VAL 6 1.185 -2.201 5.278 50 2HG1 VAL 6 2HG1 VAL 6 -0.575 -2.020 5.413 51 3HG1 VAL 6 3HG1 VAL 6 0.237 -1.660 3.894 52 1HG2 VAL 6 1HG2 VAL 6 0.133 0.814 3.523 53 2HG2 VAL 6 2HG2 VAL 6 -1.297 0.535 4.431 54 3HG2 VAL 6 3HG2 VAL 6 -0.188 1.839 4.925 55 H LYS 7 HN LYS 7 -0.777 0.605 9.170 56 HA LYS 7 HA LYS 7 -3.551 0.030 8.175 57 1HB LYS 7 2HB LYS 7 -4.149 -1.313 10.092 58 2HB LYS 7 3HB LYS 7 -2.929 -2.081 9.094 59 1HG LYS 7 2HG LYS 7 -2.098 -0.558 11.563 60 2HG LYS 7 3HG LYS 7 -2.852 -2.142 11.709 61 1HD LYS 7 2HD LYS 7 -1.109 -3.255 10.558 62 2HD LYS 7 3HD LYS 7 -0.433 -1.759 9.939 63 1HE LYS 7 2HE LYS 7 0.931 -2.656 11.713 64 2HE LYS 7 3HE LYS 7 0.294 -1.054 12.139 65 1HZ LYS 7 1HZ LYS 7 0.161 -2.594 13.985 66 2HZ LYS 7 2HZ LYS 7 -1.383 -2.224 13.508 67 3HZ LYS 7 3HZ LYS 7 -0.711 -3.660 13.099 68 H TYR 8 HN TYR 8 -1.909 2.505 8.970 69 HA TYR 8 HA TYR 8 -3.950 3.677 10.817 70 1HB TYR 8 2HB TYR 8 -0.939 3.850 11.040 71 2HB TYR 8 3HB TYR 8 -2.047 4.954 11.811 72 HD1 TYR 8 HD1 TYR 8 -0.761 1.494 11.896 73 HD2 TYR 8 HD2 TYR 8 -3.428 4.357 13.676 74 HE1 TYR 8 HE1 TYR 8 -0.949 0.076 13.908 75 HE2 TYR 8 HE2 TYR 8 -3.645 2.960 15.665 76 HH TYR 8 HH TYR 8 -1.512 0.166 16.221 77 H GLY 9 HN GLY 9 -3.608 3.681 7.864 78 1HA GLY 9 1HA GLY 9 -4.258 5.173 6.272 79 2HA GLY 9 2HA GLY 9 -4.201 6.494 7.420 80 H THR 10 HN THR 10 -1.783 6.980 8.011 81 HA THR 10 HA THR 10 -0.316 7.053 5.400 82 HB THR 10 HB THR 10 0.651 9.174 6.279 83 HG1 THR 10 HG1 THR 10 -0.020 9.248 8.302 84 1HG2 THR 10 1HG2 THR 10 -1.304 10.463 5.341 85 2HG2 THR 10 2HG2 THR 10 -0.959 9.039 4.363 86 3HG2 THR 10 3HG2 THR 10 -2.324 9.017 5.490 87 H ASP 11 HN ASP 11 0.297 4.839 6.926 88 HA ASP 11 HA ASP 11 2.761 5.664 8.277 89 1HB ASP 11 2HB ASP 11 2.224 3.806 9.816 90 2HB ASP 11 3HB ASP 11 0.926 4.965 9.688 91 H HIS 12 HN HIS 12 3.069 4.998 5.446 92 HA HIS 12 HA HIS 12 5.302 3.348 5.524 93 1HB HIS 12 2HB HIS 12 4.627 1.305 4.646 94 2HB HIS 12 3HB HIS 12 3.259 1.633 5.661 95 HD1 HIS 12 HD1 HIS 12 1.998 3.850 3.417 96 HD2 HIS 12 HD2 HIS 12 3.207 -0.152 2.853 97 HE1 HIS 12 HE1 HIS 12 0.932 3.092 1.325 98 HA PRO 13 HA PRO 13 5.713 5.484 1.657 99 1HB PRO 13 2HB PRO 13 7.076 3.866 -0.068 100 2HB PRO 13 3HB PRO 13 7.745 4.496 1.453 101 1HG PRO 13 2HG PRO 13 6.742 1.724 0.865 102 2HG PRO 13 3HG PRO 13 8.147 2.219 1.853 103 1HD PRO 13 2HD PRO 13 5.521 1.631 2.722 104 2HD PRO 13 3HD PRO 13 6.798 2.396 3.717 105 H VAL 14 HN VAL 14 5.165 5.635 -0.826 106 HA VAL 14 HA VAL 14 4.132 4.248 -2.519 107 HB VAL 14 HB VAL 14 1.982 4.621 -0.457 108 1HG1 VAL 14 1HG1 VAL 14 1.374 4.881 -3.425 109 2HG1 VAL 14 2HG1 VAL 14 0.165 4.441 -2.199 110 3HG1 VAL 14 3HG1 VAL 14 0.953 6.005 -2.097 111 1HG2 VAL 14 1HG2 VAL 14 3.130 2.386 -1.757 112 2HG2 VAL 14 2HG2 VAL 14 1.694 2.388 -0.767 113 3HG2 VAL 14 3HG2 VAL 14 1.534 2.532 -2.517 114 H GLU 15 HN GLU 15 3.198 7.065 -0.550 115 HA GLU 15 HA GLU 15 4.019 8.903 -2.800 116 1HB GLU 15 2HB GLU 15 1.147 8.384 -1.853 117 2HB GLU 15 3HB GLU 15 1.617 9.912 -2.557 118 1HG GLU 15 2HG GLU 15 2.687 8.461 -4.439 119 2HG GLU 15 3HG GLU 15 1.651 7.194 -3.872 120 H LYS 16 HN LYS 16 5.191 8.457 -0.349 121 HA LYS 16 HA LYS 16 5.892 11.046 0.075 122 1HB LYS 16 2HB LYS 16 3.579 11.079 1.428 123 2HB LYS 16 3HB LYS 16 4.495 10.249 2.648 124 1HG LYS 16 2HG LYS 16 4.543 12.543 3.121 125 2HG LYS 16 3HG LYS 16 6.178 12.137 2.604 126 1HD LYS 16 2HD LYS 16 5.916 13.237 0.493 127 2HD LYS 16 3HD LYS 16 4.157 13.251 0.604 128 1HE LYS 16 2HE LYS 16 5.913 14.730 2.597 129 2HE LYS 16 3HE LYS 16 5.426 15.443 1.056 130 1HZ LYS 16 1HZ LYS 16 3.770 16.121 2.588 131 2HZ LYS 16 2HZ LYS 16 3.079 14.960 1.720 132 3HZ LYS 16 3HZ LYS 16 3.599 14.630 3.237 133 H LEU 17 HN LEU 17 5.404 8.489 2.548 134 HA LEU 17 HA LEU 17 8.013 8.520 3.500 135 1HB LEU 17 2HB LEU 17 5.692 6.934 3.880 136 2HB LEU 17 3HB LEU 17 6.954 5.763 3.574 137 HG LEU 17 HG LEU 17 6.757 5.995 5.874 138 1HD1 LEU 17 1HD1 LEU 17 8.987 6.646 6.579 139 2HD1 LEU 17 2HD1 LEU 17 9.077 5.820 5.017 140 3HD1 LEU 17 3HD1 LEU 17 9.240 7.584 5.108 141 1HD2 LEU 17 1HD2 LEU 17 6.977 8.023 7.133 142 2HD2 LEU 17 2HD2 LEU 17 7.194 8.982 5.649 143 3HD2 LEU 17 3HD2 LEU 17 5.641 8.174 5.973 144 H LYS 18 HN LYS 18 6.773 7.052 0.611 145 HA LYS 18 HA LYS 18 8.986 5.428 -0.162 146 1HB LYS 18 2HB LYS 18 7.786 4.999 -1.930 147 2HB LYS 18 3HB LYS 18 6.582 6.131 -1.365 148 1HG LYS 18 2HG LYS 18 8.862 7.026 -3.127 149 2HG LYS 18 3HG LYS 18 7.396 6.302 -3.772 150 1HD LYS 18 2HD LYS 18 6.014 8.005 -3.000 151 2HD LYS 18 3HD LYS 18 7.142 8.634 -1.855 152 1HE LYS 18 2HE LYS 18 6.670 9.945 -3.918 153 2HE LYS 18 3HE LYS 18 8.419 9.709 -3.523 154 1HZ LYS 18 1HZ LYS 18 7.934 9.356 -5.935 155 2HZ LYS 18 2HZ LYS 18 8.475 7.979 -5.245 156 3HZ LYS 18 3HZ LYS 18 6.858 8.258 -5.542 157 H ILE 19 HN ILE 19 8.555 8.976 -0.458 158 HA ILE 19 HA ILE 19 10.839 9.281 -2.134 159 HB ILE 19 HB ILE 19 8.654 10.782 -1.270 160 1HG1 ILE 19 2HG1 ILE 19 10.849 12.316 -2.584 161 2HG1 ILE 19 3HG1 ILE 19 10.205 10.893 -3.416 162 1HG2 ILE 19 1HG2 ILE 19 11.024 12.285 -0.149 163 2HG2 ILE 19 2HG2 ILE 19 9.351 12.855 -0.294 164 3HG2 ILE 19 3HG2 ILE 19 9.729 11.514 0.796 165 1HD1 ILE 19 1HD1 ILE 19 8.958 12.859 -4.114 166 2HD1 ILE 19 2HD1 ILE 19 7.901 11.780 -3.171 167 3HD1 ILE 19 3HD1 ILE 19 8.548 13.245 -2.432 168 H ARG 20 HN ARG 20 10.300 8.960 1.288 169 HA ARG 20 HA ARG 20 12.986 9.788 2.070 170 1HB ARG 20 2HB ARG 20 10.718 8.556 3.667 171 2HB ARG 20 3HB ARG 20 12.246 9.106 4.331 172 1HG ARG 20 2HG ARG 20 11.432 11.133 4.608 173 2HG ARG 20 3HG ARG 20 11.259 11.342 2.864 174 1HD ARG 20 2HD ARG 20 8.959 10.759 2.910 175 2HD ARG 20 3HD ARG 20 9.151 9.959 4.486 176 HE ARG 20 HE ARG 20 8.716 11.850 5.534 177 1HH1 ARG 20 2HH2 ARG 20 9.546 12.888 2.178 178 2HH1 ARG 20 1HH2 ARG 20 8.778 14.440 2.431 179 1HH2 ARG 20 2HH1 ARG 20 7.715 13.940 5.683 180 2HH2 ARG 20 1HH1 ARG 20 7.924 15.071 4.409 181 H SER 21 HN SER 21 11.913 6.961 0.574 182 HA SER 21 HA SER 21 14.189 5.632 0.426 183 1HB SER 21 2HB SER 21 14.555 5.184 2.702 184 2HB SER 21 3HB SER 21 12.856 4.801 3.006 185 HG SER 21 HG SER 21 13.179 2.932 1.704 186 H ALA 22 HN ALA 22 13.094 5.397 -1.581 187 HA ALA 22 HA ALA 22 12.152 2.787 -1.914 188 1HB ALA 22 1HB ALA 22 9.951 3.175 -2.967 189 2HB ALA 22 2HB ALA 22 9.878 3.750 -1.321 190 3HB ALA 22 3HB ALA 22 10.064 4.919 -2.660 191 H LYS 23 HN LYS 23 11.793 2.354 -4.277 192 HA LYS 23 HA LYS 23 12.810 4.445 -6.083 193 1HB LYS 23 2HB LYS 23 14.582 2.492 -5.181 194 2HB LYS 23 3HB LYS 23 13.991 1.782 -6.660 195 1HG LYS 23 2HG LYS 23 15.837 3.024 -7.377 196 2HG LYS 23 3HG LYS 23 14.489 4.094 -7.745 197 1HD LYS 23 2HD LYS 23 16.112 5.466 -6.833 198 2HD LYS 23 3HD LYS 23 14.960 5.265 -5.503 199 1HE LYS 23 2HE LYS 23 16.428 3.881 -4.285 200 2HE LYS 23 3HE LYS 23 17.310 3.391 -5.739 201 1HZ LYS 23 1HZ LYS 23 18.670 4.927 -4.496 202 2HZ LYS 23 2HZ LYS 23 18.198 5.667 -5.880 203 3HZ LYS 23 3HZ LYS 23 17.502 6.066 -4.459 204 H ALA 24 HN ALA 24 12.877 3.008 -8.465 205 HA ALA 24 HA ALA 24 9.975 2.763 -8.888 206 1HB ALA 24 1HB ALA 24 11.459 3.777 -10.656 207 2HB ALA 24 2HB ALA 24 12.222 2.185 -10.876 208 3HB ALA 24 3HB ALA 24 10.506 2.397 -11.225 209 H GLU 25 HN GLU 25 12.860 0.697 -8.548 210 HA GLU 25 HA GLU 25 11.542 -1.695 -9.317 211 1HB GLU 25 2HB GLU 25 13.544 -2.886 -8.441 212 2HB GLU 25 3HB GLU 25 13.694 -1.829 -9.832 213 1HG GLU 25 2HG GLU 25 15.476 -1.193 -8.625 214 2HG GLU 25 3HG GLU 25 14.264 -0.011 -8.194 215 H ASP 26 HN ASP 26 10.157 -0.330 -7.204 216 HA ASP 26 HA ASP 26 10.892 -2.032 -4.961 217 1HB ASP 26 2HB ASP 26 11.054 0.554 -5.058 218 2HB ASP 26 3HB ASP 26 9.349 0.514 -4.603 219 H LYS 27 HN LYS 27 9.059 -2.433 -3.267 220 HA LYS 27 HA LYS 27 6.564 -3.233 -4.705 221 1HB LYS 27 2HB LYS 27 8.340 -4.942 -2.962 222 2HB LYS 27 3HB LYS 27 6.726 -5.402 -3.553 223 1HG LYS 27 2HG LYS 27 7.585 -6.259 -5.398 224 2HG LYS 27 3HG LYS 27 8.356 -4.737 -5.836 225 1HD LYS 27 2HD LYS 27 9.539 -6.872 -3.996 226 2HD LYS 27 3HD LYS 27 9.900 -6.679 -5.721 227 1HE LYS 27 2HE LYS 27 10.664 -4.306 -5.210 228 2HE LYS 27 3HE LYS 27 10.519 -4.704 -3.486 229 1HZ LYS 27 1HZ LYS 27 12.243 -6.112 -5.422 230 2HZ LYS 27 2HZ LYS 27 12.742 -4.989 -4.335 231 3HZ LYS 27 3HZ LYS 27 12.149 -6.465 -3.833 232 H ILE 28 HN ILE 28 4.726 -2.724 -3.510 233 HA ILE 28 HA ILE 28 4.887 -2.541 -0.628 234 HB ILE 28 HB ILE 28 3.953 -0.109 -2.168 235 1HG1 ILE 28 2HG1 ILE 28 6.714 -0.055 -0.872 236 2HG1 ILE 28 3HG1 ILE 28 6.504 -0.346 -2.600 237 1HG2 ILE 28 1HG2 ILE 28 3.174 -0.260 0.114 238 2HG2 ILE 28 2HG2 ILE 28 4.777 -0.749 0.724 239 3HG2 ILE 28 3HG2 ILE 28 4.471 0.890 0.197 240 1HD1 ILE 28 1HD1 ILE 28 6.931 1.978 -2.260 241 2HD1 ILE 28 2HD1 ILE 28 5.294 1.716 -2.907 242 3HD1 ILE 28 3HD1 ILE 28 5.518 2.114 -1.200 243 H VAL 29 HN VAL 29 2.691 -2.149 0.244 244 HA VAL 29 HA VAL 29 0.383 -2.448 -1.461 245 HB VAL 29 HB VAL 29 1.247 -4.641 0.455 246 1HG1 VAL 29 1HG1 VAL 29 -1.590 -4.212 -0.625 247 2HG1 VAL 29 2HG1 VAL 29 -1.007 -5.673 0.199 248 3HG1 VAL 29 3HG1 VAL 29 -1.088 -4.187 1.091 249 1HG2 VAL 29 1HG2 VAL 29 0.430 -4.527 -2.454 250 2HG2 VAL 29 2HG2 VAL 29 1.940 -5.131 -1.745 251 3HG2 VAL 29 3HG2 VAL 29 0.431 -6.041 -1.564 252 H LEU 30 HN LEU 30 -1.566 -1.765 -0.284 253 HA LEU 30 HA LEU 30 -1.110 -0.589 2.421 254 1HB LEU 30 2HB LEU 30 -3.610 0.173 1.102 255 2HB LEU 30 3HB LEU 30 -2.442 1.147 1.861 256 HG LEU 30 HG LEU 30 -2.300 0.228 -1.034 257 1HD1 LEU 30 1HD1 LEU 30 -4.243 1.619 -0.706 258 2HD1 LEU 30 2HD1 LEU 30 -3.339 2.786 0.234 259 3HD1 LEU 30 3HD1 LEU 30 -2.999 2.592 -1.501 260 1HD2 LEU 30 1HD2 LEU 30 -0.084 0.822 -0.299 261 2HD2 LEU 30 2HD2 LEU 30 -0.703 2.273 -1.116 262 3HD2 LEU 30 3HD2 LEU 30 -0.729 2.162 0.644 263 H ILE 31 HN ILE 31 -2.621 -0.977 4.144 264 HA ILE 31 HA ILE 31 -4.950 -2.654 3.476 265 HB ILE 31 HB ILE 31 -4.487 -4.321 4.843 266 1HG1 ILE 31 2HG1 ILE 31 -2.636 -2.494 6.349 267 2HG1 ILE 31 3HG1 ILE 31 -4.176 -3.004 6.851 268 1HG2 ILE 31 1HG2 ILE 31 -2.749 -4.387 3.041 269 2HG2 ILE 31 2HG2 ILE 31 -1.586 -3.739 4.206 270 3HG2 ILE 31 3HG2 ILE 31 -2.361 -5.311 4.472 271 1HD1 ILE 31 1HD1 ILE 31 -3.539 -5.291 7.095 272 2HD1 ILE 31 2HD1 ILE 31 -1.873 -4.876 6.618 273 3HD1 ILE 31 3HD1 ILE 31 -2.554 -4.165 8.101 274 H GLN 32 HN GLN 32 -6.314 -2.895 5.484 275 HA GLN 32 HA GLN 32 -7.871 -1.853 6.726 276 1HB GLN 32 2HB GLN 32 -5.361 -1.218 8.234 277 2HB GLN 32 3HB GLN 32 -6.965 -1.281 8.946 278 1HG GLN 32 2HG GLN 32 -6.253 -3.773 7.480 279 2HG GLN 32 3HG GLN 32 -5.137 -3.378 8.748 280 1HE2 GLN 32 1HE2 GLN 32 -8.323 -4.428 7.924 281 2HE2 GLN 32 2HE2 GLN 32 -8.905 -4.786 9.533 282 H ASN 33 HN ASN 33 -6.086 0.610 8.269 283 HA ASN 33 HA ASN 33 -7.686 2.744 7.001 284 1HB ASN 33 2HB ASN 33 -5.414 2.884 9.042 285 2HB ASN 33 3HB ASN 33 -6.365 4.228 8.491 286 1HD2 ASN 33 1HD2 ASN 33 -6.213 1.675 10.799 287 2HD2 ASN 33 2HD2 ASN 33 -7.808 1.883 11.448 288 H GLY 34 HN GLY 34 -4.463 1.409 6.644 289 1HA GLY 34 1HA GLY 34 -2.925 3.351 5.283 290 2HA GLY 34 2HA GLY 34 -2.902 1.622 5.174 291 H VAL 35 HN VAL 35 -5.862 1.563 4.285 292 HA VAL 35 HA VAL 35 -5.565 1.677 1.522 293 HB VAL 35 HB VAL 35 -7.919 1.848 1.393 294 1HG1 VAL 35 1HG1 VAL 35 -6.778 -0.171 3.198 295 2HG1 VAL 35 2HG1 VAL 35 -8.530 0.009 3.331 296 3HG1 VAL 35 3HG1 VAL 35 -7.830 -0.333 1.779 297 1HG2 VAL 35 1HG2 VAL 35 -8.579 3.522 2.936 298 2HG2 VAL 35 2HG2 VAL 35 -9.407 2.033 3.400 299 3HG2 VAL 35 3HG2 VAL 35 -7.997 2.579 4.321 300 H PHE 36 HN PHE 36 -6.035 4.460 3.771 301 HA PHE 36 HA PHE 36 -6.796 6.486 2.074 302 1HB PHE 36 2HB PHE 36 -5.145 6.295 4.578 303 2HB PHE 36 3HB PHE 36 -5.216 7.800 3.724 304 HD1 PHE 36 HD1 PHE 36 -6.667 9.355 4.555 305 HD2 PHE 36 HD2 PHE 36 -7.880 5.224 4.691 306 HE1 PHE 36 HE1 PHE 36 -8.840 10.021 5.529 307 HE2 PHE 36 HE2 PHE 36 -10.007 5.902 5.763 308 HZ PHE 36 HZ PHE 36 -10.499 8.290 6.179 309 H TRP 37 HN TRP 37 -3.629 4.822 1.939 310 HA TRP 37 HA TRP 37 -2.336 7.051 0.660 311 1HB TRP 37 2HB TRP 37 -1.669 4.125 0.569 312 2HB TRP 37 3HB TRP 37 -0.743 5.367 -0.247 313 HD1 TRP 37 HD1 TRP 37 -1.344 3.914 3.200 314 HE1 TRP 37 HE1 TRP 37 0.281 4.865 4.840 315 HE3 TRP 37 HE3 TRP 37 0.735 7.523 0.241 316 HZ2 TRP 37 HZ2 TRP 37 2.331 7.012 4.904 317 HZ3 TRP 37 HZ3 TRP 37 2.288 9.180 1.217 318 HH2 TRP 37 HH2 TRP 37 3.142 8.878 3.561 319 H ALA 38 HN ALA 38 -4.790 4.891 -0.556 320 HA ALA 38 HA ALA 38 -3.968 5.238 -3.402 321 1HB ALA 38 1HB ALA 38 -4.971 3.028 -2.561 322 2HB ALA 38 2HB ALA 38 -6.450 3.937 -2.186 323 3HB ALA 38 3HB ALA 38 -5.896 3.790 -3.862 324 H LEU 39 HN LEU 39 -4.312 7.567 -1.988 325 HA LEU 39 HA LEU 39 -5.935 9.176 -3.555 326 1HB LEU 39 2HB LEU 39 -7.752 9.695 -2.077 327 2HB LEU 39 3HB LEU 39 -7.866 8.148 -2.876 328 HG LEU 39 HG LEU 39 -7.159 8.475 0.054 329 1HD1 LEU 39 1HD1 LEU 39 -9.523 9.188 -0.784 330 2HD1 LEU 39 2HD1 LEU 39 -9.722 7.495 -1.296 331 3HD1 LEU 39 3HD1 LEU 39 -9.495 7.911 0.438 332 1HD2 LEU 39 1HD2 LEU 39 -7.996 6.125 0.301 333 2HD2 LEU 39 2HD2 LEU 39 -7.920 5.963 -1.460 334 3HD2 LEU 39 3HD2 LEU 39 -6.455 6.284 -0.498 335 H GLU 40 HN GLU 40 -3.726 9.505 -3.206 336 HA GLU 40 HA GLU 40 -3.026 11.487 -1.110 337 1HB GLU 40 2HB GLU 40 -1.448 9.198 -2.355 338 2HB GLU 40 3HB GLU 40 -0.601 10.560 -1.610 339 1HG GLU 40 2HG GLU 40 -2.720 8.948 -0.218 340 2HG GLU 40 3HG GLU 40 -0.999 8.598 -0.151 341 H GLU 41 HN GLU 41 -0.997 12.706 -1.857 342 HA GLU 41 HA GLU 41 -1.473 13.800 -4.561 343 1HB GLU 41 2HB GLU 41 -1.246 16.062 -3.410 344 2HB GLU 41 3HB GLU 41 -2.727 15.142 -3.118 345 1HG GLU 41 2HG GLU 41 -1.893 14.393 -0.912 346 2HG GLU 41 3HG GLU 41 -0.386 15.263 -1.173 347 H LEU 42 HN LEU 42 0.325 12.131 -4.698 348 HA LEU 42 HA LEU 42 2.830 13.601 -4.986 349 1HB LEU 42 2HB LEU 42 2.240 12.116 -2.690 350 2HB LEU 42 3HB LEU 42 3.236 11.013 -3.622 351 HG LEU 42 HG LEU 42 4.681 12.157 -2.139 352 1HD1 LEU 42 1HD1 LEU 42 5.088 13.529 -4.800 353 2HD1 LEU 42 2HD1 LEU 42 6.234 13.418 -3.459 354 3HD1 LEU 42 3HD1 LEU 42 5.719 11.941 -4.300 355 1HD2 LEU 42 1HD2 LEU 42 3.135 14.022 -1.620 356 2HD2 LEU 42 2HD2 LEU 42 4.833 14.490 -1.797 357 3HD2 LEU 42 3HD2 LEU 42 3.691 14.841 -3.107 358 H GLU 43 HN GLU 43 4.001 10.683 -5.164 359 HA GLU 43 HA GLU 43 2.822 9.557 -7.525 360 1HB GLU 43 2HB GLU 43 5.035 9.769 -8.777 361 2HB GLU 43 3HB GLU 43 4.063 11.229 -8.701 362 1HG GLU 43 2HG GLU 43 5.788 12.370 -7.812 363 2HG GLU 43 3HG GLU 43 5.886 11.228 -6.479 364 H THR 44 HN THR 44 3.909 7.552 -7.953 365 HA THR 44 HA THR 44 6.131 6.486 -6.277 366 HB THR 44 HB THR 44 4.218 5.548 -5.226 367 HG1 THR 44 HG1 THR 44 4.700 3.392 -5.655 368 1HG2 THR 44 1HG2 THR 44 2.439 4.490 -6.165 369 2HG2 THR 44 2HG2 THR 44 2.719 5.617 -7.458 370 3HG2 THR 44 3HG2 THR 44 3.366 3.965 -7.600 371 HA PRO 45 HA PRO 45 6.679 4.806 -10.405 372 1HB PRO 45 2HB PRO 45 9.316 4.346 -10.317 373 2HB PRO 45 3HB PRO 45 8.685 5.971 -10.612 374 1HG PRO 45 2HG PRO 45 9.851 4.830 -8.075 375 2HG PRO 45 3HG PRO 45 9.983 6.494 -8.733 376 1HD PRO 45 2HD PRO 45 8.144 5.518 -6.823 377 2HD PRO 45 3HD PRO 45 8.037 7.105 -7.664 378 H ALA 46 HN ALA 46 6.850 3.504 -7.229 379 HA ALA 46 HA ALA 46 7.870 0.860 -7.883 380 1HB ALA 46 1HB ALA 46 6.272 1.824 -5.463 381 2HB ALA 46 2HB ALA 46 7.238 0.377 -5.556 382 3HB ALA 46 3HB ALA 46 8.034 1.952 -5.610 383 H LYS 47 HN LYS 47 6.275 -1.149 -7.123 384 HA LYS 47 HA LYS 47 3.707 -0.709 -8.537 385 1HB LYS 47 2HB LYS 47 3.334 -3.046 -7.545 386 2HB LYS 47 3HB LYS 47 4.200 -2.891 -9.070 387 1HG LYS 47 2HG LYS 47 6.284 -3.365 -8.024 388 2HG LYS 47 3HG LYS 47 5.628 -2.985 -6.429 389 1HD LYS 47 2HD LYS 47 5.912 -5.340 -6.481 390 2HD LYS 47 3HD LYS 47 4.201 -4.937 -6.541 391 1HE LYS 47 2HE LYS 47 4.277 -6.591 -8.185 392 2HE LYS 47 3HE LYS 47 4.573 -5.175 -9.183 393 1HZ LYS 47 1HZ LYS 47 6.127 -6.890 -9.712 394 2HZ LYS 47 2HZ LYS 47 6.984 -5.713 -8.965 395 3HZ LYS 47 3HZ LYS 47 6.603 -7.086 -8.168 396 H VAL 48 HN VAL 48 1.804 -0.313 -7.301 397 HA VAL 48 HA VAL 48 1.883 -0.458 -4.462 398 HB VAL 48 HB VAL 48 0.660 1.694 -4.744 399 1HG1 VAL 48 1HG1 VAL 48 2.631 3.043 -4.611 400 2HG1 VAL 48 2HG1 VAL 48 3.151 1.435 -4.104 401 3HG1 VAL 48 3HG1 VAL 48 3.506 1.976 -5.757 402 1HG2 VAL 48 1HG2 VAL 48 1.683 1.827 -7.556 403 2HG2 VAL 48 2HG2 VAL 48 0.002 1.597 -7.007 404 3HG2 VAL 48 3HG2 VAL 48 0.820 3.094 -6.651 405 H TYR 49 HN TYR 49 0.007 -1.150 -3.822 406 HA TYR 49 HA TYR 49 -2.238 -1.793 -5.522 407 1HB TYR 49 2HB TYR 49 -0.440 -3.888 -4.300 408 2HB TYR 49 3HB TYR 49 -2.034 -4.206 -4.953 409 HD1 TYR 49 HD1 TYR 49 -2.418 -3.954 -7.444 410 HD2 TYR 49 HD2 TYR 49 1.585 -4.102 -5.802 411 HE1 TYR 49 HE1 TYR 49 -1.527 -4.454 -9.681 412 HE2 TYR 49 HE2 TYR 49 2.389 -4.871 -7.980 413 HH TYR 49 HH TYR 49 1.791 -5.417 -10.293 414 H ALA 50 HN ALA 50 -3.985 -2.626 -4.016 415 HA ALA 50 HA ALA 50 -3.661 -1.739 -1.137 416 1HB ALA 50 1HB ALA 50 -5.992 -0.738 -1.741 417 2HB ALA 50 2HB ALA 50 -4.537 0.102 -2.333 418 3HB ALA 50 3HB ALA 50 -5.477 -0.913 -3.423 419 H ILE 51 HN ILE 51 -5.093 -2.978 0.250 420 HA ILE 51 HA ILE 51 -6.262 -5.460 -0.814 421 HB ILE 51 HB ILE 51 -5.951 -4.317 2.009 422 1HG1 ILE 51 2HG1 ILE 51 -3.834 -5.026 1.263 423 2HG1 ILE 51 3HG1 ILE 51 -4.486 -6.261 2.343 424 1HG2 ILE 51 1HG2 ILE 51 -6.925 -6.238 2.886 425 2HG2 ILE 51 2HG2 ILE 51 -8.037 -5.833 1.601 426 3HG2 ILE 51 3HG2 ILE 51 -6.896 -7.143 1.348 427 1HD1 ILE 51 1HD1 ILE 51 -3.413 -7.416 0.593 428 2HD1 ILE 51 2HD1 ILE 51 -5.124 -7.533 0.155 429 3HD1 ILE 51 3HD1 ILE 51 -4.078 -6.359 -0.670 430 H LYS 52 HN LYS 52 -7.929 -5.353 -1.849 431 HA LYS 52 HA LYS 52 -9.947 -3.449 -1.675 432 1HB LYS 52 2HB LYS 52 -9.375 -5.111 -3.517 433 2HB LYS 52 3HB LYS 52 -10.300 -6.332 -2.622 434 1HG LYS 52 2HG LYS 52 -12.320 -5.144 -2.901 435 2HG LYS 52 3HG LYS 52 -11.503 -3.612 -3.231 436 1HD LYS 52 2HD LYS 52 -12.200 -4.143 -5.319 437 2HD LYS 52 3HD LYS 52 -10.558 -4.760 -5.368 438 1HE LYS 52 2HE LYS 52 -11.342 -7.054 -5.036 439 2HE LYS 52 3HE LYS 52 -12.992 -6.465 -4.731 440 1HZ LYS 52 1HZ LYS 52 -13.016 -7.091 -6.953 441 2HZ LYS 52 2HZ LYS 52 -12.890 -5.496 -7.008 442 3HZ LYS 52 3HZ LYS 52 -11.558 -6.396 -7.329 443 H ASP 53 HN ASP 53 -10.014 -6.705 -0.155 444 HA ASP 53 HA ASP 53 -12.474 -6.448 1.149 445 1HB ASP 53 2HB ASP 53 -9.948 -7.870 1.954 446 2HB ASP 53 3HB ASP 53 -11.200 -7.666 3.167 447 H ASP 54 HN ASP 54 -9.293 -5.214 2.488 448 HA ASP 54 HA ASP 54 -10.465 -4.000 4.718 449 1HB ASP 54 2HB ASP 54 -7.877 -3.691 3.202 450 2HB ASP 54 3HB ASP 54 -8.335 -2.440 4.353 451 H PHE 55 HN PHE 55 -9.724 -2.493 1.501 452 HA PHE 55 HA PHE 55 -10.634 0.072 2.092 453 1HB PHE 55 2HB PHE 55 -9.523 -0.958 -0.039 454 2HB PHE 55 3HB PHE 55 -11.153 -1.357 -0.546 455 HD1 PHE 55 HD1 PHE 55 -9.906 1.798 1.096 456 HD2 PHE 55 HD2 PHE 55 -11.488 0.017 -2.460 457 HE1 PHE 55 HE1 PHE 55 -9.686 3.969 -0.072 458 HE2 PHE 55 HE2 PHE 55 -11.571 2.236 -3.515 459 HZ PHE 55 HZ PHE 55 -10.587 4.217 -2.364 460 H LEU 56 HN LEU 56 -12.496 -2.738 1.040 461 HA LEU 56 HA LEU 56 -15.098 -1.497 0.963 462 1HB LEU 56 2HB LEU 56 -14.187 -4.387 1.327 463 2HB LEU 56 3HB LEU 56 -15.841 -3.917 1.018 464 HG LEU 56 HG LEU 56 -13.545 -3.253 -0.900 465 1HD1 LEU 56 1HD1 LEU 56 -14.515 -5.152 -2.264 466 2HD1 LEU 56 2HD1 LEU 56 -13.820 -5.705 -0.736 467 3HD1 LEU 56 3HD1 LEU 56 -15.581 -5.561 -0.909 468 1HD2 LEU 56 1HD2 LEU 56 -15.523 -2.977 -2.492 469 2HD2 LEU 56 2HD2 LEU 56 -16.598 -3.186 -1.106 470 3HD2 LEU 56 3HD2 LEU 56 -15.529 -1.789 -1.167 471 H ALA 57 HN ALA 57 -13.199 -3.112 3.482 472 HA ALA 57 HA ALA 57 -15.314 -2.964 5.443 473 1HB ALA 57 1HB ALA 57 -12.354 -3.554 5.832 474 2HB ALA 57 2HB ALA 57 -13.677 -3.939 6.938 475 3HB ALA 57 3HB ALA 57 -13.568 -4.770 5.386 476 H ARG 58 HN ARG 58 -13.551 -0.574 4.004 477 HA ARG 58 HA ARG 58 -13.642 1.162 6.459 478 1HB ARG 58 2HB ARG 58 -11.321 0.329 5.089 479 2HB ARG 58 3HB ARG 58 -11.578 1.877 4.418 480 1HG ARG 58 2HG ARG 58 -11.553 1.452 7.441 481 2HG ARG 58 3HG ARG 58 -10.080 1.537 6.498 482 1HD ARG 58 2HD ARG 58 -10.294 3.697 7.255 483 2HD ARG 58 3HD ARG 58 -10.819 3.767 5.589 484 HE ARG 58 HE ARG 58 -12.638 3.586 7.998 485 1HH1 ARG 58 2HH2 ARG 58 -12.448 4.841 4.729 486 2HH1 ARG 58 1HH2 ARG 58 -13.532 6.123 4.999 487 1HH2 ARG 58 2HH1 ARG 58 -14.334 5.107 8.246 488 2HH2 ARG 58 1HH1 ARG 58 -14.620 6.260 6.988 489 H GLY 59 HN GLY 59 -15.762 0.806 4.530 490 1HA GLY 59 1HA GLY 59 -17.235 2.110 3.339 491 2HA GLY 59 2HA GLY 59 -16.611 3.412 4.363 492 H TYR 60 HN TYR 60 -15.426 1.570 1.426 493 HA TYR 60 HA TYR 60 -15.345 4.057 -0.104 494 1HB TYR 60 2HB TYR 60 -13.263 1.848 0.204 495 2HB TYR 60 3HB TYR 60 -13.326 2.940 -1.141 496 HD1 TYR 60 HD1 TYR 60 -12.868 5.395 -0.858 497 HD2 TYR 60 HD2 TYR 60 -12.252 2.520 2.304 498 HE1 TYR 60 HE1 TYR 60 -11.546 7.045 0.359 499 HE2 TYR 60 HE2 TYR 60 -10.791 4.150 3.471 500 HH TYR 60 HH TYR 60 -10.181 7.425 2.189 501 H SER 61 HN SER 61 -15.229 3.358 -2.518 502 HA SER 61 HA SER 61 -16.566 0.757 -2.974 503 1HB SER 61 2HB SER 61 -17.951 2.900 -3.370 504 2HB SER 61 3HB SER 61 -16.771 3.297 -4.633 505 HG SER 61 HG SER 61 -18.518 1.073 -4.499 506 H GLU 62 HN GLU 62 -15.879 -0.149 -5.108 507 HA GLU 62 HA GLU 62 -13.030 -0.090 -5.333 508 1HB GLU 62 2HB GLU 62 -14.914 -1.153 -7.458 509 2HB GLU 62 3HB GLU 62 -13.226 -1.577 -7.200 510 1HG GLU 62 2HG GLU 62 -13.938 -2.513 -4.926 511 2HG GLU 62 3HG GLU 62 -15.605 -2.293 -5.448 512 H GLU 63 HN GLU 63 -15.195 2.218 -6.381 513 HA GLU 63 HA GLU 63 -13.748 2.908 -8.852 514 1HB GLU 63 2HB GLU 63 -16.418 2.778 -8.454 515 2HB GLU 63 3HB GLU 63 -16.156 4.387 -7.789 516 1HG GLU 63 2HG GLU 63 -16.719 4.774 -10.014 517 2HG GLU 63 3HG GLU 63 -14.963 4.895 -10.050 518 H ASP 64 HN ASP 64 -13.672 3.580 -5.461 519 HA ASP 64 HA ASP 64 -13.377 6.469 -5.589 520 1HB ASP 64 2HB ASP 64 -12.903 4.363 -3.428 521 2HB ASP 64 3HB ASP 64 -12.431 6.027 -3.230 522 H SER 65 HN SER 65 -11.218 3.594 -5.540 523 HA SER 65 HA SER 65 -9.137 5.177 -4.346 524 1HB SER 65 2HB SER 65 -8.400 3.208 -3.675 525 2HB SER 65 3HB SER 65 -9.712 2.415 -4.501 526 HG SER 65 HG SER 65 -8.529 2.022 -6.226 527 H LYS 66 HN LYS 66 -6.973 5.493 -5.261 528 HA LYS 66 HA LYS 66 -6.940 5.573 -8.260 529 1HB LYS 66 2HB LYS 66 -5.751 7.529 -8.153 530 2HB LYS 66 3HB LYS 66 -6.965 7.705 -6.865 531 1HG LYS 66 2HG LYS 66 -5.503 7.983 -5.269 532 2HG LYS 66 3HG LYS 66 -4.412 6.702 -5.807 533 1HD LYS 66 2HD LYS 66 -3.551 8.207 -7.569 534 2HD LYS 66 3HD LYS 66 -4.644 9.499 -6.998 535 1HE LYS 66 2HE LYS 66 -3.500 9.519 -4.804 536 2HE LYS 66 3HE LYS 66 -2.452 8.180 -5.320 537 1HZ LYS 66 1HZ LYS 66 -1.253 10.103 -5.637 538 2HZ LYS 66 2HZ LYS 66 -1.735 9.698 -7.159 539 3HZ LYS 66 3HZ LYS 66 -2.494 10.943 -6.301 540 H VAL 67 HN VAL 67 -6.291 3.184 -6.723 541 HA VAL 67 HA VAL 67 -3.726 2.597 -8.076 542 HB VAL 67 HB VAL 67 -2.593 1.760 -6.237 543 1HG1 VAL 67 1HG1 VAL 67 -2.324 3.515 -4.633 544 2HG1 VAL 67 2HG1 VAL 67 -2.444 4.118 -6.293 545 3HG1 VAL 67 3HG1 VAL 67 -3.820 4.287 -5.209 546 1HG2 VAL 67 1HG2 VAL 67 -3.635 1.651 -3.914 547 2HG2 VAL 67 2HG2 VAL 67 -5.198 1.699 -4.749 548 3HG2 VAL 67 3HG2 VAL 67 -4.027 0.411 -5.085 549 HA PRO 68 HA PRO 68 -6.101 -1.122 -8.716 550 1HB PRO 68 2HB PRO 68 -4.191 -3.106 -8.790 551 2HB PRO 68 3HB PRO 68 -4.422 -1.859 -10.069 552 1HG PRO 68 2HG PRO 68 -2.397 -1.880 -7.842 553 2HG PRO 68 3HG PRO 68 -2.148 -1.458 -9.571 554 1HD PRO 68 2HD PRO 68 -2.467 0.265 -7.523 555 2HD PRO 68 3HD PRO 68 -2.971 0.645 -9.184 556 H LEU 69 HN LEU 69 -7.333 -2.372 -7.552 557 HA LEU 69 HA LEU 69 -6.783 -2.737 -4.649 558 1HB LEU 69 2HB LEU 69 -9.419 -2.724 -6.218 559 2HB LEU 69 3HB LEU 69 -9.268 -2.869 -4.476 560 HG LEU 69 HG LEU 69 -8.492 -0.332 -5.854 561 1HD1 LEU 69 1HD1 LEU 69 -10.752 0.433 -5.086 562 2HD1 LEU 69 2HD1 LEU 69 -10.872 -0.837 -6.305 563 3HD1 LEU 69 3HD1 LEU 69 -11.143 -1.227 -4.596 564 1HD2 LEU 69 1HD2 LEU 69 -9.222 -1.075 -2.965 565 2HD2 LEU 69 2HD2 LEU 69 -7.589 -0.776 -3.567 566 3HD2 LEU 69 3HD2 LEU 69 -8.758 0.537 -3.546 567 H ILE 70 HN ILE 70 -5.848 -4.552 -4.396 568 HA ILE 70 HA ILE 70 -6.493 -6.897 -6.076 569 HB ILE 70 HB ILE 70 -4.329 -7.680 -5.549 570 1HG1 ILE 70 2HG1 ILE 70 -3.819 -5.384 -3.638 571 2HG1 ILE 70 3HG1 ILE 70 -4.201 -7.055 -3.156 572 1HG2 ILE 70 1HG2 ILE 70 -2.931 -6.088 -6.632 573 2HG2 ILE 70 2HG2 ILE 70 -4.544 -5.941 -7.311 574 3HG2 ILE 70 3HG2 ILE 70 -3.985 -4.726 -6.147 575 1HD1 ILE 70 1HD1 ILE 70 -2.191 -7.890 -4.205 576 2HD1 ILE 70 2HD1 ILE 70 -1.718 -6.287 -4.726 577 3HD1 ILE 70 3HD1 ILE 70 -1.818 -6.647 -2.993 578 H THR 71 HN THR 71 -6.174 -9.054 -4.645 579 HA THR 71 HA THR 71 -7.698 -8.648 -2.132 580 HB THR 71 HB THR 71 -7.816 -11.207 -2.289 581 HG1 THR 71 HG1 THR 71 -7.554 -12.111 -4.285 582 1HG2 THR 71 1HG2 THR 71 -9.747 -9.739 -2.643 583 2HG2 THR 71 2HG2 THR 71 -9.251 -9.407 -4.310 584 3HG2 THR 71 3HG2 THR 71 -9.791 -11.036 -3.844 585 H TYR 72 HN TYR 72 -7.014 -10.125 -0.349 586 HA TYR 72 HA TYR 72 -4.413 -9.638 0.539 587 1HB TYR 72 2HB TYR 72 -6.409 -11.810 1.253 588 2HB TYR 72 3HB TYR 72 -4.879 -11.625 2.077 589 HD1 TYR 72 HD1 TYR 72 -8.269 -10.770 2.300 590 HD2 TYR 72 HD2 TYR 72 -4.355 -9.038 2.841 591 HE1 TYR 72 HE1 TYR 72 -9.179 -9.240 4.048 592 HE2 TYR 72 HE2 TYR 72 -5.240 -7.553 4.596 593 HH TYR 72 HH TYR 72 -7.326 -6.607 5.438 594 H SER 73 HN SER 73 -5.544 -12.637 -1.211 595 HA SER 73 HA SER 73 -3.073 -13.956 -0.967 596 1HB SER 73 2HB SER 73 -4.843 -14.242 -3.363 597 2HB SER 73 3HB SER 73 -3.952 -15.487 -2.484 598 HG SER 73 HG SER 73 -5.515 -15.318 -0.802 599 H GLU 74 HN GLU 74 -3.965 -11.315 -3.150 600 HA GLU 74 HA GLU 74 -1.796 -11.819 -5.070 601 1HB GLU 74 2HB GLU 74 -3.743 -9.553 -4.717 602 2HB GLU 74 3HB GLU 74 -2.500 -9.625 -5.971 603 1HG GLU 74 2HG GLU 74 -3.747 -12.093 -6.253 604 2HG GLU 74 3HG GLU 74 -5.084 -11.092 -5.724 605 H PHE 75 HN PHE 75 -2.420 -9.848 -2.158 606 HA PHE 75 HA PHE 75 0.033 -8.388 -2.231 607 1HB PHE 75 2HB PHE 75 -1.544 -7.587 -0.751 608 2HB PHE 75 3HB PHE 75 -1.950 -9.148 -0.118 609 HD1 PHE 75 HD1 PHE 75 -1.721 -9.115 2.177 610 HD2 PHE 75 HD2 PHE 75 1.437 -7.418 -0.234 611 HE1 PHE 75 HE1 PHE 75 -0.455 -8.523 4.216 612 HE2 PHE 75 HE2 PHE 75 2.636 -6.756 1.809 613 HZ PHE 75 HZ PHE 75 1.697 -7.329 4.049 614 H ILE 76 HN ILE 76 -0.816 -11.605 -0.915 615 HA ILE 76 HA ILE 76 1.670 -12.084 0.354 616 HB ILE 76 HB ILE 76 -0.268 -14.103 -0.896 617 1HG1 ILE 76 2HG1 ILE 76 -1.484 -13.039 0.798 618 2HG1 ILE 76 3HG1 ILE 76 -0.890 -14.500 1.540 619 1HG2 ILE 76 1HG2 ILE 76 2.047 -14.542 1.036 620 2HG2 ILE 76 2HG2 ILE 76 0.810 -15.759 0.631 621 3HG2 ILE 76 3HG2 ILE 76 1.909 -15.168 -0.611 622 1HD1 ILE 76 1HD1 ILE 76 0.151 -11.661 1.970 623 2HD1 ILE 76 2HD1 ILE 76 -0.722 -12.676 3.117 624 3HD1 ILE 76 3HD1 ILE 76 0.933 -13.115 2.634 625 H ASP 77 HN ASP 77 0.739 -12.736 -3.061 626 HA ASP 77 HA ASP 77 3.110 -14.029 -3.875 627 1HB ASP 77 2HB ASP 77 1.392 -14.037 -5.395 628 2HB ASP 77 3HB ASP 77 1.027 -12.325 -5.231 629 H LEU 78 HN LEU 78 2.494 -10.570 -3.367 630 HA LEU 78 HA LEU 78 4.888 -9.750 -4.733 631 1HB LEU 78 2HB LEU 78 3.214 -8.314 -2.614 632 2HB LEU 78 3HB LEU 78 4.507 -7.559 -3.534 633 HG LEU 78 HG LEU 78 2.014 -8.769 -4.813 634 1HD1 LEU 78 1HD1 LEU 78 1.315 -6.442 -5.144 635 2HD1 LEU 78 2HD1 LEU 78 1.429 -6.876 -3.449 636 3HD1 LEU 78 3HD1 LEU 78 2.708 -5.870 -4.179 637 1HD2 LEU 78 1HD2 LEU 78 2.827 -7.359 -6.760 638 2HD2 LEU 78 2HD2 LEU 78 4.376 -7.186 -5.869 639 3HD2 LEU 78 3HD2 LEU 78 3.810 -8.780 -6.386 640 H LEU 79 HN LEU 79 4.250 -10.992 -1.553 641 HA LEU 79 HA LEU 79 6.698 -9.964 -0.320 642 1HB LEU 79 2HB LEU 79 4.713 -12.039 0.697 643 2HB LEU 79 3HB LEU 79 6.061 -11.343 1.590 644 HG LEU 79 HG LEU 79 3.583 -9.874 0.583 645 1HD1 LEU 79 1HD1 LEU 79 3.206 -11.348 2.498 646 2HD1 LEU 79 2HD1 LEU 79 4.553 -10.578 3.384 647 3HD1 LEU 79 3HD1 LEU 79 3.088 -9.641 2.961 648 1HD2 LEU 79 1HD2 LEU 79 5.322 -8.287 0.449 649 2HD2 LEU 79 2HD2 LEU 79 4.584 -7.981 2.019 650 3HD2 LEU 79 3HD2 LEU 79 6.129 -8.876 1.899 651 H GLU 80 HN GLU 80 5.748 -13.319 -0.102 652 HA GLU 80 HA GLU 80 7.165 -15.146 0.002 653 1HB GLU 80 2HB GLU 80 6.936 -14.460 -2.954 654 2HB GLU 80 3HB GLU 80 7.285 -16.062 -2.296 655 1HG GLU 80 2HG GLU 80 4.754 -14.473 -1.816 656 2HG GLU 80 3HG GLU 80 4.883 -15.747 -2.986 657 H GLY 81 HN GLY 81 8.993 -13.774 1.062 658 1HA GLY 81 1HA GLY 81 11.363 -14.090 1.179 659 2HA GLY 81 2HA GLY 81 11.476 -13.959 -0.580 660 H GLU 82 HN GLU 82 9.391 -11.608 -0.181 661 HA GLU 82 HA GLU 82 11.493 -9.554 0.068 662 1HB GLU 82 2HB GLU 82 8.997 -9.458 -1.569 663 2HB GLU 82 3HB GLU 82 10.129 -8.148 -1.361 664 1HG GLU 82 2HG GLU 82 11.205 -10.759 -2.407 665 2HG GLU 82 3HG GLU 82 10.484 -9.548 -3.463 666 H GLU 83 HN GLU 83 10.769 -10.377 2.337 667 HA GLU 83 HA GLU 83 8.582 -8.884 3.343 668 1HB GLU 83 2HB GLU 83 9.518 -9.845 5.614 669 2HB GLU 83 3HB GLU 83 8.982 -11.010 4.393 670 1HG GLU 83 2HG GLU 83 11.125 -11.647 3.776 671 2HG GLU 83 3HG GLU 83 11.855 -10.131 4.250 672 H LYS 84 HN LYS 84 9.422 -6.872 2.408 673 HA LYS 84 HA LYS 84 10.538 -5.269 4.700 674 1HB LYS 84 2HB LYS 84 11.452 -5.263 1.774 675 2HB LYS 84 3HB LYS 84 11.887 -4.007 2.926 676 1HG LYS 84 2HG LYS 84 13.637 -5.088 3.588 677 2HG LYS 84 3HG LYS 84 12.656 -6.402 4.186 678 1HD LYS 84 2HD LYS 84 13.564 -6.232 1.276 679 2HD LYS 84 3HD LYS 84 14.554 -6.946 2.550 680 1HE LYS 84 2HE LYS 84 12.670 -8.521 3.082 681 2HE LYS 84 3HE LYS 84 11.800 -7.885 1.702 682 1HZ LYS 84 1HZ LYS 84 13.537 -8.756 0.226 683 2HZ LYS 84 2HZ LYS 84 14.477 -9.225 1.526 684 3HZ LYS 84 3HZ LYS 84 13.092 -9.960 1.213 685 H PHE 85 HN PHE 85 7.858 -5.659 3.710 686 HA PHE 85 HA PHE 85 6.886 -2.993 3.766 687 1HB PHE 85 2HB PHE 85 5.990 -2.826 1.401 688 2HB PHE 85 3HB PHE 85 7.712 -2.688 1.493 689 HD1 PHE 85 HD1 PHE 85 4.936 -4.769 0.265 690 HD2 PHE 85 HD2 PHE 85 9.213 -4.534 0.728 691 HE1 PHE 85 HE1 PHE 85 5.233 -6.652 -1.330 692 HE2 PHE 85 HE2 PHE 85 9.504 -6.267 -0.902 693 HZ PHE 85 HZ PHE 85 7.537 -7.435 -1.890 694 H ILE 86 HN ILE 86 6.191 -5.025 5.207 695 HA ILE 86 HA ILE 86 3.710 -6.291 4.214 696 HB ILE 86 HB ILE 86 5.444 -6.374 6.690 697 1HG1 ILE 86 2HG1 ILE 86 5.794 -8.737 6.215 698 2HG1 ILE 86 3HG1 ILE 86 4.629 -8.693 4.878 699 1HG2 ILE 86 1HG2 ILE 86 4.129 -8.289 7.517 700 2HG2 ILE 86 2HG2 ILE 86 3.307 -6.736 7.617 701 3HG2 ILE 86 3HG2 ILE 86 2.888 -7.893 6.302 702 1HD1 ILE 86 1HD1 ILE 86 6.795 -8.935 4.097 703 2HD1 ILE 86 2HD1 ILE 86 6.286 -7.335 3.594 704 3HD1 ILE 86 3HD1 ILE 86 7.415 -7.507 4.976 705 H GLY 87 HN GLY 87 1.658 -6.011 5.795 706 1HA GLY 87 1HA GLY 87 2.223 -4.564 8.017 707 2HA GLY 87 2HA GLY 87 1.057 -3.581 7.091 Start of MODEL 17 1 1H MET 1 HN MET 1 -12.600 -3.809 8.566 2 HA MET 1 HA MET 1 -14.900 -3.038 8.455 3 1HB MET 1 2HB MET 1 -14.195 -1.761 11.093 4 2HB MET 1 3HB MET 1 -15.410 -1.044 10.022 5 1HG MET 1 2HG MET 1 -16.500 -3.338 9.889 6 2HG MET 1 3HG MET 1 -15.420 -3.848 11.185 7 1HE MET 1 1HE MET 1 -18.975 -0.912 11.435 8 2HE MET 1 2HE MET 1 -17.499 -0.370 10.623 9 3HE MET 1 3HE MET 1 -18.399 -1.770 9.998 10 H ALA 2 HN ALA 2 -12.283 -0.660 9.484 11 HA ALA 2 HA ALA 2 -12.081 -0.107 6.608 12 1HB ALA 2 1HB ALA 2 -13.292 1.842 7.553 13 2HB ALA 2 2HB ALA 2 -12.000 2.058 8.754 14 3HB ALA 2 3HB ALA 2 -11.655 2.262 7.024 15 H LEU 3 HN LEU 3 -9.929 0.303 6.034 16 HA LEU 3 HA LEU 3 -7.921 -0.836 7.938 17 1HB LEU 3 2HB LEU 3 -8.214 -1.145 4.915 18 2HB LEU 3 3HB LEU 3 -6.865 -1.797 5.862 19 HG LEU 3 HG LEU 3 -9.760 -2.557 6.476 20 1HD1 LEU 3 1HD1 LEU 3 -9.152 -3.140 4.105 21 2HD1 LEU 3 2HD1 LEU 3 -7.921 -4.243 4.784 22 3HD1 LEU 3 3HD1 LEU 3 -9.651 -4.458 5.149 23 1HD2 LEU 3 1HD2 LEU 3 -7.060 -3.781 7.193 24 2HD2 LEU 3 2HD2 LEU 3 -8.242 -3.063 8.295 25 3HD2 LEU 3 3HD2 LEU 3 -8.608 -4.587 7.476 26 H VAL 4 HN VAL 4 -7.685 1.242 8.684 27 HA VAL 4 HA VAL 4 -6.409 3.212 6.895 28 HB VAL 4 HB VAL 4 -7.970 3.598 9.464 29 1HG1 VAL 4 1HG1 VAL 4 -7.494 5.996 7.781 30 2HG1 VAL 4 2HG1 VAL 4 -7.411 5.778 9.534 31 3HG1 VAL 4 3HG1 VAL 4 -6.022 5.329 8.534 32 1HG2 VAL 4 1HG2 VAL 4 -9.499 3.030 7.658 33 2HG2 VAL 4 2HG2 VAL 4 -9.645 4.757 7.995 34 3HG2 VAL 4 3HG2 VAL 4 -8.732 4.203 6.572 35 H LEU 5 HN LEU 5 -4.739 1.370 7.399 36 HA LEU 5 HA LEU 5 -2.715 2.594 8.778 37 1HB LEU 5 2HB LEU 5 -2.251 0.767 10.489 38 2HB LEU 5 3HB LEU 5 -3.499 1.907 10.898 39 HG LEU 5 HG LEU 5 -4.455 -0.586 9.498 40 1HD1 LEU 5 1HD1 LEU 5 -4.294 -2.046 11.398 41 2HD1 LEU 5 2HD1 LEU 5 -2.664 -1.445 11.049 42 3HD1 LEU 5 3HD1 LEU 5 -3.584 -0.748 12.390 43 1HD2 LEU 5 1HD2 LEU 5 -6.197 -0.558 11.271 44 2HD2 LEU 5 2HD2 LEU 5 -5.452 0.930 11.924 45 3HD2 LEU 5 3HD2 LEU 5 -6.158 0.908 10.313 46 H VAL 6 HN VAL 6 -0.765 1.655 8.093 47 HA VAL 6 HA VAL 6 -0.851 -1.038 7.004 48 HB VAL 6 HB VAL 6 -1.812 -0.079 5.184 49 1HG1 VAL 6 1HG1 VAL 6 -1.680 2.191 5.255 50 2HG1 VAL 6 2HG1 VAL 6 0.067 2.216 5.491 51 3HG1 VAL 6 3HG1 VAL 6 -0.610 1.842 3.897 52 1HG2 VAL 6 1HG2 VAL 6 1.064 -0.332 4.343 53 2HG2 VAL 6 2HG2 VAL 6 -0.041 -1.691 4.683 54 3HG2 VAL 6 3HG2 VAL 6 -0.372 -0.529 3.396 55 H LYS 7 HN LYS 7 0.426 -0.382 9.191 56 HA LYS 7 HA LYS 7 3.297 -0.181 8.290 57 1HB LYS 7 2HB LYS 7 3.802 0.873 10.467 58 2HB LYS 7 3HB LYS 7 2.720 1.851 9.494 59 1HG LYS 7 2HG LYS 7 1.014 1.715 10.993 60 2HG LYS 7 3HG LYS 7 1.335 0.032 11.406 61 1HD LYS 7 2HD LYS 7 3.046 0.553 12.912 62 2HD LYS 7 3HD LYS 7 3.202 2.234 12.343 63 1HE LYS 7 2HE LYS 7 1.312 2.971 13.441 64 2HE LYS 7 3HE LYS 7 0.546 1.382 13.435 65 1HZ LYS 7 1HZ LYS 7 2.830 2.100 15.174 66 2HZ LYS 7 2HZ LYS 7 1.282 1.966 15.663 67 3HZ LYS 7 3HZ LYS 7 2.091 0.645 15.114 68 H TYR 8 HN TYR 8 1.552 -2.605 8.674 69 HA TYR 8 HA TYR 8 3.297 -4.012 10.668 70 1HB TYR 8 2HB TYR 8 0.566 -3.159 10.918 71 2HB TYR 8 3HB TYR 8 0.462 -4.849 10.556 72 HD1 TYR 8 HD1 TYR 8 0.315 -2.664 13.122 73 HD2 TYR 8 HD2 TYR 8 2.495 -6.228 12.039 74 HE1 TYR 8 HE1 TYR 8 0.475 -3.268 15.497 75 HE2 TYR 8 HE2 TYR 8 2.702 -6.816 14.431 76 HH TYR 8 HH TYR 8 1.441 -6.428 16.478 77 H GLY 9 HN GLY 9 3.481 -3.965 7.752 78 1HA GLY 9 1HA GLY 9 3.496 -5.294 5.891 79 2HA GLY 9 2HA GLY 9 3.611 -6.681 6.965 80 H THR 10 HN THR 10 1.891 -7.788 7.343 81 HA THR 10 HA THR 10 -0.134 -7.613 5.268 82 HB THR 10 HB THR 10 -0.617 -9.961 6.047 83 HG1 THR 10 HG1 THR 10 0.321 -9.456 8.112 84 1HG2 THR 10 1HG2 THR 10 0.925 -9.482 4.121 85 2HG2 THR 10 2HG2 THR 10 2.277 -9.302 5.248 86 3HG2 THR 10 3HG2 THR 10 1.478 -10.872 5.079 87 H ASP 11 HN ASP 11 -1.239 -5.682 6.508 88 HA ASP 11 HA ASP 11 -3.582 -6.970 7.721 89 1HB ASP 11 2HB ASP 11 -1.807 -6.346 9.541 90 2HB ASP 11 3HB ASP 11 -2.304 -4.690 9.275 91 H HIS 12 HN HIS 12 -3.381 -5.751 5.173 92 HA HIS 12 HA HIS 12 -5.560 -3.963 5.187 93 1HB HIS 12 2HB HIS 12 -4.657 -1.917 4.838 94 2HB HIS 12 3HB HIS 12 -3.293 -2.539 5.726 95 HD1 HIS 12 HD1 HIS 12 -1.840 -4.167 3.281 96 HD2 HIS 12 HD2 HIS 12 -3.626 -0.348 3.072 97 HE1 HIS 12 HE1 HIS 12 -0.814 -3.009 1.325 98 HA PRO 13 HA PRO 13 -5.747 -5.831 1.183 99 1HB PRO 13 2HB PRO 13 -6.945 -3.962 -0.464 100 2HB PRO 13 3HB PRO 13 -7.780 -4.661 0.960 101 1HG PRO 13 2HG PRO 13 -6.472 -1.991 0.660 102 2HG PRO 13 3HG PRO 13 -8.013 -2.429 1.485 103 1HD PRO 13 2HD PRO 13 -5.505 -2.078 2.685 104 2HD PRO 13 3HD PRO 13 -6.874 -2.928 3.429 105 H VAL 14 HN VAL 14 -4.926 -5.821 -1.220 106 HA VAL 14 HA VAL 14 -3.842 -4.227 -2.741 107 HB VAL 14 HB VAL 14 -1.833 -4.628 -0.612 108 1HG1 VAL 14 1HG1 VAL 14 0.049 -4.048 -2.272 109 2HG1 VAL 14 2HG1 VAL 14 -0.554 -5.692 -2.290 110 3HG1 VAL 14 3HG1 VAL 14 -1.074 -4.571 -3.549 111 1HG2 VAL 14 1HG2 VAL 14 -3.088 -2.384 -1.724 112 2HG2 VAL 14 2HG2 VAL 14 -1.653 -2.340 -0.741 113 3HG2 VAL 14 3HG2 VAL 14 -1.514 -2.327 -2.504 114 H GLU 15 HN GLU 15 -3.272 -7.270 -1.022 115 HA GLU 15 HA GLU 15 -3.586 -8.723 -3.685 116 1HB GLU 15 2HB GLU 15 -1.496 -9.211 -1.514 117 2HB GLU 15 3HB GLU 15 -1.803 -10.271 -2.834 118 1HG GLU 15 2HG GLU 15 -1.493 -7.956 -4.229 119 2HG GLU 15 3HG GLU 15 -0.502 -7.619 -2.810 120 H LYS 16 HN LYS 16 -4.372 -8.745 -0.286 121 HA LYS 16 HA LYS 16 -6.090 -11.095 -0.876 122 1HB LYS 16 2HB LYS 16 -3.815 -11.480 0.190 123 2HB LYS 16 3HB LYS 16 -4.460 -10.654 1.620 124 1HG LYS 16 2HG LYS 16 -5.004 -12.878 2.134 125 2HG LYS 16 3HG LYS 16 -6.491 -12.358 1.392 126 1HD LYS 16 2HD LYS 16 -5.871 -13.316 -0.770 127 2HD LYS 16 3HD LYS 16 -4.273 -13.766 -0.179 128 1HE LYS 16 2HE LYS 16 -6.824 -14.827 1.076 129 2HE LYS 16 3HE LYS 16 -6.087 -15.568 -0.357 130 1HZ LYS 16 1HZ LYS 16 -4.613 -15.201 2.189 131 2HZ LYS 16 2HZ LYS 16 -5.357 -16.595 1.768 132 3HZ LYS 16 3HZ LYS 16 -4.143 -16.045 0.840 133 H LEU 17 HN LEU 17 -5.551 -8.742 1.907 134 HA LEU 17 HA LEU 17 -8.151 -8.938 2.760 135 1HB LEU 17 2HB LEU 17 -5.947 -7.294 3.329 136 2HB LEU 17 3HB LEU 17 -7.244 -6.153 3.027 137 HG LEU 17 HG LEU 17 -7.166 -6.562 5.344 138 1HD1 LEU 17 1HD1 LEU 17 -9.410 -7.177 5.845 139 2HD1 LEU 17 2HD1 LEU 17 -9.450 -6.454 4.219 140 3HD1 LEU 17 3HD1 LEU 17 -9.553 -8.194 4.408 141 1HD2 LEU 17 1HD2 LEU 17 -7.407 -8.768 6.391 142 2HD2 LEU 17 2HD2 LEU 17 -7.418 -9.555 4.797 143 3HD2 LEU 17 3HD2 LEU 17 -5.982 -8.689 5.354 144 H LYS 18 HN LYS 18 -6.950 -7.149 0.023 145 HA LYS 18 HA LYS 18 -9.202 -5.518 -0.598 146 1HB LYS 18 2HB LYS 18 -8.053 -4.905 -2.354 147 2HB LYS 18 3HB LYS 18 -6.737 -5.850 -1.718 148 1HG LYS 18 2HG LYS 18 -8.726 -6.905 -3.771 149 2HG LYS 18 3HG LYS 18 -7.252 -6.055 -4.138 150 1HD LYS 18 2HD LYS 18 -5.901 -7.760 -2.997 151 2HD LYS 18 3HD LYS 18 -7.352 -8.767 -2.747 152 1HE LYS 18 2HE LYS 18 -7.798 -8.293 -5.269 153 2HE LYS 18 3HE LYS 18 -6.058 -7.773 -5.224 154 1HZ LYS 18 1HZ LYS 18 -7.057 -10.319 -5.587 155 2HZ LYS 18 2HZ LYS 18 -5.542 -9.741 -5.625 156 3HZ LYS 18 3HZ LYS 18 -6.088 -10.282 -4.192 157 H ILE 19 HN ILE 19 -8.650 -8.968 -1.054 158 HA ILE 19 HA ILE 19 -10.716 -9.285 -3.015 159 HB ILE 19 HB ILE 19 -8.476 -10.699 -1.893 160 1HG1 ILE 19 2HG1 ILE 19 -10.101 -11.581 -4.263 161 2HG1 ILE 19 3HG1 ILE 19 -8.981 -10.230 -4.250 162 1HG2 ILE 19 1HG2 ILE 19 -10.766 -12.638 -2.005 163 2HG2 ILE 19 2HG2 ILE 19 -9.062 -12.936 -1.615 164 3HG2 ILE 19 3HG2 ILE 19 -10.062 -12.011 -0.495 165 1HD1 ILE 19 1HD1 ILE 19 -8.280 -13.130 -3.627 166 2HD1 ILE 19 2HD1 ILE 19 -7.717 -12.140 -4.964 167 3HD1 ILE 19 3HD1 ILE 19 -7.202 -11.748 -3.283 168 H ARG 20 HN ARG 20 -10.459 -9.258 0.488 169 HA ARG 20 HA ARG 20 -13.085 -10.415 0.911 170 1HB ARG 20 2HB ARG 20 -11.253 -8.849 2.776 171 2HB ARG 20 3HB ARG 20 -12.787 -9.583 3.228 172 1HG ARG 20 2HG ARG 20 -11.682 -11.459 3.683 173 2HG ARG 20 3HG ARG 20 -11.435 -11.685 1.932 174 1HD ARG 20 2HD ARG 20 -9.305 -10.659 2.039 175 2HD ARG 20 3HD ARG 20 -9.527 -10.171 3.717 176 HE ARG 20 HE ARG 20 -8.922 -12.812 2.629 177 1HH1 ARG 20 2HH2 ARG 20 -9.736 -11.020 5.642 178 2HH1 ARG 20 1HH2 ARG 20 -8.853 -12.152 6.635 179 1HH2 ARG 20 2HH1 ARG 20 -7.825 -14.290 4.090 180 2HH2 ARG 20 1HH1 ARG 20 -7.839 -13.940 5.777 181 H SER 21 HN SER 21 -11.735 -7.113 0.434 182 HA SER 21 HA SER 21 -14.379 -6.107 -0.241 183 1HB SER 21 2HB SER 21 -12.854 -5.154 2.223 184 2HB SER 21 3HB SER 21 -14.276 -4.347 1.540 185 HG SER 21 HG SER 21 -14.951 -6.854 1.879 186 H ALA 22 HN ALA 22 -13.389 -5.485 -2.281 187 HA ALA 22 HA ALA 22 -12.516 -2.845 -2.413 188 1HB ALA 22 1HB ALA 22 -10.225 -3.106 -3.356 189 2HB ALA 22 2HB ALA 22 -10.242 -3.662 -1.690 190 3HB ALA 22 3HB ALA 22 -10.296 -4.847 -3.019 191 H LYS 23 HN LYS 23 -11.893 -2.239 -4.703 192 HA LYS 23 HA LYS 23 -12.782 -4.171 -6.758 193 1HB LYS 23 2HB LYS 23 -14.479 -2.200 -5.883 194 2HB LYS 23 3HB LYS 23 -13.646 -1.315 -7.121 195 1HG LYS 23 2HG LYS 23 -15.568 -2.253 -8.126 196 2HG LYS 23 3HG LYS 23 -14.224 -3.217 -8.715 197 1HD LYS 23 2HD LYS 23 -15.756 -4.881 -8.155 198 2HD LYS 23 3HD LYS 23 -14.835 -4.788 -6.629 199 1HE LYS 23 2HE LYS 23 -16.510 -3.150 -5.770 200 2HE LYS 23 3HE LYS 23 -17.443 -3.350 -7.265 201 1HZ LYS 23 1HZ LYS 23 -18.324 -4.747 -5.566 202 2HZ LYS 23 2HZ LYS 23 -17.650 -5.731 -6.710 203 3HZ LYS 23 3HZ LYS 23 -16.890 -5.472 -5.275 204 H ALA 24 HN ALA 24 -12.495 -2.813 -8.994 205 HA ALA 24 HA ALA 24 -9.622 -2.408 -9.227 206 1HB ALA 24 1HB ALA 24 -10.902 -3.152 -11.217 207 2HB ALA 24 2HB ALA 24 -11.850 -1.630 -11.192 208 3HB ALA 24 3HB ALA 24 -10.112 -1.601 -11.518 209 H GLU 25 HN GLU 25 -12.579 -0.237 -9.086 210 HA GLU 25 HA GLU 25 -10.896 2.132 -9.320 211 1HB GLU 25 2HB GLU 25 -13.458 1.637 -10.075 212 2HB GLU 25 3HB GLU 25 -13.730 2.307 -8.443 213 1HG GLU 25 2HG GLU 25 -12.190 4.255 -9.191 214 2HG GLU 25 3HG GLU 25 -12.283 3.552 -10.817 215 H ASP 26 HN ASP 26 -10.024 0.646 -7.272 216 HA ASP 26 HA ASP 26 -11.026 2.071 -4.908 217 1HB ASP 26 2HB ASP 26 -11.036 -0.558 -5.298 218 2HB ASP 26 3HB ASP 26 -9.380 -0.452 -4.684 219 H LYS 27 HN LYS 27 -9.178 2.509 -3.204 220 HA LYS 27 HA LYS 27 -6.635 3.234 -4.599 221 1HB LYS 27 2HB LYS 27 -8.237 4.848 -2.597 222 2HB LYS 27 3HB LYS 27 -6.634 5.257 -3.198 223 1HG LYS 27 2HG LYS 27 -7.528 6.418 -4.851 224 2HG LYS 27 3HG LYS 27 -8.208 4.939 -5.538 225 1HD LYS 27 2HD LYS 27 -10.264 5.241 -4.197 226 2HD LYS 27 3HD LYS 27 -9.537 6.656 -3.395 227 1HE LYS 27 2HE LYS 27 -9.333 7.806 -5.554 228 2HE LYS 27 3HE LYS 27 -10.075 6.434 -6.389 229 1HZ LYS 27 1HZ LYS 27 -11.382 8.055 -4.288 230 2HZ LYS 27 2HZ LYS 27 -11.646 8.226 -5.911 231 3HZ LYS 27 3HZ LYS 27 -12.088 6.837 -5.152 232 H ILE 28 HN ILE 28 -4.792 2.719 -3.505 233 HA ILE 28 HA ILE 28 -4.784 2.272 -0.650 234 HB ILE 28 HB ILE 28 -3.685 0.018 -2.296 235 1HG1 ILE 28 2HG1 ILE 28 -6.601 -0.249 -1.372 236 2HG1 ILE 28 3HG1 ILE 28 -6.160 0.129 -3.047 237 1HG2 ILE 28 1HG2 ILE 28 -4.259 -1.180 -0.097 238 2HG2 ILE 28 2HG2 ILE 28 -3.281 0.226 0.169 239 3HG2 ILE 28 3HG2 ILE 28 -5.026 0.289 0.482 240 1HD1 ILE 28 1HD1 ILE 28 -4.802 -1.867 -3.175 241 2HD1 ILE 28 2HD1 ILE 28 -5.370 -2.344 -1.555 242 3HD1 ILE 28 3HD1 ILE 28 -6.532 -2.193 -2.891 243 H VAL 29 HN VAL 29 -2.588 1.967 0.106 244 HA VAL 29 HA VAL 29 -0.306 2.323 -1.570 245 HB VAL 29 HB VAL 29 -1.197 4.529 0.323 246 1HG1 VAL 29 1HG1 VAL 29 1.582 4.165 -0.920 247 2HG1 VAL 29 2HG1 VAL 29 1.014 5.637 -0.107 248 3HG1 VAL 29 3HG1 VAL 29 1.189 4.174 0.822 249 1HG2 VAL 29 1HG2 VAL 29 -0.474 5.930 -1.790 250 2HG2 VAL 29 2HG2 VAL 29 -0.629 4.396 -2.633 251 3HG2 VAL 29 3HG2 VAL 29 -2.025 5.084 -1.779 252 H LEU 30 HN LEU 30 1.640 1.867 -0.232 253 HA LEU 30 HA LEU 30 1.066 0.579 2.399 254 1HB LEU 30 2HB LEU 30 3.521 -0.394 1.280 255 2HB LEU 30 3HB LEU 30 2.125 -1.307 1.763 256 HG LEU 30 HG LEU 30 2.553 -0.197 -0.994 257 1HD1 LEU 30 1HD1 LEU 30 4.237 -1.839 -0.670 258 2HD1 LEU 30 2HD1 LEU 30 3.141 -2.915 0.167 259 3HD1 LEU 30 3HD1 LEU 30 2.937 -2.623 -1.572 260 1HD2 LEU 30 1HD2 LEU 30 0.625 -2.352 -0.096 261 2HD2 LEU 30 2HD2 LEU 30 0.123 -0.684 -0.377 262 3HD2 LEU 30 3HD2 LEU 30 0.767 -1.639 -1.717 263 H ILE 31 HN ILE 31 2.443 0.873 4.156 264 HA ILE 31 HA ILE 31 4.720 2.689 3.726 265 HB ILE 31 HB ILE 31 4.143 4.165 5.340 266 1HG1 ILE 31 2HG1 ILE 31 1.931 2.453 6.463 267 2HG1 ILE 31 3HG1 ILE 31 3.485 2.381 7.097 268 1HG2 ILE 31 1HG2 ILE 31 2.587 4.370 3.383 269 2HG2 ILE 31 2HG2 ILE 31 1.361 3.513 4.289 270 3HG2 ILE 31 3HG2 ILE 31 1.943 5.072 4.857 271 1HD1 ILE 31 1HD1 ILE 31 3.475 4.764 7.671 272 2HD1 ILE 31 2HD1 ILE 31 1.847 4.924 7.002 273 3HD1 ILE 31 3HD1 ILE 31 2.082 3.898 8.418 274 H GLN 32 HN GLN 32 5.774 2.813 6.108 275 HA GLN 32 HA GLN 32 7.443 1.756 7.114 276 1HB GLN 32 2HB GLN 32 5.073 0.830 8.622 277 2HB GLN 32 3HB GLN 32 6.697 0.899 9.270 278 1HG GLN 32 2HG GLN 32 5.398 3.393 8.124 279 2HG GLN 32 3HG GLN 32 4.948 2.812 9.695 280 1HE2 GLN 32 1HE2 GLN 32 7.244 4.749 8.108 281 2HE2 GLN 32 2HE2 GLN 32 8.177 5.116 9.543 282 H ASN 33 HN ASN 33 5.348 -0.881 7.882 283 HA ASN 33 HA ASN 33 7.274 -2.872 6.711 284 1HB ASN 33 2HB ASN 33 5.097 -3.448 8.787 285 2HB ASN 33 3HB ASN 33 6.321 -4.532 8.187 286 1HD2 ASN 33 1HD2 ASN 33 5.806 -1.659 10.273 287 2HD2 ASN 33 2HD2 ASN 33 7.515 -1.557 10.731 288 H GLY 34 HN GLY 34 4.055 -1.584 6.420 289 1HA GLY 34 1HA GLY 34 2.525 -3.558 5.123 290 2HA GLY 34 2HA GLY 34 2.470 -1.824 4.933 291 H VAL 35 HN VAL 35 5.297 -1.562 4.045 292 HA VAL 35 HA VAL 35 5.162 -1.835 1.306 293 HB VAL 35 HB VAL 35 7.520 -1.698 1.236 294 1HG1 VAL 35 1HG1 VAL 35 6.179 0.330 1.838 295 2HG1 VAL 35 2HG1 VAL 35 6.643 0.052 3.539 296 3HG1 VAL 35 3HG1 VAL 35 7.880 0.372 2.321 297 1HG2 VAL 35 1HG2 VAL 35 7.481 -2.348 4.224 298 2HG2 VAL 35 2HG2 VAL 35 8.327 -3.218 2.927 299 3HG2 VAL 35 3HG2 VAL 35 8.873 -1.612 3.422 300 H PHE 36 HN PHE 36 5.801 -4.580 3.573 301 HA PHE 36 HA PHE 36 6.827 -6.456 1.850 302 1HB PHE 36 2HB PHE 36 4.911 -6.514 4.182 303 2HB PHE 36 3HB PHE 36 5.419 -7.973 3.365 304 HD1 PHE 36 HD1 PHE 36 6.167 -8.833 5.479 305 HD2 PHE 36 HD2 PHE 36 8.043 -5.335 3.788 306 HE1 PHE 36 HE1 PHE 36 8.133 -9.143 6.957 307 HE2 PHE 36 HE2 PHE 36 9.972 -5.663 5.262 308 HZ PHE 36 HZ PHE 36 10.015 -7.531 6.891 309 H TRP 37 HN TRP 37 3.531 -5.044 1.799 310 HA TRP 37 HA TRP 37 2.308 -7.222 0.478 311 1HB TRP 37 2HB TRP 37 1.584 -4.309 0.496 312 2HB TRP 37 3HB TRP 37 0.710 -5.495 -0.442 313 HD1 TRP 37 HD1 TRP 37 1.028 -4.141 2.981 314 HE1 TRP 37 HE1 TRP 37 -0.391 -5.399 4.622 315 HE3 TRP 37 HE3 TRP 37 -0.526 -7.896 -0.077 316 HZ2 TRP 37 HZ2 TRP 37 -2.448 -7.587 4.492 317 HZ3 TRP 37 HZ3 TRP 37 -2.254 -9.534 0.671 318 HH2 TRP 37 HH2 TRP 37 -3.280 -9.318 2.965 319 H ALA 38 HN ALA 38 4.700 -4.966 -0.725 320 HA ALA 38 HA ALA 38 4.013 -5.297 -3.605 321 1HB ALA 38 1HB ALA 38 5.949 -3.754 -3.842 322 2HB ALA 38 2HB ALA 38 4.758 -3.059 -2.753 323 3HB ALA 38 3HB ALA 38 6.226 -3.809 -2.097 324 H LEU 39 HN LEU 39 4.494 -7.641 -2.034 325 HA LEU 39 HA LEU 39 6.172 -9.114 -3.671 326 1HB LEU 39 2HB LEU 39 8.079 -9.555 -2.286 327 2HB LEU 39 3HB LEU 39 8.037 -7.989 -3.045 328 HG LEU 39 HG LEU 39 7.575 -8.421 -0.072 329 1HD1 LEU 39 1HD1 LEU 39 9.891 -8.982 -1.076 330 2HD1 LEU 39 2HD1 LEU 39 9.916 -7.340 -1.774 331 3HD1 LEU 39 3HD1 LEU 39 9.938 -7.582 -0.004 332 1HD2 LEU 39 1HD2 LEU 39 8.218 -6.034 0.179 333 2HD2 LEU 39 2HD2 LEU 39 8.129 -5.820 -1.576 334 3HD2 LEU 39 3HD2 LEU 39 6.681 -6.226 -0.638 335 H GLU 40 HN GLU 40 3.765 -9.449 -2.874 336 HA GLU 40 HA GLU 40 3.717 -11.836 -1.087 337 1HB GLU 40 2HB GLU 40 1.539 -9.846 -1.815 338 2HB GLU 40 3HB GLU 40 1.252 -11.288 -0.848 339 1HG GLU 40 2HG GLU 40 3.122 -9.012 -0.220 340 2HG GLU 40 3HG GLU 40 1.463 -9.147 0.370 341 H GLU 41 HN GLU 41 1.366 -12.958 -1.965 342 HA GLU 41 HA GLU 41 2.034 -13.835 -4.713 343 1HB GLU 41 2HB GLU 41 1.706 -15.238 -2.141 344 2HB GLU 41 3HB GLU 41 0.746 -15.976 -3.396 345 1HG GLU 41 2HG GLU 41 3.675 -15.311 -3.734 346 2HG GLU 41 3HG GLU 41 3.072 -16.862 -3.157 347 H LEU 42 HN LEU 42 0.496 -11.849 -4.988 348 HA LEU 42 HA LEU 42 -1.791 -12.819 -6.472 349 1HB LEU 42 2HB LEU 42 -1.958 -12.072 -3.686 350 2HB LEU 42 3HB LEU 42 -3.002 -10.983 -4.633 351 HG LEU 42 HG LEU 42 -3.198 -13.883 -5.223 352 1HD1 LEU 42 1HD1 LEU 42 -4.510 -14.469 -3.224 353 2HD1 LEU 42 2HD1 LEU 42 -2.866 -14.001 -2.783 354 3HD1 LEU 42 3HD1 LEU 42 -4.185 -12.859 -2.539 355 1HD2 LEU 42 1HD2 LEU 42 -5.497 -13.555 -5.445 356 2HD2 LEU 42 2HD2 LEU 42 -5.478 -12.163 -4.423 357 3HD2 LEU 42 3HD2 LEU 42 -4.785 -12.063 -6.085 358 H GLU 43 HN GLU 43 -3.037 -10.114 -6.236 359 HA GLU 43 HA GLU 43 -1.282 -7.988 -6.451 360 1HB GLU 43 2HB GLU 43 -1.744 -7.226 -8.707 361 2HB GLU 43 3HB GLU 43 -0.845 -8.733 -8.759 362 1HG GLU 43 2HG GLU 43 -2.678 -9.979 -9.561 363 2HG GLU 43 3HG GLU 43 -3.862 -8.814 -8.980 364 H THR 44 HN THR 44 -2.936 -6.072 -7.294 365 HA THR 44 HA THR 44 -5.825 -6.535 -6.697 366 HB THR 44 HB THR 44 -5.027 -5.355 -4.829 367 HG1 THR 44 HG1 THR 44 -6.329 -3.460 -5.188 368 1HG2 THR 44 1HG2 THR 44 -4.388 -3.166 -6.749 369 2HG2 THR 44 2HG2 THR 44 -4.300 -3.209 -4.960 370 3HG2 THR 44 3HG2 THR 44 -3.204 -4.216 -5.951 371 HA PRO 45 HA PRO 45 -6.119 -4.281 -10.559 372 1HB PRO 45 2HB PRO 45 -8.794 -3.898 -10.616 373 2HB PRO 45 3HB PRO 45 -8.073 -5.445 -11.049 374 1HG PRO 45 2HG PRO 45 -9.505 -4.623 -8.552 375 2HG PRO 45 3HG PRO 45 -9.482 -6.214 -9.355 376 1HD PRO 45 2HD PRO 45 -7.950 -5.314 -7.219 377 2HD PRO 45 3HD PRO 45 -7.608 -6.823 -8.135 378 H ALA 46 HN ALA 46 -6.634 -3.216 -7.407 379 HA ALA 46 HA ALA 46 -7.654 -0.521 -7.870 380 1HB ALA 46 1HB ALA 46 -7.854 -1.794 -5.694 381 2HB ALA 46 2HB ALA 46 -6.082 -1.613 -5.504 382 3HB ALA 46 3HB ALA 46 -7.109 -0.192 -5.523 383 H LYS 47 HN LYS 47 -6.109 1.494 -7.096 384 HA LYS 47 HA LYS 47 -3.624 1.160 -8.578 385 1HB LYS 47 2HB LYS 47 -3.461 3.500 -8.348 386 2HB LYS 47 3HB LYS 47 -5.109 3.138 -8.871 387 1HG LYS 47 2HG LYS 47 -5.807 3.268 -6.490 388 2HG LYS 47 3HG LYS 47 -4.177 3.737 -6.054 389 1HD LYS 47 2HD LYS 47 -6.453 5.247 -7.259 390 2HD LYS 47 3HD LYS 47 -5.344 5.637 -5.938 391 1HE LYS 47 2HE LYS 47 -3.590 6.200 -7.518 392 2HE LYS 47 3HE LYS 47 -4.516 5.423 -8.811 393 1HZ LYS 47 1HZ LYS 47 -5.250 7.952 -7.461 394 2HZ LYS 47 2HZ LYS 47 -4.765 7.771 -9.051 395 3HZ LYS 47 3HZ LYS 47 -6.200 7.197 -8.524 396 H VAL 48 HN VAL 48 -1.589 0.840 -7.452 397 HA VAL 48 HA VAL 48 -1.638 0.805 -4.575 398 HB VAL 48 HB VAL 48 -0.240 -1.244 -5.062 399 1HG1 VAL 48 1HG1 VAL 48 -2.642 -1.264 -4.160 400 2HG1 VAL 48 2HG1 VAL 48 -3.143 -1.568 -5.823 401 3HG1 VAL 48 3HG1 VAL 48 -2.114 -2.751 -4.970 402 1HG2 VAL 48 1HG2 VAL 48 0.140 -1.023 -7.400 403 2HG2 VAL 48 2HG2 VAL 48 -0.705 -2.554 -7.081 404 3HG2 VAL 48 3HG2 VAL 48 -1.601 -1.211 -7.769 405 H TYR 49 HN TYR 49 0.292 1.189 -3.819 406 HA TYR 49 HA TYR 49 2.652 1.853 -5.373 407 1HB TYR 49 2HB TYR 49 1.066 3.906 -3.854 408 2HB TYR 49 3HB TYR 49 2.590 4.230 -4.677 409 HD1 TYR 49 HD1 TYR 49 -1.097 3.974 -4.901 410 HD2 TYR 49 HD2 TYR 49 2.536 4.424 -7.247 411 HE1 TYR 49 HE1 TYR 49 -2.390 4.786 -6.753 412 HE2 TYR 49 HE2 TYR 49 1.173 5.299 -9.123 413 HH TYR 49 HH TYR 49 -1.003 6.337 -9.516 414 H ALA 50 HN ALA 50 4.370 2.503 -3.671 415 HA ALA 50 HA ALA 50 3.609 1.829 -0.835 416 1HB ALA 50 1HB ALA 50 5.705 0.607 -0.635 417 2HB ALA 50 2HB ALA 50 4.674 -0.113 -1.900 418 3HB ALA 50 3HB ALA 50 6.037 0.870 -2.362 419 H ILE 51 HN ILE 51 4.988 3.050 0.657 420 HA ILE 51 HA ILE 51 6.002 5.611 -0.347 421 HB ILE 51 HB ILE 51 5.824 4.381 2.440 422 1HG1 ILE 51 2HG1 ILE 51 3.685 4.945 1.716 423 2HG1 ILE 51 3HG1 ILE 51 4.258 6.216 2.810 424 1HG2 ILE 51 1HG2 ILE 51 7.802 6.040 2.147 425 2HG2 ILE 51 2HG2 ILE 51 6.594 7.274 1.835 426 3HG2 ILE 51 3HG2 ILE 51 6.612 6.382 3.376 427 1HD1 ILE 51 1HD1 ILE 51 3.788 6.291 -0.199 428 2HD1 ILE 51 2HD1 ILE 51 3.042 7.284 1.065 429 3HD1 ILE 51 3HD1 ILE 51 4.744 7.534 0.621 430 H LYS 52 HN LYS 52 7.802 5.781 -1.299 431 HA LYS 52 HA LYS 52 9.769 3.829 -1.299 432 1HB LYS 52 2HB LYS 52 9.367 5.635 -3.007 433 2HB LYS 52 3HB LYS 52 10.266 6.762 -1.973 434 1HG LYS 52 2HG LYS 52 12.274 5.484 -2.180 435 2HG LYS 52 3HG LYS 52 11.419 4.053 -2.755 436 1HD LYS 52 2HD LYS 52 12.411 4.808 -4.678 437 2HD LYS 52 3HD LYS 52 10.766 5.446 -4.813 438 1HE LYS 52 2HE LYS 52 11.522 7.657 -4.084 439 2HE LYS 52 3HE LYS 52 13.162 7.040 -3.821 440 1HZ LYS 52 1HZ LYS 52 11.754 7.097 -6.414 441 2HZ LYS 52 2HZ LYS 52 12.948 8.145 -5.945 442 3HZ LYS 52 3HZ LYS 52 13.272 6.521 -6.190 443 H ASP 53 HN ASP 53 9.848 6.924 0.510 444 HA ASP 53 HA ASP 53 12.242 6.652 1.853 445 1HB ASP 53 2HB ASP 53 9.594 7.609 3.055 446 2HB ASP 53 3HB ASP 53 11.198 7.971 3.691 447 H ASP 54 HN ASP 54 9.074 5.145 2.858 448 HA ASP 54 HA ASP 54 10.180 3.926 5.161 449 1HB ASP 54 2HB ASP 54 7.614 4.027 3.694 450 2HB ASP 54 3HB ASP 54 7.905 2.447 4.398 451 H PHE 55 HN PHE 55 9.880 2.780 1.836 452 HA PHE 55 HA PHE 55 10.452 -0.010 2.406 453 1HB PHE 55 2HB PHE 55 9.327 0.982 0.375 454 2HB PHE 55 3HB PHE 55 10.893 1.573 -0.170 455 HD1 PHE 55 HD1 PHE 55 11.653 0.262 -2.028 456 HD2 PHE 55 HD2 PHE 55 9.597 -1.694 1.209 457 HE1 PHE 55 HE1 PHE 55 11.861 -1.916 -3.169 458 HE2 PHE 55 HE2 PHE 55 9.751 -3.836 0.048 459 HZ PHE 55 HZ PHE 55 10.996 -3.993 -2.103 460 H LEU 56 HN LEU 56 12.294 2.772 1.314 461 HA LEU 56 HA LEU 56 14.915 1.615 1.250 462 1HB LEU 56 2HB LEU 56 13.894 4.440 1.789 463 2HB LEU 56 3HB LEU 56 15.577 4.064 1.514 464 HG LEU 56 HG LEU 56 13.334 3.515 -0.489 465 1HD1 LEU 56 1HD1 LEU 56 13.757 5.931 -0.196 466 2HD1 LEU 56 2HD1 LEU 56 15.507 5.687 -0.348 467 3HD1 LEU 56 3HD1 LEU 56 14.458 5.422 -1.745 468 1HD2 LEU 56 1HD2 LEU 56 15.220 3.203 -2.120 469 2HD2 LEU 56 2HD2 LEU 56 16.352 3.228 -0.752 470 3HD2 LEU 56 3HD2 LEU 56 15.126 1.946 -0.896 471 H ALA 57 HN ALA 57 13.005 3.222 3.848 472 HA ALA 57 HA ALA 57 15.006 2.784 5.817 473 1HB ALA 57 1HB ALA 57 13.184 4.458 6.096 474 2HB ALA 57 2HB ALA 57 12.012 3.130 6.233 475 3HB ALA 57 3HB ALA 57 13.269 3.334 7.458 476 H ARG 58 HN ARG 58 13.255 0.428 4.162 477 HA ARG 58 HA ARG 58 13.594 -1.482 6.460 478 1HB ARG 58 2HB ARG 58 11.207 -1.038 5.376 479 2HB ARG 58 3HB ARG 58 11.796 -1.955 4.073 480 1HG ARG 58 2HG ARG 58 11.280 -3.865 5.119 481 2HG ARG 58 3HG ARG 58 12.408 -3.517 6.398 482 1HD ARG 58 2HD ARG 58 9.588 -2.344 6.334 483 2HD ARG 58 3HD ARG 58 9.924 -3.911 7.025 484 HE ARG 58 HE ARG 58 10.916 -1.296 8.018 485 1HH1 ARG 58 2HH2 ARG 58 10.529 -4.780 8.575 486 2HH1 ARG 58 1HH2 ARG 58 11.684 -4.929 9.830 487 1HH2 ARG 58 2HH1 ARG 58 12.238 -1.366 9.908 488 2HH2 ARG 58 1HH1 ARG 58 12.400 -2.822 10.850 489 H GLY 59 HN GLY 59 15.608 -0.426 4.670 490 1HA GLY 59 1HA GLY 59 17.421 -1.113 3.491 491 2HA GLY 59 2HA GLY 59 17.220 -2.606 4.416 492 H TYR 60 HN TYR 60 15.326 -1.151 1.627 493 HA TYR 60 HA TYR 60 15.835 -3.574 0.017 494 1HB TYR 60 2HB TYR 60 13.460 -1.667 0.181 495 2HB TYR 60 3HB TYR 60 13.731 -2.757 -1.136 496 HD1 TYR 60 HD1 TYR 60 13.443 -5.214 -0.908 497 HD2 TYR 60 HD2 TYR 60 12.370 -2.444 2.189 498 HE1 TYR 60 HE1 TYR 60 12.075 -6.941 0.110 499 HE2 TYR 60 HE2 TYR 60 10.802 -4.141 3.123 500 HH TYR 60 HH TYR 60 10.899 -7.492 2.089 501 H SER 61 HN SER 61 15.939 -2.999 -2.290 502 HA SER 61 HA SER 61 16.967 -0.271 -2.889 503 1HB SER 61 2HB SER 61 18.186 -2.386 -3.547 504 2HB SER 61 3HB SER 61 16.806 -2.782 -4.598 505 HG SER 61 HG SER 61 17.976 -1.623 -5.980 506 H GLU 62 HN GLU 62 16.092 0.678 -4.949 507 HA GLU 62 HA GLU 62 13.275 0.934 -4.804 508 1HB GLU 62 2HB GLU 62 15.127 1.770 -7.069 509 2HB GLU 62 3HB GLU 62 13.519 2.405 -6.701 510 1HG GLU 62 2HG GLU 62 14.458 3.274 -4.508 511 2HG GLU 62 3HG GLU 62 16.051 2.772 -5.065 512 H GLU 63 HN GLU 63 15.205 -1.454 -6.326 513 HA GLU 63 HA GLU 63 13.098 -2.082 -8.302 514 1HB GLU 63 2HB GLU 63 15.760 -1.590 -8.697 515 2HB GLU 63 3HB GLU 63 15.815 -3.332 -8.410 516 1HG GLU 63 2HG GLU 63 15.566 -2.934 -10.777 517 2HG GLU 63 3HG GLU 63 14.051 -3.607 -10.165 518 H ASP 64 HN ASP 64 13.623 -2.846 -5.230 519 HA ASP 64 HA ASP 64 13.631 -5.804 -5.437 520 1HB ASP 64 2HB ASP 64 13.757 -3.786 -3.203 521 2HB ASP 64 3HB ASP 64 13.063 -5.348 -2.885 522 H SER 65 HN SER 65 11.320 -3.187 -5.218 523 HA SER 65 HA SER 65 9.264 -4.852 -3.935 524 1HB SER 65 2HB SER 65 9.663 -1.969 -4.461 525 2HB SER 65 3HB SER 65 8.072 -2.560 -4.958 526 HG SER 65 HG SER 65 9.194 -2.666 -2.393 527 H LYS 66 HN LYS 66 7.157 -5.170 -5.139 528 HA LYS 66 HA LYS 66 7.419 -4.959 -8.128 529 1HB LYS 66 2HB LYS 66 5.845 -6.770 -8.308 530 2HB LYS 66 3HB LYS 66 7.189 -7.231 -7.243 531 1HG LYS 66 2HG LYS 66 5.988 -7.580 -5.479 532 2HG LYS 66 3HG LYS 66 4.845 -6.242 -5.754 533 1HD LYS 66 2HD LYS 66 3.439 -7.573 -7.044 534 2HD LYS 66 3HD LYS 66 4.725 -8.719 -7.465 535 1HE LYS 66 2HE LYS 66 4.756 -9.643 -5.200 536 2HE LYS 66 3HE LYS 66 3.534 -8.499 -4.628 537 1HZ LYS 66 1HZ LYS 66 1.924 -9.530 -5.788 538 2HZ LYS 66 2HZ LYS 66 2.904 -10.182 -6.937 539 3HZ LYS 66 3HZ LYS 66 2.847 -10.821 -5.398 540 H VAL 67 HN VAL 67 6.719 -2.651 -6.501 541 HA VAL 67 HA VAL 67 4.358 -1.921 -8.100 542 HB VAL 67 HB VAL 67 2.914 -1.231 -6.391 543 1HG1 VAL 67 1HG1 VAL 67 4.050 -3.771 -5.244 544 2HG1 VAL 67 2HG1 VAL 67 2.489 -3.039 -4.827 545 3HG1 VAL 67 3HG1 VAL 67 2.791 -3.613 -6.467 546 1HG2 VAL 67 1HG2 VAL 67 4.393 0.085 -5.011 547 2HG2 VAL 67 2HG2 VAL 67 3.462 -1.015 -3.996 548 3HG2 VAL 67 3HG2 VAL 67 5.178 -1.362 -4.377 549 HA PRO 68 HA PRO 68 6.468 1.796 -8.404 550 1HB PRO 68 2HB PRO 68 4.425 3.717 -8.469 551 2HB PRO 68 3HB PRO 68 5.009 2.677 -9.809 552 1HG PRO 68 2HG PRO 68 2.438 2.496 -8.491 553 2HG PRO 68 3HG PRO 68 3.055 1.674 -9.948 554 1HD PRO 68 2HD PRO 68 2.899 0.712 -7.201 555 2HD PRO 68 3HD PRO 68 3.216 -0.182 -8.709 556 H LEU 69 HN LEU 69 7.685 2.654 -7.007 557 HA LEU 69 HA LEU 69 6.838 3.216 -4.243 558 1HB LEU 69 2HB LEU 69 9.581 3.554 -5.495 559 2HB LEU 69 3HB LEU 69 9.206 3.257 -3.787 560 HG LEU 69 HG LEU 69 9.035 1.237 -6.044 561 1HD1 LEU 69 1HD1 LEU 69 11.009 0.246 -4.906 562 2HD1 LEU 69 2HD1 LEU 69 11.324 1.848 -5.569 563 3HD1 LEU 69 3HD1 LEU 69 11.082 1.658 -3.822 564 1HD2 LEU 69 1HD2 LEU 69 7.514 1.094 -3.867 565 2HD2 LEU 69 2HD2 LEU 69 8.252 -0.297 -4.596 566 3HD2 LEU 69 3HD2 LEU 69 9.016 0.439 -3.158 567 H ILE 70 HN ILE 70 5.873 4.961 -3.893 568 HA ILE 70 HA ILE 70 6.538 7.431 -5.419 569 HB ILE 70 HB ILE 70 4.357 8.167 -5.019 570 1HG1 ILE 70 2HG1 ILE 70 3.780 5.715 -3.326 571 2HG1 ILE 70 3HG1 ILE 70 3.978 7.379 -2.736 572 1HG2 ILE 70 1HG2 ILE 70 3.099 6.638 -6.400 573 2HG2 ILE 70 2HG2 ILE 70 4.784 6.608 -6.896 574 3HG2 ILE 70 3HG2 ILE 70 4.147 5.271 -5.938 575 1HD1 ILE 70 1HD1 ILE 70 1.743 6.474 -4.581 576 2HD1 ILE 70 2HD1 ILE 70 1.631 6.808 -2.851 577 3HD1 ILE 70 3HD1 ILE 70 2.016 8.118 -3.987 578 H THR 71 HN THR 71 6.256 9.507 -3.969 579 HA THR 71 HA THR 71 7.609 8.975 -1.419 580 HB THR 71 HB THR 71 7.467 11.470 -1.243 581 HG1 THR 71 HG1 THR 71 6.204 12.448 -2.592 582 1HG2 THR 71 1HG2 THR 71 9.453 10.239 -2.208 583 2HG2 THR 71 2HG2 THR 71 8.734 10.413 -3.822 584 3HG2 THR 71 3HG2 THR 71 9.234 11.844 -2.908 585 H TYR 72 HN TYR 72 6.697 10.133 0.585 586 HA TYR 72 HA TYR 72 4.050 9.487 1.306 587 1HB TYR 72 2HB TYR 72 5.771 11.839 2.157 588 2HB TYR 72 3HB TYR 72 4.343 11.279 2.994 589 HD1 TYR 72 HD1 TYR 72 4.397 8.734 3.765 590 HD2 TYR 72 HD2 TYR 72 7.889 11.089 2.899 591 HE1 TYR 72 HE1 TYR 72 5.656 7.492 5.513 592 HE2 TYR 72 HE2 TYR 72 9.168 9.830 4.574 593 HH TYR 72 HH TYR 72 8.736 8.593 6.662 594 H SER 73 HN SER 73 5.292 12.515 -0.264 595 HA SER 73 HA SER 73 2.896 13.961 -0.020 596 1HB SER 73 2HB SER 73 4.020 15.338 -1.817 597 2HB SER 73 3HB SER 73 4.945 15.053 -0.330 598 HG SER 73 HG SER 73 6.292 14.686 -2.034 599 H GLU 74 HN GLU 74 4.068 11.875 -2.656 600 HA GLU 74 HA GLU 74 1.926 12.361 -4.495 601 1HB GLU 74 2HB GLU 74 3.827 10.059 -4.135 602 2HB GLU 74 3HB GLU 74 2.537 10.085 -5.368 603 1HG GLU 74 2HG GLU 74 3.465 12.390 -6.069 604 2HG GLU 74 3HG GLU 74 4.896 11.987 -5.120 605 H PHE 75 HN PHE 75 2.337 10.033 -1.771 606 HA PHE 75 HA PHE 75 -0.254 8.880 -2.068 607 1HB PHE 75 2HB PHE 75 1.325 7.763 -0.692 608 2HB PHE 75 3HB PHE 75 1.706 9.162 0.215 609 HD1 PHE 75 HD1 PHE 75 1.067 9.218 2.411 610 HD2 PHE 75 HD2 PHE 75 -1.513 7.267 -0.432 611 HE1 PHE 75 HE1 PHE 75 -0.389 8.408 4.262 612 HE2 PHE 75 HE2 PHE 75 -2.895 6.381 1.414 613 HZ PHE 75 HZ PHE 75 -2.313 6.932 3.772 614 H ILE 76 HN ILE 76 0.727 12.016 -0.521 615 HA ILE 76 HA ILE 76 -1.829 12.402 0.738 616 HB ILE 76 HB ILE 76 0.190 14.522 -0.174 617 1HG1 ILE 76 2HG1 ILE 76 1.341 13.225 1.405 618 2HG1 ILE 76 3HG1 ILE 76 0.751 14.585 2.299 619 1HG2 ILE 76 1HG2 ILE 76 -2.163 14.720 1.768 620 2HG2 ILE 76 2HG2 ILE 76 -0.935 15.984 1.500 621 3HG2 ILE 76 3HG2 ILE 76 -2.040 15.533 0.202 622 1HD1 ILE 76 1HD1 ILE 76 0.480 12.593 3.629 623 2HD1 ILE 76 2HD1 ILE 76 -1.152 13.090 3.144 624 3HD1 ILE 76 3HD1 ILE 76 -0.342 11.729 2.337 625 H ASP 77 HN ASP 77 -0.697 13.153 -2.547 626 HA ASP 77 HA ASP 77 -3.065 14.584 -3.419 627 1HB ASP 77 2HB ASP 77 -1.047 14.688 -4.694 628 2HB ASP 77 3HB ASP 77 -0.931 12.962 -4.880 629 H LEU 78 HN LEU 78 -2.049 11.132 -3.445 630 HA LEU 78 HA LEU 78 -4.310 10.155 -4.570 631 1HB LEU 78 2HB LEU 78 -2.159 9.064 -2.763 632 2HB LEU 78 3HB LEU 78 -3.513 8.041 -3.143 633 HG LEU 78 HG LEU 78 -3.093 8.122 -5.401 634 1HD1 LEU 78 1HD1 LEU 78 -0.483 9.567 -5.350 635 2HD1 LEU 78 2HD1 LEU 78 -1.463 9.053 -6.718 636 3HD1 LEU 78 3HD1 LEU 78 -2.009 10.404 -5.738 637 1HD2 LEU 78 1HD2 LEU 78 -0.588 7.519 -3.832 638 2HD2 LEU 78 2HD2 LEU 78 -1.922 6.410 -4.198 639 3HD2 LEU 78 3HD2 LEU 78 -0.851 6.968 -5.492 640 H LEU 79 HN LEU 79 -4.338 11.754 -1.619 641 HA LEU 79 HA LEU 79 -6.726 10.284 -0.553 642 1HB LEU 79 2HB LEU 79 -4.936 12.240 0.893 643 2HB LEU 79 3HB LEU 79 -6.372 11.435 1.525 644 HG LEU 79 HG LEU 79 -3.724 10.174 0.763 645 1HD1 LEU 79 1HD1 LEU 79 -3.808 11.326 2.908 646 2HD1 LEU 79 2HD1 LEU 79 -5.209 10.324 3.394 647 3HD1 LEU 79 3HD1 LEU 79 -3.611 9.579 3.107 648 1HD2 LEU 79 1HD2 LEU 79 -5.291 8.560 0.028 649 2HD2 LEU 79 2HD2 LEU 79 -4.757 8.016 1.609 650 3HD2 LEU 79 3HD2 LEU 79 -6.346 8.818 1.422 651 H GLU 80 HN GLU 80 -6.131 13.555 0.223 652 HA GLU 80 HA GLU 80 -7.187 15.467 -0.174 653 1HB GLU 80 2HB GLU 80 -6.920 14.256 -2.942 654 2HB GLU 80 3HB GLU 80 -7.664 15.845 -2.740 655 1HG GLU 80 2HG GLU 80 -5.002 15.036 -1.577 656 2HG GLU 80 3HG GLU 80 -5.154 15.886 -3.130 657 H GLY 81 HN GLY 81 -8.955 13.233 0.617 658 1HA GLY 81 1HA GLY 81 -11.196 14.404 1.297 659 2HA GLY 81 2HA GLY 81 -11.593 14.132 -0.413 660 H GLU 82 HN GLU 82 -9.624 11.910 1.747 661 HA GLU 82 HA GLU 82 -11.634 9.832 1.219 662 1HB GLU 82 2HB GLU 82 -8.659 9.992 0.570 663 2HB GLU 82 3HB GLU 82 -9.528 8.480 0.707 664 1HG GLU 82 2HG GLU 82 -10.304 10.689 -1.256 665 2HG GLU 82 3HG GLU 82 -9.207 9.370 -1.644 666 H GLU 83 HN GLU 83 -12.028 8.699 2.983 667 HA GLU 83 HA GLU 83 -9.850 8.088 4.838 668 1HB GLU 83 2HB GLU 83 -12.340 9.631 5.437 669 2HB GLU 83 3HB GLU 83 -11.780 8.494 6.685 670 1HG GLU 83 2HG GLU 83 -9.552 9.619 6.588 671 2HG GLU 83 3HG GLU 83 -10.293 10.862 5.556 672 H LYS 84 HN LYS 84 -10.286 6.349 3.191 673 HA LYS 84 HA LYS 84 -11.678 4.229 4.747 674 1HB LYS 84 2HB LYS 84 -13.163 3.649 2.820 675 2HB LYS 84 3HB LYS 84 -13.486 5.265 3.404 676 1HG LYS 84 2HG LYS 84 -11.716 5.984 1.510 677 2HG LYS 84 3HG LYS 84 -12.089 4.384 0.861 678 1HD LYS 84 2HD LYS 84 -13.416 5.967 -0.252 679 2HD LYS 84 3HD LYS 84 -14.535 5.130 0.844 680 1HE LYS 84 2HE LYS 84 -14.700 6.990 2.289 681 2HE LYS 84 3HE LYS 84 -13.065 7.548 1.874 682 1HZ LYS 84 1HZ LYS 84 -13.822 8.298 -0.203 683 2HZ LYS 84 2HZ LYS 84 -15.404 7.846 0.110 684 3HZ LYS 84 3HZ LYS 84 -14.674 9.033 0.975 685 H PHE 85 HN PHE 85 -8.811 4.779 3.832 686 HA PHE 85 HA PHE 85 -8.188 2.060 3.353 687 1HB PHE 85 2HB PHE 85 -7.229 2.328 1.068 688 2HB PHE 85 3HB PHE 85 -8.938 2.586 1.019 689 HD1 PHE 85 HD1 PHE 85 -9.829 5.031 0.899 690 HD2 PHE 85 HD2 PHE 85 -5.659 4.043 0.382 691 HE1 PHE 85 HE1 PHE 85 -9.560 6.894 -0.646 692 HE2 PHE 85 HE2 PHE 85 -5.336 6.164 -0.861 693 HZ PHE 85 HZ PHE 85 -7.300 7.588 -1.407 694 H ILE 86 HN ILE 86 -7.255 4.120 5.160 695 HA ILE 86 HA ILE 86 -4.944 5.189 3.730 696 HB ILE 86 HB ILE 86 -5.753 6.216 6.408 697 1HG1 ILE 86 2HG1 ILE 86 -8.006 5.924 5.254 698 2HG1 ILE 86 3HG1 ILE 86 -7.593 7.572 5.559 699 1HG2 ILE 86 1HG2 ILE 86 -3.974 7.377 5.322 700 2HG2 ILE 86 2HG2 ILE 86 -4.844 7.365 3.771 701 3HG2 ILE 86 3HG2 ILE 86 -5.392 8.399 5.105 702 1HD1 ILE 86 1HD1 ILE 86 -7.092 6.327 2.816 703 2HD1 ILE 86 2HD1 ILE 86 -8.630 7.084 3.260 704 3HD1 ILE 86 3HD1 ILE 86 -7.162 8.047 3.259 705 H GLY 87 HN GLY 87 -3.172 5.906 5.735 706 1HA GLY 87 1HA GLY 87 -3.094 4.634 8.003 707 2HA GLY 87 2HA GLY 87 -2.018 3.601 7.032 Start of MODEL 18 1 1H MET 1 HN MET 1 15.702 -0.204 11.929 2 HA MET 1 HA MET 1 13.393 0.417 11.420 3 1HB MET 1 2HB MET 1 15.472 1.982 10.952 4 2HB MET 1 3HB MET 1 15.125 1.640 9.258 5 1HG MET 1 2HG MET 1 13.969 3.555 9.508 6 2HG MET 1 3HG MET 1 12.675 2.438 9.957 7 1HE MET 1 1HE MET 1 13.409 6.017 12.162 8 2HE MET 1 2HE MET 1 14.639 5.579 10.948 9 3HE MET 1 3HE MET 1 12.921 5.529 10.523 10 H ALA 2 HN ALA 2 11.643 -0.519 10.198 11 HA ALA 2 HA ALA 2 12.060 -0.979 7.340 12 1HB ALA 2 1HB ALA 2 11.283 -3.293 7.445 13 2HB ALA 2 2HB ALA 2 12.770 -3.140 8.383 14 3HB ALA 2 3HB ALA 2 11.201 -3.233 9.218 15 H LEU 3 HN LEU 3 10.004 -1.082 6.226 16 HA LEU 3 HA LEU 3 7.766 0.031 7.871 17 1HB LEU 3 2HB LEU 3 8.177 0.260 4.868 18 2HB LEU 3 3HB LEU 3 6.959 1.063 5.850 19 HG LEU 3 HG LEU 3 9.979 1.496 6.156 20 1HD1 LEU 3 1HD1 LEU 3 9.133 2.300 3.967 21 2HD1 LEU 3 2HD1 LEU 3 8.036 3.400 4.845 22 3HD1 LEU 3 3HD1 LEU 3 9.796 3.549 5.011 23 1HD2 LEU 3 1HD2 LEU 3 9.329 3.487 7.459 24 2HD2 LEU 3 2HD2 LEU 3 7.615 3.044 7.298 25 3HD2 LEU 3 3HD2 LEU 3 8.733 2.009 8.210 26 H VAL 4 HN VAL 4 7.175 -1.892 8.684 27 HA VAL 4 HA VAL 4 5.892 -3.803 6.831 28 HB VAL 4 HB VAL 4 7.674 -4.520 9.194 29 1HG1 VAL 4 1HG1 VAL 4 5.538 -6.055 8.323 30 2HG1 VAL 4 2HG1 VAL 4 6.875 -6.704 7.344 31 3HG1 VAL 4 3HG1 VAL 4 6.994 -6.674 9.093 32 1HG2 VAL 4 1HG2 VAL 4 8.081 -4.898 6.195 33 2HG2 VAL 4 2HG2 VAL 4 9.042 -3.879 7.283 34 3HG2 VAL 4 3HG2 VAL 4 9.091 -5.636 7.457 35 H LEU 5 HN LEU 5 4.430 -1.839 7.768 36 HA LEU 5 HA LEU 5 2.541 -3.153 9.345 37 1HB LEU 5 2HB LEU 5 2.500 -1.584 11.299 38 2HB LEU 5 3HB LEU 5 3.863 -2.691 11.293 39 HG LEU 5 HG LEU 5 4.529 -0.155 9.967 40 1HD1 LEU 5 1HD1 LEU 5 3.744 -0.097 12.928 41 2HD1 LEU 5 2HD1 LEU 5 4.654 1.172 12.091 42 3HD1 LEU 5 3HD1 LEU 5 2.991 0.833 11.608 43 1HD2 LEU 5 1HD2 LEU 5 6.504 -0.263 11.393 44 2HD2 LEU 5 2HD2 LEU 5 5.776 -1.551 12.381 45 3HD2 LEU 5 3HD2 LEU 5 6.205 -1.856 10.685 46 H VAL 6 HN VAL 6 1.855 -2.353 7.144 47 HA VAL 6 HA VAL 6 1.205 0.406 7.008 48 HB VAL 6 HB VAL 6 1.943 -0.773 5.077 49 1HG1 VAL 6 1HG1 VAL 6 -0.545 -2.477 5.372 50 2HG1 VAL 6 2HG1 VAL 6 0.381 -2.390 3.892 51 3HG1 VAL 6 3HG1 VAL 6 1.137 -3.016 5.372 52 1HG2 VAL 6 1HG2 VAL 6 -0.879 0.022 4.418 53 2HG2 VAL 6 2HG2 VAL 6 0.433 1.177 4.751 54 3HG2 VAL 6 3HG2 VAL 6 0.513 0.003 3.415 55 H LYS 7 HN LYS 7 -0.122 -0.452 9.216 56 HA LYS 7 HA LYS 7 -3.023 -0.451 8.382 57 1HB LYS 7 2HB LYS 7 -3.506 -1.682 10.463 58 2HB LYS 7 3HB LYS 7 -2.549 -2.590 9.282 59 1HG LYS 7 2HG LYS 7 -0.677 -2.639 10.609 60 2HG LYS 7 3HG LYS 7 -1.079 -1.131 11.465 61 1HD LYS 7 2HD LYS 7 -2.720 -2.182 12.810 62 2HD LYS 7 3HD LYS 7 -2.691 -3.672 11.862 63 1HE LYS 7 2HE LYS 7 -0.752 -4.455 12.770 64 2HE LYS 7 3HE LYS 7 -0.055 -2.841 12.973 65 1HZ LYS 7 1HZ LYS 7 -1.393 -2.505 14.875 66 2HZ LYS 7 2HZ LYS 7 -2.181 -3.936 14.721 67 3HZ LYS 7 3HZ LYS 7 -0.562 -3.928 15.055 68 H TYR 8 HN TYR 8 -1.135 1.905 8.943 69 HA TYR 8 HA TYR 8 -2.907 3.223 10.952 70 1HB TYR 8 2HB TYR 8 -0.230 2.329 11.395 71 2HB TYR 8 3HB TYR 8 -0.069 4.039 11.103 72 HD1 TYR 8 HD1 TYR 8 -0.574 1.638 13.540 73 HD2 TYR 8 HD2 TYR 8 -1.955 5.538 12.405 74 HE1 TYR 8 HE1 TYR 8 -1.494 1.932 15.810 75 HE2 TYR 8 HE2 TYR 8 -2.869 5.892 14.655 76 HH TYR 8 HH TYR 8 -3.451 4.836 16.657 77 H GLY 9 HN GLY 9 -2.895 3.311 8.039 78 1HA GLY 9 1HA GLY 9 -2.949 4.814 6.302 79 2HA GLY 9 2HA GLY 9 -3.047 6.104 7.489 80 H THR 10 HN THR 10 -1.158 7.181 7.955 81 HA THR 10 HA THR 10 0.416 7.121 5.526 82 HB THR 10 HB THR 10 1.173 9.415 6.576 83 HG1 THR 10 HG1 THR 10 -0.039 10.170 8.068 84 1HG2 THR 10 1HG2 THR 10 -0.989 10.343 5.537 85 2HG2 THR 10 2HG2 THR 10 -0.108 9.206 4.512 86 3HG2 THR 10 3HG2 THR 10 -1.552 8.661 5.363 87 H ASP 11 HN ASP 11 1.353 5.089 7.230 88 HA ASP 11 HA ASP 11 4.042 6.151 7.934 89 1HB ASP 11 2HB ASP 11 2.597 5.803 9.871 90 2HB ASP 11 3HB ASP 11 2.288 4.142 9.395 91 H HIS 12 HN HIS 12 3.562 5.085 5.362 92 HA HIS 12 HA HIS 12 5.767 3.317 5.218 93 1HB HIS 12 2HB HIS 12 4.861 1.328 4.599 94 2HB HIS 12 3HB HIS 12 3.589 1.826 5.699 95 HD1 HIS 12 HD1 HIS 12 2.121 3.828 3.467 96 HD2 HIS 12 HD2 HIS 12 3.488 -0.102 2.856 97 HE1 HIS 12 HE1 HIS 12 0.876 2.941 1.512 98 HA PRO 13 HA PRO 13 5.802 5.565 1.454 99 1HB PRO 13 2HB PRO 13 6.871 3.987 -0.493 100 2HB PRO 13 3HB PRO 13 7.737 4.563 0.934 101 1HG PRO 13 2HG PRO 13 6.651 1.805 0.413 102 2HG PRO 13 3HG PRO 13 8.144 2.277 1.275 103 1HD PRO 13 2HD PRO 13 5.601 1.654 2.393 104 2HD PRO 13 3HD PRO 13 6.974 2.372 3.262 105 H VAL 14 HN VAL 14 5.083 5.826 -0.856 106 HA VAL 14 HA VAL 14 3.909 4.457 -2.611 107 HB VAL 14 HB VAL 14 1.838 5.062 -0.499 108 1HG1 VAL 14 1HG1 VAL 14 0.011 4.748 -2.298 109 2HG1 VAL 14 2HG1 VAL 14 0.772 6.311 -2.173 110 3HG1 VAL 14 3HG1 VAL 14 1.257 5.184 -3.475 111 1HG2 VAL 14 1HG2 VAL 14 2.827 2.663 -1.649 112 2HG2 VAL 14 2HG2 VAL 14 1.464 2.852 -0.564 113 3HG2 VAL 14 3HG2 VAL 14 1.195 2.842 -2.287 114 H GLU 15 HN GLU 15 3.150 7.325 -0.684 115 HA GLU 15 HA GLU 15 3.829 9.092 -2.993 116 1HB GLU 15 2HB GLU 15 1.121 8.640 -1.645 117 2HB GLU 15 3HB GLU 15 1.487 10.191 -2.384 118 1HG GLU 15 2HG GLU 15 2.219 8.951 -4.423 119 2HG GLU 15 3HG GLU 15 1.563 7.499 -3.792 120 H LYS 16 HN LYS 16 5.293 8.654 -0.656 121 HA LYS 16 HA LYS 16 6.069 11.223 -0.187 122 1HB LYS 16 2HB LYS 16 3.773 11.044 1.323 123 2HB LYS 16 3HB LYS 16 4.913 10.435 2.477 124 1HG LYS 16 2HG LYS 16 4.816 12.728 2.812 125 2HG LYS 16 3HG LYS 16 6.370 12.472 2.013 126 1HD LYS 16 2HD LYS 16 5.560 13.350 -0.102 127 2HD LYS 16 3HD LYS 16 3.880 13.249 0.415 128 1HE LYS 16 2HE LYS 16 5.952 15.037 1.732 129 2HE LYS 16 3HE LYS 16 4.848 15.566 0.436 130 1HZ LYS 16 1HZ LYS 16 4.129 14.721 3.163 131 2HZ LYS 16 2HZ LYS 16 3.742 16.139 2.430 132 3HZ LYS 16 3HZ LYS 16 3.011 14.764 1.956 133 H LEU 17 HN LEU 17 5.706 8.682 2.276 134 HA LEU 17 HA LEU 17 8.237 8.483 3.032 135 1HB LEU 17 2HB LEU 17 5.922 6.938 3.410 136 2HB LEU 17 3HB LEU 17 7.277 5.811 3.269 137 HG LEU 17 HG LEU 17 7.326 8.262 5.066 138 1HD1 LEU 17 1HD1 LEU 17 6.667 5.417 5.893 139 2HD1 LEU 17 2HD1 LEU 17 6.766 6.850 6.935 140 3HD1 LEU 17 3HD1 LEU 17 5.483 6.743 5.728 141 1HD2 LEU 17 1HD2 LEU 17 8.999 5.717 5.101 142 2HD2 LEU 17 2HD2 LEU 17 9.545 7.250 4.425 143 3HD2 LEU 17 3HD2 LEU 17 9.186 7.136 6.155 144 H LYS 18 HN LYS 18 6.889 7.173 0.123 145 HA LYS 18 HA LYS 18 9.031 5.486 -0.693 146 1HB LYS 18 2HB LYS 18 7.784 5.077 -2.486 147 2HB LYS 18 3HB LYS 18 6.562 6.074 -1.766 148 1HG LYS 18 2HG LYS 18 8.629 7.143 -3.733 149 2HG LYS 18 3HG LYS 18 7.066 6.486 -4.195 150 1HD LYS 18 2HD LYS 18 5.849 8.178 -3.179 151 2HD LYS 18 3HD LYS 18 7.115 8.699 -2.119 152 1HE LYS 18 2HE LYS 18 6.469 10.166 -4.082 153 2HE LYS 18 3HE LYS 18 8.213 9.900 -3.789 154 1HZ LYS 18 1HZ LYS 18 7.727 9.743 -6.124 155 2HZ LYS 18 2HZ LYS 18 8.158 8.248 -5.584 156 3HZ LYS 18 3HZ LYS 18 6.556 8.646 -5.844 157 H ILE 19 HN ILE 19 8.697 9.030 -0.862 158 HA ILE 19 HA ILE 19 10.845 9.319 -2.759 159 HB ILE 19 HB ILE 19 8.672 10.783 -1.857 160 1HG1 ILE 19 2HG1 ILE 19 10.874 12.211 -3.334 161 2HG1 ILE 19 3HG1 ILE 19 10.017 10.848 -4.073 162 1HG2 ILE 19 1HG2 ILE 19 10.944 12.519 -0.963 163 2HG2 ILE 19 2HG2 ILE 19 9.209 12.845 -0.905 164 3HG2 ILE 19 3HG2 ILE 19 9.888 11.606 0.146 165 1HD1 ILE 19 1HD1 ILE 19 8.851 12.803 -4.754 166 2HD1 ILE 19 2HD1 ILE 19 7.832 12.032 -3.515 167 3HD1 ILE 19 3HD1 ILE 19 8.809 13.456 -3.111 168 H ARG 20 HN ARG 20 10.468 8.962 0.642 169 HA ARG 20 HA ARG 20 13.092 9.893 1.408 170 1HB ARG 20 2HB ARG 20 11.499 7.982 3.085 171 2HB ARG 20 3HB ARG 20 12.473 9.331 3.611 172 1HG ARG 20 2HG ARG 20 9.766 9.459 2.264 173 2HG ARG 20 3HG ARG 20 9.983 9.495 3.994 174 1HD ARG 20 2HD ARG 20 9.470 11.568 2.317 175 2HD ARG 20 3HD ARG 20 10.059 11.705 3.966 176 HE ARG 20 HE ARG 20 11.620 12.229 1.547 177 1HH1 ARG 20 2HH2 ARG 20 11.948 11.327 5.014 178 2HH1 ARG 20 1HH2 ARG 20 13.467 12.155 5.173 179 1HH2 ARG 20 2HH1 ARG 20 13.788 12.815 1.740 180 2HH2 ARG 20 1HH1 ARG 20 14.590 12.848 3.274 181 H SER 21 HN SER 21 11.662 6.828 0.316 182 HA SER 21 HA SER 21 14.160 5.607 -0.281 183 1HB SER 21 2HB SER 21 12.640 4.669 2.188 184 2HB SER 21 3HB SER 21 13.730 3.603 1.288 185 HG SER 21 HG SER 21 14.669 6.117 2.089 186 H ALA 22 HN ALA 22 13.054 5.363 -2.331 187 HA ALA 22 HA ALA 22 12.021 2.788 -2.673 188 1HB ALA 22 1HB ALA 22 9.784 3.304 -3.715 189 2HB ALA 22 2HB ALA 22 9.768 3.689 -2.000 190 3HB ALA 22 3HB ALA 22 9.950 4.982 -3.213 191 H LYS 23 HN LYS 23 11.967 2.247 -4.901 192 HA LYS 23 HA LYS 23 12.392 4.421 -6.847 193 1HB LYS 23 2HB LYS 23 14.410 2.604 -6.230 194 2HB LYS 23 3HB LYS 23 13.640 1.849 -7.604 195 1HG LYS 23 2HG LYS 23 15.243 3.279 -8.619 196 2HG LYS 23 3HG LYS 23 13.770 4.233 -8.722 197 1HD LYS 23 2HD LYS 23 15.401 5.753 -7.905 198 2HD LYS 23 3HD LYS 23 14.470 5.308 -6.477 199 1HE LYS 23 2HE LYS 23 16.751 5.270 -5.832 200 2HE LYS 23 3HE LYS 23 16.240 3.575 -5.939 201 1HZ LYS 23 1HZ LYS 23 17.356 3.427 -8.064 202 2HZ LYS 23 2HZ LYS 23 17.721 5.043 -8.040 203 3HZ LYS 23 3HZ LYS 23 18.418 4.042 -6.974 204 H ALA 24 HN ALA 24 12.224 2.952 -9.213 205 HA ALA 24 HA ALA 24 9.332 2.619 -9.280 206 1HB ALA 24 1HB ALA 24 11.370 1.775 -11.379 207 2HB ALA 24 2HB ALA 24 9.656 2.115 -11.618 208 3HB ALA 24 3HB ALA 24 10.779 3.447 -11.233 209 H GLU 25 HN GLU 25 12.262 0.663 -9.079 210 HA GLU 25 HA GLU 25 10.677 -1.807 -8.997 211 1HB GLU 25 2HB GLU 25 13.391 -1.390 -9.929 212 2HB GLU 25 3HB GLU 25 13.469 -2.408 -8.496 213 1HG GLU 25 2HG GLU 25 11.639 -2.958 -10.834 214 2HG GLU 25 3HG GLU 25 13.242 -3.658 -10.644 215 H ASP 26 HN ASP 26 9.715 -0.474 -7.229 216 HA ASP 26 HA ASP 26 10.890 -1.831 -4.927 217 1HB ASP 26 2HB ASP 26 11.006 0.897 -5.022 218 2HB ASP 26 3HB ASP 26 9.464 0.691 -4.246 219 H LYS 27 HN LYS 27 9.080 -2.022 -3.150 220 HA LYS 27 HA LYS 27 6.706 -3.107 -4.627 221 1HB LYS 27 2HB LYS 27 8.533 -4.462 -2.594 222 2HB LYS 27 3HB LYS 27 7.052 -5.144 -3.284 223 1HG LYS 27 2HG LYS 27 8.003 -5.240 -5.484 224 2HG LYS 27 3HG LYS 27 9.458 -4.361 -4.991 225 1HD LYS 27 2HD LYS 27 10.276 -6.149 -3.673 226 2HD LYS 27 3HD LYS 27 8.720 -6.997 -3.682 227 1HE LYS 27 2HE LYS 27 8.889 -7.217 -6.177 228 2HE LYS 27 3HE LYS 27 10.498 -6.496 -6.109 229 1HZ LYS 27 1HZ LYS 27 9.681 -9.057 -4.863 230 2HZ LYS 27 2HZ LYS 27 10.627 -8.826 -6.191 231 3HZ LYS 27 3HZ LYS 27 11.189 -8.353 -4.729 232 H ILE 28 HN ILE 28 4.725 -2.592 -3.567 233 HA ILE 28 HA ILE 28 4.723 -2.366 -0.665 234 HB ILE 28 HB ILE 28 3.570 -0.023 -2.098 235 1HG1 ILE 28 2HG1 ILE 28 6.522 0.136 -1.373 236 2HG1 ILE 28 3HG1 ILE 28 5.972 -0.100 -3.038 237 1HG2 ILE 28 1HG2 ILE 28 4.133 1.032 0.077 238 2HG2 ILE 28 2HG2 ILE 28 3.392 -0.509 0.382 239 3HG2 ILE 28 3HG2 ILE 28 5.145 -0.351 0.521 240 1HD1 ILE 28 1HD1 ILE 28 4.734 1.948 -3.026 241 2HD1 ILE 28 2HD1 ILE 28 5.190 2.255 -1.345 242 3HD1 ILE 28 3HD1 ILE 28 6.437 2.235 -2.608 243 H VAL 29 HN VAL 29 2.532 -2.100 0.152 244 HA VAL 29 HA VAL 29 0.242 -2.479 -1.514 245 HB VAL 29 HB VAL 29 1.189 -4.692 0.332 246 1HG1 VAL 29 1HG1 VAL 29 -1.628 -4.330 -0.833 247 2HG1 VAL 29 2HG1 VAL 29 -1.034 -5.820 -0.085 248 3HG1 VAL 29 3HG1 VAL 29 -1.188 -4.389 0.898 249 1HG2 VAL 29 1HG2 VAL 29 0.437 -6.058 -1.772 250 2HG2 VAL 29 2HG2 VAL 29 0.554 -4.510 -2.603 251 3HG2 VAL 29 3HG2 VAL 29 1.982 -5.187 -1.798 252 H LEU 30 HN LEU 30 -1.759 -2.082 -0.142 253 HA LEU 30 HA LEU 30 -1.170 -0.753 2.443 254 1HB LEU 30 2HB LEU 30 -3.619 0.199 1.245 255 2HB LEU 30 3HB LEU 30 -2.269 1.120 1.851 256 HG LEU 30 HG LEU 30 -2.426 0.069 -0.989 257 1HD1 LEU 30 1HD1 LEU 30 -4.279 1.575 -0.667 258 2HD1 LEU 30 2HD1 LEU 30 -3.270 2.739 0.179 259 3HD1 LEU 30 3HD1 LEU 30 -3.011 2.430 -1.554 260 1HD2 LEU 30 1HD2 LEU 30 -0.128 0.613 -0.281 261 2HD2 LEU 30 2HD2 LEU 30 -0.743 1.897 -1.341 262 3HD2 LEU 30 3HD2 LEU 30 -0.699 2.138 0.405 263 H ILE 31 HN ILE 31 -2.529 -1.160 4.226 264 HA ILE 31 HA ILE 31 -4.957 -2.727 3.663 265 HB ILE 31 HB ILE 31 -4.431 -4.442 5.070 266 1HG1 ILE 31 2HG1 ILE 31 -2.422 -2.687 6.407 267 2HG1 ILE 31 3HG1 ILE 31 -3.843 -3.410 7.051 268 1HG2 ILE 31 1HG2 ILE 31 -2.478 -5.530 4.304 269 2HG2 ILE 31 2HG2 ILE 31 -2.940 -4.464 2.999 270 3HG2 ILE 31 3HG2 ILE 31 -1.617 -4.000 4.049 271 1HD1 ILE 31 1HD1 ILE 31 -2.026 -4.607 7.903 272 2HD1 ILE 31 2HD1 ILE 31 -2.902 -5.664 6.746 273 3HD1 ILE 31 3HD1 ILE 31 -1.359 -4.903 6.289 274 H GLN 32 HN GLN 32 -6.111 -2.947 5.877 275 HA GLN 32 HA GLN 32 -7.581 -1.844 7.159 276 1HB GLN 32 2HB GLN 32 -5.023 -1.268 8.665 277 2HB GLN 32 3HB GLN 32 -6.633 -1.103 9.353 278 1HG GLN 32 2HG GLN 32 -5.428 -3.660 8.321 279 2HG GLN 32 3HG GLN 32 -5.489 -3.112 9.949 280 1HE2 GLN 32 1HE2 GLN 32 -7.062 -4.809 7.457 281 2HE2 GLN 32 2HE2 GLN 32 -8.713 -4.899 7.997 282 H ASN 33 HN ASN 33 -5.043 0.500 7.914 283 HA ASN 33 HA ASN 33 -6.912 2.697 7.074 284 1HB ASN 33 2HB ASN 33 -4.704 3.035 9.146 285 2HB ASN 33 3HB ASN 33 -5.949 4.170 8.658 286 1HD2 ASN 33 1HD2 ASN 33 -5.273 1.365 10.743 287 2HD2 ASN 33 2HD2 ASN 33 -6.913 1.298 11.359 288 H GLY 34 HN GLY 34 -3.873 1.113 6.652 289 1HA GLY 34 1HA GLY 34 -2.166 2.988 5.341 290 2HA GLY 34 2HA GLY 34 -2.383 1.286 5.023 291 H VAL 35 HN VAL 35 -5.204 1.279 4.248 292 HA VAL 35 HA VAL 35 -5.047 1.910 1.536 293 HB VAL 35 HB VAL 35 -7.469 1.820 1.476 294 1HG1 VAL 35 1HG1 VAL 35 -6.041 -0.222 1.395 295 2HG1 VAL 35 2HG1 VAL 35 -6.285 -0.426 3.129 296 3HG1 VAL 35 3HG1 VAL 35 -7.670 -0.510 2.020 297 1HG2 VAL 35 1HG2 VAL 35 -8.689 1.073 3.564 298 2HG2 VAL 35 2HG2 VAL 35 -7.264 1.476 4.495 299 3HG2 VAL 35 3HG2 VAL 35 -8.141 2.769 3.646 300 H PHE 36 HN PHE 36 -5.524 4.314 4.095 301 HA PHE 36 HA PHE 36 -6.544 6.402 2.510 302 1HB PHE 36 2HB PHE 36 -4.847 6.189 4.989 303 2HB PHE 36 3HB PHE 36 -4.900 7.710 4.193 304 HD1 PHE 36 HD1 PHE 36 -7.111 5.135 5.789 305 HD2 PHE 36 HD2 PHE 36 -6.811 9.160 4.266 306 HE1 PHE 36 HE1 PHE 36 -9.257 5.708 6.866 307 HE2 PHE 36 HE2 PHE 36 -8.951 9.726 5.353 308 HZ PHE 36 HZ PHE 36 -10.183 8.006 6.672 309 H TRP 37 HN TRP 37 -3.569 4.803 1.990 310 HA TRP 37 HA TRP 37 -2.151 7.085 0.880 311 1HB TRP 37 2HB TRP 37 -1.716 4.104 0.730 312 2HB TRP 37 3HB TRP 37 -0.783 5.218 -0.255 313 HD1 TRP 37 HD1 TRP 37 -0.934 3.803 3.173 314 HE1 TRP 37 HE1 TRP 37 0.653 4.964 4.747 315 HE3 TRP 37 HE3 TRP 37 0.639 7.438 0.038 316 HZ2 TRP 37 HZ2 TRP 37 2.694 7.153 4.535 317 HZ3 TRP 37 HZ3 TRP 37 2.290 9.167 0.777 318 HH2 TRP 37 HH2 TRP 37 3.379 8.955 3.019 319 H ALA 38 HN ALA 38 -4.699 5.009 -0.395 320 HA ALA 38 HA ALA 38 -3.955 5.471 -3.229 321 1HB ALA 38 1HB ALA 38 -6.422 4.239 -1.935 322 2HB ALA 38 2HB ALA 38 -5.955 4.122 -3.636 323 3HB ALA 38 3HB ALA 38 -4.975 3.316 -2.413 324 H LEU 39 HN LEU 39 -4.285 7.819 -1.804 325 HA LEU 39 HA LEU 39 -6.147 9.495 -3.147 326 1HB LEU 39 2HB LEU 39 -7.819 9.703 -1.316 327 2HB LEU 39 3HB LEU 39 -7.859 8.247 -2.266 328 HG LEU 39 HG LEU 39 -6.288 7.477 -0.088 329 1HD1 LEU 39 1HD1 LEU 39 -8.593 9.176 0.910 330 2HD1 LEU 39 2HD1 LEU 39 -7.655 8.028 1.889 331 3HD1 LEU 39 3HD1 LEU 39 -6.853 9.435 1.208 332 1HD2 LEU 39 1HD2 LEU 39 -9.225 7.027 -0.540 333 2HD2 LEU 39 2HD2 LEU 39 -7.917 6.076 -1.232 334 3HD2 LEU 39 3HD2 LEU 39 -8.175 6.067 0.525 335 H GLU 40 HN GLU 40 -3.493 9.494 -2.534 336 HA GLU 40 HA GLU 40 -3.067 11.724 -0.641 337 1HB GLU 40 2HB GLU 40 -1.287 9.578 -1.877 338 2HB GLU 40 3HB GLU 40 -0.587 11.014 -1.147 339 1HG GLU 40 2HG GLU 40 -2.498 9.149 0.292 340 2HG GLU 40 3HG GLU 40 -0.751 8.993 0.335 341 H GLU 41 HN GLU 41 -0.919 12.898 -1.823 342 HA GLU 41 HA GLU 41 -1.850 13.702 -4.524 343 1HB GLU 41 2HB GLU 41 -1.652 16.066 -3.825 344 2HB GLU 41 3HB GLU 41 -2.920 15.155 -3.017 345 1HG GLU 41 2HG GLU 41 -1.461 14.913 -0.984 346 2HG GLU 41 3HG GLU 41 -0.227 15.886 -1.786 347 H LEU 42 HN LEU 42 0.039 12.063 -4.648 348 HA LEU 42 HA LEU 42 2.435 13.617 -5.339 349 1HB LEU 42 2HB LEU 42 2.083 12.326 -2.866 350 2HB LEU 42 3HB LEU 42 3.037 11.172 -3.788 351 HG LEU 42 HG LEU 42 4.477 12.582 -2.452 352 1HD1 LEU 42 1HD1 LEU 42 5.327 11.873 -4.642 353 2HD1 LEU 42 2HD1 LEU 42 4.847 13.455 -5.307 354 3HD1 LEU 42 3HD1 LEU 42 6.031 13.363 -3.985 355 1HD2 LEU 42 1HD2 LEU 42 2.949 14.522 -2.252 356 2HD2 LEU 42 2HD2 LEU 42 4.634 14.948 -2.575 357 3HD2 LEU 42 3HD2 LEU 42 3.439 15.036 -3.879 358 H GLU 43 HN GLU 43 3.642 10.692 -5.438 359 HA GLU 43 HA GLU 43 1.983 9.225 -7.231 360 1HB GLU 43 2HB GLU 43 3.771 9.259 -9.085 361 2HB GLU 43 3HB GLU 43 2.702 10.658 -8.961 362 1HG GLU 43 2HG GLU 43 4.404 12.016 -7.919 363 2HG GLU 43 3HG GLU 43 5.421 10.598 -7.648 364 H THR 44 HN THR 44 3.008 7.220 -7.733 365 HA THR 44 HA THR 44 5.572 6.447 -6.386 366 HB THR 44 HB THR 44 3.751 5.312 -5.188 367 HG1 THR 44 HG1 THR 44 4.432 3.138 -6.285 368 1HG2 THR 44 1HG2 THR 44 2.191 3.830 -6.219 369 2HG2 THR 44 2HG2 THR 44 2.050 5.351 -7.055 370 3HG2 THR 44 3HG2 THR 44 2.977 4.006 -7.783 371 HA PRO 45 HA PRO 45 6.064 4.678 -10.479 372 1HB PRO 45 2HB PRO 45 8.711 4.351 -10.483 373 2HB PRO 45 3HB PRO 45 8.008 5.960 -10.694 374 1HG PRO 45 2HG PRO 45 9.331 4.765 -8.284 375 2HG PRO 45 3HG PRO 45 9.355 6.450 -8.847 376 1HD PRO 45 2HD PRO 45 7.628 5.211 -6.916 377 2HD PRO 45 3HD PRO 45 7.482 6.899 -7.551 378 H ALA 46 HN ALA 46 6.616 3.516 -7.236 379 HA ALA 46 HA ALA 46 7.500 0.807 -7.862 380 1HB ALA 46 1HB ALA 46 7.056 0.521 -5.401 381 2HB ALA 46 2HB ALA 46 8.121 1.895 -5.713 382 3HB ALA 46 3HB ALA 46 6.420 2.141 -5.316 383 H LYS 47 HN LYS 47 5.973 -1.134 -6.992 384 HA LYS 47 HA LYS 47 3.407 -0.642 -8.279 385 1HB LYS 47 2HB LYS 47 3.076 -3.025 -7.699 386 2HB LYS 47 3HB LYS 47 4.372 -2.714 -8.847 387 1HG LYS 47 2HG LYS 47 6.053 -3.033 -7.167 388 2HG LYS 47 3HG LYS 47 4.886 -2.962 -5.876 389 1HD LYS 47 2HD LYS 47 5.823 -5.236 -6.336 390 2HD LYS 47 3HD LYS 47 4.093 -5.021 -6.292 391 1HE LYS 47 2HE LYS 47 4.619 -6.531 -8.123 392 2HE LYS 47 3HE LYS 47 4.059 -5.023 -8.833 393 1HZ LYS 47 1HZ LYS 47 6.919 -5.790 -8.530 394 2HZ LYS 47 2HZ LYS 47 6.032 -5.919 -9.894 395 3HZ LYS 47 3HZ LYS 47 6.353 -4.442 -9.291 396 H VAL 48 HN VAL 48 1.490 -0.617 -7.181 397 HA VAL 48 HA VAL 48 1.504 -0.593 -4.250 398 HB VAL 48 HB VAL 48 0.938 1.723 -6.153 399 1HG1 VAL 48 1HG1 VAL 48 -0.124 2.921 -4.231 400 2HG1 VAL 48 2HG1 VAL 48 -1.089 1.587 -4.864 401 3HG1 VAL 48 3HG1 VAL 48 -0.181 1.355 -3.366 402 1HG2 VAL 48 1HG2 VAL 48 2.574 1.310 -3.621 403 2HG2 VAL 48 2HG2 VAL 48 3.180 1.711 -5.237 404 3HG2 VAL 48 3HG2 VAL 48 2.281 2.912 -4.300 405 H TYR 49 HN TYR 49 -0.265 -1.566 -3.569 406 HA TYR 49 HA TYR 49 -2.631 -1.899 -5.274 407 1HB TYR 49 2HB TYR 49 -1.064 -4.157 -3.943 408 2HB TYR 49 3HB TYR 49 -2.575 -4.289 -4.802 409 HD1 TYR 49 HD1 TYR 49 1.230 -3.980 -5.299 410 HD2 TYR 49 HD2 TYR 49 -2.671 -4.315 -7.220 411 HE1 TYR 49 HE1 TYR 49 2.213 -4.917 -7.298 412 HE2 TYR 49 HE2 TYR 49 -1.590 -5.049 -9.282 413 HH TYR 49 HH TYR 49 0.454 -5.913 -10.161 414 H ALA 50 HN ALA 50 -4.523 -2.288 -3.779 415 HA ALA 50 HA ALA 50 -3.856 -1.861 -0.855 416 1HB ALA 50 1HB ALA 50 -5.043 0.026 -2.293 417 2HB ALA 50 2HB ALA 50 -6.459 -1.017 -2.030 418 3HB ALA 50 3HB ALA 50 -5.583 -0.386 -0.659 419 H ILE 51 HN ILE 51 -5.486 -3.055 0.671 420 HA ILE 51 HA ILE 51 -6.445 -5.531 -0.570 421 HB ILE 51 HB ILE 51 -6.171 -4.482 2.279 422 1HG1 ILE 51 2HG1 ILE 51 -4.133 -5.214 1.514 423 2HG1 ILE 51 3HG1 ILE 51 -4.835 -6.480 2.539 424 1HG2 ILE 51 1HG2 ILE 51 -7.297 -7.220 1.456 425 2HG2 ILE 51 2HG2 ILE 51 -7.117 -6.532 3.091 426 3HG2 ILE 51 3HG2 ILE 51 -8.311 -5.879 2.001 427 1HD1 ILE 51 1HD1 ILE 51 -5.439 -7.596 0.226 428 2HD1 ILE 51 2HD1 ILE 51 -4.287 -6.425 -0.455 429 3HD1 ILE 51 3HD1 ILE 51 -3.739 -7.595 0.751 430 H LYS 52 HN LYS 52 -8.207 -5.535 -1.600 431 HA LYS 52 HA LYS 52 -10.101 -3.504 -1.464 432 1HB LYS 52 2HB LYS 52 -9.724 -5.229 -3.295 433 2HB LYS 52 3HB LYS 52 -10.725 -6.353 -2.353 434 1HG LYS 52 2HG LYS 52 -12.589 -4.810 -2.433 435 2HG LYS 52 3HG LYS 52 -11.587 -3.508 -3.067 436 1HD LYS 52 2HD LYS 52 -12.791 -4.183 -4.889 437 2HD LYS 52 3HD LYS 52 -11.213 -4.932 -5.160 438 1HE LYS 52 2HE LYS 52 -12.065 -7.118 -4.499 439 2HE LYS 52 3HE LYS 52 -13.543 -6.394 -3.845 440 1HZ LYS 52 1HZ LYS 52 -12.825 -6.540 -6.706 441 2HZ LYS 52 2HZ LYS 52 -14.090 -7.279 -5.936 442 3HZ LYS 52 3HZ LYS 52 -14.059 -5.649 -6.114 443 H ASP 53 HN ASP 53 -10.330 -6.711 0.128 444 HA ASP 53 HA ASP 53 -12.764 -6.379 1.427 445 1HB ASP 53 2HB ASP 53 -11.380 -8.444 1.443 446 2HB ASP 53 3HB ASP 53 -10.312 -7.721 2.634 447 H ASP 54 HN ASP 54 -9.565 -5.077 2.753 448 HA ASP 54 HA ASP 54 -11.143 -3.949 4.929 449 1HB ASP 54 2HB ASP 54 -9.187 -3.099 5.878 450 2HB ASP 54 3HB ASP 54 -9.007 -4.821 5.457 451 H PHE 55 HN PHE 55 -9.921 -2.679 1.832 452 HA PHE 55 HA PHE 55 -10.486 0.048 2.398 453 1HB PHE 55 2HB PHE 55 -9.401 -1.017 0.304 454 2HB PHE 55 3HB PHE 55 -11.017 -1.390 -0.223 455 HD1 PHE 55 HD1 PHE 55 -9.550 1.718 1.382 456 HD2 PHE 55 HD2 PHE 55 -11.585 0.036 -2.022 457 HE1 PHE 55 HE1 PHE 55 -9.500 3.929 0.269 458 HE2 PHE 55 HE2 PHE 55 -11.601 2.260 -3.085 459 HZ PHE 55 HZ PHE 55 -10.497 4.199 -1.988 460 H LEU 56 HN LEU 56 -12.516 -2.609 1.315 461 HA LEU 56 HA LEU 56 -15.032 -1.206 1.153 462 1HB LEU 56 2HB LEU 56 -14.297 -4.126 1.642 463 2HB LEU 56 3HB LEU 56 -15.914 -3.555 1.321 464 HG LEU 56 HG LEU 56 -13.660 -3.070 -0.657 465 1HD1 LEU 56 1HD1 LEU 56 -14.656 -5.106 -1.851 466 2HD1 LEU 56 2HD1 LEU 56 -13.859 -5.514 -0.328 467 3HD1 LEU 56 3HD1 LEU 56 -15.627 -5.435 -0.407 468 1HD2 LEU 56 1HD2 LEU 56 -16.701 -3.295 -1.088 469 2HD2 LEU 56 2HD2 LEU 56 -15.843 -1.758 -0.897 470 3HD2 LEU 56 3HD2 LEU 56 -15.464 -2.816 -2.264 471 H ALA 57 HN ALA 57 -13.148 -2.562 3.804 472 HA ALA 57 HA ALA 57 -15.380 -2.462 5.680 473 1HB ALA 57 1HB ALA 57 -13.458 -4.114 5.874 474 2HB ALA 57 2HB ALA 57 -12.423 -2.742 6.335 475 3HB ALA 57 3HB ALA 57 -13.808 -3.176 7.342 476 H ARG 58 HN ARG 58 -13.300 -0.248 4.148 477 HA ARG 58 HA ARG 58 -13.407 1.703 6.438 478 1HB ARG 58 2HB ARG 58 -11.575 1.108 4.078 479 2HB ARG 58 3HB ARG 58 -11.599 2.722 4.656 480 1HG ARG 58 2HG ARG 58 -11.163 0.621 6.752 481 2HG ARG 58 3HG ARG 58 -9.930 0.840 5.501 482 1HD ARG 58 2HD ARG 58 -9.470 2.297 7.487 483 2HD ARG 58 3HD ARG 58 -9.674 3.178 5.989 484 HE ARG 58 HE ARG 58 -12.179 3.278 6.807 485 1HH1 ARG 58 2HH2 ARG 58 -9.404 3.776 9.065 486 2HH1 ARG 58 1HH2 ARG 58 -10.116 5.242 9.665 487 1HH2 ARG 58 2HH1 ARG 58 -13.036 5.102 7.687 488 2HH2 ARG 58 1HH1 ARG 58 -12.196 5.950 8.958 489 H GLY 59 HN GLY 59 -15.688 1.098 4.607 490 1HA GLY 59 1HA GLY 59 -17.282 2.241 3.421 491 2HA GLY 59 2HA GLY 59 -16.732 3.631 4.373 492 H TYR 60 HN TYR 60 -14.905 1.916 1.636 493 HA TYR 60 HA TYR 60 -15.210 4.432 0.073 494 1HB TYR 60 2HB TYR 60 -12.975 2.391 0.223 495 2HB TYR 60 3HB TYR 60 -13.173 3.545 -1.046 496 HD1 TYR 60 HD1 TYR 60 -12.232 3.139 2.462 497 HD2 TYR 60 HD2 TYR 60 -12.500 5.867 -0.828 498 HE1 TYR 60 HE1 TYR 60 -10.897 4.804 3.754 499 HE2 TYR 60 HE2 TYR 60 -11.214 7.554 0.431 500 HH TYR 60 HH TYR 60 -9.937 6.962 3.734 501 H SER 61 HN SER 61 -15.357 3.996 -2.204 502 HA SER 61 HA SER 61 -16.485 1.327 -2.960 503 1HB SER 61 2HB SER 61 -17.981 3.279 -3.329 504 2HB SER 61 3HB SER 61 -16.702 4.078 -4.263 505 HG SER 61 HG SER 61 -18.158 3.137 -5.613 506 H GLU 62 HN GLU 62 -15.765 0.643 -5.179 507 HA GLU 62 HA GLU 62 -12.978 0.390 -5.090 508 1HB GLU 62 2HB GLU 62 -14.694 -0.073 -7.575 509 2HB GLU 62 3HB GLU 62 -13.063 -0.686 -7.279 510 1HG GLU 62 2HG GLU 62 -14.074 -1.905 -5.223 511 2HG GLU 62 3HG GLU 62 -15.646 -1.524 -5.927 512 H GLU 63 HN GLU 63 -15.030 2.667 -6.805 513 HA GLU 63 HA GLU 63 -13.012 3.584 -8.609 514 1HB GLU 63 2HB GLU 63 -15.752 4.517 -7.911 515 2HB GLU 63 3HB GLU 63 -14.766 5.277 -9.160 516 1HG GLU 63 2HG GLU 63 -14.611 3.050 -10.330 517 2HG GLU 63 3HG GLU 63 -15.755 2.390 -9.149 518 H ASP 64 HN ASP 64 -13.485 4.100 -5.295 519 HA ASP 64 HA ASP 64 -12.614 6.930 -5.282 520 1HB ASP 64 2HB ASP 64 -13.083 4.961 -3.014 521 2HB ASP 64 3HB ASP 64 -12.650 6.653 -2.859 522 H SER 65 HN SER 65 -11.162 3.780 -5.555 523 HA SER 65 HA SER 65 -8.740 4.660 -4.103 524 1HB SER 65 2HB SER 65 -9.592 2.269 -3.974 525 2HB SER 65 3HB SER 65 -9.170 2.049 -5.654 526 HG SER 65 HG SER 65 -7.612 2.140 -3.407 527 H LYS 66 HN LYS 66 -7.082 5.667 -5.343 528 HA LYS 66 HA LYS 66 -7.337 5.547 -8.335 529 1HB LYS 66 2HB LYS 66 -5.877 7.376 -8.354 530 2HB LYS 66 3HB LYS 66 -6.890 7.625 -6.935 531 1HG LYS 66 2HG LYS 66 -4.832 6.374 -5.705 532 2HG LYS 66 3HG LYS 66 -3.951 7.040 -7.099 533 1HD LYS 66 2HD LYS 66 -5.043 9.259 -6.531 534 2HD LYS 66 3HD LYS 66 -5.652 8.471 -5.070 535 1HE LYS 66 2HE LYS 66 -3.702 8.885 -3.980 536 2HE LYS 66 3HE LYS 66 -2.836 7.946 -5.198 537 1HZ LYS 66 1HZ LYS 66 -1.990 10.108 -5.061 538 2HZ LYS 66 2HZ LYS 66 -2.717 10.003 -6.514 539 3HZ LYS 66 3HZ LYS 66 -3.462 10.820 -5.251 540 H VAL 67 HN VAL 67 -6.710 3.023 -6.897 541 HA VAL 67 HA VAL 67 -4.197 2.325 -8.196 542 HB VAL 67 HB VAL 67 -2.928 1.837 -6.366 543 1HG1 VAL 67 1HG1 VAL 67 -2.784 3.645 -4.768 544 2HG1 VAL 67 2HG1 VAL 67 -3.016 4.226 -6.409 545 3HG1 VAL 67 3HG1 VAL 67 -4.367 4.257 -5.268 546 1HG2 VAL 67 1HG2 VAL 67 -4.495 0.414 -5.095 547 2HG2 VAL 67 2HG2 VAL 67 -3.567 1.497 -4.053 548 3HG2 VAL 67 3HG2 VAL 67 -5.248 1.867 -4.440 549 HA PRO 68 HA PRO 68 -6.442 -1.390 -8.586 550 1HB PRO 68 2HB PRO 68 -4.569 -3.410 -8.516 551 2HB PRO 68 3HB PRO 68 -4.728 -2.239 -9.855 552 1HG PRO 68 2HG PRO 68 -2.803 -2.174 -7.531 553 2HG PRO 68 3HG PRO 68 -2.454 -1.800 -9.243 554 1HD PRO 68 2HD PRO 68 -2.917 0.001 -7.237 555 2HD PRO 68 3HD PRO 68 -3.241 0.391 -8.945 556 H LEU 69 HN LEU 69 -7.720 -2.499 -7.373 557 HA LEU 69 HA LEU 69 -7.113 -2.890 -4.481 558 1HB LEU 69 2HB LEU 69 -9.744 -2.814 -6.039 559 2HB LEU 69 3HB LEU 69 -9.594 -3.048 -4.306 560 HG LEU 69 HG LEU 69 -8.810 -0.504 -5.752 561 1HD1 LEU 69 1HD1 LEU 69 -10.820 0.391 -4.674 562 2HD1 LEU 69 2HD1 LEU 69 -11.212 -0.939 -5.766 563 3HD1 LEU 69 3HD1 LEU 69 -11.211 -1.213 -4.006 564 1HD2 LEU 69 1HD2 LEU 69 -8.698 -1.439 -2.856 565 2HD2 LEU 69 2HD2 LEU 69 -7.472 -0.593 -3.854 566 3HD2 LEU 69 3HD2 LEU 69 -8.890 0.267 -3.253 567 H ILE 70 HN ILE 70 -6.189 -4.720 -4.182 568 HA ILE 70 HA ILE 70 -6.939 -7.022 -5.893 569 HB ILE 70 HB ILE 70 -4.832 -7.908 -5.396 570 1HG1 ILE 70 2HG1 ILE 70 -4.276 -5.636 -3.459 571 2HG1 ILE 70 3HG1 ILE 70 -4.632 -7.309 -3.011 572 1HG2 ILE 70 1HG2 ILE 70 -4.380 -4.974 -5.985 573 2HG2 ILE 70 2HG2 ILE 70 -3.416 -6.377 -6.531 574 3HG2 ILE 70 3HG2 ILE 70 -5.046 -6.132 -7.142 575 1HD1 ILE 70 1HD1 ILE 70 -2.251 -6.901 -2.876 576 2HD1 ILE 70 2HD1 ILE 70 -2.603 -8.069 -4.167 577 3HD1 ILE 70 3HD1 ILE 70 -2.184 -6.415 -4.565 578 H THR 71 HN THR 71 -6.743 -9.143 -4.687 579 HA THR 71 HA THR 71 -8.236 -8.882 -2.116 580 HB THR 71 HB THR 71 -8.282 -11.479 -2.442 581 HG1 THR 71 HG1 THR 71 -7.116 -10.882 -4.738 582 1HG2 THR 71 1HG2 THR 71 -10.424 -11.115 -3.741 583 2HG2 THR 71 2HG2 THR 71 -10.224 -9.938 -2.440 584 3HG2 THR 71 3HG2 THR 71 -9.891 -9.477 -4.107 585 H TYR 72 HN TYR 72 -7.552 -10.100 -0.283 586 HA TYR 72 HA TYR 72 -4.997 -9.683 0.601 587 1HB TYR 72 2HB TYR 72 -7.122 -11.705 1.309 588 2HB TYR 72 3HB TYR 72 -5.564 -11.821 2.069 589 HD1 TYR 72 HD1 TYR 72 -8.731 -10.579 2.627 590 HD2 TYR 72 HD2 TYR 72 -4.609 -9.349 2.899 591 HE1 TYR 72 HE1 TYR 72 -9.284 -9.180 4.600 592 HE2 TYR 72 HE2 TYR 72 -5.137 -7.978 4.871 593 HH TYR 72 HH TYR 72 -8.371 -8.023 6.410 594 H SER 73 HN SER 73 -5.987 -12.643 -1.233 595 HA SER 73 HA SER 73 -3.535 -14.019 -0.726 596 1HB SER 73 2HB SER 73 -4.486 -15.405 -2.591 597 2HB SER 73 3HB SER 73 -5.500 -15.166 -1.164 598 HG SER 73 HG SER 73 -5.972 -14.298 -3.745 599 H GLU 74 HN GLU 74 -4.566 -11.739 -3.106 600 HA GLU 74 HA GLU 74 -2.443 -12.137 -5.067 601 1HB GLU 74 2HB GLU 74 -4.266 -9.817 -4.584 602 2HB GLU 74 3HB GLU 74 -3.062 -9.883 -5.883 603 1HG GLU 74 2HG GLU 74 -4.112 -11.963 -6.760 604 2HG GLU 74 3HG GLU 74 -5.335 -11.888 -5.463 605 H PHE 75 HN PHE 75 -2.873 -10.068 -2.192 606 HA PHE 75 HA PHE 75 -0.371 -8.705 -2.358 607 1HB PHE 75 2HB PHE 75 -1.979 -7.897 -0.819 608 2HB PHE 75 3HB PHE 75 -2.229 -9.445 -0.103 609 HD1 PHE 75 HD1 PHE 75 1.124 -7.779 -0.604 610 HD2 PHE 75 HD2 PHE 75 -1.922 -9.102 2.153 611 HE1 PHE 75 HE1 PHE 75 2.452 -6.899 1.279 612 HE2 PHE 75 HE2 PHE 75 -0.568 -8.177 4.041 613 HZ PHE 75 HZ PHE 75 1.551 -7.025 3.598 614 H ILE 76 HN ILE 76 -1.257 -11.870 -0.910 615 HA ILE 76 HA ILE 76 1.292 -12.373 0.204 616 HB ILE 76 HB ILE 76 -0.787 -14.372 -0.802 617 1HG1 ILE 76 2HG1 ILE 76 -1.885 -13.087 0.804 618 2HG1 ILE 76 3HG1 ILE 76 -1.399 -14.534 1.631 619 1HG2 ILE 76 1HG2 ILE 76 1.506 -14.804 1.133 620 2HG2 ILE 76 2HG2 ILE 76 0.209 -15.968 0.799 621 3HG2 ILE 76 3HG2 ILE 76 1.338 -15.514 -0.478 622 1HD1 ILE 76 1HD1 ILE 76 -1.059 -12.667 3.114 623 2HD1 ILE 76 2HD1 ILE 76 0.560 -13.191 2.607 624 3HD1 ILE 76 3HD1 ILE 76 -0.180 -11.743 1.887 625 H ASP 77 HN ASP 77 0.049 -13.029 -3.074 626 HA ASP 77 HA ASP 77 2.241 -14.542 -4.075 627 1HB ASP 77 2HB ASP 77 0.496 -14.633 -5.402 628 2HB ASP 77 3HB ASP 77 -0.047 -12.998 -5.174 629 H LEU 78 HN LEU 78 1.891 -11.053 -3.600 630 HA LEU 78 HA LEU 78 4.202 -10.457 -5.176 631 1HB LEU 78 2HB LEU 78 2.832 -8.896 -2.932 632 2HB LEU 78 3HB LEU 78 4.086 -8.214 -3.918 633 HG LEU 78 HG LEU 78 1.418 -9.171 -5.029 634 1HD1 LEU 78 1HD1 LEU 78 2.438 -6.377 -4.336 635 2HD1 LEU 78 2HD1 LEU 78 0.903 -6.764 -5.150 636 3HD1 LEU 78 3HD1 LEU 78 1.166 -7.299 -3.496 637 1HD2 LEU 78 1HD2 LEU 78 3.182 -9.200 -6.736 638 2HD2 LEU 78 2HD2 LEU 78 2.084 -7.849 -7.024 639 3HD2 LEU 78 3HD2 LEU 78 3.684 -7.557 -6.289 640 H LEU 79 HN LEU 79 3.896 -11.885 -2.078 641 HA LEU 79 HA LEU 79 6.421 -10.812 -0.953 642 1HB LEU 79 2HB LEU 79 4.360 -12.626 0.337 643 2HB LEU 79 3HB LEU 79 5.779 -11.906 1.083 644 HG LEU 79 HG LEU 79 3.226 -10.565 0.151 645 1HD1 LEU 79 1HD1 LEU 79 4.673 -10.591 2.823 646 2HD1 LEU 79 2HD1 LEU 79 3.078 -9.863 2.471 647 3HD1 LEU 79 3HD1 LEU 79 3.284 -11.620 2.373 648 1HD2 LEU 79 1HD2 LEU 79 4.309 -8.392 0.955 649 2HD2 LEU 79 2HD2 LEU 79 5.874 -9.235 0.794 650 3HD2 LEU 79 3HD2 LEU 79 4.826 -8.998 -0.616 651 H GLU 80 HN GLU 80 5.129 -14.040 -0.567 652 HA GLU 80 HA GLU 80 6.338 -16.011 -0.350 653 1HB GLU 80 2HB GLU 80 6.060 -15.428 -3.314 654 2HB GLU 80 3HB GLU 80 6.295 -17.045 -2.616 655 1HG GLU 80 2HG GLU 80 3.969 -15.185 -2.121 656 2HG GLU 80 3HG GLU 80 3.895 -16.644 -3.095 657 H GLY 81 HN GLY 81 8.271 -14.765 0.559 658 1HA GLY 81 1HA GLY 81 10.614 -15.384 0.661 659 2HA GLY 81 2HA GLY 81 10.695 -15.386 -1.101 660 H GLU 82 HN GLU 82 8.969 -12.858 0.802 661 HA GLU 82 HA GLU 82 11.156 -11.059 0.700 662 1HB GLU 82 2HB GLU 82 9.292 -11.028 -1.530 663 2HB GLU 82 3HB GLU 82 9.033 -9.592 -0.576 664 1HG GLU 82 2HG GLU 82 11.709 -10.568 -1.658 665 2HG GLU 82 3HG GLU 82 10.702 -9.335 -2.405 666 H GLU 83 HN GLU 83 10.722 -9.341 2.138 667 HA GLU 83 HA GLU 83 8.220 -9.361 3.603 668 1HB GLU 83 2HB GLU 83 9.989 -11.498 4.186 669 2HB GLU 83 3HB GLU 83 10.319 -10.364 5.465 670 1HG GLU 83 2HG GLU 83 7.584 -10.314 5.523 671 2HG GLU 83 3HG GLU 83 7.852 -11.919 4.804 672 H LYS 84 HN LYS 84 9.706 -7.293 2.530 673 HA LYS 84 HA LYS 84 10.511 -5.727 4.984 674 1HB LYS 84 2HB LYS 84 11.862 -6.381 2.372 675 2HB LYS 84 3HB LYS 84 12.311 -4.885 3.200 676 1HG LYS 84 2HG LYS 84 13.543 -5.899 4.743 677 2HG LYS 84 3HG LYS 84 12.355 -7.160 5.049 678 1HD LYS 84 2HD LYS 84 14.000 -7.271 2.509 679 2HD LYS 84 3HD LYS 84 14.693 -7.794 4.055 680 1HE LYS 84 2HE LYS 84 13.093 -9.484 4.408 681 2HE LYS 84 3HE LYS 84 11.966 -8.788 3.228 682 1HZ LYS 84 1HZ LYS 84 13.205 -10.818 2.480 683 2HZ LYS 84 2HZ LYS 84 13.239 -9.527 1.472 684 3HZ LYS 84 3HZ LYS 84 14.564 -9.951 2.395 685 H PHE 85 HN PHE 85 7.946 -5.655 3.604 686 HA PHE 85 HA PHE 85 7.687 -2.810 3.337 687 1HB PHE 85 2HB PHE 85 6.957 -2.757 0.987 688 2HB PHE 85 3HB PHE 85 8.648 -3.119 1.141 689 HD1 PHE 85 HD1 PHE 85 9.519 -5.472 0.725 690 HD2 PHE 85 HD2 PHE 85 5.445 -4.336 -0.075 691 HE1 PHE 85 HE1 PHE 85 9.247 -7.460 -0.665 692 HE2 PHE 85 HE2 PHE 85 5.120 -6.440 -1.369 693 HZ PHE 85 HZ PHE 85 7.029 -8.026 -1.659 694 H ILE 86 HN ILE 86 6.420 -4.554 5.017 695 HA ILE 86 HA ILE 86 3.960 -5.503 3.654 696 HB ILE 86 HB ILE 86 4.961 -6.649 6.198 697 1HG1 ILE 86 2HG1 ILE 86 7.115 -6.522 4.905 698 2HG1 ILE 86 3HG1 ILE 86 6.596 -8.138 5.153 699 1HG2 ILE 86 1HG2 ILE 86 3.014 -7.714 5.229 700 2HG2 ILE 86 2HG2 ILE 86 3.793 -7.782 3.628 701 3HG2 ILE 86 3HG2 ILE 86 4.355 -8.811 4.967 702 1HD1 ILE 86 1HD1 ILE 86 5.918 -6.753 2.525 703 2HD1 ILE 86 2HD1 ILE 86 7.478 -7.528 2.767 704 3HD1 ILE 86 3HD1 ILE 86 6.020 -8.493 2.878 705 H GLY 87 HN GLY 87 2.363 -6.255 5.848 706 1HA GLY 87 1HA GLY 87 2.758 -5.292 8.237 707 2HA GLY 87 2HA GLY 87 1.784 -3.984 7.556 Start of MODEL 19 1 1H MET 1 HN MET 1 16.298 1.322 -9.442 2 HA MET 1 HA MET 1 14.353 0.443 -10.752 3 1HB MET 1 2HB MET 1 15.201 -2.132 -9.385 4 2HB MET 1 3HB MET 1 13.633 -1.860 -10.124 5 1HG MET 1 2HG MET 1 14.742 -1.276 -12.277 6 2HG MET 1 3HG MET 1 16.308 -1.676 -11.573 7 1HE MET 1 1HE MET 1 16.012 -4.260 -9.944 8 2HE MET 1 2HE MET 1 16.155 -5.546 -11.161 9 3HE MET 1 3HE MET 1 17.217 -4.130 -11.250 10 H ALA 2 HN ALA 2 12.385 0.717 -9.745 11 HA ALA 2 HA ALA 2 12.096 0.675 -6.857 12 1HB ALA 2 1HB ALA 2 13.150 2.916 -7.248 13 2HB ALA 2 2HB ALA 2 11.919 3.265 -8.479 14 3HB ALA 2 3HB ALA 2 11.451 3.084 -6.778 15 H LEU 3 HN LEU 3 9.836 1.355 -6.375 16 HA LEU 3 HA LEU 3 7.905 0.662 -8.538 17 1HB LEU 3 2HB LEU 3 8.054 -0.323 -5.664 18 2HB LEU 3 3HB LEU 3 6.658 -0.623 -6.699 19 HG LEU 3 HG LEU 3 9.303 -1.431 -7.886 20 1HD1 LEU 3 1HD1 LEU 3 9.761 -2.152 -5.693 21 2HD1 LEU 3 2HD1 LEU 3 8.145 -2.871 -5.511 22 3HD1 LEU 3 3HD1 LEU 3 9.326 -3.576 -6.652 23 1HD2 LEU 3 1HD2 LEU 3 8.120 -3.215 -8.828 24 2HD2 LEU 3 2HD2 LEU 3 6.789 -3.058 -7.675 25 3HD2 LEU 3 3HD2 LEU 3 7.015 -1.827 -8.935 26 H VAL 4 HN VAL 4 7.963 2.934 -8.828 27 HA VAL 4 HA VAL 4 6.412 4.468 -6.789 28 HB VAL 4 HB VAL 4 7.852 5.405 -9.300 29 1HG1 VAL 4 1HG1 VAL 4 6.905 7.473 -9.068 30 2HG1 VAL 4 2HG1 VAL 4 5.573 6.586 -8.309 31 3HG1 VAL 4 3HG1 VAL 4 6.813 7.385 -7.314 32 1HG2 VAL 4 1HG2 VAL 4 8.435 5.786 -6.320 33 2HG2 VAL 4 2HG2 VAL 4 9.448 4.945 -7.511 34 3HG2 VAL 4 3HG2 VAL 4 9.231 6.697 -7.635 35 H LEU 5 HN LEU 5 5.086 2.494 -7.365 36 HA LEU 5 HA LEU 5 2.796 3.328 -8.596 37 1HB LEU 5 2HB LEU 5 2.499 1.440 -10.216 38 2HB LEU 5 3HB LEU 5 3.583 2.694 -10.764 39 HG LEU 5 HG LEU 5 4.920 0.420 -9.329 40 1HD1 LEU 5 1HD1 LEU 5 3.153 -0.754 -10.653 41 2HD1 LEU 5 2HD1 LEU 5 3.743 0.026 -12.131 42 3HD1 LEU 5 3HD1 LEU 5 4.777 -1.112 -11.210 43 1HD2 LEU 5 1HD2 LEU 5 5.508 1.759 -11.997 44 2HD2 LEU 5 2HD2 LEU 5 6.267 2.173 -10.457 45 3HD2 LEU 5 3HD2 LEU 5 6.544 0.581 -11.169 46 H VAL 6 HN VAL 6 1.152 1.805 -8.161 47 HA VAL 6 HA VAL 6 1.537 -0.558 -6.810 48 HB VAL 6 HB VAL 6 2.246 0.395 -4.839 49 1HG1 VAL 6 1HG1 VAL 6 1.277 2.480 -3.795 50 2HG1 VAL 6 2HG1 VAL 6 2.189 2.726 -5.281 51 3HG1 VAL 6 3HG1 VAL 6 0.424 2.758 -5.344 52 1HG2 VAL 6 1HG2 VAL 6 0.733 0.030 -3.211 53 2HG2 VAL 6 2HG2 VAL 6 -0.574 0.820 -4.105 54 3HG2 VAL 6 3HG2 VAL 6 -0.067 -0.807 -4.548 55 H LYS 7 HN LYS 7 0.212 -0.356 -8.837 56 HA LYS 7 HA LYS 7 -2.662 0.132 -8.159 57 1HB LYS 7 2HB LYS 7 -3.188 1.357 -10.125 58 2HB LYS 7 3HB LYS 7 -2.086 2.238 -9.070 59 1HG LYS 7 2HG LYS 7 -0.260 1.960 -10.605 60 2HG LYS 7 3HG LYS 7 -1.139 0.783 -11.586 61 1HD LYS 7 2HD LYS 7 -2.763 2.369 -12.297 62 2HD LYS 7 3HD LYS 7 -2.231 3.559 -11.083 63 1HE LYS 7 2HE LYS 7 -0.068 3.779 -12.259 64 2HE LYS 7 3HE LYS 7 -0.613 2.657 -13.496 65 1HZ LYS 7 1HZ LYS 7 -0.824 5.019 -14.060 66 2HZ LYS 7 2HZ LYS 7 -2.242 4.194 -14.186 67 3HZ LYS 7 3HZ LYS 7 -2.001 5.205 -12.895 68 H TYR 8 HN TYR 8 -0.887 -2.277 -8.754 69 HA TYR 8 HA TYR 8 -2.706 -3.508 -10.780 70 1HB TYR 8 2HB TYR 8 0.083 -2.822 -11.179 71 2HB TYR 8 3HB TYR 8 -0.018 -4.551 -11.093 72 HD1 TYR 8 HD1 TYR 8 -1.004 -1.552 -12.973 73 HD2 TYR 8 HD2 TYR 8 -1.235 -5.848 -12.793 74 HE1 TYR 8 HE1 TYR 8 -1.620 -1.601 -15.341 75 HE2 TYR 8 HE2 TYR 8 -1.854 -5.917 -15.191 76 HH TYR 8 HH TYR 8 -2.098 -2.933 -17.178 77 H GLY 9 HN GLY 9 -2.591 -3.505 -7.874 78 1HA GLY 9 1HA GLY 9 -3.049 -4.962 -6.174 79 2HA GLY 9 2HA GLY 9 -3.036 -6.308 -7.305 80 H THR 10 HN THR 10 -1.020 -7.181 -7.807 81 HA THR 10 HA THR 10 0.496 -7.221 -5.309 82 HB THR 10 HB THR 10 1.546 -9.286 -6.432 83 HG1 THR 10 HG1 THR 10 0.916 -9.480 -8.381 84 1HG2 THR 10 1HG2 THR 10 -0.144 -9.281 -4.542 85 2HG2 THR 10 2HG2 THR 10 -1.451 -9.122 -5.714 86 3HG2 THR 10 3HG2 THR 10 -0.466 -10.604 -5.680 87 H ASP 11 HN ASP 11 1.129 -4.854 -6.694 88 HA ASP 11 HA ASP 11 3.560 -5.577 -8.140 89 1HB ASP 11 2HB ASP 11 2.972 -3.742 -9.652 90 2HB ASP 11 3HB ASP 11 1.577 -4.767 -9.395 91 H HIS 12 HN HIS 12 3.897 -4.971 -5.348 92 HA HIS 12 HA HIS 12 6.184 -3.440 -5.158 93 1HB HIS 12 2HB HIS 12 5.374 -1.319 -4.224 94 2HB HIS 12 3HB HIS 12 4.464 -1.526 -5.665 95 HD1 HIS 12 HD1 HIS 12 3.933 -1.665 -1.847 96 HD2 HIS 12 HD2 HIS 12 1.923 -2.621 -5.440 97 HE1 HIS 12 HE1 HIS 12 1.575 -2.155 -1.236 98 HA PRO 13 HA PRO 13 6.094 -5.596 -1.298 99 1HB PRO 13 2HB PRO 13 7.490 -4.051 0.481 100 2HB PRO 13 3HB PRO 13 8.261 -4.492 -1.082 101 1HG PRO 13 2HG PRO 13 6.951 -1.903 -0.325 102 2HG PRO 13 3HG PRO 13 8.515 -2.176 -1.145 103 1HD PRO 13 2HD PRO 13 6.085 -1.664 -2.366 104 2HD PRO 13 3HD PRO 13 7.433 -2.492 -3.203 105 H VAL 14 HN VAL 14 5.422 -5.701 1.104 106 HA VAL 14 HA VAL 14 4.199 -4.080 2.670 107 HB VAL 14 HB VAL 14 2.395 -4.471 0.362 108 1HG1 VAL 14 1HG1 VAL 14 1.208 -6.093 1.569 109 2HG1 VAL 14 2HG1 VAL 14 1.240 -5.146 3.057 110 3HG1 VAL 14 3HG1 VAL 14 0.291 -4.576 1.681 111 1HG2 VAL 14 1HG2 VAL 14 3.229 -2.335 1.886 112 2HG2 VAL 14 2HG2 VAL 14 1.817 -2.339 0.881 113 3HG2 VAL 14 3HG2 VAL 14 1.643 -2.665 2.615 114 H GLU 15 HN GLU 15 3.917 -7.197 1.094 115 HA GLU 15 HA GLU 15 4.167 -8.605 3.766 116 1HB GLU 15 2HB GLU 15 2.176 -9.594 3.552 117 2HB GLU 15 3HB GLU 15 1.810 -7.975 3.184 118 1HG GLU 15 2HG GLU 15 1.070 -8.440 1.152 119 2HG GLU 15 3HG GLU 15 2.458 -9.474 0.745 120 H LYS 16 HN LYS 16 4.787 -8.642 0.342 121 HA LYS 16 HA LYS 16 6.579 -10.931 0.942 122 1HB LYS 16 2HB LYS 16 4.337 -11.372 -0.124 123 2HB LYS 16 3HB LYS 16 4.964 -10.472 -1.540 124 1HG LYS 16 2HG LYS 16 5.633 -12.715 -2.079 125 2HG LYS 16 3HG LYS 16 7.071 -12.124 -1.300 126 1HD LYS 16 2HD LYS 16 6.307 -13.159 0.890 127 2HD LYS 16 3HD LYS 16 4.891 -13.783 0.038 128 1HE LYS 16 2HE LYS 16 5.994 -15.583 -0.514 129 2HE LYS 16 3HE LYS 16 7.059 -14.625 -1.545 130 1HZ LYS 16 1HZ LYS 16 7.467 -15.548 1.228 131 2HZ LYS 16 2HZ LYS 16 8.341 -15.927 -0.083 132 3HZ LYS 16 3HZ LYS 16 8.513 -14.441 0.526 133 H LEU 17 HN LEU 17 5.909 -8.560 -1.781 134 HA LEU 17 HA LEU 17 8.511 -8.566 -2.607 135 1HB LEU 17 2HB LEU 17 6.209 -6.904 -3.056 136 2HB LEU 17 3HB LEU 17 7.615 -5.845 -3.026 137 HG LEU 17 HG LEU 17 7.096 -6.513 -5.257 138 1HD1 LEU 17 1HD1 LEU 17 9.371 -6.039 -4.936 139 2HD1 LEU 17 2HD1 LEU 17 9.719 -7.547 -4.114 140 3HD1 LEU 17 3HD1 LEU 17 9.358 -7.551 -5.852 141 1HD2 LEU 17 1HD2 LEU 17 7.497 -9.398 -4.362 142 2HD2 LEU 17 2HD2 LEU 17 5.970 -8.624 -4.822 143 3HD2 LEU 17 3HD2 LEU 17 7.245 -8.831 -6.016 144 H LYS 18 HN LYS 18 7.261 -7.015 0.222 145 HA LYS 18 HA LYS 18 9.477 -5.358 0.857 146 1HB LYS 18 2HB LYS 18 8.389 -4.896 2.764 147 2HB LYS 18 3HB LYS 18 7.079 -5.826 2.138 148 1HG LYS 18 2HG LYS 18 9.202 -7.145 3.911 149 2HG LYS 18 3HG LYS 18 7.916 -6.210 4.591 150 1HD LYS 18 2HD LYS 18 6.225 -7.610 3.897 151 2HD LYS 18 3HD LYS 18 7.193 -8.297 2.579 152 1HE LYS 18 2HE LYS 18 6.838 -9.958 4.261 153 2HE LYS 18 3HE LYS 18 8.557 -9.562 4.088 154 1HZ LYS 18 1HZ LYS 18 6.777 -8.741 6.276 155 2HZ LYS 18 2HZ LYS 18 7.862 -9.934 6.349 156 3HZ LYS 18 3HZ LYS 18 8.425 -8.433 6.242 157 H ILE 19 HN ILE 19 9.025 -8.860 1.176 158 HA ILE 19 HA ILE 19 11.104 -9.217 3.083 159 HB ILE 19 HB ILE 19 8.930 -10.601 1.944 160 1HG1 ILE 19 2HG1 ILE 19 10.703 -12.271 3.671 161 2HG1 ILE 19 3HG1 ILE 19 9.997 -10.799 4.325 162 1HG2 ILE 19 1HG2 ILE 19 11.264 -12.381 1.292 163 2HG2 ILE 19 2HG2 ILE 19 9.526 -12.742 1.165 164 3HG2 ILE 19 3HG2 ILE 19 10.242 -11.539 0.102 165 1HD1 ILE 19 1HD1 ILE 19 7.715 -11.580 3.360 166 2HD1 ILE 19 2HD1 ILE 19 8.482 -13.131 3.060 167 3HD1 ILE 19 3HD1 ILE 19 8.364 -12.539 4.721 168 H ARG 20 HN ARG 20 10.918 -9.015 -0.384 169 HA ARG 20 HA ARG 20 13.560 -10.135 -0.913 170 1HB ARG 20 2HB ARG 20 11.629 -8.473 -2.606 171 2HB ARG 20 3HB ARG 20 13.153 -9.149 -3.174 172 1HG ARG 20 2HG ARG 20 12.094 -11.043 -3.702 173 2HG ARG 20 3HG ARG 20 11.778 -11.347 -1.982 174 1HD ARG 20 2HD ARG 20 9.617 -10.665 -2.080 175 2HD ARG 20 3HD ARG 20 9.933 -9.532 -3.393 176 HE ARG 20 HE ARG 20 9.020 -12.196 -3.699 177 1HH1 ARG 20 2HH2 ARG 20 11.234 -10.009 -5.405 178 2HH1 ARG 20 1HH2 ARG 20 10.293 -9.926 -6.840 179 1HH2 ARG 20 2HH1 ARG 20 7.716 -12.049 -5.583 180 2HH2 ARG 20 1HH1 ARG 20 8.344 -11.338 -7.029 181 H SER 21 HN SER 21 12.140 -6.804 -0.503 182 HA SER 21 HA SER 21 14.679 -5.987 0.572 183 1HB SER 21 2HB SER 21 14.939 -5.809 -1.978 184 2HB SER 21 3HB SER 21 13.712 -4.550 -1.925 185 HG SER 21 HG SER 21 15.522 -3.432 -1.752 186 H ALA 22 HN ALA 22 13.659 -5.300 2.435 187 HA ALA 22 HA ALA 22 12.707 -2.682 2.642 188 1HB ALA 22 1HB ALA 22 10.399 -3.053 3.478 189 2HB ALA 22 2HB ALA 22 10.486 -3.594 1.803 190 3HB ALA 22 3HB ALA 22 10.562 -4.788 3.142 191 H LYS 23 HN LYS 23 12.044 -2.273 5.022 192 HA LYS 23 HA LYS 23 12.452 -4.460 6.846 193 1HB LYS 23 2HB LYS 23 14.636 -2.672 6.245 194 2HB LYS 23 3HB LYS 23 13.939 -2.136 7.744 195 1HG LYS 23 2HG LYS 23 15.794 -3.450 8.233 196 2HG LYS 23 3HG LYS 23 14.354 -4.262 8.816 197 1HD LYS 23 2HD LYS 23 15.495 -4.993 6.095 198 2HD LYS 23 3HD LYS 23 16.248 -5.637 7.561 199 1HE LYS 23 2HE LYS 23 13.364 -5.704 7.722 200 2HE LYS 23 3HE LYS 23 13.898 -6.577 6.267 201 1HZ LYS 23 1HZ LYS 23 14.841 -7.135 9.014 202 2HZ LYS 23 2HZ LYS 23 13.703 -8.019 8.198 203 3HZ LYS 23 3HZ LYS 23 15.228 -7.984 7.631 204 H ALA 24 HN ALA 24 12.431 -3.257 9.195 205 HA ALA 24 HA ALA 24 9.729 -2.386 9.414 206 1HB ALA 24 1HB ALA 24 12.008 -1.816 11.357 207 2HB ALA 24 2HB ALA 24 10.273 -1.812 11.714 208 3HB ALA 24 3HB ALA 24 11.076 -3.348 11.328 209 H GLU 25 HN GLU 25 12.785 -0.737 8.846 210 HA GLU 25 HA GLU 25 11.553 1.893 9.079 211 1HB GLU 25 2HB GLU 25 13.777 2.772 8.416 212 2HB GLU 25 3HB GLU 25 13.596 2.112 10.062 213 1HG GLU 25 2HG GLU 25 14.607 0.056 9.459 214 2HG GLU 25 3HG GLU 25 14.582 0.447 7.746 215 H ASP 26 HN ASP 26 10.161 0.611 7.316 216 HA ASP 26 HA ASP 26 11.051 2.141 4.952 217 1HB ASP 26 2HB ASP 26 11.104 -0.573 4.936 218 2HB ASP 26 3HB ASP 26 9.471 -0.342 4.375 219 H LYS 27 HN LYS 27 9.024 2.374 3.315 220 HA LYS 27 HA LYS 27 6.633 3.061 4.903 221 1HB LYS 27 2HB LYS 27 8.192 4.995 3.139 222 2HB LYS 27 3HB LYS 27 6.728 5.339 4.000 223 1HG LYS 27 2HG LYS 27 8.101 6.231 5.568 224 2HG LYS 27 3HG LYS 27 8.319 4.602 6.127 225 1HD LYS 27 2HD LYS 27 10.361 4.427 4.597 226 2HD LYS 27 3HD LYS 27 10.039 6.088 4.112 227 1HE LYS 27 2HE LYS 27 10.081 6.322 6.855 228 2HE LYS 27 3HE LYS 27 11.303 5.068 6.588 229 1HZ LYS 27 1HZ LYS 27 12.367 6.586 5.026 230 2HZ LYS 27 2HZ LYS 27 11.180 7.707 5.263 231 3HZ LYS 27 3HZ LYS 27 12.179 7.347 6.506 232 H ILE 28 HN ILE 28 4.778 2.476 3.824 233 HA ILE 28 HA ILE 28 4.830 2.484 0.883 234 HB ILE 28 HB ILE 28 4.002 0.075 2.484 235 1HG1 ILE 28 2HG1 ILE 28 6.722 -0.037 1.082 236 2HG1 ILE 28 3HG1 ILE 28 6.593 0.385 2.786 237 1HG2 ILE 28 1HG2 ILE 28 4.458 0.780 -0.452 238 2HG2 ILE 28 2HG2 ILE 28 4.705 -0.874 0.003 239 3HG2 ILE 28 3HG2 ILE 28 3.127 -0.138 0.289 240 1HD1 ILE 28 1HD1 ILE 28 7.016 -1.948 2.595 241 2HD1 ILE 28 2HD1 ILE 28 5.412 -1.637 3.300 242 3HD1 ILE 28 3HD1 ILE 28 5.551 -2.167 1.620 243 H VAL 29 HN VAL 29 2.629 1.988 0.056 244 HA VAL 29 HA VAL 29 0.380 2.255 1.803 245 HB VAL 29 HB VAL 29 1.088 4.408 -0.203 246 1HG1 VAL 29 1HG1 VAL 29 -1.627 3.958 1.143 247 2HG1 VAL 29 2HG1 VAL 29 -1.155 5.458 0.333 248 3HG1 VAL 29 3HG1 VAL 29 -1.288 3.994 -0.609 249 1HG2 VAL 29 1HG2 VAL 29 1.973 5.088 1.844 250 2HG2 VAL 29 2HG2 VAL 29 0.352 5.798 1.973 251 3HG2 VAL 29 3HG2 VAL 29 0.705 4.290 2.780 252 H LEU 30 HN LEU 30 -1.675 1.856 0.318 253 HA LEU 30 HA LEU 30 -1.024 0.392 -2.171 254 1HB LEU 30 2HB LEU 30 -3.507 -0.468 -0.966 255 2HB LEU 30 3HB LEU 30 -2.198 -1.364 -1.741 256 HG LEU 30 HG LEU 30 -2.227 -0.612 1.180 257 1HD1 LEU 30 1HD1 LEU 30 -2.978 -3.184 -0.240 258 2HD1 LEU 30 2HD1 LEU 30 -2.712 -3.028 1.510 259 3HD1 LEU 30 3HD1 LEU 30 -4.040 -2.159 0.719 260 1HD2 LEU 30 1HD2 LEU 30 -0.515 -2.556 -0.404 261 2HD2 LEU 30 2HD2 LEU 30 0.041 -1.005 0.257 262 3HD2 LEU 30 3HD2 LEU 30 -0.466 -2.290 1.362 263 H ILE 31 HN ILE 31 -2.327 0.849 -4.010 264 HA ILE 31 HA ILE 31 -4.648 2.529 -3.513 265 HB ILE 31 HB ILE 31 -4.031 4.281 -4.773 266 1HG1 ILE 31 2HG1 ILE 31 -1.686 2.912 -6.046 267 2HG1 ILE 31 3HG1 ILE 31 -3.215 2.762 -6.729 268 1HG2 ILE 31 1HG2 ILE 31 -1.833 5.175 -4.174 269 2HG2 ILE 31 2HG2 ILE 31 -2.497 4.313 -2.798 270 3HG2 ILE 31 3HG2 ILE 31 -1.244 3.554 -3.781 271 1HD1 ILE 31 1HD1 ILE 31 -1.575 5.262 -6.484 272 2HD1 ILE 31 2HD1 ILE 31 -2.172 4.422 -7.927 273 3HD1 ILE 31 3HD1 ILE 31 -3.322 5.335 -6.853 274 H GLN 32 HN GLN 32 -5.951 2.708 -5.484 275 HA GLN 32 HA GLN 32 -7.090 2.017 -7.182 276 1HB GLN 32 2HB GLN 32 -4.372 1.286 -8.177 277 2HB GLN 32 3HB GLN 32 -5.784 1.158 -9.218 278 1HG GLN 32 2HG GLN 32 -4.956 3.713 -7.806 279 2HG GLN 32 3HG GLN 32 -4.435 3.252 -9.422 280 1HE2 GLN 32 1HE2 GLN 32 -7.028 4.445 -7.502 281 2HE2 GLN 32 2HE2 GLN 32 -8.312 3.785 -8.421 282 H ASN 33 HN ASN 33 -4.785 -0.509 -7.114 283 HA ASN 33 HA ASN 33 -6.742 -2.770 -6.984 284 1HB ASN 33 2HB ASN 33 -4.295 -2.772 -8.858 285 2HB ASN 33 3HB ASN 33 -5.299 -4.094 -8.449 286 1HD2 ASN 33 1HD2 ASN 33 -7.201 -1.244 -8.869 287 2HD2 ASN 33 2HD2 ASN 33 -7.761 -1.636 -10.503 288 H GLY 34 HN GLY 34 -3.549 -1.360 -6.406 289 1HA GLY 34 1HA GLY 34 -1.972 -3.232 -5.116 290 2HA GLY 34 2HA GLY 34 -2.163 -1.548 -4.728 291 H VAL 35 HN VAL 35 -4.928 -1.605 -4.024 292 HA VAL 35 HA VAL 35 -5.101 -2.180 -1.342 293 HB VAL 35 HB VAL 35 -7.614 -2.359 -1.951 294 1HG1 VAL 35 1HG1 VAL 35 -6.427 -0.314 -1.082 295 2HG1 VAL 35 2HG1 VAL 35 -6.009 0.124 -2.746 296 3HG1 VAL 35 3HG1 VAL 35 -7.697 0.100 -2.246 297 1HG2 VAL 35 1HG2 VAL 35 -8.331 -1.437 -4.016 298 2HG2 VAL 35 2HG2 VAL 35 -6.710 -1.244 -4.623 299 3HG2 VAL 35 3HG2 VAL 35 -7.375 -2.897 -4.380 300 H PHE 36 HN PHE 36 -5.191 -4.614 -3.932 301 HA PHE 36 HA PHE 36 -6.439 -6.775 -2.686 302 1HB PHE 36 2HB PHE 36 -4.232 -6.354 -4.710 303 2HB PHE 36 3HB PHE 36 -4.508 -7.959 -4.068 304 HD1 PHE 36 HD1 PHE 36 -7.505 -5.817 -4.642 305 HD2 PHE 36 HD2 PHE 36 -4.783 -8.690 -6.364 306 HE1 PHE 36 HE1 PHE 36 -9.305 -6.645 -6.130 307 HE2 PHE 36 HE2 PHE 36 -6.528 -9.390 -7.952 308 HZ PHE 36 HZ PHE 36 -8.809 -8.443 -7.794 309 H TRP 37 HN TRP 37 -3.251 -5.376 -2.127 310 HA TRP 37 HA TRP 37 -2.136 -7.653 -0.819 311 1HB TRP 37 2HB TRP 37 -1.394 -4.717 -0.549 312 2HB TRP 37 3HB TRP 37 -0.572 -6.068 0.256 313 HD1 TRP 37 HD1 TRP 37 -0.529 -4.027 -2.690 314 HE1 TRP 37 HE1 TRP 37 1.363 -4.721 -4.170 315 HE3 TRP 37 HE3 TRP 37 0.247 -8.725 -0.833 316 HZ2 TRP 37 HZ2 TRP 37 3.242 -7.027 -4.416 317 HZ3 TRP 37 HZ3 TRP 37 2.131 -10.094 -1.571 318 HH2 TRP 37 HH2 TRP 37 3.727 -9.235 -3.357 319 H ALA 38 HN ALA 38 -4.572 -5.394 0.305 320 HA ALA 38 HA ALA 38 -3.959 -5.812 3.167 321 1HB ALA 38 1HB ALA 38 -4.640 -3.538 2.468 322 2HB ALA 38 2HB ALA 38 -6.112 -4.221 1.744 323 3HB ALA 38 3HB ALA 38 -5.864 -4.256 3.499 324 H LEU 39 HN LEU 39 -4.531 -8.097 1.564 325 HA LEU 39 HA LEU 39 -6.323 -9.499 3.262 326 1HB LEU 39 2HB LEU 39 -8.114 -9.868 1.503 327 2HB LEU 39 3HB LEU 39 -8.043 -8.404 2.444 328 HG LEU 39 HG LEU 39 -6.827 -7.396 0.258 329 1HD1 LEU 39 1HD1 LEU 39 -6.766 -9.478 -1.019 330 2HD1 LEU 39 2HD1 LEU 39 -8.537 -9.588 -0.941 331 3HD1 LEU 39 3HD1 LEU 39 -7.740 -8.244 -1.798 332 1HD2 LEU 39 1HD2 LEU 39 -9.730 -7.774 0.779 333 2HD2 LEU 39 2HD2 LEU 39 -8.685 -6.465 1.327 334 3HD2 LEU 39 3HD2 LEU 39 -9.064 -6.607 -0.407 335 H GLU 40 HN GLU 40 -3.716 -9.732 2.307 336 HA GLU 40 HA GLU 40 -3.682 -12.355 0.921 337 1HB GLU 40 2HB GLU 40 -1.791 -10.012 1.049 338 2HB GLU 40 3HB GLU 40 -1.262 -11.614 0.520 339 1HG GLU 40 2HG GLU 40 -3.626 -10.324 -0.788 340 2HG GLU 40 3HG GLU 40 -2.017 -9.694 -1.117 341 H GLU 41 HN GLU 41 -0.972 -12.858 1.869 342 HA GLU 41 HA GLU 41 -1.752 -13.799 4.559 343 1HB GLU 41 2HB GLU 41 -0.905 -16.004 3.892 344 2HB GLU 41 3HB GLU 41 -2.226 -15.480 2.853 345 1HG GLU 41 2HG GLU 41 -0.747 -14.949 1.038 346 2HG GLU 41 3HG GLU 41 0.685 -15.023 2.068 347 H LEU 42 HN LEU 42 -0.090 -11.681 4.422 348 HA LEU 42 HA LEU 42 2.081 -12.559 6.233 349 1HB LEU 42 2HB LEU 42 2.225 -12.064 3.360 350 2HB LEU 42 3HB LEU 42 3.409 -11.046 4.267 351 HG LEU 42 HG LEU 42 3.488 -13.793 5.116 352 1HD1 LEU 42 1HD1 LEU 42 3.962 -13.185 2.171 353 2HD1 LEU 42 2HD1 LEU 42 4.598 -14.647 2.962 354 3HD1 LEU 42 3HD1 LEU 42 2.845 -14.377 2.838 355 1HD2 LEU 42 1HD2 LEU 42 5.283 -11.907 5.345 356 2HD2 LEU 42 2HD2 LEU 42 5.749 -13.601 5.145 357 3HD2 LEU 42 3HD2 LEU 42 5.816 -12.562 3.747 358 H GLU 43 HN GLU 43 3.601 -10.238 6.153 359 HA GLU 43 HA GLU 43 1.996 -7.914 5.958 360 1HB GLU 43 2HB GLU 43 2.127 -7.154 8.275 361 2HB GLU 43 3HB GLU 43 1.211 -8.659 8.177 362 1HG GLU 43 2HG GLU 43 3.150 -9.951 8.949 363 2HG GLU 43 3HG GLU 43 4.130 -8.508 8.955 364 H THR 44 HN THR 44 3.335 -6.028 6.722 365 HA THR 44 HA THR 44 6.282 -6.384 6.584 366 HB THR 44 HB THR 44 5.484 -5.204 4.650 367 HG1 THR 44 HG1 THR 44 6.918 -3.389 5.017 368 1HG2 THR 44 1HG2 THR 44 4.753 -3.050 4.823 369 2HG2 THR 44 2HG2 THR 44 3.677 -4.059 5.831 370 3HG2 THR 44 3HG2 THR 44 4.867 -3.013 6.609 371 HA PRO 45 HA PRO 45 6.163 -4.243 10.523 372 1HB PRO 45 2HB PRO 45 8.844 -3.836 10.821 373 2HB PRO 45 3HB PRO 45 8.043 -5.367 11.171 374 1HG PRO 45 2HG PRO 45 9.725 -4.611 8.820 375 2HG PRO 45 3HG PRO 45 9.543 -6.200 9.618 376 1HD PRO 45 2HD PRO 45 8.284 -5.304 7.282 377 2HD PRO 45 3HD PRO 45 7.774 -6.724 8.252 378 H ALA 46 HN ALA 46 6.808 -2.967 7.473 379 HA ALA 46 HA ALA 46 7.846 -0.345 8.139 380 1HB ALA 46 1HB ALA 46 6.358 -1.443 5.701 381 2HB ALA 46 2HB ALA 46 7.184 0.088 5.750 382 3HB ALA 46 3HB ALA 46 8.128 -1.409 5.923 383 H LYS 47 HN LYS 47 6.245 1.776 7.305 384 HA LYS 47 HA LYS 47 3.654 1.457 8.581 385 1HB LYS 47 2HB LYS 47 3.430 3.730 8.194 386 2HB LYS 47 3HB LYS 47 5.015 3.471 8.912 387 1HG LYS 47 2HG LYS 47 6.048 3.611 6.694 388 2HG LYS 47 3HG LYS 47 4.438 3.882 5.968 389 1HD LYS 47 2HD LYS 47 4.591 5.785 7.894 390 2HD LYS 47 3HD LYS 47 6.282 5.713 7.383 391 1HE LYS 47 2HE LYS 47 5.046 5.716 4.964 392 2HE LYS 47 3HE LYS 47 3.836 6.568 5.894 393 1HZ LYS 47 1HZ LYS 47 5.341 8.176 4.912 394 2HZ LYS 47 2HZ LYS 47 5.622 8.209 6.504 395 3HZ LYS 47 3HZ LYS 47 6.665 7.486 5.447 396 H VAL 48 HN VAL 48 1.748 0.899 7.309 397 HA VAL 48 HA VAL 48 1.927 0.900 4.459 398 HB VAL 48 HB VAL 48 0.626 -1.155 4.778 399 1HG1 VAL 48 1HG1 VAL 48 2.539 -2.665 4.818 400 2HG1 VAL 48 2HG1 VAL 48 3.042 -1.163 4.042 401 3HG1 VAL 48 3HG1 VAL 48 3.482 -1.462 5.730 402 1HG2 VAL 48 1HG2 VAL 48 0.049 -1.141 7.094 403 2HG2 VAL 48 2HG2 VAL 48 0.985 -2.610 6.752 404 3HG2 VAL 48 3HG2 VAL 48 1.758 -1.266 7.584 405 H TYR 49 HN TYR 49 -0.048 1.338 3.715 406 HA TYR 49 HA TYR 49 -2.363 1.724 5.439 407 1HB TYR 49 2HB TYR 49 -1.035 3.989 3.942 408 2HB TYR 49 3HB TYR 49 -2.559 4.106 4.783 409 HD1 TYR 49 HD1 TYR 49 -2.538 4.082 7.363 410 HD2 TYR 49 HD2 TYR 49 1.134 4.325 5.076 411 HE1 TYR 49 HE1 TYR 49 -1.361 4.947 9.340 412 HE2 TYR 49 HE2 TYR 49 2.258 5.268 7.032 413 HH TYR 49 HH TYR 49 0.980 5.162 10.202 414 H ALA 50 HN ALA 50 -4.259 2.292 3.831 415 HA ALA 50 HA ALA 50 -3.568 1.753 0.934 416 1HB ALA 50 1HB ALA 50 -5.766 0.579 2.590 417 2HB ALA 50 2HB ALA 50 -5.625 0.445 0.830 418 3HB ALA 50 3HB ALA 50 -4.408 -0.291 1.897 419 H ILE 51 HN ILE 51 -5.184 2.835 -0.484 420 HA ILE 51 HA ILE 51 -6.429 5.216 0.731 421 HB ILE 51 HB ILE 51 -6.113 4.183 -2.134 422 1HG1 ILE 51 2HG1 ILE 51 -4.112 5.096 -1.683 423 2HG1 ILE 51 3HG1 ILE 51 -4.993 6.424 -2.398 424 1HG2 ILE 51 1HG2 ILE 51 -7.165 6.220 -2.917 425 2HG2 ILE 51 2HG2 ILE 51 -8.310 5.418 -1.867 426 3HG2 ILE 51 3HG2 ILE 51 -7.409 6.819 -1.256 427 1HD1 ILE 51 1HD1 ILE 51 -4.124 6.042 0.474 428 2HD1 ILE 51 2HD1 ILE 51 -3.836 7.397 -0.639 429 3HD1 ILE 51 3HD1 ILE 51 -5.445 7.169 0.063 430 H LYS 52 HN LYS 52 -8.072 5.120 1.821 431 HA LYS 52 HA LYS 52 -9.964 3.106 1.910 432 1HB LYS 52 2HB LYS 52 -9.643 4.999 3.576 433 2HB LYS 52 3HB LYS 52 -10.447 6.083 2.440 434 1HG LYS 52 2HG LYS 52 -12.491 4.715 2.555 435 2HG LYS 52 3HG LYS 52 -11.690 3.549 3.609 436 1HD LYS 52 2HD LYS 52 -13.103 4.898 4.950 437 2HD LYS 52 3HD LYS 52 -11.443 5.378 5.336 438 1HE LYS 52 2HE LYS 52 -11.666 7.391 3.952 439 2HE LYS 52 3HE LYS 52 -13.230 6.832 3.324 440 1HZ LYS 52 1HZ LYS 52 -14.138 7.016 5.525 441 2HZ LYS 52 2HZ LYS 52 -12.700 7.515 6.149 442 3HZ LYS 52 3HZ LYS 52 -13.504 8.466 5.083 443 H ASP 53 HN ASP 53 -10.184 6.088 -0.079 444 HA ASP 53 HA ASP 53 -12.832 5.434 -0.939 445 1HB ASP 53 2HB ASP 53 -10.696 7.306 -2.008 446 2HB ASP 53 3HB ASP 53 -12.205 7.022 -2.892 447 H ASP 54 HN ASP 54 -9.618 4.733 -2.582 448 HA ASP 54 HA ASP 54 -10.975 3.506 -4.782 449 1HB ASP 54 2HB ASP 54 -8.986 3.334 -5.672 450 2HB ASP 54 3HB ASP 54 -8.380 4.278 -4.322 451 H PHE 55 HN PHE 55 -9.790 2.311 -1.640 452 HA PHE 55 HA PHE 55 -10.199 -0.487 -2.073 453 1HB PHE 55 2HB PHE 55 -9.097 0.702 -0.061 454 2HB PHE 55 3HB PHE 55 -10.710 0.972 0.571 455 HD1 PHE 55 HD1 PHE 55 -8.108 -1.456 -0.157 456 HD2 PHE 55 HD2 PHE 55 -12.021 -0.980 1.532 457 HE1 PHE 55 HE1 PHE 55 -8.056 -3.837 0.573 458 HE2 PHE 55 HE2 PHE 55 -11.845 -3.283 2.462 459 HZ PHE 55 HZ PHE 55 -9.954 -4.729 1.928 460 H LEU 56 HN LEU 56 -12.421 1.976 -0.846 461 HA LEU 56 HA LEU 56 -14.727 0.247 -0.608 462 1HB LEU 56 2HB LEU 56 -14.339 3.258 -0.861 463 2HB LEU 56 3HB LEU 56 -15.901 2.540 -0.546 464 HG LEU 56 HG LEU 56 -13.450 2.151 1.223 465 1HD1 LEU 56 1HD1 LEU 56 -14.659 3.712 2.779 466 2HD1 LEU 56 2HD1 LEU 56 -14.298 4.490 1.220 467 3HD1 LEU 56 3HD1 LEU 56 -15.947 3.916 1.578 468 1HD2 LEU 56 1HD2 LEU 56 -15.179 1.346 2.906 469 2HD2 LEU 56 2HD2 LEU 56 -16.390 1.361 1.619 470 3HD2 LEU 56 3HD2 LEU 56 -14.996 0.272 1.525 471 H ALA 57 HN ALA 57 -13.400 2.264 -3.220 472 HA ALA 57 HA ALA 57 -15.686 1.904 -4.928 473 1HB ALA 57 1HB ALA 57 -14.216 2.719 -6.719 474 2HB ALA 57 2HB ALA 57 -14.034 3.740 -5.275 475 3HB ALA 57 3HB ALA 57 -12.796 2.525 -5.678 476 H ARG 58 HN ARG 58 -13.153 -0.204 -3.841 477 HA ARG 58 HA ARG 58 -13.192 -1.835 -6.347 478 1HB ARG 58 2HB ARG 58 -11.316 -1.229 -4.172 479 2HB ARG 58 3HB ARG 58 -11.570 -2.906 -4.167 480 1HG ARG 58 2HG ARG 58 -11.010 -1.815 -6.870 481 2HG ARG 58 3HG ARG 58 -9.749 -1.538 -5.688 482 1HD ARG 58 2HD ARG 58 -9.227 -3.604 -6.719 483 2HD ARG 58 3HD ARG 58 -9.800 -4.001 -5.104 484 HE ARG 58 HE ARG 58 -11.891 -4.724 -5.973 485 1HH1 ARG 58 2HH2 ARG 58 -9.419 -4.374 -8.505 486 2HH1 ARG 58 1HH2 ARG 58 -10.497 -4.720 -9.806 487 1HH2 ARG 58 2HH1 ARG 58 -13.225 -5.453 -7.675 488 2HH2 ARG 58 1HH1 ARG 58 -12.771 -5.071 -9.330 489 H GLY 59 HN GLY 59 -15.610 -1.627 -4.668 490 1HA GLY 59 1HA GLY 59 -17.235 -2.954 -3.748 491 2HA GLY 59 2HA GLY 59 -16.509 -4.248 -4.700 492 H TYR 60 HN TYR 60 -15.363 -2.416 -1.743 493 HA TYR 60 HA TYR 60 -15.312 -4.920 -0.203 494 1HB TYR 60 2HB TYR 60 -13.034 -3.050 -0.831 495 2HB TYR 60 3HB TYR 60 -13.159 -3.718 0.757 496 HD1 TYR 60 HD1 TYR 60 -12.245 -4.409 -2.657 497 HD2 TYR 60 HD2 TYR 60 -12.837 -6.060 1.233 498 HE1 TYR 60 HE1 TYR 60 -11.291 -6.599 -3.450 499 HE2 TYR 60 HE2 TYR 60 -11.902 -8.247 0.484 500 HH TYR 60 HH TYR 60 -10.895 -9.384 -1.228 501 H SER 61 HN SER 61 -14.600 -4.012 2.217 502 HA SER 61 HA SER 61 -16.384 -1.756 2.891 503 1HB SER 61 2HB SER 61 -17.182 -4.323 3.219 504 2HB SER 61 3HB SER 61 -16.131 -4.193 4.643 505 HG SER 61 HG SER 61 -18.590 -3.506 4.376 506 H GLU 62 HN GLU 62 -15.762 -0.944 5.196 507 HA GLU 62 HA GLU 62 -12.979 -0.492 5.057 508 1HB GLU 62 2HB GLU 62 -14.923 0.171 7.290 509 2HB GLU 62 3HB GLU 62 -13.234 0.698 7.186 510 1HG GLU 62 2HG GLU 62 -13.909 1.644 4.838 511 2HG GLU 62 3HG GLU 62 -15.559 1.421 5.402 512 H GLU 63 HN GLU 63 -14.944 -2.520 7.263 513 HA GLU 63 HA GLU 63 -12.547 -3.386 8.619 514 1HB GLU 63 2HB GLU 63 -15.432 -3.658 9.083 515 2HB GLU 63 3HB GLU 63 -14.552 -5.143 9.454 516 1HG GLU 63 2HG GLU 63 -12.908 -3.673 10.779 517 2HG GLU 63 3HG GLU 63 -14.073 -2.366 10.590 518 H ASP 64 HN ASP 64 -13.385 -4.166 5.586 519 HA ASP 64 HA ASP 64 -12.564 -7.035 5.744 520 1HB ASP 64 2HB ASP 64 -13.328 -5.263 3.403 521 2HB ASP 64 3HB ASP 64 -12.501 -6.803 3.220 522 H SER 65 HN SER 65 -11.089 -3.878 5.641 523 HA SER 65 HA SER 65 -8.770 -4.821 4.102 524 1HB SER 65 2HB SER 65 -9.461 -2.483 3.851 525 2HB SER 65 3HB SER 65 -9.420 -2.216 5.580 526 HG SER 65 HG SER 65 -7.379 -1.786 5.434 527 H LYS 66 HN LYS 66 -7.053 -5.868 5.046 528 HA LYS 66 HA LYS 66 -6.731 -5.704 8.011 529 1HB LYS 66 2HB LYS 66 -5.169 -7.529 7.778 530 2HB LYS 66 3HB LYS 66 -6.665 -7.893 6.921 531 1HG LYS 66 2HG LYS 66 -5.678 -8.072 4.943 532 2HG LYS 66 3HG LYS 66 -4.620 -6.665 5.169 533 1HD LYS 66 2HD LYS 66 -3.108 -8.142 6.534 534 2HD LYS 66 3HD LYS 66 -4.157 -9.502 6.104 535 1HE LYS 66 2HE LYS 66 -3.674 -9.119 3.676 536 2HE LYS 66 3HE LYS 66 -2.676 -7.726 4.071 537 1HZ LYS 66 1HZ LYS 66 -1.336 -9.745 3.692 538 2HZ LYS 66 2HZ LYS 66 -1.170 -9.279 5.258 539 3HZ LYS 66 3HZ LYS 66 -2.159 -10.499 4.897 540 H VAL 67 HN VAL 67 -6.270 -3.246 6.567 541 HA VAL 67 HA VAL 67 -3.758 -2.593 7.777 542 HB VAL 67 HB VAL 67 -2.485 -1.858 6.002 543 1HG1 VAL 67 1HG1 VAL 67 -2.376 -4.168 5.774 544 2HG1 VAL 67 2HG1 VAL 67 -3.860 -4.245 4.799 545 3HG1 VAL 67 3HG1 VAL 67 -2.436 -3.474 4.127 546 1HG2 VAL 67 1HG2 VAL 67 -4.016 -0.371 4.885 547 2HG2 VAL 67 2HG2 VAL 67 -3.194 -1.374 3.711 548 3HG2 VAL 67 3HG2 VAL 67 -4.883 -1.758 4.169 549 HA PRO 68 HA PRO 68 -6.146 0.963 8.465 550 1HB PRO 68 2HB PRO 68 -4.355 3.053 8.624 551 2HB PRO 68 3HB PRO 68 -4.559 1.784 9.867 552 1HG PRO 68 2HG PRO 68 -2.449 1.996 7.765 553 2HG PRO 68 3HG PRO 68 -2.289 1.408 9.444 554 1HD PRO 68 2HD PRO 68 -2.491 -0.129 7.156 555 2HD PRO 68 3HD PRO 68 -2.935 -0.724 8.766 556 H LEU 69 HN LEU 69 -7.531 1.663 7.165 557 HA LEU 69 HA LEU 69 -6.980 2.632 4.450 558 1HB LEU 69 2HB LEU 69 -9.480 2.486 6.216 559 2HB LEU 69 3HB LEU 69 -9.504 2.957 4.517 560 HG LEU 69 HG LEU 69 -8.794 0.215 5.600 561 1HD1 LEU 69 1HD1 LEU 69 -11.174 0.807 5.731 562 2HD1 LEU 69 2HD1 LEU 69 -11.187 1.203 3.995 563 3HD1 LEU 69 3HD1 LEU 69 -10.870 -0.463 4.530 564 1HD2 LEU 69 1HD2 LEU 69 -7.511 0.472 3.671 565 2HD2 LEU 69 2HD2 LEU 69 -8.946 -0.377 3.108 566 3HD2 LEU 69 3HD2 LEU 69 -8.767 1.359 2.775 567 H ILE 70 HN ILE 70 -6.139 4.465 4.136 568 HA ILE 70 HA ILE 70 -6.857 6.764 5.887 569 HB ILE 70 HB ILE 70 -4.761 7.666 5.457 570 1HG1 ILE 70 2HG1 ILE 70 -4.100 5.487 3.437 571 2HG1 ILE 70 3HG1 ILE 70 -4.496 7.159 3.081 572 1HG2 ILE 70 1HG2 ILE 70 -3.353 6.141 6.621 573 2HG2 ILE 70 2HG2 ILE 70 -5.000 5.808 7.147 574 3HG2 ILE 70 3HG2 ILE 70 -4.240 4.722 6.000 575 1HD1 ILE 70 1HD1 ILE 70 -2.519 7.942 4.257 576 2HD1 ILE 70 2HD1 ILE 70 -2.077 6.307 4.714 577 3HD1 ILE 70 3HD1 ILE 70 -2.085 6.763 3.004 578 H THR 71 HN THR 71 -6.571 8.939 4.642 579 HA THR 71 HA THR 71 -8.318 8.758 2.308 580 HB THR 71 HB THR 71 -8.313 11.172 2.440 581 HG1 THR 71 HG1 THR 71 -7.112 12.046 4.337 582 1HG2 THR 71 1HG2 THR 71 -8.474 10.068 5.286 583 2HG2 THR 71 2HG2 THR 71 -9.334 11.459 4.611 584 3HG2 THR 71 3HG2 THR 71 -9.729 9.818 4.060 585 H TYR 72 HN TYR 72 -7.790 9.845 0.294 586 HA TYR 72 HA TYR 72 -5.306 9.185 -0.962 587 1HB TYR 72 2HB TYR 72 -7.703 10.962 -1.478 588 2HB TYR 72 3HB TYR 72 -6.250 11.526 -2.225 589 HD1 TYR 72 HD1 TYR 72 -8.807 8.839 -2.329 590 HD2 TYR 72 HD2 TYR 72 -5.212 10.435 -4.053 591 HE1 TYR 72 HE1 TYR 72 -9.206 7.523 -4.411 592 HE2 TYR 72 HE2 TYR 72 -5.388 8.818 -5.939 593 HH TYR 72 HH TYR 72 -6.940 7.805 -7.194 594 H SER 73 HN SER 73 -6.042 11.975 1.115 595 HA SER 73 HA SER 73 -3.636 13.368 0.232 596 1HB SER 73 2HB SER 73 -4.631 15.084 1.782 597 2HB SER 73 3HB SER 73 -5.612 14.586 0.390 598 HG SER 73 HG SER 73 -7.005 14.599 2.040 599 H GLU 74 HN GLU 74 -4.905 11.634 3.058 600 HA GLU 74 HA GLU 74 -2.700 12.041 4.838 601 1HB GLU 74 2HB GLU 74 -4.639 9.773 4.527 602 2HB GLU 74 3HB GLU 74 -3.222 9.630 5.580 603 1HG GLU 74 2HG GLU 74 -3.843 11.727 6.735 604 2HG GLU 74 3HG GLU 74 -5.360 11.770 5.843 605 H PHE 75 HN PHE 75 -3.072 9.778 2.076 606 HA PHE 75 HA PHE 75 -0.557 8.512 2.366 607 1HB PHE 75 2HB PHE 75 -2.189 7.765 0.698 608 2HB PHE 75 3HB PHE 75 -2.078 9.266 -0.131 609 HD1 PHE 75 HD1 PHE 75 1.102 7.629 1.087 610 HD2 PHE 75 HD2 PHE 75 -1.510 8.321 -2.237 611 HE1 PHE 75 HE1 PHE 75 2.718 6.557 -0.418 612 HE2 PHE 75 HE2 PHE 75 0.137 7.307 -3.780 613 HZ PHE 75 HZ PHE 75 2.232 6.375 -2.854 614 H ILE 76 HN ILE 76 -1.350 11.431 0.443 615 HA ILE 76 HA ILE 76 1.290 11.953 -0.393 616 HB ILE 76 HB ILE 76 -0.872 14.030 0.194 617 1HG1 ILE 76 2HG1 ILE 76 -1.882 12.394 -1.192 618 2HG1 ILE 76 3HG1 ILE 76 -1.554 13.801 -2.170 619 1HG2 ILE 76 1HG2 ILE 76 1.338 15.048 -0.245 620 2HG2 ILE 76 2HG2 ILE 76 1.447 14.150 -1.754 621 3HG2 ILE 76 3HG2 ILE 76 0.197 15.389 -1.545 622 1HD1 ILE 76 1HD1 ILE 76 -1.110 11.710 -3.383 623 2HD1 ILE 76 2HD1 ILE 76 0.369 12.652 -3.207 624 3HD1 ILE 76 3HD1 ILE 76 0.087 11.216 -2.187 625 H ASP 77 HN ASP 77 -0.282 12.924 2.657 626 HA ASP 77 HA ASP 77 1.759 14.774 3.533 627 1HB ASP 77 2HB ASP 77 -0.269 15.059 4.494 628 2HB ASP 77 3HB ASP 77 -0.643 13.344 4.657 629 H LEU 78 HN LEU 78 1.341 11.268 3.667 630 HA LEU 78 HA LEU 78 3.385 10.999 5.678 631 1HB LEU 78 2HB LEU 78 2.089 8.989 3.786 632 2HB LEU 78 3HB LEU 78 3.263 8.514 4.996 633 HG LEU 78 HG LEU 78 0.743 9.994 5.823 634 1HD1 LEU 78 1HD1 LEU 78 1.150 7.026 5.361 635 2HD1 LEU 78 2HD1 LEU 78 -0.200 7.712 6.304 636 3HD1 LEU 78 3HD1 LEU 78 -0.029 8.084 4.581 637 1HD2 LEU 78 1HD2 LEU 78 1.158 8.856 7.954 638 2HD2 LEU 78 2HD2 LEU 78 2.655 8.166 7.298 639 3HD2 LEU 78 3HD2 LEU 78 2.480 9.928 7.475 640 H LEU 79 HN LEU 79 3.516 11.819 2.416 641 HA LEU 79 HA LEU 79 6.151 10.562 1.779 642 1HB LEU 79 2HB LEU 79 4.364 12.215 0.014 643 2HB LEU 79 3HB LEU 79 5.851 11.390 -0.429 644 HG LEU 79 HG LEU 79 3.283 10.072 0.533 645 1HD1 LEU 79 1HD1 LEU 79 4.452 10.231 -2.254 646 2HD1 LEU 79 2HD1 LEU 79 2.952 9.395 -1.745 647 3HD1 LEU 79 3HD1 LEU 79 3.066 11.148 -1.649 648 1HD2 LEU 79 1HD2 LEU 79 4.470 7.968 -0.340 649 2HD2 LEU 79 2HD2 LEU 79 5.970 8.921 -0.232 650 3HD2 LEU 79 3HD2 LEU 79 5.011 8.628 1.210 651 H GLU 80 HN GLU 80 5.012 13.694 0.852 652 HA GLU 80 HA GLU 80 6.393 15.461 0.431 653 1HB GLU 80 2HB GLU 80 5.614 15.796 3.328 654 2HB GLU 80 3HB GLU 80 6.014 17.100 2.203 655 1HG GLU 80 2HG GLU 80 3.750 15.122 1.872 656 2HG GLU 80 3HG GLU 80 3.535 16.713 2.569 657 H GLY 81 HN GLY 81 8.380 14.470 -0.044 658 1HA GLY 81 1HA GLY 81 10.687 15.175 0.310 659 2HA GLY 81 2HA GLY 81 10.496 14.893 2.032 660 H GLU 82 HN GLU 82 8.872 12.236 0.614 661 HA GLU 82 HA GLU 82 11.330 10.723 0.229 662 1HB GLU 82 2HB GLU 82 10.585 8.975 1.607 663 2HB GLU 82 3HB GLU 82 10.909 10.454 2.491 664 1HG GLU 82 2HG GLU 82 8.639 10.819 2.968 665 2HG GLU 82 3HG GLU 82 8.103 9.455 1.984 666 H GLU 83 HN GLU 83 10.720 11.101 -1.983 667 HA GLU 83 HA GLU 83 8.330 9.792 -2.982 668 1HB GLU 83 2HB GLU 83 10.542 11.415 -4.149 669 2HB GLU 83 3HB GLU 83 9.324 10.689 -5.205 670 1HG GLU 83 2HG GLU 83 7.561 11.976 -4.206 671 2HG GLU 83 3HG GLU 83 8.651 12.609 -2.955 672 H LYS 84 HN LYS 84 9.676 7.713 -1.877 673 HA LYS 84 HA LYS 84 10.962 6.283 -4.234 674 1HB LYS 84 2HB LYS 84 11.817 6.803 -1.386 675 2HB LYS 84 3HB LYS 84 12.448 5.376 -2.198 676 1HG LYS 84 2HG LYS 84 13.841 6.506 -3.546 677 2HG LYS 84 3HG LYS 84 12.715 7.827 -3.844 678 1HD LYS 84 2HD LYS 84 14.208 7.496 -1.209 679 2HD LYS 84 3HD LYS 84 14.801 8.450 -2.584 680 1HE LYS 84 2HE LYS 84 12.738 9.790 -2.584 681 2HE LYS 84 3HE LYS 84 12.114 8.912 -1.192 682 1HZ LYS 84 1HZ LYS 84 14.707 10.341 -1.129 683 2HZ LYS 84 2HZ LYS 84 13.297 11.117 -0.824 684 3HZ LYS 84 3HZ LYS 84 13.824 9.883 0.165 685 H PHE 85 HN PHE 85 8.230 6.027 -3.273 686 HA PHE 85 HA PHE 85 7.803 3.293 -3.525 687 1HB PHE 85 2HB PHE 85 7.103 2.935 -0.977 688 2HB PHE 85 3HB PHE 85 8.703 2.607 -1.559 689 HD1 PHE 85 HD1 PHE 85 10.244 3.066 0.145 690 HD2 PHE 85 HD2 PHE 85 7.076 5.931 -0.534 691 HE1 PHE 85 HE1 PHE 85 11.360 4.726 1.620 692 HE2 PHE 85 HE2 PHE 85 8.114 7.459 1.039 693 HZ PHE 85 HZ PHE 85 10.318 6.904 2.070 694 H ILE 86 HN ILE 86 6.510 4.821 -4.843 695 HA ILE 86 HA ILE 86 4.203 5.984 -3.387 696 HB ILE 86 HB ILE 86 5.175 7.207 -5.912 697 1HG1 ILE 86 2HG1 ILE 86 7.263 7.189 -4.623 698 2HG1 ILE 86 3HG1 ILE 86 6.601 8.797 -4.698 699 1HG2 ILE 86 1HG2 ILE 86 3.103 8.085 -5.063 700 2HG2 ILE 86 2HG2 ILE 86 3.776 8.217 -3.426 701 3HG2 ILE 86 3HG2 ILE 86 4.341 9.284 -4.724 702 1HD1 ILE 86 1HD1 ILE 86 7.533 7.714 -2.402 703 2HD1 ILE 86 2HD1 ILE 86 6.279 8.949 -2.418 704 3HD1 ILE 86 3HD1 ILE 86 5.848 7.241 -2.256 705 H GLY 87 HN GLY 87 2.393 6.488 -5.446 706 1HA GLY 87 1HA GLY 87 2.935 5.233 -7.809 707 2HA GLY 87 2HA GLY 87 1.758 4.192 -6.974 Start of MODEL 20 1 1H MET 1 HN MET 1 12.956 -1.703 -11.226 2 HA MET 1 HA MET 1 14.203 -3.055 -8.920 3 1HB MET 1 2HB MET 1 15.113 -0.699 -10.579 4 2HB MET 1 3HB MET 1 15.665 -0.917 -8.906 5 1HG MET 1 2HG MET 1 16.478 -3.140 -9.369 6 2HG MET 1 3HG MET 1 15.867 -3.098 -11.016 7 1HE MET 1 1HE MET 1 18.882 -3.553 -9.440 8 2HE MET 1 2HE MET 1 18.419 -4.173 -11.036 9 3HE MET 1 3HE MET 1 19.888 -3.180 -10.855 10 H ALA 2 HN ALA 2 13.097 0.402 -9.514 11 HA ALA 2 HA ALA 2 12.141 0.431 -6.715 12 1HB ALA 2 1HB ALA 2 11.618 2.793 -7.225 13 2HB ALA 2 2HB ALA 2 13.307 2.435 -7.644 14 3HB ALA 2 3HB ALA 2 12.069 2.541 -8.924 15 H LEU 3 HN LEU 3 9.857 0.699 -6.240 16 HA LEU 3 HA LEU 3 8.013 -0.059 -8.469 17 1HB LEU 3 2HB LEU 3 7.760 -0.667 -5.525 18 2HB LEU 3 3HB LEU 3 6.518 -0.905 -6.739 19 HG LEU 3 HG LEU 3 7.229 -2.928 -6.859 20 1HD1 LEU 3 1HD1 LEU 3 8.725 -3.648 -8.496 21 2HD1 LEU 3 2HD1 LEU 3 8.056 -2.114 -9.076 22 3HD1 LEU 3 3HD1 LEU 3 9.692 -2.176 -8.396 23 1HD2 LEU 3 1HD2 LEU 3 8.707 -2.714 -4.880 24 2HD2 LEU 3 2HD2 LEU 3 9.311 -3.866 -6.065 25 3HD2 LEU 3 3HD2 LEU 3 10.036 -2.241 -5.943 26 H VAL 4 HN VAL 4 6.958 1.660 -9.131 27 HA VAL 4 HA VAL 4 5.987 3.628 -7.146 28 HB VAL 4 HB VAL 4 7.423 4.279 -9.740 29 1HG1 VAL 4 1HG1 VAL 4 5.386 5.820 -8.650 30 2HG1 VAL 4 2HG1 VAL 4 6.813 6.485 -7.840 31 3HG1 VAL 4 3HG1 VAL 4 6.749 6.452 -9.593 32 1HG2 VAL 4 1HG2 VAL 4 9.028 5.461 -8.190 33 2HG2 VAL 4 2HG2 VAL 4 8.214 4.670 -6.820 34 3HG2 VAL 4 3HG2 VAL 4 9.052 3.705 -8.049 35 H LEU 5 HN LEU 5 4.345 1.726 -7.828 36 HA LEU 5 HA LEU 5 2.169 2.990 -8.973 37 1HB LEU 5 2HB LEU 5 1.655 1.332 -10.796 38 2HB LEU 5 3HB LEU 5 2.792 2.590 -11.215 39 HG LEU 5 HG LEU 5 4.246 0.194 -10.313 40 1HD1 LEU 5 1HD1 LEU 5 2.261 -1.031 -11.126 41 2HD1 LEU 5 2HD1 LEU 5 2.341 -0.160 -12.671 42 3HD1 LEU 5 3HD1 LEU 5 3.639 -1.275 -12.189 43 1HD2 LEU 5 1HD2 LEU 5 5.326 0.433 -12.506 44 2HD2 LEU 5 2HD2 LEU 5 4.090 1.601 -13.010 45 3HD2 LEU 5 3HD2 LEU 5 5.213 2.002 -11.694 46 H VAL 6 HN VAL 6 0.622 2.152 -7.566 47 HA VAL 6 HA VAL 6 0.691 -0.771 -7.119 48 HB VAL 6 HB VAL 6 1.706 0.156 -5.250 49 1HG1 VAL 6 1HG1 VAL 6 1.136 2.458 -5.268 50 2HG1 VAL 6 2HG1 VAL 6 -0.600 2.097 -5.150 51 3HG1 VAL 6 3HG1 VAL 6 0.480 1.826 -3.772 52 1HG2 VAL 6 1HG2 VAL 6 0.066 -1.675 -4.847 53 2HG2 VAL 6 2HG2 VAL 6 0.354 -0.610 -3.460 54 3HG2 VAL 6 3HG2 VAL 6 -1.113 -0.425 -4.351 55 H LYS 7 HN LYS 7 -0.674 -0.014 -9.194 56 HA LYS 7 HA LYS 7 -3.508 0.064 -8.210 57 1HB LYS 7 2HB LYS 7 -4.220 1.285 -10.133 58 2HB LYS 7 3HB LYS 7 -3.040 2.212 -9.227 59 1HG LYS 7 2HG LYS 7 -1.620 2.353 -10.975 60 2HG LYS 7 3HG LYS 7 -1.828 0.667 -11.463 61 1HD LYS 7 2HD LYS 7 -3.855 1.136 -12.654 62 2HD LYS 7 3HD LYS 7 -3.990 2.756 -11.940 63 1HE LYS 7 2HE LYS 7 -2.019 3.513 -13.112 64 2HE LYS 7 3HE LYS 7 -1.734 1.911 -13.809 65 1HZ LYS 7 1HZ LYS 7 -2.941 3.690 -15.172 66 2HZ LYS 7 2HZ LYS 7 -3.482 2.161 -15.225 67 3HZ LYS 7 3HZ LYS 7 -4.297 3.249 -14.309 68 H TYR 8 HN TYR 8 -1.671 -2.254 -8.826 69 HA TYR 8 HA TYR 8 -3.507 -3.610 -10.767 70 1HB TYR 8 2HB TYR 8 -0.756 -2.778 -11.169 71 2HB TYR 8 3HB TYR 8 -0.724 -4.492 -11.009 72 HD1 TYR 8 HD1 TYR 8 -1.238 -5.839 -12.919 73 HD2 TYR 8 HD2 TYR 8 -2.326 -1.669 -12.850 74 HE1 TYR 8 HE1 TYR 8 -1.610 -5.899 -15.361 75 HE2 TYR 8 HE2 TYR 8 -2.744 -1.730 -15.265 76 HH TYR 8 HH TYR 8 -2.218 -4.690 -17.232 77 H GLY 9 HN GLY 9 -3.490 -3.601 -7.891 78 1HA GLY 9 1HA GLY 9 -3.444 -4.980 -6.036 79 2HA GLY 9 2HA GLY 9 -3.441 -6.352 -7.103 80 H THR 10 HN THR 10 -1.523 -7.119 -7.790 81 HA THR 10 HA THR 10 0.321 -6.924 -5.477 82 HB THR 10 HB THR 10 0.941 -9.345 -6.356 83 HG1 THR 10 HG1 THR 10 -1.801 -9.378 -6.874 84 1HG2 THR 10 1HG2 THR 10 -1.600 -8.596 -4.849 85 2HG2 THR 10 2HG2 THR 10 -0.848 -10.201 -4.833 86 3HG2 THR 10 3HG2 THR 10 0.001 -8.824 -4.128 87 H ASP 11 HN ASP 11 1.376 -4.981 -6.772 88 HA ASP 11 HA ASP 11 3.852 -6.223 -7.894 89 1HB ASP 11 2HB ASP 11 2.210 -5.623 -9.713 90 2HB ASP 11 3HB ASP 11 2.391 -3.932 -9.249 91 H HIS 12 HN HIS 12 3.705 -5.175 -5.296 92 HA HIS 12 HA HIS 12 5.987 -3.521 -5.239 93 1HB HIS 12 2HB HIS 12 5.139 -1.421 -4.615 94 2HB HIS 12 3HB HIS 12 3.910 -1.875 -5.757 95 HD1 HIS 12 HD1 HIS 12 2.450 -3.939 -3.461 96 HD2 HIS 12 HD2 HIS 12 3.654 0.081 -3.046 97 HE1 HIS 12 HE1 HIS 12 1.212 -3.031 -1.499 98 HA PRO 13 HA PRO 13 6.184 -5.496 -1.355 99 1HB PRO 13 2HB PRO 13 7.349 -3.835 0.413 100 2HB PRO 13 3HB PRO 13 8.207 -4.356 -1.056 101 1HG PRO 13 2HG PRO 13 6.841 -1.718 -0.558 102 2HG PRO 13 3HG PRO 13 8.404 -2.034 -1.357 103 1HD PRO 13 2HD PRO 13 5.945 -1.663 -2.625 104 2HD PRO 13 3HD PRO 13 7.341 -2.479 -3.374 105 H VAL 14 HN VAL 14 5.258 -5.711 0.988 106 HA VAL 14 HA VAL 14 4.138 -4.096 2.564 107 HB VAL 14 HB VAL 14 2.185 -4.530 0.348 108 1HG1 VAL 14 1HG1 VAL 14 1.335 -4.657 3.256 109 2HG1 VAL 14 2HG1 VAL 14 0.245 -4.203 1.934 110 3HG1 VAL 14 3HG1 VAL 14 0.998 -5.784 1.913 111 1HG2 VAL 14 1HG2 VAL 14 3.286 -2.265 1.589 112 2HG2 VAL 14 2HG2 VAL 14 1.877 -2.271 0.573 113 3HG2 VAL 14 3HG2 VAL 14 1.678 -2.347 2.324 114 H GLU 15 HN GLU 15 3.160 -7.028 0.772 115 HA GLU 15 HA GLU 15 3.852 -8.745 3.152 116 1HB GLU 15 2HB GLU 15 1.087 -8.560 1.817 117 2HB GLU 15 3HB GLU 15 1.580 -9.863 2.867 118 1HG GLU 15 2HG GLU 15 2.139 -7.871 4.537 119 2HG GLU 15 3HG GLU 15 1.022 -7.008 3.568 120 H LYS 16 HN LYS 16 5.353 -8.501 1.001 121 HA LYS 16 HA LYS 16 6.165 -11.006 0.445 122 1HB LYS 16 2HB LYS 16 3.996 -11.289 -0.971 123 2HB LYS 16 3HB LYS 16 4.644 -10.084 -2.038 124 1HG LYS 16 2HG LYS 16 5.086 -12.132 -2.994 125 2HG LYS 16 3HG LYS 16 6.660 -11.646 -2.373 126 1HD LYS 16 2HD LYS 16 6.460 -13.160 -0.471 127 2HD LYS 16 3HD LYS 16 4.755 -13.466 -0.815 128 1HE LYS 16 2HE LYS 16 7.129 -14.384 -2.479 129 2HE LYS 16 3HE LYS 16 6.065 -15.369 -1.482 130 1HZ LYS 16 1HZ LYS 16 5.335 -13.952 -3.955 131 2HZ LYS 16 2HZ LYS 16 5.360 -15.568 -3.742 132 3HZ LYS 16 3HZ LYS 16 4.226 -14.650 -2.955 133 H LEU 17 HN LEU 17 5.804 -8.368 -2.014 134 HA LEU 17 HA LEU 17 8.468 -8.527 -2.679 135 1HB LEU 17 2HB LEU 17 6.281 -6.770 -3.231 136 2HB LEU 17 3HB LEU 17 7.699 -5.759 -3.132 137 HG LEU 17 HG LEU 17 7.627 -8.289 -4.811 138 1HD1 LEU 17 1HD1 LEU 17 7.258 -6.779 -6.733 139 2HD1 LEU 17 2HD1 LEU 17 5.925 -6.678 -5.591 140 3HD1 LEU 17 3HD1 LEU 17 7.159 -5.388 -5.646 141 1HD2 LEU 17 1HD2 LEU 17 9.473 -5.859 -4.864 142 2HD2 LEU 17 2HD2 LEU 17 9.886 -7.407 -4.111 143 3HD2 LEU 17 3HD2 LEU 17 9.615 -7.325 -5.850 144 H LYS 18 HN LYS 18 7.102 -6.985 0.099 145 HA LYS 18 HA LYS 18 9.322 -5.360 0.892 146 1HB LYS 18 2HB LYS 18 8.106 -4.825 2.655 147 2HB LYS 18 3HB LYS 18 6.812 -5.736 1.945 148 1HG LYS 18 2HG LYS 18 8.770 -6.888 3.962 149 2HG LYS 18 3HG LYS 18 7.248 -6.133 4.394 150 1HD LYS 18 2HD LYS 18 5.950 -7.803 3.527 151 2HD LYS 18 3HD LYS 18 7.093 -8.329 2.347 152 1HE LYS 18 2HE LYS 18 6.473 -9.818 4.308 153 2HE LYS 18 3HE LYS 18 8.188 -9.744 3.805 154 1HZ LYS 18 1HZ LYS 18 8.645 -8.301 5.689 155 2HZ LYS 18 2HZ LYS 18 7.030 -8.399 6.132 156 3HZ LYS 18 3HZ LYS 18 7.986 -9.695 6.194 157 H ILE 19 HN ILE 19 8.742 -8.893 1.169 158 HA ILE 19 HA ILE 19 10.764 -9.289 3.150 159 HB ILE 19 HB ILE 19 8.630 -10.729 2.140 160 1HG1 ILE 19 2HG1 ILE 19 10.781 -12.300 3.538 161 2HG1 ILE 19 3HG1 ILE 19 10.107 -10.888 4.359 162 1HG2 ILE 19 1HG2 ILE 19 9.824 -11.491 0.106 163 2HG2 ILE 19 2HG2 ILE 19 11.018 -12.313 1.133 164 3HG2 ILE 19 3HG2 ILE 19 9.323 -12.815 1.153 165 1HD1 ILE 19 1HD1 ILE 19 8.926 -13.050 4.864 166 2HD1 ILE 19 2HD1 ILE 19 7.885 -11.736 4.307 167 3HD1 ILE 19 3HD1 ILE 19 8.310 -13.022 3.194 168 H ARG 20 HN ARG 20 10.693 -8.918 -0.296 169 HA ARG 20 HA ARG 20 13.343 -10.106 -0.703 170 1HB ARG 20 2HB ARG 20 11.546 -8.447 -2.514 171 2HB ARG 20 3HB ARG 20 13.092 -9.134 -2.984 172 1HG ARG 20 2HG ARG 20 12.112 -11.054 -3.497 173 2HG ARG 20 3HG ARG 20 11.650 -11.302 -1.815 174 1HD ARG 20 2HD ARG 20 9.509 -10.433 -2.137 175 2HD ARG 20 3HD ARG 20 9.948 -9.654 -3.663 176 HE ARG 20 HE ARG 20 9.689 -12.612 -3.242 177 1HH1 ARG 20 2HH2 ARG 20 10.306 -10.026 -5.550 178 2HH1 ARG 20 1HH2 ARG 20 9.576 -10.809 -6.888 179 1HH2 ARG 20 2HH1 ARG 20 8.658 -13.725 -5.038 180 2HH2 ARG 20 1HH1 ARG 20 8.777 -13.014 -6.611 181 H SER 21 HN SER 21 12.319 -7.125 0.643 182 HA SER 21 HA SER 21 14.668 -6.036 1.335 183 1HB SER 21 2HB SER 21 13.972 -5.243 -1.489 184 2HB SER 21 3HB SER 21 14.778 -4.071 -0.414 185 HG SER 21 HG SER 21 15.684 -6.664 -1.065 186 H ALA 22 HN ALA 22 13.245 -5.553 3.027 187 HA ALA 22 HA ALA 22 12.453 -2.815 3.019 188 1HB ALA 22 1HB ALA 22 10.203 -3.157 4.099 189 2HB ALA 22 2HB ALA 22 10.182 -3.778 2.454 190 3HB ALA 22 3HB ALA 22 10.306 -4.894 3.833 191 H LYS 23 HN LYS 23 12.155 -2.143 5.270 192 HA LYS 23 HA LYS 23 12.897 -4.079 7.320 193 1HB LYS 23 2HB LYS 23 14.795 -2.133 6.414 194 2HB LYS 23 3HB LYS 23 14.114 -1.462 7.849 195 1HG LYS 23 2HG LYS 23 16.030 -2.730 8.519 196 2HG LYS 23 3HG LYS 23 14.596 -3.578 9.076 197 1HD LYS 23 2HD LYS 23 16.158 -5.209 8.184 198 2HD LYS 23 3HD LYS 23 14.801 -5.101 7.065 199 1HE LYS 23 2HE LYS 23 16.578 -5.115 5.602 200 2HE LYS 23 3HE LYS 23 16.244 -3.378 5.767 201 1HZ LYS 23 1HZ LYS 23 18.129 -3.269 7.336 202 2HZ LYS 23 2HZ LYS 23 18.419 -4.870 7.139 203 3HZ LYS 23 3HZ LYS 23 18.571 -3.877 5.875 204 H ALA 24 HN ALA 24 12.669 -2.456 9.475 205 HA ALA 24 HA ALA 24 9.795 -2.150 9.314 206 1HB ALA 24 1HB ALA 24 9.775 -1.616 11.632 207 2HB ALA 24 2HB ALA 24 11.048 -2.842 11.450 208 3HB ALA 24 3HB ALA 24 11.465 -1.109 11.636 209 H GLU 25 HN GLU 25 12.404 0.040 8.518 210 HA GLU 25 HA GLU 25 10.791 2.357 9.150 211 1HB GLU 25 2HB GLU 25 13.157 3.431 8.462 212 2HB GLU 25 3HB GLU 25 12.633 2.993 10.095 213 1HG GLU 25 2HG GLU 25 14.804 2.233 9.877 214 2HG GLU 25 3HG GLU 25 13.690 0.863 9.927 215 H ASP 26 HN ASP 26 10.076 0.701 6.981 216 HA ASP 26 HA ASP 26 10.864 2.452 4.762 217 1HB ASP 26 2HB ASP 26 10.803 -0.224 5.029 218 2HB ASP 26 3HB ASP 26 9.234 -0.003 4.238 219 H LYS 27 HN LYS 27 9.045 3.118 3.209 220 HA LYS 27 HA LYS 27 6.463 3.516 4.652 221 1HB LYS 27 2HB LYS 27 7.889 5.357 2.734 222 2HB LYS 27 3HB LYS 27 6.147 5.406 3.032 223 1HG LYS 27 2HG LYS 27 6.782 7.079 4.354 224 2HG LYS 27 3HG LYS 27 6.772 5.768 5.530 225 1HD LYS 27 2HD LYS 27 9.143 5.666 5.597 226 2HD LYS 27 3HD LYS 27 9.339 6.545 4.077 227 1HE LYS 27 2HE LYS 27 8.124 7.816 6.577 228 2HE LYS 27 3HE LYS 27 9.857 7.847 6.193 229 1HZ LYS 27 1HZ LYS 27 9.385 8.986 4.167 230 2HZ LYS 27 2HZ LYS 27 7.766 9.036 4.435 231 3HZ LYS 27 3HZ LYS 27 8.803 9.858 5.404 232 H ILE 28 HN ILE 28 4.671 2.628 3.518 233 HA ILE 28 HA ILE 28 4.842 2.454 0.641 234 HB ILE 28 HB ILE 28 3.808 0.036 2.041 235 1HG1 ILE 28 2HG1 ILE 28 6.795 0.032 1.301 236 2HG1 ILE 28 3HG1 ILE 28 6.259 0.284 2.970 237 1HG2 ILE 28 1HG2 ILE 28 3.579 0.468 -0.418 238 2HG2 ILE 28 2HG2 ILE 28 5.343 0.572 -0.581 239 3HG2 ILE 28 3HG2 ILE 28 4.553 -0.950 -0.163 240 1HD1 ILE 28 1HD1 ILE 28 6.856 -2.020 2.578 241 2HD1 ILE 28 2HD1 ILE 28 5.149 -1.827 3.026 242 3HD1 ILE 28 3HD1 ILE 28 5.590 -2.141 1.339 243 H VAL 29 HN VAL 29 2.628 2.001 -0.195 244 HA VAL 29 HA VAL 29 0.410 2.349 1.543 245 HB VAL 29 HB VAL 29 1.172 4.520 -0.413 246 1HG1 VAL 29 1HG1 VAL 29 -1.024 5.640 0.115 247 2HG1 VAL 29 2HG1 VAL 29 -1.212 4.190 -0.834 248 3HG1 VAL 29 3HG1 VAL 29 -1.559 4.152 0.915 249 1HG2 VAL 29 1HG2 VAL 29 0.771 4.356 2.570 250 2HG2 VAL 29 2HG2 VAL 29 2.079 5.122 1.651 251 3HG2 VAL 29 3HG2 VAL 29 0.475 5.881 1.769 252 H LEU 30 HN LEU 30 -1.670 1.946 0.219 253 HA LEU 30 HA LEU 30 -1.185 0.566 -2.374 254 1HB LEU 30 2HB LEU 30 -3.623 -0.110 -0.796 255 2HB LEU 30 3HB LEU 30 -2.642 -1.147 -1.787 256 HG LEU 30 HG LEU 30 -2.010 -0.390 1.079 257 1HD1 LEU 30 1HD1 LEU 30 -3.106 -2.961 -0.148 258 2HD1 LEU 30 2HD1 LEU 30 -2.675 -2.716 1.564 259 3HD1 LEU 30 3HD1 LEU 30 -4.025 -1.836 0.841 260 1HD2 LEU 30 1HD2 LEU 30 -0.758 -2.418 -0.803 261 2HD2 LEU 30 2HD2 LEU 30 0.021 -0.935 -0.218 262 3HD2 LEU 30 3HD2 LEU 30 -0.392 -2.221 0.932 263 H ILE 31 HN ILE 31 -2.577 1.019 -4.090 264 HA ILE 31 HA ILE 31 -4.915 2.728 -3.514 265 HB ILE 31 HB ILE 31 -4.465 4.327 -4.886 266 1HG1 ILE 31 2HG1 ILE 31 -2.592 2.603 -6.496 267 2HG1 ILE 31 3HG1 ILE 31 -4.183 2.949 -6.913 268 1HG2 ILE 31 1HG2 ILE 31 -2.651 4.344 -3.128 269 2HG2 ILE 31 2HG2 ILE 31 -1.538 3.855 -4.408 270 3HG2 ILE 31 3HG2 ILE 31 -2.425 5.369 -4.527 271 1HD1 ILE 31 1HD1 ILE 31 -3.893 5.230 -7.343 272 2HD1 ILE 31 2HD1 ILE 31 -2.225 5.197 -6.761 273 3HD1 ILE 31 3HD1 ILE 31 -2.621 4.288 -8.216 274 H GLN 32 HN GLN 32 -6.205 2.880 -5.618 275 HA GLN 32 HA GLN 32 -7.809 1.725 -6.685 276 1HB GLN 32 2HB GLN 32 -5.432 1.054 -8.328 277 2HB GLN 32 3HB GLN 32 -7.088 1.100 -8.902 278 1HG GLN 32 2HG GLN 32 -6.322 3.638 -7.556 279 2HG GLN 32 3HG GLN 32 -5.215 3.218 -8.810 280 1HE2 GLN 32 1HE2 GLN 32 -8.540 4.161 -8.014 281 2HE2 GLN 32 2HE2 GLN 32 -9.011 4.544 -9.656 282 H ASN 33 HN ASN 33 -5.898 -0.774 -8.074 283 HA ASN 33 HA ASN 33 -7.440 -2.867 -6.641 284 1HB ASN 33 2HB ASN 33 -5.391 -3.228 -8.900 285 2HB ASN 33 3HB ASN 33 -6.439 -4.394 -8.231 286 1HD2 ASN 33 1HD2 ASN 33 -6.446 -1.887 -10.658 287 2HD2 ASN 33 2HD2 ASN 33 -8.161 -1.979 -10.971 288 H GLY 34 HN GLY 34 -4.283 -1.382 -6.403 289 1HA GLY 34 1HA GLY 34 -2.639 -3.324 -5.173 290 2HA GLY 34 2HA GLY 34 -2.675 -1.608 -4.919 291 H VAL 35 HN VAL 35 -5.473 -1.464 -3.998 292 HA VAL 35 HA VAL 35 -5.315 -1.819 -1.269 293 HB VAL 35 HB VAL 35 -7.708 -1.848 -1.217 294 1HG1 VAL 35 1HG1 VAL 35 -6.812 0.015 -3.422 295 2HG1 VAL 35 2HG1 VAL 35 -8.176 0.230 -2.313 296 3HG1 VAL 35 3HG1 VAL 35 -6.514 0.262 -1.705 297 1HG2 VAL 35 1HG2 VAL 35 -9.030 -1.840 -3.403 298 2HG2 VAL 35 2HG2 VAL 35 -7.614 -2.623 -4.129 299 3HG2 VAL 35 3HG2 VAL 35 -8.464 -3.402 -2.789 300 H PHE 36 HN PHE 36 -5.754 -4.472 -3.635 301 HA PHE 36 HA PHE 36 -6.707 -6.536 -2.078 302 1HB PHE 36 2HB PHE 36 -4.514 -6.517 -4.178 303 2HB PHE 36 3HB PHE 36 -5.316 -7.949 -3.607 304 HD1 PHE 36 HD1 PHE 36 -5.182 -7.873 -6.284 305 HD2 PHE 36 HD2 PHE 36 -8.020 -5.659 -3.887 306 HE1 PHE 36 HE1 PHE 36 -6.659 -7.608 -8.252 307 HE2 PHE 36 HE2 PHE 36 -9.499 -5.481 -5.827 308 HZ PHE 36 HZ PHE 36 -8.792 -6.340 -8.034 309 H TRP 37 HN TRP 37 -3.502 -5.039 -1.699 310 HA TRP 37 HA TRP 37 -2.299 -7.389 -0.471 311 1HB TRP 37 2HB TRP 37 -1.480 -4.527 0.043 312 2HB TRP 37 3HB TRP 37 -0.673 -5.987 0.590 313 HD1 TRP 37 HD1 TRP 37 -1.152 -3.924 -2.615 314 HE1 TRP 37 HE1 TRP 37 0.331 -4.796 -4.419 315 HE3 TRP 37 HE3 TRP 37 0.711 -7.966 -0.173 316 HZ2 TRP 37 HZ2 TRP 37 2.612 -6.748 -4.584 317 HZ3 TRP 37 HZ3 TRP 37 2.539 -9.291 -1.112 318 HH2 TRP 37 HH2 TRP 37 3.617 -8.611 -3.317 319 H ALA 38 HN ALA 38 -4.727 -5.124 0.679 320 HA ALA 38 HA ALA 38 -4.077 -5.449 3.529 321 1HB ALA 38 1HB ALA 38 -5.951 -3.934 3.851 322 2HB ALA 38 2HB ALA 38 -4.931 -3.276 2.567 323 3HB ALA 38 3HB ALA 38 -6.445 -4.125 2.162 324 H LEU 39 HN LEU 39 -4.484 -7.850 2.209 325 HA LEU 39 HA LEU 39 -6.278 -9.295 3.865 326 1HB LEU 39 2HB LEU 39 -7.985 -9.841 2.096 327 2HB LEU 39 3HB LEU 39 -8.005 -8.278 2.876 328 HG LEU 39 HG LEU 39 -6.771 -7.404 0.714 329 1HD1 LEU 39 1HD1 LEU 39 -6.533 -9.609 -0.398 330 2HD1 LEU 39 2HD1 LEU 39 -8.315 -9.759 -0.431 331 3HD1 LEU 39 3HD1 LEU 39 -7.481 -8.455 -1.326 332 1HD2 LEU 39 1HD2 LEU 39 -8.950 -6.803 -0.165 333 2HD2 LEU 39 2HD2 LEU 39 -9.706 -8.053 0.865 334 3HD2 LEU 39 3HD2 LEU 39 -8.895 -6.660 1.604 335 H GLU 40 HN GLU 40 -3.584 -9.375 3.066 336 HA GLU 40 HA GLU 40 -3.261 -11.793 1.425 337 1HB GLU 40 2HB GLU 40 -1.535 -9.518 2.478 338 2HB GLU 40 3HB GLU 40 -0.738 -10.999 1.954 339 1HG GLU 40 2HG GLU 40 -2.761 -9.501 0.292 340 2HG GLU 40 3HG GLU 40 -1.027 -9.210 0.222 341 H GLU 41 HN GLU 41 -1.031 -12.945 2.565 342 HA GLU 41 HA GLU 41 -1.763 -13.616 5.344 343 1HB GLU 41 2HB GLU 41 -1.495 -16.002 4.800 344 2HB GLU 41 3HB GLU 41 -2.843 -15.255 3.935 345 1HG GLU 41 2HG GLU 41 -1.440 -15.068 1.875 346 2HG GLU 41 3HG GLU 41 -0.095 -15.832 2.707 347 H LEU 42 HN LEU 42 0.084 -11.881 5.173 348 HA LEU 42 HA LEU 42 2.576 -13.380 5.702 349 1HB LEU 42 2HB LEU 42 1.925 -12.145 3.248 350 2HB LEU 42 3HB LEU 42 3.037 -11.002 4.035 351 HG LEU 42 HG LEU 42 4.094 -13.715 4.379 352 1HD1 LEU 42 1HD1 LEU 42 4.438 -14.452 2.109 353 2HD1 LEU 42 2HD1 LEU 42 2.709 -14.353 2.447 354 3HD1 LEU 42 3HD1 LEU 42 3.486 -13.096 1.467 355 1HD2 LEU 42 1HD2 LEU 42 5.976 -12.795 3.079 356 2HD2 LEU 42 2HD2 LEU 42 5.038 -11.336 2.764 357 3HD2 LEU 42 3HD2 LEU 42 5.458 -11.783 4.444 358 H GLU 43 HN GLU 43 3.821 -10.512 5.509 359 HA GLU 43 HA GLU 43 2.799 -9.321 7.947 360 1HB GLU 43 2HB GLU 43 4.820 -9.738 9.222 361 2HB GLU 43 3HB GLU 43 4.218 -11.311 8.662 362 1HG GLU 43 2HG GLU 43 5.866 -10.814 6.605 363 2HG GLU 43 3HG GLU 43 6.585 -9.696 7.744 364 H THR 44 HN THR 44 3.805 -7.350 8.203 365 HA THR 44 HA THR 44 6.056 -6.315 6.496 366 HB THR 44 HB THR 44 4.101 -5.279 5.573 367 HG1 THR 44 HG1 THR 44 4.618 -3.109 6.229 368 1HG2 THR 44 1HG2 THR 44 3.496 -4.138 8.350 369 2HG2 THR 44 2HG2 THR 44 2.548 -3.912 6.892 370 3HG2 THR 44 3HG2 THR 44 2.573 -5.480 7.646 371 HA PRO 45 HA PRO 45 6.700 -4.445 10.528 372 1HB PRO 45 2HB PRO 45 9.322 -3.988 10.367 373 2HB PRO 45 3HB PRO 45 8.710 -5.638 10.534 374 1HG PRO 45 2HG PRO 45 9.818 -4.256 8.097 375 2HG PRO 45 3HG PRO 45 9.943 -5.980 8.574 376 1HD PRO 45 2HD PRO 45 8.048 -4.636 6.866 377 2HD PRO 45 3HD PRO 45 8.056 -6.386 7.317 378 H ALA 46 HN ALA 46 6.732 -3.158 7.394 379 HA ALA 46 HA ALA 46 7.645 -0.420 8.002 380 1HB ALA 46 1HB ALA 46 7.357 -0.173 5.534 381 2HB ALA 46 2HB ALA 46 8.385 -1.556 5.925 382 3HB ALA 46 3HB ALA 46 6.696 -1.800 5.437 383 H LYS 47 HN LYS 47 6.177 1.334 6.815 384 HA LYS 47 HA LYS 47 3.448 1.268 7.819 385 1HB LYS 47 2HB LYS 47 5.184 3.087 6.093 386 2HB LYS 47 3HB LYS 47 3.476 3.413 6.289 387 1HG LYS 47 2HG LYS 47 3.778 3.585 8.712 388 2HG LYS 47 3HG LYS 47 5.452 3.142 8.570 389 1HD LYS 47 2HD LYS 47 6.147 5.225 8.131 390 2HD LYS 47 3HD LYS 47 4.924 5.469 6.881 391 1HE LYS 47 2HE LYS 47 3.419 6.471 8.318 392 2HE LYS 47 3HE LYS 47 3.946 5.537 9.702 393 1HZ LYS 47 1HZ LYS 47 5.786 6.954 10.003 394 2HZ LYS 47 2HZ LYS 47 5.528 7.775 8.565 395 3HZ LYS 47 3HZ LYS 47 4.495 7.918 9.791 396 H VAL 48 HN VAL 48 1.589 0.712 6.553 397 HA VAL 48 HA VAL 48 1.846 0.002 3.752 398 HB VAL 48 HB VAL 48 0.651 -2.062 4.739 399 1HG1 VAL 48 1HG1 VAL 48 3.512 -1.880 5.680 400 2HG1 VAL 48 2HG1 VAL 48 2.682 -3.226 4.835 401 3HG1 VAL 48 3HG1 VAL 48 3.142 -1.764 3.977 402 1HG2 VAL 48 1HG2 VAL 48 0.728 -2.603 6.995 403 2HG2 VAL 48 2HG2 VAL 48 1.897 -1.322 7.376 404 3HG2 VAL 48 3HG2 VAL 48 0.224 -0.911 6.948 405 H TYR 49 HN TYR 49 0.649 2.220 4.238 406 HA TYR 49 HA TYR 49 -2.112 1.863 5.336 407 1HB TYR 49 2HB TYR 49 -0.816 4.222 3.969 408 2HB TYR 49 3HB TYR 49 -2.360 4.251 4.795 409 HD1 TYR 49 HD1 TYR 49 -2.501 4.558 7.172 410 HD2 TYR 49 HD2 TYR 49 1.378 3.990 5.346 411 HE1 TYR 49 HE1 TYR 49 -1.426 5.319 9.258 412 HE2 TYR 49 HE2 TYR 49 2.408 4.930 7.355 413 HH TYR 49 HH TYR 49 1.026 4.979 10.352 414 H ALA 50 HN ALA 50 -4.087 2.506 3.894 415 HA ALA 50 HA ALA 50 -3.524 2.027 0.987 416 1HB ALA 50 1HB ALA 50 -5.049 0.291 0.936 417 2HB ALA 50 2HB ALA 50 -3.981 -0.039 2.287 418 3HB ALA 50 3HB ALA 50 -5.605 0.586 2.615 419 H ILE 51 HN ILE 51 -5.090 2.898 -0.419 420 HA ILE 51 HA ILE 51 -6.321 5.315 0.655 421 HB ILE 51 HB ILE 51 -6.154 4.210 -2.186 422 1HG1 ILE 51 2HG1 ILE 51 -3.977 4.851 -1.462 423 2HG1 ILE 51 3HG1 ILE 51 -4.624 6.007 -2.615 424 1HG2 ILE 51 1HG2 ILE 51 -7.109 6.971 -1.279 425 2HG2 ILE 51 2HG2 ILE 51 -6.888 6.401 -2.957 426 3HG2 ILE 51 3HG2 ILE 51 -8.131 5.703 -1.945 427 1HD1 ILE 51 1HD1 ILE 51 -3.369 7.159 -0.909 428 2HD1 ILE 51 2HD1 ILE 51 -5.072 7.548 -0.630 429 3HD1 ILE 51 3HD1 ILE 51 -4.248 6.351 0.398 430 H LYS 52 HN LYS 52 -7.957 5.253 1.716 431 HA LYS 52 HA LYS 52 -10.045 3.466 1.675 432 1HB LYS 52 2HB LYS 52 -9.545 5.375 3.342 433 2HB LYS 52 3HB LYS 52 -10.409 6.454 2.239 434 1HG LYS 52 2HG LYS 52 -12.390 4.925 2.367 435 2HG LYS 52 3HG LYS 52 -11.484 3.822 3.375 436 1HD LYS 52 2HD LYS 52 -12.837 4.871 4.858 437 2HD LYS 52 3HD LYS 52 -11.315 5.722 5.104 438 1HE LYS 52 2HE LYS 52 -12.113 7.669 4.009 439 2HE LYS 52 3HE LYS 52 -13.377 6.785 3.143 440 1HZ LYS 52 1HZ LYS 52 -14.560 6.501 5.188 441 2HZ LYS 52 2HZ LYS 52 -13.390 7.223 6.062 442 3HZ LYS 52 3HZ LYS 52 -14.289 8.096 4.979 443 H ASP 53 HN ASP 53 -9.942 6.528 -0.200 444 HA ASP 53 HA ASP 53 -12.509 6.239 -1.288 445 1HB ASP 53 2HB ASP 53 -10.315 7.998 -1.707 446 2HB ASP 53 3HB ASP 53 -10.720 7.386 -3.293 447 H ASP 54 HN ASP 54 -9.430 4.907 -2.584 448 HA ASP 54 HA ASP 54 -10.642 3.881 -4.971 449 1HB ASP 54 2HB ASP 54 -8.037 3.433 -3.497 450 2HB ASP 54 3HB ASP 54 -8.517 2.386 -4.815 451 H PHE 55 HN PHE 55 -10.044 2.548 -1.713 452 HA PHE 55 HA PHE 55 -10.749 -0.165 -2.236 453 1HB PHE 55 2HB PHE 55 -9.564 0.956 -0.251 454 2HB PHE 55 3HB PHE 55 -11.137 1.355 0.359 455 HD1 PHE 55 HD1 PHE 55 -11.398 0.084 2.313 456 HD2 PHE 55 HD2 PHE 55 -9.833 -1.861 -1.182 457 HE1 PHE 55 HE1 PHE 55 -11.589 -2.103 3.436 458 HE2 PHE 55 HE2 PHE 55 -9.825 -4.013 0.005 459 HZ PHE 55 HZ PHE 55 -10.788 -4.180 2.282 460 H LEU 56 HN LEU 56 -12.594 2.634 -1.099 461 HA LEU 56 HA LEU 56 -15.170 1.398 -0.850 462 1HB LEU 56 2HB LEU 56 -14.293 4.256 -1.436 463 2HB LEU 56 3HB LEU 56 -15.940 3.785 -1.066 464 HG LEU 56 HG LEU 56 -13.628 3.271 0.865 465 1HD1 LEU 56 1HD1 LEU 56 -13.741 5.677 0.482 466 2HD1 LEU 56 2HD1 LEU 56 -15.515 5.652 0.517 467 3HD1 LEU 56 3HD1 LEU 56 -14.589 5.354 2.014 468 1HD2 LEU 56 1HD2 LEU 56 -15.881 2.041 1.190 469 2HD2 LEU 56 2HD2 LEU 56 -15.378 3.063 2.539 470 3HD2 LEU 56 3HD2 LEU 56 -16.624 3.628 1.405 471 H ALA 57 HN ALA 57 -13.406 2.938 -3.536 472 HA ALA 57 HA ALA 57 -15.636 2.712 -5.367 473 1HB ALA 57 1HB ALA 57 -13.899 4.458 -5.674 474 2HB ALA 57 2HB ALA 57 -12.680 3.197 -5.948 475 3HB ALA 57 3HB ALA 57 -14.015 3.402 -7.093 476 H ARG 58 HN ARG 58 -13.463 0.539 -3.998 477 HA ARG 58 HA ARG 58 -13.780 -1.500 -6.184 478 1HB ARG 58 2HB ARG 58 -11.793 -0.793 -4.026 479 2HB ARG 58 3HB ARG 58 -12.070 -2.446 -4.173 480 1HG ARG 58 2HG ARG 58 -11.382 -1.007 -6.714 481 2HG ARG 58 3HG ARG 58 -10.145 -1.189 -5.454 482 1HD ARG 58 2HD ARG 58 -9.978 -3.067 -6.974 483 2HD ARG 58 3HD ARG 58 -10.438 -3.575 -5.366 484 HE ARG 58 HE ARG 58 -12.631 -4.080 -6.087 485 1HH1 ARG 58 2HH2 ARG 58 -10.651 -3.009 -8.865 486 2HH1 ARG 58 1HH2 ARG 58 -11.998 -3.054 -9.953 487 1HH2 ARG 58 2HH1 ARG 58 -14.353 -4.164 -7.567 488 2HH2 ARG 58 1HH1 ARG 58 -14.123 -3.678 -9.220 489 H GLY 59 HN GLY 59 -15.917 -0.508 -4.191 490 1HA GLY 59 1HA GLY 59 -17.724 -1.504 -3.288 491 2HA GLY 59 2HA GLY 59 -17.137 -3.035 -3.933 492 H TYR 60 HN TYR 60 -14.887 -1.654 -1.563 493 HA TYR 60 HA TYR 60 -15.616 -3.828 0.305 494 1HB TYR 60 2HB TYR 60 -13.236 -1.970 0.114 495 2HB TYR 60 3HB TYR 60 -13.532 -3.117 1.397 496 HD1 TYR 60 HD1 TYR 60 -12.918 -5.434 1.182 497 HD2 TYR 60 HD2 TYR 60 -12.684 -2.748 -2.119 498 HE1 TYR 60 HE1 TYR 60 -11.568 -7.127 -0.079 499 HE2 TYR 60 HE2 TYR 60 -11.295 -4.404 -3.399 500 HH TYR 60 HH TYR 60 -10.618 -7.670 -2.249 501 H SER 61 HN SER 61 -15.732 -3.098 2.588 502 HA SER 61 HA SER 61 -16.667 -0.309 2.980 503 1HB SER 61 2HB SER 61 -18.219 -2.134 3.460 504 2HB SER 61 3HB SER 61 -17.043 -2.882 4.557 505 HG SER 61 HG SER 61 -18.061 -0.243 4.856 506 H GLU 62 HN GLU 62 -15.908 0.472 5.318 507 HA GLU 62 HA GLU 62 -13.162 0.787 4.983 508 1HB GLU 62 2HB GLU 62 -14.840 1.415 7.453 509 2HB GLU 62 3HB GLU 62 -13.243 2.085 7.075 510 1HG GLU 62 2HG GLU 62 -14.224 3.061 4.964 511 2HG GLU 62 3HG GLU 62 -15.810 2.502 5.476 512 H GLU 63 HN GLU 63 -15.000 -1.331 7.181 513 HA GLU 63 HA GLU 63 -12.656 -1.950 8.709 514 1HB GLU 63 2HB GLU 63 -15.414 -2.176 9.095 515 2HB GLU 63 3HB GLU 63 -14.876 -3.850 9.020 516 1HG GLU 63 2HG GLU 63 -12.969 -3.052 10.655 517 2HG GLU 63 3HG GLU 63 -14.002 -1.648 10.927 518 H ASP 64 HN ASP 64 -13.315 -2.911 5.638 519 HA ASP 64 HA ASP 64 -13.016 -5.823 5.912 520 1HB ASP 64 2HB ASP 64 -13.370 -3.962 3.533 521 2HB ASP 64 3HB ASP 64 -13.134 -5.685 3.377 522 H SER 65 HN SER 65 -10.963 -3.137 5.599 523 HA SER 65 HA SER 65 -8.820 -4.588 4.164 524 1HB SER 65 2HB SER 65 -9.497 -1.744 4.717 525 2HB SER 65 3HB SER 65 -7.826 -2.105 5.091 526 HG SER 65 HG SER 65 -9.191 -2.478 2.651 527 H LYS 66 HN LYS 66 -7.226 -5.604 5.438 528 HA LYS 66 HA LYS 66 -7.175 -5.133 8.348 529 1HB LYS 66 2HB LYS 66 -5.652 -7.007 8.399 530 2HB LYS 66 3HB LYS 66 -7.023 -7.372 7.341 531 1HG LYS 66 2HG LYS 66 -5.741 -7.919 5.694 532 2HG LYS 66 3HG LYS 66 -4.999 -6.319 5.647 533 1HD LYS 66 2HD LYS 66 -3.071 -6.996 6.545 534 2HD LYS 66 3HD LYS 66 -3.812 -8.112 7.690 535 1HE LYS 66 2HE LYS 66 -3.790 -8.769 4.705 536 2HE LYS 66 3HE LYS 66 -2.368 -9.068 5.679 537 1HZ LYS 66 1HZ LYS 66 -3.438 -10.617 6.981 538 2HZ LYS 66 2HZ LYS 66 -4.960 -10.136 6.614 539 3HZ LYS 66 3HZ LYS 66 -4.011 -10.944 5.525 540 H VAL 67 HN VAL 67 -6.475 -2.709 6.921 541 HA VAL 67 HA VAL 67 -3.836 -2.129 8.051 542 HB VAL 67 HB VAL 67 -2.816 -1.378 6.085 543 1HG1 VAL 67 1HG1 VAL 67 -2.526 -3.720 6.536 544 2HG1 VAL 67 2HG1 VAL 67 -3.849 -4.114 5.407 545 3HG1 VAL 67 3HG1 VAL 67 -2.367 -3.320 4.816 546 1HG2 VAL 67 1HG2 VAL 67 -5.368 -1.901 4.579 547 2HG2 VAL 67 2HG2 VAL 67 -4.476 -0.384 4.786 548 3HG2 VAL 67 3HG2 VAL 67 -3.767 -1.667 3.812 549 HA PRO 68 HA PRO 68 -5.989 1.699 8.518 550 1HB PRO 68 2HB PRO 68 -4.027 3.605 8.458 551 2HB PRO 68 3HB PRO 68 -4.252 2.450 9.799 552 1HG PRO 68 2HG PRO 68 -2.293 2.214 7.505 553 2HG PRO 68 3HG PRO 68 -2.008 1.924 9.255 554 1HD PRO 68 2HD PRO 68 -2.444 -0.059 7.531 555 2HD PRO 68 3HD PRO 68 -3.094 -0.104 9.184 556 H LEU 69 HN LEU 69 -7.368 2.284 7.245 557 HA LEU 69 HA LEU 69 -6.886 3.011 4.453 558 1HB LEU 69 2HB LEU 69 -9.364 3.125 6.237 559 2HB LEU 69 3HB LEU 69 -9.341 3.503 4.520 560 HG LEU 69 HG LEU 69 -8.726 0.778 5.732 561 1HD1 LEU 69 1HD1 LEU 69 -11.084 1.813 4.101 562 2HD1 LEU 69 2HD1 LEU 69 -10.845 0.165 4.678 563 3HD1 LEU 69 3HD1 LEU 69 -11.064 1.481 5.848 564 1HD2 LEU 69 1HD2 LEU 69 -8.887 0.086 3.265 565 2HD2 LEU 69 2HD2 LEU 69 -8.686 1.800 2.863 566 3HD2 LEU 69 3HD2 LEU 69 -7.422 0.922 3.757 567 H ILE 70 HN ILE 70 -6.166 4.850 3.919 568 HA ILE 70 HA ILE 70 -6.773 7.267 5.552 569 HB ILE 70 HB ILE 70 -4.627 8.054 5.220 570 1HG1 ILE 70 2HG1 ILE 70 -3.989 5.750 3.332 571 2HG1 ILE 70 3HG1 ILE 70 -4.247 7.430 2.877 572 1HG2 ILE 70 1HG2 ILE 70 -5.014 6.238 6.950 573 2HG2 ILE 70 2HG2 ILE 70 -4.195 5.120 5.863 574 3HG2 ILE 70 3HG2 ILE 70 -3.337 6.543 6.507 575 1HD1 ILE 70 1HD1 ILE 70 -1.866 6.912 2.943 576 2HD1 ILE 70 2HD1 ILE 70 -2.282 8.127 4.170 577 3HD1 ILE 70 3HD1 ILE 70 -1.970 6.467 4.650 578 H THR 71 HN THR 71 -6.357 9.375 4.119 579 HA THR 71 HA THR 71 -8.032 9.071 1.731 580 HB THR 71 HB THR 71 -7.743 11.626 1.800 581 HG1 THR 71 HG1 THR 71 -7.147 12.091 4.214 582 1HG2 THR 71 1HG2 THR 71 -9.711 10.387 2.725 583 2HG2 THR 71 2HG2 THR 71 -8.904 10.350 4.305 584 3HG2 THR 71 3HG2 THR 71 -9.368 11.904 3.562 585 H TYR 72 HN TYR 72 -7.302 10.531 -0.184 586 HA TYR 72 HA TYR 72 -4.776 9.661 -1.239 587 1HB TYR 72 2HB TYR 72 -7.065 11.259 -2.113 588 2HB TYR 72 3HB TYR 72 -5.599 12.139 -2.451 589 HD1 TYR 72 HD1 TYR 72 -7.223 8.797 -2.943 590 HD2 TYR 72 HD2 TYR 72 -4.364 11.666 -4.432 591 HE1 TYR 72 HE1 TYR 72 -6.894 7.410 -4.989 592 HE2 TYR 72 HE2 TYR 72 -4.050 10.310 -6.465 593 HH TYR 72 HH TYR 72 -4.373 8.112 -7.352 594 H SER 73 HN SER 73 -5.702 12.523 0.767 595 HA SER 73 HA SER 73 -3.179 13.810 0.148 596 1HB SER 73 2HB SER 73 -4.023 15.535 1.626 597 2HB SER 73 3HB SER 73 -5.212 15.051 0.395 598 HG SER 73 HG SER 73 -5.240 14.598 3.155 599 H GLU 74 HN GLU 74 -4.493 11.918 2.838 600 HA GLU 74 HA GLU 74 -2.339 12.301 4.699 601 1HB GLU 74 2HB GLU 74 -4.409 10.120 4.292 602 2HB GLU 74 3HB GLU 74 -3.073 9.927 5.420 603 1HG GLU 74 2HG GLU 74 -3.989 12.393 6.189 604 2HG GLU 74 3HG GLU 74 -5.492 11.598 5.723 605 H PHE 75 HN PHE 75 -2.744 10.194 1.838 606 HA PHE 75 HA PHE 75 -0.344 8.667 2.285 607 1HB PHE 75 2HB PHE 75 -1.938 7.963 0.616 608 2HB PHE 75 3HB PHE 75 -1.860 9.485 -0.207 609 HD1 PHE 75 HD1 PHE 75 -1.361 8.698 -2.354 610 HD2 PHE 75 HD2 PHE 75 1.262 7.691 0.896 611 HE1 PHE 75 HE1 PHE 75 0.156 7.486 -3.931 612 HE2 PHE 75 HE2 PHE 75 2.804 6.583 -0.676 613 HZ PHE 75 HZ PHE 75 2.236 6.445 -3.091 614 H ILE 76 HN ILE 76 -0.877 11.725 0.419 615 HA ILE 76 HA ILE 76 1.741 12.068 -0.427 616 HB ILE 76 HB ILE 76 -0.218 14.194 0.311 617 1HG1 ILE 76 2HG1 ILE 76 -1.267 12.774 -1.259 618 2HG1 ILE 76 3HG1 ILE 76 -0.751 14.188 -2.138 619 1HG2 ILE 76 1HG2 ILE 76 1.000 15.683 -1.163 620 2HG2 ILE 76 2HG2 ILE 76 2.124 15.066 0.029 621 3HG2 ILE 76 3HG2 ILE 76 2.155 14.390 -1.601 622 1HD1 ILE 76 1HD1 ILE 76 -0.397 12.212 -3.475 623 2HD1 ILE 76 2HD1 ILE 76 1.199 12.841 -3.034 624 3HD1 ILE 76 3HD1 ILE 76 0.523 11.415 -2.201 625 H ASP 77 HN ASP 77 0.433 12.952 2.763 626 HA ASP 77 HA ASP 77 2.598 14.353 3.889 627 1HB ASP 77 2HB ASP 77 0.467 14.156 4.909 628 2HB ASP 77 3HB ASP 77 0.573 12.432 5.115 629 H LEU 78 HN LEU 78 2.270 10.938 3.221 630 HA LEU 78 HA LEU 78 4.348 10.135 5.022 631 1HB LEU 78 2HB LEU 78 2.959 8.558 2.824 632 2HB LEU 78 3HB LEU 78 4.024 7.861 3.995 633 HG LEU 78 HG LEU 78 1.421 9.249 4.737 634 1HD1 LEU 78 1HD1 LEU 78 0.992 7.261 3.423 635 2HD1 LEU 78 2HD1 LEU 78 2.067 6.292 4.452 636 3HD1 LEU 78 3HD1 LEU 78 0.554 6.972 5.106 637 1HD2 LEU 78 1HD2 LEU 78 1.725 8.037 6.908 638 2HD2 LEU 78 2HD2 LEU 78 3.360 7.573 6.370 639 3HD2 LEU 78 3HD2 LEU 78 2.933 9.283 6.614 640 H LEU 79 HN LEU 79 4.167 11.165 1.598 641 HA LEU 79 HA LEU 79 6.733 10.142 0.833 642 1HB LEU 79 2HB LEU 79 4.889 12.191 -0.470 643 2HB LEU 79 3HB LEU 79 6.370 11.537 -1.141 644 HG LEU 79 HG LEU 79 4.577 10.434 -2.122 645 1HD1 LEU 79 1HD1 LEU 79 5.563 8.502 -0.011 646 2HD1 LEU 79 2HD1 LEU 79 5.071 8.085 -1.648 647 3HD1 LEU 79 3HD1 LEU 79 6.581 9.020 -1.346 648 1HD2 LEU 79 1HD2 LEU 79 2.677 9.644 -1.268 649 2HD2 LEU 79 2HD2 LEU 79 3.435 9.071 0.244 650 3HD2 LEU 79 3HD2 LEU 79 3.101 10.759 0.037 651 H GLU 80 HN GLU 80 5.500 13.449 1.000 652 HA GLU 80 HA GLU 80 6.802 15.405 0.821 653 1HB GLU 80 2HB GLU 80 6.767 14.494 3.706 654 2HB GLU 80 3HB GLU 80 7.023 16.166 3.177 655 1HG GLU 80 2HG GLU 80 4.577 14.476 2.597 656 2HG GLU 80 3HG GLU 80 4.646 15.656 3.887 657 H GLY 81 HN GLY 81 8.574 14.663 -0.452 658 1HA GLY 81 1HA GLY 81 10.858 15.214 -0.703 659 2HA GLY 81 2HA GLY 81 11.145 14.921 1.009 660 H GLU 82 HN GLU 82 9.291 12.345 -0.576 661 HA GLU 82 HA GLU 82 11.743 10.823 -1.097 662 1HB GLU 82 2HB GLU 82 9.443 9.877 0.662 663 2HB GLU 82 3HB GLU 82 10.678 8.857 -0.070 664 1HG GLU 82 2HG GLU 82 12.417 10.363 1.101 665 2HG GLU 82 3HG GLU 82 11.066 10.918 2.108 666 H GLU 83 HN GLU 83 11.669 9.608 -2.822 667 HA GLU 83 HA GLU 83 9.112 8.766 -3.970 668 1HB GLU 83 2HB GLU 83 11.057 10.719 -5.088 669 2HB GLU 83 3HB GLU 83 10.524 9.472 -6.221 670 1HG GLU 83 2HG GLU 83 8.147 10.021 -5.595 671 2HG GLU 83 3HG GLU 83 8.762 11.372 -4.640 672 H LYS 84 HN LYS 84 9.689 6.741 -3.059 673 HA LYS 84 HA LYS 84 11.152 5.103 -4.989 674 1HB LYS 84 2HB LYS 84 12.805 4.266 -3.286 675 2HB LYS 84 3HB LYS 84 13.000 5.981 -3.557 676 1HG LYS 84 2HG LYS 84 11.329 6.184 -1.459 677 2HG LYS 84 3HG LYS 84 11.985 4.580 -1.131 678 1HD LYS 84 2HD LYS 84 13.292 6.028 0.113 679 2HD LYS 84 3HD LYS 84 14.319 5.766 -1.316 680 1HE LYS 84 2HE LYS 84 13.770 7.918 -2.212 681 2HE LYS 84 3HE LYS 84 12.279 8.014 -1.263 682 1HZ LYS 84 1HZ LYS 84 15.006 8.283 -0.150 683 2HZ LYS 84 2HZ LYS 84 13.965 9.487 -0.365 684 3HZ LYS 84 3HZ LYS 84 13.599 8.310 0.732 685 H PHE 85 HN PHE 85 8.336 5.236 -3.943 686 HA PHE 85 HA PHE 85 7.871 2.471 -3.682 687 1HB PHE 85 2HB PHE 85 7.024 2.456 -1.340 688 2HB PHE 85 3HB PHE 85 8.745 2.668 -1.408 689 HD1 PHE 85 HD1 PHE 85 5.555 4.304 -0.428 690 HD2 PHE 85 HD2 PHE 85 9.779 4.859 -0.868 691 HE1 PHE 85 HE1 PHE 85 5.407 6.406 0.836 692 HE2 PHE 85 HE2 PHE 85 9.656 6.949 0.466 693 HZ PHE 85 HZ PHE 85 7.460 7.766 1.270 694 H ILE 86 HN ILE 86 6.754 4.373 -5.304 695 HA ILE 86 HA ILE 86 4.459 5.465 -3.756 696 HB ILE 86 HB ILE 86 5.151 6.542 -6.436 697 1HG1 ILE 86 2HG1 ILE 86 7.458 6.332 -5.409 698 2HG1 ILE 86 3HG1 ILE 86 6.963 7.978 -5.612 699 1HG2 ILE 86 1HG2 ILE 86 4.712 8.704 -5.186 700 2HG2 ILE 86 2HG2 ILE 86 3.350 7.579 -5.195 701 3HG2 ILE 86 3HG2 ILE 86 4.356 7.712 -3.751 702 1HD1 ILE 86 1HD1 ILE 86 8.030 7.142 -3.276 703 2HD1 ILE 86 2HD1 ILE 86 6.805 8.397 -3.353 704 3HD1 ILE 86 3HD1 ILE 86 6.383 6.720 -2.917 705 H GLY 87 HN GLY 87 2.529 6.051 -5.560 706 1HA GLY 87 1HA GLY 87 2.231 5.223 -7.928 707 2HA GLY 87 2HA GLY 87 2.166 3.623 -7.134
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