NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24816 | 2k4x | 15811 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 1.637 0.114 -0.309 2 H2 MET 1 HT2 MET 1 3.124 -0.586 0.084 3 H3 MET 1 HT3 MET 1 1.949 -1.496 -0.720 4 HA MET 1 HA MET 1 3.692 -0.816 -2.226 5 HB2 MET 1 HB2 MET 1 1.049 0.596 -2.704 6 HB3 MET 1 HB1 MET 1 2.261 0.283 -3.939 7 HG2 MET 1 HG2 MET 1 0.473 -1.331 -4.088 8 HG3 MET 1 HG1 MET 1 1.970 -2.129 -3.604 9 HE1 MET 1 HE1 MET 1 0.586 -4.269 -2.859 10 HE2 MET 1 HE2 MET 1 -0.918 -3.478 -3.335 11 HE3 MET 1 HE3 MET 1 -0.774 -4.217 -1.740 12 H GLN 2 HN GLN 2 1.769 2.063 -1.368 13 HA GLN 2 HA GLN 2 2.298 4.231 -1.033 14 HB2 GLN 2 HB2 GLN 2 5.028 3.055 -0.507 15 HB3 GLN 2 HB1 GLN 2 4.745 4.787 -0.454 16 HG2 GLN 2 HG2 GLN 2 4.697 3.793 1.769 17 HG3 GLN 2 HG1 GLN 2 3.141 4.504 1.344 18 HE21 GLN 2 HE21 GLN 2 1.367 3.176 1.066 19 HE22 GLN 2 HE22 GLN 2 1.366 1.508 1.532 20 H LYS 3 HN LYS 3 1.896 5.254 -2.874 21 HA LYS 3 HA LYS 3 3.903 5.198 -5.018 22 HB2 LYS 3 HB2 LYS 3 2.201 6.100 -6.498 23 HB3 LYS 3 HB1 LYS 3 1.583 4.664 -5.702 24 HG2 LYS 3 HG2 LYS 3 0.952 7.444 -4.721 25 HG3 LYS 3 HG1 LYS 3 -0.006 6.634 -5.959 26 HD2 LYS 3 HD2 LYS 3 -0.569 4.853 -4.424 27 HD3 LYS 3 HD1 LYS 3 0.516 5.514 -3.201 28 HE2 LYS 3 HE2 LYS 3 -1.838 6.048 -2.732 29 HE3 LYS 3 HE1 LYS 3 -0.869 7.497 -2.998 30 HZ1 LYS 3 HZ1 LYS 3 -2.580 6.226 -5.063 31 HZ2 LYS 3 HZ2 LYS 3 -1.754 7.697 -5.195 32 HZ3 LYS 3 HZ3 LYS 3 -3.043 7.544 -4.114 33 H ARG 4 HN ARG 4 5.184 6.894 -5.322 34 HA ARG 4 HA ARG 4 4.694 9.301 -3.719 35 HB2 ARG 4 HB2 ARG 4 7.231 8.405 -5.123 36 HB3 ARG 4 HB1 ARG 4 7.072 9.832 -4.110 37 HG2 ARG 4 HG2 ARG 4 8.094 8.234 -2.736 38 HG3 ARG 4 HG1 ARG 4 6.404 8.239 -2.231 39 HD2 ARG 4 HD2 ARG 4 6.039 6.269 -3.751 40 HD3 ARG 4 HD1 ARG 4 7.784 6.218 -4.001 41 HE ARG 4 HE ARG 4 6.848 6.108 -1.244 42 HH11 ARG 4 HH11 ARG 4 8.067 4.385 -4.032 43 HH12 ARG 4 HH12 ARG 4 8.419 2.936 -3.148 44 HH21 ARG 4 HH21 ARG 4 7.324 4.200 -0.064 45 HH22 ARG 4 HH22 ARG 4 7.980 2.823 -0.892 46 H GLU 5 HN GLU 5 3.250 10.419 -4.964 47 HA GLU 5 HA GLU 5 4.166 11.222 -7.652 48 HB2 GLU 5 HB2 GLU 5 1.297 10.855 -6.754 49 HB3 GLU 5 HB1 GLU 5 1.832 11.335 -8.360 50 HG2 GLU 5 HG2 GLU 5 2.953 9.148 -8.608 51 HG3 GLU 5 HG1 GLU 5 2.326 8.671 -7.031 52 H LEU 6 HN LEU 6 5.218 12.940 -6.394 53 HA LEU 6 HA LEU 6 3.432 15.067 -5.485 54 HB2 LEU 6 HB2 LEU 6 6.450 14.829 -5.473 55 HB3 LEU 6 HB1 LEU 6 5.586 16.260 -4.949 56 HG LEU 6 HG LEU 6 4.477 14.853 -3.179 57 HD11 LEU 6 HD11 LEU 6 4.781 12.654 -4.175 58 HD12 LEU 6 HD12 LEU 6 5.520 12.724 -2.576 59 HD13 LEU 6 HD13 LEU 6 6.531 12.808 -4.019 60 HD21 LEU 6 HD21 LEU 6 7.489 15.032 -3.098 61 HD22 LEU 6 HD22 LEU 6 6.427 14.838 -1.702 62 HD23 LEU 6 HD23 LEU 6 6.356 16.313 -2.664 63 H TYR 7 HN TYR 7 2.494 15.552 -7.500 64 HA TYR 7 HA TYR 7 4.295 16.550 -9.588 65 HB2 TYR 7 HB2 TYR 7 2.275 16.490 -11.058 66 HB3 TYR 7 HB1 TYR 7 2.733 14.922 -10.412 67 HD1 TYR 7 HD2 TYR 7 1.405 13.983 -8.453 68 HD2 TYR 7 HD1 TYR 7 0.099 17.360 -10.704 69 HE1 TYR 7 HE2 TYR 7 -0.885 13.642 -7.630 70 HE2 TYR 7 HE1 TYR 7 -2.195 17.023 -9.884 71 HH TYR 7 HH TYR 7 -3.576 15.190 -8.997 72 H GLU 8 HN GLU 8 4.366 18.599 -10.204 73 HA GLU 8 HA GLU 8 3.257 20.586 -8.435 74 HB2 GLU 8 HB2 GLU 8 4.644 22.144 -9.777 75 HB3 GLU 8 HB1 GLU 8 5.560 20.767 -9.175 76 HG2 GLU 8 HG2 GLU 8 5.122 19.692 -11.451 77 HG3 GLU 8 HG1 GLU 8 4.615 21.296 -11.977 78 H ILE 9 HN ILE 9 2.605 22.739 -9.681 79 HA ILE 9 HA ILE 9 0.728 22.141 -11.854 80 HB ILE 9 HB ILE 9 -1.018 23.562 -10.769 81 HG12 ILE 9 HG12 ILE 9 0.667 23.226 -8.268 82 HG13 ILE 9 HG11 ILE 9 0.511 24.725 -9.175 83 HG21 ILE 9 HG21 ILE 9 -1.214 21.138 -10.737 84 HG22 ILE 9 HG22 ILE 9 -1.853 21.830 -9.245 85 HG23 ILE 9 HG23 ILE 9 -0.264 21.063 -9.252 86 HD11 ILE 9 HD11 ILE 9 -1.727 23.277 -7.772 87 HD12 ILE 9 HD12 ILE 9 -1.872 24.792 -8.664 88 HD13 ILE 9 HD13 ILE 9 -0.899 24.722 -7.195 89 H ALA 10 HN ALA 10 0.262 23.875 -13.190 90 HA ALA 10 HA ALA 10 1.802 26.350 -12.712 91 HB1 ALA 10 HB1 ALA 10 1.836 26.666 -15.144 92 HB2 ALA 10 HB2 ALA 10 0.958 25.151 -15.358 93 HB3 ALA 10 HB3 ALA 10 2.590 25.137 -14.689 94 H ASP 11 HN ASP 11 0.220 27.412 -11.574 95 HA ASP 11 HA ASP 11 -2.435 27.689 -12.822 96 HB2 ASP 11 HB2 ASP 11 -2.350 26.742 -10.517 97 HB3 ASP 11 HB1 ASP 11 -1.612 28.238 -9.953 98 H GLY 12 HN GLY 12 -3.128 29.633 -13.508 99 HA2 GLY 12 HA2 GLY 12 -1.377 31.859 -13.695 100 HA3 GLY 12 HA1 GLY 12 -3.098 31.862 -14.067 101 H LYS 13 HN LYS 13 -0.690 32.747 -11.809 102 HA LYS 13 HA LYS 13 -2.226 32.982 -9.462 103 HB2 LYS 13 HB2 LYS 13 0.246 32.990 -9.500 104 HB3 LYS 13 HB1 LYS 13 0.226 34.556 -10.293 105 HG2 LYS 13 HG2 LYS 13 -0.830 35.551 -8.321 106 HG3 LYS 13 HG1 LYS 13 -0.828 33.976 -7.523 107 HD2 LYS 13 HD2 LYS 13 1.636 33.934 -7.646 108 HD3 LYS 13 HD1 LYS 13 1.618 35.518 -8.424 109 HE2 LYS 13 HE2 LYS 13 0.574 36.483 -6.424 110 HE3 LYS 13 HE1 LYS 13 0.596 34.899 -5.648 111 HZ1 LYS 13 HZ1 LYS 13 2.451 36.252 -4.922 112 HZ2 LYS 13 HZ2 LYS 13 2.986 36.439 -6.513 113 HZ3 LYS 13 HZ3 LYS 13 3.014 34.911 -5.785 114 H LEU 14 HN LEU 14 -4.201 33.924 -10.016 115 HA LEU 14 HA LEU 14 -4.201 36.695 -10.963 116 HB2 LEU 14 HB2 LEU 14 -6.485 34.776 -10.457 117 HB3 LEU 14 HB1 LEU 14 -6.666 36.408 -11.075 118 HG LEU 14 HG LEU 14 -5.261 34.121 -12.472 119 HD11 LEU 14 HD11 LEU 14 -7.093 34.290 -14.090 120 HD12 LEU 14 HD12 LEU 14 -7.857 35.534 -13.101 121 HD13 LEU 14 HD13 LEU 14 -7.688 33.892 -12.479 122 HD21 LEU 14 HD21 LEU 14 -4.154 36.235 -12.974 123 HD22 LEU 14 HD22 LEU 14 -5.703 36.970 -13.384 124 HD23 LEU 14 HD23 LEU 14 -5.057 35.664 -14.377 125 H VAL 15 HN VAL 15 -3.549 37.897 -9.249 126 HA VAL 15 HA VAL 15 -5.383 38.007 -6.945 127 HB VAL 15 HB VAL 15 -2.366 38.318 -6.770 128 HG11 VAL 15 HG11 VAL 15 -3.539 39.782 -5.215 129 HG12 VAL 15 HG12 VAL 15 -2.737 38.474 -4.343 130 HG13 VAL 15 HG13 VAL 15 -4.479 38.418 -4.613 131 HG21 VAL 15 HG21 VAL 15 -2.408 36.263 -5.418 132 HG22 VAL 15 HG22 VAL 15 -2.986 35.972 -7.059 133 HG23 VAL 15 HG23 VAL 15 -4.138 36.097 -5.728 134 H ARG 16 HN ARG 16 -6.453 39.829 -7.524 135 HA ARG 16 HA ARG 16 -5.173 42.066 -8.752 136 HB2 ARG 16 HB2 ARG 16 -7.919 41.858 -7.488 137 HB3 ARG 16 HB1 ARG 16 -7.353 43.203 -8.470 138 HG2 ARG 16 HG2 ARG 16 -7.056 41.640 -10.374 139 HG3 ARG 16 HG1 ARG 16 -7.741 40.352 -9.381 140 HD2 ARG 16 HD2 ARG 16 -9.824 41.654 -9.162 141 HD3 ARG 16 HD1 ARG 16 -9.138 42.909 -10.197 142 HE ARG 16 HE ARG 16 -9.843 40.170 -11.042 143 HH11 ARG 16 HH11 ARG 16 -9.084 43.496 -11.839 144 HH12 ARG 16 HH12 ARG 16 -9.549 43.332 -13.501 145 HH21 ARG 16 HH21 ARG 16 -10.457 39.956 -13.231 146 HH22 ARG 16 HH22 ARG 16 -10.350 41.324 -14.291 147 H LYS 17 HN LYS 17 -3.514 42.669 -7.425 148 HA LYS 17 HA LYS 17 -3.613 43.099 -4.664 149 HB2 LYS 17 HB2 LYS 17 -1.559 42.893 -6.129 150 HB3 LYS 17 HB1 LYS 17 -1.833 44.552 -6.637 151 HG2 LYS 17 HG2 LYS 17 -1.562 45.305 -4.320 152 HG3 LYS 17 HG1 LYS 17 -1.285 43.635 -3.816 153 HD2 LYS 17 HD2 LYS 17 0.684 43.540 -5.312 154 HD3 LYS 17 HD1 LYS 17 0.423 45.235 -5.735 155 HE2 LYS 17 HE2 LYS 17 0.720 45.847 -3.367 156 HE3 LYS 17 HE1 LYS 17 1.033 44.155 -2.981 157 HZ1 LYS 17 HZ1 LYS 17 2.929 44.259 -4.543 158 HZ2 LYS 17 HZ2 LYS 17 3.103 45.276 -3.208 159 HZ3 LYS 17 HZ3 LYS 17 2.677 45.923 -4.710 160 H HIS 18 HN HIS 18 -3.345 45.255 -3.569 161 HA HIS 18 HA HIS 18 -4.276 47.215 -2.897 162 HB2 HIS 18 HB2 HIS 18 -4.674 47.690 -5.870 163 HB3 HIS 18 HB1 HIS 18 -4.943 48.899 -4.622 164 HD1 HIS 18 HD1 HIS 18 -2.963 50.267 -3.932 165 HD2 HIS 18 HD2 HIS 18 -1.880 46.898 -6.116 166 HE1 HIS 18 HE1 HIS 18 -0.503 50.517 -4.389 167 HE2 HIS 18 HE2 HIS 18 0.157 48.384 -5.555 168 H ARG 19 HN ARG 19 -5.804 45.137 -2.503 169 HA ARG 19 HA ARG 19 -8.401 45.334 -3.718 170 HB2 ARG 19 HB2 ARG 19 -7.311 43.217 -2.793 171 HB3 ARG 19 HB1 ARG 19 -7.666 43.834 -1.189 172 HG2 ARG 19 HG2 ARG 19 -9.837 43.478 -3.233 173 HG3 ARG 19 HG1 ARG 19 -9.271 42.128 -2.251 174 HD2 ARG 19 HD2 ARG 19 -9.860 43.337 -0.216 175 HD3 ARG 19 HD1 ARG 19 -10.370 44.729 -1.173 176 HE ARG 19 HE ARG 19 -12.114 43.259 -2.128 177 HH11 ARG 19 HH11 ARG 19 -10.708 42.429 0.967 178 HH12 ARG 19 HH12 ARG 19 -12.071 41.492 1.481 179 HH21 ARG 19 HH21 ARG 19 -13.912 42.036 -1.454 180 HH22 ARG 19 HH22 ARG 19 -13.907 41.292 0.114 181 H PHE 20 HN PHE 20 -9.663 47.024 -3.278 182 HA PHE 20 HA PHE 20 -9.287 48.642 -0.932 183 HB2 PHE 20 HB2 PHE 20 -11.316 48.788 -3.178 184 HB3 PHE 20 HB1 PHE 20 -11.197 49.974 -1.885 185 HD1 PHE 20 HD1 PHE 20 -9.476 48.547 -4.813 186 HD2 PHE 20 HD2 PHE 20 -9.523 51.664 -1.912 187 HE1 PHE 20 HE1 PHE 20 -7.803 49.783 -6.119 188 HE2 PHE 20 HE2 PHE 20 -7.850 52.908 -3.217 189 HZ PHE 20 HZ PHE 20 -6.988 51.966 -5.326 190 H CYS 21 HN CYS 21 -11.329 49.425 0.240 191 HA CYS 21 HA CYS 21 -12.726 47.105 1.318 192 HB2 CYS 21 HB2 CYS 21 -11.760 48.898 2.773 193 HB3 CYS 21 HB1 CYS 21 -12.914 50.028 2.087 194 HA PRO 22 HA PRO 22 -15.680 47.160 -1.889 195 HB2 PRO 22 HB2 PRO 22 -17.694 46.716 0.276 196 HB3 PRO 22 HB1 PRO 22 -17.462 45.846 -1.245 197 HG2 PRO 22 HG2 PRO 22 -16.602 44.907 1.141 198 HG3 PRO 22 HG1 PRO 22 -15.795 44.526 -0.389 199 HD2 PRO 22 HD2 PRO 22 -14.875 46.204 1.835 200 HD3 PRO 22 HD1 PRO 22 -13.945 45.532 0.486 201 H ARG 23 HN ARG 23 -17.154 48.653 1.025 202 HA ARG 23 HA ARG 23 -18.672 50.391 -0.712 203 HB2 ARG 23 HB2 ARG 23 -18.724 50.096 2.291 204 HB3 ARG 23 HB1 ARG 23 -19.804 51.135 1.369 205 HG2 ARG 23 HG2 ARG 23 -20.538 49.061 0.121 206 HG3 ARG 23 HG1 ARG 23 -19.642 48.129 1.321 207 HD2 ARG 23 HD2 ARG 23 -21.951 50.003 1.854 208 HD3 ARG 23 HD1 ARG 23 -21.999 48.242 1.910 209 HE ARG 23 HE ARG 23 -20.100 49.512 3.706 210 HH11 ARG 23 HH11 ARG 23 -23.285 48.110 3.303 211 HH12 ARG 23 HH12 ARG 23 -23.556 47.929 5.009 212 HH21 ARG 23 HH21 ARG 23 -20.460 49.252 5.953 213 HH22 ARG 23 HH22 ARG 23 -21.954 48.569 6.504 214 H CYS 24 HN CYS 24 -15.914 50.681 1.429 215 HA CYS 24 HA CYS 24 -16.018 53.602 1.381 216 HB2 CYS 24 HB2 CYS 24 -13.735 51.970 2.480 217 HB3 CYS 24 HB1 CYS 24 -14.192 53.616 2.885 218 H GLY 25 HN GLY 25 -15.009 51.286 -0.729 219 HA2 GLY 25 HA2 GLY 25 -12.373 51.493 -1.282 220 HA3 GLY 25 HA1 GLY 25 -13.576 51.268 -2.533 221 HA PRO 26 HA PRO 26 -12.703 55.315 -4.175 222 HB2 PRO 26 HB2 PRO 26 -15.511 56.212 -3.944 223 HB3 PRO 26 HB1 PRO 26 -14.526 55.974 -5.391 224 HG2 PRO 26 HG2 PRO 26 -16.537 54.305 -4.764 225 HG3 PRO 26 HG1 PRO 26 -15.052 53.729 -5.546 226 HD2 PRO 26 HD2 PRO 26 -15.868 53.560 -2.664 227 HD3 PRO 26 HD1 PRO 26 -15.075 52.339 -3.684 228 H GLY 27 HN GLY 27 -11.520 56.002 -2.319 229 HA2 GLY 27 HA2 GLY 27 -11.430 58.310 -1.348 230 HA3 GLY 27 HA1 GLY 27 -12.982 57.935 -0.612 231 H VAL 28 HN VAL 28 -12.031 55.114 -0.136 232 HA VAL 28 HA VAL 28 -10.018 55.586 1.960 233 HB VAL 28 HB VAL 28 -12.477 53.886 2.424 234 HG11 VAL 28 HG11 VAL 28 -10.300 54.803 4.309 235 HG12 VAL 28 HG12 VAL 28 -10.525 53.168 3.687 236 HG13 VAL 28 HG13 VAL 28 -11.728 53.875 4.766 237 HG21 VAL 28 HG21 VAL 28 -11.917 56.666 3.482 238 HG22 VAL 28 HG22 VAL 28 -13.260 55.632 3.967 239 HG23 VAL 28 HG23 VAL 28 -13.162 56.229 2.311 240 H PHE 29 HN PHE 29 -8.420 54.495 0.903 241 HA PHE 29 HA PHE 29 -8.697 51.979 -0.339 242 HB2 PHE 29 HB2 PHE 29 -6.296 51.872 -0.342 243 HB3 PHE 29 HB1 PHE 29 -6.738 53.555 -0.613 244 HD1 PHE 29 HD2 PHE 29 -6.739 55.104 1.458 245 HD2 PHE 29 HD1 PHE 29 -4.786 51.319 1.348 246 HE1 PHE 29 HE2 PHE 29 -5.331 55.775 3.358 247 HE2 PHE 29 HE1 PHE 29 -3.377 51.988 3.249 248 HZ PHE 29 HZ PHE 29 -3.650 54.219 4.258 249 H LEU 30 HN LEU 30 -7.805 49.919 0.464 250 HA LEU 30 HA LEU 30 -8.446 49.515 3.292 251 HB2 LEU 30 HB2 LEU 30 -9.389 48.040 1.467 252 HB3 LEU 30 HB1 LEU 30 -7.762 47.449 1.190 253 HG LEU 30 HG LEU 30 -7.705 46.559 3.499 254 HD11 LEU 30 HD11 LEU 30 -10.591 47.443 3.615 255 HD12 LEU 30 HD12 LEU 30 -9.257 48.119 4.550 256 HD13 LEU 30 HD13 LEU 30 -9.765 46.452 4.819 257 HD21 LEU 30 HD21 LEU 30 -10.068 45.622 1.859 258 HD22 LEU 30 HD22 LEU 30 -9.268 44.701 3.133 259 HD23 LEU 30 HD23 LEU 30 -8.392 45.106 1.657 260 H ALA 31 HN ALA 31 -6.808 49.759 4.671 261 HA ALA 31 HA ALA 31 -4.182 50.263 3.979 262 HB1 ALA 31 HB1 ALA 31 -3.648 50.043 6.352 263 HB2 ALA 31 HB2 ALA 31 -5.182 49.219 6.631 264 HB3 ALA 31 HB3 ALA 31 -5.167 50.908 6.126 265 H GLU 32 HN GLU 32 -3.321 48.760 2.599 266 HA GLU 32 HA GLU 32 -3.248 45.965 3.234 267 HB2 GLU 32 HB2 GLU 32 -3.342 46.691 0.903 268 HB3 GLU 32 HB1 GLU 32 -1.814 47.543 1.083 269 HG2 GLU 32 HG2 GLU 32 -0.650 45.445 1.449 270 HG3 GLU 32 HG1 GLU 32 -2.172 44.560 1.369 271 H HIS 33 HN HIS 33 -2.089 45.388 4.911 272 HA HIS 33 HA HIS 33 0.685 46.317 5.196 273 HB2 HIS 33 HB2 HIS 33 -1.084 44.767 7.119 274 HB3 HIS 33 HB1 HIS 33 0.590 45.218 7.429 275 HD1 HIS 33 HD1 HIS 33 1.077 47.689 7.991 276 HD2 HIS 33 HD2 HIS 33 -2.944 46.851 7.362 277 HE1 HIS 33 HE1 HIS 33 -0.169 49.705 8.818 278 HE2 HIS 33 HE2 HIS 33 -2.599 49.075 8.631 279 H ALA 34 HN ALA 34 2.282 44.621 5.746 280 HA ALA 34 HA ALA 34 2.479 42.779 3.670 281 HB1 ALA 34 HB1 ALA 34 4.434 41.909 4.826 282 HB2 ALA 34 HB2 ALA 34 3.936 42.714 6.315 283 HB3 ALA 34 HB3 ALA 34 4.401 43.670 4.907 284 H ASP 35 HN ASP 35 0.954 42.428 6.773 285 HA ASP 35 HA ASP 35 0.770 39.510 6.392 286 HB2 ASP 35 HB2 ASP 35 0.565 39.258 8.747 287 HB3 ASP 35 HB1 ASP 35 1.883 40.394 8.487 288 H ARG 36 HN ARG 36 -1.122 42.366 6.270 289 HA ARG 36 HA ARG 36 -3.550 40.949 5.917 290 HB2 ARG 36 HB2 ARG 36 -4.759 41.538 7.933 291 HB3 ARG 36 HB1 ARG 36 -3.315 40.633 8.368 292 HG2 ARG 36 HG2 ARG 36 -2.190 42.797 8.873 293 HG3 ARG 36 HG1 ARG 36 -3.731 43.611 8.594 294 HD2 ARG 36 HD2 ARG 36 -4.732 42.162 10.370 295 HD3 ARG 36 HD1 ARG 36 -3.114 41.546 10.712 296 HE ARG 36 HE ARG 36 -4.165 44.194 11.330 297 HH11 ARG 36 HH11 ARG 36 -1.337 42.131 11.163 298 HH12 ARG 36 HH12 ARG 36 -0.455 43.046 12.347 299 HH21 ARG 36 HH21 ARG 36 -2.992 45.396 12.878 300 HH22 ARG 36 HH22 ARG 36 -1.390 44.887 13.317 301 H TYR 37 HN TYR 37 -5.429 42.719 6.609 302 HA TYR 37 HA TYR 37 -4.743 45.306 5.387 303 HB2 TYR 37 HB2 TYR 37 -7.322 43.784 4.887 304 HB3 TYR 37 HB1 TYR 37 -6.833 45.302 4.155 305 HD1 TYR 37 HD1 TYR 37 -6.438 41.661 4.097 306 HD2 TYR 37 HD2 TYR 37 -5.265 45.334 2.286 307 HE1 TYR 37 HE1 TYR 37 -5.586 40.425 2.155 308 HE2 TYR 37 HE2 TYR 37 -4.402 44.101 0.342 309 HH TYR 37 HH TYR 37 -5.120 40.864 -0.251 310 H SER 38 HN SER 38 -6.247 47.026 6.068 311 HA SER 38 HA SER 38 -8.327 46.375 7.956 312 HB2 SER 38 HB2 SER 38 -6.225 46.527 9.362 313 HB3 SER 38 HB1 SER 38 -6.130 48.229 8.911 314 HG SER 38 HG SER 38 -8.082 46.897 10.459 315 H CYS 39 HN CYS 39 -9.589 48.331 8.573 316 HA CYS 39 HA CYS 39 -9.347 50.504 6.596 317 HB2 CYS 39 HB2 CYS 39 -10.986 48.989 5.693 318 HB3 CYS 39 HB1 CYS 39 -11.825 48.903 7.229 319 H GLY 40 HN GLY 40 -8.584 51.868 8.253 320 HA2 GLY 40 HA2 GLY 40 -10.020 52.456 10.616 321 HA3 GLY 40 HA1 GLY 40 -8.854 53.512 9.830 322 H ARG 41 HN ARG 41 -12.200 52.466 9.822 323 HA ARG 41 HA ARG 41 -13.318 54.990 9.406 324 HB2 ARG 41 HB2 ARG 41 -12.308 54.710 7.123 325 HB3 ARG 41 HB1 ARG 41 -13.317 53.288 6.892 326 HG2 ARG 41 HG2 ARG 41 -14.332 55.156 5.778 327 HG3 ARG 41 HG1 ARG 41 -15.326 54.721 7.169 328 HD2 ARG 41 HD2 ARG 41 -14.193 56.542 8.456 329 HD3 ARG 41 HD1 ARG 41 -13.379 57.024 6.966 330 HE ARG 41 HE ARG 41 -16.316 57.040 7.290 331 HH11 ARG 41 HH11 ARG 41 -13.359 58.498 6.105 332 HH12 ARG 41 HH12 ARG 41 -14.164 59.872 5.417 333 HH21 ARG 41 HH21 ARG 41 -17.372 58.843 6.382 334 HH22 ARG 41 HH22 ARG 41 -16.447 60.068 5.571 335 H CYS 42 HN CYS 42 -13.788 51.572 8.462 336 HA CYS 42 HA CYS 42 -16.324 51.612 9.967 337 HB2 CYS 42 HB2 CYS 42 -17.452 50.281 8.357 338 HB3 CYS 42 HB1 CYS 42 -16.667 51.558 7.443 339 H GLY 43 HN GLY 43 -13.292 50.472 9.984 340 HA2 GLY 43 HA2 GLY 43 -12.365 48.951 11.446 341 HA3 GLY 43 HA1 GLY 43 -13.985 48.453 11.906 342 H TYR 44 HN TYR 44 -13.474 48.365 8.552 343 HA TYR 44 HA TYR 44 -13.761 45.533 8.480 344 HB2 TYR 44 HB2 TYR 44 -14.613 47.103 6.698 345 HB3 TYR 44 HB1 TYR 44 -12.949 47.348 6.181 346 HD1 TYR 44 HD1 TYR 44 -15.731 44.949 6.336 347 HD2 TYR 44 HD2 TYR 44 -11.765 45.625 4.936 348 HE1 TYR 44 HE1 TYR 44 -15.910 42.972 4.888 349 HE2 TYR 44 HE2 TYR 44 -11.937 43.647 3.485 350 HH TYR 44 HH TYR 44 -13.267 41.512 3.421 351 H THR 45 HN THR 45 -12.181 44.224 9.056 352 HA THR 45 HA THR 45 -9.436 44.742 8.108 353 HB THR 45 HB THR 45 -10.307 43.509 10.743 354 HG1 THR 45 HG1 THR 45 -10.178 45.513 11.373 355 HG21 THR 45 HG21 THR 45 -7.903 43.395 11.280 356 HG22 THR 45 HG22 THR 45 -7.517 43.926 9.643 357 HG23 THR 45 HG23 THR 45 -8.311 42.372 9.903 358 H GLU 46 HN GLU 46 -8.432 43.068 7.132 359 HA GLU 46 HA GLU 46 -9.638 40.397 7.131 360 HB2 GLU 46 HB2 GLU 46 -10.638 41.607 5.206 361 HB3 GLU 46 HB1 GLU 46 -9.027 41.987 4.614 362 HG2 GLU 46 HG2 GLU 46 -9.958 40.150 3.356 363 HG3 GLU 46 HG1 GLU 46 -8.586 39.589 4.310 364 H PHE 47 HN PHE 47 -8.072 38.749 6.586 365 HA PHE 47 HA PHE 47 -5.338 39.722 7.041 366 HB2 PHE 47 HB2 PHE 47 -6.574 36.980 7.337 367 HB3 PHE 47 HB1 PHE 47 -4.848 37.284 7.507 368 HD1 PHE 47 HD2 PHE 47 -4.014 38.715 9.342 369 HD2 PHE 47 HD1 PHE 47 -8.103 37.536 9.090 370 HE1 PHE 47 HE2 PHE 47 -4.336 39.325 11.707 371 HE2 PHE 47 HE1 PHE 47 -8.426 38.151 11.451 372 HZ PHE 47 HZ PHE 47 -6.542 39.045 12.761 373 H LYS 48 HN LYS 48 -3.558 39.035 5.806 374 HA LYS 48 HA LYS 48 -3.984 38.527 3.032 375 HB2 LYS 48 HB2 LYS 48 -1.536 38.381 4.805 376 HB3 LYS 48 HB1 LYS 48 -1.467 37.928 3.110 377 HG2 LYS 48 HG2 LYS 48 -2.437 40.634 4.012 378 HG3 LYS 48 HG1 LYS 48 -0.734 40.287 3.714 379 HD2 LYS 48 HD2 LYS 48 -1.349 39.578 1.398 380 HD3 LYS 48 HD1 LYS 48 -3.004 40.099 1.722 381 HE2 LYS 48 HE2 LYS 48 -2.200 42.386 2.122 382 HE3 LYS 48 HE1 LYS 48 -0.547 41.862 1.800 383 HZ1 LYS 48 HZ1 LYS 48 -1.136 41.354 -0.450 384 HZ2 LYS 48 HZ2 LYS 48 -1.634 42.936 -0.124 385 HZ3 LYS 48 HZ3 LYS 48 -2.767 41.683 -0.163 386 H LYS 49 HN LYS 49 -5.273 36.742 2.823 387 HA LYS 49 HA LYS 49 -5.038 34.359 4.278 388 HB2 LYS 49 HB2 LYS 49 -6.271 34.747 1.540 389 HB3 LYS 49 HB1 LYS 49 -6.594 33.417 2.648 390 HG2 LYS 49 HG2 LYS 49 -7.531 35.015 4.268 391 HG3 LYS 49 HG1 LYS 49 -7.244 36.325 3.122 392 HD2 LYS 49 HD2 LYS 49 -8.747 35.190 1.508 393 HD3 LYS 49 HD1 LYS 49 -9.073 33.951 2.722 394 HE2 LYS 49 HE2 LYS 49 -9.706 36.898 2.949 395 HE3 LYS 49 HE1 LYS 49 -10.863 35.592 2.695 396 HZ1 LYS 49 HZ1 LYS 49 -10.810 36.285 5.001 397 HZ2 LYS 49 HZ2 LYS 49 -9.159 35.948 5.099 398 HZ3 LYS 49 HZ3 LYS 49 -10.264 34.693 4.853 399 H ALA 50 HN ALA 50 -3.481 32.918 4.230 400 HA ALA 50 HA ALA 50 -1.462 32.735 2.287 401 HB1 ALA 50 HB1 ALA 50 -1.184 31.907 4.573 402 HB2 ALA 50 HB2 ALA 50 -0.833 30.643 3.394 403 HB3 ALA 50 HB3 ALA 50 -2.367 30.636 4.266 404 H LYS 51 HN LYS 51 -1.456 31.846 0.322 405 HA LYS 51 HA LYS 51 -3.840 30.559 -0.668 406 HB2 LYS 51 HB2 LYS 51 -1.217 31.008 -2.116 407 HB3 LYS 51 HB1 LYS 51 -2.780 30.662 -2.842 408 HG2 LYS 51 HG2 LYS 51 -1.966 33.174 -1.387 409 HG3 LYS 51 HG1 LYS 51 -2.285 32.998 -3.111 410 HD2 LYS 51 HD2 LYS 51 -4.379 32.485 -0.998 411 HD3 LYS 51 HD1 LYS 51 -4.122 34.069 -1.721 412 HE2 LYS 51 HE2 LYS 51 -5.943 32.970 -2.848 413 HE3 LYS 51 HE1 LYS 51 -4.574 33.093 -3.947 414 HZ1 LYS 51 HZ1 LYS 51 -5.724 30.933 -4.010 415 HZ2 LYS 51 HZ2 LYS 51 -5.260 30.648 -2.409 416 HZ3 LYS 51 HZ3 LYS 51 -4.087 30.792 -3.619 417 H LYS 52 HN LYS 52 -4.034 28.554 0.250 418 HA LYS 52 HA LYS 52 -1.818 26.763 0.521 419 HB2 LYS 52 HB2 LYS 52 -4.791 26.273 0.823 420 HB3 LYS 52 HB1 LYS 52 -3.535 25.112 1.237 421 HG2 LYS 52 HG2 LYS 52 -2.643 26.713 2.898 422 HG3 LYS 52 HG1 LYS 52 -3.973 27.811 2.517 423 HD2 LYS 52 HD2 LYS 52 -5.586 26.112 3.240 424 HD3 LYS 52 HD1 LYS 52 -4.262 25.003 3.602 425 HE2 LYS 52 HE2 LYS 52 -3.411 26.601 5.279 426 HE3 LYS 52 HE1 LYS 52 -4.774 27.666 4.935 427 HZ1 LYS 52 HZ1 LYS 52 -6.271 25.931 5.685 428 HZ2 LYS 52 HZ2 LYS 52 -5.165 26.317 6.901 429 HZ3 LYS 52 HZ3 LYS 52 -4.971 24.900 6.001 430 H SER 53 HN SER 53 -1.096 26.807 -1.672 431 HA SER 53 HA SER 53 -2.658 25.233 -3.576 432 HB2 SER 53 HB2 SER 53 -0.745 25.810 -5.129 433 HB3 SER 53 HB1 SER 53 -1.617 27.209 -4.500 434 HG SER 53 HG SER 53 0.984 26.603 -4.262 435 H LYS 54 HN LYS 54 -1.970 23.209 -4.334 436 HA LYS 54 HA LYS 54 -0.515 21.559 -2.585 437 HB2 LYS 54 HB2 LYS 54 -0.554 19.900 -4.434 438 HB3 LYS 54 HB1 LYS 54 -2.131 20.607 -4.110 439 HG2 LYS 54 HG2 LYS 54 -1.884 22.084 -6.029 440 HG3 LYS 54 HG1 LYS 54 -0.279 21.426 -6.346 441 HD2 LYS 54 HD2 LYS 54 -2.755 19.706 -6.290 442 HD3 LYS 54 HD1 LYS 54 -2.206 20.522 -7.752 443 HE2 LYS 54 HE2 LYS 54 -1.381 18.288 -7.820 444 HE3 LYS 54 HE1 LYS 54 -0.012 19.344 -7.493 445 HZ1 LYS 54 HZ1 LYS 54 -0.053 17.312 -6.133 446 HZ2 LYS 54 HZ2 LYS 54 -1.491 17.826 -5.410 447 HZ3 LYS 54 HZ3 LYS 54 -0.069 18.717 -5.197 448 H SER 55 HN SER 55 0.465 23.618 -5.168 449 HA SER 55 HA SER 55 3.250 23.213 -4.448 450 HB2 SER 55 HB2 SER 55 2.882 21.693 -6.386 451 HB3 SER 55 HB1 SER 55 2.291 23.057 -7.332 452 HG SER 55 HG SER 55 4.302 23.925 -7.364 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -26.457 23.307 -28.751 2 H2 MET 1 HT2 MET 1 -25.613 24.663 -29.312 3 H3 MET 1 HT3 MET 1 -26.799 24.842 -28.123 4 HA MET 1 HA MET 1 -25.501 23.571 -26.566 5 HB2 MET 1 HB2 MET 1 -23.212 22.903 -27.111 6 HB3 MET 1 HB1 MET 1 -24.341 22.153 -28.231 7 HG2 MET 1 HG2 MET 1 -23.778 23.779 -29.938 8 HG3 MET 1 HG1 MET 1 -22.704 24.616 -28.818 9 HE1 MET 1 HE1 MET 1 -20.728 24.497 -30.593 10 HE2 MET 1 HE2 MET 1 -21.801 23.671 -31.725 11 HE3 MET 1 HE3 MET 1 -20.208 23.004 -31.374 12 H GLN 2 HN GLN 2 -24.341 24.756 -25.097 13 HA GLN 2 HA GLN 2 -22.905 27.139 -26.010 14 HB2 GLN 2 HB2 GLN 2 -23.909 28.532 -24.254 15 HB3 GLN 2 HB1 GLN 2 -25.129 27.958 -25.382 16 HG2 GLN 2 HG2 GLN 2 -25.704 26.169 -23.746 17 HG3 GLN 2 HG1 GLN 2 -24.592 26.923 -22.605 18 HE21 GLN 2 HE21 GLN 2 -27.461 26.505 -22.386 19 HE22 GLN 2 HE22 GLN 2 -28.166 28.069 -22.166 20 H LYS 3 HN LYS 3 -21.246 27.795 -24.580 21 HA LYS 3 HA LYS 3 -20.512 25.711 -22.618 22 HB2 LYS 3 HB2 LYS 3 -18.142 26.092 -23.307 23 HB3 LYS 3 HB1 LYS 3 -19.151 25.405 -24.574 24 HG2 LYS 3 HG2 LYS 3 -19.384 27.670 -25.561 25 HG3 LYS 3 HG1 LYS 3 -18.271 28.282 -24.336 26 HD2 LYS 3 HD2 LYS 3 -16.509 26.828 -25.165 27 HD3 LYS 3 HD1 LYS 3 -17.619 26.110 -26.333 28 HE2 LYS 3 HE2 LYS 3 -17.871 28.326 -27.406 29 HE3 LYS 3 HE1 LYS 3 -16.694 28.986 -26.271 30 HZ1 LYS 3 HZ1 LYS 3 -16.175 26.816 -28.230 31 HZ2 LYS 3 HZ2 LYS 3 -15.046 27.457 -27.148 32 HZ3 LYS 3 HZ3 LYS 3 -15.675 28.423 -28.382 33 H ARG 4 HN ARG 4 -19.519 26.345 -20.747 34 HA ARG 4 HA ARG 4 -19.916 29.077 -19.926 35 HB2 ARG 4 HB2 ARG 4 -18.563 26.803 -18.441 36 HB3 ARG 4 HB1 ARG 4 -19.124 28.318 -17.742 37 HG2 ARG 4 HG2 ARG 4 -21.433 27.722 -18.268 38 HG3 ARG 4 HG1 ARG 4 -20.886 26.214 -19.001 39 HD2 ARG 4 HD2 ARG 4 -20.582 27.014 -16.104 40 HD3 ARG 4 HD1 ARG 4 -21.717 25.827 -16.745 41 HE ARG 4 HE ARG 4 -18.778 25.500 -16.795 42 HH11 ARG 4 HH11 ARG 4 -22.000 24.129 -16.513 43 HH12 ARG 4 HH12 ARG 4 -21.408 22.530 -16.188 44 HH21 ARG 4 HH21 ARG 4 -18.031 23.407 -16.333 45 HH22 ARG 4 HH22 ARG 4 -19.176 22.123 -16.067 46 H GLU 5 HN GLU 5 -18.539 30.327 -21.159 47 HA GLU 5 HA GLU 5 -15.700 30.196 -20.531 48 HB2 GLU 5 HB2 GLU 5 -15.967 28.768 -22.534 49 HB3 GLU 5 HB1 GLU 5 -16.744 30.100 -23.378 50 HG2 GLU 5 HG2 GLU 5 -14.696 31.384 -23.327 51 HG3 GLU 5 HG1 GLU 5 -13.905 30.140 -22.358 52 H LEU 6 HN LEU 6 -15.948 32.135 -19.486 53 HA LEU 6 HA LEU 6 -16.600 34.473 -21.172 54 HB2 LEU 6 HB2 LEU 6 -17.002 34.180 -18.184 55 HB3 LEU 6 HB1 LEU 6 -17.367 35.610 -19.131 56 HG LEU 6 HG LEU 6 -18.754 32.934 -19.405 57 HD11 LEU 6 HD11 LEU 6 -20.685 34.072 -18.417 58 HD12 LEU 6 HD12 LEU 6 -19.711 35.524 -18.180 59 HD13 LEU 6 HD13 LEU 6 -19.314 34.042 -17.308 60 HD21 LEU 6 HD21 LEU 6 -19.326 35.588 -20.735 61 HD22 LEU 6 HD22 LEU 6 -20.315 34.134 -20.867 62 HD23 LEU 6 HD23 LEU 6 -18.680 34.148 -21.524 63 H TYR 7 HN TYR 7 -14.716 35.375 -21.712 64 HA TYR 7 HA TYR 7 -12.340 35.156 -20.140 65 HB2 TYR 7 HB2 TYR 7 -12.955 36.905 -22.538 66 HB3 TYR 7 HB1 TYR 7 -11.354 36.669 -21.842 67 HD1 TYR 7 HD2 TYR 7 -10.168 34.548 -22.123 68 HD2 TYR 7 HD1 TYR 7 -14.022 35.140 -23.839 69 HE1 TYR 7 HE2 TYR 7 -9.838 32.568 -23.539 70 HE2 TYR 7 HE1 TYR 7 -13.697 33.159 -25.258 71 HH TYR 7 HH TYR 7 -11.834 31.840 -26.174 72 H GLU 8 HN GLU 8 -12.773 36.032 -18.149 73 HA GLU 8 HA GLU 8 -13.841 38.687 -17.840 74 HB2 GLU 8 HB2 GLU 8 -13.571 38.277 -15.444 75 HB3 GLU 8 HB1 GLU 8 -14.373 36.927 -16.233 76 HG2 GLU 8 HG2 GLU 8 -12.109 35.796 -16.317 77 HG3 GLU 8 HG1 GLU 8 -11.536 37.070 -15.241 78 H ILE 9 HN ILE 9 -12.607 40.094 -16.121 79 HA ILE 9 HA ILE 9 -9.757 40.294 -16.836 80 HB ILE 9 HB ILE 9 -11.728 42.605 -16.889 81 HG12 ILE 9 HG12 ILE 9 -10.174 41.328 -19.163 82 HG13 ILE 9 HG11 ILE 9 -11.897 41.112 -18.865 83 HG21 ILE 9 HG21 ILE 9 -8.756 42.578 -17.437 84 HG22 ILE 9 HG22 ILE 9 -9.552 43.304 -16.040 85 HG23 ILE 9 HG23 ILE 9 -9.827 43.963 -17.653 86 HD11 ILE 9 HD11 ILE 9 -10.531 43.703 -19.561 87 HD12 ILE 9 HD12 ILE 9 -12.257 43.494 -19.257 88 HD13 ILE 9 HD13 ILE 9 -11.503 42.707 -20.643 89 H ALA 10 HN ALA 10 -8.974 39.785 -14.829 90 HA ALA 10 HA ALA 10 -9.561 41.662 -12.650 91 HB1 ALA 10 HB1 ALA 10 -11.002 39.701 -12.278 92 HB2 ALA 10 HB2 ALA 10 -9.779 39.859 -11.017 93 HB3 ALA 10 HB3 ALA 10 -9.579 38.658 -12.293 94 H ASP 11 HN ASP 11 -7.292 40.433 -14.590 95 HA ASP 11 HA ASP 11 -5.224 39.883 -12.603 96 HB2 ASP 11 HB2 ASP 11 -3.839 39.242 -14.498 97 HB3 ASP 11 HB1 ASP 11 -5.420 38.481 -14.655 98 H GLY 12 HN GLY 12 -2.979 40.878 -13.969 99 HA2 GLY 12 HA2 GLY 12 -1.883 42.795 -14.698 100 HA3 GLY 12 HA1 GLY 12 -3.385 43.689 -14.562 101 H LYS 13 HN LYS 13 -4.028 43.245 -11.899 102 HA LYS 13 HA LYS 13 -2.212 45.145 -10.683 103 HB2 LYS 13 HB2 LYS 13 -4.723 43.867 -9.571 104 HB3 LYS 13 HB1 LYS 13 -3.874 45.244 -8.879 105 HG2 LYS 13 HG2 LYS 13 -4.380 46.555 -10.904 106 HG3 LYS 13 HG1 LYS 13 -5.259 45.172 -11.561 107 HD2 LYS 13 HD2 LYS 13 -6.774 45.269 -9.579 108 HD3 LYS 13 HD1 LYS 13 -5.948 46.743 -9.070 109 HE2 LYS 13 HE2 LYS 13 -8.001 47.287 -10.252 110 HE3 LYS 13 HE1 LYS 13 -6.602 47.825 -11.179 111 HZ1 LYS 13 HZ1 LYS 13 -6.818 45.874 -12.578 112 HZ2 LYS 13 HZ2 LYS 13 -8.262 46.754 -12.579 113 HZ3 LYS 13 HZ3 LYS 13 -8.140 45.333 -11.674 114 H LEU 14 HN LEU 14 -0.986 42.614 -11.083 115 HA LEU 14 HA LEU 14 -0.972 41.206 -8.560 116 HB2 LEU 14 HB2 LEU 14 0.776 40.912 -11.009 117 HB3 LEU 14 HB1 LEU 14 0.821 39.850 -9.612 118 HG LEU 14 HG LEU 14 -1.562 40.217 -11.445 119 HD11 LEU 14 HD11 LEU 14 0.275 39.028 -12.538 120 HD12 LEU 14 HD12 LEU 14 -1.071 37.943 -12.195 121 HD13 LEU 14 HD13 LEU 14 0.369 37.908 -11.177 122 HD21 LEU 14 HD21 LEU 14 -2.233 39.699 -9.151 123 HD22 LEU 14 HD22 LEU 14 -1.125 38.327 -9.121 124 HD23 LEU 14 HD23 LEU 14 -2.513 38.318 -10.210 125 H VAL 15 HN VAL 15 1.025 43.534 -10.254 126 HA VAL 15 HA VAL 15 3.262 43.513 -8.550 127 HB VAL 15 HB VAL 15 3.318 44.594 -10.740 128 HG11 VAL 15 HG11 VAL 15 2.234 46.764 -11.137 129 HG12 VAL 15 HG12 VAL 15 1.456 46.662 -9.557 130 HG13 VAL 15 HG13 VAL 15 1.051 45.495 -10.815 131 HG21 VAL 15 HG21 VAL 15 4.488 46.664 -10.126 132 HG22 VAL 15 HG22 VAL 15 4.943 45.325 -9.072 133 HG23 VAL 15 HG23 VAL 15 3.820 46.558 -8.496 134 H ARG 16 HN ARG 16 0.131 45.038 -8.287 135 HA ARG 16 HA ARG 16 0.556 45.630 -5.507 136 HB2 ARG 16 HB2 ARG 16 1.571 47.610 -6.613 137 HB3 ARG 16 HB1 ARG 16 0.044 47.925 -7.425 138 HG2 ARG 16 HG2 ARG 16 -1.040 48.429 -5.354 139 HG3 ARG 16 HG1 ARG 16 0.354 47.868 -4.426 140 HD2 ARG 16 HD2 ARG 16 0.290 50.254 -6.281 141 HD3 ARG 16 HD1 ARG 16 0.293 50.308 -4.518 142 HE ARG 16 HE ARG 16 2.531 48.992 -4.884 143 HH11 ARG 16 HH11 ARG 16 1.339 51.698 -6.771 144 HH12 ARG 16 HH12 ARG 16 2.928 52.270 -7.173 145 HH21 ARG 16 HH21 ARG 16 4.625 49.752 -5.439 146 HH22 ARG 16 HH22 ARG 16 4.776 51.178 -6.422 147 H LYS 17 HN LYS 17 -1.241 44.827 -4.671 148 HA LYS 17 HA LYS 17 -3.608 44.469 -6.248 149 HB2 LYS 17 HB2 LYS 17 -3.036 43.907 -3.327 150 HB3 LYS 17 HB1 LYS 17 -4.567 43.535 -4.105 151 HG2 LYS 17 HG2 LYS 17 -3.287 41.529 -4.012 152 HG3 LYS 17 HG1 LYS 17 -3.334 42.058 -5.694 153 HD2 LYS 17 HD2 LYS 17 -1.077 43.006 -5.456 154 HD3 LYS 17 HD1 LYS 17 -1.035 42.489 -3.770 155 HE2 LYS 17 HE2 LYS 17 -1.230 40.148 -4.494 156 HE3 LYS 17 HE1 LYS 17 -1.259 40.676 -6.176 157 HZ1 LYS 17 HZ1 LYS 17 0.959 41.596 -5.881 158 HZ2 LYS 17 HZ2 LYS 17 0.943 39.944 -5.531 159 HZ3 LYS 17 HZ3 LYS 17 0.988 41.075 -4.274 160 H HIS 18 HN HIS 18 -4.498 46.421 -6.768 161 HA HIS 18 HA HIS 18 -5.160 48.319 -4.663 162 HB2 HIS 18 HB2 HIS 18 -5.447 48.374 -7.663 163 HB3 HIS 18 HB1 HIS 18 -6.254 49.565 -6.649 164 HD1 HIS 18 HD1 HIS 18 -4.638 51.088 -5.152 165 HD2 HIS 18 HD2 HIS 18 -2.800 48.903 -8.176 166 HE1 HIS 18 HE1 HIS 18 -2.389 52.155 -5.483 167 HE2 HIS 18 HE2 HIS 18 -1.379 50.936 -7.439 168 H ARG 19 HN ARG 19 -6.415 46.243 -3.856 169 HA ARG 19 HA ARG 19 -9.160 46.290 -4.873 170 HB2 ARG 19 HB2 ARG 19 -7.865 44.557 -2.748 171 HB3 ARG 19 HB1 ARG 19 -9.551 44.447 -3.241 172 HG2 ARG 19 HG2 ARG 19 -8.746 43.940 -5.566 173 HG3 ARG 19 HG1 ARG 19 -7.112 43.837 -4.907 174 HD2 ARG 19 HD2 ARG 19 -7.811 42.030 -3.420 175 HD3 ARG 19 HD1 ARG 19 -9.465 42.158 -4.013 176 HE ARG 19 HE ARG 19 -7.186 40.973 -5.385 177 HH11 ARG 19 HH11 ARG 19 -10.504 42.074 -5.625 178 HH12 ARG 19 HH12 ARG 19 -10.892 41.013 -6.944 179 HH21 ARG 19 HH21 ARG 19 -7.692 39.583 -7.128 180 HH22 ARG 19 HH22 ARG 19 -9.295 39.599 -7.799 181 H PHE 20 HN PHE 20 -10.099 48.115 -4.207 182 HA PHE 20 HA PHE 20 -9.517 49.368 -1.703 183 HB2 PHE 20 HB2 PHE 20 -11.721 49.937 -3.712 184 HB3 PHE 20 HB1 PHE 20 -11.265 50.986 -2.373 185 HD1 PHE 20 HD1 PHE 20 -10.149 49.591 -5.604 186 HD2 PHE 20 HD2 PHE 20 -9.377 52.448 -2.540 187 HE1 PHE 20 HE1 PHE 20 -8.479 50.681 -7.044 188 HE2 PHE 20 HE2 PHE 20 -7.706 53.541 -3.978 189 HZ PHE 20 HZ PHE 20 -7.257 52.659 -6.235 190 H CYS 21 HN CYS 21 -11.316 49.977 -0.171 191 HA CYS 21 HA CYS 21 -12.541 47.583 0.800 192 HB2 CYS 21 HB2 CYS 21 -11.713 49.397 2.271 193 HB3 CYS 21 HB1 CYS 21 -12.970 50.457 1.651 194 HA PRO 22 HA PRO 22 -15.986 47.427 -1.928 195 HB2 PRO 22 HB2 PRO 22 -17.525 46.556 0.473 196 HB3 PRO 22 HB1 PRO 22 -17.396 45.795 -1.115 197 HG2 PRO 22 HG2 PRO 22 -16.077 44.889 1.061 198 HG3 PRO 22 HG1 PRO 22 -15.439 44.716 -0.579 199 HD2 PRO 22 HD2 PRO 22 -14.532 46.458 1.616 200 HD3 PRO 22 HD1 PRO 22 -13.658 45.918 0.171 201 H ARG 23 HN ARG 23 -16.736 48.681 1.325 202 HA ARG 23 HA ARG 23 -18.942 50.227 0.260 203 HB2 ARG 23 HB2 ARG 23 -17.902 50.031 3.088 204 HB3 ARG 23 HB1 ARG 23 -19.389 50.828 2.598 205 HG2 ARG 23 HG2 ARG 23 -18.812 47.888 2.256 206 HG3 ARG 23 HG1 ARG 23 -19.763 48.595 3.562 207 HD2 ARG 23 HD2 ARG 23 -21.376 49.453 1.925 208 HD3 ARG 23 HD1 ARG 23 -20.419 48.761 0.615 209 HE ARG 23 HE ARG 23 -21.205 46.662 1.153 210 HH11 ARG 23 HH11 ARG 23 -22.219 48.975 3.595 211 HH12 ARG 23 HH12 ARG 23 -23.319 47.868 4.358 212 HH21 ARG 23 HH21 ARG 23 -22.670 45.227 2.140 213 HH22 ARG 23 HH22 ARG 23 -23.575 45.737 3.532 214 H CYS 24 HN CYS 24 -15.801 50.882 1.795 215 HA CYS 24 HA CYS 24 -16.232 53.760 1.665 216 HB2 CYS 24 HB2 CYS 24 -13.651 52.433 2.466 217 HB3 CYS 24 HB1 CYS 24 -14.260 54.013 2.936 218 H GLY 25 HN GLY 25 -15.377 51.600 -0.599 219 HA2 GLY 25 HA2 GLY 25 -12.914 51.956 -1.614 220 HA3 GLY 25 HA1 GLY 25 -14.318 51.765 -2.640 221 HA PRO 26 HA PRO 26 -13.947 55.895 -4.225 222 HB2 PRO 26 HB2 PRO 26 -16.550 56.781 -3.107 223 HB3 PRO 26 HB1 PRO 26 -16.022 56.690 -4.791 224 HG2 PRO 26 HG2 PRO 26 -17.791 54.939 -3.807 225 HG3 PRO 26 HG1 PRO 26 -16.554 54.435 -4.976 226 HD2 PRO 26 HD2 PRO 26 -16.604 54.072 -1.995 227 HD3 PRO 26 HD1 PRO 26 -16.119 52.921 -3.260 228 H GLY 27 HN GLY 27 -12.252 56.258 -2.567 229 HA2 GLY 27 HA2 GLY 27 -11.668 58.534 -1.690 230 HA3 GLY 27 HA1 GLY 27 -13.069 58.355 -0.646 231 H VAL 28 HN VAL 28 -12.362 55.410 -0.307 232 HA VAL 28 HA VAL 28 -10.015 55.731 1.455 233 HB VAL 28 HB VAL 28 -12.533 54.258 2.267 234 HG11 VAL 28 HG11 VAL 28 -11.452 54.101 4.474 235 HG12 VAL 28 HG12 VAL 28 -10.008 54.871 3.813 236 HG13 VAL 28 HG13 VAL 28 -10.511 53.289 3.221 237 HG21 VAL 28 HG21 VAL 28 -11.489 56.929 3.235 238 HG22 VAL 28 HG22 VAL 28 -12.863 56.058 3.917 239 HG23 VAL 28 HG23 VAL 28 -12.939 56.668 2.264 240 H PHE 29 HN PHE 29 -8.555 54.438 0.580 241 HA PHE 29 HA PHE 29 -9.123 52.029 -0.821 242 HB2 PHE 29 HB2 PHE 29 -6.680 51.730 -0.864 243 HB3 PHE 29 HB1 PHE 29 -7.121 53.376 -1.300 244 HD1 PHE 29 HD1 PHE 29 -6.890 55.198 0.465 245 HD2 PHE 29 HD2 PHE 29 -5.211 51.307 0.925 246 HE1 PHE 29 HE1 PHE 29 -5.367 56.055 2.196 247 HE2 PHE 29 HE2 PHE 29 -3.689 52.166 2.651 248 HZ PHE 29 HZ PHE 29 -3.768 54.543 3.289 249 H LEU 30 HN LEU 30 -7.440 50.126 0.006 250 HA LEU 30 HA LEU 30 -8.355 49.440 2.725 251 HB2 LEU 30 HB2 LEU 30 -9.133 47.959 0.857 252 HB3 LEU 30 HB1 LEU 30 -7.456 47.573 0.516 253 HG LEU 30 HG LEU 30 -7.245 46.557 2.767 254 HD11 LEU 30 HD11 LEU 30 -10.211 47.103 2.981 255 HD12 LEU 30 HD12 LEU 30 -8.938 47.856 3.943 256 HD13 LEU 30 HD13 LEU 30 -9.256 46.130 4.101 257 HD21 LEU 30 HD21 LEU 30 -8.587 44.558 2.293 258 HD22 LEU 30 HD22 LEU 30 -7.792 45.161 0.840 259 HD23 LEU 30 HD23 LEU 30 -9.512 45.461 1.092 260 H ALA 31 HN ALA 31 -6.803 49.675 4.205 261 HA ALA 31 HA ALA 31 -4.113 50.224 3.557 262 HB1 ALA 31 HB1 ALA 31 -5.296 49.472 6.235 263 HB2 ALA 31 HB2 ALA 31 -5.187 51.102 5.572 264 HB3 ALA 31 HB3 ALA 31 -3.716 50.216 5.970 265 H GLU 32 HN GLU 32 -2.702 48.806 2.818 266 HA GLU 32 HA GLU 32 -2.977 45.976 3.443 267 HB2 GLU 32 HB2 GLU 32 -2.608 46.563 1.115 268 HB3 GLU 32 HB1 GLU 32 -1.145 47.446 1.534 269 HG2 GLU 32 HG2 GLU 32 -0.102 45.347 2.274 270 HG3 GLU 32 HG1 GLU 32 -1.563 44.471 1.814 271 H HIS 33 HN HIS 33 -2.007 45.198 5.164 272 HA HIS 33 HA HIS 33 0.629 46.264 5.959 273 HB2 HIS 33 HB2 HIS 33 -1.378 44.734 7.653 274 HB3 HIS 33 HB1 HIS 33 0.168 45.369 8.205 275 HD1 HIS 33 HD1 HIS 33 0.238 47.797 8.921 276 HD2 HIS 33 HD2 HIS 33 -3.371 46.728 7.157 277 HE1 HIS 33 HE1 HIS 33 -1.309 49.738 9.321 278 HE2 HIS 33 HE2 HIS 33 -3.527 49.000 8.383 279 H ALA 34 HN ALA 34 2.226 44.682 6.581 280 HA ALA 34 HA ALA 34 2.571 42.663 4.714 281 HB1 ALA 34 HB1 ALA 34 4.406 43.666 5.990 282 HB2 ALA 34 HB2 ALA 34 4.443 41.906 6.088 283 HB3 ALA 34 HB3 ALA 34 3.839 42.852 7.448 284 H ASP 35 HN ASP 35 1.006 42.543 7.836 285 HA ASP 35 HA ASP 35 0.867 39.633 7.825 286 HB2 ASP 35 HB2 ASP 35 -0.187 41.679 9.793 287 HB3 ASP 35 HB1 ASP 35 -0.356 39.939 9.990 288 H ARG 36 HN ARG 36 -1.222 42.372 7.132 289 HA ARG 36 HA ARG 36 -3.370 40.741 6.191 290 HB2 ARG 36 HB2 ARG 36 -5.011 41.268 7.946 291 HB3 ARG 36 HB1 ARG 36 -3.655 40.360 8.608 292 HG2 ARG 36 HG2 ARG 36 -2.678 42.462 9.430 293 HG3 ARG 36 HG1 ARG 36 -4.080 43.340 8.820 294 HD2 ARG 36 HD2 ARG 36 -4.442 43.007 11.143 295 HD3 ARG 36 HD1 ARG 36 -5.503 41.879 10.299 296 HE ARG 36 HE ARG 36 -3.219 40.447 10.813 297 HH11 ARG 36 HH11 ARG 36 -5.531 42.218 12.772 298 HH12 ARG 36 HH12 ARG 36 -5.322 41.200 14.160 299 HH21 ARG 36 HH21 ARG 36 -2.926 39.129 12.661 300 HH22 ARG 36 HH22 ARG 36 -3.835 39.463 14.105 301 H TYR 37 HN TYR 37 -5.360 42.080 5.784 302 HA TYR 37 HA TYR 37 -4.677 44.834 5.044 303 HB2 TYR 37 HB2 TYR 37 -7.121 43.172 4.353 304 HB3 TYR 37 HB1 TYR 37 -6.755 44.775 3.725 305 HD1 TYR 37 HD2 TYR 37 -4.676 45.053 2.280 306 HD2 TYR 37 HD1 TYR 37 -6.296 41.244 3.280 307 HE1 TYR 37 HE2 TYR 37 -3.464 44.046 0.394 308 HE2 TYR 37 HE1 TYR 37 -5.087 40.228 1.396 309 HH TYR 37 HH TYR 37 -4.134 41.040 -0.838 310 H SER 38 HN SER 38 -6.081 46.572 5.677 311 HA SER 38 HA SER 38 -8.174 46.045 7.608 312 HB2 SER 38 HB2 SER 38 -6.078 46.115 8.970 313 HB3 SER 38 HB1 SER 38 -5.808 47.764 8.406 314 HG SER 38 HG SER 38 -6.865 47.908 10.345 315 H CYS 39 HN CYS 39 -9.319 48.041 8.214 316 HA CYS 39 HA CYS 39 -8.961 50.260 6.325 317 HB2 CYS 39 HB2 CYS 39 -10.626 48.885 5.271 318 HB3 CYS 39 HB1 CYS 39 -11.525 48.733 6.774 319 H GLY 40 HN GLY 40 -8.209 51.512 8.041 320 HA2 GLY 40 HA2 GLY 40 -9.615 51.958 10.453 321 HA3 GLY 40 HA1 GLY 40 -8.417 53.033 9.740 322 H ARG 41 HN ARG 41 -11.800 52.064 9.549 323 HA ARG 41 HA ARG 41 -12.793 54.696 9.459 324 HB2 ARG 41 HB2 ARG 41 -11.839 54.425 7.092 325 HB3 ARG 41 HB1 ARG 41 -13.108 53.239 6.821 326 HG2 ARG 41 HG2 ARG 41 -13.836 55.329 5.930 327 HG3 ARG 41 HG1 ARG 41 -14.787 54.994 7.378 328 HD2 ARG 41 HD2 ARG 41 -13.184 56.466 8.650 329 HD3 ARG 41 HD1 ARG 41 -12.471 56.910 7.098 330 HE ARG 41 HE ARG 41 -15.342 57.302 7.373 331 HH11 ARG 41 HH11 ARG 41 -12.143 58.748 7.416 332 HH12 ARG 41 HH12 ARG 41 -12.744 60.373 7.334 333 HH21 ARG 41 HH21 ARG 41 -16.126 59.435 7.260 334 HH22 ARG 41 HH22 ARG 41 -15.012 60.763 7.254 335 H CYS 42 HN CYS 42 -13.547 51.446 8.157 336 HA CYS 42 HA CYS 42 -16.036 51.500 9.749 337 HB2 CYS 42 HB2 CYS 42 -17.040 49.951 8.188 338 HB3 CYS 42 HB1 CYS 42 -16.418 51.329 7.293 339 H GLY 43 HN GLY 43 -12.974 50.163 9.580 340 HA2 GLY 43 HA2 GLY 43 -12.029 48.689 11.098 341 HA3 GLY 43 HA1 GLY 43 -13.636 48.265 11.662 342 H TYR 44 HN TYR 44 -13.093 48.113 8.257 343 HA TYR 44 HA TYR 44 -13.441 45.279 8.196 344 HB2 TYR 44 HB2 TYR 44 -14.205 46.746 6.331 345 HB3 TYR 44 HB1 TYR 44 -12.527 47.116 5.951 346 HD1 TYR 44 HD1 TYR 44 -15.160 44.552 5.799 347 HD2 TYR 44 HD2 TYR 44 -11.104 45.448 4.847 348 HE1 TYR 44 HE1 TYR 44 -15.072 42.582 4.331 349 HE2 TYR 44 HE2 TYR 44 -11.011 43.478 3.378 350 HH TYR 44 HH TYR 44 -12.159 41.318 3.106 351 H THR 45 HN THR 45 -11.884 44.089 9.068 352 HA THR 45 HA THR 45 -9.108 44.520 8.177 353 HB THR 45 HB THR 45 -9.967 43.749 10.985 354 HG1 THR 45 HG1 THR 45 -8.553 46.102 10.430 355 HG21 THR 45 HG21 THR 45 -7.223 44.323 9.839 356 HG22 THR 45 HG22 THR 45 -7.822 42.742 10.341 357 HG23 THR 45 HG23 THR 45 -7.583 44.015 11.538 358 H GLU 46 HN GLU 46 -8.481 42.803 7.065 359 HA GLU 46 HA GLU 46 -9.438 40.130 7.825 360 HB2 GLU 46 HB2 GLU 46 -10.886 40.990 6.020 361 HB3 GLU 46 HB1 GLU 46 -9.471 41.279 5.019 362 HG2 GLU 46 HG2 GLU 46 -9.063 38.964 4.761 363 HG3 GLU 46 HG1 GLU 46 -10.208 38.549 6.038 364 H PHE 47 HN PHE 47 -7.951 38.513 7.521 365 HA PHE 47 HA PHE 47 -5.236 39.271 7.565 366 HB2 PHE 47 HB2 PHE 47 -6.533 36.554 7.285 367 HB3 PHE 47 HB1 PHE 47 -4.801 36.791 7.489 368 HD1 PHE 47 HD1 PHE 47 -3.908 37.693 9.579 369 HD2 PHE 47 HD2 PHE 47 -8.045 36.791 9.133 370 HE1 PHE 47 HE1 PHE 47 -4.182 37.749 12.026 371 HE2 PHE 47 HE2 PHE 47 -8.328 36.845 11.577 372 HZ PHE 47 HZ PHE 47 -6.394 37.329 13.027 373 H LYS 48 HN LYS 48 -3.515 38.664 6.134 374 HA LYS 48 HA LYS 48 -3.881 39.111 3.413 375 HB2 LYS 48 HB2 LYS 48 -1.724 37.898 5.066 376 HB3 LYS 48 HB1 LYS 48 -1.672 37.544 3.345 377 HG2 LYS 48 HG2 LYS 48 -1.800 40.337 4.484 378 HG3 LYS 48 HG1 LYS 48 -0.304 39.508 4.044 379 HD2 LYS 48 HD2 LYS 48 -1.116 39.287 1.731 380 HD3 LYS 48 HD1 LYS 48 -2.599 40.135 2.173 381 HE2 LYS 48 HE2 LYS 48 -1.350 42.149 2.661 382 HE3 LYS 48 HE1 LYS 48 0.178 41.309 2.392 383 HZ1 LYS 48 HZ1 LYS 48 -0.363 41.047 0.088 384 HZ2 LYS 48 HZ2 LYS 48 -0.549 42.679 0.484 385 HZ3 LYS 48 HZ3 LYS 48 -1.907 41.689 0.312 386 H LYS 49 HN LYS 49 -5.501 38.054 2.463 387 HA LYS 49 HA LYS 49 -5.318 35.125 2.194 388 HB2 LYS 49 HB2 LYS 49 -7.114 35.907 3.799 389 HB3 LYS 49 HB1 LYS 49 -7.881 36.730 2.449 390 HG2 LYS 49 HG2 LYS 49 -8.226 34.591 1.324 391 HG3 LYS 49 HG1 LYS 49 -7.414 33.755 2.650 392 HD2 LYS 49 HD2 LYS 49 -9.143 34.535 4.204 393 HD3 LYS 49 HD1 LYS 49 -9.950 35.384 2.884 394 HE2 LYS 49 HE2 LYS 49 -10.356 33.257 1.754 395 HE3 LYS 49 HE1 LYS 49 -9.511 32.399 3.043 396 HZ1 LYS 49 HZ1 LYS 49 -11.989 33.999 3.387 397 HZ2 LYS 49 HZ2 LYS 49 -11.189 33.137 4.600 398 HZ3 LYS 49 HZ3 LYS 49 -11.915 32.309 3.317 399 H ALA 50 HN ALA 50 -4.268 37.189 0.521 400 HA ALA 50 HA ALA 50 -6.043 37.781 -1.641 401 HB1 ALA 50 HB1 ALA 50 -4.061 38.727 -2.728 402 HB2 ALA 50 HB2 ALA 50 -3.034 38.016 -1.481 403 HB3 ALA 50 HB3 ALA 50 -4.195 39.275 -1.058 404 H LYS 51 HN LYS 51 -6.316 36.750 -3.538 405 HA LYS 51 HA LYS 51 -4.943 34.188 -3.907 406 HB2 LYS 51 HB2 LYS 51 -7.378 35.306 -5.324 407 HB3 LYS 51 HB1 LYS 51 -6.707 33.697 -5.560 408 HG2 LYS 51 HG2 LYS 51 -7.987 34.781 -3.053 409 HG3 LYS 51 HG1 LYS 51 -8.643 33.559 -4.140 410 HD2 LYS 51 HD2 LYS 51 -6.159 33.282 -2.436 411 HD3 LYS 51 HD1 LYS 51 -7.726 32.535 -2.124 412 HE2 LYS 51 HE2 LYS 51 -7.538 31.219 -4.160 413 HE3 LYS 51 HE1 LYS 51 -6.013 32.011 -4.559 414 HZ1 LYS 51 HZ1 LYS 51 -6.502 30.312 -2.173 415 HZ2 LYS 51 HZ2 LYS 51 -5.036 31.057 -2.573 416 HZ3 LYS 51 HZ3 LYS 51 -5.664 29.840 -3.565 417 H LYS 52 HN LYS 52 -4.026 33.638 -5.907 418 HA LYS 52 HA LYS 52 -2.731 35.817 -7.285 419 HB2 LYS 52 HB2 LYS 52 -1.785 33.465 -6.667 420 HB3 LYS 52 HB1 LYS 52 -2.642 32.905 -8.094 421 HG2 LYS 52 HG2 LYS 52 -0.699 35.184 -8.273 422 HG3 LYS 52 HG1 LYS 52 -0.135 33.514 -8.262 423 HD2 LYS 52 HD2 LYS 52 -1.519 33.035 -10.234 424 HD3 LYS 52 HD1 LYS 52 -2.082 34.708 -10.244 425 HE2 LYS 52 HE2 LYS 52 0.196 35.487 -10.634 426 HE3 LYS 52 HE1 LYS 52 0.792 33.830 -10.558 427 HZ1 LYS 52 HZ1 LYS 52 -0.438 33.294 -12.525 428 HZ2 LYS 52 HZ2 LYS 52 0.502 34.666 -12.841 429 HZ3 LYS 52 HZ3 LYS 52 -1.160 34.821 -12.563 430 H SER 53 HN SER 53 -2.926 36.154 -9.617 431 HA SER 53 HA SER 53 -5.559 36.383 -10.498 432 HB2 SER 53 HB2 SER 53 -4.480 36.804 -12.764 433 HB3 SER 53 HB1 SER 53 -3.896 37.814 -11.442 434 HG SER 53 HG SER 53 -2.336 36.653 -12.952 435 H LYS 54 HN LYS 54 -6.943 35.006 -11.390 436 HA LYS 54 HA LYS 54 -6.199 32.271 -11.884 437 HB2 LYS 54 HB2 LYS 54 -8.599 31.970 -12.424 438 HB3 LYS 54 HB1 LYS 54 -8.364 32.764 -10.871 439 HG2 LYS 54 HG2 LYS 54 -8.920 34.905 -11.814 440 HG3 LYS 54 HG1 LYS 54 -8.981 34.221 -13.438 441 HD2 LYS 54 HD2 LYS 54 -10.827 33.484 -11.158 442 HD3 LYS 54 HD1 LYS 54 -11.228 34.575 -12.485 443 HE2 LYS 54 HE2 LYS 54 -10.783 32.682 -14.069 444 HE3 LYS 54 HE1 LYS 54 -10.611 31.624 -12.668 445 HZ1 LYS 54 HZ1 LYS 54 -13.037 33.175 -13.385 446 HZ2 LYS 54 HZ2 LYS 54 -12.885 32.170 -12.036 447 HZ3 LYS 54 HZ3 LYS 54 -12.831 31.509 -13.591 448 H SER 55 HN SER 55 -6.674 31.161 -13.901 449 HA SER 55 HA SER 55 -6.973 32.769 -16.302 450 HB2 SER 55 HB2 SER 55 -4.989 31.658 -17.382 451 HB3 SER 55 HB1 SER 55 -4.560 32.771 -16.085 452 HG SER 55 HG SER 55 -4.880 29.983 -15.678 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 -17.116 77.831 9.673 2 H2 MET 1 HT2 MET 1 -16.269 78.118 11.108 3 H3 MET 1 HT3 MET 1 -16.388 76.545 10.499 4 HA MET 1 HA MET 1 -14.970 78.803 9.219 5 HB2 MET 1 HB2 MET 1 -13.879 76.269 10.487 6 HB3 MET 1 HB1 MET 1 -12.928 77.533 9.717 7 HG2 MET 1 HG2 MET 1 -12.813 77.720 12.127 8 HG3 MET 1 HG1 MET 1 -13.635 79.120 11.434 9 HE1 MET 1 HE1 MET 1 -14.631 79.825 13.774 10 HE2 MET 1 HE2 MET 1 -13.776 78.478 14.528 11 HE3 MET 1 HE3 MET 1 -15.495 78.723 14.846 12 H GLN 2 HN GLN 2 -15.530 78.606 7.128 13 HA GLN 2 HA GLN 2 -16.074 76.027 5.944 14 HB2 GLN 2 HB2 GLN 2 -16.629 77.318 3.921 15 HB3 GLN 2 HB1 GLN 2 -17.467 77.930 5.340 16 HG2 GLN 2 HG2 GLN 2 -15.861 79.758 5.519 17 HG3 GLN 2 HG1 GLN 2 -14.986 79.134 4.121 18 HE21 GLN 2 HE21 GLN 2 -16.249 81.727 4.499 19 HE22 GLN 2 HE22 GLN 2 -17.407 81.891 3.223 20 H LYS 3 HN LYS 3 -14.799 74.865 4.639 21 HA LYS 3 HA LYS 3 -12.408 76.060 3.439 22 HB2 LYS 3 HB2 LYS 3 -12.390 73.537 5.124 23 HB3 LYS 3 HB1 LYS 3 -11.053 74.068 4.114 24 HG2 LYS 3 HG2 LYS 3 -10.836 76.098 5.467 25 HG3 LYS 3 HG1 LYS 3 -12.176 75.559 6.482 26 HD2 LYS 3 HD2 LYS 3 -10.887 73.578 7.138 27 HD3 LYS 3 HD1 LYS 3 -9.549 74.105 6.114 28 HE2 LYS 3 HE2 LYS 3 -9.314 76.133 7.468 29 HE3 LYS 3 HE1 LYS 3 -10.653 75.609 8.490 30 HZ1 LYS 3 HZ1 LYS 3 -8.540 75.096 9.507 31 HZ2 LYS 3 HZ2 LYS 3 -8.061 74.195 8.158 32 HZ3 LYS 3 HZ3 LYS 3 -9.351 73.666 9.117 33 H ARG 4 HN ARG 4 -12.503 75.625 1.332 34 HA ARG 4 HA ARG 4 -14.223 73.520 0.342 35 HB2 ARG 4 HB2 ARG 4 -14.135 75.749 -0.755 36 HB3 ARG 4 HB1 ARG 4 -12.462 75.441 -1.206 37 HG2 ARG 4 HG2 ARG 4 -13.142 73.584 -2.606 38 HG3 ARG 4 HG1 ARG 4 -14.816 73.770 -2.086 39 HD2 ARG 4 HD2 ARG 4 -14.880 75.999 -3.119 40 HD3 ARG 4 HD1 ARG 4 -13.208 75.797 -3.646 41 HE ARG 4 HE ARG 4 -13.905 74.168 -5.196 42 HH11 ARG 4 HH11 ARG 4 -16.592 75.617 -3.476 43 HH12 ARG 4 HH12 ARG 4 -17.782 75.035 -4.595 44 HH21 ARG 4 HH21 ARG 4 -15.458 73.385 -6.650 45 HH22 ARG 4 HH22 ARG 4 -17.135 73.764 -6.412 46 H GLU 5 HN GLU 5 -11.033 73.701 1.320 47 HA GLU 5 HA GLU 5 -10.374 71.254 -0.187 48 HB2 GLU 5 HB2 GLU 5 -8.934 73.158 -0.853 49 HB3 GLU 5 HB1 GLU 5 -8.443 73.367 0.823 50 HG2 GLU 5 HG2 GLU 5 -7.424 71.131 0.795 51 HG3 GLU 5 HG1 GLU 5 -7.900 70.944 -0.892 52 H LEU 6 HN LEU 6 -11.508 70.188 1.548 53 HA LEU 6 HA LEU 6 -10.392 70.246 4.212 54 HB2 LEU 6 HB2 LEU 6 -12.504 68.494 2.938 55 HB3 LEU 6 HB1 LEU 6 -12.032 68.384 4.624 56 HG LEU 6 HG LEU 6 -13.268 70.820 3.318 57 HD11 LEU 6 HD11 LEU 6 -14.856 68.975 3.480 58 HD12 LEU 6 HD12 LEU 6 -15.265 70.259 4.615 59 HD13 LEU 6 HD13 LEU 6 -14.484 68.787 5.194 60 HD21 LEU 6 HD21 LEU 6 -13.472 71.668 5.611 61 HD22 LEU 6 HD22 LEU 6 -11.786 71.408 5.166 62 HD23 LEU 6 HD23 LEU 6 -12.608 70.252 6.213 63 H TYR 7 HN TYR 7 -8.442 69.380 4.463 64 HA TYR 7 HA TYR 7 -6.800 67.830 4.661 65 HB2 TYR 7 HB2 TYR 7 -8.992 65.843 4.003 66 HB3 TYR 7 HB1 TYR 7 -7.426 65.448 4.699 67 HD1 TYR 7 HD2 TYR 7 -6.939 65.971 7.050 68 HD2 TYR 7 HD1 TYR 7 -10.749 66.845 5.352 69 HE1 TYR 7 HE2 TYR 7 -7.877 66.257 9.303 70 HE2 TYR 7 HE1 TYR 7 -11.688 67.131 7.602 71 HH TYR 7 HH TYR 7 -11.226 66.403 9.884 72 H GLU 8 HN GLU 8 -6.044 65.615 3.387 73 HA GLU 8 HA GLU 8 -5.893 66.386 0.545 74 HB2 GLU 8 HB2 GLU 8 -3.888 64.880 2.244 75 HB3 GLU 8 HB1 GLU 8 -3.713 65.208 0.524 76 HG2 GLU 8 HG2 GLU 8 -3.578 67.569 0.923 77 HG3 GLU 8 HG1 GLU 8 -3.961 67.350 2.631 78 H ILE 9 HN ILE 9 -7.288 65.147 -0.528 79 HA ILE 9 HA ILE 9 -8.063 62.526 0.255 80 HB ILE 9 HB ILE 9 -9.139 62.420 -2.019 81 HG12 ILE 9 HG12 ILE 9 -7.998 65.225 -2.247 82 HG13 ILE 9 HG11 ILE 9 -7.602 63.847 -3.271 83 HG21 ILE 9 HG21 ILE 9 -9.761 64.848 -0.339 84 HG22 ILE 9 HG22 ILE 9 -10.356 63.211 -0.067 85 HG23 ILE 9 HG23 ILE 9 -10.851 64.100 -1.508 86 HD11 ILE 9 HD11 ILE 9 -9.908 63.836 -4.112 87 HD12 ILE 9 HD12 ILE 9 -9.089 65.370 -4.409 88 HD13 ILE 9 HD13 ILE 9 -10.266 65.238 -3.103 89 H ALA 10 HN ALA 10 -7.301 60.578 -0.336 90 HA ALA 10 HA ALA 10 -4.656 60.407 -1.378 91 HB1 ALA 10 HB1 ALA 10 -4.891 58.002 -1.053 92 HB2 ALA 10 HB2 ALA 10 -6.627 58.187 -0.805 93 HB3 ALA 10 HB3 ALA 10 -5.491 58.879 0.354 94 H ASP 11 HN ASP 11 -4.103 60.450 -3.436 95 HA ASP 11 HA ASP 11 -5.630 58.916 -5.390 96 HB2 ASP 11 HB2 ASP 11 -6.557 61.234 -5.492 97 HB3 ASP 11 HB1 ASP 11 -4.943 61.835 -5.857 98 H GLY 12 HN GLY 12 -4.396 58.353 -7.247 99 HA2 GLY 12 HA2 GLY 12 -2.282 58.581 -8.491 100 HA3 GLY 12 HA1 GLY 12 -1.481 58.776 -6.936 101 H LYS 13 HN LYS 13 -3.856 56.478 -8.240 102 HA LYS 13 HA LYS 13 -2.626 54.287 -6.842 103 HB2 LYS 13 HB2 LYS 13 -4.414 52.929 -7.936 104 HB3 LYS 13 HB1 LYS 13 -5.027 54.308 -7.031 105 HG2 LYS 13 HG2 LYS 13 -5.213 55.568 -9.162 106 HG3 LYS 13 HG1 LYS 13 -4.726 54.109 -10.026 107 HD2 LYS 13 HD2 LYS 13 -6.687 52.933 -9.247 108 HD3 LYS 13 HD1 LYS 13 -7.135 54.287 -8.207 109 HE2 LYS 13 HE2 LYS 13 -8.500 54.294 -10.213 110 HE3 LYS 13 HE1 LYS 13 -7.437 55.700 -10.202 111 HZ1 LYS 13 HZ1 LYS 13 -7.001 53.197 -11.739 112 HZ2 LYS 13 HZ2 LYS 13 -5.952 54.524 -11.721 113 HZ3 LYS 13 HZ3 LYS 13 -7.502 54.683 -12.374 114 H LEU 14 HN LEU 14 -1.755 52.411 -7.778 115 HA LEU 14 HA LEU 14 -0.787 52.673 -10.554 116 HB2 LEU 14 HB2 LEU 14 0.674 51.474 -8.184 117 HB3 LEU 14 HB1 LEU 14 1.237 51.414 -9.844 118 HG LEU 14 HG LEU 14 0.886 53.926 -8.191 119 HD11 LEU 14 HD11 LEU 14 3.389 52.512 -9.118 120 HD12 LEU 14 HD12 LEU 14 2.787 52.585 -7.461 121 HD13 LEU 14 HD13 LEU 14 3.329 54.057 -8.266 122 HD21 LEU 14 HD21 LEU 14 1.973 55.071 -10.073 123 HD22 LEU 14 HD22 LEU 14 0.435 54.353 -10.550 124 HD23 LEU 14 HD23 LEU 14 1.950 53.571 -11.000 125 H VAL 15 HN VAL 15 -0.005 50.370 -11.309 126 HA VAL 15 HA VAL 15 -2.382 48.752 -11.249 127 HB VAL 15 HB VAL 15 -1.293 47.356 -12.914 128 HG11 VAL 15 HG11 VAL 15 -2.348 49.414 -13.680 129 HG12 VAL 15 HG12 VAL 15 -0.941 49.030 -14.669 130 HG13 VAL 15 HG13 VAL 15 -0.837 50.296 -13.446 131 HG21 VAL 15 HG21 VAL 15 0.993 47.823 -13.689 132 HG22 VAL 15 HG22 VAL 15 0.966 47.316 -12.002 133 HG23 VAL 15 HG23 VAL 15 1.180 49.020 -12.405 134 H ARG 16 HN ARG 16 0.042 48.935 -9.077 135 HA ARG 16 HA ARG 16 0.613 46.180 -8.614 136 HB2 ARG 16 HB2 ARG 16 2.074 47.966 -7.738 137 HB3 ARG 16 HB1 ARG 16 0.773 48.520 -6.690 138 HG2 ARG 16 HG2 ARG 16 0.830 46.438 -5.450 139 HG3 ARG 16 HG1 ARG 16 2.047 45.785 -6.550 140 HD2 ARG 16 HD2 ARG 16 3.611 47.544 -5.847 141 HD3 ARG 16 HD1 ARG 16 2.393 48.180 -4.742 142 HE ARG 16 HE ARG 16 2.593 45.660 -3.890 143 HH11 ARG 16 HH11 ARG 16 5.098 47.972 -4.713 144 HH12 ARG 16 HH12 ARG 16 6.215 47.364 -3.531 145 HH21 ARG 16 HH21 ARG 16 4.073 44.841 -2.371 146 HH22 ARG 16 HH22 ARG 16 5.644 45.568 -2.217 147 H LYS 17 HN LYS 17 -0.725 44.702 -7.859 148 HA LYS 17 HA LYS 17 -3.406 45.125 -7.478 149 HB2 LYS 17 HB2 LYS 17 -2.315 42.949 -7.992 150 HB3 LYS 17 HB1 LYS 17 -1.812 42.838 -6.311 151 HG2 LYS 17 HG2 LYS 17 -4.102 42.721 -5.575 152 HG3 LYS 17 HG1 LYS 17 -4.684 43.014 -7.215 153 HD2 LYS 17 HD2 LYS 17 -3.586 40.892 -7.926 154 HD3 LYS 17 HD1 LYS 17 -3.154 40.591 -6.242 155 HE2 LYS 17 HE2 LYS 17 -5.484 40.483 -5.617 156 HE3 LYS 17 HE1 LYS 17 -5.983 40.945 -7.246 157 HZ1 LYS 17 HZ1 LYS 17 -4.580 38.442 -6.485 158 HZ2 LYS 17 HZ2 LYS 17 -4.965 38.892 -8.069 159 HZ3 LYS 17 HZ3 LYS 17 -6.200 38.581 -6.956 160 H HIS 18 HN HIS 18 -4.113 46.561 -6.067 161 HA HIS 18 HA HIS 18 -3.780 45.931 -3.200 162 HB2 HIS 18 HB2 HIS 18 -4.283 48.595 -4.559 163 HB3 HIS 18 HB1 HIS 18 -4.576 48.339 -2.844 164 HD1 HIS 18 HD1 HIS 18 -1.836 48.769 -5.336 165 HD2 HIS 18 HD2 HIS 18 -2.277 48.158 -1.250 166 HE1 HIS 18 HE1 HIS 18 0.407 49.295 -4.328 167 HE2 HIS 18 HE2 HIS 18 0.081 49.035 -1.841 168 H ARG 19 HN ARG 19 -5.824 46.480 -1.948 169 HA ARG 19 HA ARG 19 -8.192 45.944 -3.625 170 HB2 ARG 19 HB2 ARG 19 -7.831 45.144 -0.726 171 HB3 ARG 19 HB1 ARG 19 -9.203 44.769 -1.760 172 HG2 ARG 19 HG2 ARG 19 -7.313 43.624 -3.235 173 HG3 ARG 19 HG1 ARG 19 -6.492 43.548 -1.675 174 HD2 ARG 19 HD2 ARG 19 -7.706 41.501 -1.965 175 HD3 ARG 19 HD1 ARG 19 -8.548 42.452 -0.738 176 HE ARG 19 HE ARG 19 -9.523 42.817 -3.436 177 HH11 ARG 19 HH11 ARG 19 -9.873 40.963 -0.478 178 HH12 ARG 19 HH12 ARG 19 -11.497 40.475 -0.846 179 HH21 ARG 19 HH21 ARG 19 -11.634 42.176 -3.906 180 HH22 ARG 19 HH22 ARG 19 -12.499 41.157 -2.798 181 H PHE 20 HN PHE 20 -10.140 46.938 -3.023 182 HA PHE 20 HA PHE 20 -9.856 49.280 -1.247 183 HB2 PHE 20 HB2 PHE 20 -11.587 48.888 -3.706 184 HB3 PHE 20 HB1 PHE 20 -11.788 50.232 -2.587 185 HD1 PHE 20 HD1 PHE 20 -9.529 48.702 -5.073 186 HD2 PHE 20 HD2 PHE 20 -10.299 52.096 -2.614 187 HE1 PHE 20 HE1 PHE 20 -7.818 49.975 -6.298 188 HE2 PHE 20 HE2 PHE 20 -8.589 53.372 -3.840 189 HZ PHE 20 HZ PHE 20 -7.346 52.312 -5.683 190 H CYS 21 HN CYS 21 -11.475 49.650 0.256 191 HA CYS 21 HA CYS 21 -12.797 47.323 1.238 192 HB2 CYS 21 HB2 CYS 21 -11.970 49.055 2.734 193 HB3 CYS 21 HB1 CYS 21 -13.042 50.238 1.999 194 HA PRO 22 HA PRO 22 -16.150 46.974 -1.574 195 HB2 PRO 22 HB2 PRO 22 -17.807 46.620 0.879 196 HB3 PRO 22 HB1 PRO 22 -17.691 45.606 -0.560 197 HG2 PRO 22 HG2 PRO 22 -16.426 45.130 1.866 198 HG3 PRO 22 HG1 PRO 22 -15.992 44.388 0.319 199 HD2 PRO 22 HD2 PRO 22 -14.457 46.230 1.881 200 HD3 PRO 22 HD1 PRO 22 -14.041 45.537 0.305 201 H ARG 23 HN ARG 23 -16.873 48.823 1.393 202 HA ARG 23 HA ARG 23 -18.907 50.322 -0.074 203 HB2 ARG 23 HB2 ARG 23 -18.352 50.361 2.896 204 HB3 ARG 23 HB1 ARG 23 -19.764 51.010 2.074 205 HG2 ARG 23 HG2 ARG 23 -18.999 48.111 2.367 206 HG3 ARG 23 HG1 ARG 23 -20.359 48.943 3.120 207 HD2 ARG 23 HD2 ARG 23 -19.992 48.466 0.158 208 HD3 ARG 23 HD1 ARG 23 -21.077 47.572 1.218 209 HE ARG 23 HE ARG 23 -21.395 50.376 0.376 210 HH11 ARG 23 HH11 ARG 23 -22.713 47.478 1.842 211 HH12 ARG 23 HH12 ARG 23 -24.348 48.065 1.832 212 HH21 ARG 23 HH21 ARG 23 -23.545 51.142 0.345 213 HH22 ARG 23 HH22 ARG 23 -24.819 50.143 0.974 214 H CYS 24 HN CYS 24 -16.079 50.958 2.030 215 HA CYS 24 HA CYS 24 -16.281 53.814 1.605 216 HB2 CYS 24 HB2 CYS 24 -13.815 52.567 2.762 217 HB3 CYS 24 HB1 CYS 24 -14.599 54.085 3.179 218 H GLY 25 HN GLY 25 -15.265 51.455 -0.393 219 HA2 GLY 25 HA2 GLY 25 -12.725 51.681 -1.205 220 HA3 GLY 25 HA1 GLY 25 -14.040 51.508 -2.350 221 HA PRO 26 HA PRO 26 -13.332 55.574 -4.000 222 HB2 PRO 26 HB2 PRO 26 -15.997 56.604 -3.229 223 HB3 PRO 26 HB1 PRO 26 -15.299 56.388 -4.838 224 HG2 PRO 26 HG2 PRO 26 -17.246 54.777 -3.933 225 HG3 PRO 26 HG1 PRO 26 -15.939 54.166 -4.965 226 HD2 PRO 26 HD2 PRO 26 -16.274 53.930 -1.991 227 HD3 PRO 26 HD1 PRO 26 -15.723 52.712 -3.165 228 H GLY 27 HN GLY 27 -11.836 55.922 -2.166 229 HA2 GLY 27 HA2 GLY 27 -11.303 58.242 -1.316 230 HA3 GLY 27 HA1 GLY 27 -12.777 58.080 -0.374 231 H VAL 28 HN VAL 28 -12.164 55.162 0.060 232 HA VAL 28 HA VAL 28 -9.859 55.394 1.883 233 HB VAL 28 HB VAL 28 -12.444 54.012 2.652 234 HG11 VAL 28 HG11 VAL 28 -10.488 53.024 3.701 235 HG12 VAL 28 HG12 VAL 28 -11.426 53.909 4.904 236 HG13 VAL 28 HG13 VAL 28 -9.946 54.611 4.250 237 HG21 VAL 28 HG21 VAL 28 -12.809 56.427 2.582 238 HG22 VAL 28 HG22 VAL 28 -11.389 56.686 3.594 239 HG23 VAL 28 HG23 VAL 28 -12.798 55.851 4.250 240 H PHE 29 HN PHE 29 -8.525 54.155 0.679 241 HA PHE 29 HA PHE 29 -9.235 51.689 -0.538 242 HB2 PHE 29 HB2 PHE 29 -6.780 51.378 -0.798 243 HB3 PHE 29 HB1 PHE 29 -7.325 52.956 -1.352 244 HD1 PHE 29 HD2 PHE 29 -6.708 54.986 -0.149 245 HD2 PHE 29 HD1 PHE 29 -5.375 51.160 1.179 246 HE1 PHE 29 HE2 PHE 29 -5.047 56.070 1.307 247 HE2 PHE 29 HE1 PHE 29 -3.716 52.243 2.635 248 HZ PHE 29 HZ PHE 29 -3.548 54.699 2.701 249 H LEU 30 HN LEU 30 -7.887 49.651 0.083 250 HA LEU 30 HA LEU 30 -8.422 49.133 2.916 251 HB2 LEU 30 HB2 LEU 30 -9.313 47.642 1.069 252 HB3 LEU 30 HB1 LEU 30 -7.658 47.158 0.755 253 HG LEU 30 HG LEU 30 -7.487 46.172 2.979 254 HD11 LEU 30 HD11 LEU 30 -8.940 47.691 4.203 255 HD12 LEU 30 HD12 LEU 30 -9.442 46.019 4.446 256 HD13 LEU 30 HD13 LEU 30 -10.348 47.061 3.349 257 HD21 LEU 30 HD21 LEU 30 -8.317 44.779 1.154 258 HD22 LEU 30 HD22 LEU 30 -9.970 45.282 1.508 259 HD23 LEU 30 HD23 LEU 30 -9.068 44.325 2.684 260 H ALA 31 HN ALA 31 -6.753 49.771 4.131 261 HA ALA 31 HA ALA 31 -4.137 50.191 3.308 262 HB1 ALA 31 HB1 ALA 31 -5.104 51.211 5.312 263 HB2 ALA 31 HB2 ALA 31 -3.579 50.404 5.677 264 HB3 ALA 31 HB3 ALA 31 -5.108 49.641 6.116 265 H GLU 32 HN GLU 32 -2.749 48.751 2.576 266 HA GLU 32 HA GLU 32 -2.941 45.963 3.319 267 HB2 GLU 32 HB2 GLU 32 -2.552 46.633 0.973 268 HB3 GLU 32 HB1 GLU 32 -1.020 47.363 1.437 269 HG2 GLU 32 HG2 GLU 32 -0.138 45.202 2.074 270 HG3 GLU 32 HG1 GLU 32 -1.693 44.441 1.747 271 H HIS 33 HN HIS 33 -1.853 45.074 4.923 272 HA HIS 33 HA HIS 33 0.848 46.060 5.582 273 HB2 HIS 33 HB2 HIS 33 -1.231 45.015 7.538 274 HB3 HIS 33 HB1 HIS 33 0.439 45.390 7.947 275 HD1 HIS 33 HD1 HIS 33 0.998 47.803 8.463 276 HD2 HIS 33 HD2 HIS 33 -2.855 47.314 6.974 277 HE1 HIS 33 HE1 HIS 33 -0.124 50.035 8.747 278 HE2 HIS 33 HE2 HIS 33 -2.498 49.670 7.997 279 H ALA 34 HN ALA 34 2.281 44.350 6.382 280 HA ALA 34 HA ALA 34 2.210 42.074 4.746 281 HB1 ALA 34 HB1 ALA 34 4.286 43.021 5.656 282 HB2 ALA 34 HB2 ALA 34 4.145 41.298 6.010 283 HB3 ALA 34 HB3 ALA 34 3.816 42.488 7.271 284 H ASP 35 HN ASP 35 0.961 42.645 7.936 285 HA ASP 35 HA ASP 35 0.502 39.864 8.554 286 HB2 ASP 35 HB2 ASP 35 -0.573 42.383 9.861 287 HB3 ASP 35 HB1 ASP 35 -0.786 40.753 10.490 288 H ARG 36 HN ARG 36 -1.345 42.551 7.217 289 HA ARG 36 HA ARG 36 -3.449 40.977 6.204 290 HB2 ARG 36 HB2 ARG 36 -5.237 41.492 7.769 291 HB3 ARG 36 HB1 ARG 36 -3.933 40.695 8.641 292 HG2 ARG 36 HG2 ARG 36 -3.130 42.921 9.387 293 HG3 ARG 36 HG1 ARG 36 -4.535 43.652 8.611 294 HD2 ARG 36 HD2 ARG 36 -5.954 42.129 10.065 295 HD3 ARG 36 HD1 ARG 36 -4.477 41.767 10.960 296 HE ARG 36 HE ARG 36 -4.658 44.524 10.856 297 HH11 ARG 36 HH11 ARG 36 -6.536 41.887 12.202 298 HH12 ARG 36 HH12 ARG 36 -7.261 42.862 13.435 299 HH21 ARG 36 HH21 ARG 36 -5.607 45.813 12.487 300 HH22 ARG 36 HH22 ARG 36 -6.721 45.090 13.606 301 H TYR 37 HN TYR 37 -5.320 42.347 5.545 302 HA TYR 37 HA TYR 37 -4.597 45.131 4.986 303 HB2 TYR 37 HB2 TYR 37 -7.021 43.559 4.049 304 HB3 TYR 37 HB1 TYR 37 -6.486 45.120 3.450 305 HD1 TYR 37 HD1 TYR 37 -5.858 41.498 3.399 306 HD2 TYR 37 HD2 TYR 37 -4.708 45.279 1.813 307 HE1 TYR 37 HE1 TYR 37 -4.624 40.363 1.608 308 HE2 TYR 37 HE2 TYR 37 -3.467 44.148 0.018 309 HH TYR 37 HH TYR 37 -3.838 40.901 -0.718 310 H SER 38 HN SER 38 -5.995 46.842 5.710 311 HA SER 38 HA SER 38 -8.325 46.157 7.300 312 HB2 SER 38 HB2 SER 38 -6.304 46.094 8.858 313 HB3 SER 38 HB1 SER 38 -6.165 47.832 8.600 314 HG SER 38 HG SER 38 -8.220 46.368 9.866 315 H CYS 39 HN CYS 39 -9.499 48.154 8.015 316 HA CYS 39 HA CYS 39 -9.106 50.358 6.084 317 HB2 CYS 39 HB2 CYS 39 -10.875 49.001 5.202 318 HB3 CYS 39 HB1 CYS 39 -11.657 48.894 6.762 319 H GLY 40 HN GLY 40 -8.754 52.159 7.241 320 HA2 GLY 40 HA2 GLY 40 -9.698 52.707 9.819 321 HA3 GLY 40 HA1 GLY 40 -9.274 53.921 8.614 322 H ARG 41 HN ARG 41 -11.429 54.047 10.488 323 HA ARG 41 HA ARG 41 -13.409 55.132 10.449 324 HB2 ARG 41 HB2 ARG 41 -13.225 54.617 7.505 325 HB3 ARG 41 HB1 ARG 41 -14.774 55.065 8.193 326 HG2 ARG 41 HG2 ARG 41 -13.596 57.000 7.298 327 HG3 ARG 41 HG1 ARG 41 -13.839 57.144 9.037 328 HD2 ARG 41 HD2 ARG 41 -11.529 56.515 9.443 329 HD3 ARG 41 HD1 ARG 41 -11.273 56.240 7.719 330 HE ARG 41 HE ARG 41 -12.029 58.796 7.708 331 HH11 ARG 41 HH11 ARG 41 -9.732 57.164 9.806 332 HH12 ARG 41 HH12 ARG 41 -8.749 58.579 10.020 333 HH21 ARG 41 HH21 ARG 41 -10.735 60.640 8.003 334 HH22 ARG 41 HH22 ARG 41 -9.314 60.549 8.999 335 H CYS 42 HN CYS 42 -13.531 52.003 8.570 336 HA CYS 42 HA CYS 42 -15.845 51.410 10.317 337 HB2 CYS 42 HB2 CYS 42 -17.001 50.297 8.635 338 HB3 CYS 42 HB1 CYS 42 -16.264 51.630 7.759 339 H GLY 43 HN GLY 43 -12.692 50.532 9.668 340 HA2 GLY 43 HA2 GLY 43 -11.396 48.955 10.714 341 HA3 GLY 43 HA1 GLY 43 -12.806 48.503 11.656 342 H TYR 44 HN TYR 44 -13.172 48.362 8.236 343 HA TYR 44 HA TYR 44 -13.603 45.582 8.179 344 HB2 TYR 44 HB2 TYR 44 -14.561 46.969 6.428 345 HB3 TYR 44 HB1 TYR 44 -12.960 47.488 5.906 346 HD1 TYR 44 HD2 TYR 44 -15.264 44.580 6.052 347 HD2 TYR 44 HD1 TYR 44 -11.664 46.153 4.409 348 HE1 TYR 44 HE2 TYR 44 -15.147 42.681 4.493 349 HE2 TYR 44 HE1 TYR 44 -11.539 44.259 2.849 350 HH TYR 44 HH TYR 44 -12.394 41.864 2.782 351 H THR 45 HN THR 45 -12.159 44.025 8.398 352 HA THR 45 HA THR 45 -9.381 44.502 7.527 353 HB THR 45 HB THR 45 -10.378 42.969 9.944 354 HG1 THR 45 HG1 THR 45 -9.959 44.780 10.935 355 HG21 THR 45 HG21 THR 45 -7.546 43.278 8.924 356 HG22 THR 45 HG22 THR 45 -8.479 41.782 8.950 357 HG23 THR 45 HG23 THR 45 -8.010 42.554 10.465 358 H GLU 46 HN GLU 46 -8.311 42.843 6.522 359 HA GLU 46 HA GLU 46 -9.637 40.279 6.076 360 HB2 GLU 46 HB2 GLU 46 -10.370 41.782 4.224 361 HB3 GLU 46 HB1 GLU 46 -8.683 42.062 3.812 362 HG2 GLU 46 HG2 GLU 46 -8.416 39.690 3.280 363 HG3 GLU 46 HG1 GLU 46 -10.103 39.402 3.706 364 H PHE 47 HN PHE 47 -8.091 38.809 6.570 365 HA PHE 47 HA PHE 47 -5.440 39.645 7.093 366 HB2 PHE 47 HB2 PHE 47 -6.702 36.904 7.063 367 HB3 PHE 47 HB1 PHE 47 -5.044 37.208 7.580 368 HD1 PHE 47 HD1 PHE 47 -4.575 38.459 9.602 369 HD2 PHE 47 HD2 PHE 47 -8.579 37.588 8.436 370 HE1 PHE 47 HE1 PHE 47 -5.364 39.061 11.853 371 HE2 PHE 47 HE2 PHE 47 -9.367 38.188 10.686 372 HZ PHE 47 HZ PHE 47 -7.758 38.928 12.396 373 H LYS 48 HN LYS 48 -3.480 39.005 6.213 374 HA LYS 48 HA LYS 48 -3.407 38.920 3.358 375 HB2 LYS 48 HB2 LYS 48 -1.419 39.026 5.561 376 HB3 LYS 48 HB1 LYS 48 -0.848 38.314 4.061 377 HG2 LYS 48 HG2 LYS 48 -2.141 41.034 4.221 378 HG3 LYS 48 HG1 LYS 48 -0.401 40.765 4.346 379 HD2 LYS 48 HD2 LYS 48 -0.529 39.602 2.102 380 HD3 LYS 48 HD1 LYS 48 -2.193 40.178 1.983 381 HE2 LYS 48 HE2 LYS 48 -1.398 42.494 2.168 382 HE3 LYS 48 HE1 LYS 48 0.262 41.915 2.285 383 HZ1 LYS 48 HZ1 LYS 48 0.013 40.953 0.059 384 HZ2 LYS 48 HZ2 LYS 48 -0.216 42.624 0.047 385 HZ3 LYS 48 HZ3 LYS 48 -1.550 41.589 -0.051 386 H LYS 49 HN LYS 49 -4.712 36.966 3.086 387 HA LYS 49 HA LYS 49 -3.105 34.511 3.340 388 HB2 LYS 49 HB2 LYS 49 -5.303 34.393 4.430 389 HB3 LYS 49 HB1 LYS 49 -6.090 34.828 2.919 390 HG2 LYS 49 HG2 LYS 49 -5.538 32.760 1.917 391 HG3 LYS 49 HG1 LYS 49 -4.389 32.362 3.192 392 HD2 LYS 49 HD2 LYS 49 -7.311 32.747 3.798 393 HD3 LYS 49 HD1 LYS 49 -6.698 31.204 3.203 394 HE2 LYS 49 HE2 LYS 49 -6.814 31.153 5.620 395 HE3 LYS 49 HE1 LYS 49 -5.129 31.117 5.111 396 HZ1 LYS 49 HZ1 LYS 49 -6.544 33.566 6.012 397 HZ2 LYS 49 HZ2 LYS 49 -4.891 33.410 5.700 398 HZ3 LYS 49 HZ3 LYS 49 -5.584 32.601 7.012 399 H ALA 50 HN ALA 50 -2.587 33.341 1.545 400 HA ALA 50 HA ALA 50 -2.083 34.804 -0.771 401 HB1 ALA 50 HB1 ALA 50 -2.095 31.802 -0.451 402 HB2 ALA 50 HB2 ALA 50 -0.755 32.876 -0.053 403 HB3 ALA 50 HB3 ALA 50 -1.284 32.711 -1.728 404 H LYS 51 HN LYS 51 -3.200 35.240 -2.541 405 HA LYS 51 HA LYS 51 -5.782 34.005 -3.054 406 HB2 LYS 51 HB2 LYS 51 -4.296 36.381 -4.038 407 HB3 LYS 51 HB1 LYS 51 -5.313 35.593 -5.230 408 HG2 LYS 51 HG2 LYS 51 -6.432 37.468 -4.120 409 HG3 LYS 51 HG1 LYS 51 -7.274 35.943 -3.872 410 HD2 LYS 51 HD2 LYS 51 -5.311 36.818 -1.796 411 HD3 LYS 51 HD1 LYS 51 -6.855 37.667 -1.889 412 HE2 LYS 51 HE2 LYS 51 -8.016 35.475 -1.713 413 HE3 LYS 51 HE1 LYS 51 -6.447 34.700 -1.494 414 HZ1 LYS 51 HZ1 LYS 51 -7.644 36.747 0.291 415 HZ2 LYS 51 HZ2 LYS 51 -6.121 36.038 0.497 416 HZ3 LYS 51 HZ3 LYS 51 -7.515 35.092 0.619 417 H LYS 52 HN LYS 52 -5.695 32.027 -3.876 418 HA LYS 52 HA LYS 52 -5.257 30.257 -5.216 419 HB2 LYS 52 HB2 LYS 52 -3.859 32.243 -7.032 420 HB3 LYS 52 HB1 LYS 52 -4.315 30.596 -7.456 421 HG2 LYS 52 HG2 LYS 52 -6.692 31.212 -7.104 422 HG3 LYS 52 HG1 LYS 52 -6.184 32.877 -6.812 423 HD2 LYS 52 HD2 LYS 52 -5.187 32.938 -9.078 424 HD3 LYS 52 HD1 LYS 52 -5.777 31.298 -9.360 425 HE2 LYS 52 HE2 LYS 52 -7.456 33.752 -8.831 426 HE3 LYS 52 HE1 LYS 52 -7.285 32.909 -10.370 427 HZ1 LYS 52 HZ1 LYS 52 -8.476 31.764 -7.899 428 HZ2 LYS 52 HZ2 LYS 52 -8.328 30.965 -9.382 429 HZ3 LYS 52 HZ3 LYS 52 -9.338 32.315 -9.245 430 H SER 53 HN SER 53 -3.928 28.893 -4.234 431 HA SER 53 HA SER 53 -1.040 29.468 -4.241 432 HB2 SER 53 HB2 SER 53 -0.998 28.330 -1.962 433 HB3 SER 53 HB1 SER 53 -1.754 29.921 -2.008 434 HG SER 53 HG SER 53 -3.185 28.713 -0.916 435 H LYS 54 HN LYS 54 0.115 27.312 -3.422 436 HA LYS 54 HA LYS 54 -0.172 25.412 -5.466 437 HB2 LYS 54 HB2 LYS 54 1.202 25.157 -2.779 438 HB3 LYS 54 HB1 LYS 54 1.402 24.033 -4.116 439 HG2 LYS 54 HG2 LYS 54 2.161 26.952 -4.141 440 HG3 LYS 54 HG1 LYS 54 3.270 25.593 -3.949 441 HD2 LYS 54 HD2 LYS 54 2.522 24.761 -6.189 442 HD3 LYS 54 HD1 LYS 54 1.588 26.248 -6.374 443 HE2 LYS 54 HE2 LYS 54 3.631 27.570 -6.212 444 HE3 LYS 54 HE1 LYS 54 4.578 26.107 -5.952 445 HZ1 LYS 54 HZ1 LYS 54 4.772 26.745 -8.223 446 HZ2 LYS 54 HZ2 LYS 54 3.099 26.858 -8.407 447 HZ3 LYS 54 HZ3 LYS 54 3.818 25.346 -8.166 448 H SER 55 HN SER 55 -0.441 23.015 -5.018 449 HA SER 55 HA SER 55 -3.079 22.591 -3.956 450 HB2 SER 55 HB2 SER 55 -2.267 21.509 -6.048 451 HB3 SER 55 HB1 SER 55 -1.087 20.603 -5.104 452 HG SER 55 HG SER 55 -3.392 20.148 -3.954 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 11.038 78.139 -19.508 2 H2 MET 1 HT2 MET 1 9.593 78.177 -20.379 3 H3 MET 1 HT3 MET 1 10.377 79.619 -19.981 4 HA MET 1 HA MET 1 10.724 79.086 -22.288 5 HB2 MET 1 HB2 MET 1 13.211 78.688 -20.602 6 HB3 MET 1 HB1 MET 1 13.196 79.143 -22.299 7 HG2 MET 1 HG2 MET 1 12.037 81.230 -21.717 8 HG3 MET 1 HG1 MET 1 12.096 80.777 -20.014 9 HE1 MET 1 HE1 MET 1 13.273 83.069 -19.388 10 HE2 MET 1 HE2 MET 1 13.213 83.572 -21.079 11 HE3 MET 1 HE3 MET 1 14.725 83.674 -20.178 12 H GLN 2 HN GLN 2 12.596 77.661 -23.500 13 HA GLN 2 HA GLN 2 13.200 75.654 -24.357 14 HB2 GLN 2 HB2 GLN 2 13.905 75.041 -22.088 15 HB3 GLN 2 HB1 GLN 2 12.267 74.538 -21.698 16 HG2 GLN 2 HG2 GLN 2 12.411 72.755 -23.361 17 HG3 GLN 2 HG1 GLN 2 14.047 73.265 -23.774 18 HE21 GLN 2 HE21 GLN 2 12.831 73.274 -20.491 19 HE22 GLN 2 HE22 GLN 2 13.813 71.971 -19.924 20 H LYS 3 HN LYS 3 11.987 75.122 -26.037 21 HA LYS 3 HA LYS 3 9.228 75.178 -26.146 22 HB2 LYS 3 HB2 LYS 3 9.364 74.187 -28.337 23 HB3 LYS 3 HB1 LYS 3 10.703 75.304 -28.132 24 HG2 LYS 3 HG2 LYS 3 10.987 72.331 -27.739 25 HG3 LYS 3 HG1 LYS 3 11.208 73.118 -29.300 26 HD2 LYS 3 HD2 LYS 3 12.987 74.525 -28.303 27 HD3 LYS 3 HD1 LYS 3 12.796 73.648 -26.783 28 HE2 LYS 3 HE2 LYS 3 13.490 71.588 -27.831 29 HE3 LYS 3 HE1 LYS 3 13.528 72.361 -29.417 30 HZ1 LYS 3 HZ1 LYS 3 15.739 72.151 -28.466 31 HZ2 LYS 3 HZ2 LYS 3 15.274 73.064 -27.121 32 HZ3 LYS 3 HZ3 LYS 3 15.317 73.780 -28.651 33 H ARG 4 HN ARG 4 11.277 72.463 -25.267 34 HA ARG 4 HA ARG 4 9.015 70.643 -25.359 35 HB2 ARG 4 HB2 ARG 4 10.562 68.883 -24.710 36 HB3 ARG 4 HB1 ARG 4 11.208 69.799 -26.063 37 HG2 ARG 4 HG2 ARG 4 12.736 70.968 -24.591 38 HG3 ARG 4 HG1 ARG 4 12.044 70.154 -23.187 39 HD2 ARG 4 HD2 ARG 4 12.757 67.981 -24.150 40 HD3 ARG 4 HD1 ARG 4 13.531 68.855 -25.473 41 HE ARG 4 HE ARG 4 14.332 69.412 -22.700 42 HH11 ARG 4 HH11 ARG 4 15.120 68.199 -25.890 43 HH12 ARG 4 HH12 ARG 4 16.821 68.090 -25.564 44 HH21 ARG 4 HH21 ARG 4 16.553 69.270 -22.267 45 HH22 ARG 4 HH22 ARG 4 17.641 68.738 -23.514 46 H GLU 5 HN GLU 5 7.575 70.917 -23.841 47 HA GLU 5 HA GLU 5 8.405 70.676 -21.061 48 HB2 GLU 5 HB2 GLU 5 8.198 73.116 -21.483 49 HB3 GLU 5 HB1 GLU 5 6.535 72.871 -22.005 50 HG2 GLU 5 HG2 GLU 5 6.702 73.714 -19.705 51 HG3 GLU 5 HG1 GLU 5 5.895 72.150 -19.797 52 H LEU 6 HN LEU 6 7.581 68.637 -21.120 53 HA LEU 6 HA LEU 6 4.668 68.377 -21.520 54 HB2 LEU 6 HB2 LEU 6 6.812 66.256 -21.791 55 HB3 LEU 6 HB1 LEU 6 5.091 66.001 -22.015 56 HG LEU 6 HG LEU 6 6.827 67.780 -23.743 57 HD11 LEU 6 HD11 LEU 6 5.657 65.056 -24.314 58 HD12 LEU 6 HD12 LEU 6 7.362 65.412 -24.038 59 HD13 LEU 6 HD13 LEU 6 6.543 66.066 -25.457 60 HD21 LEU 6 HD21 LEU 6 3.935 66.958 -24.037 61 HD22 LEU 6 HD22 LEU 6 4.871 67.872 -25.221 62 HD23 LEU 6 HD23 LEU 6 4.526 68.572 -23.640 63 H TYR 7 HN TYR 7 4.095 68.865 -19.422 64 HA TYR 7 HA TYR 7 5.079 67.056 -17.323 65 HB2 TYR 7 HB2 TYR 7 4.055 68.729 -15.731 66 HB3 TYR 7 HB1 TYR 7 5.424 69.320 -16.660 67 HD1 TYR 7 HD2 TYR 7 4.977 70.816 -18.662 68 HD2 TYR 7 HD1 TYR 7 1.961 69.839 -15.818 69 HE1 TYR 7 HE2 TYR 7 3.658 72.750 -19.405 70 HE2 TYR 7 HE1 TYR 7 0.635 71.773 -16.560 71 HH TYR 7 HH TYR 7 1.174 73.401 -19.396 72 H GLU 8 HN GLU 8 3.872 65.318 -17.268 73 HA GLU 8 HA GLU 8 1.058 65.544 -16.662 74 HB2 GLU 8 HB2 GLU 8 0.420 63.858 -18.424 75 HB3 GLU 8 HB1 GLU 8 0.841 65.448 -19.046 76 HG2 GLU 8 HG2 GLU 8 3.064 64.619 -19.658 77 HG3 GLU 8 HG1 GLU 8 2.637 63.023 -19.040 78 H ILE 9 HN ILE 9 0.668 64.185 -15.046 79 HA ILE 9 HA ILE 9 2.663 62.177 -14.373 80 HB ILE 9 HB ILE 9 1.322 61.879 -12.280 81 HG12 ILE 9 HG12 ILE 9 -0.285 64.205 -13.391 82 HG13 ILE 9 HG11 ILE 9 -0.883 62.566 -13.172 83 HG21 ILE 9 HG21 ILE 9 1.977 64.030 -11.298 84 HG22 ILE 9 HG22 ILE 9 2.191 64.703 -12.915 85 HG23 ILE 9 HG23 ILE 9 3.229 63.389 -12.361 86 HD11 ILE 9 HD11 ILE 9 -0.020 64.458 -10.993 87 HD12 ILE 9 HD12 ILE 9 -0.567 62.798 -10.747 88 HD13 ILE 9 HD13 ILE 9 -1.674 64.002 -11.405 89 H ALA 10 HN ALA 10 2.482 60.092 -14.764 90 HA ALA 10 HA ALA 10 -0.144 58.864 -15.188 91 HB1 ALA 10 HB1 ALA 10 2.159 58.585 -17.129 92 HB2 ALA 10 HB2 ALA 10 0.664 59.473 -17.420 93 HB3 ALA 10 HB3 ALA 10 0.621 57.723 -17.215 94 H ASP 11 HN ASP 11 -0.161 57.428 -13.588 95 HA ASP 11 HA ASP 11 1.977 55.449 -13.414 96 HB2 ASP 11 HB2 ASP 11 2.298 55.704 -11.046 97 HB3 ASP 11 HB1 ASP 11 2.526 57.285 -11.779 98 H GLY 12 HN GLY 12 1.315 53.627 -11.943 99 HA2 GLY 12 HA2 GLY 12 -1.458 52.948 -12.526 100 HA3 GLY 12 HA1 GLY 12 -0.217 51.862 -11.917 101 H LYS 13 HN LYS 13 -2.948 53.660 -11.125 102 HA LYS 13 HA LYS 13 -2.670 52.960 -8.305 103 HB2 LYS 13 HB2 LYS 13 -1.763 55.284 -8.582 104 HB3 LYS 13 HB1 LYS 13 -3.333 55.781 -9.193 105 HG2 LYS 13 HG2 LYS 13 -4.363 55.283 -7.054 106 HG3 LYS 13 HG1 LYS 13 -2.825 54.673 -6.432 107 HD2 LYS 13 HD2 LYS 13 -1.832 56.912 -6.764 108 HD3 LYS 13 HD1 LYS 13 -3.395 57.504 -7.329 109 HE2 LYS 13 HE2 LYS 13 -4.388 57.009 -5.156 110 HE3 LYS 13 HE1 LYS 13 -2.851 56.356 -4.589 111 HZ1 LYS 13 HZ1 LYS 13 -3.354 59.166 -5.404 112 HZ2 LYS 13 HZ2 LYS 13 -1.866 58.548 -4.894 113 HZ3 LYS 13 HZ3 LYS 13 -3.166 58.606 -3.819 114 H LEU 14 HN LEU 14 -4.588 52.278 -7.473 115 HA LEU 14 HA LEU 14 -6.704 51.456 -7.485 116 HB2 LEU 14 HB2 LEU 14 -7.120 54.179 -8.699 117 HB3 LEU 14 HB1 LEU 14 -8.465 53.061 -8.573 118 HG LEU 14 HG LEU 14 -8.134 52.971 -6.111 119 HD11 LEU 14 HD11 LEU 14 -5.763 53.513 -6.004 120 HD12 LEU 14 HD12 LEU 14 -6.706 54.629 -5.018 121 HD13 LEU 14 HD13 LEU 14 -6.094 55.144 -6.590 122 HD21 LEU 14 HD21 LEU 14 -8.532 55.744 -7.245 123 HD22 LEU 14 HD22 LEU 14 -9.029 55.204 -5.641 124 HD23 LEU 14 HD23 LEU 14 -9.771 54.499 -7.076 125 H VAL 15 HN VAL 15 -4.990 50.568 -9.496 126 HA VAL 15 HA VAL 15 -6.686 50.343 -11.889 127 HB VAL 15 HB VAL 15 -3.748 49.673 -11.552 128 HG11 VAL 15 HG11 VAL 15 -5.474 49.633 -14.035 129 HG12 VAL 15 HG12 VAL 15 -4.792 48.228 -13.217 130 HG13 VAL 15 HG13 VAL 15 -3.725 49.397 -13.996 131 HG21 VAL 15 HG21 VAL 15 -4.171 52.082 -11.494 132 HG22 VAL 15 HG22 VAL 15 -5.080 51.969 -13.000 133 HG23 VAL 15 HG23 VAL 15 -3.350 51.624 -12.987 134 H ARG 16 HN ARG 16 -4.587 48.278 -9.832 135 HA ARG 16 HA ARG 16 -6.488 46.102 -10.029 136 HB2 ARG 16 HB2 ARG 16 -4.893 46.184 -12.141 137 HB3 ARG 16 HB1 ARG 16 -3.733 45.458 -11.045 138 HG2 ARG 16 HG2 ARG 16 -6.452 44.302 -11.651 139 HG3 ARG 16 HG1 ARG 16 -4.973 43.848 -12.485 140 HD2 ARG 16 HD2 ARG 16 -5.301 42.166 -10.884 141 HD3 ARG 16 HD1 ARG 16 -4.064 43.206 -10.184 142 HE ARG 16 HE ARG 16 -5.476 43.629 -8.453 143 HH11 ARG 16 HH11 ARG 16 -7.419 42.504 -11.156 144 HH12 ARG 16 HH12 ARG 16 -8.897 42.487 -10.240 145 HH21 ARG 16 HH21 ARG 16 -7.395 43.567 -7.255 146 HH22 ARG 16 HH22 ARG 16 -8.882 43.086 -8.021 147 H LYS 17 HN LYS 17 -2.984 46.484 -9.426 148 HA LYS 17 HA LYS 17 -3.004 44.465 -7.424 149 HB2 LYS 17 HB2 LYS 17 -0.831 46.467 -8.090 150 HB3 LYS 17 HB1 LYS 17 -0.629 45.019 -7.111 151 HG2 LYS 17 HG2 LYS 17 -1.230 43.646 -9.082 152 HG3 LYS 17 HG1 LYS 17 -1.318 45.120 -10.048 153 HD2 LYS 17 HD2 LYS 17 1.136 44.120 -8.588 154 HD3 LYS 17 HD1 LYS 17 0.838 43.956 -10.319 155 HE2 LYS 17 HE2 LYS 17 1.065 46.573 -8.827 156 HE3 LYS 17 HE1 LYS 17 2.345 45.836 -9.792 157 HZ1 LYS 17 HZ1 LYS 17 0.932 46.024 -11.740 158 HZ2 LYS 17 HZ2 LYS 17 1.170 47.539 -11.033 159 HZ3 LYS 17 HZ3 LYS 17 -0.295 46.729 -10.819 160 H HIS 18 HN HIS 18 -4.661 45.391 -6.060 161 HA HIS 18 HA HIS 18 -3.823 46.041 -3.580 162 HB2 HIS 18 HB2 HIS 18 -3.929 48.494 -5.229 163 HB3 HIS 18 HB1 HIS 18 -4.851 48.604 -3.735 164 HD1 HIS 18 HD1 HIS 18 -1.515 49.061 -5.020 165 HD2 HIS 18 HD2 HIS 18 -3.147 47.867 -1.391 166 HE1 HIS 18 HE1 HIS 18 0.304 49.391 -3.322 167 HE2 HIS 18 HE2 HIS 18 -0.626 48.392 -1.210 168 H ARG 19 HN ARG 19 -5.497 45.100 -2.589 169 HA ARG 19 HA ARG 19 -8.172 45.284 -3.618 170 HB2 ARG 19 HB2 ARG 19 -7.229 44.241 -0.931 171 HB3 ARG 19 HB1 ARG 19 -8.833 44.023 -1.615 172 HG2 ARG 19 HG2 ARG 19 -7.617 42.843 -3.563 173 HG3 ARG 19 HG1 ARG 19 -6.241 42.764 -2.459 174 HD2 ARG 19 HD2 ARG 19 -7.487 40.710 -2.279 175 HD3 ARG 19 HD1 ARG 19 -7.721 41.634 -0.792 176 HE ARG 19 HE ARG 19 -9.728 41.939 -2.886 177 HH11 ARG 19 HH11 ARG 19 -8.864 40.495 0.188 178 HH12 ARG 19 HH12 ARG 19 -10.496 40.093 0.598 179 HH21 ARG 19 HH21 ARG 19 -11.868 41.401 -2.353 180 HH22 ARG 19 HH22 ARG 19 -12.202 40.595 -0.855 181 H PHE 20 HN PHE 20 -9.861 46.510 -2.855 182 HA PHE 20 HA PHE 20 -9.175 48.569 -0.853 183 HB2 PHE 20 HB2 PHE 20 -11.066 48.831 -3.208 184 HB3 PHE 20 HB1 PHE 20 -10.729 50.083 -2.016 185 HD1 PHE 20 HD2 PHE 20 -8.264 50.846 -1.799 186 HD2 PHE 20 HD1 PHE 20 -9.795 48.713 -5.157 187 HE1 PHE 20 HE2 PHE 20 -6.372 51.633 -3.163 188 HE2 PHE 20 HE1 PHE 20 -7.905 49.497 -6.520 189 HZ PHE 20 HZ PHE 20 -6.191 50.959 -5.524 190 H CYS 21 HN CYS 21 -11.182 49.477 0.251 191 HA CYS 21 HA CYS 21 -12.681 47.217 1.284 192 HB2 CYS 21 HB2 CYS 21 -11.751 49.044 2.740 193 HB3 CYS 21 HB1 CYS 21 -12.922 50.142 2.026 194 HA PRO 22 HA PRO 22 -15.684 47.361 -1.919 195 HB2 PRO 22 HB2 PRO 22 -17.606 46.698 0.275 196 HB3 PRO 22 HB1 PRO 22 -17.388 45.931 -1.303 197 HG2 PRO 22 HG2 PRO 22 -16.438 44.854 0.965 198 HG3 PRO 22 HG1 PRO 22 -15.606 44.660 -0.586 199 HD2 PRO 22 HD2 PRO 22 -14.845 46.272 1.768 200 HD3 PRO 22 HD1 PRO 22 -13.831 45.660 0.451 201 H ARG 23 HN ARG 23 -17.073 48.594 1.148 202 HA ARG 23 HA ARG 23 -18.764 50.364 -0.368 203 HB2 ARG 23 HB2 ARG 23 -18.540 49.869 2.601 204 HB3 ARG 23 HB1 ARG 23 -19.671 51.013 1.888 205 HG2 ARG 23 HG2 ARG 23 -20.569 49.091 0.512 206 HG3 ARG 23 HG1 ARG 23 -19.598 48.027 1.531 207 HD2 ARG 23 HD2 ARG 23 -21.700 49.939 2.557 208 HD3 ARG 23 HD1 ARG 23 -21.981 48.229 2.240 209 HE ARG 23 HE ARG 23 -19.787 48.690 4.029 210 HH11 ARG 23 HH11 ARG 23 -23.276 48.424 3.827 211 HH12 ARG 23 HH12 ARG 23 -23.456 47.917 5.478 212 HH21 ARG 23 HH21 ARG 23 -20.028 48.014 6.195 213 HH22 ARG 23 HH22 ARG 23 -21.608 47.663 6.816 214 H CYS 24 HN CYS 24 -15.915 50.742 1.693 215 HA CYS 24 HA CYS 24 -16.123 53.649 1.621 216 HB2 CYS 24 HB2 CYS 24 -13.730 52.088 2.591 217 HB3 CYS 24 HB1 CYS 24 -14.210 53.721 3.026 218 H GLY 25 HN GLY 25 -15.165 51.399 -0.571 219 HA2 GLY 25 HA2 GLY 25 -12.577 51.762 -1.305 220 HA3 GLY 25 HA1 GLY 25 -13.853 51.416 -2.452 221 HA PRO 26 HA PRO 26 -13.472 55.355 -4.394 222 HB2 PRO 26 HB2 PRO 26 -15.912 56.615 -4.132 223 HB3 PRO 26 HB1 PRO 26 -15.571 55.335 -5.301 224 HG2 PRO 26 HG2 PRO 26 -16.900 55.150 -2.623 225 HG3 PRO 26 HG1 PRO 26 -17.340 54.359 -4.150 226 HD2 PRO 26 HD2 PRO 26 -16.032 53.033 -2.214 227 HD3 PRO 26 HD1 PRO 26 -15.691 52.736 -3.932 228 H GLY 27 HN GLY 27 -11.961 55.948 -2.655 229 HA2 GLY 27 HA2 GLY 27 -11.533 58.329 -1.948 230 HA3 GLY 27 HA1 GLY 27 -12.997 58.164 -0.990 231 H VAL 28 HN VAL 28 -12.212 55.294 -0.382 232 HA VAL 28 HA VAL 28 -10.071 55.876 1.573 233 HB VAL 28 HB VAL 28 -12.448 54.086 2.136 234 HG11 VAL 28 HG11 VAL 28 -11.653 54.199 4.468 235 HG12 VAL 28 HG12 VAL 28 -10.274 55.167 3.943 236 HG13 VAL 28 HG13 VAL 28 -10.443 53.501 3.391 237 HG21 VAL 28 HG21 VAL 28 -13.226 56.394 1.946 238 HG22 VAL 28 HG22 VAL 28 -11.979 56.926 3.075 239 HG23 VAL 28 HG23 VAL 28 -13.272 55.860 3.628 240 H PHE 29 HN PHE 29 -8.442 54.819 0.553 241 HA PHE 29 HA PHE 29 -8.614 52.266 -0.638 242 HB2 PHE 29 HB2 PHE 29 -6.140 52.258 -0.472 243 HB3 PHE 29 HB1 PHE 29 -6.752 53.774 -1.123 244 HD1 PHE 29 HD1 PHE 29 -6.687 55.826 0.224 245 HD2 PHE 29 HD2 PHE 29 -4.999 52.182 1.649 246 HE1 PHE 29 HE1 PHE 29 -5.441 57.076 1.933 247 HE2 PHE 29 HE2 PHE 29 -3.754 53.432 3.365 248 HZ PHE 29 HZ PHE 29 -3.977 55.878 3.508 249 H LEU 30 HN LEU 30 -7.626 50.278 0.201 250 HA LEU 30 HA LEU 30 -8.353 49.863 3.001 251 HB2 LEU 30 HB2 LEU 30 -9.151 48.370 1.119 252 HB3 LEU 30 HB1 LEU 30 -7.496 47.826 0.939 253 HG LEU 30 HG LEU 30 -7.539 46.880 3.202 254 HD11 LEU 30 HD11 LEU 30 -9.630 46.784 4.469 255 HD12 LEU 30 HD12 LEU 30 -10.413 47.813 3.268 256 HD13 LEU 30 HD13 LEU 30 -9.090 48.448 4.248 257 HD21 LEU 30 HD21 LEU 30 -9.888 46.018 1.509 258 HD22 LEU 30 HD22 LEU 30 -9.117 45.060 2.774 259 HD23 LEU 30 HD23 LEU 30 -8.220 45.480 1.316 260 H ALA 31 HN ALA 31 -6.837 49.962 4.528 261 HA ALA 31 HA ALA 31 -4.142 50.499 3.992 262 HB1 ALA 31 HB1 ALA 31 -3.788 50.294 6.397 263 HB2 ALA 31 HB2 ALA 31 -5.362 49.514 6.571 264 HB3 ALA 31 HB3 ALA 31 -5.266 51.196 6.051 265 H GLU 32 HN GLU 32 -2.953 49.060 2.900 266 HA GLU 32 HA GLU 32 -3.158 46.219 3.407 267 HB2 GLU 32 HB2 GLU 32 -2.927 46.942 1.108 268 HB3 GLU 32 HB1 GLU 32 -1.444 47.809 1.488 269 HG2 GLU 32 HG2 GLU 32 -0.385 45.636 2.075 270 HG3 GLU 32 HG1 GLU 32 -1.853 44.821 1.539 271 H HIS 33 HN HIS 33 -2.112 45.347 5.041 272 HA HIS 33 HA HIS 33 0.657 46.195 5.618 273 HB2 HIS 33 HB2 HIS 33 -1.289 44.709 7.420 274 HB3 HIS 33 HB1 HIS 33 0.364 45.142 7.838 275 HD1 HIS 33 HD1 HIS 33 0.448 47.120 9.314 276 HD2 HIS 33 HD2 HIS 33 -2.802 47.271 6.728 277 HE1 HIS 33 HE1 HIS 33 -0.768 49.243 9.882 278 HE2 HIS 33 HE2 HIS 33 -2.824 49.215 8.432 279 H ALA 34 HN ALA 34 2.174 44.425 6.047 280 HA ALA 34 HA ALA 34 2.130 42.485 4.040 281 HB1 ALA 34 HB1 ALA 34 4.090 41.528 5.131 282 HB2 ALA 34 HB2 ALA 34 3.742 42.453 6.591 283 HB3 ALA 34 HB3 ALA 34 4.187 43.290 5.104 284 H ASP 35 HN ASP 35 0.874 42.405 7.278 285 HA ASP 35 HA ASP 35 0.542 39.513 7.296 286 HB2 ASP 35 HB2 ASP 35 -0.459 41.526 9.328 287 HB3 ASP 35 HB1 ASP 35 -0.304 39.787 9.548 288 H ARG 36 HN ARG 36 -1.370 42.389 6.684 289 HA ARG 36 HA ARG 36 -3.705 40.974 5.907 290 HB2 ARG 36 HB2 ARG 36 -5.150 41.419 7.791 291 HB3 ARG 36 HB1 ARG 36 -3.734 40.553 8.374 292 HG2 ARG 36 HG2 ARG 36 -2.766 42.804 9.003 293 HG3 ARG 36 HG1 ARG 36 -4.359 43.485 8.668 294 HD2 ARG 36 HD2 ARG 36 -4.211 43.073 11.018 295 HD3 ARG 36 HD1 ARG 36 -5.314 41.882 10.330 296 HE ARG 36 HE ARG 36 -3.289 40.353 10.358 297 HH11 ARG 36 HH11 ARG 36 -3.747 42.926 12.680 298 HH12 ARG 36 HH12 ARG 36 -2.791 42.158 13.906 299 HH21 ARG 36 HH21 ARG 36 -2.065 39.326 11.995 300 HH22 ARG 36 HH22 ARG 36 -1.879 40.103 13.537 301 H TYR 37 HN TYR 37 -5.563 42.432 5.580 302 HA TYR 37 HA TYR 37 -4.811 45.220 5.080 303 HB2 TYR 37 HB2 TYR 37 -7.312 43.667 4.344 304 HB3 TYR 37 HB1 TYR 37 -6.989 45.336 3.900 305 HD1 TYR 37 HD1 TYR 37 -5.367 45.869 2.146 306 HD2 TYR 37 HD2 TYR 37 -6.202 41.826 3.208 307 HE1 TYR 37 HE1 TYR 37 -4.303 45.105 0.067 308 HE2 TYR 37 HE2 TYR 37 -5.135 41.061 1.130 309 HH TYR 37 HH TYR 37 -4.562 41.876 -1.058 310 H SER 38 HN SER 38 -6.103 46.934 5.955 311 HA SER 38 HA SER 38 -8.183 46.235 7.875 312 HB2 SER 38 HB2 SER 38 -5.983 46.385 9.134 313 HB3 SER 38 HB1 SER 38 -5.926 48.088 8.683 314 HG SER 38 HG SER 38 -7.823 46.755 10.315 315 H CYS 39 HN CYS 39 -9.486 48.129 8.483 316 HA CYS 39 HA CYS 39 -9.255 50.366 6.591 317 HB2 CYS 39 HB2 CYS 39 -10.900 48.887 5.645 318 HB3 CYS 39 HB1 CYS 39 -11.740 48.763 7.182 319 H GLY 40 HN GLY 40 -8.474 51.683 8.288 320 HA2 GLY 40 HA2 GLY 40 -9.994 52.294 10.608 321 HA3 GLY 40 HA1 GLY 40 -8.774 53.326 9.867 322 H ARG 41 HN ARG 41 -12.108 52.281 9.607 323 HA ARG 41 HA ARG 41 -13.198 54.810 9.080 324 HB2 ARG 41 HB2 ARG 41 -12.098 54.561 6.887 325 HB3 ARG 41 HB1 ARG 41 -12.907 53.022 6.642 326 HG2 ARG 41 HG2 ARG 41 -13.990 54.766 5.357 327 HG3 ARG 41 HG1 ARG 41 -15.077 54.167 6.609 328 HD2 ARG 41 HD2 ARG 41 -14.521 56.112 8.008 329 HD3 ARG 41 HD1 ARG 41 -13.449 56.711 6.741 330 HE ARG 41 HE ARG 41 -15.869 56.383 5.507 331 HH11 ARG 41 HH11 ARG 41 -14.730 58.221 8.264 332 HH12 ARG 41 HH12 ARG 41 -15.930 59.459 8.089 333 HH21 ARG 41 HH21 ARG 41 -17.456 58.021 5.292 334 HH22 ARG 41 HH22 ARG 41 -17.476 59.342 6.422 335 H CYS 42 HN CYS 42 -13.450 51.315 8.638 336 HA CYS 42 HA CYS 42 -15.971 51.377 10.094 337 HB2 CYS 42 HB2 CYS 42 -17.217 50.045 8.554 338 HB3 CYS 42 HB1 CYS 42 -16.547 51.384 7.633 339 H GLY 43 HN GLY 43 -12.984 50.322 10.045 340 HA2 GLY 43 HA2 GLY 43 -11.978 48.803 11.438 341 HA3 GLY 43 HA1 GLY 43 -13.569 48.231 11.906 342 H TYR 44 HN TYR 44 -13.351 48.111 8.568 343 HA TYR 44 HA TYR 44 -13.491 45.302 8.527 344 HB2 TYR 44 HB2 TYR 44 -14.460 46.665 6.721 345 HB3 TYR 44 HB1 TYR 44 -12.848 47.173 6.223 346 HD1 TYR 44 HD1 TYR 44 -14.712 43.979 6.863 347 HD2 TYR 44 HD2 TYR 44 -11.920 46.056 4.401 348 HE1 TYR 44 HE1 TYR 44 -14.568 42.022 5.384 349 HE2 TYR 44 HE2 TYR 44 -11.777 44.098 2.912 350 HH TYR 44 HH TYR 44 -12.165 41.692 2.977 351 H THR 45 HN THR 45 -11.893 44.026 9.115 352 HA THR 45 HA THR 45 -9.179 44.541 8.088 353 HB THR 45 HB THR 45 -9.877 43.391 10.808 354 HG1 THR 45 HG1 THR 45 -10.312 45.611 10.773 355 HG21 THR 45 HG21 THR 45 -7.475 43.632 11.269 356 HG22 THR 45 HG22 THR 45 -7.212 44.201 9.620 357 HG23 THR 45 HG23 THR 45 -7.754 42.548 9.907 358 H GLU 46 HN GLU 46 -8.535 42.958 6.799 359 HA GLU 46 HA GLU 46 -9.590 40.220 7.173 360 HB2 GLU 46 HB2 GLU 46 -10.560 41.232 5.159 361 HB3 GLU 46 HB1 GLU 46 -8.959 41.675 4.583 362 HG2 GLU 46 HG2 GLU 46 -8.430 39.187 4.603 363 HG3 GLU 46 HG1 GLU 46 -10.160 38.930 4.814 364 H PHE 47 HN PHE 47 -8.061 38.578 7.079 365 HA PHE 47 HA PHE 47 -5.293 39.349 7.285 366 HB2 PHE 47 HB2 PHE 47 -6.688 36.667 7.368 367 HB3 PHE 47 HB1 PHE 47 -4.936 36.825 7.455 368 HD1 PHE 47 HD2 PHE 47 -3.971 38.281 9.320 369 HD2 PHE 47 HD1 PHE 47 -7.988 36.864 9.306 370 HE1 PHE 47 HE2 PHE 47 -4.116 38.667 11.747 371 HE2 PHE 47 HE1 PHE 47 -8.139 37.252 11.730 372 HZ PHE 47 HZ PHE 47 -6.201 38.155 12.954 373 H LYS 48 HN LYS 48 -3.649 38.984 5.848 374 HA LYS 48 HA LYS 48 -4.137 39.091 3.109 375 HB2 LYS 48 HB2 LYS 48 -1.740 38.501 4.789 376 HB3 LYS 48 HB1 LYS 48 -1.641 38.096 3.083 377 HG2 LYS 48 HG2 LYS 48 -2.411 40.837 4.068 378 HG3 LYS 48 HG1 LYS 48 -0.742 40.351 3.750 379 HD2 LYS 48 HD2 LYS 48 -1.407 39.771 1.422 380 HD3 LYS 48 HD1 LYS 48 -3.020 40.399 1.759 381 HE2 LYS 48 HE2 LYS 48 -2.098 42.614 2.173 382 HE3 LYS 48 HE1 LYS 48 -0.462 41.998 1.943 383 HZ1 LYS 48 HZ1 LYS 48 -1.351 43.146 -0.029 384 HZ2 LYS 48 HZ2 LYS 48 -2.572 41.984 -0.149 385 HZ3 LYS 48 HZ3 LYS 48 -0.960 41.531 -0.347 386 H LYS 49 HN LYS 49 -5.372 37.563 2.148 387 HA LYS 49 HA LYS 49 -5.207 34.794 2.746 388 HB2 LYS 49 HB2 LYS 49 -6.404 36.191 0.346 389 HB3 LYS 49 HB1 LYS 49 -6.622 34.490 0.728 390 HG2 LYS 49 HG2 LYS 49 -7.503 36.764 2.510 391 HG3 LYS 49 HG1 LYS 49 -8.546 35.943 1.352 392 HD2 LYS 49 HD2 LYS 49 -9.062 34.860 3.343 393 HD3 LYS 49 HD1 LYS 49 -7.865 33.779 2.632 394 HE2 LYS 49 HE2 LYS 49 -6.127 34.799 4.058 395 HE3 LYS 49 HE1 LYS 49 -7.344 35.856 4.770 396 HZ1 LYS 49 HZ1 LYS 49 -6.877 33.935 6.165 397 HZ2 LYS 49 HZ2 LYS 49 -7.341 32.891 4.919 398 HZ3 LYS 49 HZ3 LYS 49 -8.483 33.917 5.629 399 H ALA 50 HN ALA 50 -3.130 34.127 2.584 400 HA ALA 50 HA ALA 50 -1.814 34.280 -0.055 401 HB1 ALA 50 HB1 ALA 50 -0.567 35.337 1.770 402 HB2 ALA 50 HB2 ALA 50 0.286 33.924 1.148 403 HB3 ALA 50 HB3 ALA 50 -0.596 33.820 2.671 404 H LYS 51 HN LYS 51 -3.892 32.371 0.842 405 HA LYS 51 HA LYS 51 -2.935 29.821 1.375 406 HB2 LYS 51 HB2 LYS 51 -5.339 30.451 1.289 407 HB3 LYS 51 HB1 LYS 51 -5.228 30.594 -0.456 408 HG2 LYS 51 HG2 LYS 51 -6.161 28.518 -0.276 409 HG3 LYS 51 HG1 LYS 51 -4.455 28.083 -0.310 410 HD2 LYS 51 HD2 LYS 51 -6.089 28.422 2.213 411 HD3 LYS 51 HD1 LYS 51 -5.780 26.876 1.428 412 HE2 LYS 51 HE2 LYS 51 -3.360 27.209 1.771 413 HE3 LYS 51 HE1 LYS 51 -3.701 28.734 2.586 414 HZ1 LYS 51 HZ1 LYS 51 -4.932 27.516 4.271 415 HZ2 LYS 51 HZ2 LYS 51 -3.342 26.957 4.167 416 HZ3 LYS 51 HZ3 LYS 51 -4.603 26.053 3.487 417 H LYS 52 HN LYS 52 -3.121 31.617 -1.612 418 HA LYS 52 HA LYS 52 -2.265 31.374 -3.674 419 HB2 LYS 52 HB2 LYS 52 -0.163 31.458 -2.336 420 HB3 LYS 52 HB1 LYS 52 -0.145 29.700 -2.318 421 HG2 LYS 52 HG2 LYS 52 0.091 29.637 -4.728 422 HG3 LYS 52 HG1 LYS 52 -0.059 31.393 -4.813 423 HD2 LYS 52 HD2 LYS 52 2.270 30.781 -4.997 424 HD3 LYS 52 HD1 LYS 52 2.004 31.600 -3.457 425 HE2 LYS 52 HE2 LYS 52 1.921 29.415 -2.327 426 HE3 LYS 52 HE1 LYS 52 2.215 28.614 -3.871 427 HZ1 LYS 52 HZ1 LYS 52 4.337 29.800 -4.006 428 HZ2 LYS 52 HZ2 LYS 52 4.254 28.812 -2.638 429 HZ3 LYS 52 HZ3 LYS 52 4.056 30.484 -2.485 430 H SER 53 HN SER 53 -3.988 30.229 -4.490 431 HA SER 53 HA SER 53 -3.357 27.480 -5.253 432 HB2 SER 53 HB2 SER 53 -6.043 28.319 -4.105 433 HB3 SER 53 HB1 SER 53 -5.638 26.718 -4.727 434 HG SER 53 HG SER 53 -3.792 27.222 -2.965 435 H LYS 54 HN LYS 54 -5.483 26.872 -6.790 436 HA LYS 54 HA LYS 54 -5.149 28.600 -9.032 437 HB2 LYS 54 HB2 LYS 54 -7.002 26.257 -8.539 438 HB3 LYS 54 HB1 LYS 54 -6.943 27.129 -10.065 439 HG2 LYS 54 HG2 LYS 54 -5.624 25.132 -10.250 440 HG3 LYS 54 HG1 LYS 54 -4.547 26.528 -10.279 441 HD2 LYS 54 HD2 LYS 54 -4.052 26.152 -7.882 442 HD3 LYS 54 HD1 LYS 54 -5.085 24.721 -7.911 443 HE2 LYS 54 HE2 LYS 54 -3.611 23.735 -9.634 444 HE3 LYS 54 HE1 LYS 54 -2.563 25.149 -9.522 445 HZ1 LYS 54 HZ1 LYS 54 -2.101 24.608 -7.232 446 HZ2 LYS 54 HZ2 LYS 54 -1.758 23.268 -8.206 447 HZ3 LYS 54 HZ3 LYS 54 -3.171 23.298 -7.282 448 H SER 55 HN SER 55 -6.156 30.433 -9.394 449 HA SER 55 HA SER 55 -7.628 32.147 -9.345 450 HB2 SER 55 HB2 SER 55 -9.593 30.161 -8.159 451 HB3 SER 55 HB1 SER 55 -9.993 31.775 -8.746 452 HG SER 55 HG SER 55 -8.629 30.272 -10.585 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 38.473 56.304 4.841 2 H2 MET 1 HT2 MET 1 38.167 57.061 3.358 3 H3 MET 1 HT3 MET 1 38.374 55.386 3.420 4 HA MET 1 HA MET 1 36.380 55.118 4.690 5 HB2 MET 1 HB2 MET 1 34.911 57.000 5.162 6 HB3 MET 1 HB1 MET 1 36.493 57.305 5.860 7 HG2 MET 1 HG2 MET 1 37.037 58.777 3.972 8 HG3 MET 1 HG1 MET 1 35.436 58.481 3.294 9 HE1 MET 1 HE1 MET 1 35.058 62.165 4.478 10 HE2 MET 1 HE2 MET 1 34.809 61.024 3.156 11 HE3 MET 1 HE3 MET 1 36.444 61.404 3.700 12 H GLN 2 HN GLN 2 34.692 54.406 3.464 13 HA GLN 2 HA GLN 2 33.739 55.722 1.144 14 HB2 GLN 2 HB2 GLN 2 35.944 54.840 0.306 15 HB3 GLN 2 HB1 GLN 2 35.349 53.212 0.603 16 HG2 GLN 2 HG2 GLN 2 33.623 53.479 -1.050 17 HG3 GLN 2 HG1 GLN 2 34.025 55.186 -1.253 18 HE21 GLN 2 HE21 GLN 2 35.935 55.749 -2.323 19 HE22 GLN 2 HE22 GLN 2 36.761 54.637 -3.359 20 H LYS 3 HN LYS 3 31.826 55.345 2.264 21 HA LYS 3 HA LYS 3 30.979 52.629 2.832 22 HB2 LYS 3 HB2 LYS 3 29.067 53.568 3.905 23 HB3 LYS 3 HB1 LYS 3 30.438 54.565 4.360 24 HG2 LYS 3 HG2 LYS 3 28.427 55.274 2.220 25 HG3 LYS 3 HG1 LYS 3 28.386 55.860 3.882 26 HD2 LYS 3 HD2 LYS 3 30.542 56.966 3.559 27 HD3 LYS 3 HD1 LYS 3 30.629 56.342 1.912 28 HE2 LYS 3 HE2 LYS 3 29.903 58.653 1.891 29 HE3 LYS 3 HE1 LYS 3 28.597 57.607 1.341 30 HZ1 LYS 3 HZ1 LYS 3 27.591 57.767 3.523 31 HZ2 LYS 3 HZ2 LYS 3 27.812 59.307 2.862 32 HZ3 LYS 3 HZ3 LYS 3 28.857 58.748 4.070 33 H ARG 4 HN ARG 4 29.612 51.424 1.633 34 HA ARG 4 HA ARG 4 28.337 52.698 -0.710 35 HB2 ARG 4 HB2 ARG 4 29.372 49.865 -0.440 36 HB3 ARG 4 HB1 ARG 4 28.500 50.493 -1.832 37 HG2 ARG 4 HG2 ARG 4 30.311 52.106 -2.231 38 HG3 ARG 4 HG1 ARG 4 31.189 51.449 -0.845 39 HD2 ARG 4 HD2 ARG 4 30.411 49.937 -3.342 40 HD3 ARG 4 HD1 ARG 4 32.027 50.524 -2.947 41 HE ARG 4 HE ARG 4 31.837 49.005 -0.937 42 HH11 ARG 4 HH11 ARG 4 30.174 48.332 -3.947 43 HH12 ARG 4 HH12 ARG 4 30.147 46.616 -3.691 44 HH21 ARG 4 HH21 ARG 4 31.818 46.752 -0.608 45 HH22 ARG 4 HH22 ARG 4 31.089 45.720 -1.796 46 H GLU 5 HN GLU 5 26.257 52.955 -0.249 47 HA GLU 5 HA GLU 5 24.829 51.261 1.576 48 HB2 GLU 5 HB2 GLU 5 23.807 53.388 -0.326 49 HB3 GLU 5 HB1 GLU 5 22.889 52.657 0.984 50 HG2 GLU 5 HG2 GLU 5 24.354 53.636 2.627 51 HG3 GLU 5 HG1 GLU 5 25.414 54.260 1.363 52 H LEU 6 HN LEU 6 24.643 51.906 -1.908 53 HA LEU 6 HA LEU 6 23.878 50.715 -3.673 54 HB2 LEU 6 HB2 LEU 6 24.670 48.386 -1.916 55 HB3 LEU 6 HB1 LEU 6 24.335 48.277 -3.634 56 HG LEU 6 HG LEU 6 26.595 49.848 -2.375 57 HD11 LEU 6 HD11 LEU 6 26.951 47.444 -2.252 58 HD12 LEU 6 HD12 LEU 6 28.052 48.187 -3.413 59 HD13 LEU 6 HD13 LEU 6 26.640 47.295 -3.981 60 HD21 LEU 6 HD21 LEU 6 25.919 49.412 -5.286 61 HD22 LEU 6 HD22 LEU 6 27.372 50.202 -4.669 62 HD23 LEU 6 HD23 LEU 6 25.788 50.932 -4.400 63 H TYR 7 HN TYR 7 22.511 48.278 -3.901 64 HA TYR 7 HA TYR 7 20.113 48.572 -2.272 65 HB2 TYR 7 HB2 TYR 7 18.668 48.629 -4.342 66 HB3 TYR 7 HB1 TYR 7 19.583 50.099 -4.036 67 HD1 TYR 7 HD2 TYR 7 21.706 50.503 -5.378 68 HD2 TYR 7 HD1 TYR 7 18.893 47.472 -6.405 69 HE1 TYR 7 HE2 TYR 7 22.643 50.407 -7.647 70 HE2 TYR 7 HE1 TYR 7 19.824 47.371 -8.676 71 HH TYR 7 HH TYR 7 21.100 48.682 -10.206 72 H GLU 8 HN GLU 8 20.496 46.559 -1.449 73 HA GLU 8 HA GLU 8 20.444 44.270 -3.275 74 HB2 GLU 8 HB2 GLU 8 20.888 44.484 -0.284 75 HB3 GLU 8 HB1 GLU 8 20.754 42.949 -1.129 76 HG2 GLU 8 HG2 GLU 8 23.075 43.503 -0.731 77 HG3 GLU 8 HG1 GLU 8 22.734 43.502 -2.459 78 H ILE 9 HN ILE 9 18.809 42.724 -3.207 79 HA ILE 9 HA ILE 9 16.738 41.855 -2.977 80 HB ILE 9 HB ILE 9 16.608 43.503 -0.439 81 HG12 ILE 9 HG12 ILE 9 18.400 41.845 -0.381 82 HG13 ILE 9 HG11 ILE 9 17.093 41.343 0.685 83 HG21 ILE 9 HG21 ILE 9 14.760 42.008 0.221 84 HG22 ILE 9 HG22 ILE 9 14.797 41.269 -1.381 85 HG23 ILE 9 HG23 ILE 9 14.362 42.970 -1.202 86 HD11 ILE 9 HD11 ILE 9 17.651 40.275 -2.073 87 HD12 ILE 9 HD12 ILE 9 16.308 39.787 -1.039 88 HD13 ILE 9 HD13 ILE 9 17.969 39.459 -0.542 89 H ALA 10 HN ALA 10 15.698 42.617 -4.695 90 HA ALA 10 HA ALA 10 13.814 44.807 -4.296 91 HB1 ALA 10 HB1 ALA 10 15.782 45.899 -5.277 92 HB2 ALA 10 HB2 ALA 10 14.427 45.900 -6.407 93 HB3 ALA 10 HB3 ALA 10 15.753 44.757 -6.620 94 H ASP 11 HN ASP 11 13.915 41.803 -4.695 95 HA ASP 11 HA ASP 11 12.686 41.349 -7.269 96 HB2 ASP 11 HB2 ASP 11 14.121 39.621 -6.308 97 HB3 ASP 11 HB1 ASP 11 13.077 39.505 -4.893 98 H GLY 12 HN GLY 12 11.620 41.074 -3.886 99 HA2 GLY 12 HA2 GLY 12 8.888 40.589 -4.544 100 HA3 GLY 12 HA1 GLY 12 9.522 40.995 -2.956 101 H LYS 13 HN LYS 13 8.532 42.347 -6.050 102 HA LYS 13 HA LYS 13 8.329 45.028 -4.882 103 HB2 LYS 13 HB2 LYS 13 8.007 44.080 -7.745 104 HB3 LYS 13 HB1 LYS 13 7.988 45.761 -7.218 105 HG2 LYS 13 HG2 LYS 13 10.294 45.633 -6.534 106 HG3 LYS 13 HG1 LYS 13 10.335 43.899 -6.856 107 HD2 LYS 13 HD2 LYS 13 11.420 45.158 -8.651 108 HD3 LYS 13 HD1 LYS 13 9.980 44.323 -9.239 109 HE2 LYS 13 HE2 LYS 13 8.707 46.401 -9.100 110 HE3 LYS 13 HE1 LYS 13 10.125 47.242 -8.474 111 HZ1 LYS 13 HZ1 LYS 13 10.008 45.919 -11.131 112 HZ2 LYS 13 HZ2 LYS 13 11.251 46.901 -10.535 113 HZ3 LYS 13 HZ3 LYS 13 9.737 47.568 -10.877 114 H LEU 14 HN LEU 14 6.372 46.237 -5.026 115 HA LEU 14 HA LEU 14 4.026 44.588 -4.620 116 HB2 LEU 14 HB2 LEU 14 4.465 47.571 -4.393 117 HB3 LEU 14 HB1 LEU 14 2.912 46.803 -4.127 118 HG LEU 14 HG LEU 14 3.956 45.476 -2.266 119 HD11 LEU 14 HD11 LEU 14 6.069 46.257 -1.314 120 HD12 LEU 14 HD12 LEU 14 6.283 47.355 -2.678 121 HD13 LEU 14 HD13 LEU 14 6.289 45.610 -2.939 122 HD21 LEU 14 HD21 LEU 14 2.615 47.465 -1.821 123 HD22 LEU 14 HD22 LEU 14 4.047 48.484 -1.986 124 HD23 LEU 14 HD23 LEU 14 3.936 47.322 -0.662 125 H VAL 15 HN VAL 15 3.451 43.766 -6.598 126 HA VAL 15 HA VAL 15 2.679 45.729 -8.663 127 HB VAL 15 HB VAL 15 4.506 44.358 -9.471 128 HG11 VAL 15 HG11 VAL 15 4.316 41.923 -9.700 129 HG12 VAL 15 HG12 VAL 15 2.771 41.965 -8.849 130 HG13 VAL 15 HG13 VAL 15 4.252 42.425 -8.009 131 HG21 VAL 15 HG21 VAL 15 2.786 44.988 -11.084 132 HG22 VAL 15 HG22 VAL 15 1.884 43.514 -10.721 133 HG23 VAL 15 HG23 VAL 15 3.473 43.414 -11.484 134 H ARG 16 HN ARG 16 0.616 45.817 -9.218 135 HA ARG 16 HA ARG 16 -1.500 45.225 -9.769 136 HB2 ARG 16 HB2 ARG 16 -0.488 43.104 -10.592 137 HB3 ARG 16 HB1 ARG 16 -0.731 42.394 -9.005 138 HG2 ARG 16 HG2 ARG 16 -3.103 43.508 -10.436 139 HG3 ARG 16 HG1 ARG 16 -2.421 41.982 -10.994 140 HD2 ARG 16 HD2 ARG 16 -2.632 41.116 -8.658 141 HD3 ARG 16 HD1 ARG 16 -3.473 42.604 -8.232 142 HE ARG 16 HE ARG 16 -5.200 41.953 -9.865 143 HH11 ARG 16 HH11 ARG 16 -3.049 39.462 -8.657 144 HH12 ARG 16 HH12 ARG 16 -4.186 38.179 -8.933 145 HH21 ARG 16 HH21 ARG 16 -6.684 40.258 -10.229 146 HH22 ARG 16 HH22 ARG 16 -6.241 38.624 -9.837 147 H LYS 17 HN LYS 17 -0.164 44.667 -6.687 148 HA LYS 17 HA LYS 17 -2.492 43.870 -5.277 149 HB2 LYS 17 HB2 LYS 17 -0.095 45.360 -4.184 150 HB3 LYS 17 HB1 LYS 17 -1.267 44.435 -3.256 151 HG2 LYS 17 HG2 LYS 17 -0.514 42.390 -4.478 152 HG3 LYS 17 HG1 LYS 17 0.757 43.367 -5.220 153 HD2 LYS 17 HD2 LYS 17 1.544 43.951 -2.912 154 HD3 LYS 17 HD1 LYS 17 0.373 42.795 -2.275 155 HE2 LYS 17 HE2 LYS 17 2.715 42.211 -4.085 156 HE3 LYS 17 HE1 LYS 17 2.538 41.741 -2.397 157 HZ1 LYS 17 HZ1 LYS 17 0.875 40.774 -4.658 158 HZ2 LYS 17 HZ2 LYS 17 0.669 40.335 -3.039 159 HZ3 LYS 17 HZ3 LYS 17 2.077 39.895 -3.859 160 H HIS 18 HN HIS 18 -4.218 45.196 -5.816 161 HA HIS 18 HA HIS 18 -4.411 47.519 -4.147 162 HB2 HIS 18 HB2 HIS 18 -5.075 49.123 -5.905 163 HB3 HIS 18 HB1 HIS 18 -3.403 48.611 -6.077 164 HD1 HIS 18 HD1 HIS 18 -6.741 48.423 -7.754 165 HD2 HIS 18 HD2 HIS 18 -2.837 47.159 -8.409 166 HE1 HIS 18 HE1 HIS 18 -6.660 47.700 -10.159 167 HE2 HIS 18 HE2 HIS 18 -4.249 47.095 -10.574 168 H ARG 19 HN ARG 19 -6.099 46.603 -3.117 169 HA ARG 19 HA ARG 19 -8.621 46.598 -4.625 170 HB2 ARG 19 HB2 ARG 19 -7.876 44.547 -2.517 171 HB3 ARG 19 HB1 ARG 19 -9.457 44.705 -3.269 172 HG2 ARG 19 HG2 ARG 19 -8.285 44.268 -5.484 173 HG3 ARG 19 HG1 ARG 19 -6.879 43.799 -4.526 174 HD2 ARG 19 HD2 ARG 19 -8.106 41.812 -5.073 175 HD3 ARG 19 HD1 ARG 19 -8.324 42.130 -3.350 176 HE ARG 19 HE ARG 19 -10.365 43.040 -5.265 177 HH11 ARG 19 HH11 ARG 19 -9.469 40.928 -2.613 178 HH12 ARG 19 HH12 ARG 19 -11.105 40.458 -2.277 179 HH21 ARG 19 HH21 ARG 19 -12.500 42.394 -4.835 180 HH22 ARG 19 HH22 ARG 19 -12.818 41.285 -3.535 181 H PHE 20 HN PHE 20 -9.644 48.313 -3.848 182 HA PHE 20 HA PHE 20 -9.159 49.362 -1.236 183 HB2 PHE 20 HB2 PHE 20 -11.302 50.076 -3.255 184 HB3 PHE 20 HB1 PHE 20 -10.918 51.004 -1.809 185 HD1 PHE 20 HD1 PHE 20 -8.206 51.432 -1.651 186 HD2 PHE 20 HD2 PHE 20 -10.509 51.003 -5.209 187 HE1 PHE 20 HE1 PHE 20 -6.517 52.714 -2.894 188 HE2 PHE 20 HE2 PHE 20 -8.818 52.281 -6.457 189 HZ PHE 20 HZ PHE 20 -6.820 53.139 -5.301 190 H CYS 21 HN CYS 21 -11.057 49.898 0.217 191 HA CYS 21 HA CYS 21 -12.178 47.455 1.133 192 HB2 CYS 21 HB2 CYS 21 -11.573 49.263 2.647 193 HB3 CYS 21 HB1 CYS 21 -12.754 50.324 1.893 194 HA PRO 22 HA PRO 22 -15.545 46.823 -1.626 195 HB2 PRO 22 HB2 PRO 22 -17.132 46.300 0.847 196 HB3 PRO 22 HB1 PRO 22 -16.972 45.328 -0.618 197 HG2 PRO 22 HG2 PRO 22 -15.661 44.813 1.724 198 HG3 PRO 22 HG1 PRO 22 -15.089 44.288 0.132 199 HD2 PRO 22 HD2 PRO 22 -13.945 46.270 1.928 200 HD3 PRO 22 HD1 PRO 22 -13.265 45.600 0.434 201 H ARG 23 HN ARG 23 -16.487 48.490 1.400 202 HA ARG 23 HA ARG 23 -18.585 49.884 -0.054 203 HB2 ARG 23 HB2 ARG 23 -17.987 49.921 2.910 204 HB3 ARG 23 HB1 ARG 23 -19.427 50.563 2.127 205 HG2 ARG 23 HG2 ARG 23 -19.913 48.226 1.326 206 HG3 ARG 23 HG1 ARG 23 -18.593 47.673 2.361 207 HD2 ARG 23 HD2 ARG 23 -20.655 47.392 3.557 208 HD3 ARG 23 HD1 ARG 23 -19.765 48.723 4.300 209 HE ARG 23 HE ARG 23 -21.631 49.583 2.289 210 HH11 ARG 23 HH11 ARG 23 -21.266 48.773 5.671 211 HH12 ARG 23 HH12 ARG 23 -22.679 49.653 6.159 212 HH21 ARG 23 HH21 ARG 23 -23.488 50.732 2.923 213 HH22 ARG 23 HH22 ARG 23 -23.953 50.747 4.599 214 H CYS 24 HN CYS 24 -15.839 50.762 2.080 215 HA CYS 24 HA CYS 24 -16.198 53.576 1.622 216 HB2 CYS 24 HB2 CYS 24 -13.631 52.409 2.659 217 HB3 CYS 24 HB1 CYS 24 -14.382 53.944 3.055 218 H GLY 25 HN GLY 25 -15.141 51.300 -0.454 219 HA2 GLY 25 HA2 GLY 25 -12.639 51.675 -1.345 220 HA3 GLY 25 HA1 GLY 25 -13.976 51.393 -2.441 221 HA PRO 26 HA PRO 26 -13.539 55.404 -4.237 222 HB2 PRO 26 HB2 PRO 26 -16.275 56.277 -3.516 223 HB3 PRO 26 HB1 PRO 26 -15.554 56.041 -5.112 224 HG2 PRO 26 HG2 PRO 26 -17.392 54.339 -4.131 225 HG3 PRO 26 HG1 PRO 26 -16.050 53.778 -5.148 226 HD2 PRO 26 HD2 PRO 26 -16.362 53.630 -2.164 227 HD3 PRO 26 HD1 PRO 26 -15.717 52.416 -3.292 228 H GLY 27 HN GLY 27 -12.057 56.004 -2.483 229 HA2 GLY 27 HA2 GLY 27 -11.702 58.380 -1.765 230 HA3 GLY 27 HA1 GLY 27 -13.185 58.199 -0.842 231 H VAL 28 HN VAL 28 -12.343 55.364 -0.142 232 HA VAL 28 HA VAL 28 -10.221 56.041 1.803 233 HB VAL 28 HB VAL 28 -12.575 54.237 2.412 234 HG11 VAL 28 HG11 VAL 28 -11.772 54.411 4.745 235 HG12 VAL 28 HG12 VAL 28 -10.387 55.347 4.180 236 HG13 VAL 28 HG13 VAL 28 -10.582 53.669 3.672 237 HG21 VAL 28 HG21 VAL 28 -12.120 57.096 3.295 238 HG22 VAL 28 HG22 VAL 28 -13.404 56.035 3.874 239 HG23 VAL 28 HG23 VAL 28 -13.371 56.534 2.184 240 H PHE 29 HN PHE 29 -8.521 54.901 1.293 241 HA PHE 29 HA PHE 29 -8.538 52.585 -0.325 242 HB2 PHE 29 HB2 PHE 29 -6.128 52.500 0.122 243 HB3 PHE 29 HB1 PHE 29 -6.634 54.145 -0.241 244 HD1 PHE 29 HD1 PHE 29 -6.930 55.774 1.668 245 HD2 PHE 29 HD2 PHE 29 -5.054 51.979 2.163 246 HE1 PHE 29 HE1 PHE 29 -5.900 56.556 3.760 247 HE2 PHE 29 HE2 PHE 29 -4.023 52.762 4.255 248 HZ PHE 29 HZ PHE 29 -4.448 55.050 5.055 249 H LEU 30 HN LEU 30 -7.282 50.579 0.405 250 HA LEU 30 HA LEU 30 -8.158 49.737 3.092 251 HB2 LEU 30 HB2 LEU 30 -9.149 48.502 1.131 252 HB3 LEU 30 HB1 LEU 30 -7.531 47.975 0.707 253 HG LEU 30 HG LEU 30 -7.372 46.778 2.878 254 HD11 LEU 30 HD11 LEU 30 -10.259 47.598 3.205 255 HD12 LEU 30 HD12 LEU 30 -8.901 48.139 4.191 256 HD13 LEU 30 HD13 LEU 30 -9.393 46.447 4.221 257 HD21 LEU 30 HD21 LEU 30 -8.915 44.962 2.306 258 HD22 LEU 30 HD22 LEU 30 -8.097 45.586 0.874 259 HD23 LEU 30 HD23 LEU 30 -9.770 46.036 1.196 260 H ALA 31 HN ALA 31 -6.499 49.786 4.471 261 HA ALA 31 HA ALA 31 -3.825 50.168 3.670 262 HB1 ALA 31 HB1 ALA 31 -3.286 50.021 6.046 263 HB2 ALA 31 HB2 ALA 31 -4.889 49.363 6.380 264 HB3 ALA 31 HB3 ALA 31 -4.719 51.015 5.785 265 H GLU 32 HN GLU 32 -3.031 48.528 2.409 266 HA GLU 32 HA GLU 32 -3.209 45.773 3.242 267 HB2 GLU 32 HB2 GLU 32 -3.208 46.205 0.862 268 HB3 GLU 32 HB1 GLU 32 -1.695 47.100 0.977 269 HG2 GLU 32 HG2 GLU 32 -0.530 45.052 1.647 270 HG3 GLU 32 HG1 GLU 32 -2.039 44.152 1.533 271 H HIS 33 HN HIS 33 -1.988 44.990 4.789 272 HA HIS 33 HA HIS 33 0.855 45.773 4.915 273 HB2 HIS 33 HB2 HIS 33 -0.984 44.898 7.166 274 HB3 HIS 33 HB1 HIS 33 0.759 45.070 7.329 275 HD1 HIS 33 HD1 HIS 33 1.724 47.478 7.332 276 HD2 HIS 33 HD2 HIS 33 -2.427 47.283 7.175 277 HE1 HIS 33 HE1 HIS 33 0.918 49.800 7.856 278 HE2 HIS 33 HE2 HIS 33 -1.577 49.701 7.554 279 H ALA 34 HN ALA 34 2.313 44.023 5.497 280 HA ALA 34 HA ALA 34 1.888 41.686 4.002 281 HB1 ALA 34 HB1 ALA 34 3.942 40.853 5.040 282 HB2 ALA 34 HB2 ALA 34 3.861 42.133 6.250 283 HB3 ALA 34 HB3 ALA 34 4.123 42.539 4.553 284 H ASP 35 HN ASP 35 1.106 42.511 7.272 285 HA ASP 35 HA ASP 35 0.562 39.843 8.180 286 HB2 ASP 35 HB2 ASP 35 -0.325 42.545 9.237 287 HB3 ASP 35 HB1 ASP 35 -0.608 41.017 10.060 288 H ARG 36 HN ARG 36 -1.357 42.521 6.857 289 HA ARG 36 HA ARG 36 -3.510 41.000 5.943 290 HB2 ARG 36 HB2 ARG 36 -5.196 41.363 7.666 291 HB3 ARG 36 HB1 ARG 36 -3.833 40.484 8.345 292 HG2 ARG 36 HG2 ARG 36 -2.982 42.717 9.185 293 HG3 ARG 36 HG1 ARG 36 -4.557 43.379 8.740 294 HD2 ARG 36 HD2 ARG 36 -5.604 41.620 10.195 295 HD3 ARG 36 HD1 ARG 36 -3.982 41.195 10.743 296 HE ARG 36 HE ARG 36 -4.970 43.946 11.062 297 HH11 ARG 36 HH11 ARG 36 -3.758 40.976 12.479 298 HH12 ARG 36 HH12 ARG 36 -3.698 41.629 14.089 299 HH21 ARG 36 HH21 ARG 36 -4.862 44.804 13.150 300 HH22 ARG 36 HH22 ARG 36 -4.313 43.816 14.467 301 H TYR 37 HN TYR 37 -5.514 42.392 5.643 302 HA TYR 37 HA TYR 37 -4.774 45.138 4.943 303 HB2 TYR 37 HB2 TYR 37 -7.373 43.727 4.289 304 HB3 TYR 37 HB1 TYR 37 -6.674 45.132 3.495 305 HD1 TYR 37 HD2 TYR 37 -6.519 41.473 3.836 306 HD2 TYR 37 HD1 TYR 37 -4.981 44.870 1.775 307 HE1 TYR 37 HE2 TYR 37 -5.518 39.992 2.151 308 HE2 TYR 37 HE1 TYR 37 -3.981 43.393 0.084 309 HH TYR 37 HH TYR 37 -4.768 40.117 -0.207 310 H SER 38 HN SER 38 -5.826 46.900 5.887 311 HA SER 38 HA SER 38 -7.958 46.329 7.829 312 HB2 SER 38 HB2 SER 38 -5.676 46.526 8.958 313 HB3 SER 38 HB1 SER 38 -5.680 48.221 8.468 314 HG SER 38 HG SER 38 -7.091 48.654 9.984 315 H CYS 39 HN CYS 39 -9.213 48.252 8.421 316 HA CYS 39 HA CYS 39 -9.006 50.513 6.555 317 HB2 CYS 39 HB2 CYS 39 -10.579 48.984 5.496 318 HB3 CYS 39 HB1 CYS 39 -11.498 48.854 6.977 319 H GLY 40 HN GLY 40 -8.939 52.274 7.867 320 HA2 GLY 40 HA2 GLY 40 -10.413 52.559 10.270 321 HA3 GLY 40 HA1 GLY 40 -9.841 53.877 9.252 322 H ARG 41 HN ARG 41 -12.177 54.418 10.282 323 HA ARG 41 HA ARG 41 -14.202 55.220 9.700 324 HB2 ARG 41 HB2 ARG 41 -13.415 54.141 7.009 325 HB3 ARG 41 HB1 ARG 41 -15.051 54.711 7.290 326 HG2 ARG 41 HG2 ARG 41 -13.764 56.470 6.288 327 HG3 ARG 41 HG1 ARG 41 -14.147 56.913 7.949 328 HD2 ARG 41 HD2 ARG 41 -11.909 56.355 8.664 329 HD3 ARG 41 HD1 ARG 41 -11.512 55.729 7.062 330 HE ARG 41 HE ARG 41 -12.370 58.464 7.013 331 HH11 ARG 41 HH11 ARG 41 -9.589 56.450 7.711 332 HH12 ARG 41 HH12 ARG 41 -8.442 57.634 7.176 333 HH21 ARG 41 HH21 ARG 41 -10.874 60.027 6.348 334 HH22 ARG 41 HH22 ARG 41 -9.171 59.683 6.414 335 H CYS 42 HN CYS 42 -13.705 51.823 8.547 336 HA CYS 42 HA CYS 42 -16.229 51.257 9.961 337 HB2 CYS 42 HB2 CYS 42 -17.073 49.858 8.277 338 HB3 CYS 42 HB1 CYS 42 -16.453 51.255 7.410 339 H GLY 43 HN GLY 43 -12.959 50.511 9.740 340 HA2 GLY 43 HA2 GLY 43 -11.745 49.082 11.079 341 HA3 GLY 43 HA1 GLY 43 -13.250 48.605 11.848 342 H TYR 44 HN TYR 44 -13.102 48.304 8.435 343 HA TYR 44 HA TYR 44 -13.457 45.496 8.480 344 HB2 TYR 44 HB2 TYR 44 -14.327 46.902 6.649 345 HB3 TYR 44 HB1 TYR 44 -12.683 47.307 6.169 346 HD1 TYR 44 HD1 TYR 44 -15.201 44.608 6.288 347 HD2 TYR 44 HD2 TYR 44 -11.360 45.774 4.866 348 HE1 TYR 44 HE1 TYR 44 -15.164 42.653 4.797 349 HE2 TYR 44 HE2 TYR 44 -11.315 43.823 3.373 350 HH TYR 44 HH TYR 44 -12.379 41.558 3.269 351 H THR 45 HN THR 45 -11.952 44.018 8.847 352 HA THR 45 HA THR 45 -9.199 44.502 7.927 353 HB THR 45 HB THR 45 -9.921 43.299 10.617 354 HG1 THR 45 HG1 THR 45 -8.651 45.802 10.108 355 HG21 THR 45 HG21 THR 45 -7.851 42.387 9.675 356 HG22 THR 45 HG22 THR 45 -7.498 43.438 11.045 357 HG23 THR 45 HG23 THR 45 -7.244 44.020 9.400 358 H GLU 46 HN GLU 46 -8.646 42.955 6.569 359 HA GLU 46 HA GLU 46 -9.682 40.215 6.965 360 HB2 GLU 46 HB2 GLU 46 -10.619 41.251 4.933 361 HB3 GLU 46 HB1 GLU 46 -8.998 41.615 4.357 362 HG2 GLU 46 HG2 GLU 46 -9.883 39.677 3.213 363 HG3 GLU 46 HG1 GLU 46 -8.507 39.218 4.216 364 H PHE 47 HN PHE 47 -8.172 38.550 6.806 365 HA PHE 47 HA PHE 47 -5.458 39.399 7.335 366 HB2 PHE 47 HB2 PHE 47 -6.794 36.691 7.384 367 HB3 PHE 47 HB1 PHE 47 -5.081 36.927 7.723 368 HD1 PHE 47 HD2 PHE 47 -4.369 38.203 9.698 369 HD2 PHE 47 HD1 PHE 47 -8.468 37.274 8.999 370 HE1 PHE 47 HE2 PHE 47 -4.883 38.715 12.051 371 HE2 PHE 47 HE1 PHE 47 -8.987 37.789 11.348 372 HZ PHE 47 HZ PHE 47 -7.196 38.506 12.879 373 H LYS 48 HN LYS 48 -3.591 38.682 6.236 374 HA LYS 48 HA LYS 48 -3.792 38.536 3.409 375 HB2 LYS 48 HB2 LYS 48 -1.575 38.282 5.393 376 HB3 LYS 48 HB1 LYS 48 -1.290 37.642 3.782 377 HG2 LYS 48 HG2 LYS 48 -2.169 40.472 4.354 378 HG3 LYS 48 HG1 LYS 48 -0.494 39.972 4.106 379 HD2 LYS 48 HD2 LYS 48 -1.134 39.118 1.854 380 HD3 LYS 48 HD1 LYS 48 -2.760 39.753 2.111 381 HE2 LYS 48 HE2 LYS 48 -1.830 42.023 2.316 382 HE3 LYS 48 HE1 LYS 48 -0.210 41.380 2.045 383 HZ1 LYS 48 HZ1 LYS 48 -1.174 42.317 0.024 384 HZ2 LYS 48 HZ2 LYS 48 -2.460 41.226 0.108 385 HZ3 LYS 48 HZ3 LYS 48 -0.889 40.661 -0.149 386 H LYS 49 HN LYS 49 -5.200 36.860 2.943 387 HA LYS 49 HA LYS 49 -4.079 34.152 3.273 388 HB2 LYS 49 HB2 LYS 49 -6.404 33.309 3.217 389 HB3 LYS 49 HB1 LYS 49 -6.116 34.375 4.585 390 HG2 LYS 49 HG2 LYS 49 -7.201 36.217 3.342 391 HG3 LYS 49 HG1 LYS 49 -7.548 35.093 2.026 392 HD2 LYS 49 HD2 LYS 49 -9.511 35.334 3.421 393 HD3 LYS 49 HD1 LYS 49 -8.862 33.703 3.602 394 HE2 LYS 49 HE2 LYS 49 -7.765 34.391 5.699 395 HE3 LYS 49 HE1 LYS 49 -8.445 36.008 5.515 396 HZ1 LYS 49 HZ1 LYS 49 -9.962 33.483 5.902 397 HZ2 LYS 49 HZ2 LYS 49 -10.672 34.986 5.598 398 HZ3 LYS 49 HZ3 LYS 49 -9.792 34.741 7.022 399 H ALA 50 HN ALA 50 -4.220 32.769 1.487 400 HA ALA 50 HA ALA 50 -4.465 34.195 -1.081 401 HB1 ALA 50 HB1 ALA 50 -2.940 32.504 -1.976 402 HB2 ALA 50 HB2 ALA 50 -2.924 31.680 -0.417 403 HB3 ALA 50 HB3 ALA 50 -2.241 33.298 -0.567 404 H LYS 51 HN LYS 51 -6.397 32.438 0.739 405 HA LYS 51 HA LYS 51 -8.239 31.151 0.414 406 HB2 LYS 51 HB2 LYS 51 -8.611 32.726 -1.509 407 HB3 LYS 51 HB1 LYS 51 -7.767 31.595 -2.554 408 HG2 LYS 51 HG2 LYS 51 -10.176 31.389 -2.816 409 HG3 LYS 51 HG1 LYS 51 -9.494 29.909 -2.140 410 HD2 LYS 51 HD2 LYS 51 -11.565 30.476 -0.999 411 HD3 LYS 51 HD1 LYS 51 -10.205 30.626 0.111 412 HE2 LYS 51 HE2 LYS 51 -11.748 32.489 0.391 413 HE3 LYS 51 HE1 LYS 51 -10.203 33.061 -0.235 414 HZ1 LYS 51 HZ1 LYS 51 -12.603 32.535 -1.897 415 HZ2 LYS 51 HZ2 LYS 51 -11.145 33.204 -2.424 416 HZ3 LYS 51 HZ3 LYS 51 -12.129 34.061 -1.350 417 H LYS 52 HN LYS 52 -5.389 30.185 0.259 418 HA LYS 52 HA LYS 52 -5.335 27.877 -1.431 419 HB2 LYS 52 HB2 LYS 52 -3.228 27.355 -0.208 420 HB3 LYS 52 HB1 LYS 52 -3.260 28.992 -0.851 421 HG2 LYS 52 HG2 LYS 52 -3.866 29.845 1.372 422 HG3 LYS 52 HG1 LYS 52 -3.788 28.205 2.013 423 HD2 LYS 52 HD2 LYS 52 -1.397 28.107 1.353 424 HD3 LYS 52 HD1 LYS 52 -1.507 29.785 0.814 425 HE2 LYS 52 HE2 LYS 52 -2.097 30.477 3.089 426 HE3 LYS 52 HE1 LYS 52 -2.001 28.801 3.628 427 HZ1 LYS 52 HZ1 LYS 52 0.346 28.797 3.010 428 HZ2 LYS 52 HZ2 LYS 52 0.011 29.980 4.170 429 HZ3 LYS 52 HZ3 LYS 52 0.240 30.421 2.555 430 H SER 53 HN SER 53 -5.541 25.714 -0.852 431 HA SER 53 HA SER 53 -6.740 25.176 1.792 432 HB2 SER 53 HB2 SER 53 -7.540 23.887 -0.836 433 HB3 SER 53 HB1 SER 53 -8.295 23.636 0.738 434 HG SER 53 HG SER 53 -8.383 26.192 0.424 435 H LYS 54 HN LYS 54 -5.810 23.567 2.906 436 HA LYS 54 HA LYS 54 -3.659 22.037 1.667 437 HB2 LYS 54 HB2 LYS 54 -4.597 22.168 4.547 438 HB3 LYS 54 HB1 LYS 54 -3.188 21.278 3.984 439 HG2 LYS 54 HG2 LYS 54 -2.149 23.377 3.264 440 HG3 LYS 54 HG1 LYS 54 -3.565 24.267 3.831 441 HD2 LYS 54 HD2 LYS 54 -3.154 23.448 6.115 442 HD3 LYS 54 HD1 LYS 54 -1.721 22.591 5.543 443 HE2 LYS 54 HE2 LYS 54 -0.725 24.738 4.870 444 HE3 LYS 54 HE1 LYS 54 -2.154 25.580 5.467 445 HZ1 LYS 54 HZ1 LYS 54 -1.671 24.776 7.683 446 HZ2 LYS 54 HZ2 LYS 54 -0.338 25.617 7.073 447 HZ3 LYS 54 HZ3 LYS 54 -0.322 23.925 7.122 448 H SER 55 HN SER 55 -4.086 20.147 0.754 449 HA SER 55 HA SER 55 -6.454 18.630 1.490 450 HB2 SER 55 HB2 SER 55 -5.700 17.168 -0.453 451 HB3 SER 55 HB1 SER 55 -6.086 18.839 -0.870 452 HG SER 55 HG SER 55 -3.519 17.686 -0.507 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 20.095 58.930 11.469 2 H2 MET 1 HT2 MET 1 18.647 59.440 12.174 3 H3 MET 1 HT3 MET 1 19.673 58.389 13.014 4 HA MET 1 HA MET 1 19.814 60.648 13.859 5 HB2 MET 1 HB2 MET 1 21.771 59.200 14.049 6 HB3 MET 1 HB1 MET 1 22.283 59.626 12.422 7 HG2 MET 1 HG2 MET 1 23.578 60.772 14.173 8 HG3 MET 1 HG1 MET 1 22.734 61.892 13.103 9 HE1 MET 1 HE1 MET 1 23.957 62.767 15.911 10 HE2 MET 1 HE2 MET 1 22.651 63.758 16.560 11 HE3 MET 1 HE3 MET 1 23.087 63.878 14.855 12 H GLN 2 HN GLN 2 20.352 62.843 13.504 13 HA GLN 2 HA GLN 2 19.665 63.850 10.903 14 HB2 GLN 2 HB2 GLN 2 18.985 64.946 13.036 15 HB3 GLN 2 HB1 GLN 2 20.671 65.335 13.350 16 HG2 GLN 2 HG2 GLN 2 20.687 66.685 11.256 17 HG3 GLN 2 HG1 GLN 2 18.958 66.372 11.096 18 HE21 GLN 2 HE21 GLN 2 21.414 68.034 12.903 19 HE22 GLN 2 HE22 GLN 2 20.356 69.089 13.770 20 H LYS 3 HN LYS 3 21.676 62.453 10.168 21 HA LYS 3 HA LYS 3 23.778 64.331 9.488 22 HB2 LYS 3 HB2 LYS 3 24.340 61.777 11.020 23 HB3 LYS 3 HB1 LYS 3 25.568 62.623 10.088 24 HG2 LYS 3 HG2 LYS 3 25.254 64.607 11.511 25 HG3 LYS 3 HG1 LYS 3 24.062 63.719 12.462 26 HD2 LYS 3 HD2 LYS 3 25.756 62.105 13.129 27 HD3 LYS 3 HD1 LYS 3 26.955 62.909 12.111 28 HE2 LYS 3 HE2 LYS 3 26.721 64.947 13.469 29 HE3 LYS 3 HE1 LYS 3 25.542 64.124 14.490 30 HZ1 LYS 3 HZ1 LYS 3 27.787 64.174 15.443 31 HZ2 LYS 3 HZ2 LYS 3 28.359 63.261 14.140 32 HZ3 LYS 3 HZ3 LYS 3 27.229 62.594 15.203 33 H ARG 4 HN ARG 4 25.018 63.621 7.670 34 HA ARG 4 HA ARG 4 23.643 62.074 5.774 35 HB2 ARG 4 HB2 ARG 4 25.863 62.146 4.513 36 HB3 ARG 4 HB1 ARG 4 25.135 63.693 4.919 37 HG2 ARG 4 HG2 ARG 4 26.667 63.954 6.792 38 HG3 ARG 4 HG1 ARG 4 27.368 62.370 6.462 39 HD2 ARG 4 HD2 ARG 4 27.391 64.697 4.536 40 HD3 ARG 4 HD1 ARG 4 28.732 64.261 5.597 41 HE ARG 4 HE ARG 4 28.094 61.982 4.161 42 HH11 ARG 4 HH11 ARG 4 29.206 65.224 3.404 43 HH12 ARG 4 HH12 ARG 4 30.118 64.711 2.021 44 HH21 ARG 4 HH21 ARG 4 29.262 61.329 2.338 45 HH22 ARG 4 HH22 ARG 4 30.145 62.502 1.406 46 H GLU 5 HN GLU 5 23.142 60.130 6.856 47 HA GLU 5 HA GLU 5 25.269 58.319 7.629 48 HB2 GLU 5 HB2 GLU 5 22.272 57.882 7.463 49 HB3 GLU 5 HB1 GLU 5 23.426 56.766 8.181 50 HG2 GLU 5 HG2 GLU 5 23.987 58.418 9.883 51 HG3 GLU 5 HG1 GLU 5 22.872 59.567 9.148 52 H LEU 6 HN LEU 6 22.591 58.198 5.272 53 HA LEU 6 HA LEU 6 24.229 57.116 3.212 54 HB2 LEU 6 HB2 LEU 6 22.966 54.933 3.027 55 HB3 LEU 6 HB1 LEU 6 24.111 55.049 4.347 56 HG LEU 6 HG LEU 6 22.101 55.608 5.842 57 HD11 LEU 6 HD11 LEU 6 20.593 54.495 3.476 58 HD12 LEU 6 HD12 LEU 6 20.466 56.128 4.128 59 HD13 LEU 6 HD13 LEU 6 19.930 54.752 5.089 60 HD21 LEU 6 HD21 LEU 6 21.547 53.248 6.151 61 HD22 LEU 6 HD22 LEU 6 23.280 53.481 5.928 62 HD23 LEU 6 HD23 LEU 6 22.295 52.863 4.600 63 H TYR 7 HN TYR 7 22.984 56.666 1.239 64 HA TYR 7 HA TYR 7 20.398 58.091 1.197 65 HB2 TYR 7 HB2 TYR 7 22.567 58.069 -0.924 66 HB3 TYR 7 HB1 TYR 7 20.979 58.805 -1.117 67 HD1 TYR 7 HD2 TYR 7 24.229 59.072 0.612 68 HD2 TYR 7 HD1 TYR 7 20.456 60.922 -0.092 69 HE1 TYR 7 HE2 TYR 7 25.077 61.166 1.584 70 HE2 TYR 7 HE1 TYR 7 21.297 63.015 0.880 71 HH TYR 7 HH TYR 7 23.032 63.777 2.401 72 H GLU 8 HN GLU 8 18.983 56.459 1.154 73 HA GLU 8 HA GLU 8 19.467 54.180 -0.652 74 HB2 GLU 8 HB2 GLU 8 17.780 52.999 0.793 75 HB3 GLU 8 HB1 GLU 8 19.265 53.446 1.619 76 HG2 GLU 8 HG2 GLU 8 18.210 55.251 2.743 77 HG3 GLU 8 HG1 GLU 8 16.766 55.117 1.741 78 H ILE 9 HN ILE 9 18.229 53.973 -2.383 79 HA ILE 9 HA ILE 9 15.456 54.948 -2.307 80 HB ILE 9 HB ILE 9 15.636 55.573 -4.732 81 HG12 ILE 9 HG12 ILE 9 18.625 55.401 -4.221 82 HG13 ILE 9 HG11 ILE 9 17.705 54.309 -5.250 83 HG21 ILE 9 HG21 ILE 9 16.667 57.764 -4.331 84 HG22 ILE 9 HG22 ILE 9 17.370 57.158 -2.831 85 HG23 ILE 9 HG23 ILE 9 15.619 57.280 -2.998 86 HD11 ILE 9 HD11 ILE 9 17.163 56.179 -6.733 87 HD12 ILE 9 HD12 ILE 9 18.904 55.945 -6.567 88 HD13 ILE 9 HD13 ILE 9 18.104 57.259 -5.703 89 H ALA 10 HN ALA 10 14.050 53.414 -2.862 90 HA ALA 10 HA ALA 10 15.063 50.827 -3.718 91 HB1 ALA 10 HB1 ALA 10 12.806 50.016 -3.232 92 HB2 ALA 10 HB2 ALA 10 12.262 51.671 -2.952 93 HB3 ALA 10 HB3 ALA 10 13.455 50.939 -1.876 94 H ASP 11 HN ASP 11 15.326 50.492 -5.832 95 HA ASP 11 HA ASP 11 13.566 51.804 -7.774 96 HB2 ASP 11 HB2 ASP 11 16.096 50.174 -8.158 97 HB3 ASP 11 HB1 ASP 11 15.166 50.896 -9.467 98 H GLY 12 HN GLY 12 13.262 50.208 -9.814 99 HA2 GLY 12 HA2 GLY 12 12.607 48.074 -10.583 100 HA3 GLY 12 HA1 GLY 12 12.496 47.522 -8.918 101 H LYS 13 HN LYS 13 10.935 49.756 -7.997 102 HA LYS 13 HA LYS 13 8.813 50.487 -7.758 103 HB2 LYS 13 HB2 LYS 13 9.001 51.235 -10.099 104 HB3 LYS 13 HB1 LYS 13 8.451 49.658 -10.650 105 HG2 LYS 13 HG2 LYS 13 6.291 50.020 -9.560 106 HG3 LYS 13 HG1 LYS 13 6.845 51.591 -8.977 107 HD2 LYS 13 HD2 LYS 13 7.134 52.327 -11.320 108 HD3 LYS 13 HD1 LYS 13 6.506 50.771 -11.869 109 HE2 LYS 13 HE2 LYS 13 4.766 52.483 -11.925 110 HE3 LYS 13 HE1 LYS 13 4.377 51.234 -10.743 111 HZ1 LYS 13 HZ1 LYS 13 5.171 52.696 -8.991 112 HZ2 LYS 13 HZ2 LYS 13 3.945 53.448 -9.877 113 HZ3 LYS 13 HZ3 LYS 13 5.560 53.889 -10.124 114 H LEU 14 HN LEU 14 7.746 49.293 -6.338 115 HA LEU 14 HA LEU 14 7.110 46.528 -6.892 116 HB2 LEU 14 HB2 LEU 14 5.972 46.785 -4.534 117 HB3 LEU 14 HB1 LEU 14 7.706 46.633 -4.702 118 HG LEU 14 HG LEU 14 7.807 49.188 -4.552 119 HD11 LEU 14 HD11 LEU 14 5.470 49.705 -4.976 120 HD12 LEU 14 HD12 LEU 14 5.954 50.291 -3.385 121 HD13 LEU 14 HD13 LEU 14 4.994 48.818 -3.526 122 HD21 LEU 14 HD21 LEU 14 8.509 47.717 -2.741 123 HD22 LEU 14 HD22 LEU 14 6.846 47.621 -2.158 124 HD23 LEU 14 HD23 LEU 14 7.711 49.157 -2.108 125 H VAL 15 HN VAL 15 5.646 46.552 -8.532 126 HA VAL 15 HA VAL 15 3.153 48.010 -8.255 127 HB VAL 15 HB VAL 15 2.525 46.985 -10.418 128 HG11 VAL 15 HG11 VAL 15 4.217 48.126 -11.792 129 HG12 VAL 15 HG12 VAL 15 5.273 48.240 -10.383 130 HG13 VAL 15 HG13 VAL 15 3.730 49.094 -10.399 131 HG21 VAL 15 HG21 VAL 15 4.172 45.665 -11.693 132 HG22 VAL 15 HG22 VAL 15 3.672 44.833 -10.220 133 HG23 VAL 15 HG23 VAL 15 5.238 45.643 -10.286 134 H ARG 16 HN ARG 16 1.567 47.256 -7.036 135 HA ARG 16 HA ARG 16 1.200 44.333 -6.806 136 HB2 ARG 16 HB2 ARG 16 0.776 46.369 -4.600 137 HB3 ARG 16 HB1 ARG 16 0.546 44.630 -4.468 138 HG2 ARG 16 HG2 ARG 16 3.158 46.076 -4.910 139 HG3 ARG 16 HG1 ARG 16 2.630 45.271 -3.430 140 HD2 ARG 16 HD2 ARG 16 2.667 43.120 -4.538 141 HD3 ARG 16 HD1 ARG 16 3.060 43.883 -6.079 142 HE ARG 16 HE ARG 16 4.857 43.831 -3.733 143 HH11 ARG 16 HH11 ARG 16 4.348 43.890 -7.197 144 HH12 ARG 16 HH12 ARG 16 6.035 43.742 -7.578 145 HH21 ARG 16 HH21 ARG 16 7.069 43.651 -4.215 146 HH22 ARG 16 HH22 ARG 16 7.598 43.624 -5.870 147 H LYS 17 HN LYS 17 -1.010 43.740 -6.105 148 HA LYS 17 HA LYS 17 -2.956 44.973 -7.773 149 HB2 LYS 17 HB2 LYS 17 -3.331 42.978 -5.518 150 HB3 LYS 17 HB1 LYS 17 -4.536 43.387 -6.732 151 HG2 LYS 17 HG2 LYS 17 -3.117 42.454 -8.482 152 HG3 LYS 17 HG1 LYS 17 -1.871 42.084 -7.286 153 HD2 LYS 17 HD2 LYS 17 -3.428 40.575 -6.131 154 HD3 LYS 17 HD1 LYS 17 -4.675 40.948 -7.321 155 HE2 LYS 17 HE2 LYS 17 -2.016 39.647 -7.916 156 HE3 LYS 17 HE1 LYS 17 -3.558 38.804 -7.773 157 HZ1 LYS 17 HZ1 LYS 17 -3.005 39.210 -10.076 158 HZ2 LYS 17 HZ2 LYS 17 -2.895 40.874 -9.798 159 HZ3 LYS 17 HZ3 LYS 17 -4.386 40.090 -9.653 160 H HIS 18 HN HIS 18 -2.786 44.636 -4.235 161 HA HIS 18 HA HIS 18 -3.763 45.733 -2.520 162 HB2 HIS 18 HB2 HIS 18 -3.477 48.055 -4.439 163 HB3 HIS 18 HB1 HIS 18 -4.057 48.246 -2.788 164 HD1 HIS 18 HD1 HIS 18 -1.126 48.840 -4.515 165 HD2 HIS 18 HD2 HIS 18 -1.936 46.731 -1.033 166 HE1 HIS 18 HE1 HIS 18 1.050 48.737 -3.266 167 HE2 HIS 18 HE2 HIS 18 0.468 47.662 -1.066 168 H ARG 19 HN ARG 19 -5.791 47.026 -1.869 169 HA ARG 19 HA ARG 19 -7.961 46.630 -3.800 170 HB2 ARG 19 HB2 ARG 19 -7.903 45.508 -0.991 171 HB3 ARG 19 HB1 ARG 19 -9.382 45.693 -1.921 172 HG2 ARG 19 HG2 ARG 19 -8.348 44.216 -3.678 173 HG3 ARG 19 HG1 ARG 19 -7.038 43.902 -2.538 174 HD2 ARG 19 HD2 ARG 19 -8.604 42.969 -0.938 175 HD3 ARG 19 HD1 ARG 19 -9.964 43.385 -1.980 176 HE ARG 19 HE ARG 19 -8.296 41.079 -2.164 177 HH11 ARG 19 HH11 ARG 19 -10.122 43.342 -4.134 178 HH12 ARG 19 HH12 ARG 19 -10.410 42.197 -5.404 179 HH21 ARG 19 HH21 ARG 19 -8.693 39.574 -3.856 180 HH22 ARG 19 HH22 ARG 19 -9.602 40.074 -5.247 181 H PHE 20 HN PHE 20 -9.692 47.975 -3.573 182 HA PHE 20 HA PHE 20 -9.518 50.106 -1.567 183 HB2 PHE 20 HB2 PHE 20 -11.310 49.792 -4.001 184 HB3 PHE 20 HB1 PHE 20 -11.354 51.159 -2.892 185 HD1 PHE 20 HD1 PHE 20 -9.370 49.456 -5.489 186 HD2 PHE 20 HD2 PHE 20 -9.689 52.884 -2.977 187 HE1 PHE 20 HE1 PHE 20 -7.622 50.577 -6.805 188 HE2 PHE 20 HE2 PHE 20 -7.939 54.011 -4.292 189 HZ PHE 20 HZ PHE 20 -6.902 52.858 -6.208 190 H CYS 21 HN CYS 21 -11.114 50.329 0.006 191 HA CYS 21 HA CYS 21 -12.199 47.907 0.936 192 HB2 CYS 21 HB2 CYS 21 -11.601 49.801 2.395 193 HB3 CYS 21 HB1 CYS 21 -12.944 50.727 1.732 194 HA PRO 22 HA PRO 22 -15.647 47.109 -1.673 195 HB2 PRO 22 HB2 PRO 22 -17.127 46.568 0.855 196 HB3 PRO 22 HB1 PRO 22 -16.936 45.559 -0.579 197 HG2 PRO 22 HG2 PRO 22 -15.542 45.251 1.783 198 HG3 PRO 22 HG1 PRO 22 -15.039 44.602 0.215 199 HD2 PRO 22 HD2 PRO 22 -13.802 46.686 1.782 200 HD3 PRO 22 HD1 PRO 22 -13.250 45.990 0.249 201 H ARG 23 HN ARG 23 -16.455 48.823 1.354 202 HA ARG 23 HA ARG 23 -18.650 50.163 -0.033 203 HB2 ARG 23 HB2 ARG 23 -18.016 50.244 2.922 204 HB3 ARG 23 HB1 ARG 23 -19.516 50.728 2.141 205 HG2 ARG 23 HG2 ARG 23 -18.414 47.930 2.366 206 HG3 ARG 23 HG1 ARG 23 -19.821 48.590 3.201 207 HD2 ARG 23 HD2 ARG 23 -21.035 48.781 1.142 208 HD3 ARG 23 HD1 ARG 23 -19.600 48.375 0.198 209 HE ARG 23 HE ARG 23 -20.535 46.377 2.104 210 HH11 ARG 23 HH11 ARG 23 -20.448 47.468 -1.233 211 HH12 ARG 23 HH12 ARG 23 -20.812 45.903 -1.880 212 HH21 ARG 23 HH21 ARG 23 -21.012 44.331 1.255 213 HH22 ARG 23 HH22 ARG 23 -21.145 44.109 -0.465 214 H CYS 24 HN CYS 24 -15.886 51.019 2.064 215 HA CYS 24 HA CYS 24 -16.273 53.834 1.744 216 HB2 CYS 24 HB2 CYS 24 -13.666 52.583 2.588 217 HB3 CYS 24 HB1 CYS 24 -14.326 54.146 3.044 218 H GLY 25 HN GLY 25 -15.297 51.682 -0.510 219 HA2 GLY 25 HA2 GLY 25 -12.865 52.045 -1.505 220 HA3 GLY 25 HA1 GLY 25 -14.257 51.940 -2.560 221 HA PRO 26 HA PRO 26 -13.728 56.005 -4.167 222 HB2 PRO 26 HB2 PRO 26 -16.247 56.982 -2.900 223 HB3 PRO 26 HB1 PRO 26 -15.756 57.004 -4.598 224 HG2 PRO 26 HG2 PRO 26 -17.575 55.257 -3.732 225 HG3 PRO 26 HG1 PRO 26 -16.364 54.787 -4.942 226 HD2 PRO 26 HD2 PRO 26 -16.457 54.171 -2.009 227 HD3 PRO 26 HD1 PRO 26 -15.945 53.142 -3.364 228 H GLY 27 HN GLY 27 -11.948 56.561 -2.868 229 HA2 GLY 27 HA2 GLY 27 -11.106 58.566 -1.838 230 HA3 GLY 27 HA1 GLY 27 -12.557 58.630 -0.853 231 H VAL 28 HN VAL 28 -12.263 55.621 -0.402 232 HA VAL 28 HA VAL 28 -10.000 55.708 1.487 233 HB VAL 28 HB VAL 28 -12.731 54.583 2.157 234 HG11 VAL 28 HG11 VAL 28 -10.921 53.331 3.206 235 HG12 VAL 28 HG12 VAL 28 -11.798 54.269 4.414 236 HG13 VAL 28 HG13 VAL 28 -10.228 54.825 3.835 237 HG21 VAL 28 HG21 VAL 28 -11.360 57.064 3.209 238 HG22 VAL 28 HG22 VAL 28 -12.889 56.408 3.795 239 HG23 VAL 28 HG23 VAL 28 -12.770 57.028 2.148 240 H PHE 29 HN PHE 29 -8.675 54.327 0.512 241 HA PHE 29 HA PHE 29 -9.467 51.925 -0.792 242 HB2 PHE 29 HB2 PHE 29 -7.001 51.449 -0.812 243 HB3 PHE 29 HB1 PHE 29 -7.434 53.014 -1.488 244 HD1 PHE 29 HD1 PHE 29 -5.849 51.298 1.356 245 HD2 PHE 29 HD2 PHE 29 -6.758 55.068 -0.412 246 HE1 PHE 29 HE1 PHE 29 -4.267 52.395 2.886 247 HE2 PHE 29 HE2 PHE 29 -5.177 56.169 1.119 248 HZ PHE 29 HZ PHE 29 -3.929 54.833 2.769 249 H LEU 30 HN LEU 30 -7.715 50.002 0.098 250 HA LEU 30 HA LEU 30 -8.536 49.504 2.889 251 HB2 LEU 30 HB2 LEU 30 -9.622 48.007 1.216 252 HB3 LEU 30 HB1 LEU 30 -8.033 47.468 0.703 253 HG LEU 30 HG LEU 30 -7.638 46.522 2.956 254 HD11 LEU 30 HD11 LEU 30 -9.506 46.339 4.535 255 HD12 LEU 30 HD12 LEU 30 -10.490 47.361 3.487 256 HD13 LEU 30 HD13 LEU 30 -9.046 48.018 4.258 257 HD21 LEU 30 HD21 LEU 30 -8.546 45.104 1.183 258 HD22 LEU 30 HD22 LEU 30 -10.187 45.574 1.631 259 HD23 LEU 30 HD23 LEU 30 -9.196 44.641 2.754 260 H ALA 31 HN ALA 31 -6.815 49.807 4.157 261 HA ALA 31 HA ALA 31 -4.182 50.056 3.226 262 HB1 ALA 31 HB1 ALA 31 -3.547 50.162 5.582 263 HB2 ALA 31 HB2 ALA 31 -5.136 49.552 6.047 264 HB3 ALA 31 HB3 ALA 31 -4.990 51.129 5.271 265 H GLU 32 HN GLU 32 -3.224 48.376 2.238 266 HA GLU 32 HA GLU 32 -3.465 45.689 3.315 267 HB2 GLU 32 HB2 GLU 32 -3.565 45.943 0.887 268 HB3 GLU 32 HB1 GLU 32 -1.982 46.715 0.882 269 HG2 GLU 32 HG2 GLU 32 -1.001 44.630 1.786 270 HG3 GLU 32 HG1 GLU 32 -2.582 43.867 1.673 271 H HIS 33 HN HIS 33 -2.244 45.228 4.980 272 HA HIS 33 HA HIS 33 0.578 46.072 5.007 273 HB2 HIS 33 HB2 HIS 33 -1.084 44.909 7.270 274 HB3 HIS 33 HB1 HIS 33 0.564 45.522 7.394 275 HD1 HIS 33 HD1 HIS 33 0.876 48.101 7.386 276 HD2 HIS 33 HD2 HIS 33 -3.089 46.858 7.237 277 HE1 HIS 33 HE1 HIS 33 -0.494 50.155 7.854 278 HE2 HIS 33 HE2 HIS 33 -2.872 49.339 7.933 279 H ALA 34 HN ALA 34 2.173 44.441 5.437 280 HA ALA 34 HA ALA 34 1.882 42.074 3.990 281 HB1 ALA 34 HB1 ALA 34 4.001 41.380 4.994 282 HB2 ALA 34 HB2 ALA 34 3.845 42.641 6.218 283 HB3 ALA 34 HB3 ALA 34 4.056 43.078 4.522 284 H ASP 35 HN ASP 35 1.025 42.835 7.232 285 HA ASP 35 HA ASP 35 0.782 40.110 8.143 286 HB2 ASP 35 HB2 ASP 35 -0.189 42.705 9.377 287 HB3 ASP 35 HB1 ASP 35 -0.179 41.136 10.179 288 H ARG 36 HN ARG 36 -1.376 42.664 6.987 289 HA ARG 36 HA ARG 36 -3.458 40.994 6.174 290 HB2 ARG 36 HB2 ARG 36 -5.135 41.398 7.943 291 HB3 ARG 36 HB1 ARG 36 -3.764 40.476 8.539 292 HG2 ARG 36 HG2 ARG 36 -2.834 42.579 9.492 293 HG3 ARG 36 HG1 ARG 36 -4.318 43.404 9.010 294 HD2 ARG 36 HD2 ARG 36 -5.625 41.917 10.425 295 HD3 ARG 36 HD1 ARG 36 -4.172 41.021 10.863 296 HE ARG 36 HE ARG 36 -4.880 43.739 11.730 297 HH11 ARG 36 HH11 ARG 36 -2.699 40.996 11.905 298 HH12 ARG 36 HH12 ARG 36 -1.976 41.517 13.393 299 HH21 ARG 36 HH21 ARG 36 -3.938 44.412 13.679 300 HH22 ARG 36 HH22 ARG 36 -2.694 43.449 14.420 301 H TYR 37 HN TYR 37 -5.609 42.318 6.064 302 HA TYR 37 HA TYR 37 -4.994 45.000 5.072 303 HB2 TYR 37 HB2 TYR 37 -7.587 43.433 4.862 304 HB3 TYR 37 HB1 TYR 37 -7.176 44.905 3.996 305 HD1 TYR 37 HD2 TYR 37 -6.695 41.278 4.170 306 HD2 TYR 37 HD1 TYR 37 -5.689 44.833 2.050 307 HE1 TYR 37 HE2 TYR 37 -5.879 39.921 2.296 308 HE2 TYR 37 HE1 TYR 37 -4.875 43.478 0.164 309 HH TYR 37 HH TYR 37 -5.589 40.258 -0.221 310 H SER 38 HN SER 38 -6.226 46.810 5.780 311 HA SER 38 HA SER 38 -7.975 46.486 8.088 312 HB2 SER 38 HB2 SER 38 -5.729 46.646 9.079 313 HB3 SER 38 HB1 SER 38 -5.424 48.130 8.181 314 HG SER 38 HG SER 38 -7.557 47.846 10.033 315 H CYS 39 HN CYS 39 -9.313 48.298 8.454 316 HA CYS 39 HA CYS 39 -9.037 50.571 6.614 317 HB2 CYS 39 HB2 CYS 39 -10.591 49.161 5.464 318 HB3 CYS 39 HB1 CYS 39 -11.511 48.878 6.932 319 H GLY 40 HN GLY 40 -8.473 51.891 8.343 320 HA2 GLY 40 HA2 GLY 40 -10.111 52.307 10.629 321 HA3 GLY 40 HA1 GLY 40 -8.919 53.431 9.986 322 H ARG 41 HN ARG 41 -12.196 52.235 9.517 323 HA ARG 41 HA ARG 41 -13.363 54.751 9.086 324 HB2 ARG 41 HB2 ARG 41 -12.028 54.408 6.908 325 HB3 ARG 41 HB1 ARG 41 -13.187 53.145 6.526 326 HG2 ARG 41 HG2 ARG 41 -13.803 55.204 5.419 327 HG3 ARG 41 HG1 ARG 41 -15.009 54.802 6.646 328 HD2 ARG 41 HD2 ARG 41 -14.050 56.420 8.175 329 HD3 ARG 41 HD1 ARG 41 -12.737 56.757 7.049 330 HE ARG 41 HE ARG 41 -15.075 57.286 5.679 331 HH11 ARG 41 HH11 ARG 41 -13.542 58.474 8.594 332 HH12 ARG 41 HH12 ARG 41 -14.160 60.083 8.416 333 HH21 ARG 41 HH21 ARG 41 -15.912 59.387 5.457 334 HH22 ARG 41 HH22 ARG 41 -15.511 60.607 6.626 335 H CYS 42 HN CYS 42 -13.427 51.276 8.647 336 HA CYS 42 HA CYS 42 -16.063 51.229 9.861 337 HB2 CYS 42 HB2 CYS 42 -17.105 49.800 8.216 338 HB3 CYS 42 HB1 CYS 42 -16.528 51.253 7.411 339 H GLY 43 HN GLY 43 -12.994 50.121 9.845 340 HA2 GLY 43 HA2 GLY 43 -12.043 48.582 11.261 341 HA3 GLY 43 HA1 GLY 43 -13.653 48.058 11.722 342 H TYR 44 HN TYR 44 -13.019 48.044 8.351 343 HA TYR 44 HA TYR 44 -13.372 45.254 8.128 344 HB2 TYR 44 HB2 TYR 44 -13.825 46.906 6.281 345 HB3 TYR 44 HB1 TYR 44 -12.086 47.067 6.059 346 HD1 TYR 44 HD2 TYR 44 -10.766 45.153 5.156 347 HD2 TYR 44 HD1 TYR 44 -15.007 44.968 5.483 348 HE1 TYR 44 HE2 TYR 44 -10.796 43.224 3.628 349 HE2 TYR 44 HE1 TYR 44 -15.047 43.040 3.963 350 HH TYR 44 HH TYR 44 -12.281 41.285 3.125 351 H THR 45 HN THR 45 -11.998 43.711 8.620 352 HA THR 45 HA THR 45 -9.102 44.142 8.297 353 HB THR 45 HB THR 45 -10.335 42.682 10.654 354 HG1 THR 45 HG1 THR 45 -10.640 45.099 10.492 355 HG21 THR 45 HG21 THR 45 -8.074 42.858 11.607 356 HG22 THR 45 HG22 THR 45 -7.513 43.663 10.141 357 HG23 THR 45 HG23 THR 45 -8.050 41.983 10.077 358 H GLU 46 HN GLU 46 -8.105 42.488 7.269 359 HA GLU 46 HA GLU 46 -9.381 39.852 7.154 360 HB2 GLU 46 HB2 GLU 46 -10.219 41.111 5.197 361 HB3 GLU 46 HB1 GLU 46 -8.563 41.433 4.700 362 HG2 GLU 46 HG2 GLU 46 -8.199 39.019 4.405 363 HG3 GLU 46 HG1 GLU 46 -9.875 38.723 4.865 364 H PHE 47 HN PHE 47 -7.869 38.344 7.543 365 HA PHE 47 HA PHE 47 -5.138 39.073 7.849 366 HB2 PHE 47 HB2 PHE 47 -6.498 36.372 7.931 367 HB3 PHE 47 HB1 PHE 47 -4.803 36.633 8.334 368 HD1 PHE 47 HD2 PHE 47 -4.363 38.489 10.128 369 HD2 PHE 47 HD1 PHE 47 -8.065 36.433 9.645 370 HE1 PHE 47 HE2 PHE 47 -4.987 39.060 12.444 371 HE2 PHE 47 HE1 PHE 47 -8.690 37.004 11.955 372 HZ PHE 47 HZ PHE 47 -7.147 38.317 13.359 373 H LYS 48 HN LYS 48 -3.334 38.493 6.682 374 HA LYS 48 HA LYS 48 -3.697 38.031 3.866 375 HB2 LYS 48 HB2 LYS 48 -1.341 38.502 5.657 376 HB3 LYS 48 HB1 LYS 48 -1.055 37.796 4.074 377 HG2 LYS 48 HG2 LYS 48 -2.517 40.394 4.519 378 HG3 LYS 48 HG1 LYS 48 -0.791 40.268 4.170 379 HD2 LYS 48 HD2 LYS 48 -1.346 39.096 2.050 380 HD3 LYS 48 HD1 LYS 48 -3.060 39.344 2.392 381 HE2 LYS 48 HE2 LYS 48 -2.739 41.761 2.329 382 HE3 LYS 48 HE1 LYS 48 -1.012 41.539 2.051 383 HZ1 LYS 48 HZ1 LYS 48 -2.226 42.013 -0.002 384 HZ2 LYS 48 HZ2 LYS 48 -3.167 40.628 0.218 385 HZ3 LYS 48 HZ3 LYS 48 -1.503 40.485 -0.053 386 H LYS 49 HN LYS 49 -4.881 36.013 4.218 387 HA LYS 49 HA LYS 49 -3.283 33.674 4.910 388 HB2 LYS 49 HB2 LYS 49 -5.702 33.984 5.632 389 HB3 LYS 49 HB1 LYS 49 -6.157 33.771 3.946 390 HG2 LYS 49 HG2 LYS 49 -5.165 31.523 3.974 391 HG3 LYS 49 HG1 LYS 49 -4.735 31.743 5.672 392 HD2 LYS 49 HD2 LYS 49 -7.151 32.053 6.190 393 HD3 LYS 49 HD1 LYS 49 -7.524 31.684 4.505 394 HE2 LYS 49 HE2 LYS 49 -6.171 29.852 6.490 395 HE3 LYS 49 HE1 LYS 49 -7.824 29.711 5.892 396 HZ1 LYS 49 HZ1 LYS 49 -5.348 29.439 4.274 397 HZ2 LYS 49 HZ2 LYS 49 -6.920 29.367 3.659 398 HZ3 LYS 49 HZ3 LYS 49 -6.383 28.187 4.738 399 H ALA 50 HN ALA 50 -3.294 31.800 3.370 400 HA ALA 50 HA ALA 50 -2.364 32.625 0.815 401 HB1 ALA 50 HB1 ALA 50 -2.074 30.247 0.352 402 HB2 ALA 50 HB2 ALA 50 -3.018 29.839 1.786 403 HB3 ALA 50 HB3 ALA 50 -1.461 30.654 1.955 404 H LYS 51 HN LYS 51 -4.334 33.825 0.212 405 HA LYS 51 HA LYS 51 -6.719 32.407 -0.479 406 HB2 LYS 51 HB2 LYS 51 -6.669 34.841 0.063 407 HB3 LYS 51 HB1 LYS 51 -5.763 35.130 -1.413 408 HG2 LYS 51 HG2 LYS 51 -7.880 35.678 -2.095 409 HG3 LYS 51 HG1 LYS 51 -7.825 33.981 -2.563 410 HD2 LYS 51 HD2 LYS 51 -9.041 35.035 0.002 411 HD3 LYS 51 HD1 LYS 51 -9.948 34.635 -1.454 412 HE2 LYS 51 HE2 LYS 51 -9.112 32.295 -1.263 413 HE3 LYS 51 HE1 LYS 51 -8.355 32.733 0.269 414 HZ1 LYS 51 HZ1 LYS 51 -11.257 32.834 -0.341 415 HZ2 LYS 51 HZ2 LYS 51 -10.556 33.325 1.118 416 HZ3 LYS 51 HZ3 LYS 51 -10.484 31.703 0.649 417 H LYS 52 HN LYS 52 -3.849 33.480 -2.184 418 HA LYS 52 HA LYS 52 -4.575 31.736 -4.449 419 HB2 LYS 52 HB2 LYS 52 -4.642 34.329 -4.839 420 HB3 LYS 52 HB1 LYS 52 -2.890 34.217 -4.801 421 HG2 LYS 52 HG2 LYS 52 -3.629 34.184 -7.081 422 HG3 LYS 52 HG1 LYS 52 -2.992 32.588 -6.673 423 HD2 LYS 52 HD2 LYS 52 -5.199 31.676 -6.469 424 HD3 LYS 52 HD1 LYS 52 -5.936 33.276 -6.574 425 HE2 LYS 52 HE2 LYS 52 -5.188 33.486 -8.886 426 HE3 LYS 52 HE1 LYS 52 -4.382 31.923 -8.785 427 HZ1 LYS 52 HZ1 LYS 52 -6.474 30.835 -8.534 428 HZ2 LYS 52 HZ2 LYS 52 -6.586 31.854 -9.882 429 HZ3 LYS 52 HZ3 LYS 52 -7.301 32.305 -8.419 430 H SER 53 HN SER 53 -3.355 30.017 -3.740 431 HA SER 53 HA SER 53 -0.831 30.432 -2.415 432 HB2 SER 53 HB2 SER 53 -2.136 27.815 -3.212 433 HB3 SER 53 HB1 SER 53 -0.885 28.052 -1.989 434 HG SER 53 HG SER 53 -3.444 29.275 -1.856 435 H LYS 54 HN LYS 54 -1.659 28.232 -5.097 436 HA LYS 54 HA LYS 54 1.122 28.446 -6.050 437 HB2 LYS 54 HB2 LYS 54 0.187 26.202 -5.367 438 HB3 LYS 54 HB1 LYS 54 -0.968 26.339 -6.684 439 HG2 LYS 54 HG2 LYS 54 0.904 26.396 -8.289 440 HG3 LYS 54 HG1 LYS 54 2.035 26.200 -6.951 441 HD2 LYS 54 HD2 LYS 54 1.724 24.043 -7.915 442 HD3 LYS 54 HD1 LYS 54 0.847 24.049 -6.386 443 HE2 LYS 54 HE2 LYS 54 -0.425 24.524 -9.088 444 HE3 LYS 54 HE1 LYS 54 -0.382 22.966 -8.270 445 HZ1 LYS 54 HZ1 LYS 54 -1.611 24.017 -6.413 446 HZ2 LYS 54 HZ2 LYS 54 -2.478 23.992 -7.862 447 HZ3 LYS 54 HZ3 LYS 54 -1.757 25.425 -7.336 448 H SER 55 HN SER 55 -0.643 30.526 -6.638 449 HA SER 55 HA SER 55 -1.593 31.763 -8.281 450 HB2 SER 55 HB2 SER 55 0.053 29.987 -10.117 451 HB3 SER 55 HB1 SER 55 -0.646 31.550 -10.542 452 HG SER 55 HG SER 55 1.139 31.244 -8.369 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 -12.641 73.843 -26.402 2 H2 MET 1 HT2 MET 1 -12.618 73.546 -28.068 3 H3 MET 1 HT3 MET 1 -13.612 74.758 -27.441 4 HA MET 1 HA MET 1 -11.650 75.666 -28.513 5 HB2 MET 1 HB2 MET 1 -12.754 76.863 -26.663 6 HB3 MET 1 HB1 MET 1 -11.733 76.028 -25.505 7 HG2 MET 1 HG2 MET 1 -10.639 77.818 -27.660 8 HG3 MET 1 HG1 MET 1 -11.097 78.398 -26.060 9 HE1 MET 1 HE1 MET 1 -7.232 78.510 -25.745 10 HE2 MET 1 HE2 MET 1 -8.750 79.373 -25.496 11 HE3 MET 1 HE3 MET 1 -8.225 78.964 -27.130 12 H GLN 2 HN GLN 2 -10.637 74.197 -25.398 13 HA GLN 2 HA GLN 2 -7.937 73.900 -26.354 14 HB2 GLN 2 HB2 GLN 2 -8.251 74.360 -24.000 15 HB3 GLN 2 HB1 GLN 2 -9.282 72.945 -23.815 16 HG2 GLN 2 HG2 GLN 2 -7.405 71.477 -24.262 17 HG3 GLN 2 HG1 GLN 2 -6.359 72.862 -24.561 18 HE21 GLN 2 HE21 GLN 2 -4.936 72.192 -22.955 19 HE22 GLN 2 HE22 GLN 2 -5.304 72.366 -21.273 20 H LYS 3 HN LYS 3 -7.299 72.336 -27.636 21 HA LYS 3 HA LYS 3 -8.788 69.825 -27.797 22 HB2 LYS 3 HB2 LYS 3 -6.499 70.884 -29.479 23 HB3 LYS 3 HB1 LYS 3 -7.368 69.385 -29.779 24 HG2 LYS 3 HG2 LYS 3 -8.587 72.144 -29.830 25 HG3 LYS 3 HG1 LYS 3 -8.102 71.210 -31.247 26 HD2 LYS 3 HD2 LYS 3 -9.708 69.442 -30.590 27 HD3 LYS 3 HD1 LYS 3 -10.219 70.444 -29.231 28 HE2 LYS 3 HE2 LYS 3 -10.993 72.170 -30.756 29 HE3 LYS 3 HE1 LYS 3 -10.412 71.241 -32.140 30 HZ1 LYS 3 HZ1 LYS 3 -11.985 69.483 -31.533 31 HZ2 LYS 3 HZ2 LYS 3 -12.769 70.942 -31.867 32 HZ3 LYS 3 HZ3 LYS 3 -12.573 70.439 -30.268 33 H ARG 4 HN ARG 4 -5.459 70.972 -27.323 34 HA ARG 4 HA ARG 4 -4.638 68.300 -26.465 35 HB2 ARG 4 HB2 ARG 4 -2.348 69.167 -26.627 36 HB3 ARG 4 HB1 ARG 4 -3.236 69.424 -28.121 37 HG2 ARG 4 HG2 ARG 4 -3.560 71.761 -27.574 38 HG3 ARG 4 HG1 ARG 4 -2.782 71.529 -26.007 39 HD2 ARG 4 HD2 ARG 4 -1.252 72.552 -27.615 40 HD3 ARG 4 HD1 ARG 4 -0.687 70.956 -27.122 41 HE ARG 4 HE ARG 4 -2.227 71.157 -29.603 42 HH11 ARG 4 HH11 ARG 4 0.868 70.700 -28.027 43 HH12 ARG 4 HH12 ARG 4 1.655 70.137 -29.468 44 HH21 ARG 4 HH21 ARG 4 -1.177 70.397 -31.500 45 HH22 ARG 4 HH22 ARG 4 0.502 69.962 -31.426 46 H GLU 5 HN GLU 5 -4.067 67.798 -24.430 47 HA GLU 5 HA GLU 5 -3.522 69.928 -22.498 48 HB2 GLU 5 HB2 GLU 5 -4.901 68.834 -20.772 49 HB3 GLU 5 HB1 GLU 5 -5.872 69.375 -22.133 50 HG2 GLU 5 HG2 GLU 5 -5.859 67.053 -23.003 51 HG3 GLU 5 HG1 GLU 5 -5.007 66.549 -21.544 52 H LEU 6 HN LEU 6 -3.544 66.467 -23.210 53 HA LEU 6 HA LEU 6 -2.052 64.815 -22.899 54 HB2 LEU 6 HB2 LEU 6 -0.178 67.174 -22.907 55 HB3 LEU 6 HB1 LEU 6 0.402 65.527 -22.770 56 HG LEU 6 HG LEU 6 -0.697 65.023 -24.976 57 HD11 LEU 6 HD11 LEU 6 -2.346 66.820 -24.994 58 HD12 LEU 6 HD12 LEU 6 -1.315 66.887 -26.424 59 HD13 LEU 6 HD13 LEU 6 -1.054 68.016 -25.095 60 HD21 LEU 6 HD21 LEU 6 1.392 67.209 -24.980 61 HD22 LEU 6 HD22 LEU 6 1.037 66.113 -26.316 62 HD23 LEU 6 HD23 LEU 6 1.699 65.480 -24.810 63 H TYR 7 HN TYR 7 -2.757 63.981 -20.953 64 HA TYR 7 HA TYR 7 -1.623 64.817 -18.445 65 HB2 TYR 7 HB2 TYR 7 -2.929 62.181 -19.204 66 HB3 TYR 7 HB1 TYR 7 -2.543 62.696 -17.565 67 HD1 TYR 7 HD1 TYR 7 -3.650 64.918 -16.770 68 HD2 TYR 7 HD2 TYR 7 -5.043 62.631 -20.080 69 HE1 TYR 7 HE1 TYR 7 -5.854 65.988 -16.578 70 HE2 TYR 7 HE2 TYR 7 -7.246 63.698 -19.894 71 HH TYR 7 HH TYR 7 -7.823 66.462 -18.146 72 H GLU 8 HN GLU 8 0.533 64.730 -18.286 73 HA GLU 8 HA GLU 8 2.070 62.764 -19.750 74 HB2 GLU 8 HB2 GLU 8 3.034 64.898 -17.827 75 HB3 GLU 8 HB1 GLU 8 4.011 64.012 -18.994 76 HG2 GLU 8 HG2 GLU 8 2.710 65.036 -20.825 77 HG3 GLU 8 HG1 GLU 8 1.801 65.964 -19.633 78 H ILE 9 HN ILE 9 2.458 60.817 -18.961 79 HA ILE 9 HA ILE 9 1.895 60.144 -16.235 80 HB ILE 9 HB ILE 9 2.624 57.866 -16.828 81 HG12 ILE 9 HG12 ILE 9 3.242 59.052 -19.556 82 HG13 ILE 9 HG11 ILE 9 4.440 58.482 -18.400 83 HG21 ILE 9 HG21 ILE 9 0.870 57.417 -18.487 84 HG22 ILE 9 HG22 ILE 9 0.775 59.140 -18.848 85 HG23 ILE 9 HG23 ILE 9 0.327 58.549 -17.247 86 HD11 ILE 9 HD11 ILE 9 2.359 56.791 -19.773 87 HD12 ILE 9 HD12 ILE 9 3.544 56.213 -18.600 88 HD13 ILE 9 HD13 ILE 9 4.080 56.852 -20.153 89 H ALA 10 HN ALA 10 3.383 59.059 -14.801 90 HA ALA 10 HA ALA 10 6.217 59.330 -15.169 91 HB1 ALA 10 HB1 ALA 10 6.613 60.887 -13.331 92 HB2 ALA 10 HB2 ALA 10 4.876 61.078 -13.099 93 HB3 ALA 10 HB3 ALA 10 5.633 61.647 -14.586 94 H ASP 11 HN ASP 11 6.380 57.183 -14.645 95 HA ASP 11 HA ASP 11 6.051 56.542 -11.819 96 HB2 ASP 11 HB2 ASP 11 4.776 54.553 -12.155 97 HB3 ASP 11 HB1 ASP 11 3.933 55.828 -13.029 98 H GLY 12 HN GLY 12 7.272 54.733 -11.150 99 HA2 GLY 12 HA2 GLY 12 8.927 53.292 -13.035 100 HA3 GLY 12 HA1 GLY 12 9.816 54.420 -12.012 101 H LYS 13 HN LYS 13 6.981 52.489 -11.227 102 HA LYS 13 HA LYS 13 8.452 50.617 -9.616 103 HB2 LYS 13 HB2 LYS 13 7.375 51.225 -7.479 104 HB3 LYS 13 HB1 LYS 13 8.422 52.507 -8.069 105 HG2 LYS 13 HG2 LYS 13 6.470 53.749 -8.870 106 HG3 LYS 13 HG1 LYS 13 5.411 52.452 -8.310 107 HD2 LYS 13 HD2 LYS 13 6.087 52.847 -6.009 108 HD3 LYS 13 HD1 LYS 13 7.251 54.065 -6.531 109 HE2 LYS 13 HE2 LYS 13 5.236 55.117 -5.653 110 HE3 LYS 13 HE1 LYS 13 5.416 55.455 -7.373 111 HZ1 LYS 13 HZ1 LYS 13 3.651 53.349 -6.244 112 HZ2 LYS 13 HZ2 LYS 13 3.763 53.805 -7.869 113 HZ3 LYS 13 HZ3 LYS 13 3.133 54.879 -6.733 114 H LEU 14 HN LEU 14 6.896 49.135 -8.449 115 HA LEU 14 HA LEU 14 4.926 48.181 -10.213 116 HB2 LEU 14 HB2 LEU 14 4.197 46.808 -8.148 117 HB3 LEU 14 HB1 LEU 14 5.789 46.541 -8.824 118 HG LEU 14 HG LEU 14 6.728 48.020 -7.012 119 HD11 LEU 14 HD11 LEU 14 5.357 48.386 -5.003 120 HD12 LEU 14 HD12 LEU 14 3.941 47.802 -5.878 121 HD13 LEU 14 HD13 LEU 14 4.756 49.275 -6.402 122 HD21 LEU 14 HD21 LEU 14 6.838 45.589 -6.877 123 HD22 LEU 14 HD22 LEU 14 5.244 45.544 -6.123 124 HD23 LEU 14 HD23 LEU 14 6.599 46.295 -5.279 125 H VAL 15 HN VAL 15 2.648 48.152 -10.052 126 HA VAL 15 HA VAL 15 1.565 50.558 -8.755 127 HB VAL 15 HB VAL 15 -0.379 50.307 -10.233 128 HG11 VAL 15 HG11 VAL 15 1.516 51.627 -11.012 129 HG12 VAL 15 HG12 VAL 15 0.734 50.807 -12.364 130 HG13 VAL 15 HG13 VAL 15 2.252 50.186 -11.714 131 HG21 VAL 15 HG21 VAL 15 -0.389 48.630 -12.031 132 HG22 VAL 15 HG22 VAL 15 -0.426 47.874 -10.438 133 HG23 VAL 15 HG23 VAL 15 1.076 47.909 -11.363 134 H ARG 16 HN ARG 16 1.425 47.105 -8.704 135 HA ARG 16 HA ARG 16 0.424 45.595 -7.347 136 HB2 ARG 16 HB2 ARG 16 -0.110 48.055 -5.669 137 HB3 ARG 16 HB1 ARG 16 -0.542 46.430 -5.152 138 HG2 ARG 16 HG2 ARG 16 1.785 45.761 -5.179 139 HG3 ARG 16 HG1 ARG 16 2.259 47.334 -5.823 140 HD2 ARG 16 HD2 ARG 16 1.572 48.439 -3.802 141 HD3 ARG 16 HD1 ARG 16 0.872 46.952 -3.165 142 HE ARG 16 HE ARG 16 3.273 46.100 -3.260 143 HH11 ARG 16 HH11 ARG 16 2.524 49.489 -2.768 144 HH12 ARG 16 HH12 ARG 16 3.890 49.766 -1.733 145 HH21 ARG 16 HH21 ARG 16 5.076 46.474 -1.914 146 HH22 ARG 16 HH22 ARG 16 5.341 48.063 -1.264 147 H LYS 17 HN LYS 17 -1.679 44.785 -6.612 148 HA LYS 17 HA LYS 17 -3.864 45.874 -8.210 149 HB2 LYS 17 HB2 LYS 17 -3.776 43.338 -6.552 150 HB3 LYS 17 HB1 LYS 17 -5.051 43.804 -7.674 151 HG2 LYS 17 HG2 LYS 17 -3.316 43.768 -9.502 152 HG3 LYS 17 HG1 LYS 17 -2.204 43.057 -8.333 153 HD2 LYS 17 HD2 LYS 17 -3.182 41.287 -9.636 154 HD3 LYS 17 HD1 LYS 17 -3.831 41.200 -7.997 155 HE2 LYS 17 HE2 LYS 17 -5.589 40.860 -9.657 156 HE3 LYS 17 HE1 LYS 17 -5.867 42.336 -8.738 157 HZ1 LYS 17 HZ1 LYS 17 -4.633 42.238 -11.437 158 HZ2 LYS 17 HZ2 LYS 17 -5.033 43.633 -10.569 159 HZ3 LYS 17 HZ3 LYS 17 -6.251 42.608 -11.132 160 H HIS 18 HN HIS 18 -4.691 47.585 -7.237 161 HA HIS 18 HA HIS 18 -4.692 47.902 -4.394 162 HB2 HIS 18 HB2 HIS 18 -5.905 50.077 -4.943 163 HB3 HIS 18 HB1 HIS 18 -4.292 49.887 -5.612 164 HD1 HIS 18 HD1 HIS 18 -7.927 49.622 -6.713 165 HD2 HIS 18 HD2 HIS 18 -4.131 50.202 -8.311 166 HE1 HIS 18 HE1 HIS 18 -8.290 50.200 -9.131 167 HE2 HIS 18 HE2 HIS 18 -5.994 50.741 -10.014 168 H ARG 19 HN ARG 19 -6.013 46.135 -3.723 169 HA ARG 19 HA ARG 19 -8.839 46.166 -4.292 170 HB2 ARG 19 HB2 ARG 19 -7.451 44.811 -1.965 171 HB3 ARG 19 HB1 ARG 19 -9.050 44.453 -2.598 172 HG2 ARG 19 HG2 ARG 19 -7.901 43.755 -4.750 173 HG3 ARG 19 HG1 ARG 19 -6.381 43.857 -3.854 174 HD2 ARG 19 HD2 ARG 19 -8.712 42.008 -3.399 175 HD3 ARG 19 HD1 ARG 19 -7.024 41.594 -3.695 176 HE ARG 19 HE ARG 19 -6.798 42.874 -1.391 177 HH11 ARG 19 HH11 ARG 19 -9.116 40.425 -2.360 178 HH12 ARG 19 HH12 ARG 19 -9.418 39.898 -0.735 179 HH21 ARG 19 HH21 ARG 19 -7.213 42.166 0.742 180 HH22 ARG 19 HH22 ARG 19 -8.330 40.870 1.022 181 H PHE 20 HN PHE 20 -9.834 48.037 -3.687 182 HA PHE 20 HA PHE 20 -9.238 49.243 -1.113 183 HB2 PHE 20 HB2 PHE 20 -11.237 50.016 -3.256 184 HB3 PHE 20 HB1 PHE 20 -10.934 50.936 -1.787 185 HD1 PHE 20 HD1 PHE 20 -8.229 51.295 -1.429 186 HD2 PHE 20 HD2 PHE 20 -10.271 50.916 -5.147 187 HE1 PHE 20 HE1 PHE 20 -6.420 52.530 -2.548 188 HE2 PHE 20 HE2 PHE 20 -8.460 52.147 -6.267 189 HZ PHE 20 HZ PHE 20 -6.536 52.956 -4.970 190 H CYS 21 HN CYS 21 -10.933 49.671 0.472 191 HA CYS 21 HA CYS 21 -12.334 47.321 1.189 192 HB2 CYS 21 HB2 CYS 21 -11.577 48.985 2.819 193 HB3 CYS 21 HB1 CYS 21 -12.684 50.168 2.150 194 HA PRO 22 HA PRO 22 -15.276 47.365 -2.031 195 HB2 PRO 22 HB2 PRO 22 -17.168 46.385 0.069 196 HB3 PRO 22 HB1 PRO 22 -16.863 45.755 -1.552 197 HG2 PRO 22 HG2 PRO 22 -15.834 44.623 0.663 198 HG3 PRO 22 HG1 PRO 22 -14.991 44.593 -0.896 199 HD2 PRO 22 HD2 PRO 22 -14.337 46.073 1.558 200 HD3 PRO 22 HD1 PRO 22 -13.310 45.705 0.164 201 H ARG 23 HN ARG 23 -16.786 48.329 1.065 202 HA ARG 23 HA ARG 23 -18.680 49.947 -0.372 203 HB2 ARG 23 HB2 ARG 23 -18.341 49.302 2.551 204 HB3 ARG 23 HB1 ARG 23 -19.576 50.410 1.961 205 HG2 ARG 23 HG2 ARG 23 -20.490 48.612 0.542 206 HG3 ARG 23 HG1 ARG 23 -19.276 47.507 1.186 207 HD2 ARG 23 HD2 ARG 23 -21.207 48.961 2.977 208 HD3 ARG 23 HD1 ARG 23 -21.630 47.437 2.202 209 HE ARG 23 HE ARG 23 -19.426 46.675 3.364 210 HH11 ARG 23 HH11 ARG 23 -21.811 48.874 4.669 211 HH12 ARG 23 HH12 ARG 23 -21.581 48.355 6.310 212 HH21 ARG 23 HH21 ARG 23 -19.114 45.986 5.530 213 HH22 ARG 23 HH22 ARG 23 -20.047 46.714 6.797 214 H CYS 24 HN CYS 24 -15.830 50.553 1.620 215 HA CYS 24 HA CYS 24 -16.316 53.440 1.580 216 HB2 CYS 24 HB2 CYS 24 -13.802 52.099 2.566 217 HB3 CYS 24 HB1 CYS 24 -14.422 53.686 2.990 218 H GLY 25 HN GLY 25 -15.154 51.263 -0.579 219 HA2 GLY 25 HA2 GLY 25 -12.559 51.714 -1.175 220 HA3 GLY 25 HA1 GLY 25 -13.748 51.319 -2.391 221 HA PRO 26 HA PRO 26 -13.277 55.240 -4.341 222 HB2 PRO 26 HB2 PRO 26 -15.763 56.376 -4.463 223 HB3 PRO 26 HB1 PRO 26 -15.256 55.027 -5.485 224 HG2 PRO 26 HG2 PRO 26 -16.856 54.975 -2.946 225 HG3 PRO 26 HG1 PRO 26 -17.135 54.092 -4.460 226 HD2 PRO 26 HD2 PRO 26 -15.988 52.914 -2.328 227 HD3 PRO 26 HD1 PRO 26 -15.496 52.516 -3.989 228 H GLY 27 HN GLY 27 -12.043 55.924 -2.394 229 HA2 GLY 27 HA2 GLY 27 -11.904 58.364 -1.691 230 HA3 GLY 27 HA1 GLY 27 -13.439 58.058 -0.896 231 H VAL 28 HN VAL 28 -12.314 55.244 -0.263 232 HA VAL 28 HA VAL 28 -10.412 56.023 1.853 233 HB VAL 28 HB VAL 28 -12.702 54.093 2.302 234 HG11 VAL 28 HG11 VAL 28 -12.014 54.187 4.663 235 HG12 VAL 28 HG12 VAL 28 -10.662 55.231 4.225 236 HG13 VAL 28 HG13 VAL 28 -10.725 53.574 3.627 237 HG21 VAL 28 HG21 VAL 28 -13.587 56.362 2.118 238 HG22 VAL 28 HG22 VAL 28 -12.416 56.936 3.306 239 HG23 VAL 28 HG23 VAL 28 -13.677 55.799 3.787 240 H PHE 29 HN PHE 29 -8.628 55.049 1.159 241 HA PHE 29 HA PHE 29 -8.480 52.658 -0.299 242 HB2 PHE 29 HB2 PHE 29 -6.091 52.750 0.096 243 HB3 PHE 29 HB1 PHE 29 -6.683 54.380 -0.201 244 HD1 PHE 29 HD2 PHE 29 -7.181 55.840 1.883 245 HD2 PHE 29 HD1 PHE 29 -4.804 52.304 1.985 246 HE1 PHE 29 HE2 PHE 29 -6.156 56.592 3.989 247 HE2 PHE 29 HE1 PHE 29 -3.778 53.053 4.091 248 HZ PHE 29 HZ PHE 29 -4.453 55.198 5.096 249 H LEU 30 HN LEU 30 -7.531 50.629 0.363 250 HA LEU 30 HA LEU 30 -8.199 49.855 3.122 251 HB2 LEU 30 HB2 LEU 30 -9.281 48.597 1.262 252 HB3 LEU 30 HB1 LEU 30 -7.694 48.124 0.684 253 HG LEU 30 HG LEU 30 -7.322 46.902 2.829 254 HD11 LEU 30 HD11 LEU 30 -10.223 47.564 3.338 255 HD12 LEU 30 HD12 LEU 30 -8.841 48.169 4.254 256 HD13 LEU 30 HD13 LEU 30 -9.234 46.450 4.284 257 HD21 LEU 30 HD21 LEU 30 -8.815 45.030 2.310 258 HD22 LEU 30 HD22 LEU 30 -8.109 45.717 0.848 259 HD23 LEU 30 HD23 LEU 30 -9.781 46.085 1.274 260 H ALA 31 HN ALA 31 -6.434 50.206 4.346 261 HA ALA 31 HA ALA 31 -3.804 50.364 3.384 262 HB1 ALA 31 HB1 ALA 31 -4.535 51.480 5.433 263 HB2 ALA 31 HB2 ALA 31 -3.131 50.454 5.732 264 HB3 ALA 31 HB3 ALA 31 -4.737 49.913 6.218 265 H GLU 32 HN GLU 32 -3.071 48.612 2.307 266 HA GLU 32 HA GLU 32 -3.334 45.939 3.314 267 HB2 GLU 32 HB2 GLU 32 -3.291 46.225 0.930 268 HB3 GLU 32 HB1 GLU 32 -1.772 47.111 1.005 269 HG2 GLU 32 HG2 GLU 32 -0.626 45.081 1.764 270 HG3 GLU 32 HG1 GLU 32 -2.147 44.195 1.683 271 H HIS 33 HN HIS 33 -2.187 45.228 4.958 272 HA HIS 33 HA HIS 33 0.657 45.987 5.176 273 HB2 HIS 33 HB2 HIS 33 -1.107 44.731 7.306 274 HB3 HIS 33 HB1 HIS 33 0.546 45.295 7.514 275 HD1 HIS 33 HD1 HIS 33 0.907 47.851 7.752 276 HD2 HIS 33 HD2 HIS 33 -3.068 46.711 7.360 277 HE1 HIS 33 HE1 HIS 33 -0.441 49.868 8.400 278 HE2 HIS 33 HE2 HIS 33 -2.824 49.048 8.427 279 H ALA 34 HN ALA 34 2.152 44.230 5.645 280 HA ALA 34 HA ALA 34 1.848 42.054 3.909 281 HB1 ALA 34 HB1 ALA 34 3.900 41.186 4.919 282 HB2 ALA 34 HB2 ALA 34 3.730 42.316 6.262 283 HB3 ALA 34 HB3 ALA 34 4.026 42.920 4.632 284 H ASP 35 HN ASP 35 0.939 42.486 7.214 285 HA ASP 35 HA ASP 35 0.514 39.672 7.748 286 HB2 ASP 35 HB2 ASP 35 -0.298 42.101 9.372 287 HB3 ASP 35 HB1 ASP 35 -0.305 40.432 9.932 288 H ARG 36 HN ARG 36 -1.421 42.508 6.910 289 HA ARG 36 HA ARG 36 -3.671 41.042 6.065 290 HB2 ARG 36 HB2 ARG 36 -5.266 41.625 7.869 291 HB3 ARG 36 HB1 ARG 36 -4.002 40.536 8.424 292 HG2 ARG 36 HG2 ARG 36 -2.821 42.439 9.435 293 HG3 ARG 36 HG1 ARG 36 -4.113 43.516 8.904 294 HD2 ARG 36 HD2 ARG 36 -5.716 42.277 10.281 295 HD3 ARG 36 HD1 ARG 36 -4.435 41.180 10.798 296 HE ARG 36 HE ARG 36 -3.534 43.686 11.449 297 HH11 ARG 36 HH11 ARG 36 -6.387 41.805 12.251 298 HH12 ARG 36 HH12 ARG 36 -6.545 42.502 13.827 299 HH21 ARG 36 HH21 ARG 36 -3.767 44.606 13.509 300 HH22 ARG 36 HH22 ARG 36 -5.060 44.089 14.545 301 H TYR 37 HN TYR 37 -5.605 42.479 5.760 302 HA TYR 37 HA TYR 37 -4.761 45.153 4.908 303 HB2 TYR 37 HB2 TYR 37 -7.386 43.743 4.318 304 HB3 TYR 37 HB1 TYR 37 -6.707 45.136 3.484 305 HD1 TYR 37 HD1 TYR 37 -6.439 41.488 3.949 306 HD2 TYR 37 HD2 TYR 37 -5.060 44.858 1.739 307 HE1 TYR 37 HE1 TYR 37 -5.402 39.979 2.311 308 HE2 TYR 37 HE2 TYR 37 -4.025 43.354 0.091 309 HH TYR 37 HH TYR 37 -4.706 40.060 -0.090 310 H SER 38 HN SER 38 -5.893 47.009 5.621 311 HA SER 38 HA SER 38 -7.773 46.598 7.846 312 HB2 SER 38 HB2 SER 38 -6.550 48.345 9.158 313 HB3 SER 38 HB1 SER 38 -5.596 46.882 8.895 314 HG SER 38 HG SER 38 -4.855 48.172 6.924 315 H CYS 39 HN CYS 39 -9.272 48.222 8.159 316 HA CYS 39 HA CYS 39 -9.127 50.588 6.411 317 HB2 CYS 39 HB2 CYS 39 -10.702 49.148 5.325 318 HB3 CYS 39 HB1 CYS 39 -11.504 48.778 6.845 319 H GLY 40 HN GLY 40 -8.361 51.691 8.285 320 HA2 GLY 40 HA2 GLY 40 -9.852 51.977 10.667 321 HA3 GLY 40 HA1 GLY 40 -8.670 53.123 10.046 322 H ARG 41 HN ARG 41 -12.017 52.083 9.773 323 HA ARG 41 HA ARG 41 -13.043 54.713 9.623 324 HB2 ARG 41 HB2 ARG 41 -12.036 54.109 7.226 325 HB3 ARG 41 HB1 ARG 41 -13.559 53.251 7.053 326 HG2 ARG 41 HG2 ARG 41 -13.798 55.436 6.103 327 HG3 ARG 41 HG1 ARG 41 -14.753 55.372 7.588 328 HD2 ARG 41 HD2 ARG 41 -12.943 56.505 8.797 329 HD3 ARG 41 HD1 ARG 41 -11.986 56.560 7.317 330 HE ARG 41 HE ARG 41 -14.611 57.877 7.403 331 HH11 ARG 41 HH11 ARG 41 -11.127 58.073 7.076 332 HH12 ARG 41 HH12 ARG 41 -11.140 59.750 6.631 333 HH21 ARG 41 HH21 ARG 41 -14.623 60.088 6.823 334 HH22 ARG 41 HH22 ARG 41 -13.119 60.900 6.515 335 H CYS 42 HN CYS 42 -13.861 51.525 8.221 336 HA CYS 42 HA CYS 42 -16.268 51.484 9.923 337 HB2 CYS 42 HB2 CYS 42 -17.261 49.915 8.391 338 HB3 CYS 42 HB1 CYS 42 -16.642 51.264 7.453 339 H GLY 43 HN GLY 43 -13.167 50.204 9.607 340 HA2 GLY 43 HA2 GLY 43 -12.106 48.781 11.104 341 HA3 GLY 43 HA1 GLY 43 -13.672 48.319 11.753 342 H TYR 44 HN TYR 44 -13.125 48.215 8.326 343 HA TYR 44 HA TYR 44 -13.515 45.370 8.262 344 HB2 TYR 44 HB2 TYR 44 -14.377 46.845 6.447 345 HB3 TYR 44 HB1 TYR 44 -12.721 47.226 5.989 346 HD1 TYR 44 HD1 TYR 44 -15.115 44.390 6.310 347 HD2 TYR 44 HD2 TYR 44 -11.559 45.839 4.468 348 HE1 TYR 44 HE1 TYR 44 -15.086 42.425 4.833 349 HE2 TYR 44 HE2 TYR 44 -11.523 43.875 2.988 350 HH TYR 44 HH TYR 44 -12.370 41.640 2.855 351 H THR 45 HN THR 45 -11.957 44.031 8.798 352 HA THR 45 HA THR 45 -9.201 44.592 7.932 353 HB THR 45 HB THR 45 -9.971 43.408 10.618 354 HG1 THR 45 HG1 THR 45 -9.262 45.435 11.439 355 HG21 THR 45 HG21 THR 45 -7.804 42.626 9.762 356 HG22 THR 45 HG22 THR 45 -7.591 43.693 11.150 357 HG23 THR 45 HG23 THR 45 -7.292 44.297 9.519 358 H GLU 46 HN GLU 46 -8.325 42.955 6.835 359 HA GLU 46 HA GLU 46 -9.570 40.281 7.008 360 HB2 GLU 46 HB2 GLU 46 -10.377 41.489 5.004 361 HB3 GLU 46 HB1 GLU 46 -8.714 41.744 4.490 362 HG2 GLU 46 HG2 GLU 46 -8.438 39.280 4.346 363 HG3 GLU 46 HG1 GLU 46 -10.151 39.106 4.722 364 H PHE 47 HN PHE 47 -8.057 38.819 7.604 365 HA PHE 47 HA PHE 47 -5.283 39.373 7.611 366 HB2 PHE 47 HB2 PHE 47 -6.838 36.812 7.974 367 HB3 PHE 47 HB1 PHE 47 -5.080 36.857 8.048 368 HD1 PHE 47 HD1 PHE 47 -3.944 38.094 9.849 369 HD2 PHE 47 HD2 PHE 47 -8.182 37.654 9.778 370 HE1 PHE 47 HE1 PHE 47 -4.050 38.738 12.222 371 HE2 PHE 47 HE2 PHE 47 -8.289 38.299 12.148 372 HZ PHE 47 HZ PHE 47 -6.223 38.843 13.373 373 H LYS 48 HN LYS 48 -3.607 38.569 6.348 374 HA LYS 48 HA LYS 48 -4.033 38.535 3.583 375 HB2 LYS 48 HB2 LYS 48 -1.725 37.900 5.372 376 HB3 LYS 48 HB1 LYS 48 -1.616 37.396 3.691 377 HG2 LYS 48 HG2 LYS 48 -2.224 40.225 4.527 378 HG3 LYS 48 HG1 LYS 48 -0.590 39.622 4.241 379 HD2 LYS 48 HD2 LYS 48 -1.270 38.986 1.939 380 HD3 LYS 48 HD1 LYS 48 -2.855 39.700 2.241 381 HE2 LYS 48 HE2 LYS 48 -1.829 41.886 2.571 382 HE3 LYS 48 HE1 LYS 48 -0.224 41.189 2.339 383 HZ1 LYS 48 HZ1 LYS 48 -1.132 42.297 0.341 384 HZ2 LYS 48 HZ2 LYS 48 -2.371 41.151 0.286 385 HZ3 LYS 48 HZ3 LYS 48 -0.761 40.670 0.083 386 H LYS 49 HN LYS 49 -5.288 37.035 2.646 387 HA LYS 49 HA LYS 49 -4.379 34.243 2.866 388 HB2 LYS 49 HB2 LYS 49 -6.678 33.499 2.342 389 HB3 LYS 49 HB1 LYS 49 -6.589 34.369 3.865 390 HG2 LYS 49 HG2 LYS 49 -7.547 36.343 2.845 391 HG3 LYS 49 HG1 LYS 49 -7.528 35.566 1.259 392 HD2 LYS 49 HD2 LYS 49 -9.094 33.862 2.065 393 HD3 LYS 49 HD1 LYS 49 -9.099 34.611 3.662 394 HE2 LYS 49 HE2 LYS 49 -10.023 35.937 1.112 395 HE3 LYS 49 HE1 LYS 49 -11.081 35.207 2.315 396 HZ1 LYS 49 HZ1 LYS 49 -11.031 37.520 2.719 397 HZ2 LYS 49 HZ2 LYS 49 -9.344 37.586 2.653 398 HZ3 LYS 49 HZ3 LYS 49 -10.109 36.806 3.948 399 H ALA 50 HN ALA 50 -3.471 33.568 1.065 400 HA ALA 50 HA ALA 50 -3.711 35.125 -1.371 401 HB1 ALA 50 HB1 ALA 50 -1.914 33.699 -2.214 402 HB2 ALA 50 HB2 ALA 50 -2.041 32.675 -0.783 403 HB3 ALA 50 HB3 ALA 50 -1.507 34.348 -0.626 404 H LYS 51 HN LYS 51 -5.611 34.749 -2.403 405 HA LYS 51 HA LYS 51 -6.836 32.170 -2.512 406 HB2 LYS 51 HB2 LYS 51 -8.210 34.173 -2.554 407 HB3 LYS 51 HB1 LYS 51 -7.452 34.700 -4.053 408 HG2 LYS 51 HG2 LYS 51 -8.484 32.995 -5.307 409 HG3 LYS 51 HG1 LYS 51 -8.937 32.088 -3.862 410 HD2 LYS 51 HD2 LYS 51 -10.055 34.781 -4.671 411 HD3 LYS 51 HD1 LYS 51 -10.867 33.228 -4.876 412 HE2 LYS 51 HE2 LYS 51 -10.684 32.912 -2.387 413 HE3 LYS 51 HE1 LYS 51 -10.109 34.576 -2.284 414 HZ1 LYS 51 HZ1 LYS 51 -12.202 35.300 -3.290 415 HZ2 LYS 51 HZ2 LYS 51 -12.463 34.461 -1.847 416 HZ3 LYS 51 HZ3 LYS 51 -12.748 33.699 -3.329 417 H LYS 52 HN LYS 52 -5.510 30.707 -3.461 418 HA LYS 52 HA LYS 52 -4.364 31.172 -6.084 419 HB2 LYS 52 HB2 LYS 52 -4.447 28.648 -4.402 420 HB3 LYS 52 HB1 LYS 52 -3.468 28.896 -5.844 421 HG2 LYS 52 HG2 LYS 52 -2.199 30.639 -4.710 422 HG3 LYS 52 HG1 LYS 52 -3.212 30.463 -3.277 423 HD2 LYS 52 HD2 LYS 52 -1.120 29.295 -2.935 424 HD3 LYS 52 HD1 LYS 52 -2.431 28.121 -3.051 425 HE2 LYS 52 HE2 LYS 52 -1.823 27.658 -5.372 426 HE3 LYS 52 HE1 LYS 52 -0.541 28.868 -5.292 427 HZ1 LYS 52 HZ1 LYS 52 0.304 26.614 -4.997 428 HZ2 LYS 52 HZ2 LYS 52 -0.679 26.402 -3.635 429 HZ3 LYS 52 HZ3 LYS 52 0.565 27.546 -3.611 430 H SER 53 HN SER 53 -7.245 29.957 -4.736 431 HA SER 53 HA SER 53 -8.049 28.164 -6.780 432 HB2 SER 53 HB2 SER 53 -9.792 29.737 -4.862 433 HB3 SER 53 HB1 SER 53 -10.247 28.276 -5.738 434 HG SER 53 HG SER 53 -9.268 27.112 -4.288 435 H LYS 54 HN LYS 54 -7.915 29.036 -8.812 436 HA LYS 54 HA LYS 54 -9.472 31.473 -9.366 437 HB2 LYS 54 HB2 LYS 54 -8.271 31.576 -11.500 438 HB3 LYS 54 HB1 LYS 54 -7.142 31.509 -10.153 439 HG2 LYS 54 HG2 LYS 54 -6.701 29.171 -10.575 440 HG3 LYS 54 HG1 LYS 54 -7.928 29.137 -11.844 441 HD2 LYS 54 HD2 LYS 54 -6.598 30.804 -13.117 442 HD3 LYS 54 HD1 LYS 54 -5.351 30.722 -11.869 443 HE2 LYS 54 HE2 LYS 54 -4.777 29.311 -13.780 444 HE3 LYS 54 HE1 LYS 54 -5.038 28.339 -12.331 445 HZ1 LYS 54 HZ1 LYS 54 -6.116 27.274 -14.145 446 HZ2 LYS 54 HZ2 LYS 54 -6.898 28.694 -14.614 447 HZ3 LYS 54 HZ3 LYS 54 -7.332 27.930 -13.171 448 H SER 55 HN SER 55 -9.185 28.069 -10.133 449 HA SER 55 HA SER 55 -11.400 28.259 -12.057 450 HB2 SER 55 HB2 SER 55 -9.452 25.974 -11.620 451 HB3 SER 55 HB1 SER 55 -10.608 26.138 -12.944 452 HG SER 55 HG SER 55 -9.103 27.185 -13.951 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 22.741 52.667 11.736 2 H2 MET 1 HT2 MET 1 23.219 52.821 13.348 3 H3 MET 1 HT3 MET 1 23.530 54.068 12.250 4 HA MET 1 HA MET 1 20.855 53.159 13.115 5 HB2 MET 1 HB2 MET 1 22.127 54.357 14.874 6 HB3 MET 1 HB1 MET 1 22.380 55.700 13.769 7 HG2 MET 1 HG2 MET 1 19.660 54.764 14.659 8 HG3 MET 1 HG1 MET 1 20.577 56.025 15.477 9 HE1 MET 1 HE1 MET 1 17.588 56.430 14.352 10 HE2 MET 1 HE2 MET 1 17.747 58.043 13.659 11 HE3 MET 1 HE3 MET 1 18.505 57.670 15.206 12 H GLN 2 HN GLN 2 19.518 53.364 11.451 13 HA GLN 2 HA GLN 2 20.070 55.165 9.252 14 HB2 GLN 2 HB2 GLN 2 19.199 52.931 8.787 15 HB3 GLN 2 HB1 GLN 2 17.777 53.250 9.771 16 HG2 GLN 2 HG2 GLN 2 17.056 54.969 8.198 17 HG3 GLN 2 HG1 GLN 2 18.495 54.691 7.218 18 HE21 GLN 2 HE21 GLN 2 18.639 52.810 5.987 19 HE22 GLN 2 HE22 GLN 2 17.258 51.829 5.639 20 H LYS 3 HN LYS 3 19.188 57.120 8.945 21 HA LYS 3 HA LYS 3 17.466 58.219 10.995 22 HB2 LYS 3 HB2 LYS 3 18.847 59.410 8.590 23 HB3 LYS 3 HB1 LYS 3 17.673 60.324 9.525 24 HG2 LYS 3 HG2 LYS 3 19.854 60.913 10.287 25 HG3 LYS 3 HG1 LYS 3 19.076 59.959 11.548 26 HD2 LYS 3 HD2 LYS 3 20.328 57.968 10.778 27 HD3 LYS 3 HD1 LYS 3 21.128 58.964 9.559 28 HE2 LYS 3 HE2 LYS 3 21.308 59.339 12.554 29 HE3 LYS 3 HE1 LYS 3 22.555 58.643 11.520 30 HZ1 LYS 3 HZ1 LYS 3 22.737 60.755 10.367 31 HZ2 LYS 3 HZ2 LYS 3 23.006 60.964 12.023 32 HZ3 LYS 3 HZ3 LYS 3 21.530 61.426 11.342 33 H ARG 4 HN ARG 4 15.819 59.932 9.843 34 HA ARG 4 HA ARG 4 13.743 58.165 8.930 35 HB2 ARG 4 HB2 ARG 4 12.278 60.116 9.181 36 HB3 ARG 4 HB1 ARG 4 13.284 59.889 10.605 37 HG2 ARG 4 HG2 ARG 4 14.850 61.630 9.467 38 HG3 ARG 4 HG1 ARG 4 13.422 62.029 8.513 39 HD2 ARG 4 HD2 ARG 4 13.375 63.523 10.324 40 HD3 ARG 4 HD1 ARG 4 12.201 62.274 10.746 41 HE ARG 4 HE ARG 4 14.963 62.228 11.786 42 HH11 ARG 4 HH11 ARG 4 11.506 62.113 12.326 43 HH12 ARG 4 HH12 ARG 4 11.659 61.828 14.030 44 HH21 ARG 4 HH21 ARG 4 15.164 61.869 14.022 45 HH22 ARG 4 HH22 ARG 4 13.738 61.686 14.999 46 H GLU 5 HN GLU 5 15.114 57.727 6.913 47 HA GLU 5 HA GLU 5 15.195 59.732 4.874 48 HB2 GLU 5 HB2 GLU 5 15.514 56.739 4.578 49 HB3 GLU 5 HB1 GLU 5 15.983 57.956 3.402 50 HG2 GLU 5 HG2 GLU 5 17.684 58.792 4.924 51 HG3 GLU 5 HG1 GLU 5 17.183 57.620 6.147 52 H LEU 6 HN LEU 6 13.767 56.534 4.355 53 HA LEU 6 HA LEU 6 11.224 57.654 3.505 54 HB2 LEU 6 HB2 LEU 6 13.134 56.276 1.597 55 HB3 LEU 6 HB1 LEU 6 11.435 56.541 1.252 56 HG LEU 6 HG LEU 6 13.460 58.746 1.711 57 HD11 LEU 6 HD11 LEU 6 12.261 57.721 -0.866 58 HD12 LEU 6 HD12 LEU 6 13.935 57.524 -0.347 59 HD13 LEU 6 HD13 LEU 6 13.306 59.132 -0.700 60 HD21 LEU 6 HD21 LEU 6 10.593 58.848 0.753 61 HD22 LEU 6 HD22 LEU 6 11.697 60.219 0.852 62 HD23 LEU 6 HD23 LEU 6 11.184 59.394 2.323 63 H TYR 7 HN TYR 7 10.022 55.674 2.338 64 HA TYR 7 HA TYR 7 10.686 53.123 3.600 65 HB2 TYR 7 HB2 TYR 7 8.238 52.782 4.152 66 HB3 TYR 7 HB1 TYR 7 9.067 53.970 5.147 67 HD1 TYR 7 HD2 TYR 7 8.604 56.388 4.844 68 HD2 TYR 7 HD1 TYR 7 6.409 53.426 2.710 69 HE1 TYR 7 HE2 TYR 7 6.880 58.056 4.310 70 HE2 TYR 7 HE1 TYR 7 4.682 55.091 2.171 71 HH TYR 7 HH TYR 7 5.133 58.400 2.541 72 H GLU 8 HN GLU 8 10.616 51.534 2.148 73 HA GLU 8 HA GLU 8 9.912 52.173 -0.558 74 HB2 GLU 8 HB2 GLU 8 10.714 49.889 -1.074 75 HB3 GLU 8 HB1 GLU 8 11.876 50.826 -0.148 76 HG2 GLU 8 HG2 GLU 8 11.088 49.651 1.906 77 HG3 GLU 8 HG1 GLU 8 10.086 48.630 0.873 78 H ILE 9 HN ILE 9 8.307 51.350 -1.813 79 HA ILE 9 HA ILE 9 6.181 49.796 -0.486 80 HB ILE 9 HB ILE 9 4.515 51.114 -1.787 81 HG12 ILE 9 HG12 ILE 9 6.888 52.905 -2.399 82 HG13 ILE 9 HG11 ILE 9 6.009 51.928 -3.568 83 HG21 ILE 9 HG21 ILE 9 4.937 51.635 0.558 84 HG22 ILE 9 HG22 ILE 9 4.553 53.098 -0.348 85 HG23 ILE 9 HG23 ILE 9 6.227 52.748 0.095 86 HD11 ILE 9 HD11 ILE 9 4.894 54.251 -2.010 87 HD12 ILE 9 HD12 ILE 9 4.001 53.259 -3.163 88 HD13 ILE 9 HD13 ILE 9 5.351 54.248 -3.715 89 H ALA 10 HN ALA 10 4.504 49.262 -2.492 90 HA ALA 10 HA ALA 10 6.176 47.556 -4.188 91 HB1 ALA 10 HB1 ALA 10 4.453 46.472 -2.827 92 HB2 ALA 10 HB2 ALA 10 4.154 46.239 -4.550 93 HB3 ALA 10 HB3 ALA 10 3.208 47.421 -3.643 94 H ASP 11 HN ASP 11 6.796 48.917 -5.867 95 HA ASP 11 HA ASP 11 4.627 49.824 -7.662 96 HB2 ASP 11 HB2 ASP 11 7.533 50.692 -7.539 97 HB3 ASP 11 HB1 ASP 11 6.398 51.206 -8.779 98 H GLY 12 HN GLY 12 7.985 48.648 -7.889 99 HA2 GLY 12 HA2 GLY 12 7.358 47.311 -10.416 100 HA3 GLY 12 HA1 GLY 12 8.962 47.586 -9.753 101 H LYS 13 HN LYS 13 7.659 46.549 -7.108 102 HA LYS 13 HA LYS 13 8.533 43.853 -7.362 103 HB2 LYS 13 HB2 LYS 13 8.617 45.101 -5.219 104 HB3 LYS 13 HB1 LYS 13 6.857 45.112 -5.167 105 HG2 LYS 13 HG2 LYS 13 6.819 42.686 -5.000 106 HG3 LYS 13 HG1 LYS 13 8.578 42.632 -5.136 107 HD2 LYS 13 HD2 LYS 13 8.745 43.944 -3.039 108 HD3 LYS 13 HD1 LYS 13 6.986 43.896 -2.897 109 HE2 LYS 13 HE2 LYS 13 8.004 42.184 -1.495 110 HE3 LYS 13 HE1 LYS 13 7.063 41.445 -2.788 111 HZ1 LYS 13 HZ1 LYS 13 9.102 41.028 -4.003 112 HZ2 LYS 13 HZ2 LYS 13 9.204 40.348 -2.461 113 HZ3 LYS 13 HZ3 LYS 13 10.015 41.790 -2.802 114 H LEU 14 HN LEU 14 7.434 42.699 -8.846 115 HA LEU 14 HA LEU 14 5.776 41.639 -9.960 116 HB2 LEU 14 HB2 LEU 14 4.283 42.013 -7.355 117 HB3 LEU 14 HB1 LEU 14 3.693 41.047 -8.694 118 HG LEU 14 HG LEU 14 6.243 40.496 -7.163 119 HD11 LEU 14 HD11 LEU 14 5.033 38.598 -6.207 120 HD12 LEU 14 HD12 LEU 14 3.560 39.116 -7.027 121 HD13 LEU 14 HD13 LEU 14 4.274 40.128 -5.769 122 HD21 LEU 14 HD21 LEU 14 6.351 39.718 -9.466 123 HD22 LEU 14 HD22 LEU 14 4.806 38.887 -9.277 124 HD23 LEU 14 HD23 LEU 14 6.214 38.354 -8.357 125 H VAL 15 HN VAL 15 3.644 43.688 -8.037 126 HA VAL 15 HA VAL 15 3.199 45.614 -10.140 127 HB VAL 15 HB VAL 15 0.719 45.211 -10.238 128 HG11 VAL 15 HG11 VAL 15 0.766 43.363 -11.837 129 HG12 VAL 15 HG12 VAL 15 2.373 42.906 -11.276 130 HG13 VAL 15 HG13 VAL 15 2.129 44.454 -12.085 131 HG21 VAL 15 HG21 VAL 15 -0.168 43.015 -9.571 132 HG22 VAL 15 HG22 VAL 15 0.465 43.917 -8.194 133 HG23 VAL 15 HG23 VAL 15 1.403 42.596 -8.886 134 H ARG 16 HN ARG 16 1.452 47.223 -9.356 135 HA ARG 16 HA ARG 16 1.726 47.753 -6.553 136 HB2 ARG 16 HB2 ARG 16 -0.035 48.982 -8.685 137 HB3 ARG 16 HB1 ARG 16 -0.071 49.501 -7.004 138 HG2 ARG 16 HG2 ARG 16 2.348 50.036 -7.167 139 HG3 ARG 16 HG1 ARG 16 2.282 49.636 -8.885 140 HD2 ARG 16 HD2 ARG 16 0.737 51.424 -9.304 141 HD3 ARG 16 HD1 ARG 16 0.561 51.744 -7.578 142 HE ARG 16 HE ARG 16 3.254 52.027 -8.157 143 HH11 ARG 16 HH11 ARG 16 0.252 53.570 -9.104 144 HH12 ARG 16 HH12 ARG 16 1.000 55.108 -9.406 145 HH21 ARG 16 HH21 ARG 16 4.221 54.038 -8.512 146 HH22 ARG 16 HH22 ARG 16 3.260 55.384 -9.048 147 H LYS 17 HN LYS 17 1.076 45.608 -5.917 148 HA LYS 17 HA LYS 17 -1.604 44.693 -6.363 149 HB2 LYS 17 HB2 LYS 17 0.511 43.271 -6.097 150 HB3 LYS 17 HB1 LYS 17 0.395 43.589 -4.375 151 HG2 LYS 17 HG2 LYS 17 -1.862 42.335 -5.919 152 HG3 LYS 17 HG1 LYS 17 -0.537 41.381 -5.254 153 HD2 LYS 17 HD2 LYS 17 -1.096 42.361 -3.000 154 HD3 LYS 17 HD1 LYS 17 -2.534 43.069 -3.739 155 HE2 LYS 17 HE2 LYS 17 -3.346 40.858 -4.338 156 HE3 LYS 17 HE1 LYS 17 -1.878 40.119 -3.699 157 HZ1 LYS 17 HZ1 LYS 17 -2.560 41.209 -1.514 158 HZ2 LYS 17 HZ2 LYS 17 -3.436 39.858 -2.027 159 HZ3 LYS 17 HZ3 LYS 17 -4.088 41.403 -2.221 160 H HIS 18 HN HIS 18 -2.798 46.447 -5.516 161 HA HIS 18 HA HIS 18 -3.450 46.046 -2.713 162 HB2 HIS 18 HB2 HIS 18 -2.713 48.777 -3.815 163 HB3 HIS 18 HB1 HIS 18 -3.579 48.534 -2.303 164 HD1 HIS 18 HD1 HIS 18 -1.903 46.267 -1.079 165 HD2 HIS 18 HD2 HIS 18 -0.274 49.600 -2.953 166 HE1 HIS 18 HE1 HIS 18 0.401 46.529 -0.106 167 HE2 HIS 18 HE2 HIS 18 1.332 48.604 -1.192 168 H ARG 19 HN ARG 19 -5.600 46.738 -2.211 169 HA ARG 19 HA ARG 19 -7.228 47.653 -4.472 170 HB2 ARG 19 HB2 ARG 19 -7.808 45.192 -2.801 171 HB3 ARG 19 HB1 ARG 19 -8.995 45.967 -3.844 172 HG2 ARG 19 HG2 ARG 19 -7.522 45.558 -5.783 173 HG3 ARG 19 HG1 ARG 19 -6.389 44.720 -4.722 174 HD2 ARG 19 HD2 ARG 19 -8.059 43.033 -4.220 175 HD3 ARG 19 HD1 ARG 19 -9.262 43.903 -5.177 176 HE ARG 19 HE ARG 19 -6.952 43.281 -6.721 177 HH11 ARG 19 HH11 ARG 19 -9.855 41.829 -5.401 178 HH12 ARG 19 HH12 ARG 19 -10.003 40.670 -6.686 179 HH21 ARG 19 HH21 ARG 19 -7.117 41.750 -8.371 180 HH22 ARG 19 HH22 ARG 19 -8.428 40.607 -8.374 181 H PHE 20 HN PHE 20 -9.538 48.119 -3.643 182 HA PHE 20 HA PHE 20 -9.189 49.843 -1.301 183 HB2 PHE 20 HB2 PHE 20 -11.349 49.808 -3.429 184 HB3 PHE 20 HB1 PHE 20 -11.234 50.976 -2.117 185 HD1 PHE 20 HD1 PHE 20 -9.678 49.816 -5.252 186 HD2 PHE 20 HD2 PHE 20 -9.696 52.800 -2.212 187 HE1 PHE 20 HE1 PHE 20 -8.245 51.246 -6.650 188 HE2 PHE 20 HE2 PHE 20 -8.266 54.234 -3.605 189 HZ PHE 20 HZ PHE 20 -7.539 53.459 -5.828 190 H CYS 21 HN CYS 21 -11.088 50.132 0.126 191 HA CYS 21 HA CYS 21 -12.140 47.611 1.055 192 HB2 CYS 21 HB2 CYS 21 -11.509 49.387 2.624 193 HB3 CYS 21 HB1 CYS 21 -12.676 50.474 1.898 194 HA PRO 22 HA PRO 22 -15.360 47.351 -1.970 195 HB2 PRO 22 HB2 PRO 22 -16.977 46.357 0.343 196 HB3 PRO 22 HB1 PRO 22 -16.794 45.676 -1.277 197 HG2 PRO 22 HG2 PRO 22 -15.493 44.683 0.858 198 HG3 PRO 22 HG1 PRO 22 -14.791 44.659 -0.768 199 HD2 PRO 22 HD2 PRO 22 -14.040 46.279 1.581 200 HD3 PRO 22 HD1 PRO 22 -13.091 45.886 0.137 201 H ARG 23 HN ARG 23 -16.482 48.417 1.253 202 HA ARG 23 HA ARG 23 -18.681 49.861 0.093 203 HB2 ARG 23 HB2 ARG 23 -17.750 49.954 2.967 204 HB3 ARG 23 HB1 ARG 23 -19.340 50.380 2.351 205 HG2 ARG 23 HG2 ARG 23 -18.125 47.623 2.416 206 HG3 ARG 23 HG1 ARG 23 -19.407 48.230 3.462 207 HD2 ARG 23 HD2 ARG 23 -20.910 48.421 1.580 208 HD3 ARG 23 HD1 ARG 23 -19.619 47.986 0.459 209 HE ARG 23 HE ARG 23 -19.807 45.907 2.268 210 HH11 ARG 23 HH11 ARG 23 -21.925 47.424 -0.073 211 HH12 ARG 23 HH12 ARG 23 -22.769 45.958 -0.446 212 HH21 ARG 23 HH21 ARG 23 -20.925 43.985 1.790 213 HH22 ARG 23 HH22 ARG 23 -22.214 44.001 0.627 214 H CYS 24 HN CYS 24 -15.820 50.828 2.017 215 HA CYS 24 HA CYS 24 -16.339 53.634 1.635 216 HB2 CYS 24 HB2 CYS 24 -13.707 52.522 2.588 217 HB3 CYS 24 HB1 CYS 24 -14.461 54.053 2.997 218 H GLY 25 HN GLY 25 -15.235 51.436 -0.494 219 HA2 GLY 25 HA2 GLY 25 -12.740 51.962 -1.375 220 HA3 GLY 25 HA1 GLY 25 -14.050 51.544 -2.458 221 HA PRO 26 HA PRO 26 -14.001 55.619 -4.241 222 HB2 PRO 26 HB2 PRO 26 -16.498 56.690 -3.916 223 HB3 PRO 26 HB1 PRO 26 -16.138 55.411 -5.083 224 HG2 PRO 26 HG2 PRO 26 -17.328 55.189 -2.337 225 HG3 PRO 26 HG1 PRO 26 -17.814 54.375 -3.837 226 HD2 PRO 26 HD2 PRO 26 -16.325 53.132 -1.957 227 HD3 PRO 26 HD1 PRO 26 -16.110 52.807 -3.690 228 H GLY 27 HN GLY 27 -12.496 56.189 -2.458 229 HA2 GLY 27 HA2 GLY 27 -12.256 58.585 -1.639 230 HA3 GLY 27 HA1 GLY 27 -13.641 58.210 -0.626 231 H VAL 28 HN VAL 28 -12.539 55.404 -0.274 232 HA VAL 28 HA VAL 28 -10.275 56.000 1.513 233 HB VAL 28 HB VAL 28 -12.710 54.382 2.311 234 HG11 VAL 28 HG11 VAL 28 -11.610 54.164 4.505 235 HG12 VAL 28 HG12 VAL 28 -10.178 54.960 3.856 236 HG13 VAL 28 HG13 VAL 28 -10.680 53.394 3.219 237 HG21 VAL 28 HG21 VAL 28 -11.687 57.025 3.372 238 HG22 VAL 28 HG22 VAL 28 -13.046 56.110 4.030 239 HG23 VAL 28 HG23 VAL 28 -13.141 56.783 2.402 240 H PHE 29 HN PHE 29 -8.657 54.694 1.081 241 HA PHE 29 HA PHE 29 -8.923 52.382 -0.584 242 HB2 PHE 29 HB2 PHE 29 -6.479 52.156 -0.263 243 HB3 PHE 29 HB1 PHE 29 -6.934 53.786 -0.737 244 HD1 PHE 29 HD1 PHE 29 -6.798 55.634 0.875 245 HD2 PHE 29 HD2 PHE 29 -5.501 51.707 1.895 246 HE1 PHE 29 HE1 PHE 29 -5.580 56.541 2.811 247 HE2 PHE 29 HE2 PHE 29 -4.283 52.606 3.831 248 HZ PHE 29 HZ PHE 29 -4.323 55.028 4.292 249 H LEU 30 HN LEU 30 -7.173 50.554 0.435 250 HA LEU 30 HA LEU 30 -8.176 49.795 3.091 251 HB2 LEU 30 HB2 LEU 30 -9.405 48.558 1.290 252 HB3 LEU 30 HB1 LEU 30 -7.875 47.900 0.746 253 HG LEU 30 HG LEU 30 -7.603 46.709 2.873 254 HD11 LEU 30 HD11 LEU 30 -8.760 48.272 4.345 255 HD12 LEU 30 HD12 LEU 30 -9.425 46.647 4.508 256 HD13 LEU 30 HD13 LEU 30 -10.302 47.870 3.586 257 HD21 LEU 30 HD21 LEU 30 -10.299 46.241 1.583 258 HD22 LEU 30 HD22 LEU 30 -9.414 45.086 2.581 259 HD23 LEU 30 HD23 LEU 30 -8.755 45.594 1.028 260 H ALA 31 HN ALA 31 -6.417 49.873 4.330 261 HA ALA 31 HA ALA 31 -3.786 49.943 3.303 262 HB1 ALA 31 HB1 ALA 31 -4.695 49.568 6.161 263 HB2 ALA 31 HB2 ALA 31 -4.436 51.115 5.353 264 HB3 ALA 31 HB3 ALA 31 -3.073 50.031 5.641 265 H GLU 32 HN GLU 32 -3.109 48.138 2.261 266 HA GLU 32 HA GLU 32 -3.456 45.515 3.444 267 HB2 GLU 32 HB2 GLU 32 -3.661 45.787 1.011 268 HB3 GLU 32 HB1 GLU 32 -2.002 46.360 0.926 269 HG2 GLU 32 HG2 GLU 32 -1.164 44.205 1.608 270 HG3 GLU 32 HG1 GLU 32 -2.799 43.615 1.895 271 H HIS 33 HN HIS 33 -2.286 45.590 5.311 272 HA HIS 33 HA HIS 33 0.546 46.208 5.286 273 HB2 HIS 33 HB2 HIS 33 -1.165 44.980 7.474 274 HB3 HIS 33 HB1 HIS 33 0.480 45.571 7.666 275 HD1 HIS 33 HD1 HIS 33 0.789 48.224 7.453 276 HD2 HIS 33 HD2 HIS 33 -3.128 46.868 7.775 277 HE1 HIS 33 HE1 HIS 33 -0.572 50.237 8.087 278 HE2 HIS 33 HE2 HIS 33 -2.890 49.342 8.492 279 H ALA 34 HN ALA 34 2.143 44.573 5.996 280 HA ALA 34 HA ALA 34 2.066 42.274 4.389 281 HB1 ALA 34 HB1 ALA 34 4.156 43.318 5.108 282 HB2 ALA 34 HB2 ALA 34 4.124 41.607 5.533 283 HB3 ALA 34 HB3 ALA 34 3.838 42.830 6.772 284 H ASP 35 HN ASP 35 0.773 42.865 7.500 285 HA ASP 35 HA ASP 35 0.552 40.070 8.253 286 HB2 ASP 35 HB2 ASP 35 -0.577 42.585 9.521 287 HB3 ASP 35 HB1 ASP 35 -0.760 40.969 10.191 288 H ARG 36 HN ARG 36 -1.510 42.645 6.983 289 HA ARG 36 HA ARG 36 -3.420 41.006 5.804 290 HB2 ARG 36 HB2 ARG 36 -5.325 41.316 7.424 291 HB3 ARG 36 HB1 ARG 36 -4.068 40.207 7.959 292 HG2 ARG 36 HG2 ARG 36 -3.088 42.138 9.263 293 HG3 ARG 36 HG1 ARG 36 -4.573 43.021 8.899 294 HD2 ARG 36 HD2 ARG 36 -5.901 41.437 10.069 295 HD3 ARG 36 HD1 ARG 36 -4.553 40.307 10.204 296 HE ARG 36 HE ARG 36 -4.253 42.912 11.481 297 HH11 ARG 36 HH11 ARG 36 -4.842 39.482 11.795 298 HH12 ARG 36 HH12 ARG 36 -4.566 39.454 13.504 299 HH21 ARG 36 HH21 ARG 36 -3.852 42.882 13.729 300 HH22 ARG 36 HH22 ARG 36 -3.981 41.388 14.600 301 H TYR 37 HN TYR 37 -5.678 42.306 5.777 302 HA TYR 37 HA TYR 37 -5.037 45.012 4.860 303 HB2 TYR 37 HB2 TYR 37 -7.490 43.256 4.549 304 HB3 TYR 37 HB1 TYR 37 -7.430 44.924 4.006 305 HD1 TYR 37 HD2 TYR 37 -5.915 41.561 3.465 306 HD2 TYR 37 HD1 TYR 37 -6.538 45.475 1.905 307 HE1 TYR 37 HE2 TYR 37 -5.073 40.820 1.272 308 HE2 TYR 37 HE1 TYR 37 -5.701 44.747 -0.281 309 HH TYR 37 HH TYR 37 -4.272 43.031 -1.212 310 H SER 38 HN SER 38 -6.038 46.841 5.749 311 HA SER 38 HA SER 38 -7.991 46.460 7.888 312 HB2 SER 38 HB2 SER 38 -5.766 46.491 9.003 313 HB3 SER 38 HB1 SER 38 -5.452 48.073 8.292 314 HG SER 38 HG SER 38 -6.240 48.452 10.311 315 H CYS 39 HN CYS 39 -9.348 48.199 8.204 316 HA CYS 39 HA CYS 39 -8.981 50.539 6.441 317 HB2 CYS 39 HB2 CYS 39 -10.632 49.132 5.403 318 HB3 CYS 39 HB1 CYS 39 -11.489 48.931 6.916 319 H GLY 40 HN GLY 40 -8.247 51.795 8.174 320 HA2 GLY 40 HA2 GLY 40 -9.675 52.183 10.589 321 HA3 GLY 40 HA1 GLY 40 -8.506 53.297 9.891 322 H ARG 41 HN ARG 41 -11.850 52.207 9.608 323 HA ARG 41 HA ARG 41 -12.938 54.800 9.395 324 HB2 ARG 41 HB2 ARG 41 -11.819 54.175 7.030 325 HB3 ARG 41 HB1 ARG 41 -13.351 53.344 6.810 326 HG2 ARG 41 HG2 ARG 41 -13.495 55.543 5.846 327 HG3 ARG 41 HG1 ARG 41 -14.531 55.477 7.276 328 HD2 ARG 41 HD2 ARG 41 -12.827 56.605 8.593 329 HD3 ARG 41 HD1 ARG 41 -11.728 56.604 7.215 330 HE ARG 41 HE ARG 41 -14.234 57.938 6.712 331 HH11 ARG 41 HH11 ARG 41 -10.970 58.286 7.918 332 HH12 ARG 41 HH12 ARG 41 -10.942 60.010 7.721 333 HH21 ARG 41 HH21 ARG 41 -14.184 60.205 6.404 334 HH22 ARG 41 HH22 ARG 41 -12.757 61.096 6.830 335 H CYS 42 HN CYS 42 -13.296 51.363 8.598 336 HA CYS 42 HA CYS 42 -15.864 51.375 10.019 337 HB2 CYS 42 HB2 CYS 42 -16.987 50.036 8.378 338 HB3 CYS 42 HB1 CYS 42 -16.298 51.416 7.533 339 H GLY 43 HN GLY 43 -12.822 50.196 9.889 340 HA2 GLY 43 HA2 GLY 43 -11.858 48.568 11.210 341 HA3 GLY 43 HA1 GLY 43 -13.466 48.067 11.710 342 H TYR 44 HN TYR 44 -13.019 48.236 8.339 343 HA TYR 44 HA TYR 44 -13.449 45.472 7.963 344 HB2 TYR 44 HB2 TYR 44 -14.062 47.261 6.305 345 HB3 TYR 44 HB1 TYR 44 -12.354 47.434 5.924 346 HD1 TYR 44 HD2 TYR 44 -15.315 45.302 5.579 347 HD2 TYR 44 HD1 TYR 44 -11.185 45.711 4.624 348 HE1 TYR 44 HE2 TYR 44 -15.529 43.513 3.908 349 HE2 TYR 44 HE1 TYR 44 -11.393 43.924 2.947 350 HH TYR 44 HH TYR 44 -12.849 42.006 2.468 351 H THR 45 HN THR 45 -11.997 44.068 8.676 352 HA THR 45 HA THR 45 -9.175 44.406 7.885 353 HB THR 45 HB THR 45 -10.276 43.017 10.348 354 HG1 THR 45 HG1 THR 45 -8.523 44.979 10.876 355 HG21 THR 45 HG21 THR 45 -8.268 41.889 9.510 356 HG22 THR 45 HG22 THR 45 -7.922 42.749 11.012 357 HG23 THR 45 HG23 THR 45 -7.410 43.431 9.467 358 H GLU 46 HN GLU 46 -8.262 42.765 6.768 359 HA GLU 46 HA GLU 46 -9.726 40.220 6.512 360 HB2 GLU 46 HB2 GLU 46 -10.310 41.582 4.565 361 HB3 GLU 46 HB1 GLU 46 -8.612 41.885 4.234 362 HG2 GLU 46 HG2 GLU 46 -9.578 40.215 2.725 363 HG3 GLU 46 HG1 GLU 46 -8.253 39.564 3.688 364 H PHE 47 HN PHE 47 -8.395 38.702 7.238 365 HA PHE 47 HA PHE 47 -5.694 39.005 7.797 366 HB2 PHE 47 HB2 PHE 47 -7.256 36.460 7.291 367 HB3 PHE 47 HB1 PHE 47 -5.641 36.513 7.993 368 HD1 PHE 47 HD1 PHE 47 -5.527 38.385 9.989 369 HD2 PHE 47 HD2 PHE 47 -8.940 36.116 8.823 370 HE1 PHE 47 HE1 PHE 47 -6.484 38.668 12.241 371 HE2 PHE 47 HE2 PHE 47 -9.899 36.397 11.071 372 HZ PHE 47 HZ PHE 47 -8.672 37.673 12.783 373 H LYS 48 HN LYS 48 -3.769 38.315 6.828 374 HA LYS 48 HA LYS 48 -3.686 38.309 3.978 375 HB2 LYS 48 HB2 LYS 48 -1.691 37.989 6.155 376 HB3 LYS 48 HB1 LYS 48 -1.258 37.287 4.605 377 HG2 LYS 48 HG2 LYS 48 -2.140 40.147 4.921 378 HG3 LYS 48 HG1 LYS 48 -0.457 39.636 5.024 379 HD2 LYS 48 HD2 LYS 48 -0.591 38.734 2.743 380 HD3 LYS 48 HD1 LYS 48 -2.279 39.240 2.640 381 HE2 LYS 48 HE2 LYS 48 -1.661 41.556 2.780 382 HE3 LYS 48 HE1 LYS 48 0.013 41.140 3.144 383 HZ1 LYS 48 HZ1 LYS 48 -0.430 41.830 0.801 384 HZ2 LYS 48 HZ2 LYS 48 -1.313 40.404 0.596 385 HZ3 LYS 48 HZ3 LYS 48 0.334 40.332 0.966 386 H LYS 49 HN LYS 49 -5.306 36.636 3.670 387 HA LYS 49 HA LYS 49 -4.058 33.967 3.545 388 HB2 LYS 49 HB2 LYS 49 -6.213 34.067 4.792 389 HB3 LYS 49 HB1 LYS 49 -7.001 34.689 3.346 390 HG2 LYS 49 HG2 LYS 49 -6.548 32.635 2.160 391 HG3 LYS 49 HG1 LYS 49 -5.619 32.016 3.526 392 HD2 LYS 49 HD2 LYS 49 -7.672 32.094 4.911 393 HD3 LYS 49 HD1 LYS 49 -8.582 32.622 3.490 394 HE2 LYS 49 HE2 LYS 49 -8.797 30.198 3.898 395 HE3 LYS 49 HE1 LYS 49 -8.053 30.553 2.340 396 HZ1 LYS 49 HZ1 LYS 49 -5.902 30.063 3.261 397 HZ2 LYS 49 HZ2 LYS 49 -6.937 28.756 3.557 398 HZ3 LYS 49 HZ3 LYS 49 -6.559 29.834 4.803 399 H ALA 50 HN ALA 50 -5.021 36.705 1.850 400 HA ALA 50 HA ALA 50 -5.579 35.688 -0.705 401 HB1 ALA 50 HB1 ALA 50 -4.321 38.331 0.050 402 HB2 ALA 50 HB2 ALA 50 -6.051 37.998 -0.037 403 HB3 ALA 50 HB3 ALA 50 -5.068 37.940 -1.500 404 H LYS 51 HN LYS 51 -4.123 34.034 -1.154 405 HA LYS 51 HA LYS 51 -1.394 34.921 -1.852 406 HB2 LYS 51 HB2 LYS 51 -1.420 33.228 -0.059 407 HB3 LYS 51 HB1 LYS 51 -2.321 32.138 -1.104 408 HG2 LYS 51 HG2 LYS 51 -0.479 31.891 -2.590 409 HG3 LYS 51 HG1 LYS 51 0.400 33.213 -1.819 410 HD2 LYS 51 HD2 LYS 51 -0.292 30.559 -0.547 411 HD3 LYS 51 HD1 LYS 51 1.299 31.045 -1.140 412 HE2 LYS 51 HE2 LYS 51 1.360 32.865 0.488 413 HE3 LYS 51 HE1 LYS 51 -0.239 32.412 1.072 414 HZ1 LYS 51 HZ1 LYS 51 2.240 30.787 1.249 415 HZ2 LYS 51 HZ2 LYS 51 0.709 30.231 1.692 416 HZ3 LYS 51 HZ3 LYS 51 1.414 31.520 2.532 417 H LYS 52 HN LYS 52 -3.977 32.636 -2.662 418 HA LYS 52 HA LYS 52 -3.794 33.366 -5.459 419 HB2 LYS 52 HB2 LYS 52 -2.175 31.508 -5.276 420 HB3 LYS 52 HB1 LYS 52 -3.419 30.490 -4.565 421 HG2 LYS 52 HG2 LYS 52 -4.704 30.592 -6.644 422 HG3 LYS 52 HG1 LYS 52 -3.472 31.636 -7.358 423 HD2 LYS 52 HD2 LYS 52 -1.813 29.850 -7.141 424 HD3 LYS 52 HD1 LYS 52 -3.017 28.807 -6.380 425 HE2 LYS 52 HE2 LYS 52 -4.345 28.817 -8.423 426 HE3 LYS 52 HE1 LYS 52 -3.202 29.924 -9.180 427 HZ1 LYS 52 HZ1 LYS 52 -1.496 28.225 -9.003 428 HZ2 LYS 52 HZ2 LYS 52 -2.821 27.653 -9.882 429 HZ3 LYS 52 HZ3 LYS 52 -2.595 27.162 -8.281 430 H SER 53 HN SER 53 -5.829 34.270 -4.774 431 HA SER 53 HA SER 53 -7.991 32.360 -4.279 432 HB2 SER 53 HB2 SER 53 -8.197 35.379 -4.436 433 HB3 SER 53 HB1 SER 53 -9.328 34.256 -3.679 434 HG SER 53 HG SER 53 -7.904 33.909 -2.039 435 H LYS 54 HN LYS 54 -7.263 35.074 -6.460 436 HA LYS 54 HA LYS 54 -8.404 33.653 -8.715 437 HB2 LYS 54 HB2 LYS 54 -10.377 34.739 -7.778 438 HB3 LYS 54 HB1 LYS 54 -9.537 36.283 -7.724 439 HG2 LYS 54 HG2 LYS 54 -9.441 36.340 -10.161 440 HG3 LYS 54 HG1 LYS 54 -10.239 34.765 -10.237 441 HD2 LYS 54 HD2 LYS 54 -12.226 35.704 -9.165 442 HD3 LYS 54 HD1 LYS 54 -11.426 37.270 -9.025 443 HE2 LYS 54 HE2 LYS 54 -11.358 37.502 -11.430 444 HE3 LYS 54 HE1 LYS 54 -12.000 35.872 -11.640 445 HZ1 LYS 54 HZ1 LYS 54 -13.729 37.515 -11.932 446 HZ2 LYS 54 HZ2 LYS 54 -13.430 38.162 -10.395 447 HZ3 LYS 54 HZ3 LYS 54 -14.044 36.594 -10.548 448 H SER 55 HN SER 55 -6.677 33.779 -10.010 449 HA SER 55 HA SER 55 -5.010 36.147 -10.102 450 HB2 SER 55 HB2 SER 55 -3.976 33.905 -10.222 451 HB3 SER 55 HB1 SER 55 -4.864 33.569 -11.708 452 HG SER 55 HG SER 55 -3.624 34.994 -12.796 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -11.792 45.620 16.151 2 H2 MET 1 HT2 MET 1 -11.327 45.894 17.753 3 H3 MET 1 HT3 MET 1 -12.846 46.402 17.218 4 HA MET 1 HA MET 1 -11.942 43.591 17.372 5 HB2 MET 1 HB2 MET 1 -13.821 45.155 19.167 6 HB3 MET 1 HB1 MET 1 -13.602 43.411 19.235 7 HG2 MET 1 HG2 MET 1 -11.249 43.731 19.821 8 HG3 MET 1 HG1 MET 1 -11.471 45.478 19.754 9 HE1 MET 1 HE1 MET 1 -13.876 46.133 22.768 10 HE2 MET 1 HE2 MET 1 -14.347 45.873 21.089 11 HE3 MET 1 HE3 MET 1 -12.934 46.859 21.465 12 H GLN 2 HN GLN 2 -12.668 43.361 15.198 13 HA GLN 2 HA GLN 2 -15.526 42.830 15.027 14 HB2 GLN 2 HB2 GLN 2 -14.067 44.668 13.111 15 HB3 GLN 2 HB1 GLN 2 -15.613 43.917 12.737 16 HG2 GLN 2 HG2 GLN 2 -16.639 45.068 14.630 17 HG3 GLN 2 HG1 GLN 2 -15.088 45.809 15.026 18 HE21 GLN 2 HE21 GLN 2 -14.292 47.461 13.725 19 HE22 GLN 2 HE22 GLN 2 -15.285 48.291 12.575 20 H LYS 3 HN LYS 3 -16.052 41.581 13.071 21 HA LYS 3 HA LYS 3 -15.784 39.898 11.597 22 HB2 LYS 3 HB2 LYS 3 -14.181 41.280 10.411 23 HB3 LYS 3 HB1 LYS 3 -12.900 40.813 11.521 24 HG2 LYS 3 HG2 LYS 3 -12.992 38.521 10.715 25 HG3 LYS 3 HG1 LYS 3 -14.339 38.927 9.652 26 HD2 LYS 3 HD2 LYS 3 -11.614 40.217 9.484 27 HD3 LYS 3 HD1 LYS 3 -12.093 38.815 8.529 28 HE2 LYS 3 HE2 LYS 3 -13.528 41.473 8.493 29 HE3 LYS 3 HE1 LYS 3 -12.303 40.986 7.322 30 HZ1 LYS 3 HZ1 LYS 3 -14.867 39.565 7.806 31 HZ2 LYS 3 HZ2 LYS 3 -13.702 39.151 6.650 32 HZ3 LYS 3 HZ3 LYS 3 -14.559 40.603 6.508 33 H ARG 4 HN ARG 4 -16.290 38.189 12.830 34 HA ARG 4 HA ARG 4 -14.436 36.889 14.589 35 HB2 ARG 4 HB2 ARG 4 -16.992 36.769 14.718 36 HB3 ARG 4 HB1 ARG 4 -16.920 35.667 13.351 37 HG2 ARG 4 HG2 ARG 4 -15.467 34.169 14.715 38 HG3 ARG 4 HG1 ARG 4 -15.728 35.245 16.088 39 HD2 ARG 4 HD2 ARG 4 -17.800 33.632 14.601 40 HD3 ARG 4 HD1 ARG 4 -17.252 33.395 16.259 41 HE ARG 4 HE ARG 4 -18.782 35.761 15.361 42 HH11 ARG 4 HH11 ARG 4 -18.036 33.337 17.792 43 HH12 ARG 4 HH12 ARG 4 -19.304 33.845 18.859 44 HH21 ARG 4 HH21 ARG 4 -20.438 36.429 16.795 45 HH22 ARG 4 HH22 ARG 4 -20.655 35.591 18.299 46 H GLU 5 HN GLU 5 -13.015 35.258 14.090 47 HA GLU 5 HA GLU 5 -12.360 34.962 11.297 48 HB2 GLU 5 HB2 GLU 5 -11.043 33.839 13.779 49 HB3 GLU 5 HB1 GLU 5 -10.395 33.703 12.148 50 HG2 GLU 5 HG2 GLU 5 -10.229 36.146 12.016 51 HG3 GLU 5 HG1 GLU 5 -10.868 36.271 13.655 52 H LEU 6 HN LEU 6 -14.612 33.866 11.181 53 HA LEU 6 HA LEU 6 -14.613 31.043 11.772 54 HB2 LEU 6 HB2 LEU 6 -16.483 32.730 10.099 55 HB3 LEU 6 HB1 LEU 6 -16.743 31.037 10.481 56 HG LEU 6 HG LEU 6 -16.639 33.302 12.486 57 HD11 LEU 6 HD11 LEU 6 -18.671 33.344 11.146 58 HD12 LEU 6 HD12 LEU 6 -19.021 32.843 12.799 59 HD13 LEU 6 HD13 LEU 6 -18.963 31.643 11.507 60 HD21 LEU 6 HD21 LEU 6 -17.190 30.358 12.886 61 HD22 LEU 6 HD22 LEU 6 -17.341 31.610 14.119 62 HD23 LEU 6 HD23 LEU 6 -15.760 31.236 13.436 63 H TYR 7 HN TYR 7 -14.153 33.097 8.947 64 HA TYR 7 HA TYR 7 -12.416 31.200 7.749 65 HB2 TYR 7 HB2 TYR 7 -13.714 30.870 5.634 66 HB3 TYR 7 HB1 TYR 7 -14.413 30.070 7.032 67 HD1 TYR 7 HD1 TYR 7 -16.557 30.840 7.968 68 HD2 TYR 7 HD2 TYR 7 -14.870 32.708 4.533 69 HE1 TYR 7 HE1 TYR 7 -18.725 31.897 7.482 70 HE2 TYR 7 HE2 TYR 7 -17.029 33.768 4.043 71 HH TYR 7 HH TYR 7 -19.302 33.609 4.491 72 H GLU 8 HN GLU 8 -10.867 32.580 7.274 73 HA GLU 8 HA GLU 8 -11.371 35.245 6.310 74 HB2 GLU 8 HB2 GLU 8 -8.870 35.337 6.126 75 HB3 GLU 8 HB1 GLU 8 -9.473 34.922 7.724 76 HG2 GLU 8 HG2 GLU 8 -9.103 32.479 7.016 77 HG3 GLU 8 HG1 GLU 8 -8.130 33.154 5.708 78 H ILE 9 HN ILE 9 -10.515 36.071 4.243 79 HA ILE 9 HA ILE 9 -11.432 34.345 2.127 80 HB ILE 9 HB ILE 9 -11.207 36.204 0.636 81 HG12 ILE 9 HG12 ILE 9 -9.750 37.695 2.845 82 HG13 ILE 9 HG11 ILE 9 -8.959 36.964 1.453 83 HG21 ILE 9 HG21 ILE 9 -12.171 37.175 3.332 84 HG22 ILE 9 HG22 ILE 9 -13.117 36.268 2.151 85 HG23 ILE 9 HG23 ILE 9 -12.568 37.900 1.772 86 HD11 ILE 9 HD11 ILE 9 -10.984 39.189 1.364 87 HD12 ILE 9 HD12 ILE 9 -10.192 38.457 -0.032 88 HD13 ILE 9 HD13 ILE 9 -9.241 39.349 1.155 89 H ALA 10 HN ALA 10 -10.242 33.933 0.166 90 HA ALA 10 HA ALA 10 -7.341 33.618 0.597 91 HB1 ALA 10 HB1 ALA 10 -8.557 31.514 0.264 92 HB2 ALA 10 HB2 ALA 10 -7.440 31.823 -1.065 93 HB3 ALA 10 HB3 ALA 10 -9.167 32.107 -1.281 94 H ASP 11 HN ASP 11 -9.825 34.904 -1.460 95 HA ASP 11 HA ASP 11 -9.858 36.162 -3.340 96 HB2 ASP 11 HB2 ASP 11 -8.958 37.814 -1.785 97 HB3 ASP 11 HB1 ASP 11 -7.319 37.253 -2.100 98 H GLY 12 HN GLY 12 -6.361 36.345 -3.424 99 HA2 GLY 12 HA2 GLY 12 -4.801 35.261 -4.725 100 HA3 GLY 12 HA1 GLY 12 -6.043 34.130 -5.229 101 H LYS 13 HN LYS 13 -3.981 35.422 -6.795 102 HA LYS 13 HA LYS 13 -3.718 36.145 -8.919 103 HB2 LYS 13 HB2 LYS 13 -5.868 34.716 -9.182 104 HB3 LYS 13 HB1 LYS 13 -6.719 36.253 -9.248 105 HG2 LYS 13 HG2 LYS 13 -5.388 36.904 -11.199 106 HG3 LYS 13 HG1 LYS 13 -4.530 35.364 -11.125 107 HD2 LYS 13 HD2 LYS 13 -6.641 34.172 -11.511 108 HD3 LYS 13 HD1 LYS 13 -7.498 35.715 -11.586 109 HE2 LYS 13 HE2 LYS 13 -6.160 36.364 -13.537 110 HE3 LYS 13 HE1 LYS 13 -5.291 34.832 -13.453 111 HZ1 LYS 13 HZ1 LYS 13 -7.035 34.768 -15.116 112 HZ2 LYS 13 HZ2 LYS 13 -8.202 35.143 -13.951 113 HZ3 LYS 13 HZ3 LYS 13 -7.369 33.673 -13.871 114 H LEU 14 HN LEU 14 -4.849 38.021 -10.476 115 HA LEU 14 HA LEU 14 -5.250 40.203 -10.837 116 HB2 LEU 14 HB2 LEU 14 -5.976 40.235 -7.907 117 HB3 LEU 14 HB1 LEU 14 -5.964 41.691 -8.881 118 HG LEU 14 HG LEU 14 -8.224 40.935 -8.744 119 HD11 LEU 14 HD11 LEU 14 -7.556 41.810 -10.915 120 HD12 LEU 14 HD12 LEU 14 -8.805 40.578 -11.081 121 HD13 LEU 14 HD13 LEU 14 -7.125 40.184 -11.451 122 HD21 LEU 14 HD21 LEU 14 -8.963 38.720 -9.440 123 HD22 LEU 14 HD22 LEU 14 -7.813 38.612 -8.108 124 HD23 LEU 14 HD23 LEU 14 -7.293 38.247 -9.753 125 H VAL 15 HN VAL 15 -3.841 41.791 -11.174 126 HA VAL 15 HA VAL 15 -1.222 41.473 -9.974 127 HB VAL 15 HB VAL 15 -2.096 43.393 -12.149 128 HG11 VAL 15 HG11 VAL 15 0.287 43.451 -12.735 129 HG12 VAL 15 HG12 VAL 15 0.650 42.405 -11.361 130 HG13 VAL 15 HG13 VAL 15 0.008 44.026 -11.091 131 HG21 VAL 15 HG21 VAL 15 -2.566 41.090 -12.813 132 HG22 VAL 15 HG22 VAL 15 -0.916 40.620 -12.405 133 HG23 VAL 15 HG23 VAL 15 -1.211 41.737 -13.738 134 H ARG 16 HN ARG 16 -3.891 43.729 -9.885 135 HA ARG 16 HA ARG 16 -2.436 45.888 -8.705 136 HB2 ARG 16 HB2 ARG 16 -5.416 45.332 -8.693 137 HB3 ARG 16 HB1 ARG 16 -4.664 46.833 -8.167 138 HG2 ARG 16 HG2 ARG 16 -3.742 47.100 -10.473 139 HG3 ARG 16 HG1 ARG 16 -4.693 45.694 -10.957 140 HD2 ARG 16 HD2 ARG 16 -5.773 48.282 -9.834 141 HD3 ARG 16 HD1 ARG 16 -5.852 47.765 -11.517 142 HE ARG 16 HE ARG 16 -7.113 45.752 -10.265 143 HH11 ARG 16 HH11 ARG 16 -7.475 49.226 -9.965 144 HH12 ARG 16 HH12 ARG 16 -9.174 49.144 -9.624 145 HH21 ARG 16 HH21 ARG 16 -9.341 45.648 -9.796 146 HH22 ARG 16 HH22 ARG 16 -10.232 47.111 -9.516 147 H LYS 17 HN LYS 17 -1.260 44.824 -7.050 148 HA LYS 17 HA LYS 17 -2.731 43.666 -4.834 149 HB2 LYS 17 HB2 LYS 17 -0.541 42.740 -5.628 150 HB3 LYS 17 HB1 LYS 17 0.242 44.198 -5.031 151 HG2 LYS 17 HG2 LYS 17 -0.391 43.677 -2.763 152 HG3 LYS 17 HG1 LYS 17 -1.353 42.301 -3.305 153 HD2 LYS 17 HD2 LYS 17 1.639 42.571 -3.646 154 HD3 LYS 17 HD1 LYS 17 0.844 41.642 -2.373 155 HE2 LYS 17 HE2 LYS 17 -0.176 40.187 -4.037 156 HE3 LYS 17 HE1 LYS 17 0.531 41.146 -5.338 157 HZ1 LYS 17 HZ1 LYS 17 1.800 39.138 -4.903 158 HZ2 LYS 17 HZ2 LYS 17 2.059 39.625 -3.303 159 HZ3 LYS 17 HZ3 LYS 17 2.719 40.519 -4.573 160 H HIS 18 HN HIS 18 -3.811 45.863 -4.862 161 HA HIS 18 HA HIS 18 -3.269 46.998 -2.344 162 HB2 HIS 18 HB2 HIS 18 -2.850 49.327 -2.963 163 HB3 HIS 18 HB1 HIS 18 -1.574 48.306 -3.607 164 HD1 HIS 18 HD1 HIS 18 -3.860 50.926 -4.554 165 HD2 HIS 18 HD2 HIS 18 -1.997 47.760 -6.503 166 HE1 HIS 18 HE1 HIS 18 -3.974 51.479 -7.002 167 HE2 HIS 18 HE2 HIS 18 -2.680 49.643 -8.139 168 H ARG 19 HN ARG 19 -5.327 46.454 -1.912 169 HA ARG 19 HA ARG 19 -7.385 46.913 -3.915 170 HB2 ARG 19 HB2 ARG 19 -7.549 45.462 -1.264 171 HB3 ARG 19 HB1 ARG 19 -8.756 45.433 -2.543 172 HG2 ARG 19 HG2 ARG 19 -5.942 44.365 -2.789 173 HG3 ARG 19 HG1 ARG 19 -7.380 43.392 -2.481 174 HD2 ARG 19 HD2 ARG 19 -8.316 44.050 -4.628 175 HD3 ARG 19 HD1 ARG 19 -6.938 45.111 -4.928 176 HE ARG 19 HE ARG 19 -5.697 43.289 -5.547 177 HH11 ARG 19 HH11 ARG 19 -8.607 42.182 -3.935 178 HH12 ARG 19 HH12 ARG 19 -8.310 40.506 -4.285 179 HH21 ARG 19 HH21 ARG 19 -5.323 41.059 -6.008 180 HH22 ARG 19 HH22 ARG 19 -6.457 39.873 -5.441 181 H PHE 20 HN PHE 20 -9.496 47.692 -3.258 182 HA PHE 20 HA PHE 20 -9.374 49.808 -1.217 183 HB2 PHE 20 HB2 PHE 20 -11.282 49.470 -3.557 184 HB3 PHE 20 HB1 PHE 20 -11.300 50.806 -2.409 185 HD1 PHE 20 HD1 PHE 20 -9.453 52.451 -2.398 186 HD2 PHE 20 HD2 PHE 20 -9.723 49.405 -5.363 187 HE1 PHE 20 HE1 PHE 20 -7.864 53.685 -3.809 188 HE2 PHE 20 HE2 PHE 20 -8.132 50.639 -6.778 189 HZ PHE 20 HZ PHE 20 -7.200 52.781 -6.000 190 H CYS 21 HN CYS 21 -11.030 49.936 0.316 191 HA CYS 21 HA CYS 21 -12.150 47.420 1.104 192 HB2 CYS 21 HB2 CYS 21 -11.411 49.070 2.738 193 HB3 CYS 21 HB1 CYS 21 -12.584 50.228 2.134 194 HA PRO 22 HA PRO 22 -15.445 47.112 -1.709 195 HB2 PRO 22 HB2 PRO 22 -17.167 46.562 0.672 196 HB3 PRO 22 HB1 PRO 22 -17.029 45.672 -0.847 197 HG2 PRO 22 HG2 PRO 22 -15.831 44.895 1.463 198 HG3 PRO 22 HG1 PRO 22 -15.197 44.499 -0.142 199 HD2 PRO 22 HD2 PRO 22 -14.098 46.290 1.886 200 HD3 PRO 22 HD1 PRO 22 -13.334 45.684 0.407 201 H ARG 23 HN ARG 23 -16.799 48.487 1.310 202 HA ARG 23 HA ARG 23 -18.563 50.100 -0.323 203 HB2 ARG 23 HB2 ARG 23 -18.516 49.692 2.670 204 HB3 ARG 23 HB1 ARG 23 -19.755 50.572 1.778 205 HG2 ARG 23 HG2 ARG 23 -20.170 48.442 0.478 206 HG3 ARG 23 HG1 ARG 23 -19.130 47.625 1.646 207 HD2 ARG 23 HD2 ARG 23 -21.656 49.148 2.295 208 HD3 ARG 23 HD1 ARG 23 -21.516 47.395 2.195 209 HE ARG 23 HE ARG 23 -19.739 47.813 4.055 210 HH11 ARG 23 HH11 ARG 23 -22.748 49.537 3.646 211 HH12 ARG 23 HH12 ARG 23 -23.000 49.759 5.350 212 HH21 ARG 23 HH21 ARG 23 -20.058 48.110 6.297 213 HH22 ARG 23 HH22 ARG 23 -21.461 48.963 6.856 214 H CYS 24 HN CYS 24 -15.775 50.605 1.748 215 HA CYS 24 HA CYS 24 -16.174 53.497 1.793 216 HB2 CYS 24 HB2 CYS 24 -13.646 52.080 2.633 217 HB3 CYS 24 HB1 CYS 24 -14.221 53.662 3.132 218 H GLY 25 HN GLY 25 -15.097 51.324 -0.435 219 HA2 GLY 25 HA2 GLY 25 -12.548 51.801 -1.173 220 HA3 GLY 25 HA1 GLY 25 -13.806 51.431 -2.331 221 HA PRO 26 HA PRO 26 -13.578 55.453 -4.188 222 HB2 PRO 26 HB2 PRO 26 -16.310 56.204 -3.274 223 HB3 PRO 26 HB1 PRO 26 -15.649 56.138 -4.911 224 HG2 PRO 26 HG2 PRO 26 -17.357 54.275 -4.048 225 HG3 PRO 26 HG1 PRO 26 -15.994 53.849 -5.102 226 HD2 PRO 26 HD2 PRO 26 -16.292 53.482 -2.141 227 HD3 PRO 26 HD1 PRO 26 -15.571 52.391 -3.345 228 H GLY 27 HN GLY 27 -12.016 56.169 -2.655 229 HA2 GLY 27 HA2 GLY 27 -11.579 58.402 -1.746 230 HA3 GLY 27 HA1 GLY 27 -13.072 58.250 -0.835 231 H VAL 28 HN VAL 28 -12.348 55.349 -0.271 232 HA VAL 28 HA VAL 28 -10.186 55.788 1.693 233 HB VAL 28 HB VAL 28 -12.721 54.270 2.354 234 HG11 VAL 28 HG11 VAL 28 -10.427 55.201 4.090 235 HG12 VAL 28 HG12 VAL 28 -10.787 53.539 3.620 236 HG13 VAL 28 HG13 VAL 28 -11.895 54.415 4.677 237 HG21 VAL 28 HG21 VAL 28 -11.994 57.095 3.158 238 HG22 VAL 28 HG22 VAL 28 -13.363 56.172 3.779 239 HG23 VAL 28 HG23 VAL 28 -13.302 56.619 2.074 240 H PHE 29 HN PHE 29 -8.663 54.487 0.861 241 HA PHE 29 HA PHE 29 -9.198 52.071 -0.543 242 HB2 PHE 29 HB2 PHE 29 -6.754 51.800 -0.582 243 HB3 PHE 29 HB1 PHE 29 -7.217 53.439 -1.023 244 HD1 PHE 29 HD1 PHE 29 -6.983 55.274 0.706 245 HD2 PHE 29 HD2 PHE 29 -5.299 51.393 1.233 246 HE1 PHE 29 HE1 PHE 29 -5.467 56.164 2.426 247 HE2 PHE 29 HE2 PHE 29 -3.787 52.282 2.956 248 HZ PHE 29 HZ PHE 29 -3.872 54.669 3.556 249 H LEU 30 HN LEU 30 -7.626 50.120 0.222 250 HA LEU 30 HA LEU 30 -8.363 49.500 3.014 251 HB2 LEU 30 HB2 LEU 30 -9.429 48.078 1.249 252 HB3 LEU 30 HB1 LEU 30 -7.830 47.571 0.741 253 HG LEU 30 HG LEU 30 -7.465 46.528 2.955 254 HD11 LEU 30 HD11 LEU 30 -10.331 47.316 3.485 255 HD12 LEU 30 HD12 LEU 30 -8.905 47.959 4.299 256 HD13 LEU 30 HD13 LEU 30 -9.345 46.264 4.501 257 HD21 LEU 30 HD21 LEU 30 -9.990 45.630 1.551 258 HD22 LEU 30 HD22 LEU 30 -9.016 44.652 2.650 259 HD23 LEU 30 HD23 LEU 30 -8.340 45.183 1.112 260 H ALA 31 HN ALA 31 -6.620 49.889 4.234 261 HA ALA 31 HA ALA 31 -4.003 50.153 3.272 262 HB1 ALA 31 HB1 ALA 31 -4.803 51.239 5.311 263 HB2 ALA 31 HB2 ALA 31 -3.339 50.302 5.616 264 HB3 ALA 31 HB3 ALA 31 -4.912 49.670 6.111 265 H GLU 32 HN GLU 32 -3.003 48.500 2.319 266 HA GLU 32 HA GLU 32 -3.240 45.787 3.258 267 HB2 GLU 32 HB2 GLU 32 -3.028 46.228 0.866 268 HB3 GLU 32 HB1 GLU 32 -1.479 47.025 1.121 269 HG2 GLU 32 HG2 GLU 32 -0.494 44.936 1.859 270 HG3 GLU 32 HG1 GLU 32 -2.048 44.123 1.706 271 H HIS 33 HN HIS 33 -1.900 44.729 4.588 272 HA HIS 33 HA HIS 33 0.787 45.807 5.101 273 HB2 HIS 33 HB2 HIS 33 -1.088 44.769 7.252 274 HB3 HIS 33 HB1 HIS 33 0.568 45.311 7.496 275 HD1 HIS 33 HD1 HIS 33 0.988 47.935 7.088 276 HD2 HIS 33 HD2 HIS 33 -2.984 46.740 7.384 277 HE1 HIS 33 HE1 HIS 33 -0.318 50.036 7.534 278 HE2 HIS 33 HE2 HIS 33 -2.690 49.265 7.871 279 H ALA 34 HN ALA 34 2.247 44.136 5.970 280 HA ALA 34 HA ALA 34 2.297 41.906 4.330 281 HB1 ALA 34 HB1 ALA 34 4.135 41.106 5.724 282 HB2 ALA 34 HB2 ALA 34 3.691 42.259 6.983 283 HB3 ALA 34 HB3 ALA 34 4.275 42.838 5.424 284 H ASP 35 HN ASP 35 1.023 42.238 7.591 285 HA ASP 35 HA ASP 35 0.534 39.407 7.914 286 HB2 ASP 35 HB2 ASP 35 -0.349 41.779 9.586 287 HB3 ASP 35 HB1 ASP 35 -0.589 40.095 10.031 288 H ARG 36 HN ARG 36 -1.310 42.249 6.949 289 HA ARG 36 HA ARG 36 -3.566 40.829 6.055 290 HB2 ARG 36 HB2 ARG 36 -5.168 41.436 7.869 291 HB3 ARG 36 HB1 ARG 36 -3.953 40.275 8.380 292 HG2 ARG 36 HG2 ARG 36 -2.675 42.150 9.403 293 HG3 ARG 36 HG1 ARG 36 -4.008 43.230 8.992 294 HD2 ARG 36 HD2 ARG 36 -4.149 42.492 11.320 295 HD3 ARG 36 HD1 ARG 36 -5.522 41.905 10.382 296 HE ARG 36 HE ARG 36 -4.131 39.759 10.223 297 HH11 ARG 36 HH11 ARG 36 -4.046 41.921 12.970 298 HH12 ARG 36 HH12 ARG 36 -3.667 40.669 14.109 299 HH21 ARG 36 HH21 ARG 36 -3.655 38.094 11.727 300 HH22 ARG 36 HH22 ARG 36 -3.445 38.495 13.403 301 H TYR 37 HN TYR 37 -5.523 42.327 5.858 302 HA TYR 37 HA TYR 37 -4.654 45.015 5.060 303 HB2 TYR 37 HB2 TYR 37 -7.329 43.672 4.562 304 HB3 TYR 37 HB1 TYR 37 -6.705 45.117 3.780 305 HD1 TYR 37 HD2 TYR 37 -5.044 44.947 1.987 306 HD2 TYR 37 HD1 TYR 37 -6.578 41.459 3.895 307 HE1 TYR 37 HE2 TYR 37 -4.162 43.559 0.158 308 HE2 TYR 37 HE1 TYR 37 -5.698 40.069 2.071 309 HH TYR 37 HH TYR 37 -5.066 40.355 -0.330 310 H SER 38 HN SER 38 -5.850 46.874 5.800 311 HA SER 38 HA SER 38 -7.717 46.437 8.012 312 HB2 SER 38 HB2 SER 38 -5.412 46.685 8.974 313 HB3 SER 38 HB1 SER 38 -5.330 48.293 8.255 314 HG SER 38 HG SER 38 -7.081 47.359 10.280 315 H CYS 39 HN CYS 39 -9.023 48.281 8.502 316 HA CYS 39 HA CYS 39 -8.902 50.564 6.673 317 HB2 CYS 39 HB2 CYS 39 -10.388 49.024 5.531 318 HB3 CYS 39 HB1 CYS 39 -11.313 48.765 6.993 319 H GLY 40 HN GLY 40 -8.978 52.327 7.999 320 HA2 GLY 40 HA2 GLY 40 -10.548 52.468 10.376 321 HA3 GLY 40 HA1 GLY 40 -9.998 53.842 9.414 322 H ARG 41 HN ARG 41 -12.360 54.444 10.135 323 HA ARG 41 HA ARG 41 -14.312 55.203 9.250 324 HB2 ARG 41 HB2 ARG 41 -13.097 55.090 7.022 325 HB3 ARG 41 HB1 ARG 41 -13.796 53.492 6.806 326 HG2 ARG 41 HG2 ARG 41 -15.153 55.012 5.594 327 HG3 ARG 41 HG1 ARG 41 -16.066 54.558 7.035 328 HD2 ARG 41 HD2 ARG 41 -15.370 56.640 8.127 329 HD3 ARG 41 HD1 ARG 41 -14.453 57.090 6.690 330 HE ARG 41 HE ARG 41 -17.392 56.747 6.684 331 HH11 ARG 41 HH11 ARG 41 -14.505 58.488 5.731 332 HH12 ARG 41 HH12 ARG 41 -15.372 59.706 4.853 333 HH21 ARG 41 HH21 ARG 41 -18.538 58.353 5.515 334 HH22 ARG 41 HH22 ARG 41 -17.660 59.627 4.727 335 H CYS 42 HN CYS 42 -13.821 51.713 8.431 336 HA CYS 42 HA CYS 42 -16.345 51.236 9.876 337 HB2 CYS 42 HB2 CYS 42 -17.045 49.572 8.331 338 HB3 CYS 42 HB1 CYS 42 -16.560 50.961 7.367 339 H GLY 43 HN GLY 43 -13.035 50.452 9.588 340 HA2 GLY 43 HA2 GLY 43 -11.796 49.238 11.143 341 HA3 GLY 43 HA1 GLY 43 -13.292 48.616 11.824 342 H TYR 44 HN TYR 44 -13.073 48.328 8.440 343 HA TYR 44 HA TYR 44 -13.256 45.523 8.483 344 HB2 TYR 44 HB2 TYR 44 -14.084 46.933 6.603 345 HB3 TYR 44 HB1 TYR 44 -12.422 47.289 6.154 346 HD1 TYR 44 HD2 TYR 44 -11.000 45.523 5.144 347 HD2 TYR 44 HD1 TYR 44 -15.095 44.799 6.069 348 HE1 TYR 44 HE2 TYR 44 -10.969 43.525 3.711 349 HE2 TYR 44 HE1 TYR 44 -15.068 42.802 4.639 350 HH TYR 44 HH TYR 44 -12.376 41.270 3.668 351 H THR 45 HN THR 45 -11.685 44.268 9.215 352 HA THR 45 HA THR 45 -8.938 44.709 8.230 353 HB THR 45 HB THR 45 -9.728 43.462 10.883 354 HG1 THR 45 HG1 THR 45 -10.122 45.734 10.833 355 HG21 THR 45 HG21 THR 45 -7.596 42.629 10.004 356 HG22 THR 45 HG22 THR 45 -7.334 43.660 11.412 357 HG23 THR 45 HG23 THR 45 -7.028 44.286 9.791 358 H GLU 46 HN GLU 46 -8.662 43.249 6.666 359 HA GLU 46 HA GLU 46 -9.755 40.524 6.989 360 HB2 GLU 46 HB2 GLU 46 -10.474 41.899 4.989 361 HB3 GLU 46 HB1 GLU 46 -8.806 41.856 4.438 362 HG2 GLU 46 HG2 GLU 46 -10.129 40.198 3.284 363 HG3 GLU 46 HG1 GLU 46 -8.915 39.416 4.295 364 H PHE 47 HN PHE 47 -8.272 38.788 5.969 365 HA PHE 47 HA PHE 47 -5.596 39.337 7.051 366 HB2 PHE 47 HB2 PHE 47 -7.021 36.709 6.606 367 HB3 PHE 47 HB1 PHE 47 -5.411 36.886 7.305 368 HD1 PHE 47 HD2 PHE 47 -5.242 38.488 9.346 369 HD2 PHE 47 HD1 PHE 47 -8.856 36.659 8.035 370 HE1 PHE 47 HE2 PHE 47 -6.231 38.845 11.574 371 HE2 PHE 47 HE1 PHE 47 -9.853 37.018 10.255 372 HZ PHE 47 HZ PHE 47 -8.539 38.112 12.028 373 H LYS 48 HN LYS 48 -3.716 38.544 6.054 374 HA LYS 48 HA LYS 48 -3.777 38.889 3.186 375 HB2 LYS 48 HB2 LYS 48 -1.765 39.002 5.299 376 HB3 LYS 48 HB1 LYS 48 -1.169 38.167 3.874 377 HG2 LYS 48 HG2 LYS 48 -2.342 40.947 3.928 378 HG3 LYS 48 HG1 LYS 48 -0.627 40.542 3.811 379 HD2 LYS 48 HD2 LYS 48 -1.091 39.354 1.682 380 HD3 LYS 48 HD1 LYS 48 -2.778 39.863 1.794 381 HE2 LYS 48 HE2 LYS 48 -1.995 42.231 1.797 382 HE3 LYS 48 HE1 LYS 48 -0.357 41.643 1.514 383 HZ1 LYS 48 HZ1 LYS 48 -2.685 41.202 -0.275 384 HZ2 LYS 48 HZ2 LYS 48 -1.115 40.645 -0.553 385 HZ3 LYS 48 HZ3 LYS 48 -1.433 42.307 -0.542 386 H LYS 49 HN LYS 49 -2.888 37.475 1.656 387 HA LYS 49 HA LYS 49 -2.398 34.694 2.434 388 HB2 LYS 49 HB2 LYS 49 -4.212 35.578 0.166 389 HB3 LYS 49 HB1 LYS 49 -3.637 33.931 0.391 390 HG2 LYS 49 HG2 LYS 49 -5.381 35.468 2.316 391 HG3 LYS 49 HG1 LYS 49 -5.914 34.198 1.212 392 HD2 LYS 49 HD2 LYS 49 -4.565 32.557 2.369 393 HD3 LYS 49 HD1 LYS 49 -3.861 33.806 3.400 394 HE2 LYS 49 HE2 LYS 49 -6.146 34.269 4.283 395 HE3 LYS 49 HE1 LYS 49 -6.740 32.897 3.347 396 HZ1 LYS 49 HZ1 LYS 49 -4.624 32.724 5.418 397 HZ2 LYS 49 HZ2 LYS 49 -5.343 31.431 4.598 398 HZ3 LYS 49 HZ3 LYS 49 -6.251 32.358 5.680 399 H ALA 50 HN ALA 50 -0.574 33.949 1.532 400 HA ALA 50 HA ALA 50 0.977 35.750 -0.120 401 HB1 ALA 50 HB1 ALA 50 1.690 33.041 1.017 402 HB2 ALA 50 HB2 ALA 50 2.005 34.597 1.785 403 HB3 ALA 50 HB3 ALA 50 2.811 34.182 0.273 404 H LYS 51 HN LYS 51 -1.207 34.877 -1.557 405 HA LYS 51 HA LYS 51 -0.589 32.636 -3.217 406 HB2 LYS 51 HB2 LYS 51 -2.893 33.170 -2.979 407 HB3 LYS 51 HB1 LYS 51 -2.625 34.855 -3.397 408 HG2 LYS 51 HG2 LYS 51 -3.743 33.640 -5.198 409 HG3 LYS 51 HG1 LYS 51 -2.172 34.250 -5.705 410 HD2 LYS 51 HD2 LYS 51 -2.496 32.006 -6.555 411 HD3 LYS 51 HD1 LYS 51 -1.211 32.001 -5.348 412 HE2 LYS 51 HE2 LYS 51 -2.744 31.107 -3.684 413 HE3 LYS 51 HE1 LYS 51 -4.079 31.199 -4.834 414 HZ1 LYS 51 HZ1 LYS 51 -3.141 28.955 -4.639 415 HZ2 LYS 51 HZ2 LYS 51 -1.650 29.528 -5.194 416 HZ3 LYS 51 HZ3 LYS 51 -3.001 29.568 -6.210 417 H LYS 52 HN LYS 52 0.917 32.588 -4.710 418 HA LYS 52 HA LYS 52 1.878 35.039 -5.972 419 HB2 LYS 52 HB2 LYS 52 2.840 32.169 -6.130 420 HB3 LYS 52 HB1 LYS 52 3.578 33.507 -7.004 421 HG2 LYS 52 HG2 LYS 52 4.200 34.580 -4.932 422 HG3 LYS 52 HG1 LYS 52 3.351 33.347 -4.001 423 HD2 LYS 52 HD2 LYS 52 5.803 32.999 -4.057 424 HD3 LYS 52 HD1 LYS 52 4.902 31.648 -4.748 425 HE2 LYS 52 HE2 LYS 52 6.905 32.251 -6.071 426 HE3 LYS 52 HE1 LYS 52 5.411 32.399 -6.990 427 HZ1 LYS 52 HZ1 LYS 52 6.766 34.686 -5.671 428 HZ2 LYS 52 HZ2 LYS 52 5.473 34.753 -6.754 429 HZ3 LYS 52 HZ3 LYS 52 6.997 34.260 -7.290 430 H SER 53 HN SER 53 0.527 35.710 -7.541 431 HA SER 53 HA SER 53 -1.034 33.989 -9.166 432 HB2 SER 53 HB2 SER 53 -1.433 36.105 -10.502 433 HB3 SER 53 HB1 SER 53 -1.804 36.238 -8.783 434 HG SER 53 HG SER 53 0.577 37.112 -10.069 435 H LYS 54 HN LYS 54 0.051 32.539 -10.380 436 HA LYS 54 HA LYS 54 1.890 33.560 -12.428 437 HB2 LYS 54 HB2 LYS 54 3.366 31.568 -12.077 438 HB3 LYS 54 HB1 LYS 54 3.373 32.695 -10.727 439 HG2 LYS 54 HG2 LYS 54 1.854 31.251 -9.485 440 HG3 LYS 54 HG1 LYS 54 1.790 30.130 -10.843 441 HD2 LYS 54 HD2 LYS 54 4.407 30.842 -9.539 442 HD3 LYS 54 HD1 LYS 54 3.361 29.598 -8.857 443 HE2 LYS 54 HE2 LYS 54 4.964 28.505 -10.240 444 HE3 LYS 54 HE1 LYS 54 3.419 28.442 -11.081 445 HZ1 LYS 54 HZ1 LYS 54 5.630 30.342 -11.654 446 HZ2 LYS 54 HZ2 LYS 54 4.148 30.293 -12.464 447 HZ3 LYS 54 HZ3 LYS 54 5.216 28.991 -12.582 448 H SER 55 HN SER 55 2.256 31.940 -14.156 449 HA SER 55 HA SER 55 0.026 30.047 -14.483 450 HB2 SER 55 HB2 SER 55 -0.401 32.177 -15.763 451 HB3 SER 55 HB1 SER 55 1.072 31.871 -16.682 452 HG SER 55 HG SER 55 -0.170 29.667 -16.950 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -33.435 39.027 -25.748 2 H2 MET 1 HT2 MET 1 -31.931 39.506 -25.151 3 H3 MET 1 HT3 MET 1 -32.274 37.863 -25.351 4 HA MET 1 HA MET 1 -32.411 38.126 -27.724 5 HB2 MET 1 HB2 MET 1 -31.677 41.002 -27.109 6 HB3 MET 1 HB1 MET 1 -31.639 40.297 -28.718 7 HG2 MET 1 HG2 MET 1 -34.043 39.897 -28.610 8 HG3 MET 1 HG1 MET 1 -34.089 40.576 -26.983 9 HE1 MET 1 HE1 MET 1 -36.007 42.231 -27.695 10 HE2 MET 1 HE2 MET 1 -35.992 41.596 -29.341 11 HE3 MET 1 HE3 MET 1 -35.902 43.334 -29.066 12 H GLN 2 HN GLN 2 -29.963 40.252 -26.208 13 HA GLN 2 HA GLN 2 -27.851 38.787 -27.549 14 HB2 GLN 2 HB2 GLN 2 -27.827 41.202 -25.732 15 HB3 GLN 2 HB1 GLN 2 -26.365 40.474 -26.381 16 HG2 GLN 2 HG2 GLN 2 -27.152 40.928 -28.657 17 HG3 GLN 2 HG1 GLN 2 -28.609 41.676 -27.999 18 HE21 GLN 2 HE21 GLN 2 -28.459 43.698 -27.019 19 HE22 GLN 2 HE22 GLN 2 -27.063 44.709 -27.181 20 H LYS 3 HN LYS 3 -26.629 37.252 -26.698 21 HA LYS 3 HA LYS 3 -26.766 36.693 -23.820 22 HB2 LYS 3 HB2 LYS 3 -25.762 35.076 -26.174 23 HB3 LYS 3 HB1 LYS 3 -25.400 34.626 -24.517 24 HG2 LYS 3 HG2 LYS 3 -27.245 33.322 -25.266 25 HG3 LYS 3 HG1 LYS 3 -27.837 34.478 -24.074 26 HD2 LYS 3 HD2 LYS 3 -28.737 35.888 -25.829 27 HD3 LYS 3 HD1 LYS 3 -28.035 34.847 -27.069 28 HE2 LYS 3 HE2 LYS 3 -30.145 34.020 -25.070 29 HE3 LYS 3 HE1 LYS 3 -30.441 34.430 -26.761 30 HZ1 LYS 3 HZ1 LYS 3 -30.319 32.046 -26.461 31 HZ2 LYS 3 HZ2 LYS 3 -28.777 32.170 -25.783 32 HZ3 LYS 3 HZ3 LYS 3 -29.017 32.569 -27.406 33 H ARG 4 HN ARG 4 -25.354 37.963 -22.738 34 HA ARG 4 HA ARG 4 -22.853 38.797 -23.867 35 HB2 ARG 4 HB2 ARG 4 -24.070 40.187 -22.228 36 HB3 ARG 4 HB1 ARG 4 -23.829 38.950 -21.003 37 HG2 ARG 4 HG2 ARG 4 -21.382 39.277 -21.201 38 HG3 ARG 4 HG1 ARG 4 -21.677 40.579 -22.356 39 HD2 ARG 4 HD2 ARG 4 -22.558 40.485 -19.471 40 HD3 ARG 4 HD1 ARG 4 -21.282 41.497 -20.148 41 HE ARG 4 HE ARG 4 -24.017 41.801 -21.159 42 HH11 ARG 4 HH11 ARG 4 -21.333 43.096 -19.323 43 HH12 ARG 4 HH12 ARG 4 -21.992 44.700 -19.259 44 HH21 ARG 4 HH21 ARG 4 -24.894 43.902 -21.058 45 HH22 ARG 4 HH22 ARG 4 -24.022 45.156 -20.232 46 H GLU 5 HN GLU 5 -21.825 36.857 -24.409 47 HA GLU 5 HA GLU 5 -21.209 34.897 -22.392 48 HB2 GLU 5 HB2 GLU 5 -20.089 35.254 -25.187 49 HB3 GLU 5 HB1 GLU 5 -19.826 33.852 -24.155 50 HG2 GLU 5 HG2 GLU 5 -22.239 33.400 -24.167 51 HG3 GLU 5 HG1 GLU 5 -22.485 34.783 -25.233 52 H LEU 6 HN LEU 6 -18.983 36.746 -24.471 53 HA LEU 6 HA LEU 6 -17.057 37.862 -24.068 54 HB2 LEU 6 HB2 LEU 6 -18.688 39.092 -22.533 55 HB3 LEU 6 HB1 LEU 6 -18.023 38.148 -21.217 56 HG LEU 6 HG LEU 6 -15.801 39.152 -21.620 57 HD11 LEU 6 HD11 LEU 6 -15.582 41.064 -23.138 58 HD12 LEU 6 HD12 LEU 6 -17.233 40.806 -23.702 59 HD13 LEU 6 HD13 LEU 6 -15.996 39.586 -24.005 60 HD21 LEU 6 HD21 LEU 6 -18.022 41.167 -21.252 61 HD22 LEU 6 HD22 LEU 6 -16.332 41.402 -20.803 62 HD23 LEU 6 HD23 LEU 6 -17.300 40.172 -19.989 63 H TYR 7 HN TYR 7 -15.088 37.908 -22.351 64 HA TYR 7 HA TYR 7 -14.534 35.093 -21.683 65 HB2 TYR 7 HB2 TYR 7 -12.536 37.346 -22.014 66 HB3 TYR 7 HB1 TYR 7 -12.187 35.624 -21.897 67 HD1 TYR 7 HD2 TYR 7 -12.711 34.118 -23.806 68 HD2 TYR 7 HD1 TYR 7 -13.229 38.337 -24.091 69 HE1 TYR 7 HE2 TYR 7 -12.838 33.936 -26.255 70 HE2 TYR 7 HE1 TYR 7 -13.361 38.160 -26.538 71 HH TYR 7 HH TYR 7 -13.722 35.179 -28.162 72 H GLU 8 HN GLU 8 -14.156 38.404 -20.533 73 HA GLU 8 HA GLU 8 -13.914 39.355 -18.504 74 HB2 GLU 8 HB2 GLU 8 -15.029 36.731 -17.481 75 HB3 GLU 8 HB1 GLU 8 -14.811 38.177 -16.503 76 HG2 GLU 8 HG2 GLU 8 -16.373 39.383 -17.984 77 HG3 GLU 8 HG1 GLU 8 -16.628 37.897 -18.897 78 H ILE 9 HN ILE 9 -12.804 38.915 -16.232 79 HA ILE 9 HA ILE 9 -10.272 37.543 -16.871 80 HB ILE 9 HB ILE 9 -9.143 39.134 -15.369 81 HG12 ILE 9 HG12 ILE 9 -11.833 40.536 -15.242 82 HG13 ILE 9 HG11 ILE 9 -11.071 39.671 -13.911 83 HG21 ILE 9 HG21 ILE 9 -10.746 40.461 -17.561 84 HG22 ILE 9 HG22 ILE 9 -9.226 39.589 -17.766 85 HG23 ILE 9 HG23 ILE 9 -9.263 41.093 -16.844 86 HD11 ILE 9 HD11 ILE 9 -10.003 42.149 -15.249 87 HD12 ILE 9 HD12 ILE 9 -9.227 41.278 -13.927 88 HD13 ILE 9 HD13 ILE 9 -10.784 42.066 -13.670 89 H ALA 10 HN ALA 10 -9.317 36.259 -15.401 90 HA ALA 10 HA ALA 10 -10.572 35.899 -12.760 91 HB1 ALA 10 HB1 ALA 10 -11.270 34.044 -14.213 92 HB2 ALA 10 HB2 ALA 10 -10.197 33.479 -12.931 93 HB3 ALA 10 HB3 ALA 10 -9.583 33.684 -14.574 94 H ASP 11 HN ASP 11 -7.746 35.440 -14.824 95 HA ASP 11 HA ASP 11 -5.989 35.651 -12.462 96 HB2 ASP 11 HB2 ASP 11 -5.642 33.590 -13.734 97 HB3 ASP 11 HB1 ASP 11 -5.429 34.510 -15.219 98 H GLY 12 HN GLY 12 -4.159 37.052 -12.598 99 HA2 GLY 12 HA2 GLY 12 -3.603 38.672 -14.851 100 HA3 GLY 12 HA1 GLY 12 -4.589 39.562 -13.699 101 H LYS 13 HN LYS 13 -1.473 38.850 -14.602 102 HA LYS 13 HA LYS 13 -0.304 39.147 -11.965 103 HB2 LYS 13 HB2 LYS 13 0.854 38.846 -14.731 104 HB3 LYS 13 HB1 LYS 13 1.865 39.353 -13.386 105 HG2 LYS 13 HG2 LYS 13 2.123 37.002 -13.670 106 HG3 LYS 13 HG1 LYS 13 1.218 37.275 -12.182 107 HD2 LYS 13 HD2 LYS 13 -0.874 36.765 -13.381 108 HD3 LYS 13 HD1 LYS 13 0.052 36.471 -14.856 109 HE2 LYS 13 HE2 LYS 13 1.286 34.674 -13.662 110 HE3 LYS 13 HE1 LYS 13 0.238 34.927 -12.266 111 HZ1 LYS 13 HZ1 LYS 13 -1.664 34.365 -13.672 112 HZ2 LYS 13 HZ2 LYS 13 -0.548 33.096 -13.594 113 HZ3 LYS 13 HZ3 LYS 13 -0.625 34.068 -14.970 114 H LEU 14 HN LEU 14 -1.464 41.169 -11.570 115 HA LEU 14 HA LEU 14 -0.269 43.512 -12.861 116 HB2 LEU 14 HB2 LEU 14 -2.598 43.208 -10.962 117 HB3 LEU 14 HB1 LEU 14 -1.944 44.767 -11.418 118 HG LEU 14 HG LEU 14 -3.894 44.388 -12.733 119 HD11 LEU 14 HD11 LEU 14 -2.049 45.449 -13.901 120 HD12 LEU 14 HD12 LEU 14 -3.024 44.481 -15.004 121 HD13 LEU 14 HD13 LEU 14 -1.464 43.876 -14.445 122 HD21 LEU 14 HD21 LEU 14 -4.205 42.452 -14.184 123 HD22 LEU 14 HD22 LEU 14 -4.058 41.962 -12.498 124 HD23 LEU 14 HD23 LEU 14 -2.696 41.752 -13.598 125 H VAL 15 HN VAL 15 1.403 44.483 -11.963 126 HA VAL 15 HA VAL 15 2.579 43.641 -9.540 127 HB VAL 15 HB VAL 15 3.067 46.237 -11.039 128 HG11 VAL 15 HG11 VAL 15 5.282 46.183 -9.972 129 HG12 VAL 15 HG12 VAL 15 4.808 44.745 -9.068 130 HG13 VAL 15 HG13 VAL 15 3.985 46.277 -8.780 131 HG21 VAL 15 HG21 VAL 15 3.352 44.312 -12.515 132 HG22 VAL 15 HG22 VAL 15 4.431 43.553 -11.343 133 HG23 VAL 15 HG23 VAL 15 4.911 45.049 -12.148 134 H ARG 16 HN ARG 16 2.317 44.316 -7.492 135 HA ARG 16 HA ARG 16 1.569 45.419 -5.656 136 HB2 ARG 16 HB2 ARG 16 1.051 47.738 -7.539 137 HB3 ARG 16 HB1 ARG 16 1.097 47.825 -5.784 138 HG2 ARG 16 HG2 ARG 16 3.428 47.409 -5.723 139 HG3 ARG 16 HG1 ARG 16 3.458 46.928 -7.422 140 HD2 ARG 16 HD2 ARG 16 2.764 49.269 -8.005 141 HD3 ARG 16 HD1 ARG 16 2.981 49.692 -6.306 142 HE ARG 16 HE ARG 16 5.338 49.134 -6.557 143 HH11 ARG 16 HH11 ARG 16 3.504 49.558 -9.517 144 HH12 ARG 16 HH12 ARG 16 4.901 49.953 -10.471 145 HH21 ARG 16 HH21 ARG 16 7.171 49.654 -7.809 146 HH22 ARG 16 HH22 ARG 16 6.985 49.999 -9.500 147 H LYS 17 HN LYS 17 -0.245 44.642 -4.799 148 HA LYS 17 HA LYS 17 -2.641 44.341 -6.326 149 HB2 LYS 17 HB2 LYS 17 -1.833 43.701 -3.516 150 HB3 LYS 17 HB1 LYS 17 -3.544 43.715 -3.921 151 HG2 LYS 17 HG2 LYS 17 -1.472 42.062 -5.368 152 HG3 LYS 17 HG1 LYS 17 -2.489 41.468 -4.052 153 HD2 LYS 17 HD2 LYS 17 -4.496 41.981 -5.381 154 HD3 LYS 17 HD1 LYS 17 -3.477 42.565 -6.697 155 HE2 LYS 17 HE2 LYS 17 -2.514 40.335 -6.954 156 HE3 LYS 17 HE1 LYS 17 -3.485 39.747 -5.604 157 HZ1 LYS 17 HZ1 LYS 17 -5.478 40.175 -6.858 158 HZ2 LYS 17 HZ2 LYS 17 -4.449 39.198 -7.776 159 HZ3 LYS 17 HZ3 LYS 17 -4.592 40.843 -8.132 160 H HIS 18 HN HIS 18 -2.143 46.063 -3.223 161 HA HIS 18 HA HIS 18 -3.259 47.792 -2.271 162 HB2 HIS 18 HB2 HIS 18 -3.216 48.724 -5.148 163 HB3 HIS 18 HB1 HIS 18 -3.866 49.718 -3.848 164 HD1 HIS 18 HD1 HIS 18 -2.235 51.217 -2.760 165 HD2 HIS 18 HD2 HIS 18 -0.377 47.996 -4.611 166 HE1 HIS 18 HE1 HIS 18 0.229 51.629 -2.510 167 HE2 HIS 18 HE2 HIS 18 1.322 49.575 -3.469 168 H ARG 19 HN ARG 19 -5.087 46.961 -1.427 169 HA ARG 19 HA ARG 19 -7.339 46.386 -3.210 170 HB2 ARG 19 HB2 ARG 19 -6.938 45.689 -0.290 171 HB3 ARG 19 HB1 ARG 19 -8.311 45.200 -1.272 172 HG2 ARG 19 HG2 ARG 19 -5.439 44.378 -1.718 173 HG3 ARG 19 HG1 ARG 19 -6.707 43.384 -1.002 174 HD2 ARG 19 HD2 ARG 19 -6.482 42.698 -3.270 175 HD3 ARG 19 HD1 ARG 19 -7.978 43.626 -3.165 176 HE ARG 19 HE ARG 19 -5.705 45.209 -3.930 177 HH11 ARG 19 HH11 ARG 19 -8.230 43.101 -5.131 178 HH12 ARG 19 HH12 ARG 19 -8.190 43.769 -6.732 179 HH21 ARG 19 HH21 ARG 19 -5.648 46.084 -6.034 180 HH22 ARG 19 HH22 ARG 19 -6.712 45.439 -7.251 181 H PHE 20 HN PHE 20 -9.350 47.268 -2.950 182 HA PHE 20 HA PHE 20 -9.524 49.644 -1.221 183 HB2 PHE 20 HB2 PHE 20 -11.121 48.874 -3.684 184 HB3 PHE 20 HB1 PHE 20 -11.450 50.291 -2.691 185 HD1 PHE 20 HD1 PHE 20 -9.912 52.189 -2.671 186 HD2 PHE 20 HD2 PHE 20 -9.237 48.821 -5.194 187 HE1 PHE 20 HE1 PHE 20 -8.287 53.496 -3.977 188 HE2 PHE 20 HE2 PHE 20 -7.613 50.124 -6.505 189 HZ PHE 20 HZ PHE 20 -7.137 52.466 -5.897 190 H CYS 21 HN CYS 21 -11.370 49.930 0.078 191 HA CYS 21 HA CYS 21 -12.410 47.421 1.102 192 HB2 CYS 21 HB2 CYS 21 -11.602 49.123 2.647 193 HB3 CYS 21 HB1 CYS 21 -12.754 50.285 2.011 194 HA PRO 22 HA PRO 22 -15.939 47.048 -1.466 195 HB2 PRO 22 HB2 PRO 22 -17.448 46.711 1.088 196 HB3 PRO 22 HB1 PRO 22 -17.457 45.709 -0.366 197 HG2 PRO 22 HG2 PRO 22 -16.070 45.112 1.922 198 HG3 PRO 22 HG1 PRO 22 -15.652 44.497 0.316 199 HD2 PRO 22 HD2 PRO 22 -14.189 46.361 1.985 200 HD3 PRO 22 HD1 PRO 22 -13.699 45.644 0.441 201 H ARG 23 HN ARG 23 -16.844 48.706 1.580 202 HA ARG 23 HA ARG 23 -18.772 50.274 0.095 203 HB2 ARG 23 HB2 ARG 23 -18.231 50.243 3.067 204 HB3 ARG 23 HB1 ARG 23 -19.598 51.010 2.272 205 HG2 ARG 23 HG2 ARG 23 -19.012 48.059 2.430 206 HG3 ARG 23 HG1 ARG 23 -20.310 48.933 3.243 207 HD2 ARG 23 HD2 ARG 23 -19.997 48.535 0.265 208 HD3 ARG 23 HD1 ARG 23 -21.162 47.724 1.308 209 HE ARG 23 HE ARG 23 -21.188 50.633 0.762 210 HH11 ARG 23 HH11 ARG 23 -22.867 47.610 1.368 211 HH12 ARG 23 HH12 ARG 23 -24.439 48.300 1.117 212 HH21 ARG 23 HH21 ARG 23 -23.263 51.519 0.419 213 HH22 ARG 23 HH22 ARG 23 -24.665 50.505 0.574 214 H CYS 24 HN CYS 24 -15.743 50.795 1.834 215 HA CYS 24 HA CYS 24 -16.013 53.699 1.665 216 HB2 CYS 24 HB2 CYS 24 -13.540 52.255 2.604 217 HB3 CYS 24 HB1 CYS 24 -14.102 53.863 3.032 218 H GLY 25 HN GLY 25 -15.147 51.403 -0.492 219 HA2 GLY 25 HA2 GLY 25 -12.598 51.636 -1.333 220 HA3 GLY 25 HA1 GLY 25 -13.928 51.411 -2.450 221 HA PRO 26 HA PRO 26 -13.399 55.423 -4.283 222 HB2 PRO 26 HB2 PRO 26 -16.002 56.399 -3.198 223 HB3 PRO 26 HB1 PRO 26 -15.432 56.333 -4.871 224 HG2 PRO 26 HG2 PRO 26 -17.252 54.596 -3.983 225 HG3 PRO 26 HG1 PRO 26 -15.978 54.090 -5.110 226 HD2 PRO 26 HD2 PRO 26 -16.183 53.644 -2.154 227 HD3 PRO 26 HD1 PRO 26 -15.602 52.544 -3.421 228 H GLY 27 HN GLY 27 -11.690 56.048 -2.879 229 HA2 GLY 27 HA2 GLY 27 -10.974 58.184 -2.010 230 HA3 GLY 27 HA1 GLY 27 -12.481 58.284 -1.115 231 H VAL 28 HN VAL 28 -12.117 55.354 -0.320 232 HA VAL 28 HA VAL 28 -9.958 55.757 1.662 233 HB VAL 28 HB VAL 28 -12.565 54.358 2.285 234 HG11 VAL 28 HG11 VAL 28 -10.306 55.272 4.077 235 HG12 VAL 28 HG12 VAL 28 -10.696 53.607 3.647 236 HG13 VAL 28 HG13 VAL 28 -11.816 54.549 4.633 237 HG21 VAL 28 HG21 VAL 28 -11.755 57.177 3.027 238 HG22 VAL 28 HG22 VAL 28 -13.190 56.333 3.610 239 HG23 VAL 28 HG23 VAL 28 -13.033 56.723 1.897 240 H PHE 29 HN PHE 29 -8.455 54.397 0.977 241 HA PHE 29 HA PHE 29 -8.978 51.959 -0.389 242 HB2 PHE 29 HB2 PHE 29 -6.551 51.624 -0.293 243 HB3 PHE 29 HB1 PHE 29 -6.929 53.275 -0.765 244 HD1 PHE 29 HD2 PHE 29 -6.733 55.109 0.956 245 HD2 PHE 29 HD1 PHE 29 -5.238 51.176 1.630 246 HE1 PHE 29 HE2 PHE 29 -5.314 55.962 2.774 247 HE2 PHE 29 HE1 PHE 29 -3.818 52.028 3.450 248 HZ PHE 29 HZ PHE 29 -3.855 54.421 4.025 249 H LEU 30 HN LEU 30 -7.608 49.972 0.462 250 HA LEU 30 HA LEU 30 -8.378 49.437 3.263 251 HB2 LEU 30 HB2 LEU 30 -9.498 48.043 1.508 252 HB3 LEU 30 HB1 LEU 30 -7.922 47.468 1.006 253 HG LEU 30 HG LEU 30 -7.609 46.434 3.237 254 HD11 LEU 30 HD11 LEU 30 -9.037 47.910 4.545 255 HD12 LEU 30 HD12 LEU 30 -9.522 46.228 4.750 256 HD13 LEU 30 HD13 LEU 30 -10.464 47.297 3.708 257 HD21 LEU 30 HD21 LEU 30 -9.200 44.598 2.912 258 HD22 LEU 30 HD22 LEU 30 -8.482 45.105 1.385 259 HD23 LEU 30 HD23 LEU 30 -10.127 45.596 1.790 260 H ALA 31 HN ALA 31 -6.651 49.617 4.539 261 HA ALA 31 HA ALA 31 -4.048 49.994 3.655 262 HB1 ALA 31 HB1 ALA 31 -4.931 49.094 6.398 263 HB2 ALA 31 HB2 ALA 31 -4.858 50.763 5.833 264 HB3 ALA 31 HB3 ALA 31 -3.375 49.820 5.994 265 H GLU 32 HN GLU 32 -3.195 48.447 2.351 266 HA GLU 32 HA GLU 32 -3.220 45.647 3.055 267 HB2 GLU 32 HB2 GLU 32 -3.342 46.199 0.711 268 HB3 GLU 32 HB1 GLU 32 -1.891 47.190 0.811 269 HG2 GLU 32 HG2 GLU 32 -0.522 45.239 1.175 270 HG3 GLU 32 HG1 GLU 32 -1.947 44.207 1.261 271 H HIS 33 HN HIS 33 -1.962 44.971 4.656 272 HA HIS 33 HA HIS 33 0.806 45.982 4.797 273 HB2 HIS 33 HB2 HIS 33 -0.993 45.080 7.063 274 HB3 HIS 33 HB1 HIS 33 0.717 45.461 7.238 275 HD1 HIS 33 HD1 HIS 33 1.309 48.030 6.376 276 HD2 HIS 33 HD2 HIS 33 -2.599 47.208 7.532 277 HE1 HIS 33 HE1 HIS 33 0.254 50.267 6.824 278 HE2 HIS 33 HE2 HIS 33 -2.045 49.728 7.700 279 H ALA 34 HN ALA 34 2.382 44.451 5.608 280 HA ALA 34 HA ALA 34 2.467 42.145 4.086 281 HB1 ALA 34 HB1 ALA 34 4.435 41.540 5.390 282 HB2 ALA 34 HB2 ALA 34 3.985 42.709 6.633 283 HB3 ALA 34 HB3 ALA 34 4.432 43.265 5.022 284 H ASP 35 HN ASP 35 1.162 42.592 7.302 285 HA ASP 35 HA ASP 35 0.888 39.730 7.752 286 HB2 ASP 35 HB2 ASP 35 1.484 41.171 9.641 287 HB3 ASP 35 HB1 ASP 35 0.003 42.094 9.426 288 H ARG 36 HN ARG 36 -1.141 42.498 6.906 289 HA ARG 36 HA ARG 36 -3.297 40.939 5.987 290 HB2 ARG 36 HB2 ARG 36 -4.941 41.286 7.744 291 HB3 ARG 36 HB1 ARG 36 -3.555 40.419 8.393 292 HG2 ARG 36 HG2 ARG 36 -2.704 42.531 9.350 293 HG3 ARG 36 HG1 ARG 36 -4.129 43.366 8.730 294 HD2 ARG 36 HD2 ARG 36 -5.551 41.855 10.096 295 HD3 ARG 36 HD1 ARG 36 -4.086 41.147 10.777 296 HE ARG 36 HE ARG 36 -3.823 43.831 11.228 297 HH11 ARG 36 HH11 ARG 36 -6.205 41.404 12.054 298 HH12 ARG 36 HH12 ARG 36 -6.738 42.229 13.483 299 HH21 ARG 36 HH21 ARG 36 -4.499 44.900 13.121 300 HH22 ARG 36 HH22 ARG 36 -5.749 44.203 14.104 301 H TYR 37 HN TYR 37 -5.338 42.287 5.815 302 HA TYR 37 HA TYR 37 -4.711 45.054 5.097 303 HB2 TYR 37 HB2 TYR 37 -7.282 43.522 4.607 304 HB3 TYR 37 HB1 TYR 37 -6.778 45.027 3.849 305 HD1 TYR 37 HD1 TYR 37 -5.018 45.009 2.114 306 HD2 TYR 37 HD2 TYR 37 -6.512 41.400 3.802 307 HE1 TYR 37 HE1 TYR 37 -4.058 43.740 0.240 308 HE2 TYR 37 HE2 TYR 37 -5.555 40.119 1.937 309 HH TYR 37 HH TYR 37 -4.863 40.504 -0.396 310 H SER 38 HN SER 38 -6.110 46.778 5.854 311 HA SER 38 HA SER 38 -8.061 46.199 7.922 312 HB2 SER 38 HB2 SER 38 -6.925 47.805 9.538 313 HB3 SER 38 HB1 SER 38 -6.121 46.250 9.323 314 HG SER 38 HG SER 38 -4.997 47.639 7.535 315 H CYS 39 HN CYS 39 -9.278 48.156 8.559 316 HA CYS 39 HA CYS 39 -9.023 50.411 6.697 317 HB2 CYS 39 HB2 CYS 39 -10.609 48.907 5.620 318 HB3 CYS 39 HB1 CYS 39 -11.547 48.791 7.089 319 H GLY 40 HN GLY 40 -9.036 52.218 7.915 320 HA2 GLY 40 HA2 GLY 40 -10.520 52.499 10.334 321 HA3 GLY 40 HA1 GLY 40 -9.912 53.813 9.330 322 H ARG 41 HN ARG 41 -12.226 54.444 10.240 323 HA ARG 41 HA ARG 41 -14.189 55.319 9.582 324 HB2 ARG 41 HB2 ARG 41 -13.076 55.333 7.276 325 HB3 ARG 41 HB1 ARG 41 -13.969 53.853 6.953 326 HG2 ARG 41 HG2 ARG 41 -16.078 55.109 7.452 327 HG3 ARG 41 HG1 ARG 41 -15.106 56.579 7.560 328 HD2 ARG 41 HD2 ARG 41 -14.281 56.056 5.229 329 HD3 ARG 41 HD1 ARG 41 -15.522 54.805 5.162 330 HE ARG 41 HE ARG 41 -16.041 57.697 5.443 331 HH11 ARG 41 HH11 ARG 41 -17.143 54.504 4.510 332 HH12 ARG 41 HH12 ARG 41 -18.509 55.103 3.620 333 HH21 ARG 41 HH21 ARG 41 -17.843 58.469 4.292 334 HH22 ARG 41 HH22 ARG 41 -18.911 57.347 3.513 335 H CYS 42 HN CYS 42 -13.854 51.879 8.487 336 HA CYS 42 HA CYS 42 -16.418 51.446 9.875 337 HB2 CYS 42 HB2 CYS 42 -17.227 49.993 8.200 338 HB3 CYS 42 HB1 CYS 42 -16.549 51.358 7.323 339 H GLY 43 HN GLY 43 -13.156 50.540 9.681 340 HA2 GLY 43 HA2 GLY 43 -12.009 49.143 11.120 341 HA3 GLY 43 HA1 GLY 43 -13.543 48.655 11.821 342 H TYR 44 HN TYR 44 -13.278 48.369 8.417 343 HA TYR 44 HA TYR 44 -13.658 45.566 8.446 344 HB2 TYR 44 HB2 TYR 44 -14.446 47.010 6.596 345 HB3 TYR 44 HB1 TYR 44 -12.779 47.346 6.147 346 HD1 TYR 44 HD2 TYR 44 -11.422 45.641 5.029 347 HD2 TYR 44 HD1 TYR 44 -15.475 44.861 6.077 348 HE1 TYR 44 HE2 TYR 44 -11.424 43.687 3.539 349 HE2 TYR 44 HE1 TYR 44 -15.486 42.903 4.590 350 HH TYR 44 HH TYR 44 -12.727 41.498 3.371 351 H THR 45 HN THR 45 -12.201 44.011 8.735 352 HA THR 45 HA THR 45 -9.393 44.488 7.998 353 HB THR 45 HB THR 45 -10.329 43.276 10.618 354 HG1 THR 45 HG1 THR 45 -9.465 45.139 11.526 355 HG21 THR 45 HG21 THR 45 -7.941 43.181 11.198 356 HG22 THR 45 HG22 THR 45 -7.523 43.739 9.578 357 HG23 THR 45 HG23 THR 45 -8.297 42.169 9.797 358 H GLU 46 HN GLU 46 -8.479 42.847 6.941 359 HA GLU 46 HA GLU 46 -9.612 40.146 7.078 360 HB2 GLU 46 HB2 GLU 46 -10.661 41.284 5.131 361 HB3 GLU 46 HB1 GLU 46 -9.063 41.635 4.488 362 HG2 GLU 46 HG2 GLU 46 -8.624 39.291 4.151 363 HG3 GLU 46 HG1 GLU 46 -10.132 38.853 4.955 364 H PHE 47 HN PHE 47 -8.029 38.527 6.728 365 HA PHE 47 HA PHE 47 -5.353 39.413 7.279 366 HB2 PHE 47 HB2 PHE 47 -6.480 36.641 6.841 367 HB3 PHE 47 HB1 PHE 47 -4.820 36.971 7.326 368 HD1 PHE 47 HD2 PHE 47 -4.585 38.518 9.438 369 HD2 PHE 47 HD1 PHE 47 -8.039 36.206 8.505 370 HE1 PHE 47 HE2 PHE 47 -5.267 38.585 11.801 371 HE2 PHE 47 HE1 PHE 47 -8.724 36.269 10.867 372 HZ PHE 47 HZ PHE 47 -7.337 37.461 12.518 373 H LYS 48 HN LYS 48 -3.450 38.820 6.062 374 HA LYS 48 HA LYS 48 -3.696 39.331 3.281 375 HB2 LYS 48 HB2 LYS 48 -1.560 39.096 5.184 376 HB3 LYS 48 HB1 LYS 48 -1.171 38.088 3.801 377 HG2 LYS 48 HG2 LYS 48 -1.799 41.040 3.763 378 HG3 LYS 48 HG1 LYS 48 -0.225 40.285 3.498 379 HD2 LYS 48 HD2 LYS 48 -1.124 39.175 1.482 380 HD3 LYS 48 HD1 LYS 48 -2.672 39.978 1.745 381 HE2 LYS 48 HE2 LYS 48 -1.491 42.171 1.555 382 HE3 LYS 48 HE1 LYS 48 -0.025 41.290 1.119 383 HZ1 LYS 48 HZ1 LYS 48 -2.591 41.286 -0.371 384 HZ2 LYS 48 HZ2 LYS 48 -1.252 40.346 -0.777 385 HZ3 LYS 48 HZ3 LYS 48 -1.158 42.035 -0.855 386 H LYS 49 HN LYS 49 -4.654 37.928 1.953 387 HA LYS 49 HA LYS 49 -4.449 35.064 2.485 388 HB2 LYS 49 HB2 LYS 49 -6.255 36.625 0.629 389 HB3 LYS 49 HB1 LYS 49 -6.282 34.874 0.804 390 HG2 LYS 49 HG2 LYS 49 -6.898 35.106 3.154 391 HG3 LYS 49 HG1 LYS 49 -6.848 36.865 3.000 392 HD2 LYS 49 HD2 LYS 49 -8.668 36.806 1.393 393 HD3 LYS 49 HD1 LYS 49 -8.679 35.040 1.428 394 HE2 LYS 49 HE2 LYS 49 -9.281 36.859 3.761 395 HE3 LYS 49 HE1 LYS 49 -10.475 35.992 2.798 396 HZ1 LYS 49 HZ1 LYS 49 -8.352 34.751 4.469 397 HZ2 LYS 49 HZ2 LYS 49 -9.463 33.904 3.519 398 HZ3 LYS 49 HZ3 LYS 49 -10.001 34.814 4.838 399 H ALA 50 HN ALA 50 -2.737 34.145 1.615 400 HA ALA 50 HA ALA 50 -1.591 33.027 0.025 401 HB1 ALA 50 HB1 ALA 50 -3.772 32.769 -1.066 402 HB2 ALA 50 HB2 ALA 50 -2.453 32.880 -2.231 403 HB3 ALA 50 HB3 ALA 50 -3.499 34.271 -1.948 404 H LYS 51 HN LYS 51 0.379 33.455 -0.550 405 HA LYS 51 HA LYS 51 1.012 35.923 -2.041 406 HB2 LYS 51 HB2 LYS 51 2.814 34.054 -0.481 407 HB3 LYS 51 HB1 LYS 51 3.372 35.424 -1.430 408 HG2 LYS 51 HG2 LYS 51 1.922 36.884 0.053 409 HG3 LYS 51 HG1 LYS 51 1.718 35.468 1.089 410 HD2 LYS 51 HD2 LYS 51 3.529 36.859 1.928 411 HD3 LYS 51 HD1 LYS 51 4.171 35.323 1.343 412 HE2 LYS 51 HE2 LYS 51 4.678 36.491 -0.840 413 HE3 LYS 51 HE1 LYS 51 4.258 38.005 -0.041 414 HZ1 LYS 51 HZ1 LYS 51 6.644 37.603 -0.023 415 HZ2 LYS 51 HZ2 LYS 51 6.422 36.150 0.811 416 HZ3 LYS 51 HZ3 LYS 51 6.032 37.619 1.552 417 H LYS 52 HN LYS 52 3.137 35.316 -3.485 418 HA LYS 52 HA LYS 52 2.830 32.713 -4.726 419 HB2 LYS 52 HB2 LYS 52 2.853 33.934 -7.051 420 HB3 LYS 52 HB1 LYS 52 1.345 33.665 -6.196 421 HG2 LYS 52 HG2 LYS 52 1.287 35.868 -7.077 422 HG3 LYS 52 HG1 LYS 52 1.489 36.004 -5.332 423 HD2 LYS 52 HD2 LYS 52 3.817 36.540 -5.577 424 HD3 LYS 52 HD1 LYS 52 3.774 36.175 -7.303 425 HE2 LYS 52 HE2 LYS 52 2.165 38.374 -6.000 426 HE3 LYS 52 HE1 LYS 52 3.743 38.621 -6.745 427 HZ1 LYS 52 HZ1 LYS 52 2.897 38.059 -8.851 428 HZ2 LYS 52 HZ2 LYS 52 1.757 39.114 -8.182 429 HZ3 LYS 52 HZ3 LYS 52 1.452 37.451 -8.218 430 H SER 53 HN SER 53 4.631 31.892 -5.545 431 HA SER 53 HA SER 53 6.803 31.590 -6.083 432 HB2 SER 53 HB2 SER 53 6.720 34.549 -6.724 433 HB3 SER 53 HB1 SER 53 7.999 33.437 -7.214 434 HG SER 53 HG SER 53 6.217 32.207 -8.238 435 H LYS 54 HN LYS 54 9.134 32.651 -5.679 436 HA LYS 54 HA LYS 54 9.267 33.217 -2.792 437 HB2 LYS 54 HB2 LYS 54 11.407 32.209 -4.691 438 HB3 LYS 54 HB1 LYS 54 11.602 32.430 -2.955 439 HG2 LYS 54 HG2 LYS 54 9.922 30.713 -2.531 440 HG3 LYS 54 HG1 LYS 54 9.678 30.511 -4.267 441 HD2 LYS 54 HD2 LYS 54 12.028 29.800 -4.500 442 HD3 LYS 54 HD1 LYS 54 12.246 29.975 -2.756 443 HE2 LYS 54 HE2 LYS 54 10.534 28.259 -2.375 444 HE3 LYS 54 HE1 LYS 54 10.311 28.090 -4.115 445 HZ1 LYS 54 HZ1 LYS 54 12.593 27.332 -4.302 446 HZ2 LYS 54 HZ2 LYS 54 11.737 26.357 -3.216 447 HZ3 LYS 54 HZ3 LYS 54 12.822 27.516 -2.635 448 H SER 55 HN SER 55 8.750 35.119 -5.062 449 HA SER 55 HA SER 55 10.962 36.992 -4.543 450 HB2 SER 55 HB2 SER 55 9.288 36.745 -7.066 451 HB3 SER 55 HB1 SER 55 10.556 37.942 -6.785 452 HG SER 55 HG SER 55 11.614 35.588 -6.259 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 -27.543 14.307 -19.882 2 H2 MET 1 HT2 MET 1 -28.381 13.271 -18.846 3 H3 MET 1 HT3 MET 1 -26.940 13.991 -18.335 4 HA MET 1 HA MET 1 -29.443 15.428 -18.975 5 HB2 MET 1 HB2 MET 1 -28.130 14.812 -16.315 6 HB3 MET 1 HB1 MET 1 -29.472 15.929 -16.526 7 HG2 MET 1 HG2 MET 1 -30.859 14.079 -17.359 8 HG3 MET 1 HG1 MET 1 -29.515 12.969 -17.086 9 HE1 MET 1 HE1 MET 1 -31.175 11.446 -15.590 10 HE2 MET 1 HE2 MET 1 -32.471 12.605 -15.892 11 HE3 MET 1 HE3 MET 1 -32.110 12.092 -14.243 12 H GLN 2 HN GLN 2 -28.943 17.370 -19.771 13 HA GLN 2 HA GLN 2 -26.367 18.564 -19.414 14 HB2 GLN 2 HB2 GLN 2 -27.320 20.477 -20.666 15 HB3 GLN 2 HB1 GLN 2 -27.567 18.940 -21.481 16 HG2 GLN 2 HG2 GLN 2 -29.888 18.901 -20.594 17 HG3 GLN 2 HG1 GLN 2 -29.616 20.508 -19.922 18 HE21 GLN 2 HE21 GLN 2 -31.568 19.690 -21.890 19 HE22 GLN 2 HE22 GLN 2 -31.269 20.651 -23.296 20 H LYS 3 HN LYS 3 -25.805 19.249 -17.464 21 HA LYS 3 HA LYS 3 -27.803 20.582 -15.763 22 HB2 LYS 3 HB2 LYS 3 -25.175 19.265 -15.022 23 HB3 LYS 3 HB1 LYS 3 -26.299 20.005 -13.888 24 HG2 LYS 3 HG2 LYS 3 -27.990 18.357 -14.417 25 HG3 LYS 3 HG1 LYS 3 -26.956 17.654 -15.663 26 HD2 LYS 3 HD2 LYS 3 -25.328 17.002 -13.956 27 HD3 LYS 3 HD1 LYS 3 -26.330 17.741 -12.705 28 HE2 LYS 3 HE2 LYS 3 -28.129 16.161 -13.203 29 HE3 LYS 3 HE1 LYS 3 -27.153 15.435 -14.480 30 HZ1 LYS 3 HZ1 LYS 3 -25.555 14.727 -12.835 31 HZ2 LYS 3 HZ2 LYS 3 -27.093 14.161 -12.418 32 HZ3 LYS 3 HZ3 LYS 3 -26.431 15.485 -11.600 33 H ARG 4 HN ARG 4 -24.476 20.858 -16.940 34 HA ARG 4 HA ARG 4 -24.574 23.757 -16.456 35 HB2 ARG 4 HB2 ARG 4 -22.238 21.964 -15.723 36 HB3 ARG 4 HB1 ARG 4 -22.248 23.721 -15.620 37 HG2 ARG 4 HG2 ARG 4 -23.995 23.621 -13.912 38 HG3 ARG 4 HG1 ARG 4 -24.022 21.863 -14.034 39 HD2 ARG 4 HD2 ARG 4 -21.643 21.822 -13.332 40 HD3 ARG 4 HD1 ARG 4 -21.710 23.572 -13.112 41 HE ARG 4 HE ARG 4 -23.761 22.224 -11.648 42 HH11 ARG 4 HH11 ARG 4 -20.383 23.138 -11.566 43 HH12 ARG 4 HH12 ARG 4 -20.275 23.055 -9.836 44 HH21 ARG 4 HH21 ARG 4 -23.625 22.113 -9.380 45 HH22 ARG 4 HH22 ARG 4 -22.114 22.457 -8.589 46 H GLU 5 HN GLU 5 -22.619 24.813 -17.599 47 HA GLU 5 HA GLU 5 -21.615 23.376 -19.902 48 HB2 GLU 5 HB2 GLU 5 -24.035 24.490 -20.308 49 HB3 GLU 5 HB1 GLU 5 -23.042 25.902 -20.617 50 HG2 GLU 5 HG2 GLU 5 -22.964 23.264 -22.071 51 HG3 GLU 5 HG1 GLU 5 -23.532 24.811 -22.692 52 H LEU 6 HN LEU 6 -22.167 26.701 -18.748 53 HA LEU 6 HA LEU 6 -19.785 27.746 -19.843 54 HB2 LEU 6 HB2 LEU 6 -21.488 28.812 -17.585 55 HB3 LEU 6 HB1 LEU 6 -20.272 29.728 -18.454 56 HG LEU 6 HG LEU 6 -22.810 28.604 -19.662 57 HD11 LEU 6 HD11 LEU 6 -23.261 30.452 -18.138 58 HD12 LEU 6 HD12 LEU 6 -23.538 30.930 -19.813 59 HD13 LEU 6 HD13 LEU 6 -22.074 31.451 -18.974 60 HD21 LEU 6 HD21 LEU 6 -20.677 30.373 -20.873 61 HD22 LEU 6 HD22 LEU 6 -22.200 29.920 -21.639 62 HD23 LEU 6 HD23 LEU 6 -20.992 28.685 -21.286 63 H TYR 7 HN TYR 7 -18.003 28.683 -18.658 64 HA TYR 7 HA TYR 7 -17.354 27.524 -16.063 65 HB2 TYR 7 HB2 TYR 7 -15.090 26.813 -16.937 66 HB3 TYR 7 HB1 TYR 7 -16.440 25.849 -17.526 67 HD1 TYR 7 HD2 TYR 7 -17.133 25.966 -19.863 68 HD2 TYR 7 HD1 TYR 7 -13.837 28.264 -18.455 69 HE1 TYR 7 HE2 TYR 7 -16.443 26.385 -22.181 70 HE2 TYR 7 HE1 TYR 7 -13.139 28.689 -20.774 71 HH TYR 7 HH TYR 7 -15.146 27.957 -23.464 72 H GLU 8 HN GLU 8 -15.855 28.743 -14.904 73 HA GLU 8 HA GLU 8 -15.522 31.474 -15.888 74 HB2 GLU 8 HB2 GLU 8 -15.120 30.305 -13.123 75 HB3 GLU 8 HB1 GLU 8 -14.972 32.010 -13.532 76 HG2 GLU 8 HG2 GLU 8 -17.473 30.334 -13.696 77 HG3 GLU 8 HG1 GLU 8 -17.112 31.572 -12.493 78 H ILE 9 HN ILE 9 -13.704 31.889 -16.938 79 HA ILE 9 HA ILE 9 -11.150 31.068 -15.715 80 HB ILE 9 HB ILE 9 -10.134 30.895 -17.966 81 HG12 ILE 9 HG12 ILE 9 -12.988 31.069 -18.982 82 HG13 ILE 9 HG11 ILE 9 -11.767 32.323 -19.167 83 HG21 ILE 9 HG21 ILE 9 -12.469 29.031 -17.523 84 HG22 ILE 9 HG22 ILE 9 -10.860 28.873 -16.816 85 HG23 ILE 9 HG23 ILE 9 -11.077 28.711 -18.559 86 HD11 ILE 9 HD11 ILE 9 -11.656 29.557 -20.347 87 HD12 ILE 9 HD12 ILE 9 -10.419 30.802 -20.529 88 HD13 ILE 9 HD13 ILE 9 -12.028 31.048 -21.207 89 H ALA 10 HN ALA 10 -13.081 33.526 -17.174 90 HA ALA 10 HA ALA 10 -10.952 35.280 -17.932 91 HB1 ALA 10 HB1 ALA 10 -13.114 35.331 -19.075 92 HB2 ALA 10 HB2 ALA 10 -12.722 36.906 -18.384 93 HB3 ALA 10 HB3 ALA 10 -13.897 35.858 -17.586 94 H ASP 11 HN ASP 11 -9.725 36.346 -16.557 95 HA ASP 11 HA ASP 11 -10.792 38.146 -14.636 96 HB2 ASP 11 HB2 ASP 11 -10.954 36.035 -13.315 97 HB3 ASP 11 HB1 ASP 11 -9.221 35.795 -13.523 98 H GLY 12 HN GLY 12 -7.795 36.240 -14.793 99 HA2 GLY 12 HA2 GLY 12 -5.705 36.756 -15.560 100 HA3 GLY 12 HA1 GLY 12 -6.414 38.125 -16.393 101 H LYS 13 HN LYS 13 -6.486 40.138 -15.373 102 HA LYS 13 HA LYS 13 -4.132 40.819 -14.060 103 HB2 LYS 13 HB2 LYS 13 -5.410 42.417 -15.395 104 HB3 LYS 13 HB1 LYS 13 -6.727 42.373 -14.230 105 HG2 LYS 13 HG2 LYS 13 -5.198 43.321 -12.521 106 HG3 LYS 13 HG1 LYS 13 -3.946 43.451 -13.760 107 HD2 LYS 13 HD2 LYS 13 -5.367 44.967 -15.054 108 HD3 LYS 13 HD1 LYS 13 -6.649 44.807 -13.851 109 HE2 LYS 13 HE2 LYS 13 -5.127 45.769 -12.154 110 HE3 LYS 13 HE1 LYS 13 -3.909 46.000 -13.410 111 HZ1 LYS 13 HZ1 LYS 13 -6.606 47.247 -13.355 112 HZ2 LYS 13 HZ2 LYS 13 -5.453 47.461 -14.571 113 HZ3 LYS 13 HZ3 LYS 13 -5.144 48.029 -13.010 114 H LEU 14 HN LEU 14 -3.514 40.436 -12.054 115 HA LEU 14 HA LEU 14 -5.511 40.261 -9.907 116 HB2 LEU 14 HB2 LEU 14 -2.610 39.408 -9.987 117 HB3 LEU 14 HB1 LEU 14 -3.662 39.242 -8.591 118 HG LEU 14 HG LEU 14 -4.032 37.847 -11.252 119 HD11 LEU 14 HD11 LEU 14 -2.132 36.969 -10.006 120 HD12 LEU 14 HD12 LEU 14 -3.459 35.810 -10.022 121 HD13 LEU 14 HD13 LEU 14 -3.144 36.768 -8.575 122 HD21 LEU 14 HD21 LEU 14 -6.174 38.318 -10.188 123 HD22 LEU 14 HD22 LEU 14 -5.603 37.603 -8.680 124 HD23 LEU 14 HD23 LEU 14 -5.810 36.594 -10.112 125 H VAL 15 HN VAL 15 -5.825 42.058 -8.786 126 HA VAL 15 HA VAL 15 -3.864 44.203 -8.832 127 HB VAL 15 HB VAL 15 -6.600 44.110 -7.523 128 HG11 VAL 15 HG11 VAL 15 -5.183 45.818 -6.532 129 HG12 VAL 15 HG12 VAL 15 -6.440 46.568 -7.515 130 HG13 VAL 15 HG13 VAL 15 -4.790 46.456 -8.130 131 HG21 VAL 15 HG21 VAL 15 -5.787 45.236 -10.213 132 HG22 VAL 15 HG22 VAL 15 -7.384 45.375 -9.476 133 HG23 VAL 15 HG23 VAL 15 -6.763 43.791 -9.939 134 H ARG 16 HN ARG 16 -2.297 44.241 -7.376 135 HA ARG 16 HA ARG 16 -2.601 42.863 -4.824 136 HB2 ARG 16 HB2 ARG 16 -0.236 44.001 -6.302 137 HB3 ARG 16 HB1 ARG 16 -0.117 43.604 -4.597 138 HG2 ARG 16 HG2 ARG 16 0.739 41.766 -5.839 139 HG3 ARG 16 HG1 ARG 16 -0.806 41.275 -5.147 140 HD2 ARG 16 HD2 ARG 16 -1.892 41.700 -7.316 141 HD3 ARG 16 HD1 ARG 16 -0.330 42.160 -7.996 142 HE ARG 16 HE ARG 16 -0.540 39.503 -6.811 143 HH11 ARG 16 HH11 ARG 16 -0.508 41.439 -9.732 144 HH12 ARG 16 HH12 ARG 16 -0.117 40.098 -10.760 145 HH21 ARG 16 HH21 ARG 16 -0.036 37.750 -8.154 146 HH22 ARG 16 HH22 ARG 16 0.135 37.988 -9.867 147 H LYS 17 HN LYS 17 -0.674 45.791 -5.280 148 HA LYS 17 HA LYS 17 -1.919 46.859 -2.857 149 HB2 LYS 17 HB2 LYS 17 0.653 47.535 -4.297 150 HB3 LYS 17 HB1 LYS 17 0.040 48.475 -2.942 151 HG2 LYS 17 HG2 LYS 17 0.196 46.552 -1.482 152 HG3 LYS 17 HG1 LYS 17 0.692 45.533 -2.836 153 HD2 LYS 17 HD2 LYS 17 2.760 46.705 -3.067 154 HD3 LYS 17 HD1 LYS 17 2.243 47.966 -1.948 155 HE2 LYS 17 HE2 LYS 17 3.834 46.415 -0.912 156 HE3 LYS 17 HE1 LYS 17 2.266 46.380 -0.109 157 HZ1 LYS 17 HZ1 LYS 17 1.733 44.349 -1.250 158 HZ2 LYS 17 HZ2 LYS 17 3.209 44.166 -0.445 159 HZ3 LYS 17 HZ3 LYS 17 3.185 44.398 -2.120 160 H HIS 18 HN HIS 18 -3.837 47.338 -4.106 161 HA HIS 18 HA HIS 18 -4.052 50.103 -4.641 162 HB2 HIS 18 HB2 HIS 18 -2.981 49.323 -6.805 163 HB3 HIS 18 HB1 HIS 18 -4.406 48.335 -7.091 164 HD1 HIS 18 HD1 HIS 18 -3.395 51.976 -6.770 165 HD2 HIS 18 HD2 HIS 18 -6.487 49.653 -8.295 166 HE1 HIS 18 HE1 HIS 18 -4.867 53.562 -8.044 167 HE2 HIS 18 HE2 HIS 18 -6.801 52.160 -8.840 168 H ARG 19 HN ARG 19 -5.162 47.976 -3.063 169 HA ARG 19 HA ARG 19 -7.790 47.365 -4.153 170 HB2 ARG 19 HB2 ARG 19 -6.598 46.645 -1.458 171 HB3 ARG 19 HB1 ARG 19 -8.048 45.957 -2.176 172 HG2 ARG 19 HG2 ARG 19 -5.297 45.697 -3.380 173 HG3 ARG 19 HG1 ARG 19 -6.013 44.506 -2.293 174 HD2 ARG 19 HD2 ARG 19 -7.345 45.390 -4.847 175 HD3 ARG 19 HD1 ARG 19 -6.207 44.045 -4.784 176 HE ARG 19 HE ARG 19 -8.701 44.099 -3.200 177 HH11 ARG 19 HH11 ARG 19 -6.433 42.439 -5.305 178 HH12 ARG 19 HH12 ARG 19 -7.292 40.929 -5.232 179 HH21 ARG 19 HH21 ARG 19 -9.810 42.104 -3.098 180 HH22 ARG 19 HH22 ARG 19 -9.198 40.741 -3.985 181 H PHE 20 HN PHE 20 -9.470 48.680 -3.816 182 HA PHE 20 HA PHE 20 -9.403 50.527 -1.536 183 HB2 PHE 20 HB2 PHE 20 -11.028 50.505 -4.085 184 HB3 PHE 20 HB1 PHE 20 -11.410 51.568 -2.733 185 HD1 PHE 20 HD2 PHE 20 -8.640 50.660 -5.066 186 HD2 PHE 20 HD1 PHE 20 -10.346 53.630 -2.527 187 HE1 PHE 20 HE2 PHE 20 -6.991 52.300 -5.874 188 HE2 PHE 20 HE1 PHE 20 -8.699 55.265 -3.331 189 HZ PHE 20 HZ PHE 20 -7.019 54.604 -5.006 190 H CYS 21 HN CYS 21 -10.857 50.428 0.074 191 HA CYS 21 HA CYS 21 -11.861 47.982 0.854 192 HB2 CYS 21 HB2 CYS 21 -11.464 49.920 2.344 193 HB3 CYS 21 HB1 CYS 21 -12.892 50.702 1.683 194 HA PRO 22 HA PRO 22 -15.207 46.918 -1.789 195 HB2 PRO 22 HB2 PRO 22 -16.691 46.335 0.727 196 HB3 PRO 22 HB1 PRO 22 -16.419 45.313 -0.686 197 HG2 PRO 22 HG2 PRO 22 -15.033 45.151 1.703 198 HG3 PRO 22 HG1 PRO 22 -14.488 44.480 0.160 199 HD2 PRO 22 HD2 PRO 22 -13.348 46.648 1.663 200 HD3 PRO 22 HD1 PRO 22 -12.789 45.975 0.123 201 H ARG 23 HN ARG 23 -16.344 48.510 1.219 202 HA ARG 23 HA ARG 23 -18.453 49.776 -0.352 203 HB2 ARG 23 HB2 ARG 23 -18.199 49.742 2.657 204 HB3 ARG 23 HB1 ARG 23 -19.608 50.201 1.708 205 HG2 ARG 23 HG2 ARG 23 -19.376 47.741 0.784 206 HG3 ARG 23 HG1 ARG 23 -18.520 47.494 2.306 207 HD2 ARG 23 HD2 ARG 23 -21.363 48.407 1.898 208 HD3 ARG 23 HD1 ARG 23 -20.804 46.922 2.666 209 HE ARG 23 HE ARG 23 -20.058 49.459 3.916 210 HH11 ARG 23 HH11 ARG 23 -22.030 46.574 3.948 211 HH12 ARG 23 HH12 ARG 23 -22.621 46.836 5.559 212 HH21 ARG 23 HH21 ARG 23 -20.831 49.813 6.047 213 HH22 ARG 23 HH22 ARG 23 -21.940 48.678 6.748 214 H CYS 24 HN CYS 24 -15.790 50.679 1.847 215 HA CYS 24 HA CYS 24 -16.377 53.493 1.696 216 HB2 CYS 24 HB2 CYS 24 -13.701 52.322 2.466 217 HB3 CYS 24 HB1 CYS 24 -14.355 53.894 2.897 218 H GLY 25 HN GLY 25 -15.290 51.470 -0.617 219 HA2 GLY 25 HA2 GLY 25 -12.936 52.175 -1.677 220 HA3 GLY 25 HA1 GLY 25 -14.332 51.846 -2.676 221 HA PRO 26 HA PRO 26 -14.622 56.148 -3.913 222 HB2 PRO 26 HB2 PRO 26 -17.137 56.632 -2.409 223 HB3 PRO 26 HB1 PRO 26 -16.810 56.798 -4.138 224 HG2 PRO 26 HG2 PRO 26 -18.282 54.767 -3.196 225 HG3 PRO 26 HG1 PRO 26 -17.166 54.546 -4.558 226 HD2 PRO 26 HD2 PRO 26 -16.819 53.772 -1.681 227 HD3 PRO 26 HD1 PRO 26 -16.358 52.888 -3.152 228 H GLY 27 HN GLY 27 -12.781 56.533 -2.447 229 HA2 GLY 27 HA2 GLY 27 -12.224 58.704 -1.410 230 HA3 GLY 27 HA1 GLY 27 -13.559 58.426 -0.306 231 H VAL 28 HN VAL 28 -12.696 55.485 -0.151 232 HA VAL 28 HA VAL 28 -10.278 55.843 1.495 233 HB VAL 28 HB VAL 28 -12.709 54.310 2.432 234 HG11 VAL 28 HG11 VAL 28 -10.625 53.338 3.223 235 HG12 VAL 28 HG12 VAL 28 -11.481 54.113 4.556 236 HG13 VAL 28 HG13 VAL 28 -10.094 54.911 3.815 237 HG21 VAL 28 HG21 VAL 28 -13.143 56.709 2.509 238 HG22 VAL 28 HG22 VAL 28 -11.634 56.968 3.387 239 HG23 VAL 28 HG23 VAL 28 -12.949 56.067 4.141 240 H PHE 29 HN PHE 29 -8.793 54.450 0.979 241 HA PHE 29 HA PHE 29 -9.292 52.198 -0.737 242 HB2 PHE 29 HB2 PHE 29 -6.818 51.911 -0.614 243 HB3 PHE 29 HB1 PHE 29 -7.295 53.542 -1.074 244 HD1 PHE 29 HD2 PHE 29 -7.142 55.391 0.593 245 HD2 PHE 29 HD1 PHE 29 -5.576 51.506 1.383 246 HE1 PHE 29 HE2 PHE 29 -5.795 56.309 2.436 247 HE2 PHE 29 HE1 PHE 29 -4.228 52.423 3.226 248 HZ PHE 29 HZ PHE 29 -4.335 54.826 3.753 249 H LEU 30 HN LEU 30 -7.468 50.323 0.092 250 HA LEU 30 HA LEU 30 -8.230 49.537 2.832 251 HB2 LEU 30 HB2 LEU 30 -9.442 48.190 1.093 252 HB3 LEU 30 HB1 LEU 30 -7.890 47.670 0.469 253 HG LEU 30 HG LEU 30 -7.416 46.605 2.689 254 HD11 LEU 30 HD11 LEU 30 -10.308 47.275 3.249 255 HD12 LEU 30 HD12 LEU 30 -8.903 47.948 4.075 256 HD13 LEU 30 HD13 LEU 30 -9.279 46.233 4.230 257 HD21 LEU 30 HD21 LEU 30 -8.900 44.686 2.338 258 HD22 LEU 30 HD22 LEU 30 -8.241 45.280 0.815 259 HD23 LEU 30 HD23 LEU 30 -9.906 45.656 1.259 260 H ALA 31 HN ALA 31 -6.407 49.708 3.986 261 HA ALA 31 HA ALA 31 -3.839 49.844 2.735 262 HB1 ALA 31 HB1 ALA 31 -2.986 50.235 4.982 263 HB2 ALA 31 HB2 ALA 31 -4.536 49.754 5.675 264 HB3 ALA 31 HB3 ALA 31 -4.426 51.212 4.687 265 H GLU 32 HN GLU 32 -2.866 48.043 1.999 266 HA GLU 32 HA GLU 32 -3.140 45.503 3.315 267 HB2 GLU 32 HB2 GLU 32 -2.756 45.574 0.880 268 HB3 GLU 32 HB1 GLU 32 -1.194 46.346 1.143 269 HG2 GLU 32 HG2 GLU 32 -0.506 44.332 2.460 270 HG3 GLU 32 HG1 GLU 32 -2.007 43.560 1.965 271 H HIS 33 HN HIS 33 -1.921 44.700 4.870 272 HA HIS 33 HA HIS 33 0.740 45.862 5.385 273 HB2 HIS 33 HB2 HIS 33 -1.170 44.762 7.480 274 HB3 HIS 33 HB1 HIS 33 0.421 45.455 7.778 275 HD1 HIS 33 HD1 HIS 33 0.621 48.032 7.710 276 HD2 HIS 33 HD2 HIS 33 -3.224 46.608 7.031 277 HE1 HIS 33 HE1 HIS 33 -0.881 50.039 7.891 278 HE2 HIS 33 HE2 HIS 33 -3.213 49.134 7.585 279 H ALA 34 HN ALA 34 2.232 44.252 6.374 280 HA ALA 34 HA ALA 34 2.451 42.022 4.746 281 HB1 ALA 34 HB1 ALA 34 3.679 42.409 7.478 282 HB2 ALA 34 HB2 ALA 34 4.336 43.007 5.954 283 HB3 ALA 34 HB3 ALA 34 4.227 41.271 6.247 284 H ASP 35 HN ASP 35 0.818 42.344 7.819 285 HA ASP 35 HA ASP 35 0.488 39.448 8.081 286 HB2 ASP 35 HB2 ASP 35 -0.273 41.701 9.960 287 HB3 ASP 35 HB1 ASP 35 -0.481 39.986 10.305 288 H ARG 36 HN ARG 36 -1.341 42.236 7.093 289 HA ARG 36 HA ARG 36 -3.650 40.781 6.377 290 HB2 ARG 36 HB2 ARG 36 -5.215 41.660 8.119 291 HB3 ARG 36 HB1 ARG 36 -4.036 40.514 8.752 292 HG2 ARG 36 HG2 ARG 36 -2.671 42.413 9.561 293 HG3 ARG 36 HG1 ARG 36 -3.909 43.526 8.979 294 HD2 ARG 36 HD2 ARG 36 -5.532 42.495 10.515 295 HD3 ARG 36 HD1 ARG 36 -4.274 41.410 11.105 296 HE ARG 36 HE ARG 36 -3.137 43.762 11.567 297 HH11 ARG 36 HH11 ARG 36 -6.403 42.691 12.256 298 HH12 ARG 36 HH12 ARG 36 -6.584 43.741 13.624 299 HH21 ARG 36 HH21 ARG 36 -3.377 45.123 13.362 300 HH22 ARG 36 HH22 ARG 36 -4.867 45.120 14.255 301 H TYR 37 HN TYR 37 -5.471 42.184 5.772 302 HA TYR 37 HA TYR 37 -4.641 44.881 4.956 303 HB2 TYR 37 HB2 TYR 37 -7.243 43.479 4.264 304 HB3 TYR 37 HB1 TYR 37 -6.503 44.845 3.438 305 HD1 TYR 37 HD1 TYR 37 -6.479 41.207 3.868 306 HD2 TYR 37 HD2 TYR 37 -4.671 44.487 1.844 307 HE1 TYR 37 HE1 TYR 37 -5.446 39.646 2.277 308 HE2 TYR 37 HE2 TYR 37 -3.637 42.931 0.242 309 HH TYR 37 HH TYR 37 -4.579 39.755 -0.114 310 H SER 38 HN SER 38 -5.876 46.730 5.654 311 HA SER 38 HA SER 38 -8.028 46.240 7.567 312 HB2 SER 38 HB2 SER 38 -5.914 46.260 8.898 313 HB3 SER 38 HB1 SER 38 -5.614 47.906 8.339 314 HG SER 38 HG SER 38 -7.721 46.958 9.988 315 H CYS 39 HN CYS 39 -9.134 48.211 8.229 316 HA CYS 39 HA CYS 39 -8.905 50.452 6.334 317 HB2 CYS 39 HB2 CYS 39 -10.624 49.042 5.408 318 HB3 CYS 39 HB1 CYS 39 -11.389 48.856 6.977 319 H GLY 40 HN GLY 40 -8.373 52.057 7.729 320 HA2 GLY 40 HA2 GLY 40 -9.480 52.317 10.362 321 HA3 GLY 40 HA1 GLY 40 -8.498 53.504 9.515 322 H ARG 41 HN ARG 41 -11.731 52.058 9.281 323 HA ARG 41 HA ARG 41 -13.061 54.585 9.394 324 HB2 ARG 41 HB2 ARG 41 -12.751 53.182 6.756 325 HB3 ARG 41 HB1 ARG 41 -14.266 54.003 7.103 326 HG2 ARG 41 HG2 ARG 41 -11.535 55.288 7.137 327 HG3 ARG 41 HG1 ARG 41 -12.717 55.413 5.831 328 HD2 ARG 41 HD2 ARG 41 -14.285 56.527 7.314 329 HD3 ARG 41 HD1 ARG 41 -13.182 56.325 8.676 330 HE ARG 41 HE ARG 41 -11.740 57.714 6.802 331 HH11 ARG 41 HH11 ARG 41 -14.807 58.202 8.430 332 HH12 ARG 41 HH12 ARG 41 -14.661 59.931 8.448 333 HH21 ARG 41 HH21 ARG 41 -11.560 60.012 6.841 334 HH22 ARG 41 HH22 ARG 41 -12.826 60.953 7.568 335 H CYS 42 HN CYS 42 -13.892 51.488 7.811 336 HA CYS 42 HA CYS 42 -16.190 51.272 9.610 337 HB2 CYS 42 HB2 CYS 42 -17.070 49.597 8.082 338 HB3 CYS 42 HB1 CYS 42 -16.602 51.031 7.177 339 H GLY 43 HN GLY 43 -13.070 50.343 9.707 340 HA2 GLY 43 HA2 GLY 43 -11.970 48.876 11.085 341 HA3 GLY 43 HA1 GLY 43 -13.529 48.420 11.761 342 H TYR 44 HN TYR 44 -12.930 48.229 8.351 343 HA TYR 44 HA TYR 44 -13.364 45.388 8.346 344 HB2 TYR 44 HB2 TYR 44 -14.206 46.880 6.507 345 HB3 TYR 44 HB1 TYR 44 -12.538 47.166 6.022 346 HD1 TYR 44 HD1 TYR 44 -15.230 44.651 6.203 347 HD2 TYR 44 HD2 TYR 44 -11.297 45.484 4.789 348 HE1 TYR 44 HE1 TYR 44 -15.315 42.640 4.792 349 HE2 TYR 44 HE2 TYR 44 -11.376 43.472 3.376 350 HH TYR 44 HH TYR 44 -12.600 41.282 3.339 351 H THR 45 HN THR 45 -11.786 44.139 9.043 352 HA THR 45 HA THR 45 -9.077 44.550 7.977 353 HB THR 45 HB THR 45 -9.734 43.645 10.798 354 HG1 THR 45 HG1 THR 45 -9.264 45.651 11.437 355 HG21 THR 45 HG21 THR 45 -7.083 44.229 9.467 356 HG22 THR 45 HG22 THR 45 -7.685 42.635 9.925 357 HG23 THR 45 HG23 THR 45 -7.315 43.828 11.169 358 H GLU 46 HN GLU 46 -8.348 42.811 6.951 359 HA GLU 46 HA GLU 46 -9.576 40.191 7.486 360 HB2 GLU 46 HB2 GLU 46 -10.610 41.218 5.493 361 HB3 GLU 46 HB1 GLU 46 -9.023 41.412 4.765 362 HG2 GLU 46 HG2 GLU 46 -8.743 39.027 4.616 363 HG3 GLU 46 HG1 GLU 46 -10.250 38.758 5.492 364 H PHE 47 HN PHE 47 -8.136 38.567 7.676 365 HA PHE 47 HA PHE 47 -5.401 39.081 7.935 366 HB2 PHE 47 HB2 PHE 47 -6.818 36.443 7.518 367 HB3 PHE 47 HB1 PHE 47 -5.132 36.596 7.994 368 HD1 PHE 47 HD2 PHE 47 -4.812 38.276 10.072 369 HD2 PHE 47 HD1 PHE 47 -8.315 36.008 9.216 370 HE1 PHE 47 HE2 PHE 47 -5.480 38.412 12.439 371 HE2 PHE 47 HE1 PHE 47 -8.986 36.141 11.578 372 HZ PHE 47 HZ PHE 47 -7.568 37.344 13.192 373 H LYS 48 HN LYS 48 -3.611 38.484 6.690 374 HA LYS 48 HA LYS 48 -3.817 39.279 4.020 375 HB2 LYS 48 HB2 LYS 48 -1.740 38.823 5.817 376 HB3 LYS 48 HB1 LYS 48 -1.440 37.647 4.548 377 HG2 LYS 48 HG2 LYS 48 -1.737 40.627 4.186 378 HG3 LYS 48 HG1 LYS 48 -0.232 39.712 4.134 379 HD2 LYS 48 HD2 LYS 48 -1.021 38.502 2.155 380 HD3 LYS 48 HD1 LYS 48 -2.552 39.379 2.220 381 HE2 LYS 48 HE2 LYS 48 -1.297 41.500 1.927 382 HE3 LYS 48 HE1 LYS 48 0.185 40.563 1.748 383 HZ1 LYS 48 HZ1 LYS 48 -0.805 41.225 -0.383 384 HZ2 LYS 48 HZ2 LYS 48 -2.189 40.319 -0.018 385 HZ3 LYS 48 HZ3 LYS 48 -0.697 39.543 -0.221 386 H LYS 49 HN LYS 49 -5.146 38.125 2.726 387 HA LYS 49 HA LYS 49 -5.224 35.319 2.475 388 HB2 LYS 49 HB2 LYS 49 -6.981 36.884 1.633 389 HB3 LYS 49 HB1 LYS 49 -5.876 37.409 0.372 390 HG2 LYS 49 HG2 LYS 49 -5.875 35.169 -0.590 391 HG3 LYS 49 HG1 LYS 49 -6.933 34.600 0.703 392 HD2 LYS 49 HD2 LYS 49 -8.663 36.211 -0.037 393 HD3 LYS 49 HD1 LYS 49 -7.608 36.710 -1.360 394 HE2 LYS 49 HE2 LYS 49 -7.685 34.455 -2.292 395 HE3 LYS 49 HE1 LYS 49 -8.685 33.917 -0.941 396 HZ1 LYS 49 HZ1 LYS 49 -9.443 35.934 -2.988 397 HZ2 LYS 49 HZ2 LYS 49 -10.397 35.500 -1.661 398 HZ3 LYS 49 HZ3 LYS 49 -10.044 34.359 -2.861 399 H ALA 50 HN ALA 50 -3.073 34.637 2.467 400 HA ALA 50 HA ALA 50 -1.143 35.735 0.664 401 HB1 ALA 50 HB1 ALA 50 -0.512 34.929 2.883 402 HB2 ALA 50 HB2 ALA 50 0.389 34.096 1.617 403 HB3 ALA 50 HB3 ALA 50 -0.957 33.288 2.419 404 H LYS 51 HN LYS 51 -1.999 35.384 -1.403 405 HA LYS 51 HA LYS 51 -2.051 32.629 -2.372 406 HB2 LYS 51 HB2 LYS 51 -2.634 35.282 -3.709 407 HB3 LYS 51 HB1 LYS 51 -2.598 33.754 -4.584 408 HG2 LYS 51 HG2 LYS 51 -4.430 34.433 -2.284 409 HG3 LYS 51 HG1 LYS 51 -4.879 34.364 -3.994 410 HD2 LYS 51 HD2 LYS 51 -4.583 32.026 -4.090 411 HD3 LYS 51 HD1 LYS 51 -3.674 31.988 -2.578 412 HE2 LYS 51 HE2 LYS 51 -5.711 32.655 -1.371 413 HE3 LYS 51 HE1 LYS 51 -6.611 32.599 -2.886 414 HZ1 LYS 51 HZ1 LYS 51 -6.889 30.573 -1.592 415 HZ2 LYS 51 HZ2 LYS 51 -5.218 30.297 -1.628 416 HZ3 LYS 51 HZ3 LYS 51 -6.116 30.248 -3.060 417 H LYS 52 HN LYS 52 -0.155 31.728 -2.820 418 HA LYS 52 HA LYS 52 2.291 33.021 -2.854 419 HB2 LYS 52 HB2 LYS 52 2.014 30.608 -2.461 420 HB3 LYS 52 HB1 LYS 52 1.576 30.378 -4.148 421 HG2 LYS 52 HG2 LYS 52 3.881 29.722 -3.765 422 HG3 LYS 52 HG1 LYS 52 3.808 31.124 -4.834 423 HD2 LYS 52 HD2 LYS 52 4.291 32.589 -2.894 424 HD3 LYS 52 HD1 LYS 52 4.440 31.156 -1.874 425 HE2 LYS 52 HE2 LYS 52 6.635 31.938 -2.551 426 HE3 LYS 52 HE1 LYS 52 6.301 30.371 -3.285 427 HZ1 LYS 52 HZ1 LYS 52 7.305 31.904 -4.860 428 HZ2 LYS 52 HZ2 LYS 52 6.039 33.004 -4.639 429 HZ3 LYS 52 HZ3 LYS 52 5.736 31.497 -5.349 430 H SER 53 HN SER 53 0.164 32.184 -5.528 431 HA SER 53 HA SER 53 0.023 32.907 -7.667 432 HB2 SER 53 HB2 SER 53 1.997 35.056 -6.839 433 HB3 SER 53 HB1 SER 53 0.905 35.103 -8.226 434 HG SER 53 HG SER 53 0.015 34.861 -5.543 435 H LYS 54 HN LYS 54 1.993 30.917 -6.899 436 HA LYS 54 HA LYS 54 3.557 29.616 -7.915 437 HB2 LYS 54 HB2 LYS 54 3.028 31.492 -10.234 438 HB3 LYS 54 HB1 LYS 54 4.058 30.073 -10.351 439 HG2 LYS 54 HG2 LYS 54 1.138 30.005 -9.596 440 HG3 LYS 54 HG1 LYS 54 1.767 29.719 -11.222 441 HD2 LYS 54 HD2 LYS 54 3.097 27.822 -10.338 442 HD3 LYS 54 HD1 LYS 54 2.380 28.089 -8.748 443 HE2 LYS 54 HE2 LYS 54 0.161 27.628 -9.664 444 HE3 LYS 54 HE1 LYS 54 0.859 27.397 -11.265 445 HZ1 LYS 54 HZ1 LYS 54 2.000 25.465 -10.523 446 HZ2 LYS 54 HZ2 LYS 54 0.394 25.315 -10.012 447 HZ3 LYS 54 HZ3 LYS 54 1.592 25.755 -8.906 448 H SER 55 HN SER 55 5.649 30.227 -9.667 449 HA SER 55 HA SER 55 7.095 32.526 -8.636 450 HB2 SER 55 HB2 SER 55 7.648 30.672 -7.056 451 HB3 SER 55 HB1 SER 55 8.237 29.716 -8.415 452 HG SER 55 HG SER 55 9.797 31.387 -8.781 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 -11.771 11.438 -13.720 2 H2 MET 1 HT2 MET 1 -11.818 12.697 -14.843 3 H3 MET 1 HT3 MET 1 -12.202 11.124 -15.326 4 HA MET 1 HA MET 1 -14.189 12.419 -15.112 5 HB2 MET 1 HB2 MET 1 -13.870 10.404 -12.866 6 HB3 MET 1 HB1 MET 1 -15.405 10.991 -13.490 7 HG2 MET 1 HG2 MET 1 -14.833 10.035 -15.697 8 HG3 MET 1 HG1 MET 1 -13.358 9.371 -14.995 9 HE1 MET 1 HE1 MET 1 -15.437 6.130 -15.443 10 HE2 MET 1 HE2 MET 1 -13.884 6.926 -15.699 11 HE3 MET 1 HE3 MET 1 -15.321 7.505 -16.542 12 H GLN 2 HN GLN 2 -15.740 12.742 -12.826 13 HA GLN 2 HA GLN 2 -15.003 15.359 -12.140 14 HB2 GLN 2 HB2 GLN 2 -17.060 13.476 -11.010 15 HB3 GLN 2 HB1 GLN 2 -16.832 15.087 -10.345 16 HG2 GLN 2 HG2 GLN 2 -18.661 15.074 -11.932 17 HG3 GLN 2 HG1 GLN 2 -17.334 16.069 -12.532 18 HE21 GLN 2 HE21 GLN 2 -19.134 13.134 -12.950 19 HE22 GLN 2 HE22 GLN 2 -18.529 12.745 -14.524 20 H LYS 3 HN LYS 3 -14.417 16.296 -10.190 21 HA LYS 3 HA LYS 3 -12.228 15.022 -8.930 22 HB2 LYS 3 HB2 LYS 3 -12.425 17.467 -9.367 23 HB3 LYS 3 HB1 LYS 3 -13.678 17.558 -8.140 24 HG2 LYS 3 HG2 LYS 3 -12.019 16.777 -6.460 25 HG3 LYS 3 HG1 LYS 3 -10.776 16.855 -7.714 26 HD2 LYS 3 HD2 LYS 3 -11.349 19.272 -8.027 27 HD3 LYS 3 HD1 LYS 3 -12.437 19.142 -6.643 28 HE2 LYS 3 HE2 LYS 3 -10.336 20.076 -5.919 29 HE3 LYS 3 HE1 LYS 3 -10.517 18.457 -5.244 30 HZ1 LYS 3 HZ1 LYS 3 -8.281 18.864 -6.097 31 HZ2 LYS 3 HZ2 LYS 3 -8.903 19.131 -7.646 32 HZ3 LYS 3 HZ3 LYS 3 -9.038 17.605 -6.934 33 H ARG 4 HN ARG 4 -12.675 13.296 -7.641 34 HA ARG 4 HA ARG 4 -14.815 13.371 -5.698 35 HB2 ARG 4 HB2 ARG 4 -12.589 11.358 -6.126 36 HB3 ARG 4 HB1 ARG 4 -13.922 11.155 -4.994 37 HG2 ARG 4 HG2 ARG 4 -15.510 11.257 -6.886 38 HG3 ARG 4 HG1 ARG 4 -14.146 11.382 -7.996 39 HD2 ARG 4 HD2 ARG 4 -13.340 9.194 -7.271 40 HD3 ARG 4 HD1 ARG 4 -14.672 9.072 -6.120 41 HE ARG 4 HE ARG 4 -15.085 9.214 -9.046 42 HH11 ARG 4 HH11 ARG 4 -15.790 7.838 -5.910 43 HH12 ARG 4 HH12 ARG 4 -17.018 6.769 -6.507 44 HH21 ARG 4 HH21 ARG 4 -16.700 7.790 -9.854 45 HH22 ARG 4 HH22 ARG 4 -17.537 6.739 -8.756 46 H GLU 5 HN GLU 5 -13.869 15.443 -4.960 47 HA GLU 5 HA GLU 5 -12.461 15.054 -2.461 48 HB2 GLU 5 HB2 GLU 5 -10.606 15.323 -4.086 49 HB3 GLU 5 HB1 GLU 5 -11.314 16.823 -4.656 50 HG2 GLU 5 HG2 GLU 5 -9.473 17.353 -3.239 51 HG3 GLU 5 HG1 GLU 5 -10.953 17.795 -2.397 52 H LEU 6 HN LEU 6 -15.048 15.988 -3.736 53 HA LEU 6 HA LEU 6 -16.658 17.547 -3.460 54 HB2 LEU 6 HB2 LEU 6 -14.800 18.456 -1.262 55 HB3 LEU 6 HB1 LEU 6 -16.290 19.304 -1.619 56 HG LEU 6 HG LEU 6 -17.589 17.285 -1.084 57 HD11 LEU 6 HD11 LEU 6 -14.928 16.047 -0.373 58 HD12 LEU 6 HD12 LEU 6 -15.982 15.566 -1.704 59 HD13 LEU 6 HD13 LEU 6 -16.516 15.350 -0.037 60 HD21 LEU 6 HD21 LEU 6 -17.190 17.278 1.328 61 HD22 LEU 6 HD22 LEU 6 -17.130 18.913 0.670 62 HD23 LEU 6 HD23 LEU 6 -15.633 18.071 1.078 63 H TYR 7 HN TYR 7 -17.067 19.983 -3.632 64 HA TYR 7 HA TYR 7 -15.124 21.094 -5.552 65 HB2 TYR 7 HB2 TYR 7 -18.115 21.517 -5.300 66 HB3 TYR 7 HB1 TYR 7 -17.085 22.412 -6.412 67 HD1 TYR 7 HD2 TYR 7 -18.392 19.033 -5.610 68 HD2 TYR 7 HD1 TYR 7 -16.419 21.471 -8.492 69 HE1 TYR 7 HE2 TYR 7 -18.669 17.264 -7.293 70 HE2 TYR 7 HE1 TYR 7 -16.691 19.706 -10.176 71 HH TYR 7 HH TYR 7 -17.033 17.330 -10.303 72 H GLU 8 HN GLU 8 -14.282 23.079 -5.233 73 HA GLU 8 HA GLU 8 -14.922 24.454 -2.743 74 HB2 GLU 8 HB2 GLU 8 -12.730 24.901 -4.780 75 HB3 GLU 8 HB1 GLU 8 -12.947 25.876 -3.331 76 HG2 GLU 8 HG2 GLU 8 -12.301 22.935 -3.453 77 HG3 GLU 8 HG1 GLU 8 -11.227 24.241 -2.948 78 H ILE 9 HN ILE 9 -16.613 25.741 -2.850 79 HA ILE 9 HA ILE 9 -17.589 26.919 -5.255 80 HB ILE 9 HB ILE 9 -19.244 28.038 -3.818 81 HG12 ILE 9 HG12 ILE 9 -17.673 26.831 -1.511 82 HG13 ILE 9 HG11 ILE 9 -17.757 28.544 -1.905 83 HG21 ILE 9 HG21 ILE 9 -18.791 25.140 -3.094 84 HG22 ILE 9 HG22 ILE 9 -19.644 25.738 -4.517 85 HG23 ILE 9 HG23 ILE 9 -20.306 26.020 -2.908 86 HD11 ILE 9 HD11 ILE 9 -20.059 26.815 -1.026 87 HD12 ILE 9 HD12 ILE 9 -20.159 28.528 -1.438 88 HD13 ILE 9 HD13 ILE 9 -19.206 28.010 -0.048 89 H ALA 10 HN ALA 10 -15.366 27.907 -2.823 90 HA ALA 10 HA ALA 10 -15.601 30.736 -3.324 91 HB1 ALA 10 HB1 ALA 10 -13.731 30.956 -1.766 92 HB2 ALA 10 HB2 ALA 10 -13.515 29.205 -1.761 93 HB3 ALA 10 HB3 ALA 10 -14.989 29.913 -1.099 94 H ASP 11 HN ASP 11 -14.674 31.778 -4.952 95 HA ASP 11 HA ASP 11 -12.951 30.610 -6.840 96 HB2 ASP 11 HB2 ASP 11 -13.479 33.525 -6.203 97 HB3 ASP 11 HB1 ASP 11 -12.537 32.986 -7.588 98 H GLY 12 HN GLY 12 -10.958 29.917 -6.440 99 HA2 GLY 12 HA2 GLY 12 -9.302 30.934 -4.350 100 HA3 GLY 12 HA1 GLY 12 -8.822 29.793 -5.602 101 H LYS 13 HN LYS 13 -8.032 30.561 -7.575 102 HA LYS 13 HA LYS 13 -6.801 31.878 -8.943 103 HB2 LYS 13 HB2 LYS 13 -8.451 34.133 -7.770 104 HB3 LYS 13 HB1 LYS 13 -7.510 34.215 -9.251 105 HG2 LYS 13 HG2 LYS 13 -9.893 32.420 -8.787 106 HG3 LYS 13 HG1 LYS 13 -9.908 33.938 -9.683 107 HD2 LYS 13 HD2 LYS 13 -8.241 31.525 -10.421 108 HD3 LYS 13 HD1 LYS 13 -9.802 31.921 -11.138 109 HE2 LYS 13 HE2 LYS 13 -7.332 33.660 -11.241 110 HE3 LYS 13 HE1 LYS 13 -7.918 32.638 -12.549 111 HZ1 LYS 13 HZ1 LYS 13 -8.569 34.958 -12.831 112 HZ2 LYS 13 HZ2 LYS 13 -9.416 34.913 -11.368 113 HZ3 LYS 13 HZ3 LYS 13 -9.924 33.956 -12.664 114 H LEU 14 HN LEU 14 -5.339 33.930 -8.970 115 HA LEU 14 HA LEU 14 -4.031 34.210 -6.339 116 HB2 LEU 14 HB2 LEU 14 -2.743 34.254 -9.081 117 HB3 LEU 14 HB1 LEU 14 -1.905 34.526 -7.565 118 HG LEU 14 HG LEU 14 -3.236 31.935 -8.395 119 HD11 LEU 14 HD11 LEU 14 -0.961 31.054 -8.556 120 HD12 LEU 14 HD12 LEU 14 -0.308 32.653 -8.195 121 HD13 LEU 14 HD13 LEU 14 -1.216 32.387 -9.684 122 HD21 LEU 14 HD21 LEU 14 -1.591 32.591 -5.946 123 HD22 LEU 14 HD22 LEU 14 -2.182 30.989 -6.396 124 HD23 LEU 14 HD23 LEU 14 -3.324 32.266 -5.978 125 H VAL 15 HN VAL 15 -4.853 36.095 -5.646 126 HA VAL 15 HA VAL 15 -5.339 38.307 -7.442 127 HB VAL 15 HB VAL 15 -5.665 38.118 -4.435 128 HG11 VAL 15 HG11 VAL 15 -5.393 40.435 -5.154 129 HG12 VAL 15 HG12 VAL 15 -7.058 40.135 -4.654 130 HG13 VAL 15 HG13 VAL 15 -6.653 40.224 -6.369 131 HG21 VAL 15 HG21 VAL 15 -7.117 36.558 -5.629 132 HG22 VAL 15 HG22 VAL 15 -7.706 37.868 -6.654 133 HG23 VAL 15 HG23 VAL 15 -8.063 37.873 -4.927 134 H ARG 16 HN ARG 16 -3.755 39.625 -8.034 135 HA ARG 16 HA ARG 16 -1.470 40.073 -6.232 136 HB2 ARG 16 HB2 ARG 16 -1.805 40.553 -9.199 137 HB3 ARG 16 HB1 ARG 16 -0.392 41.062 -8.286 138 HG2 ARG 16 HG2 ARG 16 0.020 38.691 -7.686 139 HG3 ARG 16 HG1 ARG 16 -1.332 38.229 -8.725 140 HD2 ARG 16 HD2 ARG 16 -0.210 39.163 -10.659 141 HD3 ARG 16 HD1 ARG 16 1.102 39.764 -9.647 142 HE ARG 16 HE ARG 16 0.765 36.933 -9.428 143 HH11 ARG 16 HH11 ARG 16 2.172 39.472 -11.376 144 HH12 ARG 16 HH12 ARG 16 3.392 38.448 -12.063 145 HH21 ARG 16 HH21 ARG 16 2.379 35.574 -10.324 146 HH22 ARG 16 HH22 ARG 16 3.504 36.230 -11.470 147 H LYS 17 HN LYS 17 -4.132 41.679 -7.820 148 HA LYS 17 HA LYS 17 -3.171 44.336 -7.558 149 HB2 LYS 17 HB2 LYS 17 -4.956 43.785 -9.146 150 HB3 LYS 17 HB1 LYS 17 -6.022 43.338 -7.818 151 HG2 LYS 17 HG2 LYS 17 -5.990 45.645 -7.002 152 HG3 LYS 17 HG1 LYS 17 -4.894 46.099 -8.307 153 HD2 LYS 17 HD2 LYS 17 -6.621 45.503 -9.953 154 HD3 LYS 17 HD1 LYS 17 -7.717 45.064 -8.639 155 HE2 LYS 17 HE2 LYS 17 -7.657 47.362 -7.806 156 HE3 LYS 17 HE1 LYS 17 -6.520 47.808 -9.077 157 HZ1 LYS 17 HZ1 LYS 17 -9.320 46.906 -9.466 158 HZ2 LYS 17 HZ2 LYS 17 -8.233 47.247 -10.711 159 HZ3 LYS 17 HZ3 LYS 17 -8.735 48.479 -9.668 160 H HIS 18 HN HIS 18 -3.225 45.715 -5.915 161 HA HIS 18 HA HIS 18 -3.750 44.767 -3.287 162 HB2 HIS 18 HB2 HIS 18 -3.294 47.633 -4.163 163 HB3 HIS 18 HB1 HIS 18 -3.069 46.976 -2.544 164 HD1 HIS 18 HD1 HIS 18 -1.018 45.278 -2.258 165 HD2 HIS 18 HD2 HIS 18 -1.118 47.409 -5.825 166 HE1 HIS 18 HE1 HIS 18 1.266 45.006 -3.271 167 HE2 HIS 18 HE2 HIS 18 1.221 46.424 -5.351 168 H ARG 19 HN ARG 19 -5.731 44.412 -2.614 169 HA ARG 19 HA ARG 19 -8.063 45.371 -3.821 170 HB2 ARG 19 HB2 ARG 19 -7.703 44.156 -1.073 171 HB3 ARG 19 HB1 ARG 19 -9.241 44.344 -1.904 172 HG2 ARG 19 HG2 ARG 19 -8.493 42.831 -3.668 173 HG3 ARG 19 HG1 ARG 19 -6.927 42.663 -2.871 174 HD2 ARG 19 HD2 ARG 19 -8.429 40.761 -2.413 175 HD3 ARG 19 HD1 ARG 19 -7.982 41.632 -0.946 176 HE ARG 19 HE ARG 19 -10.195 42.683 -1.025 177 HH11 ARG 19 HH11 ARG 19 -9.725 39.737 -2.865 178 HH12 ARG 19 HH12 ARG 19 -11.410 39.330 -2.877 179 HH21 ARG 19 HH21 ARG 19 -12.396 42.146 -1.017 180 HH22 ARG 19 HH22 ARG 19 -12.938 40.714 -1.834 181 H PHE 20 HN PHE 20 -9.688 46.746 -3.102 182 HA PHE 20 HA PHE 20 -8.909 48.794 -1.127 183 HB2 PHE 20 HB2 PHE 20 -11.069 48.893 -3.263 184 HB3 PHE 20 HB1 PHE 20 -10.673 50.195 -2.149 185 HD1 PHE 20 HD1 PHE 20 -8.588 51.469 -2.407 186 HD2 PHE 20 HD2 PHE 20 -9.697 48.426 -5.176 187 HE1 PHE 20 HE1 PHE 20 -6.940 52.335 -4.017 188 HE2 PHE 20 HE2 PHE 20 -8.048 49.288 -6.785 189 HZ PHE 20 HZ PHE 20 -6.671 51.242 -6.209 190 H CYS 21 HN CYS 21 -11.158 49.714 -0.094 191 HA CYS 21 HA CYS 21 -12.356 47.354 1.153 192 HB2 CYS 21 HB2 CYS 21 -11.552 49.189 2.582 193 HB3 CYS 21 HB1 CYS 21 -12.693 50.286 1.807 194 HA PRO 22 HA PRO 22 -15.655 47.143 -1.770 195 HB2 PRO 22 HB2 PRO 22 -17.288 46.442 0.628 196 HB3 PRO 22 HB1 PRO 22 -17.152 45.612 -0.927 197 HG2 PRO 22 HG2 PRO 22 -15.912 44.744 1.301 198 HG3 PRO 22 HG1 PRO 22 -15.239 44.503 -0.319 199 HD2 PRO 22 HD2 PRO 22 -14.336 46.287 1.847 200 HD3 PRO 22 HD1 PRO 22 -13.440 45.679 0.444 201 H ARG 23 HN ARG 23 -16.554 48.551 1.395 202 HA ARG 23 HA ARG 23 -18.655 50.071 0.114 203 HB2 ARG 23 HB2 ARG 23 -17.862 50.129 3.028 204 HB3 ARG 23 HB1 ARG 23 -19.369 50.702 2.326 205 HG2 ARG 23 HG2 ARG 23 -19.443 48.131 1.519 206 HG3 ARG 23 HG1 ARG 23 -18.508 47.953 3.004 207 HD2 ARG 23 HD2 ARG 23 -20.795 47.662 3.585 208 HD3 ARG 23 HD1 ARG 23 -20.324 49.258 4.174 209 HE ARG 23 HE ARG 23 -21.430 49.385 1.554 210 HH11 ARG 23 HH11 ARG 23 -22.318 49.139 4.931 211 HH12 ARG 23 HH12 ARG 23 -23.906 49.787 4.685 212 HH21 ARG 23 HH21 ARG 23 -23.516 50.221 1.227 213 HH22 ARG 23 HH22 ARG 23 -24.593 50.408 2.575 214 H CYS 24 HN CYS 24 -15.842 50.887 2.185 215 HA CYS 24 HA CYS 24 -16.150 53.702 1.758 216 HB2 CYS 24 HB2 CYS 24 -13.561 52.487 2.691 217 HB3 CYS 24 HB1 CYS 24 -14.294 54.014 3.152 218 H GLY 25 HN GLY 25 -15.106 51.409 -0.361 219 HA2 GLY 25 HA2 GLY 25 -12.631 51.842 -1.305 220 HA3 GLY 25 HA1 GLY 25 -13.978 51.516 -2.373 221 HA PRO 26 HA PRO 26 -13.671 55.515 -4.226 222 HB2 PRO 26 HB2 PRO 26 -16.151 56.669 -3.975 223 HB3 PRO 26 HB1 PRO 26 -15.779 55.388 -5.133 224 HG2 PRO 26 HG2 PRO 26 -17.076 55.180 -2.435 225 HG3 PRO 26 HG1 PRO 26 -17.522 54.380 -3.956 226 HD2 PRO 26 HD2 PRO 26 -16.145 53.094 -2.034 227 HD3 PRO 26 HD1 PRO 26 -15.843 52.789 -3.757 228 H GLY 27 HN GLY 27 -12.196 56.114 -2.431 229 HA2 GLY 27 HA2 GLY 27 -11.950 58.519 -1.635 230 HA3 GLY 27 HA1 GLY 27 -13.361 58.167 -0.648 231 H VAL 28 HN VAL 28 -12.282 55.339 -0.264 232 HA VAL 28 HA VAL 28 -10.088 55.964 1.611 233 HB VAL 28 HB VAL 28 -12.376 54.112 2.323 234 HG11 VAL 28 HG11 VAL 28 -11.463 54.303 4.612 235 HG12 VAL 28 HG12 VAL 28 -10.136 55.284 3.987 236 HG13 VAL 28 HG13 VAL 28 -10.307 53.603 3.478 237 HG21 VAL 28 HG21 VAL 28 -13.188 55.863 3.847 238 HG22 VAL 28 HG22 VAL 28 -13.256 56.391 2.164 239 HG23 VAL 28 HG23 VAL 28 -11.972 56.977 3.221 240 H PHE 29 HN PHE 29 -8.457 54.884 0.686 241 HA PHE 29 HA PHE 29 -8.598 52.413 -0.650 242 HB2 PHE 29 HB2 PHE 29 -6.147 52.325 -0.316 243 HB3 PHE 29 HB1 PHE 29 -6.666 53.912 -0.870 244 HD1 PHE 29 HD1 PHE 29 -6.642 55.835 0.664 245 HD2 PHE 29 HD2 PHE 29 -5.169 52.019 1.869 246 HE1 PHE 29 HE1 PHE 29 -5.492 56.880 2.569 247 HE2 PHE 29 HE2 PHE 29 -4.019 53.066 3.775 248 HZ PHE 29 HZ PHE 29 -4.180 55.498 4.127 249 H LEU 30 HN LEU 30 -7.326 50.447 0.195 250 HA LEU 30 HA LEU 30 -8.254 49.808 2.916 251 HB2 LEU 30 HB2 LEU 30 -8.986 48.363 1.005 252 HB3 LEU 30 HB1 LEU 30 -7.308 47.942 0.731 253 HG LEU 30 HG LEU 30 -7.218 46.895 2.977 254 HD11 LEU 30 HD11 LEU 30 -8.944 48.230 4.078 255 HD12 LEU 30 HD12 LEU 30 -9.286 46.505 4.219 256 HD13 LEU 30 HD13 LEU 30 -10.178 47.490 3.057 257 HD21 LEU 30 HD21 LEU 30 -7.720 45.529 1.011 258 HD22 LEU 30 HD22 LEU 30 -9.440 45.872 1.197 259 HD23 LEU 30 HD23 LEU 30 -8.588 44.938 2.428 260 H ALA 31 HN ALA 31 -6.762 49.921 4.466 261 HA ALA 31 HA ALA 31 -4.028 50.424 3.943 262 HB1 ALA 31 HB1 ALA 31 -3.732 50.335 6.365 263 HB2 ALA 31 HB2 ALA 31 -5.339 49.629 6.547 264 HB3 ALA 31 HB3 ALA 31 -5.163 51.275 5.941 265 H GLU 32 HN GLU 32 -3.244 48.753 2.706 266 HA GLU 32 HA GLU 32 -3.384 46.015 3.521 267 HB2 GLU 32 HB2 GLU 32 -3.224 46.580 1.161 268 HB3 GLU 32 HB1 GLU 32 -1.692 47.402 1.427 269 HG2 GLU 32 HG2 GLU 32 -0.709 45.222 2.122 270 HG3 GLU 32 HG1 GLU 32 -2.231 44.445 1.689 271 H HIS 33 HN HIS 33 -2.012 44.883 4.735 272 HA HIS 33 HA HIS 33 0.701 45.914 5.233 273 HB2 HIS 33 HB2 HIS 33 -1.028 44.576 7.346 274 HB3 HIS 33 HB1 HIS 33 0.589 45.238 7.568 275 HD1 HIS 33 HD1 HIS 33 0.777 47.890 7.534 276 HD2 HIS 33 HD2 HIS 33 -3.093 46.375 7.636 277 HE1 HIS 33 HE1 HIS 33 -0.686 49.821 8.193 278 HE2 HIS 33 HE2 HIS 33 -2.990 48.837 8.421 279 H ALA 34 HN ALA 34 2.249 44.224 5.636 280 HA ALA 34 HA ALA 34 2.046 42.068 3.896 281 HB1 ALA 34 HB1 ALA 34 4.175 42.984 4.688 282 HB2 ALA 34 HB2 ALA 34 4.102 41.238 4.918 283 HB3 ALA 34 HB3 ALA 34 3.867 42.319 6.291 284 H ASP 35 HN ASP 35 0.976 42.333 7.183 285 HA ASP 35 HA ASP 35 0.675 39.448 7.495 286 HB2 ASP 35 HB2 ASP 35 1.517 40.725 9.402 287 HB3 ASP 35 HB1 ASP 35 0.069 41.725 9.397 288 H ARG 36 HN ARG 36 -1.290 42.301 6.894 289 HA ARG 36 HA ARG 36 -3.564 40.822 6.103 290 HB2 ARG 36 HB2 ARG 36 -5.113 41.326 7.914 291 HB3 ARG 36 HB1 ARG 36 -3.752 40.404 8.547 292 HG2 ARG 36 HG2 ARG 36 -2.740 42.548 9.317 293 HG3 ARG 36 HG1 ARG 36 -4.202 43.383 8.791 294 HD2 ARG 36 HD2 ARG 36 -4.392 43.007 11.139 295 HD3 ARG 36 HD1 ARG 36 -5.503 41.896 10.336 296 HE ARG 36 HE ARG 36 -3.209 40.452 10.630 297 HH11 ARG 36 HH11 ARG 36 -5.277 42.213 12.837 298 HH12 ARG 36 HH12 ARG 36 -4.897 41.203 14.193 299 HH21 ARG 36 HH21 ARG 36 -2.692 39.131 12.407 300 HH22 ARG 36 HH22 ARG 36 -3.433 39.437 13.948 301 H TYR 37 HN TYR 37 -5.490 42.261 5.828 302 HA TYR 37 HA TYR 37 -4.728 44.986 5.079 303 HB2 TYR 37 HB2 TYR 37 -7.288 43.458 4.492 304 HB3 TYR 37 HB1 TYR 37 -6.830 45.018 3.822 305 HD1 TYR 37 HD1 TYR 37 -6.158 41.396 3.736 306 HD2 TYR 37 HD2 TYR 37 -5.287 45.174 1.972 307 HE1 TYR 37 HE1 TYR 37 -5.117 40.258 1.827 308 HE2 TYR 37 HE2 TYR 37 -4.240 44.040 0.056 309 HH TYR 37 HH TYR 37 -4.565 40.684 -0.505 310 H SER 38 HN SER 38 -5.921 46.774 5.869 311 HA SER 38 HA SER 38 -7.917 46.289 7.950 312 HB2 SER 38 HB2 SER 38 -5.740 46.500 9.124 313 HB3 SER 38 HB1 SER 38 -5.494 48.071 8.360 314 HG SER 38 HG SER 38 -6.554 47.776 10.619 315 H CYS 39 HN CYS 39 -9.099 48.302 8.508 316 HA CYS 39 HA CYS 39 -8.903 50.452 6.528 317 HB2 CYS 39 HB2 CYS 39 -10.492 48.893 5.527 318 HB3 CYS 39 HB1 CYS 39 -11.426 48.853 7.004 319 H GLY 40 HN GLY 40 -8.941 52.317 7.665 320 HA2 GLY 40 HA2 GLY 40 -10.333 52.694 10.115 321 HA3 GLY 40 HA1 GLY 40 -9.835 53.967 8.999 322 H ARG 41 HN ARG 41 -12.177 54.453 10.092 323 HA ARG 41 HA ARG 41 -14.210 55.219 9.479 324 HB2 ARG 41 HB2 ARG 41 -13.659 53.829 6.847 325 HB3 ARG 41 HB1 ARG 41 -15.109 54.766 7.176 326 HG2 ARG 41 HG2 ARG 41 -12.284 55.829 7.213 327 HG3 ARG 41 HG1 ARG 41 -13.460 56.056 5.916 328 HD2 ARG 41 HD2 ARG 41 -14.932 57.262 7.462 329 HD3 ARG 41 HD1 ARG 41 -13.762 57.025 8.761 330 HE ARG 41 HE ARG 41 -12.248 58.293 7.003 331 HH11 ARG 41 HH11 ARG 41 -15.554 58.965 7.937 332 HH12 ARG 41 HH12 ARG 41 -15.416 60.675 7.696 333 HH21 ARG 41 HH21 ARG 41 -12.055 60.548 6.690 334 HH22 ARG 41 HH22 ARG 41 -13.421 61.579 6.982 335 H CYS 42 HN CYS 42 -13.751 51.804 8.379 336 HA CYS 42 HA CYS 42 -16.237 51.254 9.864 337 HB2 CYS 42 HB2 CYS 42 -16.988 49.706 8.235 338 HB3 CYS 42 HB1 CYS 42 -16.464 51.124 7.335 339 H GLY 43 HN GLY 43 -12.947 50.565 9.658 340 HA2 GLY 43 HA2 GLY 43 -11.672 49.191 10.995 341 HA3 GLY 43 HA1 GLY 43 -13.147 48.697 11.812 342 H TYR 44 HN TYR 44 -13.035 48.325 8.396 343 HA TYR 44 HA TYR 44 -13.421 45.540 8.476 344 HB2 TYR 44 HB2 TYR 44 -14.184 46.890 6.577 345 HB3 TYR 44 HB1 TYR 44 -12.521 47.296 6.169 346 HD1 TYR 44 HD1 TYR 44 -14.798 44.353 6.545 347 HD2 TYR 44 HD2 TYR 44 -11.377 45.981 4.596 348 HE1 TYR 44 HE1 TYR 44 -14.698 42.382 5.077 349 HE2 TYR 44 HE2 TYR 44 -11.266 44.009 3.132 350 HH TYR 44 HH TYR 44 -11.993 41.707 3.069 351 H THR 45 HN THR 45 -12.026 43.956 8.755 352 HA THR 45 HA THR 45 -9.189 44.362 8.074 353 HB THR 45 HB THR 45 -10.261 42.863 10.490 354 HG1 THR 45 HG1 THR 45 -10.180 45.271 10.514 355 HG21 THR 45 HG21 THR 45 -8.246 41.805 9.565 356 HG22 THR 45 HG22 THR 45 -7.903 42.576 11.112 357 HG23 THR 45 HG23 THR 45 -7.406 43.356 9.610 358 H GLU 46 HN GLU 46 -8.279 42.751 6.919 359 HA GLU 46 HA GLU 46 -9.660 40.172 6.647 360 HB2 GLU 46 HB2 GLU 46 -10.428 41.555 4.763 361 HB3 GLU 46 HB1 GLU 46 -8.763 41.924 4.333 362 HG2 GLU 46 HG2 GLU 46 -8.382 39.524 3.873 363 HG3 GLU 46 HG1 GLU 46 -10.082 39.213 4.219 364 H PHE 47 HN PHE 47 -8.156 38.695 7.210 365 HA PHE 47 HA PHE 47 -5.420 39.232 7.446 366 HB2 PHE 47 HB2 PHE 47 -6.858 36.588 7.218 367 HB3 PHE 47 HB1 PHE 47 -5.156 36.741 7.630 368 HD1 PHE 47 HD2 PHE 47 -4.597 38.224 9.672 369 HD2 PHE 47 HD1 PHE 47 -8.462 36.597 8.910 370 HE1 PHE 47 HE2 PHE 47 -5.182 38.493 12.052 371 HE2 PHE 47 HE1 PHE 47 -9.051 36.873 11.283 372 HZ PHE 47 HZ PHE 47 -7.408 37.817 12.859 373 H LYS 48 HN LYS 48 -3.627 38.682 6.213 374 HA LYS 48 HA LYS 48 -3.920 38.871 3.402 375 HB2 LYS 48 HB2 LYS 48 -1.665 38.525 5.297 376 HB3 LYS 48 HB1 LYS 48 -1.375 37.917 3.677 377 HG2 LYS 48 HG2 LYS 48 -2.311 40.721 4.256 378 HG3 LYS 48 HG1 LYS 48 -0.615 40.263 4.088 379 HD2 LYS 48 HD2 LYS 48 -1.119 39.406 1.807 380 HD3 LYS 48 HD1 LYS 48 -2.772 40.000 1.985 381 HE2 LYS 48 HE2 LYS 48 -1.937 42.284 2.228 382 HE3 LYS 48 HE1 LYS 48 -0.277 41.702 2.106 383 HZ1 LYS 48 HZ1 LYS 48 -0.711 40.973 -0.137 384 HZ2 LYS 48 HZ2 LYS 48 -1.104 42.611 0.008 385 HZ3 LYS 48 HZ3 LYS 48 -2.331 41.448 -0.025 386 H LYS 49 HN LYS 49 -5.295 37.201 2.716 387 HA LYS 49 HA LYS 49 -4.614 34.453 3.123 388 HB2 LYS 49 HB2 LYS 49 -6.939 35.094 2.657 389 HB3 LYS 49 HB1 LYS 49 -6.467 35.693 1.069 390 HG2 LYS 49 HG2 LYS 49 -5.779 33.432 0.418 391 HG3 LYS 49 HG1 LYS 49 -6.251 32.828 2.005 392 HD2 LYS 49 HD2 LYS 49 -8.578 33.474 1.551 393 HD3 LYS 49 HD1 LYS 49 -8.098 34.077 -0.040 394 HE2 LYS 49 HE2 LYS 49 -7.371 31.832 -0.683 395 HE3 LYS 49 HE1 LYS 49 -7.798 31.221 0.915 396 HZ1 LYS 49 HZ1 LYS 49 -10.110 31.875 0.444 397 HZ2 LYS 49 HZ2 LYS 49 -9.530 30.696 -0.617 398 HZ3 LYS 49 HZ3 LYS 49 -9.659 32.302 -1.128 399 H ALA 50 HN ALA 50 -2.957 33.499 2.242 400 HA ALA 50 HA ALA 50 -2.423 33.730 -0.588 401 HB1 ALA 50 HB1 ALA 50 -0.048 34.276 -0.327 402 HB2 ALA 50 HB2 ALA 50 -0.269 34.444 1.415 403 HB3 ALA 50 HB3 ALA 50 -1.067 35.565 0.313 404 H LYS 51 HN LYS 51 -3.032 31.559 -0.635 405 HA LYS 51 HA LYS 51 -1.936 29.538 1.005 406 HB2 LYS 51 HB2 LYS 51 -4.013 29.426 -0.508 407 HB3 LYS 51 HB1 LYS 51 -2.902 29.150 -1.836 408 HG2 LYS 51 HG2 LYS 51 -3.424 26.993 -1.334 409 HG3 LYS 51 HG1 LYS 51 -2.043 27.200 -0.260 410 HD2 LYS 51 HD2 LYS 51 -4.902 27.646 0.614 411 HD3 LYS 51 HD1 LYS 51 -4.087 26.090 0.748 412 HE2 LYS 51 HE2 LYS 51 -3.103 28.646 2.021 413 HE3 LYS 51 HE1 LYS 51 -4.077 27.434 2.847 414 HZ1 LYS 51 HZ1 LYS 51 -1.404 26.934 1.645 415 HZ2 LYS 51 HZ2 LYS 51 -2.336 25.823 2.515 416 HZ3 LYS 51 HZ3 LYS 51 -1.702 27.185 3.290 417 H LYS 52 HN LYS 52 -0.976 31.001 -2.029 418 HA LYS 52 HA LYS 52 1.633 29.633 -1.882 419 HB2 LYS 52 HB2 LYS 52 0.328 31.215 -4.121 420 HB3 LYS 52 HB1 LYS 52 1.975 30.604 -4.182 421 HG2 LYS 52 HG2 LYS 52 -0.487 28.881 -3.890 422 HG3 LYS 52 HG1 LYS 52 0.353 29.200 -5.411 423 HD2 LYS 52 HD2 LYS 52 2.391 28.170 -4.499 424 HD3 LYS 52 HD1 LYS 52 1.550 27.855 -2.979 425 HE2 LYS 52 HE2 LYS 52 -0.047 26.416 -4.171 426 HE3 LYS 52 HE1 LYS 52 0.806 26.728 -5.683 427 HZ1 LYS 52 HZ1 LYS 52 2.736 25.635 -4.830 428 HZ2 LYS 52 HZ2 LYS 52 1.411 24.605 -4.627 429 HZ3 LYS 52 HZ3 LYS 52 2.032 25.451 -3.303 430 H SER 53 HN SER 53 3.488 30.833 -1.593 431 HA SER 53 HA SER 53 3.322 33.747 -1.503 432 HB2 SER 53 HB2 SER 53 4.410 32.107 0.810 433 HB3 SER 53 HB1 SER 53 4.339 33.868 0.713 434 HG SER 53 HG SER 53 1.919 33.267 0.313 435 H LYS 54 HN LYS 54 4.925 34.435 -2.768 436 HA LYS 54 HA LYS 54 7.075 32.744 -3.540 437 HB2 LYS 54 HB2 LYS 54 7.932 34.738 -4.753 438 HB3 LYS 54 HB1 LYS 54 6.254 34.364 -5.115 439 HG2 LYS 54 HG2 LYS 54 5.530 36.159 -3.607 440 HG3 LYS 54 HG1 LYS 54 7.215 36.538 -3.255 441 HD2 LYS 54 HD2 LYS 54 5.965 36.665 -6.007 442 HD3 LYS 54 HD1 LYS 54 6.166 38.052 -4.939 443 HE2 LYS 54 HE2 LYS 54 7.974 38.125 -6.467 444 HE3 LYS 54 HE1 LYS 54 8.646 37.549 -4.945 445 HZ1 LYS 54 HZ1 LYS 54 8.687 35.326 -5.789 446 HZ2 LYS 54 HZ2 LYS 54 9.433 36.326 -6.925 447 HZ3 LYS 54 HZ3 LYS 54 7.858 35.774 -7.194 448 H SER 55 HN SER 55 8.157 32.127 -1.707 449 HA SER 55 HA SER 55 9.363 34.109 0.037 450 HB2 SER 55 HB2 SER 55 9.629 31.085 0.084 451 HB3 SER 55 HB1 SER 55 10.065 32.201 1.379 452 HG SER 55 HG SER 55 7.883 32.715 1.626 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -23.137 50.148 -41.232 2 H2 MET 1 HT2 MET 1 -22.651 49.101 -40.002 3 H3 MET 1 HT3 MET 1 -21.517 49.673 -41.119 4 HA MET 1 HA MET 1 -21.807 51.916 -40.327 5 HB2 MET 1 HB2 MET 1 -23.114 52.343 -38.298 6 HB3 MET 1 HB1 MET 1 -24.134 51.707 -39.580 7 HG2 MET 1 HG2 MET 1 -23.075 50.186 -37.206 8 HG3 MET 1 HG1 MET 1 -24.733 50.722 -37.464 9 HE1 MET 1 HE1 MET 1 -25.114 46.857 -37.842 10 HE2 MET 1 HE2 MET 1 -25.752 48.314 -37.078 11 HE3 MET 1 HE3 MET 1 -24.126 47.749 -36.688 12 H GLN 2 HN GLN 2 -20.306 52.680 -38.845 13 HA GLN 2 HA GLN 2 -18.659 50.589 -37.602 14 HB2 GLN 2 HB2 GLN 2 -18.098 53.448 -38.396 15 HB3 GLN 2 HB1 GLN 2 -17.006 52.547 -37.358 16 HG2 GLN 2 HG2 GLN 2 -16.206 52.481 -39.623 17 HG3 GLN 2 HG1 GLN 2 -16.722 50.869 -39.135 18 HE21 GLN 2 HE21 GLN 2 -18.507 49.948 -40.115 19 HE22 GLN 2 HE22 GLN 2 -19.213 50.596 -41.556 20 H LYS 3 HN LYS 3 -18.989 50.204 -35.521 21 HA LYS 3 HA LYS 3 -20.424 51.932 -33.795 22 HB2 LYS 3 HB2 LYS 3 -19.735 50.376 -31.989 23 HB3 LYS 3 HB1 LYS 3 -20.430 49.552 -33.377 24 HG2 LYS 3 HG2 LYS 3 -18.277 48.802 -34.104 25 HG3 LYS 3 HG1 LYS 3 -17.462 49.814 -32.909 26 HD2 LYS 3 HD2 LYS 3 -17.559 47.425 -32.249 27 HD3 LYS 3 HD1 LYS 3 -18.368 48.489 -31.099 28 HE2 LYS 3 HE2 LYS 3 -20.539 47.910 -32.148 29 HE3 LYS 3 HE1 LYS 3 -19.695 46.791 -33.219 30 HZ1 LYS 3 HZ1 LYS 3 -19.033 45.484 -31.344 31 HZ2 LYS 3 HZ2 LYS 3 -20.704 45.716 -31.262 32 HZ3 LYS 3 HZ3 LYS 3 -19.678 46.606 -30.256 33 H ARG 4 HN ARG 4 -19.716 53.202 -32.072 34 HA ARG 4 HA ARG 4 -17.079 54.370 -32.485 35 HB2 ARG 4 HB2 ARG 4 -19.328 55.209 -30.629 36 HB3 ARG 4 HB1 ARG 4 -17.871 56.139 -30.970 37 HG2 ARG 4 HG2 ARG 4 -20.013 55.403 -32.968 38 HG3 ARG 4 HG1 ARG 4 -19.773 56.991 -32.234 39 HD2 ARG 4 HD2 ARG 4 -17.653 57.250 -33.323 40 HD3 ARG 4 HD1 ARG 4 -17.681 55.582 -33.892 41 HE ARG 4 HE ARG 4 -19.263 56.165 -35.517 42 HH11 ARG 4 HH11 ARG 4 -18.385 58.923 -33.546 43 HH12 ARG 4 HH12 ARG 4 -18.965 60.085 -34.696 44 HH21 ARG 4 HH21 ARG 4 -20.004 57.679 -37.039 45 HH22 ARG 4 HH22 ARG 4 -19.896 59.380 -36.686 46 H GLU 5 HN GLU 5 -15.369 53.911 -31.288 47 HA GLU 5 HA GLU 5 -15.657 52.036 -29.088 48 HB2 GLU 5 HB2 GLU 5 -13.306 53.028 -30.693 49 HB3 GLU 5 HB1 GLU 5 -13.083 52.082 -29.227 50 HG2 GLU 5 HG2 GLU 5 -14.614 51.200 -31.670 51 HG3 GLU 5 HG1 GLU 5 -12.977 50.700 -31.237 52 H LEU 6 HN LEU 6 -13.450 54.798 -29.500 53 HA LEU 6 HA LEU 6 -12.549 56.254 -28.025 54 HB2 LEU 6 HB2 LEU 6 -14.892 56.878 -27.481 55 HB3 LEU 6 HB1 LEU 6 -14.925 55.625 -26.256 56 HG LEU 6 HG LEU 6 -13.152 56.812 -25.002 57 HD11 LEU 6 HD11 LEU 6 -12.531 59.096 -25.635 58 HD12 LEU 6 HD12 LEU 6 -13.459 58.937 -27.126 59 HD13 LEU 6 HD13 LEU 6 -12.039 57.924 -26.856 60 HD21 LEU 6 HD21 LEU 6 -14.536 58.684 -24.233 61 HD22 LEU 6 HD22 LEU 6 -15.498 57.225 -24.461 62 HD23 LEU 6 HD23 LEU 6 -15.562 58.518 -25.659 63 H TYR 7 HN TYR 7 -11.208 56.235 -26.131 64 HA TYR 7 HA TYR 7 -10.158 53.623 -25.686 65 HB2 TYR 7 HB2 TYR 7 -9.379 56.302 -24.507 66 HB3 TYR 7 HB1 TYR 7 -8.467 54.807 -24.285 67 HD1 TYR 7 HD1 TYR 7 -9.471 57.386 -26.723 68 HD2 TYR 7 HD2 TYR 7 -7.131 53.880 -26.086 69 HE1 TYR 7 HE1 TYR 7 -8.315 57.771 -28.857 70 HE2 TYR 7 HE2 TYR 7 -5.963 54.270 -28.214 71 HH TYR 7 HH TYR 7 -6.311 55.405 -30.309 72 H GLU 8 HN GLU 8 -11.704 52.452 -24.652 73 HA GLU 8 HA GLU 8 -12.822 53.200 -22.119 74 HB2 GLU 8 HB2 GLU 8 -12.775 50.604 -23.670 75 HB3 GLU 8 HB1 GLU 8 -13.599 50.787 -22.128 76 HG2 GLU 8 HG2 GLU 8 -14.212 52.476 -24.546 77 HG3 GLU 8 HG1 GLU 8 -15.051 50.972 -24.165 78 H ILE 9 HN ILE 9 -12.166 52.659 -20.120 79 HA ILE 9 HA ILE 9 -10.903 51.926 -18.395 80 HB ILE 9 HB ILE 9 -9.879 49.820 -20.320 81 HG12 ILE 9 HG12 ILE 9 -12.309 49.682 -20.024 82 HG13 ILE 9 HG11 ILE 9 -11.518 48.326 -19.231 83 HG21 ILE 9 HG21 ILE 9 -9.234 48.572 -18.300 84 HG22 ILE 9 HG22 ILE 9 -9.712 49.948 -17.306 85 HG23 ILE 9 HG23 ILE 9 -8.367 50.101 -18.438 86 HD11 ILE 9 HD11 ILE 9 -11.776 49.448 -17.071 87 HD12 ILE 9 HD12 ILE 9 -13.326 49.199 -17.877 88 HD13 ILE 9 HD13 ILE 9 -12.581 50.797 -17.875 89 H ALA 10 HN ALA 10 -9.535 53.517 -17.957 90 HA ALA 10 HA ALA 10 -7.498 54.506 -19.589 91 HB1 ALA 10 HB1 ALA 10 -6.706 55.689 -17.606 92 HB2 ALA 10 HB2 ALA 10 -7.706 54.658 -16.580 93 HB3 ALA 10 HB3 ALA 10 -8.464 55.762 -17.725 94 H ASP 11 HN ASP 11 -5.194 54.472 -19.221 95 HA ASP 11 HA ASP 11 -4.041 51.943 -19.249 96 HB2 ASP 11 HB2 ASP 11 -1.866 53.186 -18.958 97 HB3 ASP 11 HB1 ASP 11 -2.889 53.789 -20.258 98 H GLY 12 HN GLY 12 -2.889 50.728 -17.757 99 HA2 GLY 12 HA2 GLY 12 -3.789 51.153 -15.002 100 HA3 GLY 12 HA1 GLY 12 -3.174 49.655 -15.678 101 H LYS 13 HN LYS 13 -2.052 52.975 -15.001 102 HA LYS 13 HA LYS 13 0.680 52.294 -14.796 103 HB2 LYS 13 HB2 LYS 13 -0.889 54.645 -13.738 104 HB3 LYS 13 HB1 LYS 13 0.851 54.504 -13.541 105 HG2 LYS 13 HG2 LYS 13 -0.581 54.533 -16.192 106 HG3 LYS 13 HG1 LYS 13 0.181 55.934 -15.439 107 HD2 LYS 13 HD2 LYS 13 2.345 54.686 -15.460 108 HD3 LYS 13 HD1 LYS 13 1.544 53.395 -16.358 109 HE2 LYS 13 HE2 LYS 13 1.075 54.910 -18.188 110 HE3 LYS 13 HE1 LYS 13 1.736 56.267 -17.276 111 HZ1 LYS 13 HZ1 LYS 13 3.896 55.145 -17.299 112 HZ2 LYS 13 HZ2 LYS 13 3.339 55.471 -18.860 113 HZ3 LYS 13 HZ3 LYS 13 3.246 53.906 -18.245 114 H LEU 14 HN LEU 14 0.969 50.529 -13.455 115 HA LEU 14 HA LEU 14 1.684 49.559 -11.535 116 HB2 LEU 14 HB2 LEU 14 1.442 52.343 -10.386 117 HB3 LEU 14 HB1 LEU 14 2.306 51.007 -9.646 118 HG LEU 14 HG LEU 14 3.032 52.289 -12.291 119 HD11 LEU 14 HD11 LEU 14 4.945 53.222 -11.085 120 HD12 LEU 14 HD12 LEU 14 4.324 52.555 -9.575 121 HD13 LEU 14 HD13 LEU 14 3.420 53.807 -10.427 122 HD21 LEU 14 HD21 LEU 14 3.667 49.939 -12.202 123 HD22 LEU 14 HD22 LEU 14 4.462 50.194 -10.649 124 HD23 LEU 14 HD23 LEU 14 5.094 50.970 -12.101 125 H VAL 15 HN VAL 15 -1.358 50.374 -11.981 126 HA VAL 15 HA VAL 15 -2.368 50.185 -9.265 127 HB VAL 15 HB VAL 15 -4.601 50.366 -10.272 128 HG11 VAL 15 HG11 VAL 15 -3.349 52.413 -9.784 129 HG12 VAL 15 HG12 VAL 15 -4.385 52.623 -11.196 130 HG13 VAL 15 HG13 VAL 15 -2.649 52.379 -11.405 131 HG21 VAL 15 HG21 VAL 15 -3.139 50.335 -12.920 132 HG22 VAL 15 HG22 VAL 15 -4.850 50.709 -12.705 133 HG23 VAL 15 HG23 VAL 15 -4.245 49.097 -12.319 134 H ARG 16 HN ARG 16 -0.856 47.952 -10.083 135 HA ARG 16 HA ARG 16 -2.163 45.787 -11.184 136 HB2 ARG 16 HB2 ARG 16 0.237 45.838 -10.656 137 HB3 ARG 16 HB1 ARG 16 -0.133 45.787 -8.939 138 HG2 ARG 16 HG2 ARG 16 -1.149 43.562 -9.239 139 HG3 ARG 16 HG1 ARG 16 -0.720 43.616 -10.951 140 HD2 ARG 16 HD2 ARG 16 1.181 43.653 -8.605 141 HD3 ARG 16 HD1 ARG 16 0.931 42.329 -9.744 142 HE ARG 16 HE ARG 16 1.661 44.491 -11.282 143 HH11 ARG 16 HH11 ARG 16 3.100 42.685 -8.645 144 HH12 ARG 16 HH12 ARG 16 4.726 42.969 -9.183 145 HH21 ARG 16 HH21 ARG 16 3.793 44.873 -11.972 146 HH22 ARG 16 HH22 ARG 16 5.119 44.216 -11.065 147 H LYS 17 HN LYS 17 -2.212 46.928 -7.841 148 HA LYS 17 HA LYS 17 -4.517 45.181 -7.325 149 HB2 LYS 17 HB2 LYS 17 -2.394 44.169 -6.413 150 HB3 LYS 17 HB1 LYS 17 -2.242 45.568 -5.362 151 HG2 LYS 17 HG2 LYS 17 -4.320 44.990 -4.243 152 HG3 LYS 17 HG1 LYS 17 -4.559 43.635 -5.350 153 HD2 LYS 17 HD2 LYS 17 -2.419 42.660 -4.541 154 HD3 LYS 17 HD1 LYS 17 -2.308 43.967 -3.360 155 HE2 LYS 17 HE2 LYS 17 -4.412 43.229 -2.346 156 HE3 LYS 17 HE1 LYS 17 -4.535 41.930 -3.535 157 HZ1 LYS 17 HZ1 LYS 17 -3.643 41.078 -1.498 158 HZ2 LYS 17 HZ2 LYS 17 -2.426 42.248 -1.474 159 HZ3 LYS 17 HZ3 LYS 17 -2.425 41.051 -2.667 160 H HIS 18 HN HIS 18 -5.856 46.956 -7.528 161 HA HIS 18 HA HIS 18 -5.474 49.142 -5.580 162 HB2 HIS 18 HB2 HIS 18 -6.650 50.615 -7.158 163 HB3 HIS 18 HB1 HIS 18 -5.225 49.907 -7.905 164 HD1 HIS 18 HD1 HIS 18 -5.671 48.014 -9.704 165 HD2 HIS 18 HD2 HIS 18 -9.037 50.079 -8.423 166 HE1 HIS 18 HE1 HIS 18 -7.447 47.516 -11.403 167 HE2 HIS 18 HE2 HIS 18 -9.408 48.934 -10.711 168 H ARG 19 HN ARG 19 -6.806 46.643 -5.062 169 HA ARG 19 HA ARG 19 -9.617 46.913 -5.207 170 HB2 ARG 19 HB2 ARG 19 -7.896 45.284 -3.323 171 HB3 ARG 19 HB1 ARG 19 -9.649 45.170 -3.400 172 HG2 ARG 19 HG2 ARG 19 -9.428 44.518 -5.805 173 HG3 ARG 19 HG1 ARG 19 -7.679 44.462 -5.571 174 HD2 ARG 19 HD2 ARG 19 -7.951 42.749 -3.851 175 HD3 ARG 19 HD1 ARG 19 -9.704 42.830 -4.029 176 HE ARG 19 HE ARG 19 -7.910 41.958 -6.210 177 HH11 ARG 19 HH11 ARG 19 -10.818 41.561 -4.284 178 HH12 ARG 19 HH12 ARG 19 -11.379 40.196 -5.195 179 HH21 ARG 19 HH21 ARG 19 -8.657 40.165 -7.406 180 HH22 ARG 19 HH22 ARG 19 -10.153 39.399 -6.970 181 H PHE 20 HN PHE 20 -10.474 48.742 -4.437 182 HA PHE 20 HA PHE 20 -9.679 49.924 -1.939 183 HB2 PHE 20 HB2 PHE 20 -12.079 50.499 -3.704 184 HB3 PHE 20 HB1 PHE 20 -11.565 51.476 -2.334 185 HD1 PHE 20 HD2 PHE 20 -9.386 52.694 -2.445 186 HD2 PHE 20 HD1 PHE 20 -11.091 50.774 -5.843 187 HE1 PHE 20 HE2 PHE 20 -7.939 54.028 -3.918 188 HE2 PHE 20 HE1 PHE 20 -9.644 52.106 -7.322 189 HZ PHE 20 HZ PHE 20 -8.067 53.737 -6.362 190 H CYS 21 HN CYS 21 -11.209 50.244 -0.148 191 HA CYS 21 HA CYS 21 -12.323 47.829 0.784 192 HB2 CYS 21 HB2 CYS 21 -11.582 49.614 2.289 193 HB3 CYS 21 HB1 CYS 21 -12.850 50.671 1.688 194 HA PRO 22 HA PRO 22 -15.966 47.373 -1.670 195 HB2 PRO 22 HB2 PRO 22 -17.268 46.676 0.930 196 HB3 PRO 22 HB1 PRO 22 -17.299 45.815 -0.613 197 HG2 PRO 22 HG2 PRO 22 -15.743 45.071 1.476 198 HG3 PRO 22 HG1 PRO 22 -15.306 44.761 -0.212 199 HD2 PRO 22 HD2 PRO 22 -14.097 46.613 1.714 200 HD3 PRO 22 HD1 PRO 22 -13.459 46.034 0.164 201 H ARG 23 HN ARG 23 -16.626 48.761 1.560 202 HA ARG 23 HA ARG 23 -18.880 50.216 0.450 203 HB2 ARG 23 HB2 ARG 23 -17.939 50.026 3.317 204 HB3 ARG 23 HB1 ARG 23 -19.465 50.709 2.771 205 HG2 ARG 23 HG2 ARG 23 -18.617 47.825 2.494 206 HG3 ARG 23 HG1 ARG 23 -19.770 48.464 3.668 207 HD2 ARG 23 HD2 ARG 23 -21.263 49.137 1.857 208 HD3 ARG 23 HD1 ARG 23 -20.098 48.560 0.662 209 HE ARG 23 HE ARG 23 -20.469 46.314 1.898 210 HH11 ARG 23 HH11 ARG 23 -22.914 48.749 1.287 211 HH12 ARG 23 HH12 ARG 23 -24.217 47.605 1.232 212 HH21 ARG 23 HH21 ARG 23 -22.181 44.804 1.796 213 HH22 ARG 23 HH22 ARG 23 -23.799 45.362 1.500 214 H CYS 24 HN CYS 24 -15.737 50.948 1.922 215 HA CYS 24 HA CYS 24 -16.248 53.824 1.828 216 HB2 CYS 24 HB2 CYS 24 -13.602 52.535 2.487 217 HB3 CYS 24 HB1 CYS 24 -14.171 54.136 2.930 218 H GLY 25 HN GLY 25 -15.507 51.673 -0.464 219 HA2 GLY 25 HA2 GLY 25 -13.094 51.965 -1.568 220 HA3 GLY 25 HA1 GLY 25 -14.534 51.818 -2.547 221 HA PRO 26 HA PRO 26 -14.152 55.885 -4.250 222 HB2 PRO 26 HB2 PRO 26 -16.532 56.906 -2.769 223 HB3 PRO 26 HB1 PRO 26 -16.203 56.898 -4.505 224 HG2 PRO 26 HG2 PRO 26 -17.949 55.186 -3.454 225 HG3 PRO 26 HG1 PRO 26 -16.849 54.676 -4.750 226 HD2 PRO 26 HD2 PRO 26 -16.683 54.142 -1.805 227 HD3 PRO 26 HD1 PRO 26 -16.325 53.060 -3.169 228 H GLY 27 HN GLY 27 -12.232 56.184 -2.909 229 HA2 GLY 27 HA2 GLY 27 -11.247 58.291 -2.156 230 HA3 GLY 27 HA1 GLY 27 -12.603 58.461 -1.058 231 H VAL 28 HN VAL 28 -12.350 55.473 -0.440 232 HA VAL 28 HA VAL 28 -9.973 55.683 1.308 233 HB VAL 28 HB VAL 28 -12.618 54.473 2.130 234 HG11 VAL 28 HG11 VAL 28 -10.096 54.968 3.723 235 HG12 VAL 28 HG12 VAL 28 -10.701 53.396 3.193 236 HG13 VAL 28 HG13 VAL 28 -11.614 54.342 4.370 237 HG21 VAL 28 HG21 VAL 28 -12.826 56.892 1.970 238 HG22 VAL 28 HG22 VAL 28 -11.384 57.100 2.963 239 HG23 VAL 28 HG23 VAL 28 -12.835 56.382 3.659 240 H PHE 29 HN PHE 29 -8.597 54.245 0.621 241 HA PHE 29 HA PHE 29 -9.327 51.845 -0.763 242 HB2 PHE 29 HB2 PHE 29 -6.832 51.444 -0.729 243 HB3 PHE 29 HB1 PHE 29 -7.322 52.971 -1.454 244 HD1 PHE 29 HD1 PHE 29 -5.713 51.406 1.462 245 HD2 PHE 29 HD2 PHE 29 -6.748 55.082 -0.433 246 HE1 PHE 29 HE1 PHE 29 -4.218 52.615 2.993 247 HE2 PHE 29 HE2 PHE 29 -5.243 56.294 1.093 248 HZ PHE 29 HZ PHE 29 -3.979 55.060 2.811 249 H LEU 30 HN LEU 30 -7.456 50.022 0.165 250 HA LEU 30 HA LEU 30 -8.384 49.405 2.898 251 HB2 LEU 30 HB2 LEU 30 -9.221 47.895 1.067 252 HB3 LEU 30 HB1 LEU 30 -7.559 47.446 0.743 253 HG LEU 30 HG LEU 30 -7.371 46.483 3.005 254 HD11 LEU 30 HD11 LEU 30 -10.297 47.182 3.264 255 HD12 LEU 30 HD12 LEU 30 -8.968 47.909 4.169 256 HD13 LEU 30 HD13 LEU 30 -9.362 46.206 4.398 257 HD21 LEU 30 HD21 LEU 30 -9.727 45.455 1.416 258 HD22 LEU 30 HD22 LEU 30 -8.835 44.548 2.638 259 HD23 LEU 30 HD23 LEU 30 -8.031 45.047 1.151 260 H ALA 31 HN ALA 31 -6.799 49.498 4.369 261 HA ALA 31 HA ALA 31 -4.123 50.075 3.608 262 HB1 ALA 31 HB1 ALA 31 -3.652 50.173 5.996 263 HB2 ALA 31 HB2 ALA 31 -5.209 49.422 6.352 264 HB3 ALA 31 HB3 ALA 31 -5.150 51.027 5.625 265 H GLU 32 HN GLU 32 -3.363 48.320 2.431 266 HA GLU 32 HA GLU 32 -3.312 45.662 3.489 267 HB2 GLU 32 HB2 GLU 32 -3.313 45.939 1.100 268 HB3 GLU 32 HB1 GLU 32 -1.879 46.956 1.160 269 HG2 GLU 32 HG2 GLU 32 -0.542 45.052 1.899 270 HG3 GLU 32 HG1 GLU 32 -1.979 44.032 1.889 271 H HIS 33 HN HIS 33 -1.925 44.844 4.906 272 HA HIS 33 HA HIS 33 0.809 45.935 5.048 273 HB2 HIS 33 HB2 HIS 33 -0.873 45.040 7.415 274 HB3 HIS 33 HB1 HIS 33 0.811 45.548 7.489 275 HD1 HIS 33 HD1 HIS 33 1.229 48.132 6.775 276 HD2 HIS 33 HD2 HIS 33 -2.677 47.057 7.710 277 HE1 HIS 33 HE1 HIS 33 0.025 50.289 7.232 278 HE2 HIS 33 HE2 HIS 33 -2.277 49.598 7.983 279 H ALA 34 HN ALA 34 2.384 44.345 5.802 280 HA ALA 34 HA ALA 34 2.266 41.960 4.393 281 HB1 ALA 34 HB1 ALA 34 4.274 41.309 5.611 282 HB2 ALA 34 HB2 ALA 34 3.973 42.572 6.806 283 HB3 ALA 34 HB3 ALA 34 4.351 43.007 5.140 284 H ASP 35 HN ASP 35 1.180 42.691 7.609 285 HA ASP 35 HA ASP 35 0.836 39.924 8.367 286 HB2 ASP 35 HB2 ASP 35 1.421 41.668 10.037 287 HB3 ASP 35 HB1 ASP 35 -0.142 42.432 9.759 288 H ARG 36 HN ARG 36 -1.200 42.612 7.288 289 HA ARG 36 HA ARG 36 -3.270 40.999 6.319 290 HB2 ARG 36 HB2 ARG 36 -5.023 41.362 7.996 291 HB3 ARG 36 HB1 ARG 36 -3.680 40.451 8.672 292 HG2 ARG 36 HG2 ARG 36 -2.837 42.554 9.704 293 HG3 ARG 36 HG1 ARG 36 -4.284 43.376 9.112 294 HD2 ARG 36 HD2 ARG 36 -5.681 41.812 10.402 295 HD3 ARG 36 HD1 ARG 36 -4.223 41.026 11.011 296 HE ARG 36 HE ARG 36 -4.644 43.888 11.529 297 HH11 ARG 36 HH11 ARG 36 -4.333 40.613 12.714 298 HH12 ARG 36 HH12 ARG 36 -4.278 41.079 14.382 299 HH21 ARG 36 HH21 ARG 36 -4.581 44.515 13.732 300 HH22 ARG 36 HH22 ARG 36 -4.424 43.299 14.959 301 H TYR 37 HN TYR 37 -5.325 42.287 5.989 302 HA TYR 37 HA TYR 37 -4.688 45.035 5.198 303 HB2 TYR 37 HB2 TYR 37 -7.159 43.402 4.539 304 HB3 TYR 37 HB1 TYR 37 -6.629 44.887 3.761 305 HD1 TYR 37 HD1 TYR 37 -5.653 41.331 4.295 306 HD2 TYR 37 HD2 TYR 37 -5.304 44.775 1.812 307 HE1 TYR 37 HE1 TYR 37 -4.484 39.986 2.603 308 HE2 TYR 37 HE2 TYR 37 -4.133 43.434 0.116 309 HH TYR 37 HH TYR 37 -4.061 40.059 0.156 310 H SER 38 HN SER 38 -5.764 46.768 6.110 311 HA SER 38 HA SER 38 -7.948 46.211 8.001 312 HB2 SER 38 HB2 SER 38 -5.886 46.460 9.320 313 HB3 SER 38 HB1 SER 38 -5.561 48.009 8.543 314 HG SER 38 HG SER 38 -6.708 47.887 10.719 315 H CYS 39 HN CYS 39 -9.276 48.113 8.474 316 HA CYS 39 HA CYS 39 -8.928 50.369 6.630 317 HB2 CYS 39 HB2 CYS 39 -10.529 48.930 5.513 318 HB3 CYS 39 HB1 CYS 39 -11.502 48.825 6.968 319 H GLY 40 HN GLY 40 -8.252 51.544 8.493 320 HA2 GLY 40 HA2 GLY 40 -9.954 52.064 10.702 321 HA3 GLY 40 HA1 GLY 40 -8.644 53.095 10.143 322 H ARG 41 HN ARG 41 -11.991 52.215 9.523 323 HA ARG 41 HA ARG 41 -12.898 54.839 9.028 324 HB2 ARG 41 HB2 ARG 41 -11.479 54.067 6.906 325 HB3 ARG 41 HB1 ARG 41 -12.959 53.218 6.498 326 HG2 ARG 41 HG2 ARG 41 -12.853 56.181 7.046 327 HG3 ARG 41 HG1 ARG 41 -12.638 55.482 5.445 328 HD2 ARG 41 HD2 ARG 41 -14.912 54.329 5.895 329 HD3 ARG 41 HD1 ARG 41 -15.095 55.537 7.167 330 HE ARG 41 HE ARG 41 -14.439 57.047 5.031 331 HH11 ARG 41 HH11 ARG 41 -16.928 54.636 5.583 332 HH12 ARG 41 HH12 ARG 41 -17.964 55.238 4.331 333 HH21 ARG 41 HH21 ARG 41 -15.809 57.820 3.357 334 HH22 ARG 41 HH22 ARG 41 -17.327 57.028 3.062 335 H CYS 42 HN CYS 42 -13.280 51.358 8.655 336 HA CYS 42 HA CYS 42 -15.973 51.601 9.746 337 HB2 CYS 42 HB2 CYS 42 -17.015 50.140 8.120 338 HB3 CYS 42 HB1 CYS 42 -16.291 51.507 7.280 339 H GLY 43 HN GLY 43 -12.993 50.140 9.822 340 HA2 GLY 43 HA2 GLY 43 -12.238 48.501 11.256 341 HA3 GLY 43 HA1 GLY 43 -13.902 48.172 11.714 342 H TYR 44 HN TYR 44 -13.103 48.175 8.366 343 HA TYR 44 HA TYR 44 -13.675 45.364 8.120 344 HB2 TYR 44 HB2 TYR 44 -14.398 47.054 6.412 345 HB3 TYR 44 HB1 TYR 44 -12.707 47.297 5.989 346 HD1 TYR 44 HD1 TYR 44 -15.546 44.958 5.837 347 HD2 TYR 44 HD2 TYR 44 -11.511 45.648 4.661 348 HE1 TYR 44 HE1 TYR 44 -15.706 43.110 4.222 349 HE2 TYR 44 HE2 TYR 44 -11.662 43.802 3.046 350 HH TYR 44 HH TYR 44 -13.023 41.715 2.750 351 H THR 45 HN THR 45 -12.226 43.796 8.215 352 HA THR 45 HA THR 45 -9.397 44.344 7.673 353 HB THR 45 HB THR 45 -10.405 43.018 10.211 354 HG1 THR 45 HG1 THR 45 -9.946 44.891 11.199 355 HG21 THR 45 HG21 THR 45 -8.279 42.048 9.436 356 HG22 THR 45 HG22 THR 45 -8.044 43.005 10.899 357 HG23 THR 45 HG23 THR 45 -7.578 43.663 9.332 358 H GLU 46 HN GLU 46 -8.215 42.549 7.020 359 HA GLU 46 HA GLU 46 -9.442 39.910 6.952 360 HB2 GLU 46 HB2 GLU 46 -10.264 40.904 4.871 361 HB3 GLU 46 HB1 GLU 46 -8.638 41.406 4.434 362 HG2 GLU 46 HG2 GLU 46 -9.310 39.453 3.164 363 HG3 GLU 46 HG1 GLU 46 -7.960 39.066 4.231 364 H PHE 47 HN PHE 47 -7.883 38.299 6.989 365 HA PHE 47 HA PHE 47 -5.228 39.198 7.666 366 HB2 PHE 47 HB2 PHE 47 -6.451 36.437 7.510 367 HB3 PHE 47 HB1 PHE 47 -4.782 36.731 7.983 368 HD1 PHE 47 HD2 PHE 47 -4.379 38.293 9.972 369 HD2 PHE 47 HD1 PHE 47 -8.154 36.509 9.114 370 HE1 PHE 47 HE2 PHE 47 -5.084 38.666 12.301 371 HE2 PHE 47 HE1 PHE 47 -8.863 36.886 11.438 372 HZ PHE 47 HZ PHE 47 -7.329 37.963 13.037 373 H LYS 48 HN LYS 48 -3.302 38.734 6.610 374 HA LYS 48 HA LYS 48 -3.341 38.739 3.790 375 HB2 LYS 48 HB2 LYS 48 -1.277 38.645 5.901 376 HB3 LYS 48 HB1 LYS 48 -0.800 37.860 4.401 377 HG2 LYS 48 HG2 LYS 48 -1.854 40.682 4.571 378 HG3 LYS 48 HG1 LYS 48 -0.141 40.254 4.567 379 HD2 LYS 48 HD2 LYS 48 -0.445 39.159 2.369 380 HD3 LYS 48 HD1 LYS 48 -2.139 39.654 2.374 381 HE2 LYS 48 HE2 LYS 48 -1.479 41.996 2.375 382 HE3 LYS 48 HE1 LYS 48 0.222 41.538 2.464 383 HZ1 LYS 48 HZ1 LYS 48 -1.588 40.808 0.227 384 HZ2 LYS 48 HZ2 LYS 48 0.082 40.553 0.301 385 HZ3 LYS 48 HZ3 LYS 48 -0.530 42.126 0.202 386 H LYS 49 HN LYS 49 -4.186 37.117 2.705 387 HA LYS 49 HA LYS 49 -3.662 34.348 3.536 388 HB2 LYS 49 HB2 LYS 49 -6.015 35.635 2.879 389 HB3 LYS 49 HB1 LYS 49 -5.610 34.834 1.372 390 HG2 LYS 49 HG2 LYS 49 -5.846 32.716 2.275 391 HG3 LYS 49 HG1 LYS 49 -5.573 33.276 3.928 392 HD2 LYS 49 HD2 LYS 49 -8.031 33.853 2.253 393 HD3 LYS 49 HD1 LYS 49 -7.929 32.665 3.554 394 HE2 LYS 49 HE2 LYS 49 -7.424 34.465 5.152 395 HE3 LYS 49 HE1 LYS 49 -7.539 35.649 3.854 396 HZ1 LYS 49 HZ1 LYS 49 -9.864 35.047 3.565 397 HZ2 LYS 49 HZ2 LYS 49 -9.566 35.570 5.145 398 HZ3 LYS 49 HZ3 LYS 49 -9.749 33.919 4.818 399 H ALA 50 HN ALA 50 -1.707 33.880 2.638 400 HA ALA 50 HA ALA 50 -0.802 34.810 0.130 401 HB1 ALA 50 HB1 ALA 50 1.010 33.192 0.395 402 HB2 ALA 50 HB2 ALA 50 0.132 32.411 1.711 403 HB3 ALA 50 HB3 ALA 50 0.718 34.063 1.902 404 H LYS 51 HN LYS 51 -2.373 31.828 1.164 405 HA LYS 51 HA LYS 51 -3.313 31.342 -1.521 406 HB2 LYS 51 HB2 LYS 51 -1.037 30.309 -1.461 407 HB3 LYS 51 HB1 LYS 51 -1.583 29.262 -0.158 408 HG2 LYS 51 HG2 LYS 51 -3.061 28.093 -1.563 409 HG3 LYS 51 HG1 LYS 51 -2.983 29.331 -2.819 410 HD2 LYS 51 HD2 LYS 51 -0.716 27.508 -1.989 411 HD3 LYS 51 HD1 LYS 51 -1.696 27.345 -3.449 412 HE2 LYS 51 HE2 LYS 51 -0.915 29.569 -4.190 413 HE3 LYS 51 HE1 LYS 51 0.102 29.673 -2.753 414 HZ1 LYS 51 HZ1 LYS 51 1.307 27.717 -3.517 415 HZ2 LYS 51 HZ2 LYS 51 1.364 28.953 -4.670 416 HZ3 LYS 51 HZ3 LYS 51 0.332 27.636 -4.898 417 H LYS 52 HN LYS 52 -5.035 29.826 -1.574 418 HA LYS 52 HA LYS 52 -6.056 28.811 0.955 419 HB2 LYS 52 HB2 LYS 52 -8.289 29.964 0.487 420 HB3 LYS 52 HB1 LYS 52 -6.989 30.989 1.084 421 HG2 LYS 52 HG2 LYS 52 -6.559 31.824 -1.141 422 HG3 LYS 52 HG1 LYS 52 -7.748 30.714 -1.822 423 HD2 LYS 52 HD2 LYS 52 -9.542 31.860 -0.663 424 HD3 LYS 52 HD1 LYS 52 -8.381 32.904 0.166 425 HE2 LYS 52 HE2 LYS 52 -9.508 33.980 -1.787 426 HE3 LYS 52 HE1 LYS 52 -7.751 33.954 -1.894 427 HZ1 LYS 52 HZ1 LYS 52 -7.879 32.089 -3.393 428 HZ2 LYS 52 HZ2 LYS 52 -8.829 33.354 -3.992 429 HZ3 LYS 52 HZ3 LYS 52 -9.561 32.027 -3.247 430 H SER 53 HN SER 53 -7.268 27.010 0.680 431 HA SER 53 HA SER 53 -7.610 26.026 -2.046 432 HB2 SER 53 HB2 SER 53 -6.517 24.549 -0.393 433 HB3 SER 53 HB1 SER 53 -7.967 24.595 0.608 434 HG SER 53 HG SER 53 -9.071 23.465 -0.936 435 H LYS 54 HN LYS 54 -9.310 27.625 -2.411 436 HA LYS 54 HA LYS 54 -11.456 28.231 -2.753 437 HB2 LYS 54 HB2 LYS 54 -11.951 25.311 -2.130 438 HB3 LYS 54 HB1 LYS 54 -13.164 26.401 -2.793 439 HG2 LYS 54 HG2 LYS 54 -11.727 26.771 -4.761 440 HG3 LYS 54 HG1 LYS 54 -10.561 25.619 -4.104 441 HD2 LYS 54 HD2 LYS 54 -12.195 23.830 -4.241 442 HD3 LYS 54 HD1 LYS 54 -13.441 24.965 -4.762 443 HE2 LYS 54 HE2 LYS 54 -10.923 24.261 -6.281 444 HE3 LYS 54 HE1 LYS 54 -12.552 23.709 -6.660 445 HZ1 LYS 54 HZ1 LYS 54 -11.925 25.553 -8.064 446 HZ2 LYS 54 HZ2 LYS 54 -11.613 26.526 -6.719 447 HZ3 LYS 54 HZ3 LYS 54 -13.192 26.017 -7.046 448 H SER 55 HN SER 55 -12.239 25.840 -0.254 449 HA SER 55 HA SER 55 -12.637 27.789 1.795 450 HB2 SER 55 HB2 SER 55 -15.153 27.345 1.954 451 HB3 SER 55 HB1 SER 55 -14.632 28.382 0.626 452 HG SER 55 HG SER 55 -14.982 25.591 0.320 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 7.326 18.763 19.760 2 H2 MET 1 HT2 MET 1 7.044 18.729 18.091 3 H3 MET 1 HT3 MET 1 7.768 17.407 18.851 4 HA MET 1 HA MET 1 5.425 17.027 18.302 5 HB2 MET 1 HB2 MET 1 4.804 16.090 20.472 6 HB3 MET 1 HB1 MET 1 6.504 15.792 20.139 7 HG2 MET 1 HG2 MET 1 7.135 17.599 21.642 8 HG3 MET 1 HG1 MET 1 5.437 17.964 21.939 9 HE1 MET 1 HE1 MET 1 5.922 17.800 24.579 10 HE2 MET 1 HE2 MET 1 7.609 17.411 24.242 11 HE3 MET 1 HE3 MET 1 6.671 16.396 25.338 12 H GLN 2 HN GLN 2 5.840 20.043 18.663 13 HA GLN 2 HA GLN 2 3.226 20.662 19.889 14 HB2 GLN 2 HB2 GLN 2 5.102 21.764 21.021 15 HB3 GLN 2 HB1 GLN 2 5.650 22.439 19.494 16 HG2 GLN 2 HG2 GLN 2 3.396 23.620 19.380 17 HG3 GLN 2 HG1 GLN 2 3.183 23.145 21.066 18 HE21 GLN 2 HE21 GLN 2 3.193 25.260 21.816 19 HE22 GLN 2 HE22 GLN 2 4.621 26.233 21.836 20 H LYS 3 HN LYS 3 1.832 20.547 18.200 21 HA LYS 3 HA LYS 3 2.492 21.581 15.578 22 HB2 LYS 3 HB2 LYS 3 1.080 19.602 15.772 23 HB3 LYS 3 HB1 LYS 3 -0.083 20.487 16.743 24 HG2 LYS 3 HG2 LYS 3 -0.936 20.228 14.512 25 HG3 LYS 3 HG1 LYS 3 -0.571 21.929 14.796 26 HD2 LYS 3 HD2 LYS 3 1.516 21.714 13.550 27 HD3 LYS 3 HD1 LYS 3 1.220 19.988 13.318 28 HE2 LYS 3 HE2 LYS 3 -0.796 20.504 12.026 29 HE3 LYS 3 HE1 LYS 3 -0.527 22.227 12.282 30 HZ1 LYS 3 HZ1 LYS 3 1.576 22.011 11.071 31 HZ2 LYS 3 HZ2 LYS 3 0.255 21.580 10.113 32 HZ3 LYS 3 HZ3 LYS 3 1.246 20.382 10.775 33 H ARG 4 HN ARG 4 1.785 23.481 14.675 34 HA ARG 4 HA ARG 4 0.153 25.272 16.358 35 HB2 ARG 4 HB2 ARG 4 2.687 25.894 14.848 36 HB3 ARG 4 HB1 ARG 4 1.531 27.152 15.256 37 HG2 ARG 4 HG2 ARG 4 1.787 26.454 17.668 38 HG3 ARG 4 HG1 ARG 4 3.134 25.438 17.142 39 HD2 ARG 4 HD2 ARG 4 3.831 27.683 17.982 40 HD3 ARG 4 HD1 ARG 4 4.339 27.355 16.323 41 HE ARG 4 HE ARG 4 1.829 28.694 16.364 42 HH11 ARG 4 HH11 ARG 4 5.257 29.289 16.822 43 HH12 ARG 4 HH12 ARG 4 5.160 30.943 16.302 44 HH21 ARG 4 HH21 ARG 4 1.706 30.855 15.679 45 HH22 ARG 4 HH22 ARG 4 3.146 31.831 15.646 46 H GLU 5 HN GLU 5 -0.766 27.092 15.107 47 HA GLU 5 HA GLU 5 -2.168 26.192 12.804 48 HB2 GLU 5 HB2 GLU 5 -2.622 28.878 12.776 49 HB3 GLU 5 HB1 GLU 5 -3.518 27.738 13.761 50 HG2 GLU 5 HG2 GLU 5 -2.867 29.697 15.045 51 HG3 GLU 5 HG1 GLU 5 -2.117 28.238 15.681 52 H LEU 6 HN LEU 6 0.727 28.058 13.327 53 HA LEU 6 HA LEU 6 2.399 28.714 11.953 54 HB2 LEU 6 HB2 LEU 6 1.909 26.308 11.089 55 HB3 LEU 6 HB1 LEU 6 1.183 27.109 9.712 56 HG LEU 6 HG LEU 6 4.056 27.566 10.550 57 HD11 LEU 6 HD11 LEU 6 4.695 26.014 8.771 58 HD12 LEU 6 HD12 LEU 6 2.998 25.626 8.492 59 HD13 LEU 6 HD13 LEU 6 3.760 25.201 10.026 60 HD21 LEU 6 HD21 LEU 6 4.319 28.373 8.252 61 HD22 LEU 6 HD22 LEU 6 3.117 29.313 9.134 62 HD23 LEU 6 HD23 LEU 6 2.599 28.102 7.960 63 H TYR 7 HN TYR 7 0.266 28.395 9.171 64 HA TYR 7 HA TYR 7 -0.643 31.112 9.213 65 HB2 TYR 7 HB2 TYR 7 1.616 30.336 7.359 66 HB3 TYR 7 HB1 TYR 7 0.491 31.619 6.933 67 HD1 TYR 7 HD1 TYR 7 0.197 33.505 8.751 68 HD2 TYR 7 HD2 TYR 7 3.552 30.889 8.538 69 HE1 TYR 7 HE1 TYR 7 1.531 35.118 10.042 70 HE2 TYR 7 HE2 TYR 7 4.892 32.492 9.829 71 HH TYR 7 HH TYR 7 3.491 35.202 11.420 72 H GLU 8 HN GLU 8 -1.673 31.644 7.011 73 HA GLU 8 HA GLU 8 -3.537 29.565 6.370 74 HB2 GLU 8 HB2 GLU 8 -3.468 32.371 6.201 75 HB3 GLU 8 HB1 GLU 8 -3.536 31.836 4.529 76 HG2 GLU 8 HG2 GLU 8 -5.479 31.009 6.686 77 HG3 GLU 8 HG1 GLU 8 -5.749 32.303 5.523 78 H ILE 9 HN ILE 9 -3.990 28.984 4.028 79 HA ILE 9 HA ILE 9 -1.455 28.411 2.656 80 HB ILE 9 HB ILE 9 -2.667 26.742 1.369 81 HG12 ILE 9 HG12 ILE 9 -5.134 27.556 2.943 82 HG13 ILE 9 HG11 ILE 9 -4.844 27.964 1.255 83 HG21 ILE 9 HG21 ILE 9 -1.755 26.068 3.528 84 HG22 ILE 9 HG22 ILE 9 -3.241 25.186 3.183 85 HG23 ILE 9 HG23 ILE 9 -3.259 26.527 4.327 86 HD11 ILE 9 HD11 ILE 9 -4.860 25.592 0.680 87 HD12 ILE 9 HD12 ILE 9 -6.362 26.086 1.459 88 HD13 ILE 9 HD13 ILE 9 -5.151 25.186 2.371 89 H ALA 10 HN ALA 10 -1.748 28.297 0.166 90 HA ALA 10 HA ALA 10 -2.638 30.910 -0.724 91 HB1 ALA 10 HB1 ALA 10 -1.265 28.696 -2.258 92 HB2 ALA 10 HB2 ALA 10 -0.465 30.054 -1.469 93 HB3 ALA 10 HB3 ALA 10 -1.543 30.341 -2.834 94 H ASP 11 HN ASP 11 -4.910 30.460 -0.336 95 HA ASP 11 HA ASP 11 -6.184 28.766 -2.380 96 HB2 ASP 11 HB2 ASP 11 -6.898 28.438 -0.020 97 HB3 ASP 11 HB1 ASP 11 -7.414 30.119 0.042 98 H GLY 12 HN GLY 12 -6.522 31.984 -0.893 99 HA2 GLY 12 HA2 GLY 12 -7.984 33.027 -3.165 100 HA3 GLY 12 HA1 GLY 12 -7.455 33.930 -1.751 101 H LYS 13 HN LYS 13 -5.864 32.096 -4.341 102 HA LYS 13 HA LYS 13 -3.487 33.627 -4.250 103 HB2 LYS 13 HB2 LYS 13 -3.571 31.289 -5.010 104 HB3 LYS 13 HB1 LYS 13 -4.527 31.768 -6.404 105 HG2 LYS 13 HG2 LYS 13 -2.672 33.014 -7.315 106 HG3 LYS 13 HG1 LYS 13 -1.713 32.712 -5.862 107 HD2 LYS 13 HD2 LYS 13 -1.778 30.296 -6.333 108 HD3 LYS 13 HD1 LYS 13 -2.713 30.611 -7.795 109 HE2 LYS 13 HE2 LYS 13 0.067 31.675 -7.267 110 HE3 LYS 13 HE1 LYS 13 -0.290 30.235 -8.219 111 HZ1 LYS 13 HZ1 LYS 13 0.013 32.047 -9.695 112 HZ2 LYS 13 HZ2 LYS 13 -1.064 33.028 -8.844 113 HZ3 LYS 13 HZ3 LYS 13 -1.638 31.686 -9.694 114 H LEU 14 HN LEU 14 -6.416 33.868 -6.151 115 HA LEU 14 HA LEU 14 -5.238 35.964 -7.823 116 HB2 LEU 14 HB2 LEU 14 -6.562 34.188 -8.914 117 HB3 LEU 14 HB1 LEU 14 -7.964 34.659 -7.971 118 HG LEU 14 HG LEU 14 -7.994 36.851 -9.093 119 HD11 LEU 14 HD11 LEU 14 -6.549 37.273 -11.025 120 HD12 LEU 14 HD12 LEU 14 -5.677 35.774 -10.701 121 HD13 LEU 14 HD13 LEU 14 -5.617 37.099 -9.539 122 HD21 LEU 14 HD21 LEU 14 -7.922 34.519 -11.016 123 HD22 LEU 14 HD22 LEU 14 -8.698 36.076 -11.306 124 HD23 LEU 14 HD23 LEU 14 -9.302 35.016 -10.034 125 H VAL 15 HN VAL 15 -5.052 37.628 -6.356 126 HA VAL 15 HA VAL 15 -7.577 38.981 -5.700 127 HB VAL 15 HB VAL 15 -6.569 39.805 -3.563 128 HG11 VAL 15 HG11 VAL 15 -6.944 37.747 -2.272 129 HG12 VAL 15 HG12 VAL 15 -6.860 36.801 -3.759 130 HG13 VAL 15 HG13 VAL 15 -8.168 37.961 -3.523 131 HG21 VAL 15 HG21 VAL 15 -4.462 37.704 -4.110 132 HG22 VAL 15 HG22 VAL 15 -4.641 38.611 -2.609 133 HG23 VAL 15 HG23 VAL 15 -4.210 39.450 -4.099 134 H ARG 16 HN ARG 16 -7.226 41.336 -5.298 135 HA ARG 16 HA ARG 16 -5.388 42.344 -7.320 136 HB2 ARG 16 HB2 ARG 16 -7.861 43.042 -7.108 137 HB3 ARG 16 HB1 ARG 16 -7.353 43.998 -5.720 138 HG2 ARG 16 HG2 ARG 16 -7.402 45.459 -7.591 139 HG3 ARG 16 HG1 ARG 16 -5.701 45.143 -7.239 140 HD2 ARG 16 HD2 ARG 16 -5.839 43.300 -8.989 141 HD3 ARG 16 HD1 ARG 16 -7.394 43.995 -9.448 142 HE ARG 16 HE ARG 16 -5.262 45.920 -9.409 143 HH11 ARG 16 HH11 ARG 16 -6.913 43.505 -11.330 144 HH12 ARG 16 HH12 ARG 16 -6.297 44.097 -12.840 145 HH21 ARG 16 HH21 ARG 16 -4.437 46.698 -11.404 146 HH22 ARG 16 HH22 ARG 16 -4.881 45.903 -12.884 147 H LYS 17 HN LYS 17 -3.692 43.698 -6.931 148 HA LYS 17 HA LYS 17 -2.454 43.659 -4.385 149 HB2 LYS 17 HB2 LYS 17 -1.414 43.892 -6.762 150 HB3 LYS 17 HB1 LYS 17 -1.749 45.606 -6.586 151 HG2 LYS 17 HG2 LYS 17 -0.048 43.985 -4.693 152 HG3 LYS 17 HG1 LYS 17 0.576 44.964 -6.019 153 HD2 LYS 17 HD2 LYS 17 -0.375 46.976 -4.975 154 HD3 LYS 17 HD1 LYS 17 -1.002 45.992 -3.651 155 HE2 LYS 17 HE2 LYS 17 1.910 46.323 -4.376 156 HE3 LYS 17 HE1 LYS 17 1.088 47.122 -3.035 157 HZ1 LYS 17 HZ1 LYS 17 0.671 44.973 -2.038 158 HZ2 LYS 17 HZ2 LYS 17 2.327 45.168 -2.319 159 HZ3 LYS 17 HZ3 LYS 17 1.409 44.183 -3.339 160 H HIS 18 HN HIS 18 -2.882 44.890 -2.694 161 HA HIS 18 HA HIS 18 -4.046 46.289 -1.367 162 HB2 HIS 18 HB2 HIS 18 -3.136 48.385 -1.284 163 HB3 HIS 18 HB1 HIS 18 -1.983 47.621 -2.361 164 HD1 HIS 18 HD1 HIS 18 -2.286 48.247 -4.979 165 HD2 HIS 18 HD2 HIS 18 -4.368 50.610 -2.267 166 HE1 HIS 18 HE1 HIS 18 -2.878 50.344 -6.223 167 HE2 HIS 18 HE2 HIS 18 -3.947 51.834 -4.502 168 H ARG 19 HN ARG 19 -6.119 45.756 -1.560 169 HA ARG 19 HA ARG 19 -7.735 46.639 -3.793 170 HB2 ARG 19 HB2 ARG 19 -8.486 45.133 -1.271 171 HB3 ARG 19 HB1 ARG 19 -9.560 45.424 -2.633 172 HG2 ARG 19 HG2 ARG 19 -8.105 44.104 -4.080 173 HG3 ARG 19 HG1 ARG 19 -7.004 43.826 -2.730 174 HD2 ARG 19 HD2 ARG 19 -8.473 41.904 -3.092 175 HD3 ARG 19 HD1 ARG 19 -8.764 42.644 -1.519 176 HE ARG 19 HE ARG 19 -10.535 43.717 -3.455 177 HH11 ARG 19 HH11 ARG 19 -9.988 40.814 -1.572 178 HH12 ARG 19 HH12 ARG 19 -11.653 40.340 -1.577 179 HH21 ARG 19 HH21 ARG 19 -12.720 43.118 -3.448 180 HH22 ARG 19 HH22 ARG 19 -13.222 41.673 -2.623 181 H PHE 20 HN PHE 20 -9.847 47.702 -3.372 182 HA PHE 20 HA PHE 20 -9.638 49.763 -1.290 183 HB2 PHE 20 HB2 PHE 20 -11.385 49.586 -3.766 184 HB3 PHE 20 HB1 PHE 20 -11.489 50.880 -2.573 185 HD1 PHE 20 HD1 PHE 20 -9.175 49.261 -4.995 186 HD2 PHE 20 HD2 PHE 20 -10.075 52.744 -2.710 187 HE1 PHE 20 HE1 PHE 20 -7.406 50.493 -6.179 188 HE2 PHE 20 HE2 PHE 20 -8.304 53.976 -3.894 189 HZ PHE 20 HZ PHE 20 -6.969 52.853 -5.627 190 H CYS 21 HN CYS 21 -11.258 50.023 0.234 191 HA CYS 21 HA CYS 21 -12.513 47.654 1.116 192 HB2 CYS 21 HB2 CYS 21 -11.818 49.442 2.631 193 HB3 CYS 21 HB1 CYS 21 -12.989 50.534 1.907 194 HA PRO 22 HA PRO 22 -15.839 47.348 -1.780 195 HB2 PRO 22 HB2 PRO 22 -17.388 46.378 0.572 196 HB3 PRO 22 HB1 PRO 22 -17.182 45.649 -1.022 197 HG2 PRO 22 HG2 PRO 22 -15.867 44.812 1.201 198 HG3 PRO 22 HG1 PRO 22 -15.230 44.618 -0.440 199 HD2 PRO 22 HD2 PRO 22 -14.307 46.368 1.721 200 HD3 PRO 22 HD1 PRO 22 -13.483 45.918 0.220 201 H ARG 23 HN ARG 23 -16.567 48.678 1.450 202 HA ARG 23 HA ARG 23 -18.830 50.125 0.321 203 HB2 ARG 23 HB2 ARG 23 -17.917 49.940 3.196 204 HB3 ARG 23 HB1 ARG 23 -19.390 50.722 2.642 205 HG2 ARG 23 HG2 ARG 23 -18.727 47.784 2.501 206 HG3 ARG 23 HG1 ARG 23 -19.939 48.558 3.522 207 HD2 ARG 23 HD2 ARG 23 -21.154 49.258 1.472 208 HD3 ARG 23 HD1 ARG 23 -19.973 48.372 0.503 209 HE ARG 23 HE ARG 23 -21.892 47.172 2.395 210 HH11 ARG 23 HH11 ARG 23 -19.777 46.887 -0.385 211 HH12 ARG 23 HH12 ARG 23 -20.251 45.259 -0.739 212 HH21 ARG 23 HH21 ARG 23 -22.527 45.036 1.923 213 HH22 ARG 23 HH22 ARG 23 -21.806 44.199 0.584 214 H CYS 24 HN CYS 24 -15.940 50.955 2.283 215 HA CYS 24 HA CYS 24 -16.367 53.780 1.941 216 HB2 CYS 24 HB2 CYS 24 -13.736 52.590 2.805 217 HB3 CYS 24 HB1 CYS 24 -14.439 54.138 3.248 218 H GLY 25 HN GLY 25 -15.422 51.612 -0.273 219 HA2 GLY 25 HA2 GLY 25 -12.966 51.861 -1.229 220 HA3 GLY 25 HA1 GLY 25 -14.342 51.781 -2.306 221 HA PRO 26 HA PRO 26 -13.749 55.766 -4.061 222 HB2 PRO 26 HB2 PRO 26 -16.010 56.984 -2.534 223 HB3 PRO 26 HB1 PRO 26 -15.697 56.981 -4.274 224 HG2 PRO 26 HG2 PRO 26 -17.559 55.386 -3.236 225 HG3 PRO 26 HG1 PRO 26 -16.511 54.817 -4.549 226 HD2 PRO 26 HD2 PRO 26 -16.400 54.189 -1.624 227 HD3 PRO 26 HD1 PRO 26 -16.069 53.139 -3.018 228 H GLY 27 HN GLY 27 -11.770 55.934 -2.766 229 HA2 GLY 27 HA2 GLY 27 -10.518 57.881 -2.056 230 HA3 GLY 27 HA1 GLY 27 -11.882 58.340 -1.052 231 H VAL 28 HN VAL 28 -12.154 55.435 -0.221 232 HA VAL 28 HA VAL 28 -9.919 55.421 1.714 233 HB VAL 28 HB VAL 28 -12.726 54.420 2.246 234 HG11 VAL 28 HG11 VAL 28 -11.045 53.251 3.558 235 HG12 VAL 28 HG12 VAL 28 -11.987 54.321 4.600 236 HG13 VAL 28 HG13 VAL 28 -10.361 54.787 4.097 237 HG21 VAL 28 HG21 VAL 28 -12.999 56.388 3.690 238 HG22 VAL 28 HG22 VAL 28 -12.741 56.851 2.007 239 HG23 VAL 28 HG23 VAL 28 -11.423 56.988 3.174 240 H PHE 29 HN PHE 29 -8.618 53.970 0.828 241 HA PHE 29 HA PHE 29 -9.520 51.590 -0.481 242 HB2 PHE 29 HB2 PHE 29 -7.079 51.079 -0.658 243 HB3 PHE 29 HB1 PHE 29 -7.508 52.667 -1.282 244 HD1 PHE 29 HD1 PHE 29 -6.938 54.705 0.026 245 HD2 PHE 29 HD2 PHE 29 -5.580 50.836 1.189 246 HE1 PHE 29 HE1 PHE 29 -5.238 55.740 1.469 247 HE2 PHE 29 HE2 PHE 29 -3.882 51.869 2.639 248 HZ PHE 29 HZ PHE 29 -3.708 54.322 2.781 249 H LEU 30 HN LEU 30 -7.859 49.609 0.269 250 HA LEU 30 HA LEU 30 -8.518 49.096 3.098 251 HB2 LEU 30 HB2 LEU 30 -9.631 47.645 1.343 252 HB3 LEU 30 HB1 LEU 30 -8.037 47.057 0.913 253 HG LEU 30 HG LEU 30 -7.773 46.110 3.171 254 HD11 LEU 30 HD11 LEU 30 -9.687 46.002 4.691 255 HD12 LEU 30 HD12 LEU 30 -10.607 47.050 3.610 256 HD13 LEU 30 HD13 LEU 30 -9.164 47.664 4.419 257 HD21 LEU 30 HD21 LEU 30 -9.392 44.287 2.931 258 HD22 LEU 30 HD22 LEU 30 -8.674 44.716 1.378 259 HD23 LEU 30 HD23 LEU 30 -10.310 45.249 1.768 260 H ALA 31 HN ALA 31 -6.730 49.611 4.197 261 HA ALA 31 HA ALA 31 -4.181 49.918 3.139 262 HB1 ALA 31 HB1 ALA 31 -4.942 51.001 5.200 263 HB2 ALA 31 HB2 ALA 31 -3.418 50.148 5.443 264 HB3 ALA 31 HB3 ALA 31 -4.925 49.442 6.025 265 H GLU 32 HN GLU 32 -3.056 48.343 2.216 266 HA GLU 32 HA GLU 32 -3.130 45.623 3.147 267 HB2 GLU 32 HB2 GLU 32 -2.903 46.190 0.741 268 HB3 GLU 32 HB1 GLU 32 -1.330 46.906 1.073 269 HG2 GLU 32 HG2 GLU 32 -0.576 44.682 1.915 270 HG3 GLU 32 HG1 GLU 32 -2.109 44.010 1.368 271 H HIS 33 HN HIS 33 -2.101 45.114 4.969 272 HA HIS 33 HA HIS 33 0.648 46.120 5.369 273 HB2 HIS 33 HB2 HIS 33 -1.208 44.901 7.441 274 HB3 HIS 33 HB1 HIS 33 0.386 45.585 7.740 275 HD1 HIS 33 HD1 HIS 33 0.553 48.119 7.982 276 HD2 HIS 33 HD2 HIS 33 -3.252 46.798 6.959 277 HE1 HIS 33 HE1 HIS 33 -0.950 50.113 8.252 278 HE2 HIS 33 HE2 HIS 33 -3.271 49.243 7.793 279 H ALA 34 HN ALA 34 2.228 44.557 6.050 280 HA ALA 34 HA ALA 34 2.249 42.218 4.535 281 HB1 ALA 34 HB1 ALA 34 4.278 41.635 5.766 282 HB2 ALA 34 HB2 ALA 34 3.904 42.858 6.981 283 HB3 ALA 34 HB3 ALA 34 4.277 43.344 5.328 284 H ASP 35 HN ASP 35 0.908 42.823 7.653 285 HA ASP 35 HA ASP 35 0.685 39.998 8.322 286 HB2 ASP 35 HB2 ASP 35 -0.192 42.506 9.769 287 HB3 ASP 35 HB1 ASP 35 -0.495 40.878 10.371 288 H ARG 36 HN ARG 36 -1.350 42.654 7.200 289 HA ARG 36 HA ARG 36 -3.375 40.995 6.198 290 HB2 ARG 36 HB2 ARG 36 -5.170 41.352 7.810 291 HB3 ARG 36 HB1 ARG 36 -3.819 40.531 8.579 292 HG2 ARG 36 HG2 ARG 36 -3.094 42.733 9.504 293 HG3 ARG 36 HG1 ARG 36 -4.570 43.441 8.843 294 HD2 ARG 36 HD2 ARG 36 -5.861 41.741 10.172 295 HD3 ARG 36 HD1 ARG 36 -4.343 41.290 10.947 296 HE ARG 36 HE ARG 36 -5.618 43.949 11.152 297 HH11 ARG 36 HH11 ARG 36 -3.539 41.447 12.450 298 HH12 ARG 36 HH12 ARG 36 -3.353 42.227 13.990 299 HH21 ARG 36 HH21 ARG 36 -5.372 44.977 13.171 300 HH22 ARG 36 HH22 ARG 36 -4.387 44.236 14.397 301 H TYR 37 HN TYR 37 -5.415 42.263 5.738 302 HA TYR 37 HA TYR 37 -4.759 45.001 4.924 303 HB2 TYR 37 HB2 TYR 37 -7.017 43.115 4.174 304 HB3 TYR 37 HB1 TYR 37 -6.930 44.783 3.631 305 HD1 TYR 37 HD2 TYR 37 -4.802 41.688 3.638 306 HD2 TYR 37 HD1 TYR 37 -6.063 45.171 1.532 307 HE1 TYR 37 HE2 TYR 37 -3.502 40.972 1.678 308 HE2 TYR 37 HE1 TYR 37 -4.768 44.460 -0.430 309 HH TYR 37 HH TYR 37 -2.897 43.059 -0.979 310 H SER 38 HN SER 38 -5.661 46.721 5.987 311 HA SER 38 HA SER 38 -7.961 46.202 7.759 312 HB2 SER 38 HB2 SER 38 -6.941 47.847 9.364 313 HB3 SER 38 HB1 SER 38 -6.018 46.356 9.182 314 HG SER 38 HG SER 38 -4.653 48.156 9.100 315 H CYS 39 HN CYS 39 -9.319 48.026 8.179 316 HA CYS 39 HA CYS 39 -8.999 50.293 6.317 317 HB2 CYS 39 HB2 CYS 39 -10.751 48.857 5.430 318 HB3 CYS 39 HB1 CYS 39 -11.550 48.811 6.986 319 H GLY 40 HN GLY 40 -9.036 52.215 7.329 320 HA2 GLY 40 HA2 GLY 40 -10.077 52.572 9.975 321 HA3 GLY 40 HA1 GLY 40 -9.659 53.848 8.833 322 H ARG 41 HN ARG 41 -11.861 54.351 10.195 323 HA ARG 41 HA ARG 41 -13.910 55.208 9.806 324 HB2 ARG 41 HB2 ARG 41 -13.686 53.915 7.075 325 HB3 ARG 41 HB1 ARG 41 -14.994 54.977 7.578 326 HG2 ARG 41 HG2 ARG 41 -12.081 55.747 7.390 327 HG3 ARG 41 HG1 ARG 41 -13.335 56.152 6.216 328 HD2 ARG 41 HD2 ARG 41 -14.538 57.407 7.962 329 HD3 ARG 41 HD1 ARG 41 -13.255 57.025 9.108 330 HE ARG 41 HE ARG 41 -11.753 58.297 7.553 331 HH11 ARG 41 HH11 ARG 41 -15.192 58.945 7.627 332 HH12 ARG 41 HH12 ARG 41 -15.021 60.608 7.171 333 HH21 ARG 41 HH21 ARG 41 -11.522 60.487 6.963 334 HH22 ARG 41 HH22 ARG 41 -12.931 61.486 6.780 335 H CYS 42 HN CYS 42 -13.705 51.857 8.459 336 HA CYS 42 HA CYS 42 -16.035 51.282 10.165 337 HB2 CYS 42 HB2 CYS 42 -17.009 49.860 8.550 338 HB3 CYS 42 HB1 CYS 42 -16.493 51.281 7.650 339 H GLY 43 HN GLY 43 -12.810 50.603 9.722 340 HA2 GLY 43 HA2 GLY 43 -11.450 49.176 10.905 341 HA3 GLY 43 HA1 GLY 43 -12.869 48.661 11.801 342 H TYR 44 HN TYR 44 -13.172 48.341 8.429 343 HA TYR 44 HA TYR 44 -13.579 45.560 8.538 344 HB2 TYR 44 HB2 TYR 44 -14.540 47.103 6.817 345 HB3 TYR 44 HB1 TYR 44 -12.943 47.235 6.087 346 HD1 TYR 44 HD2 TYR 44 -15.752 44.927 6.769 347 HD2 TYR 44 HD1 TYR 44 -12.107 45.519 4.642 348 HE1 TYR 44 HE2 TYR 44 -16.244 42.954 5.389 349 HE2 TYR 44 HE1 TYR 44 -12.594 43.546 3.253 350 HH TYR 44 HH TYR 44 -13.890 41.577 3.248 351 H THR 45 HN THR 45 -12.192 43.878 8.374 352 HA THR 45 HA THR 45 -9.415 44.425 7.586 353 HB THR 45 HB THR 45 -10.266 42.993 10.117 354 HG1 THR 45 HG1 THR 45 -10.309 45.301 10.219 355 HG21 THR 45 HG21 THR 45 -7.493 43.472 8.999 356 HG22 THR 45 HG22 THR 45 -8.305 41.911 9.119 357 HG23 THR 45 HG23 THR 45 -7.860 42.786 10.583 358 H GLU 46 HN GLU 46 -8.696 43.028 6.176 359 HA GLU 46 HA GLU 46 -9.689 40.248 6.155 360 HB2 GLU 46 HB2 GLU 46 -10.084 41.457 4.030 361 HB3 GLU 46 HB1 GLU 46 -8.379 41.867 3.939 362 HG2 GLU 46 HG2 GLU 46 -8.911 40.046 2.428 363 HG3 GLU 46 HG1 GLU 46 -7.810 39.504 3.694 364 H PHE 47 HN PHE 47 -7.925 38.606 5.742 365 HA PHE 47 HA PHE 47 -5.484 39.507 7.133 366 HB2 PHE 47 HB2 PHE 47 -6.750 36.773 6.941 367 HB3 PHE 47 HB1 PHE 47 -5.173 37.067 7.667 368 HD1 PHE 47 HD1 PHE 47 -5.006 38.544 9.675 369 HD2 PHE 47 HD2 PHE 47 -8.747 37.200 8.138 370 HE1 PHE 47 HE1 PHE 47 -6.084 39.100 11.816 371 HE2 PHE 47 HE2 PHE 47 -9.828 37.753 10.279 372 HZ PHE 47 HZ PHE 47 -8.497 38.706 12.119 373 H LYS 48 HN LYS 48 -3.429 38.835 6.472 374 HA LYS 48 HA LYS 48 -3.075 38.582 3.644 375 HB2 LYS 48 HB2 LYS 48 -1.254 38.732 6.005 376 HB3 LYS 48 HB1 LYS 48 -0.606 38.070 4.515 377 HG2 LYS 48 HG2 LYS 48 -1.990 40.734 4.593 378 HG3 LYS 48 HG1 LYS 48 -0.270 40.555 4.944 379 HD2 LYS 48 HD2 LYS 48 0.009 39.466 2.714 380 HD3 LYS 48 HD1 LYS 48 -1.686 39.825 2.371 381 HE2 LYS 48 HE2 LYS 48 -1.281 42.179 2.475 382 HE3 LYS 48 HE1 LYS 48 0.348 41.933 3.097 383 HZ1 LYS 48 HZ1 LYS 48 -0.620 41.224 0.379 384 HZ2 LYS 48 HZ2 LYS 48 0.923 40.883 0.971 385 HZ3 LYS 48 HZ3 LYS 48 0.434 42.488 0.777 386 H LYS 49 HN LYS 49 -4.283 36.701 3.249 387 HA LYS 49 HA LYS 49 -3.564 34.133 4.182 388 HB2 LYS 49 HB2 LYS 49 -4.912 34.987 1.602 389 HB3 LYS 49 HB1 LYS 49 -4.888 33.344 2.240 390 HG2 LYS 49 HG2 LYS 49 -6.266 33.901 4.059 391 HG3 LYS 49 HG1 LYS 49 -5.995 35.630 3.847 392 HD2 LYS 49 HD2 LYS 49 -7.260 35.550 1.732 393 HD3 LYS 49 HD1 LYS 49 -7.555 33.828 1.986 394 HE2 LYS 49 HE2 LYS 49 -8.827 34.283 3.983 395 HE3 LYS 49 HE1 LYS 49 -8.407 35.995 3.913 396 HZ1 LYS 49 HZ1 LYS 49 -10.662 35.486 3.096 397 HZ2 LYS 49 HZ2 LYS 49 -9.988 34.577 1.840 398 HZ3 LYS 49 HZ3 LYS 49 -9.694 36.240 1.934 399 H ALA 50 HN ALA 50 -1.742 33.080 3.812 400 HA ALA 50 HA ALA 50 0.468 34.164 2.668 401 HB1 ALA 50 HB1 ALA 50 -0.093 31.212 2.924 402 HB2 ALA 50 HB2 ALA 50 0.508 32.265 4.205 403 HB3 ALA 50 HB3 ALA 50 1.499 31.963 2.776 404 H LYS 51 HN LYS 51 1.260 34.469 0.721 405 HA LYS 51 HA LYS 51 -0.182 33.819 -1.639 406 HB2 LYS 51 HB2 LYS 51 2.673 34.803 -1.333 407 HB3 LYS 51 HB1 LYS 51 1.739 34.815 -2.823 408 HG2 LYS 51 HG2 LYS 51 1.056 36.372 -0.331 409 HG3 LYS 51 HG1 LYS 51 1.864 37.027 -1.755 410 HD2 LYS 51 HD2 LYS 51 -0.911 35.821 -1.708 411 HD3 LYS 51 HD1 LYS 51 -0.545 37.547 -1.728 412 HE2 LYS 51 HE2 LYS 51 0.574 37.275 -3.904 413 HE3 LYS 51 HE1 LYS 51 0.183 35.555 -3.883 414 HZ1 LYS 51 HZ1 LYS 51 -1.805 37.760 -3.869 415 HZ2 LYS 51 HZ2 LYS 51 -2.156 36.107 -3.913 416 HZ3 LYS 51 HZ3 LYS 51 -1.379 36.842 -5.223 417 H LYS 52 HN LYS 52 2.786 32.618 -0.151 418 HA LYS 52 HA LYS 52 4.184 30.890 -0.627 419 HB2 LYS 52 HB2 LYS 52 1.527 29.525 -1.130 420 HB3 LYS 52 HB1 LYS 52 3.055 28.692 -0.871 421 HG2 LYS 52 HG2 LYS 52 3.196 29.576 1.384 422 HG3 LYS 52 HG1 LYS 52 1.725 30.516 1.132 423 HD2 LYS 52 HD2 LYS 52 1.220 28.507 2.404 424 HD3 LYS 52 HD1 LYS 52 0.459 28.418 0.815 425 HE2 LYS 52 HE2 LYS 52 2.328 26.994 0.035 426 HE3 LYS 52 HE1 LYS 52 3.018 27.045 1.658 427 HZ1 LYS 52 HZ1 LYS 52 1.767 25.030 1.365 428 HZ2 LYS 52 HZ2 LYS 52 0.391 25.893 0.895 429 HZ3 LYS 52 HZ3 LYS 52 0.964 26.015 2.482 430 H SER 53 HN SER 53 1.938 29.529 -2.919 431 HA SER 53 HA SER 53 2.721 30.792 -5.259 432 HB2 SER 53 HB2 SER 53 4.203 29.043 -6.268 433 HB3 SER 53 HB1 SER 53 4.954 29.901 -4.923 434 HG SER 53 HG SER 53 4.637 28.151 -3.623 435 H LYS 54 HN LYS 54 2.008 27.535 -3.949 436 HA LYS 54 HA LYS 54 -0.541 27.617 -5.314 437 HB2 LYS 54 HB2 LYS 54 -0.329 25.573 -6.560 438 HB3 LYS 54 HB1 LYS 54 0.973 26.645 -7.039 439 HG2 LYS 54 HG2 LYS 54 1.296 24.367 -5.089 440 HG3 LYS 54 HG1 LYS 54 1.607 24.242 -6.818 441 HD2 LYS 54 HD2 LYS 54 3.016 26.138 -4.932 442 HD3 LYS 54 HD1 LYS 54 3.659 24.588 -5.479 443 HE2 LYS 54 HE2 LYS 54 3.571 25.399 -7.807 444 HE3 LYS 54 HE1 LYS 54 2.983 26.958 -7.229 445 HZ1 LYS 54 HZ1 LYS 54 5.632 25.732 -6.702 446 HZ2 LYS 54 HZ2 LYS 54 5.067 27.102 -5.899 447 HZ3 LYS 54 HZ3 LYS 54 5.307 27.148 -7.570 448 H SER 55 HN SER 55 -1.838 27.270 -3.671 449 HA SER 55 HA SER 55 -2.813 26.414 -1.821 450 HB2 SER 55 HB2 SER 55 -1.678 23.831 -2.929 451 HB3 SER 55 HB1 SER 55 -2.997 23.959 -1.765 452 HG SER 55 HG SER 55 -4.227 25.021 -3.333 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 2.639 15.792 4.922 2 H2 MET 1 HT2 MET 1 2.303 16.380 3.373 3 H3 MET 1 HT3 MET 1 2.868 14.799 3.575 4 HA MET 1 HA MET 1 0.878 14.141 4.685 5 HB2 MET 1 HB2 MET 1 0.051 17.028 4.270 6 HB3 MET 1 HB1 MET 1 -1.041 15.751 4.778 7 HG2 MET 1 HG2 MET 1 0.254 15.426 6.812 8 HG3 MET 1 HG1 MET 1 1.382 16.680 6.303 9 HE1 MET 1 HE1 MET 1 -0.144 16.648 9.139 10 HE2 MET 1 HE2 MET 1 -0.559 18.356 9.280 11 HE3 MET 1 HE3 MET 1 1.022 17.882 8.659 12 H GLN 2 HN GLN 2 -0.534 13.050 3.362 13 HA GLN 2 HA GLN 2 -0.340 13.525 0.533 14 HB2 GLN 2 HB2 GLN 2 -0.655 11.247 1.782 15 HB3 GLN 2 HB1 GLN 2 -2.360 11.670 1.788 16 HG2 GLN 2 HG2 GLN 2 -0.604 11.281 -0.636 17 HG3 GLN 2 HG1 GLN 2 -1.871 10.200 -0.065 18 HE21 GLN 2 HE21 GLN 2 -1.152 13.142 -1.745 19 HE22 GLN 2 HE22 GLN 2 -2.750 13.447 -2.329 20 H LYS 3 HN LYS 3 -1.123 15.700 0.545 21 HA LYS 3 HA LYS 3 -4.051 15.957 0.812 22 HB2 LYS 3 HB2 LYS 3 -1.854 18.038 0.743 23 HB3 LYS 3 HB1 LYS 3 -3.562 18.437 0.658 24 HG2 LYS 3 HG2 LYS 3 -3.899 17.441 2.876 25 HG3 LYS 3 HG1 LYS 3 -2.172 17.071 2.962 26 HD2 LYS 3 HD2 LYS 3 -1.623 19.434 2.846 27 HD3 LYS 3 HD1 LYS 3 -3.321 19.850 2.615 28 HE2 LYS 3 HE2 LYS 3 -3.841 19.028 4.849 29 HE3 LYS 3 HE1 LYS 3 -2.159 18.547 5.079 30 HZ1 LYS 3 HZ1 LYS 3 -2.647 20.677 6.122 31 HZ2 LYS 3 HZ2 LYS 3 -3.101 21.330 4.631 32 HZ3 LYS 3 HZ3 LYS 3 -1.498 20.852 4.896 33 H ARG 4 HN ARG 4 -5.007 17.498 -0.849 34 HA ARG 4 HA ARG 4 -4.241 16.758 -3.508 35 HB2 ARG 4 HB2 ARG 4 -6.181 18.881 -2.541 36 HB3 ARG 4 HB1 ARG 4 -6.001 18.362 -4.214 37 HG2 ARG 4 HG2 ARG 4 -6.672 16.070 -3.530 38 HG3 ARG 4 HG1 ARG 4 -6.958 16.679 -1.898 39 HD2 ARG 4 HD2 ARG 4 -8.661 18.199 -2.744 40 HD3 ARG 4 HD1 ARG 4 -8.347 17.666 -4.396 41 HE ARG 4 HE ARG 4 -9.728 16.168 -2.292 42 HH11 ARG 4 HH11 ARG 4 -8.482 16.243 -5.570 43 HH12 ARG 4 HH12 ARG 4 -9.457 14.910 -6.100 44 HH21 ARG 4 HH21 ARG 4 -10.998 14.420 -2.983 45 HH22 ARG 4 HH22 ARG 4 -10.889 13.865 -4.625 46 H GLU 5 HN GLU 5 -2.155 17.391 -3.796 47 HA GLU 5 HA GLU 5 -0.895 19.651 -2.878 48 HB2 GLU 5 HB2 GLU 5 0.809 19.246 -4.603 49 HB3 GLU 5 HB1 GLU 5 0.303 17.744 -3.840 50 HG2 GLU 5 HG2 GLU 5 -1.152 17.272 -5.769 51 HG3 GLU 5 HG1 GLU 5 -0.597 18.759 -6.533 52 H LEU 6 HN LEU 6 -2.524 19.203 -6.003 53 HA LEU 6 HA LEU 6 -3.025 20.636 -7.701 54 HB2 LEU 6 HB2 LEU 6 -3.570 22.469 -5.351 55 HB3 LEU 6 HB1 LEU 6 -4.150 22.728 -6.985 56 HG LEU 6 HG LEU 6 -4.929 20.433 -5.171 57 HD11 LEU 6 HD11 LEU 6 -7.138 21.480 -5.158 58 HD12 LEU 6 HD12 LEU 6 -6.518 22.819 -6.123 59 HD13 LEU 6 HD13 LEU 6 -5.915 22.557 -4.485 60 HD21 LEU 6 HD21 LEU 6 -5.880 21.110 -7.959 61 HD22 LEU 6 HD22 LEU 6 -6.546 19.851 -6.919 62 HD23 LEU 6 HD23 LEU 6 -4.889 19.722 -7.503 63 H TYR 7 HN TYR 7 -2.752 23.410 -7.979 64 HA TYR 7 HA TYR 7 0.137 23.878 -7.582 65 HB2 TYR 7 HB2 TYR 7 -1.628 24.710 -9.903 66 HB3 TYR 7 HB1 TYR 7 0.013 25.305 -9.656 67 HD1 TYR 7 HD1 TYR 7 -2.022 22.376 -10.571 68 HD2 TYR 7 HD2 TYR 7 1.929 23.864 -10.023 69 HE1 TYR 7 HE1 TYR 7 -1.120 20.389 -11.709 70 HE2 TYR 7 HE2 TYR 7 2.835 21.888 -11.162 71 HH TYR 7 HH TYR 7 2.242 19.631 -11.696 72 H GLU 8 HN GLU 8 -3.043 24.899 -7.041 73 HA GLU 8 HA GLU 8 -3.946 26.521 -5.764 74 HB2 GLU 8 HB2 GLU 8 -1.075 27.148 -5.029 75 HB3 GLU 8 HB1 GLU 8 -2.490 27.820 -4.227 76 HG2 GLU 8 HG2 GLU 8 -3.162 25.600 -3.497 77 HG3 GLU 8 HG1 GLU 8 -1.801 24.884 -4.357 78 H ILE 9 HN ILE 9 -4.814 28.410 -6.294 79 HA ILE 9 HA ILE 9 -3.847 29.824 -8.583 80 HB ILE 9 HB ILE 9 -5.821 31.335 -8.145 81 HG12 ILE 9 HG12 ILE 9 -6.344 29.349 -5.902 82 HG13 ILE 9 HG11 ILE 9 -5.976 31.059 -5.704 83 HG21 ILE 9 HG21 ILE 9 -7.479 29.644 -8.785 84 HG22 ILE 9 HG22 ILE 9 -6.371 28.368 -8.285 85 HG23 ILE 9 HG23 ILE 9 -5.957 29.412 -9.645 86 HD11 ILE 9 HD11 ILE 9 -8.433 29.927 -7.021 87 HD12 ILE 9 HD12 ILE 9 -8.066 31.640 -6.817 88 HD13 ILE 9 HD13 ILE 9 -8.340 30.624 -5.403 89 H ALA 10 HN ALA 10 -1.743 30.292 -7.511 90 HA ALA 10 HA ALA 10 -1.755 33.010 -6.480 91 HB1 ALA 10 HB1 ALA 10 -1.902 31.654 -4.437 92 HB2 ALA 10 HB2 ALA 10 -0.347 32.479 -4.547 93 HB3 ALA 10 HB3 ALA 10 -0.461 30.760 -4.925 94 H ASP 11 HN ASP 11 -0.808 31.241 -8.808 95 HA ASP 11 HA ASP 11 2.059 31.443 -8.736 96 HB2 ASP 11 HB2 ASP 11 1.899 30.780 -11.163 97 HB3 ASP 11 HB1 ASP 11 1.155 29.652 -10.039 98 H GLY 12 HN GLY 12 3.351 32.956 -9.620 99 HA2 GLY 12 HA2 GLY 12 3.748 34.837 -11.090 100 HA3 GLY 12 HA1 GLY 12 2.072 35.318 -10.850 101 H LYS 13 HN LYS 13 4.227 37.069 -10.457 102 HA LYS 13 HA LYS 13 4.746 37.184 -7.592 103 HB2 LYS 13 HB2 LYS 13 5.635 39.053 -9.808 104 HB3 LYS 13 HB1 LYS 13 6.215 39.071 -8.145 105 HG2 LYS 13 HG2 LYS 13 7.108 36.782 -8.471 106 HG3 LYS 13 HG1 LYS 13 6.603 36.858 -10.159 107 HD2 LYS 13 HD2 LYS 13 8.948 37.374 -10.035 108 HD3 LYS 13 HD1 LYS 13 8.075 38.848 -10.450 109 HE2 LYS 13 HE2 LYS 13 8.272 39.670 -8.198 110 HE3 LYS 13 HE1 LYS 13 8.939 38.132 -7.648 111 HZ1 LYS 13 HZ1 LYS 13 10.690 39.733 -7.934 112 HZ2 LYS 13 HZ2 LYS 13 10.230 40.031 -9.532 113 HZ3 LYS 13 HZ3 LYS 13 10.858 38.521 -9.103 114 H LEU 14 HN LEU 14 2.042 37.456 -8.367 115 HA LEU 14 HA LEU 14 1.329 40.256 -8.261 116 HB2 LEU 14 HB2 LEU 14 -0.427 37.796 -8.098 117 HB3 LEU 14 HB1 LEU 14 -0.984 39.444 -8.327 118 HG LEU 14 HG LEU 14 0.692 37.860 -10.286 119 HD11 LEU 14 HD11 LEU 14 -1.606 37.065 -10.170 120 HD12 LEU 14 HD12 LEU 14 -1.304 37.897 -11.695 121 HD13 LEU 14 HD13 LEU 14 -2.203 38.707 -10.410 122 HD21 LEU 14 HD21 LEU 14 -0.473 40.640 -10.523 123 HD22 LEU 14 HD22 LEU 14 0.333 39.746 -11.813 124 HD23 LEU 14 HD23 LEU 14 1.238 40.232 -10.382 125 H VAL 15 HN VAL 15 2.717 40.209 -6.174 126 HA VAL 15 HA VAL 15 1.610 39.223 -3.761 127 HB VAL 15 HB VAL 15 3.458 41.601 -4.158 128 HG11 VAL 15 HG11 VAL 15 2.434 41.593 -1.945 129 HG12 VAL 15 HG12 VAL 15 4.147 41.191 -1.835 130 HG13 VAL 15 HG13 VAL 15 2.934 39.918 -1.701 131 HG21 VAL 15 HG21 VAL 15 4.122 38.692 -3.660 132 HG22 VAL 15 HG22 VAL 15 5.286 40.019 -3.703 133 HG23 VAL 15 HG23 VAL 15 4.391 39.582 -5.159 134 H ARG 16 HN ARG 16 1.415 42.296 -5.456 135 HA ARG 16 HA ARG 16 -0.330 43.556 -3.564 136 HB2 ARG 16 HB2 ARG 16 0.344 44.244 -6.440 137 HB3 ARG 16 HB1 ARG 16 -0.554 45.285 -5.342 138 HG2 ARG 16 HG2 ARG 16 1.343 45.637 -3.965 139 HG3 ARG 16 HG1 ARG 16 2.237 44.329 -4.744 140 HD2 ARG 16 HD2 ARG 16 1.351 46.852 -6.147 141 HD3 ARG 16 HD1 ARG 16 2.953 46.615 -5.444 142 HE ARG 16 HE ARG 16 3.004 44.587 -7.027 143 HH11 ARG 16 HH11 ARG 16 1.423 47.628 -7.746 144 HH12 ARG 16 HH12 ARG 16 1.680 47.500 -9.457 145 HH21 ARG 16 HH21 ARG 16 3.342 44.421 -9.276 146 HH22 ARG 16 HH22 ARG 16 2.776 45.684 -10.323 147 H LYS 17 HN LYS 17 -2.453 43.175 -3.357 148 HA LYS 17 HA LYS 17 -3.862 41.755 -5.499 149 HB2 LYS 17 HB2 LYS 17 -4.650 42.344 -2.641 150 HB3 LYS 17 HB1 LYS 17 -5.634 41.437 -3.783 151 HG2 LYS 17 HG2 LYS 17 -2.841 40.563 -3.098 152 HG3 LYS 17 HG1 LYS 17 -4.208 40.152 -2.068 153 HD2 LYS 17 HD2 LYS 17 -4.215 38.297 -3.388 154 HD3 LYS 17 HD1 LYS 17 -5.231 39.323 -4.389 155 HE2 LYS 17 HE2 LYS 17 -2.250 39.152 -4.795 156 HE3 LYS 17 HE1 LYS 17 -3.354 37.999 -5.532 157 HZ1 LYS 17 HZ1 LYS 17 -3.119 39.560 -7.171 158 HZ2 LYS 17 HZ2 LYS 17 -3.015 40.861 -6.103 159 HZ3 LYS 17 HZ3 LYS 17 -4.514 40.131 -6.403 160 H HIS 18 HN HIS 18 -3.507 44.874 -4.187 161 HA HIS 18 HA HIS 18 -4.400 46.894 -4.725 162 HB2 HIS 18 HB2 HIS 18 -5.586 45.385 -7.073 163 HB3 HIS 18 HB1 HIS 18 -5.543 47.138 -6.912 164 HD1 HIS 18 HD1 HIS 18 -3.347 48.318 -7.459 165 HD2 HIS 18 HD2 HIS 18 -3.085 44.175 -7.627 166 HE1 HIS 18 HE1 HIS 18 -1.127 47.826 -8.525 167 HE2 HIS 18 HE2 HIS 18 -1.097 45.326 -8.808 168 H ARG 19 HN ARG 19 -5.810 44.991 -3.012 169 HA ARG 19 HA ARG 19 -8.618 45.237 -3.541 170 HB2 ARG 19 HB2 ARG 19 -7.079 44.279 -1.121 171 HB3 ARG 19 HB1 ARG 19 -8.837 44.310 -1.192 172 HG2 ARG 19 HG2 ARG 19 -8.760 42.803 -3.145 173 HG3 ARG 19 HG1 ARG 19 -7.004 42.734 -2.997 174 HD2 ARG 19 HD2 ARG 19 -7.191 41.724 -0.802 175 HD3 ARG 19 HD1 ARG 19 -8.946 41.889 -0.844 176 HE ARG 19 HE ARG 19 -8.011 40.380 -3.064 177 HH11 ARG 19 HH11 ARG 19 -8.657 40.152 0.377 178 HH12 ARG 19 HH12 ARG 19 -8.944 38.437 0.332 179 HH21 ARG 19 HH21 ARG 19 -8.396 38.123 -3.112 180 HH22 ARG 19 HH22 ARG 19 -8.793 37.294 -1.636 181 H PHE 20 HN PHE 20 -9.828 46.925 -3.164 182 HA PHE 20 HA PHE 20 -9.098 48.817 -1.022 183 HB2 PHE 20 HB2 PHE 20 -11.000 49.182 -3.362 184 HB3 PHE 20 HB1 PHE 20 -10.668 50.389 -2.125 185 HD1 PHE 20 HD2 PHE 20 -8.336 51.324 -1.931 186 HD2 PHE 20 HD1 PHE 20 -9.594 48.960 -5.247 187 HE1 PHE 20 HE2 PHE 20 -6.446 52.181 -3.257 188 HE2 PHE 20 HE1 PHE 20 -7.709 49.813 -6.575 189 HZ PHE 20 HZ PHE 20 -6.131 51.428 -5.582 190 H CYS 21 HN CYS 21 -11.146 49.761 0.088 191 HA CYS 21 HA CYS 21 -12.605 47.478 1.124 192 HB2 CYS 21 HB2 CYS 21 -11.730 49.315 2.576 193 HB3 CYS 21 HB1 CYS 21 -12.884 50.409 1.827 194 HA PRO 22 HA PRO 22 -15.484 47.695 -2.259 195 HB2 PRO 22 HB2 PRO 22 -17.355 46.517 -0.249 196 HB3 PRO 22 HB1 PRO 22 -16.989 45.987 -1.893 197 HG2 PRO 22 HG2 PRO 22 -15.983 44.765 0.285 198 HG3 PRO 22 HG1 PRO 22 -15.098 44.852 -1.246 199 HD2 PRO 22 HD2 PRO 22 -14.597 46.253 1.305 200 HD3 PRO 22 HD1 PRO 22 -13.482 45.919 -0.029 201 H ARG 23 HN ARG 23 -16.554 48.675 0.978 202 HA ARG 23 HA ARG 23 -18.757 50.196 -0.114 203 HB2 ARG 23 HB2 ARG 23 -17.810 49.976 2.749 204 HB3 ARG 23 HB1 ARG 23 -19.340 50.664 2.212 205 HG2 ARG 23 HG2 ARG 23 -20.029 48.471 1.360 206 HG3 ARG 23 HG1 ARG 23 -18.492 47.783 1.885 207 HD2 ARG 23 HD2 ARG 23 -19.076 48.500 4.221 208 HD3 ARG 23 HD1 ARG 23 -20.675 48.935 3.620 209 HE ARG 23 HE ARG 23 -20.146 46.287 2.873 210 HH11 ARG 23 HH11 ARG 23 -20.786 48.178 5.747 211 HH12 ARG 23 HH12 ARG 23 -21.396 46.831 6.653 212 HH21 ARG 23 HH21 ARG 23 -20.963 44.509 4.058 213 HH22 ARG 23 HH22 ARG 23 -21.491 44.739 5.695 214 H CYS 24 HN CYS 24 -15.729 50.911 1.616 215 HA CYS 24 HA CYS 24 -16.208 53.786 1.402 216 HB2 CYS 24 HB2 CYS 24 -13.692 52.540 2.489 217 HB3 CYS 24 HB1 CYS 24 -14.392 54.107 2.866 218 H GLY 25 HN GLY 25 -15.101 51.592 -0.724 219 HA2 GLY 25 HA2 GLY 25 -12.515 51.884 -1.378 220 HA3 GLY 25 HA1 GLY 25 -13.755 51.696 -2.598 221 HA PRO 26 HA PRO 26 -12.888 55.735 -4.248 222 HB2 PRO 26 HB2 PRO 26 -15.755 56.482 -3.963 223 HB3 PRO 26 HB1 PRO 26 -14.739 56.450 -5.409 224 HG2 PRO 26 HG2 PRO 26 -16.605 54.583 -5.005 225 HG3 PRO 26 HG1 PRO 26 -15.038 54.169 -5.729 226 HD2 PRO 26 HD2 PRO 26 -16.000 53.739 -2.920 227 HD3 PRO 26 HD1 PRO 26 -15.040 52.665 -3.960 228 H GLY 27 HN GLY 27 -11.746 56.298 -2.284 229 HA2 GLY 27 HA2 GLY 27 -11.694 58.651 -1.327 230 HA3 GLY 27 HA1 GLY 27 -13.208 58.201 -0.556 231 H VAL 28 HN VAL 28 -12.161 55.401 -0.155 232 HA VAL 28 HA VAL 28 -10.063 55.898 1.849 233 HB VAL 28 HB VAL 28 -12.453 54.136 2.431 234 HG11 VAL 28 HG11 VAL 28 -10.207 55.120 4.200 235 HG12 VAL 28 HG12 VAL 28 -10.428 53.477 3.598 236 HG13 VAL 28 HG13 VAL 28 -11.587 54.160 4.738 237 HG21 VAL 28 HG21 VAL 28 -13.208 55.873 4.011 238 HG22 VAL 28 HG22 VAL 28 -13.216 56.458 2.348 239 HG23 VAL 28 HG23 VAL 28 -11.924 56.941 3.446 240 H PHE 29 HN PHE 29 -8.444 54.769 0.992 241 HA PHE 29 HA PHE 29 -8.666 52.375 -0.483 242 HB2 PHE 29 HB2 PHE 29 -6.246 52.223 -0.264 243 HB3 PHE 29 HB1 PHE 29 -6.697 53.896 -0.569 244 HD1 PHE 29 HD2 PHE 29 -6.870 55.458 1.481 245 HD2 PHE 29 HD1 PHE 29 -4.897 51.679 1.567 246 HE1 PHE 29 HE2 PHE 29 -5.632 56.151 3.491 247 HE2 PHE 29 HE1 PHE 29 -3.659 52.371 3.576 248 HZ PHE 29 HZ PHE 29 -4.023 54.608 4.541 249 H LEU 30 HN LEU 30 -7.775 50.259 0.190 250 HA LEU 30 HA LEU 30 -8.368 49.647 3.010 251 HB2 LEU 30 HB2 LEU 30 -9.557 48.321 1.280 252 HB3 LEU 30 HB1 LEU 30 -8.014 47.787 0.644 253 HG LEU 30 HG LEU 30 -7.552 46.637 2.804 254 HD11 LEU 30 HD11 LEU 30 -8.931 48.013 4.270 255 HD12 LEU 30 HD12 LEU 30 -9.376 46.312 4.400 256 HD13 LEU 30 HD13 LEU 30 -10.390 47.418 3.475 257 HD21 LEU 30 HD21 LEU 30 -9.131 44.796 2.458 258 HD22 LEU 30 HD22 LEU 30 -8.510 45.404 0.925 259 HD23 LEU 30 HD23 LEU 30 -10.134 45.842 1.451 260 H ALA 31 HN ALA 31 -6.586 49.841 4.226 261 HA ALA 31 HA ALA 31 -3.967 49.962 3.280 262 HB1 ALA 31 HB1 ALA 31 -4.900 49.262 6.067 263 HB2 ALA 31 HB2 ALA 31 -4.659 50.892 5.437 264 HB3 ALA 31 HB3 ALA 31 -3.281 49.806 5.623 265 H GLU 32 HN GLU 32 -3.373 48.263 1.994 266 HA GLU 32 HA GLU 32 -3.681 45.536 2.932 267 HB2 GLU 32 HB2 GLU 32 -4.035 46.171 0.525 268 HB3 GLU 32 HB1 GLU 32 -2.317 46.531 0.413 269 HG2 GLU 32 HG2 GLU 32 -1.759 44.227 0.875 270 HG3 GLU 32 HG1 GLU 32 -3.453 43.836 1.143 271 H HIS 33 HN HIS 33 -2.376 45.450 4.716 272 HA HIS 33 HA HIS 33 0.482 46.008 4.493 273 HB2 HIS 33 HB2 HIS 33 -1.115 44.860 6.812 274 HB3 HIS 33 HB1 HIS 33 0.575 45.339 6.869 275 HD1 HIS 33 HD1 HIS 33 1.080 47.770 7.303 276 HD2 HIS 33 HD2 HIS 33 -2.960 47.035 6.680 277 HE1 HIS 33 HE1 HIS 33 -0.100 49.878 7.987 278 HE2 HIS 33 HE2 HIS 33 -2.551 49.346 7.762 279 H ALA 34 HN ALA 34 2.075 44.384 4.716 280 HA ALA 34 HA ALA 34 1.615 41.900 3.525 281 HB1 ALA 34 HB1 ALA 34 3.841 42.908 3.694 282 HB2 ALA 34 HB2 ALA 34 3.835 41.271 4.352 283 HB3 ALA 34 HB3 ALA 34 3.828 42.660 5.438 284 H ASP 35 HN ASP 35 1.101 42.988 6.752 285 HA ASP 35 HA ASP 35 0.892 40.357 7.921 286 HB2 ASP 35 HB2 ASP 35 0.199 43.112 8.969 287 HB3 ASP 35 HB1 ASP 35 -0.013 41.637 9.905 288 H ARG 36 HN ARG 36 -1.351 42.857 6.738 289 HA ARG 36 HA ARG 36 -3.490 41.092 6.306 290 HB2 ARG 36 HB2 ARG 36 -5.021 41.711 8.122 291 HB3 ARG 36 HB1 ARG 36 -3.580 40.930 8.761 292 HG2 ARG 36 HG2 ARG 36 -2.674 43.095 9.410 293 HG3 ARG 36 HG1 ARG 36 -4.068 43.912 8.704 294 HD2 ARG 36 HD2 ARG 36 -4.421 43.806 11.060 295 HD3 ARG 36 HD1 ARG 36 -5.515 42.640 10.314 296 HE ARG 36 HE ARG 36 -3.153 41.307 11.006 297 HH11 ARG 36 HH11 ARG 36 -5.861 42.876 12.593 298 HH12 ARG 36 HH12 ARG 36 -5.748 41.894 14.017 299 HH21 ARG 36 HH21 ARG 36 -3.010 40.030 12.903 300 HH22 ARG 36 HH22 ARG 36 -4.137 40.297 14.197 301 H TYR 37 HN TYR 37 -5.609 42.315 6.047 302 HA TYR 37 HA TYR 37 -5.155 44.930 4.800 303 HB2 TYR 37 HB2 TYR 37 -7.671 43.226 4.779 304 HB3 TYR 37 HB1 TYR 37 -7.312 44.597 3.737 305 HD1 TYR 37 HD2 TYR 37 -6.417 41.079 4.476 306 HD2 TYR 37 HD1 TYR 37 -6.088 44.302 1.712 307 HE1 TYR 37 HE2 TYR 37 -5.509 39.534 2.793 308 HE2 TYR 37 HE1 TYR 37 -5.182 42.763 0.023 309 HH TYR 37 HH TYR 37 -5.327 39.407 0.305 310 H SER 38 HN SER 38 -6.208 46.798 5.591 311 HA SER 38 HA SER 38 -8.029 46.474 7.863 312 HB2 SER 38 HB2 SER 38 -5.752 46.637 8.822 313 HB3 SER 38 HB1 SER 38 -5.527 48.181 8.003 314 HG SER 38 HG SER 38 -7.264 47.527 10.133 315 H CYS 39 HN CYS 39 -9.422 48.179 8.222 316 HA CYS 39 HA CYS 39 -9.149 50.607 6.583 317 HB2 CYS 39 HB2 CYS 39 -10.699 49.148 5.366 318 HB3 CYS 39 HB1 CYS 39 -11.667 48.938 6.811 319 H GLY 40 HN GLY 40 -8.518 51.657 8.509 320 HA2 GLY 40 HA2 GLY 40 -10.065 51.580 10.908 321 HA3 GLY 40 HA1 GLY 40 -8.783 52.721 10.531 322 H ARG 41 HN ARG 41 -12.135 51.977 9.700 323 HA ARG 41 HA ARG 41 -13.030 54.655 10.149 324 HB2 ARG 41 HB2 ARG 41 -12.737 53.640 7.327 325 HB3 ARG 41 HB1 ARG 41 -14.057 54.724 7.729 326 HG2 ARG 41 HG2 ARG 41 -11.113 55.319 8.022 327 HG3 ARG 41 HG1 ARG 41 -12.195 55.944 6.776 328 HD2 ARG 41 HD2 ARG 41 -13.573 56.925 8.671 329 HD3 ARG 41 HD1 ARG 41 -12.218 56.534 9.730 330 HE ARG 41 HE ARG 41 -11.707 58.177 7.358 331 HH11 ARG 41 HH11 ARG 41 -11.980 57.935 10.833 332 HH12 ARG 41 HH12 ARG 41 -11.291 59.498 11.123 333 HH21 ARG 41 HH21 ARG 41 -10.825 60.249 7.732 334 HH22 ARG 41 HH22 ARG 41 -10.637 60.816 9.364 335 H CYS 42 HN CYS 42 -13.791 51.590 8.491 336 HA CYS 42 HA CYS 42 -16.392 51.566 9.899 337 HB2 CYS 42 HB2 CYS 42 -17.330 50.263 8.119 338 HB3 CYS 42 HB1 CYS 42 -16.507 51.627 7.372 339 H GLY 43 HN GLY 43 -13.349 50.064 9.583 340 HA2 GLY 43 HA2 GLY 43 -12.498 48.507 11.089 341 HA3 GLY 43 HA1 GLY 43 -14.135 48.077 11.555 342 H TYR 44 HN TYR 44 -13.243 48.176 8.182 343 HA TYR 44 HA TYR 44 -13.682 45.337 7.917 344 HB2 TYR 44 HB2 TYR 44 -14.366 46.965 6.130 345 HB3 TYR 44 HB1 TYR 44 -12.663 47.282 5.811 346 HD1 TYR 44 HD1 TYR 44 -11.255 45.560 4.733 347 HD2 TYR 44 HD2 TYR 44 -15.412 44.913 5.394 348 HE1 TYR 44 HE1 TYR 44 -11.206 43.671 3.158 349 HE2 TYR 44 HE2 TYR 44 -15.371 43.022 3.825 350 HH TYR 44 HH TYR 44 -12.508 41.604 2.714 351 H THR 45 HN THR 45 -12.157 43.996 8.601 352 HA THR 45 HA THR 45 -9.365 44.453 7.842 353 HB THR 45 HB THR 45 -10.250 43.752 10.662 354 HG1 THR 45 HG1 THR 45 -9.206 45.881 11.054 355 HG21 THR 45 HG21 THR 45 -7.489 44.300 9.548 356 HG22 THR 45 HG22 THR 45 -8.103 42.722 10.045 357 HG23 THR 45 HG23 THR 45 -7.880 43.999 11.241 358 H GLU 46 HN GLU 46 -8.162 42.562 7.602 359 HA GLU 46 HA GLU 46 -9.197 39.964 8.251 360 HB2 GLU 46 HB2 GLU 46 -10.536 40.518 6.233 361 HB3 GLU 46 HB1 GLU 46 -9.052 40.779 5.329 362 HG2 GLU 46 HG2 GLU 46 -10.047 38.597 4.850 363 HG3 GLU 46 HG1 GLU 46 -8.449 38.442 5.581 364 H PHE 47 HN PHE 47 -7.570 38.383 8.104 365 HA PHE 47 HA PHE 47 -4.904 39.347 8.172 366 HB2 PHE 47 HB2 PHE 47 -6.025 36.546 8.068 367 HB3 PHE 47 HB1 PHE 47 -4.304 36.877 8.201 368 HD1 PHE 47 HD2 PHE 47 -3.388 37.907 10.224 369 HD2 PHE 47 HD1 PHE 47 -7.497 36.823 9.943 370 HE1 PHE 47 HE2 PHE 47 -3.593 38.060 12.671 371 HE2 PHE 47 HE1 PHE 47 -7.707 36.974 12.390 372 HZ PHE 47 HZ PHE 47 -5.754 37.592 13.755 373 H LYS 48 HN LYS 48 -3.131 38.815 6.789 374 HA LYS 48 HA LYS 48 -3.721 38.897 4.003 375 HB2 LYS 48 HB2 LYS 48 -1.333 39.074 5.658 376 HB3 LYS 48 HB1 LYS 48 -1.043 38.084 4.235 377 HG2 LYS 48 HG2 LYS 48 -2.142 40.895 4.208 378 HG3 LYS 48 HG1 LYS 48 -0.471 40.440 3.866 379 HD2 LYS 48 HD2 LYS 48 -1.227 39.107 1.947 380 HD3 LYS 48 HD1 LYS 48 -2.900 39.550 2.296 381 HE2 LYS 48 HE2 LYS 48 -2.351 41.910 1.905 382 HE3 LYS 48 HE1 LYS 48 -0.681 41.463 1.554 383 HZ1 LYS 48 HZ1 LYS 48 -1.922 41.764 -0.479 384 HZ2 LYS 48 HZ2 LYS 48 -3.074 40.623 0.008 385 HZ3 LYS 48 HZ3 LYS 48 -1.489 40.135 -0.316 386 H LYS 49 HN LYS 49 -5.110 37.089 3.860 387 HA LYS 49 HA LYS 49 -3.662 34.645 3.184 388 HB2 LYS 49 HB2 LYS 49 -4.497 34.372 5.520 389 HB3 LYS 49 HB1 LYS 49 -6.132 34.669 4.950 390 HG2 LYS 49 HG2 LYS 49 -6.032 32.643 3.583 391 HG3 LYS 49 HG1 LYS 49 -4.379 32.351 4.137 392 HD2 LYS 49 HD2 LYS 49 -5.177 32.160 6.445 393 HD3 LYS 49 HD1 LYS 49 -6.827 32.485 5.911 394 HE2 LYS 49 HE2 LYS 49 -6.749 30.441 4.530 395 HE3 LYS 49 HE1 LYS 49 -5.129 30.110 5.144 396 HZ1 LYS 49 HZ1 LYS 49 -6.860 28.873 6.329 397 HZ2 LYS 49 HZ2 LYS 49 -7.566 30.327 6.826 398 HZ3 LYS 49 HZ3 LYS 49 -6.016 29.915 7.360 399 H ALA 50 HN ALA 50 -4.143 35.841 1.138 400 HA ALA 50 HA ALA 50 -6.918 35.833 0.269 401 HB1 ALA 50 HB1 ALA 50 -4.414 36.617 -1.231 402 HB2 ALA 50 HB2 ALA 50 -5.467 37.714 -0.338 403 HB3 ALA 50 HB3 ALA 50 -6.075 36.880 -1.768 404 H LYS 51 HN LYS 51 -4.650 33.513 0.566 405 HA LYS 51 HA LYS 51 -4.602 32.082 -1.813 406 HB2 LYS 51 HB2 LYS 51 -4.771 30.947 0.992 407 HB3 LYS 51 HB1 LYS 51 -4.203 30.093 -0.440 408 HG2 LYS 51 HG2 LYS 51 -2.417 31.909 -0.617 409 HG3 LYS 51 HG1 LYS 51 -2.891 32.372 1.018 410 HD2 LYS 51 HD2 LYS 51 -0.978 30.870 1.088 411 HD3 LYS 51 HD1 LYS 51 -2.393 30.082 1.793 412 HE2 LYS 51 HE2 LYS 51 -2.773 28.872 -0.291 413 HE3 LYS 51 HE1 LYS 51 -1.403 29.692 -1.037 414 HZ1 LYS 51 HZ1 LYS 51 -0.847 27.452 -0.278 415 HZ2 LYS 51 HZ2 LYS 51 -1.229 27.883 1.313 416 HZ3 LYS 51 HZ3 LYS 51 0.070 28.627 0.526 417 H LYS 52 HN LYS 52 -6.119 31.058 -2.955 418 HA LYS 52 HA LYS 52 -8.142 30.322 -3.661 419 HB2 LYS 52 HB2 LYS 52 -8.095 28.712 -1.811 420 HB3 LYS 52 HB1 LYS 52 -8.712 29.931 -0.705 421 HG2 LYS 52 HG2 LYS 52 -10.827 29.989 -1.926 422 HG3 LYS 52 HG1 LYS 52 -10.204 28.806 -3.078 423 HD2 LYS 52 HD2 LYS 52 -11.656 27.753 -1.395 424 HD3 LYS 52 HD1 LYS 52 -10.002 27.145 -1.298 425 HE2 LYS 52 HE2 LYS 52 -10.867 27.529 0.931 426 HE3 LYS 52 HE1 LYS 52 -9.577 28.680 0.593 427 HZ1 LYS 52 HZ1 LYS 52 -12.482 29.264 0.419 428 HZ2 LYS 52 HZ2 LYS 52 -11.233 30.370 0.152 429 HZ3 LYS 52 HZ3 LYS 52 -11.468 29.718 1.692 430 H SER 53 HN SER 53 -8.052 32.656 -4.186 431 HA SER 53 HA SER 53 -9.380 34.601 -2.628 432 HB2 SER 53 HB2 SER 53 -8.914 34.711 -5.616 433 HB3 SER 53 HB1 SER 53 -9.020 36.062 -4.490 434 HG SER 53 HG SER 53 -7.103 34.922 -3.468 435 H LYS 54 HN LYS 54 -10.339 33.404 -5.845 436 HA LYS 54 HA LYS 54 -12.333 33.022 -6.831 437 HB2 LYS 54 HB2 LYS 54 -12.801 31.439 -5.070 438 HB3 LYS 54 HB1 LYS 54 -13.280 32.727 -3.973 439 HG2 LYS 54 HG2 LYS 54 -15.211 33.229 -5.390 440 HG3 LYS 54 HG1 LYS 54 -14.725 31.952 -6.507 441 HD2 LYS 54 HD2 LYS 54 -15.053 30.273 -4.781 442 HD3 LYS 54 HD1 LYS 54 -15.432 31.528 -3.598 443 HE2 LYS 54 HE2 LYS 54 -17.455 30.428 -4.472 444 HE3 LYS 54 HE1 LYS 54 -17.418 32.151 -4.843 445 HZ1 LYS 54 HZ1 LYS 54 -16.700 31.633 -7.081 446 HZ2 LYS 54 HZ2 LYS 54 -18.137 30.810 -6.736 447 HZ3 LYS 54 HZ3 LYS 54 -16.666 29.979 -6.727 448 H SER 55 HN SER 55 -13.987 34.205 -7.670 449 HA SER 55 HA SER 55 -15.105 36.465 -6.257 450 HB2 SER 55 HB2 SER 55 -13.526 36.865 -8.824 451 HB3 SER 55 HB1 SER 55 -14.525 38.092 -8.042 452 HG SER 55 HG SER 55 -12.981 37.272 -6.148 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 18.105 53.975 2.412 2 H2 MET 1 HT2 MET 1 17.450 54.937 3.635 3 H3 MET 1 HT3 MET 1 19.086 55.074 3.235 4 HA MET 1 HA MET 1 16.803 55.761 1.486 5 HB2 MET 1 HB2 MET 1 17.131 57.359 3.330 6 HB3 MET 1 HB1 MET 1 18.824 57.529 2.893 7 HG2 MET 1 HG2 MET 1 16.539 58.268 1.077 8 HG3 MET 1 HG1 MET 1 17.348 59.400 2.158 9 HE1 MET 1 HE1 MET 1 17.766 60.964 0.028 10 HE2 MET 1 HE2 MET 1 17.035 59.784 -1.057 11 HE3 MET 1 HE3 MET 1 18.629 60.445 -1.418 12 H GLN 2 HN GLN 2 20.314 56.346 1.860 13 HA GLN 2 HA GLN 2 20.676 56.927 -0.883 14 HB2 GLN 2 HB2 GLN 2 22.734 56.156 1.204 15 HB3 GLN 2 HB1 GLN 2 23.087 56.880 -0.361 16 HG2 GLN 2 HG2 GLN 2 21.802 58.879 0.295 17 HG3 GLN 2 HG1 GLN 2 21.525 58.155 1.878 18 HE21 GLN 2 HE21 GLN 2 22.877 60.638 1.171 19 HE22 GLN 2 HE22 GLN 2 24.474 60.520 1.824 20 H LYS 3 HN LYS 3 21.545 54.040 1.038 21 HA LYS 3 HA LYS 3 21.725 52.526 -1.493 22 HB2 LYS 3 HB2 LYS 3 23.082 51.966 1.163 23 HB3 LYS 3 HB1 LYS 3 23.116 50.883 -0.219 24 HG2 LYS 3 HG2 LYS 3 25.161 51.991 -0.313 25 HG3 LYS 3 HG1 LYS 3 24.169 52.825 -1.507 26 HD2 LYS 3 HD2 LYS 3 23.704 54.597 0.153 27 HD3 LYS 3 HD1 LYS 3 24.743 53.765 1.311 28 HE2 LYS 3 HE2 LYS 3 25.994 55.548 0.295 29 HE3 LYS 3 HE1 LYS 3 26.633 54.012 -0.288 30 HZ1 LYS 3 HZ1 LYS 3 26.432 55.550 -2.103 31 HZ2 LYS 3 HZ2 LYS 3 24.806 55.840 -1.756 32 HZ3 LYS 3 HZ3 LYS 3 25.289 54.322 -2.316 33 H ARG 4 HN ARG 4 19.694 51.706 -1.746 34 HA ARG 4 HA ARG 4 18.295 50.542 0.523 35 HB2 ARG 4 HB2 ARG 4 17.489 50.533 -2.396 36 HB3 ARG 4 HB1 ARG 4 16.470 50.120 -1.024 37 HG2 ARG 4 HG2 ARG 4 16.806 52.501 -0.223 38 HG3 ARG 4 HG1 ARG 4 17.519 52.831 -1.805 39 HD2 ARG 4 HD2 ARG 4 14.706 51.974 -1.159 40 HD3 ARG 4 HD1 ARG 4 15.239 53.440 -1.982 41 HE ARG 4 HE ARG 4 16.071 51.723 -3.744 42 HH11 ARG 4 HH11 ARG 4 13.093 51.521 -1.892 43 HH12 ARG 4 HH12 ARG 4 12.282 50.542 -3.070 44 HH21 ARG 4 HH21 ARG 4 14.997 50.439 -5.289 45 HH22 ARG 4 HH22 ARG 4 13.361 49.934 -5.009 46 H GLU 5 HN GLU 5 19.196 48.670 1.177 47 HA GLU 5 HA GLU 5 20.209 46.707 -0.675 48 HB2 GLU 5 HB2 GLU 5 21.222 47.024 1.560 49 HB3 GLU 5 HB1 GLU 5 19.713 46.530 2.313 50 HG2 GLU 5 HG2 GLU 5 21.389 44.744 2.310 51 HG3 GLU 5 HG1 GLU 5 19.942 44.301 1.406 52 H LEU 6 HN LEU 6 17.608 46.723 1.754 53 HA LEU 6 HA LEU 6 15.592 45.706 1.884 54 HB2 LEU 6 HB2 LEU 6 15.695 45.794 -1.138 55 HB3 LEU 6 HB1 LEU 6 14.254 45.594 -0.156 56 HG LEU 6 HG LEU 6 15.994 48.070 -0.293 57 HD11 LEU 6 HD11 LEU 6 14.617 47.756 -2.276 58 HD12 LEU 6 HD12 LEU 6 14.039 49.116 -1.313 59 HD13 LEU 6 HD13 LEU 6 13.181 47.575 -1.265 60 HD21 LEU 6 HD21 LEU 6 14.305 49.115 1.144 61 HD22 LEU 6 HD22 LEU 6 15.110 47.776 1.959 62 HD23 LEU 6 HD23 LEU 6 13.483 47.564 1.309 63 H TYR 7 HN TYR 7 15.858 43.735 2.755 64 HA TYR 7 HA TYR 7 17.185 41.579 1.511 65 HB2 TYR 7 HB2 TYR 7 16.912 41.782 3.972 66 HB3 TYR 7 HB1 TYR 7 15.186 41.476 3.791 67 HD1 TYR 7 HD2 TYR 7 18.529 39.967 3.142 68 HD2 TYR 7 HD1 TYR 7 14.384 39.253 3.807 69 HE1 TYR 7 HE2 TYR 7 18.965 37.555 3.257 70 HE2 TYR 7 HE1 TYR 7 14.816 36.833 3.923 71 HH TYR 7 HH TYR 7 16.518 35.222 3.131 72 H GLU 8 HN GLU 8 13.834 42.596 1.579 73 HA GLU 8 HA GLU 8 12.827 40.178 0.405 74 HB2 GLU 8 HB2 GLU 8 11.580 42.916 0.730 75 HB3 GLU 8 HB1 GLU 8 10.733 41.503 0.109 76 HG2 GLU 8 HG2 GLU 8 10.989 40.351 2.202 77 HG3 GLU 8 HG1 GLU 8 12.012 41.638 2.835 78 H ILE 9 HN ILE 9 13.637 39.671 -1.483 79 HA ILE 9 HA ILE 9 13.592 41.654 -3.671 80 HB ILE 9 HB ILE 9 15.472 39.288 -3.368 81 HG12 ILE 9 HG12 ILE 9 16.023 42.260 -3.093 82 HG13 ILE 9 HG11 ILE 9 16.021 41.089 -1.781 83 HG21 ILE 9 HG21 ILE 9 16.620 40.201 -5.336 84 HG22 ILE 9 HG22 ILE 9 15.394 41.462 -5.465 85 HG23 ILE 9 HG23 ILE 9 14.948 39.772 -5.701 86 HD11 ILE 9 HD11 ILE 9 17.943 41.153 -4.100 87 HD12 ILE 9 HD12 ILE 9 17.934 39.952 -2.810 88 HD13 ILE 9 HD13 ILE 9 18.281 41.640 -2.440 89 H ALA 10 HN ALA 10 12.662 40.994 -5.601 90 HA ALA 10 HA ALA 10 11.842 38.233 -5.971 91 HB1 ALA 10 HB1 ALA 10 9.778 40.438 -5.801 92 HB2 ALA 10 HB2 ALA 10 10.013 39.149 -4.619 93 HB3 ALA 10 HB3 ALA 10 9.470 38.761 -6.251 94 H ASP 11 HN ASP 11 11.316 37.733 -8.089 95 HA ASP 11 HA ASP 11 12.454 39.281 -10.155 96 HB2 ASP 11 HB2 ASP 11 11.474 37.630 -11.669 97 HB3 ASP 11 HB1 ASP 11 12.147 36.811 -10.264 98 H GLY 12 HN GLY 12 9.208 38.882 -8.927 99 HA2 GLY 12 HA2 GLY 12 8.386 41.456 -9.912 100 HA3 GLY 12 HA1 GLY 12 7.584 40.112 -10.726 101 H LYS 13 HN LYS 13 5.845 39.241 -9.788 102 HA LYS 13 HA LYS 13 4.227 38.729 -8.277 103 HB2 LYS 13 HB2 LYS 13 6.433 38.958 -6.212 104 HB3 LYS 13 HB1 LYS 13 4.936 38.052 -6.055 105 HG2 LYS 13 HG2 LYS 13 7.194 37.450 -7.967 106 HG3 LYS 13 HG1 LYS 13 6.801 36.561 -6.495 107 HD2 LYS 13 HD2 LYS 13 4.684 35.855 -7.435 108 HD3 LYS 13 HD1 LYS 13 4.949 36.851 -8.867 109 HE2 LYS 13 HE2 LYS 13 6.660 34.507 -8.018 110 HE3 LYS 13 HE1 LYS 13 5.426 34.466 -9.277 111 HZ1 LYS 13 HZ1 LYS 13 7.920 36.082 -9.302 112 HZ2 LYS 13 HZ2 LYS 13 6.707 36.175 -10.474 113 HZ3 LYS 13 HZ3 LYS 13 7.574 34.738 -10.269 114 H LEU 14 HN LEU 14 4.867 41.529 -8.906 115 HA LEU 14 HA LEU 14 4.467 43.106 -6.554 116 HB2 LEU 14 HB2 LEU 14 4.128 43.855 -9.468 117 HB3 LEU 14 HB1 LEU 14 4.214 44.983 -8.126 118 HG LEU 14 HG LEU 14 6.455 43.168 -9.048 119 HD11 LEU 14 HD11 LEU 14 6.118 46.156 -9.322 120 HD12 LEU 14 HD12 LEU 14 6.014 44.973 -10.627 121 HD13 LEU 14 HD13 LEU 14 7.543 45.224 -9.787 122 HD21 LEU 14 HD21 LEU 14 7.845 44.425 -7.460 123 HD22 LEU 14 HD22 LEU 14 6.556 43.548 -6.642 124 HD23 LEU 14 HD23 LEU 14 6.415 45.288 -6.892 125 H VAL 15 HN VAL 15 2.597 43.781 -5.666 126 HA VAL 15 HA VAL 15 0.179 42.506 -6.271 127 HB VAL 15 HB VAL 15 -0.863 44.230 -4.729 128 HG11 VAL 15 HG11 VAL 15 0.255 43.349 -2.728 129 HG12 VAL 15 HG12 VAL 15 1.579 42.754 -3.729 130 HG13 VAL 15 HG13 VAL 15 -0.037 42.076 -3.917 131 HG21 VAL 15 HG21 VAL 15 2.005 45.171 -4.488 132 HG22 VAL 15 HG22 VAL 15 0.667 45.680 -3.457 133 HG23 VAL 15 HG23 VAL 15 0.662 46.095 -5.171 134 H ARG 16 HN ARG 16 -0.423 42.756 -8.366 135 HA ARG 16 HA ARG 16 -0.667 45.238 -9.718 136 HB2 ARG 16 HB2 ARG 16 -0.486 43.053 -10.868 137 HB3 ARG 16 HB1 ARG 16 -2.065 42.599 -10.245 138 HG2 ARG 16 HG2 ARG 16 -3.079 44.450 -11.516 139 HG3 ARG 16 HG1 ARG 16 -1.487 44.853 -12.168 140 HD2 ARG 16 HD2 ARG 16 -2.772 43.512 -13.756 141 HD3 ARG 16 HD1 ARG 16 -1.344 42.638 -13.199 142 HE ARG 16 HE ARG 16 -3.754 42.080 -11.705 143 HH11 ARG 16 HH11 ARG 16 -1.738 41.110 -14.417 144 HH12 ARG 16 HH12 ARG 16 -2.414 39.514 -14.490 145 HH21 ARG 16 HH21 ARG 16 -4.595 39.984 -11.792 146 HH22 ARG 16 HH22 ARG 16 -4.036 38.872 -13.006 147 H LYS 17 HN LYS 17 -1.972 46.790 -8.991 148 HA LYS 17 HA LYS 17 -3.731 47.930 -8.173 149 HB2 LYS 17 HB2 LYS 17 -5.122 46.913 -9.850 150 HB3 LYS 17 HB1 LYS 17 -5.237 45.420 -8.925 151 HG2 LYS 17 HG2 LYS 17 -6.486 46.606 -7.171 152 HG3 LYS 17 HG1 LYS 17 -6.383 48.092 -8.116 153 HD2 LYS 17 HD2 LYS 17 -7.638 47.045 -9.921 154 HD3 LYS 17 HD1 LYS 17 -7.719 45.538 -9.009 155 HE2 LYS 17 HE2 LYS 17 -8.998 46.662 -7.246 156 HE3 LYS 17 HE1 LYS 17 -8.895 48.184 -8.127 157 HZ1 LYS 17 HZ1 LYS 17 -10.155 47.168 -9.929 158 HZ2 LYS 17 HZ2 LYS 17 -11.018 47.121 -8.475 159 HZ3 LYS 17 HZ3 LYS 17 -10.268 45.721 -9.055 160 H HIS 18 HN HIS 18 -3.489 48.339 -6.086 161 HA HIS 18 HA HIS 18 -3.584 46.385 -4.013 162 HB2 HIS 18 HB2 HIS 18 -3.832 49.404 -3.970 163 HB3 HIS 18 HB1 HIS 18 -3.927 48.427 -2.509 164 HD1 HIS 18 HD1 HIS 18 -1.731 47.164 -1.795 165 HD2 HIS 18 HD2 HIS 18 -1.283 49.865 -4.921 166 HE1 HIS 18 HE1 HIS 18 0.733 47.607 -1.950 167 HE2 HIS 18 HE2 HIS 18 0.946 49.413 -3.692 168 H ARG 19 HN ARG 19 -5.263 45.829 -2.656 169 HA ARG 19 HA ARG 19 -7.872 45.887 -3.766 170 HB2 ARG 19 HB2 ARG 19 -6.872 45.053 -1.034 171 HB3 ARG 19 HB1 ARG 19 -8.544 44.873 -1.548 172 HG2 ARG 19 HG2 ARG 19 -7.826 43.396 -3.373 173 HG3 ARG 19 HG1 ARG 19 -6.149 43.571 -2.846 174 HD2 ARG 19 HD2 ARG 19 -7.189 41.475 -2.050 175 HD3 ARG 19 HD1 ARG 19 -6.662 42.515 -0.726 176 HE ARG 19 HE ARG 19 -9.352 43.078 -1.282 177 HH11 ARG 19 HH11 ARG 19 -7.436 40.419 -0.022 178 HH12 ARG 19 HH12 ARG 19 -8.711 39.847 1.015 179 HH21 ARG 19 HH21 ARG 19 -11.021 42.283 0.071 180 HH22 ARG 19 HH22 ARG 19 -10.721 40.885 1.061 181 H PHE 20 HN PHE 20 -9.606 47.124 -3.333 182 HA PHE 20 HA PHE 20 -9.282 49.382 -1.481 183 HB2 PHE 20 HB2 PHE 20 -11.352 48.845 -3.632 184 HB3 PHE 20 HB1 PHE 20 -11.390 50.232 -2.551 185 HD1 PHE 20 HD2 PHE 20 -9.572 51.932 -2.671 186 HD2 PHE 20 HD1 PHE 20 -9.961 48.811 -5.545 187 HE1 PHE 20 HE2 PHE 20 -8.135 53.185 -4.223 188 HE2 PHE 20 HE1 PHE 20 -8.524 50.060 -7.098 189 HZ PHE 20 HZ PHE 20 -7.610 52.251 -6.438 190 H CYS 21 HN CYS 21 -11.327 49.949 -0.215 191 HA CYS 21 HA CYS 21 -12.301 47.524 1.078 192 HB2 CYS 21 HB2 CYS 21 -11.552 49.496 2.408 193 HB3 CYS 21 HB1 CYS 21 -12.887 50.418 1.729 194 HA PRO 22 HA PRO 22 -15.611 47.222 -1.773 195 HB2 PRO 22 HB2 PRO 22 -17.417 45.851 -0.133 196 HB3 PRO 22 HB1 PRO 22 -16.151 45.119 -1.120 197 HG2 PRO 22 HG2 PRO 22 -16.149 45.765 1.793 198 HG3 PRO 22 HG1 PRO 22 -15.426 44.386 0.950 199 HD2 PRO 22 HD2 PRO 22 -13.941 46.436 1.843 200 HD3 PRO 22 HD1 PRO 22 -13.541 45.593 0.334 201 H ARG 23 HN ARG 23 -16.204 48.660 1.383 202 HA ARG 23 HA ARG 23 -18.606 49.965 0.288 203 HB2 ARG 23 HB2 ARG 23 -17.699 49.721 3.162 204 HB3 ARG 23 HB1 ARG 23 -19.140 50.572 2.634 205 HG2 ARG 23 HG2 ARG 23 -18.642 47.618 2.249 206 HG3 ARG 23 HG1 ARG 23 -19.610 48.324 3.541 207 HD2 ARG 23 HD2 ARG 23 -21.094 47.553 1.815 208 HD3 ARG 23 HD1 ARG 23 -21.102 49.316 1.808 209 HE ARG 23 HE ARG 23 -19.254 48.095 -0.050 210 HH11 ARG 23 HH11 ARG 23 -22.529 49.233 0.391 211 HH12 ARG 23 HH12 ARG 23 -22.761 49.596 -1.291 212 HH21 ARG 23 HH21 ARG 23 -19.549 48.559 -2.254 213 HH22 ARG 23 HH22 ARG 23 -21.065 49.210 -2.797 214 H CYS 24 HN CYS 24 -15.605 50.756 2.069 215 HA CYS 24 HA CYS 24 -16.075 53.597 1.790 216 HB2 CYS 24 HB2 CYS 24 -13.453 52.361 2.612 217 HB3 CYS 24 HB1 CYS 24 -14.084 53.949 3.017 218 H GLY 25 HN GLY 25 -15.185 51.413 -0.436 219 HA2 GLY 25 HA2 GLY 25 -12.791 51.770 -1.540 220 HA3 GLY 25 HA1 GLY 25 -14.229 51.660 -2.536 221 HA PRO 26 HA PRO 26 -13.756 55.851 -3.946 222 HB2 PRO 26 HB2 PRO 26 -16.055 57.174 -3.195 223 HB3 PRO 26 HB1 PRO 26 -15.944 56.092 -4.586 224 HG2 PRO 26 HG2 PRO 26 -16.965 55.534 -1.825 225 HG3 PRO 26 HG1 PRO 26 -17.634 55.031 -3.390 226 HD2 PRO 26 HD2 PRO 26 -16.212 53.339 -1.863 227 HD3 PRO 26 HD1 PRO 26 -16.094 53.304 -3.634 228 H GLY 27 HN GLY 27 -12.035 56.518 -2.668 229 HA2 GLY 27 HA2 GLY 27 -11.365 58.558 -1.588 230 HA3 GLY 27 HA1 GLY 27 -12.785 58.442 -0.562 231 H VAL 28 HN VAL 28 -12.186 55.467 -0.201 232 HA VAL 28 HA VAL 28 -9.854 55.725 1.599 233 HB VAL 28 HB VAL 28 -12.373 54.240 2.385 234 HG11 VAL 28 HG11 VAL 28 -9.943 55.061 3.987 235 HG12 VAL 28 HG12 VAL 28 -10.359 53.427 3.475 236 HG13 VAL 28 HG13 VAL 28 -11.378 54.271 4.643 237 HG21 VAL 28 HG21 VAL 28 -11.529 57.016 3.249 238 HG22 VAL 28 HG22 VAL 28 -12.873 56.096 3.924 239 HG23 VAL 28 HG23 VAL 28 -12.919 56.615 2.239 240 H PHE 29 HN PHE 29 -8.431 54.410 0.632 241 HA PHE 29 HA PHE 29 -9.130 51.978 -0.695 242 HB2 PHE 29 HB2 PHE 29 -6.700 51.623 -0.873 243 HB3 PHE 29 HB1 PHE 29 -7.133 53.260 -1.341 244 HD1 PHE 29 HD2 PHE 29 -6.674 55.152 0.232 245 HD2 PHE 29 HD1 PHE 29 -5.211 51.211 0.927 246 HE1 PHE 29 HE2 PHE 29 -5.025 56.046 1.821 247 HE2 PHE 29 HE1 PHE 29 -3.558 52.102 2.518 248 HZ PHE 29 HZ PHE 29 -3.462 54.524 2.965 249 H LEU 30 HN LEU 30 -7.498 50.023 0.109 250 HA LEU 30 HA LEU 30 -8.348 49.478 2.880 251 HB2 LEU 30 HB2 LEU 30 -9.150 47.966 1.040 252 HB3 LEU 30 HB1 LEU 30 -7.483 47.515 0.743 253 HG LEU 30 HG LEU 30 -7.331 46.511 2.969 254 HD11 LEU 30 HD11 LEU 30 -9.329 46.285 4.374 255 HD12 LEU 30 HD12 LEU 30 -10.226 47.324 3.265 256 HD13 LEU 30 HD13 LEU 30 -8.862 47.974 4.176 257 HD21 LEU 30 HD21 LEU 30 -8.082 45.126 1.095 258 HD22 LEU 30 HD22 LEU 30 -9.756 45.583 1.417 259 HD23 LEU 30 HD23 LEU 30 -8.858 44.630 2.600 260 H ALA 31 HN ALA 31 -6.787 49.770 4.337 261 HA ALA 31 HA ALA 31 -4.102 50.262 3.721 262 HB1 ALA 31 HB1 ALA 31 -3.701 50.178 6.130 263 HB2 ALA 31 HB2 ALA 31 -5.277 49.425 6.376 264 HB3 ALA 31 HB3 ALA 31 -5.175 51.078 5.768 265 H GLU 32 HN GLU 32 -3.053 48.719 2.606 266 HA GLU 32 HA GLU 32 -3.245 45.927 3.329 267 HB2 GLU 32 HB2 GLU 32 -3.202 46.644 0.962 268 HB3 GLU 32 HB1 GLU 32 -1.582 47.291 1.192 269 HG2 GLU 32 HG2 GLU 32 -0.729 45.068 1.655 270 HG3 GLU 32 HG1 GLU 32 -2.355 44.398 1.539 271 H HIS 33 HN HIS 33 -1.925 44.936 4.673 272 HA HIS 33 HA HIS 33 0.813 45.947 5.080 273 HB2 HIS 33 HB2 HIS 33 -1.016 44.790 7.213 274 HB3 HIS 33 HB1 HIS 33 0.665 45.254 7.449 275 HD1 HIS 33 HD1 HIS 33 1.166 47.715 7.827 276 HD2 HIS 33 HD2 HIS 33 -2.827 46.966 6.953 277 HE1 HIS 33 HE1 HIS 33 -0.050 49.852 8.343 278 HE2 HIS 33 HE2 HIS 33 -2.485 49.286 8.046 279 H ALA 34 HN ALA 34 2.333 44.235 5.711 280 HA ALA 34 HA ALA 34 2.177 42.012 4.019 281 HB1 ALA 34 HB1 ALA 34 3.928 42.362 6.452 282 HB2 ALA 34 HB2 ALA 34 4.288 42.958 4.832 283 HB3 ALA 34 HB3 ALA 34 4.196 41.223 5.133 284 H ASP 35 HN ASP 35 1.074 42.448 7.277 285 HA ASP 35 HA ASP 35 0.689 39.605 7.764 286 HB2 ASP 35 HB2 ASP 35 0.185 42.085 9.413 287 HB3 ASP 35 HB1 ASP 35 -0.411 40.508 9.916 288 H ARG 36 HN ARG 36 -1.229 42.416 6.850 289 HA ARG 36 HA ARG 36 -3.568 40.870 6.320 290 HB2 ARG 36 HB2 ARG 36 -5.008 41.774 8.110 291 HB3 ARG 36 HB1 ARG 36 -3.697 40.800 8.770 292 HG2 ARG 36 HG2 ARG 36 -2.476 42.751 9.414 293 HG3 ARG 36 HG1 ARG 36 -3.606 43.808 8.568 294 HD2 ARG 36 HD2 ARG 36 -4.106 43.943 10.889 295 HD3 ARG 36 HD1 ARG 36 -5.388 43.001 10.135 296 HE ARG 36 HE ARG 36 -3.341 41.310 11.145 297 HH11 ARG 36 HH11 ARG 36 -6.063 43.267 12.141 298 HH12 ARG 36 HH12 ARG 36 -6.371 42.343 13.579 299 HH21 ARG 36 HH21 ARG 36 -3.712 40.111 13.065 300 HH22 ARG 36 HH22 ARG 36 -5.019 40.565 14.114 301 H TYR 37 HN TYR 37 -5.403 42.176 5.718 302 HA TYR 37 HA TYR 37 -4.781 44.918 4.887 303 HB2 TYR 37 HB2 TYR 37 -7.248 43.236 4.316 304 HB3 TYR 37 HB1 TYR 37 -6.831 44.771 3.568 305 HD1 TYR 37 HD1 TYR 37 -6.118 41.173 3.651 306 HD2 TYR 37 HD2 TYR 37 -5.136 44.887 1.815 307 HE1 TYR 37 HE1 TYR 37 -4.955 39.972 1.851 308 HE2 TYR 37 HE2 TYR 37 -3.971 43.689 0.012 309 HH TYR 37 HH TYR 37 -4.310 40.417 -0.556 310 H SER 38 HN SER 38 -5.918 46.666 5.776 311 HA SER 38 HA SER 38 -7.962 46.095 7.790 312 HB2 SER 38 HB2 SER 38 -5.681 46.153 8.897 313 HB3 SER 38 HB1 SER 38 -5.575 47.849 8.427 314 HG SER 38 HG SER 38 -7.605 46.692 10.057 315 H CYS 39 HN CYS 39 -9.079 48.086 8.495 316 HA CYS 39 HA CYS 39 -8.818 50.382 6.706 317 HB2 CYS 39 HB2 CYS 39 -10.387 48.902 5.539 318 HB3 CYS 39 HB1 CYS 39 -11.365 48.771 6.981 319 H GLY 40 HN GLY 40 -8.920 52.164 7.986 320 HA2 GLY 40 HA2 GLY 40 -10.506 52.283 10.370 321 HA3 GLY 40 HA1 GLY 40 -9.857 53.658 9.473 322 H ARG 41 HN ARG 41 -12.153 54.383 10.153 323 HA ARG 41 HA ARG 41 -14.054 55.291 9.334 324 HB2 ARG 41 HB2 ARG 41 -13.640 53.737 6.771 325 HB3 ARG 41 HB1 ARG 41 -14.620 55.178 7.003 326 HG2 ARG 41 HG2 ARG 41 -11.610 55.020 7.132 327 HG3 ARG 41 HG1 ARG 41 -12.568 55.706 5.822 328 HD2 ARG 41 HD2 ARG 41 -13.377 57.458 7.285 329 HD3 ARG 41 HD1 ARG 41 -12.544 56.735 8.661 330 HE ARG 41 HE ARG 41 -10.454 57.338 7.665 331 HH11 ARG 41 HH11 ARG 41 -13.263 58.744 6.111 332 HH12 ARG 41 HH12 ARG 41 -12.357 60.003 5.338 333 HH21 ARG 41 HH21 ARG 41 -9.265 58.985 6.629 334 HH22 ARG 41 HH22 ARG 41 -10.089 60.143 5.635 335 H CYS 42 HN CYS 42 -13.754 51.811 8.385 336 HA CYS 42 HA CYS 42 -16.370 51.457 9.695 337 HB2 CYS 42 HB2 CYS 42 -17.054 49.837 8.087 338 HB3 CYS 42 HB1 CYS 42 -16.462 51.223 7.178 339 H GLY 43 HN GLY 43 -13.101 50.485 9.519 340 HA2 GLY 43 HA2 GLY 43 -11.960 49.101 10.985 341 HA3 GLY 43 HA1 GLY 43 -13.495 48.662 11.718 342 H TYR 44 HN TYR 44 -13.118 48.365 8.293 343 HA TYR 44 HA TYR 44 -13.523 45.542 8.334 344 HB2 TYR 44 HB2 TYR 44 -14.340 46.893 6.452 345 HB3 TYR 44 HB1 TYR 44 -12.695 47.373 6.051 346 HD1 TYR 44 HD2 TYR 44 -15.099 44.566 6.027 347 HD2 TYR 44 HD1 TYR 44 -11.242 45.902 4.817 348 HE1 TYR 44 HE2 TYR 44 -14.898 42.623 4.538 349 HE2 TYR 44 HE1 TYR 44 -11.034 43.963 3.323 350 HH TYR 44 HH TYR 44 -11.972 41.675 3.137 351 H THR 45 HN THR 45 -12.010 44.124 8.871 352 HA THR 45 HA THR 45 -9.261 44.526 7.906 353 HB THR 45 HB THR 45 -10.045 43.636 10.697 354 HG1 THR 45 HG1 THR 45 -9.790 45.702 11.050 355 HG21 THR 45 HG21 THR 45 -7.299 43.763 9.428 356 HG22 THR 45 HG22 THR 45 -8.161 42.292 9.880 357 HG23 THR 45 HG23 THR 45 -7.632 43.421 11.126 358 H GLU 46 HN GLU 46 -8.529 42.848 6.819 359 HA GLU 46 HA GLU 46 -9.560 40.151 7.342 360 HB2 GLU 46 HB2 GLU 46 -10.863 40.995 5.457 361 HB3 GLU 46 HB1 GLU 46 -9.395 41.488 4.624 362 HG2 GLU 46 HG2 GLU 46 -8.735 39.216 4.287 363 HG3 GLU 46 HG1 GLU 46 -10.030 38.630 5.331 364 H PHE 47 HN PHE 47 -7.931 38.710 7.460 365 HA PHE 47 HA PHE 47 -5.267 39.588 7.522 366 HB2 PHE 47 HB2 PHE 47 -6.415 36.796 7.424 367 HB3 PHE 47 HB1 PHE 47 -4.710 37.139 7.690 368 HD1 PHE 47 HD2 PHE 47 -3.978 38.281 9.742 369 HD2 PHE 47 HD1 PHE 47 -8.029 37.092 9.167 370 HE1 PHE 47 HE2 PHE 47 -4.395 38.531 12.156 371 HE2 PHE 47 HE1 PHE 47 -8.447 37.346 11.577 372 HZ PHE 47 HZ PHE 47 -6.630 38.067 13.075 373 H LYS 48 HN LYS 48 -3.441 38.912 6.250 374 HA LYS 48 HA LYS 48 -3.748 39.218 3.481 375 HB2 LYS 48 HB2 LYS 48 -1.530 38.491 5.296 376 HB3 LYS 48 HB1 LYS 48 -1.353 37.900 3.649 377 HG2 LYS 48 HG2 LYS 48 -1.894 40.784 4.352 378 HG3 LYS 48 HG1 LYS 48 -0.285 40.111 4.088 379 HD2 LYS 48 HD2 LYS 48 -0.955 39.447 1.806 380 HD3 LYS 48 HD1 LYS 48 -2.540 40.172 2.071 381 HE2 LYS 48 HE2 LYS 48 -1.516 42.367 2.334 382 HE3 LYS 48 HE1 LYS 48 0.091 41.657 2.164 383 HZ1 LYS 48 HZ1 LYS 48 -0.672 42.669 0.097 384 HZ2 LYS 48 HZ2 LYS 48 -2.021 41.647 0.067 385 HZ3 LYS 48 HZ3 LYS 48 -0.466 41.002 -0.087 386 H LYS 49 HN LYS 49 -5.355 37.851 2.785 387 HA LYS 49 HA LYS 49 -5.512 35.091 3.096 388 HB2 LYS 49 HB2 LYS 49 -7.286 36.624 2.199 389 HB3 LYS 49 HB1 LYS 49 -6.395 36.707 0.688 390 HG2 LYS 49 HG2 LYS 49 -6.720 34.312 0.346 391 HG3 LYS 49 HG1 LYS 49 -7.574 34.200 1.887 392 HD2 LYS 49 HD2 LYS 49 -9.279 35.769 1.037 393 HD3 LYS 49 HD1 LYS 49 -8.436 35.831 -0.512 394 HE2 LYS 49 HE2 LYS 49 -8.819 33.423 -0.807 395 HE3 LYS 49 HE1 LYS 49 -9.668 33.370 0.738 396 HZ1 LYS 49 HZ1 LYS 49 -10.498 34.939 -1.642 397 HZ2 LYS 49 HZ2 LYS 49 -11.309 34.902 -0.162 398 HZ3 LYS 49 HZ3 LYS 49 -11.213 33.504 -1.104 399 H ALA 50 HN ALA 50 -3.501 37.024 1.036 400 HA ALA 50 HA ALA 50 -1.728 36.558 -0.300 401 HB1 ALA 50 HB1 ALA 50 -0.426 34.554 0.195 402 HB2 ALA 50 HB2 ALA 50 -1.781 33.880 1.100 403 HB3 ALA 50 HB3 ALA 50 -0.964 35.330 1.685 404 H LYS 51 HN LYS 51 -0.854 34.457 -1.739 405 HA LYS 51 HA LYS 51 -3.154 33.773 -3.447 406 HB2 LYS 51 HB2 LYS 51 -1.330 35.026 -4.532 407 HB3 LYS 51 HB1 LYS 51 -0.199 33.750 -4.097 408 HG2 LYS 51 HG2 LYS 51 -1.236 32.198 -5.557 409 HG3 LYS 51 HG1 LYS 51 -2.637 33.246 -5.790 410 HD2 LYS 51 HD2 LYS 51 0.185 33.769 -6.750 411 HD3 LYS 51 HD1 LYS 51 -1.195 33.305 -7.749 412 HE2 LYS 51 HE2 LYS 51 -1.232 35.575 -8.078 413 HE3 LYS 51 HE1 LYS 51 -2.270 35.461 -6.653 414 HZ1 LYS 51 HZ1 LYS 51 0.647 35.988 -6.504 415 HZ2 LYS 51 HZ2 LYS 51 -0.490 36.136 -5.261 416 HZ3 LYS 51 HZ3 LYS 51 -0.515 37.213 -6.563 417 H LYS 52 HN LYS 52 -3.934 31.810 -3.040 418 HA LYS 52 HA LYS 52 -4.110 29.600 -2.539 419 HB2 LYS 52 HB2 LYS 52 -1.343 29.477 -3.780 420 HB3 LYS 52 HB1 LYS 52 -2.429 28.109 -3.546 421 HG2 LYS 52 HG2 LYS 52 -4.042 29.115 -5.086 422 HG3 LYS 52 HG1 LYS 52 -2.973 30.502 -5.308 423 HD2 LYS 52 HD2 LYS 52 -1.250 29.006 -6.240 424 HD3 LYS 52 HD1 LYS 52 -2.344 27.634 -6.040 425 HE2 LYS 52 HE2 LYS 52 -3.951 28.718 -7.564 426 HE3 LYS 52 HE1 LYS 52 -2.823 30.055 -7.788 427 HZ1 LYS 52 HZ1 LYS 52 -2.674 28.480 -9.598 428 HZ2 LYS 52 HZ2 LYS 52 -2.324 27.220 -8.525 429 HZ3 LYS 52 HZ3 LYS 52 -1.230 28.492 -8.721 430 H SER 53 HN SER 53 -3.530 31.035 -0.392 431 HA SER 53 HA SER 53 -1.201 30.601 1.040 432 HB2 SER 53 HB2 SER 53 -3.025 32.211 1.628 433 HB3 SER 53 HB1 SER 53 -3.994 30.852 2.192 434 HG SER 53 HG SER 53 -1.404 31.154 3.222 435 H LYS 54 HN LYS 54 -0.292 28.808 1.748 436 HA LYS 54 HA LYS 54 0.076 26.734 2.562 437 HB2 LYS 54 HB2 LYS 54 -1.378 27.438 4.416 438 HB3 LYS 54 HB1 LYS 54 -2.793 26.909 3.518 439 HG2 LYS 54 HG2 LYS 54 -2.025 24.597 3.626 440 HG3 LYS 54 HG1 LYS 54 -0.555 25.111 4.458 441 HD2 LYS 54 HD2 LYS 54 -2.160 24.223 6.058 442 HD3 LYS 54 HD1 LYS 54 -1.923 25.949 6.332 443 HE2 LYS 54 HE2 LYS 54 -3.999 26.421 5.107 444 HE3 LYS 54 HE1 LYS 54 -4.238 24.693 4.846 445 HZ1 LYS 54 HZ1 LYS 54 -5.545 25.498 6.705 446 HZ2 LYS 54 HZ2 LYS 54 -4.151 26.049 7.486 447 HZ3 LYS 54 HZ3 LYS 54 -4.383 24.394 7.244 448 H SER 55 HN SER 55 0.414 25.724 0.623 449 HA SER 55 HA SER 55 -1.640 23.866 -0.236 450 HB2 SER 55 HB2 SER 55 -1.236 24.576 -2.675 451 HB3 SER 55 HB1 SER 55 -2.237 25.642 -1.690 452 HG SER 55 HG SER 55 -0.736 27.145 -1.738 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 1.471 80.667 6.470 2 H2 MET 1 HT2 MET 1 0.714 82.175 6.430 3 H3 MET 1 HT3 MET 1 2.388 82.078 6.645 4 HA MET 1 HA MET 1 1.864 82.744 4.400 5 HB2 MET 1 HB2 MET 1 2.932 79.916 4.629 6 HB3 MET 1 HB1 MET 1 3.075 80.921 3.195 7 HG2 MET 1 HG2 MET 1 4.416 82.533 4.467 8 HG3 MET 1 HG1 MET 1 4.285 81.502 5.892 9 HE1 MET 1 HE1 MET 1 5.696 81.788 2.218 10 HE2 MET 1 HE2 MET 1 4.680 80.347 2.155 11 HE3 MET 1 HE3 MET 1 6.431 80.199 2.014 12 H GLN 2 HN GLN 2 1.297 81.620 2.189 13 HA GLN 2 HA GLN 2 -1.436 80.833 2.261 14 HB2 GLN 2 HB2 GLN 2 -1.245 80.468 -0.149 15 HB3 GLN 2 HB1 GLN 2 -0.501 81.995 0.298 16 HG2 GLN 2 HG2 GLN 2 1.118 79.488 -0.058 17 HG3 GLN 2 HG1 GLN 2 0.700 80.532 -1.415 18 HE21 GLN 2 HE21 GLN 2 1.622 82.565 -1.566 19 HE22 GLN 2 HE22 GLN 2 3.001 83.031 -0.630 20 H LYS 3 HN LYS 3 -2.348 78.811 2.010 21 HA LYS 3 HA LYS 3 -0.799 76.712 3.170 22 HB2 LYS 3 HB2 LYS 3 -3.647 76.773 2.150 23 HB3 LYS 3 HB1 LYS 3 -2.922 75.372 2.925 24 HG2 LYS 3 HG2 LYS 3 -4.191 76.508 4.581 25 HG3 LYS 3 HG1 LYS 3 -2.491 76.807 4.939 26 HD2 LYS 3 HD2 LYS 3 -2.785 78.994 3.631 27 HD3 LYS 3 HD1 LYS 3 -4.519 78.689 3.749 28 HE2 LYS 3 HE2 LYS 3 -3.867 80.155 5.540 29 HE3 LYS 3 HE1 LYS 3 -4.272 78.582 6.224 30 HZ1 LYS 3 HZ1 LYS 3 -1.520 79.557 5.663 31 HZ2 LYS 3 HZ2 LYS 3 -1.923 78.068 6.358 32 HZ3 LYS 3 HZ3 LYS 3 -2.250 79.501 7.188 33 H ARG 4 HN ARG 4 0.795 76.090 1.816 34 HA ARG 4 HA ARG 4 0.236 75.208 -0.882 35 HB2 ARG 4 HB2 ARG 4 2.732 74.974 0.828 36 HB3 ARG 4 HB1 ARG 4 2.631 74.500 -0.860 37 HG2 ARG 4 HG2 ARG 4 2.264 77.298 0.212 38 HG3 ARG 4 HG1 ARG 4 3.695 76.673 -0.614 39 HD2 ARG 4 HD2 ARG 4 2.262 76.200 -2.598 40 HD3 ARG 4 HD1 ARG 4 0.926 77.004 -1.773 41 HE ARG 4 HE ARG 4 3.193 78.703 -1.867 42 HH11 ARG 4 HH11 ARG 4 0.626 77.428 -3.877 43 HH12 ARG 4 HH12 ARG 4 0.693 78.737 -5.015 44 HH21 ARG 4 HH21 ARG 4 3.295 80.417 -3.366 45 HH22 ARG 4 HH22 ARG 4 2.213 80.437 -4.721 46 H GLU 5 HN GLU 5 -0.555 73.268 -1.340 47 HA GLU 5 HA GLU 5 -0.685 71.195 0.677 48 HB2 GLU 5 HB2 GLU 5 -1.611 71.140 -2.211 49 HB3 GLU 5 HB1 GLU 5 -2.062 70.002 -0.943 50 HG2 GLU 5 HG2 GLU 5 -3.154 71.853 0.284 51 HG3 GLU 5 HG1 GLU 5 -2.767 72.936 -1.051 52 H LEU 6 HN LEU 6 1.869 71.587 0.359 53 HA LEU 6 HA LEU 6 3.896 70.772 -0.183 54 HB2 LEU 6 HB2 LEU 6 2.258 68.441 -1.184 55 HB3 LEU 6 HB1 LEU 6 4.004 68.478 -1.312 56 HG LEU 6 HG LEU 6 4.150 68.671 1.169 57 HD11 LEU 6 HD11 LEU 6 2.186 68.148 2.531 58 HD12 LEU 6 HD12 LEU 6 1.174 68.180 1.086 59 HD13 LEU 6 HD13 LEU 6 1.975 69.653 1.636 60 HD21 LEU 6 HD21 LEU 6 3.585 66.337 1.628 61 HD22 LEU 6 HD22 LEU 6 4.389 66.514 0.068 62 HD23 LEU 6 HD23 LEU 6 2.642 66.270 0.137 63 H TYR 7 HN TYR 7 5.387 70.780 -1.929 64 HA TYR 7 HA TYR 7 4.521 72.245 -4.208 65 HB2 TYR 7 HB2 TYR 7 7.140 70.886 -3.536 66 HB3 TYR 7 HB1 TYR 7 6.891 71.770 -5.039 67 HD1 TYR 7 HD1 TYR 7 7.148 72.100 -1.366 68 HD2 TYR 7 HD2 TYR 7 6.827 74.176 -5.071 69 HE1 TYR 7 HE1 TYR 7 7.726 74.203 -0.234 70 HE2 TYR 7 HE2 TYR 7 7.407 76.284 -3.947 71 HH TYR 7 HH TYR 7 8.690 76.399 -0.808 72 H GLU 8 HN GLU 8 4.902 68.880 -3.499 73 HA GLU 8 HA GLU 8 4.475 68.118 -6.277 74 HB2 GLU 8 HB2 GLU 8 4.621 66.374 -3.811 75 HB3 GLU 8 HB1 GLU 8 4.601 65.823 -5.481 76 HG2 GLU 8 HG2 GLU 8 6.747 67.033 -5.844 77 HG3 GLU 8 HG1 GLU 8 6.773 67.411 -4.122 78 H ILE 9 HN ILE 9 2.475 68.898 -6.731 79 HA ILE 9 HA ILE 9 0.208 68.203 -5.033 80 HB ILE 9 HB ILE 9 -1.125 69.563 -6.654 81 HG12 ILE 9 HG12 ILE 9 1.592 70.176 -7.865 82 HG13 ILE 9 HG11 ILE 9 0.307 69.262 -8.645 83 HG21 ILE 9 HG21 ILE 9 -0.249 70.556 -4.601 84 HG22 ILE 9 HG22 ILE 9 -0.246 71.734 -5.912 85 HG23 ILE 9 HG23 ILE 9 1.259 70.957 -5.424 86 HD11 ILE 9 HD11 ILE 9 0.188 72.170 -7.865 87 HD12 ILE 9 HD12 ILE 9 -1.108 71.257 -8.639 88 HD13 ILE 9 HD13 ILE 9 0.411 71.530 -9.494 89 H ALA 10 HN ALA 10 -1.222 66.648 -5.485 90 HA ALA 10 HA ALA 10 -2.157 64.806 -6.416 91 HB1 ALA 10 HB1 ALA 10 -2.507 64.745 -8.834 92 HB2 ALA 10 HB2 ALA 10 -1.341 66.052 -9.049 93 HB3 ALA 10 HB3 ALA 10 -2.854 66.351 -8.196 94 H ASP 11 HN ASP 11 -1.535 63.072 -8.345 95 HA ASP 11 HA ASP 11 -0.182 61.354 -8.925 96 HB2 ASP 11 HB2 ASP 11 1.305 62.971 -9.949 97 HB3 ASP 11 HB1 ASP 11 2.019 63.371 -8.390 98 H GLY 12 HN GLY 12 -0.632 59.884 -7.386 99 HA2 GLY 12 HA2 GLY 12 0.558 60.069 -4.732 100 HA3 GLY 12 HA1 GLY 12 -0.609 58.874 -5.278 101 H LYS 13 HN LYS 13 1.114 57.660 -3.919 102 HA LYS 13 HA LYS 13 3.451 56.930 -5.534 103 HB2 LYS 13 HB2 LYS 13 2.824 56.041 -2.705 104 HB3 LYS 13 HB1 LYS 13 4.372 55.962 -3.540 105 HG2 LYS 13 HG2 LYS 13 4.396 58.457 -3.608 106 HG3 LYS 13 HG1 LYS 13 2.935 58.452 -2.621 107 HD2 LYS 13 HD2 LYS 13 4.767 58.795 -1.140 108 HD3 LYS 13 HD1 LYS 13 4.235 57.129 -0.901 109 HE2 LYS 13 HE2 LYS 13 6.672 57.269 -0.980 110 HE3 LYS 13 HE1 LYS 13 6.052 56.347 -2.350 111 HZ1 LYS 13 HZ1 LYS 13 6.322 58.305 -3.744 112 HZ2 LYS 13 HZ2 LYS 13 7.792 57.892 -3.020 113 HZ3 LYS 13 HZ3 LYS 13 6.897 59.197 -2.428 114 H LEU 14 HN LEU 14 1.938 55.914 -7.047 115 HA LEU 14 HA LEU 14 0.335 53.688 -6.185 116 HB2 LEU 14 HB2 LEU 14 -0.520 53.622 -8.375 117 HB3 LEU 14 HB1 LEU 14 -0.279 55.315 -8.010 118 HG LEU 14 HG LEU 14 1.526 53.618 -9.753 119 HD11 LEU 14 HD11 LEU 14 -0.425 55.797 -10.486 120 HD12 LEU 14 HD12 LEU 14 -0.621 54.073 -10.798 121 HD13 LEU 14 HD13 LEU 14 0.670 54.971 -11.595 122 HD21 LEU 14 HD21 LEU 14 2.817 55.345 -8.636 123 HD22 LEU 14 HD22 LEU 14 1.651 56.573 -9.127 124 HD23 LEU 14 HD23 LEU 14 2.624 55.742 -10.343 125 H VAL 15 HN VAL 15 3.395 53.588 -6.086 126 HA VAL 15 HA VAL 15 4.342 51.716 -7.939 127 HB VAL 15 HB VAL 15 5.249 52.081 -5.074 128 HG11 VAL 15 HG11 VAL 15 7.394 51.173 -5.861 129 HG12 VAL 15 HG12 VAL 15 6.690 50.888 -7.453 130 HG13 VAL 15 HG13 VAL 15 6.087 50.005 -6.050 131 HG21 VAL 15 HG21 VAL 15 5.286 54.188 -6.304 132 HG22 VAL 15 HG22 VAL 15 6.205 53.429 -7.605 133 HG23 VAL 15 HG23 VAL 15 6.927 53.614 -6.005 134 H ARG 16 HN ARG 16 2.794 51.281 -4.787 135 HA ARG 16 HA ARG 16 2.337 48.452 -5.484 136 HB2 ARG 16 HB2 ARG 16 3.856 48.478 -3.609 137 HB3 ARG 16 HB1 ARG 16 2.873 49.662 -2.756 138 HG2 ARG 16 HG2 ARG 16 2.592 47.452 -1.792 139 HG3 ARG 16 HG1 ARG 16 1.083 48.012 -2.508 140 HD2 ARG 16 HD2 ARG 16 1.712 46.664 -4.567 141 HD3 ARG 16 HD1 ARG 16 3.005 45.954 -3.595 142 HE ARG 16 HE ARG 16 0.548 45.729 -2.224 143 HH11 ARG 16 HH11 ARG 16 2.288 44.336 -4.922 144 HH12 ARG 16 HH12 ARG 16 1.394 42.849 -4.886 145 HH21 ARG 16 HH21 ARG 16 -0.648 43.794 -2.192 146 HH22 ARG 16 HH22 ARG 16 -0.295 42.551 -3.356 147 H LYS 17 HN LYS 17 0.336 48.671 -6.353 148 HA LYS 17 HA LYS 17 -1.745 50.012 -4.777 149 HB2 LYS 17 HB2 LYS 17 -1.871 48.932 -7.608 150 HB3 LYS 17 HB1 LYS 17 -3.136 49.844 -6.792 151 HG2 LYS 17 HG2 LYS 17 -1.497 51.744 -6.591 152 HG3 LYS 17 HG1 LYS 17 -0.418 50.827 -7.642 153 HD2 LYS 17 HD2 LYS 17 -1.648 52.421 -8.975 154 HD3 LYS 17 HD1 LYS 17 -2.206 50.794 -9.372 155 HE2 LYS 17 HE2 LYS 17 -4.172 51.091 -7.987 156 HE3 LYS 17 HE1 LYS 17 -3.595 52.666 -7.446 157 HZ1 LYS 17 HZ1 LYS 17 -4.296 51.972 -10.247 158 HZ2 LYS 17 HZ2 LYS 17 -3.805 53.491 -9.693 159 HZ3 LYS 17 HZ3 LYS 17 -5.279 52.841 -9.182 160 H HIS 18 HN HIS 18 -3.950 48.844 -4.986 161 HA HIS 18 HA HIS 18 -4.100 46.042 -5.097 162 HB2 HIS 18 HB2 HIS 18 -4.413 45.630 -2.612 163 HB3 HIS 18 HB1 HIS 18 -2.755 45.957 -3.102 164 HD1 HIS 18 HD1 HIS 18 -1.574 47.691 -1.795 165 HD2 HIS 18 HD2 HIS 18 -5.703 48.040 -1.451 166 HE1 HIS 18 HE1 HIS 18 -1.962 49.588 -0.192 167 HE2 HIS 18 HE2 HIS 18 -4.457 49.667 0.128 168 H ARG 19 HN ARG 19 -6.192 45.276 -4.046 169 HA ARG 19 HA ARG 19 -8.355 46.858 -4.853 170 HB2 ARG 19 HB2 ARG 19 -8.456 44.410 -4.642 171 HB3 ARG 19 HB1 ARG 19 -8.289 44.544 -2.899 172 HG2 ARG 19 HG2 ARG 19 -10.439 45.706 -2.773 173 HG3 ARG 19 HG1 ARG 19 -10.606 45.590 -4.526 174 HD2 ARG 19 HD2 ARG 19 -10.666 43.171 -4.397 175 HD3 ARG 19 HD1 ARG 19 -10.365 43.225 -2.659 176 HE ARG 19 HE ARG 19 -12.712 44.685 -3.408 177 HH11 ARG 19 HH11 ARG 19 -11.508 41.447 -2.821 178 HH12 ARG 19 HH12 ARG 19 -13.037 40.844 -2.266 179 HH21 ARG 19 HH21 ARG 19 -14.735 43.884 -2.726 180 HH22 ARG 19 HH22 ARG 19 -14.878 42.233 -2.216 181 H PHE 20 HN PHE 20 -9.575 48.354 -3.838 182 HA PHE 20 HA PHE 20 -8.747 49.348 -1.255 183 HB2 PHE 20 HB2 PHE 20 -10.990 50.220 -3.099 184 HB3 PHE 20 HB1 PHE 20 -10.514 51.059 -1.626 185 HD1 PHE 20 HD2 PHE 20 -8.113 51.919 -1.479 186 HD2 PHE 20 HD1 PHE 20 -9.948 50.725 -5.135 187 HE1 PHE 20 HE2 PHE 20 -6.446 53.217 -2.737 188 HE2 PHE 20 HE1 PHE 20 -8.281 52.018 -6.395 189 HZ PHE 20 HZ PHE 20 -6.529 53.269 -5.196 190 H CYS 21 HN CYS 21 -10.856 50.071 0.140 191 HA CYS 21 HA CYS 21 -11.818 47.599 1.204 192 HB2 CYS 21 HB2 CYS 21 -11.347 49.565 2.615 193 HB3 CYS 21 HB1 CYS 21 -12.662 50.435 1.834 194 HA PRO 22 HA PRO 22 -14.978 46.728 -1.749 195 HB2 PRO 22 HB2 PRO 22 -16.571 45.928 0.639 196 HB3 PRO 22 HB1 PRO 22 -16.240 45.037 -0.848 197 HG2 PRO 22 HG2 PRO 22 -14.968 44.598 1.532 198 HG3 PRO 22 HG1 PRO 22 -14.289 44.187 -0.050 199 HD2 PRO 22 HD2 PRO 22 -13.424 46.219 1.836 200 HD3 PRO 22 HD1 PRO 22 -12.635 45.681 0.344 201 H ARG 23 HN ARG 23 -16.115 48.238 1.288 202 HA ARG 23 HA ARG 23 -18.365 49.408 -0.137 203 HB2 ARG 23 HB2 ARG 23 -17.663 49.462 2.805 204 HB3 ARG 23 HB1 ARG 23 -19.122 50.149 2.111 205 HG2 ARG 23 HG2 ARG 23 -18.373 47.225 2.030 206 HG3 ARG 23 HG1 ARG 23 -19.503 47.960 3.166 207 HD2 ARG 23 HD2 ARG 23 -20.871 47.028 1.503 208 HD3 ARG 23 HD1 ARG 23 -20.799 48.743 1.100 209 HE ARG 23 HE ARG 23 -18.956 46.889 -0.238 210 HH11 ARG 23 HH11 ARG 23 -21.759 48.982 -0.422 211 HH12 ARG 23 HH12 ARG 23 -21.789 49.002 -2.158 212 HH21 ARG 23 HH21 ARG 23 -18.981 46.927 -2.523 213 HH22 ARG 23 HH22 ARG 23 -20.192 47.854 -3.349 214 H CYS 24 HN CYS 24 -15.561 50.521 1.773 215 HA CYS 24 HA CYS 24 -16.236 53.307 1.367 216 HB2 CYS 24 HB2 CYS 24 -13.599 52.298 2.426 217 HB3 CYS 24 HB1 CYS 24 -14.370 53.848 2.723 218 H GLY 25 HN GLY 25 -14.982 51.118 -0.702 219 HA2 GLY 25 HA2 GLY 25 -12.499 51.744 -1.550 220 HA3 GLY 25 HA1 GLY 25 -13.769 51.263 -2.652 221 HA PRO 26 HA PRO 26 -13.759 55.291 -4.502 222 HB2 PRO 26 HB2 PRO 26 -16.355 56.143 -4.500 223 HB3 PRO 26 HB1 PRO 26 -15.745 54.890 -5.584 224 HG2 PRO 26 HG2 PRO 26 -17.267 54.601 -3.021 225 HG3 PRO 26 HG1 PRO 26 -17.456 53.708 -4.541 226 HD2 PRO 26 HD2 PRO 26 -16.126 52.690 -2.404 227 HD3 PRO 26 HD1 PRO 26 -15.683 52.297 -4.078 228 H GLY 27 HN GLY 27 -12.519 56.096 -2.653 229 HA2 GLY 27 HA2 GLY 27 -12.648 58.529 -1.933 230 HA3 GLY 27 HA1 GLY 27 -14.051 58.020 -1.010 231 H VAL 28 HN VAL 28 -12.622 55.397 -0.399 232 HA VAL 28 HA VAL 28 -10.639 56.424 1.537 233 HB VAL 28 HB VAL 28 -12.725 54.335 2.204 234 HG11 VAL 28 HG11 VAL 28 -10.654 55.693 3.940 235 HG12 VAL 28 HG12 VAL 28 -10.636 54.010 3.412 236 HG13 VAL 28 HG13 VAL 28 -11.894 54.574 4.513 237 HG21 VAL 28 HG21 VAL 28 -13.777 56.531 2.004 238 HG22 VAL 28 HG22 VAL 28 -12.572 57.226 3.088 239 HG23 VAL 28 HG23 VAL 28 -13.717 56.030 3.694 240 H PHE 29 HN PHE 29 -8.841 55.245 1.701 241 HA PHE 29 HA PHE 29 -8.406 53.110 -0.166 242 HB2 PHE 29 HB2 PHE 29 -6.089 53.179 0.623 243 HB3 PHE 29 HB1 PHE 29 -6.676 54.798 0.267 244 HD1 PHE 29 HD1 PHE 29 -7.216 56.359 2.131 245 HD2 PHE 29 HD2 PHE 29 -5.412 52.559 2.837 246 HE1 PHE 29 HE1 PHE 29 -6.543 57.096 4.379 247 HE2 PHE 29 HE2 PHE 29 -4.746 53.297 5.089 248 HZ PHE 29 HZ PHE 29 -5.309 55.562 5.861 249 H LEU 30 HN LEU 30 -6.978 51.211 0.719 250 HA LEU 30 HA LEU 30 -8.086 50.142 3.228 251 HB2 LEU 30 HB2 LEU 30 -9.059 49.035 1.210 252 HB3 LEU 30 HB1 LEU 30 -7.442 48.577 0.717 253 HG LEU 30 HG LEU 30 -7.233 47.219 2.800 254 HD11 LEU 30 HD11 LEU 30 -8.843 48.407 4.189 255 HD12 LEU 30 HD12 LEU 30 -9.242 46.693 4.085 256 HD13 LEU 30 HD13 LEU 30 -10.160 47.869 3.145 257 HD21 LEU 30 HD21 LEU 30 -7.869 46.178 0.682 258 HD22 LEU 30 HD22 LEU 30 -9.568 46.517 1.011 259 HD23 LEU 30 HD23 LEU 30 -8.678 45.391 2.038 260 H ALA 31 HN ALA 31 -6.428 50.211 4.625 261 HA ALA 31 HA ALA 31 -3.721 50.450 3.886 262 HB1 ALA 31 HB1 ALA 31 -4.602 51.311 6.000 263 HB2 ALA 31 HB2 ALA 31 -3.239 50.225 6.272 264 HB3 ALA 31 HB3 ALA 31 -4.885 49.661 6.559 265 H GLU 32 HN GLU 32 -2.926 48.812 2.657 266 HA GLU 32 HA GLU 32 -3.338 46.040 3.356 267 HB2 GLU 32 HB2 GLU 32 -3.266 46.588 1.017 268 HB3 GLU 32 HB1 GLU 32 -1.714 47.393 1.198 269 HG2 GLU 32 HG2 GLU 32 -0.648 45.257 1.703 270 HG3 GLU 32 HG1 GLU 32 -2.204 44.439 1.561 271 H HIS 33 HN HIS 33 -2.028 44.788 4.503 272 HA HIS 33 HA HIS 33 0.765 45.595 4.931 273 HB2 HIS 33 HB2 HIS 33 -0.999 44.456 7.121 274 HB3 HIS 33 HB1 HIS 33 0.652 45.041 7.283 275 HD1 HIS 33 HD1 HIS 33 0.926 47.720 6.893 276 HD2 HIS 33 HD2 HIS 33 -2.914 46.312 7.623 277 HE1 HIS 33 HE1 HIS 33 -0.413 49.735 7.561 278 HE2 HIS 33 HE2 HIS 33 -2.688 48.831 8.152 279 H ALA 34 HN ALA 34 2.152 43.773 5.470 280 HA ALA 34 HA ALA 34 1.764 41.590 3.769 281 HB1 ALA 34 HB1 ALA 34 3.618 41.790 6.146 282 HB2 ALA 34 HB2 ALA 34 3.968 42.352 4.512 283 HB3 ALA 34 HB3 ALA 34 3.749 40.631 4.823 284 H ASP 35 HN ASP 35 0.703 42.115 7.009 285 HA ASP 35 HA ASP 35 0.151 39.282 7.475 286 HB2 ASP 35 HB2 ASP 35 -0.225 41.711 9.247 287 HB3 ASP 35 HB1 ASP 35 -0.610 40.064 9.727 288 H ARG 36 HN ARG 36 -1.540 42.270 6.710 289 HA ARG 36 HA ARG 36 -4.013 41.015 6.156 290 HB2 ARG 36 HB2 ARG 36 -5.313 41.976 8.091 291 HB3 ARG 36 HB1 ARG 36 -4.220 40.666 8.528 292 HG2 ARG 36 HG2 ARG 36 -2.581 42.276 9.332 293 HG3 ARG 36 HG1 ARG 36 -3.643 43.606 8.870 294 HD2 ARG 36 HD2 ARG 36 -5.283 42.932 10.499 295 HD3 ARG 36 HD1 ARG 36 -4.370 41.466 10.873 296 HE ARG 36 HE ARG 36 -2.553 43.267 11.472 297 HH11 ARG 36 HH11 ARG 36 -5.970 43.343 12.221 298 HH12 ARG 36 HH12 ARG 36 -5.763 44.276 13.666 299 HH21 ARG 36 HH21 ARG 36 -2.265 44.471 13.368 300 HH22 ARG 36 HH22 ARG 36 -3.641 44.919 14.325 301 H TYR 37 HN TYR 37 -5.778 42.590 5.857 302 HA TYR 37 HA TYR 37 -4.836 45.236 5.023 303 HB2 TYR 37 HB2 TYR 37 -7.512 43.901 4.494 304 HB3 TYR 37 HB1 TYR 37 -6.902 45.368 3.737 305 HD1 TYR 37 HD1 TYR 37 -6.603 41.700 3.873 306 HD2 TYR 37 HD2 TYR 37 -5.309 45.256 1.913 307 HE1 TYR 37 HE1 TYR 37 -5.628 40.345 2.070 308 HE2 TYR 37 HE2 TYR 37 -4.333 43.905 0.104 309 HH TYR 37 HH TYR 37 -4.950 40.540 -0.231 310 H SER 38 HN SER 38 -5.939 47.122 5.751 311 HA SER 38 HA SER 38 -7.689 46.778 8.088 312 HB2 SER 38 HB2 SER 38 -5.462 47.108 8.994 313 HB3 SER 38 HB1 SER 38 -5.194 48.494 7.940 314 HG SER 38 HG SER 38 -6.729 48.281 10.269 315 H CYS 39 HN CYS 39 -9.183 48.396 8.410 316 HA CYS 39 HA CYS 39 -9.073 50.784 6.702 317 HB2 CYS 39 HB2 CYS 39 -10.564 49.235 5.564 318 HB3 CYS 39 HB1 CYS 39 -11.484 48.998 7.038 319 H GLY 40 HN GLY 40 -8.471 51.929 8.582 320 HA2 GLY 40 HA2 GLY 40 -10.076 52.005 10.936 321 HA3 GLY 40 HA1 GLY 40 -8.859 53.184 10.466 322 H ARG 41 HN ARG 41 -12.098 52.140 9.463 323 HA ARG 41 HA ARG 41 -13.203 54.754 9.705 324 HB2 ARG 41 HB2 ARG 41 -11.930 54.783 7.465 325 HB3 ARG 41 HB1 ARG 41 -13.157 53.664 6.884 326 HG2 ARG 41 HG2 ARG 41 -13.670 55.969 6.255 327 HG3 ARG 41 HG1 ARG 41 -14.901 55.308 7.336 328 HD2 ARG 41 HD2 ARG 41 -13.773 56.430 9.239 329 HD3 ARG 41 HD1 ARG 41 -12.635 57.153 8.104 330 HE ARG 41 HE ARG 41 -14.908 58.037 7.090 331 HH11 ARG 41 HH11 ARG 41 -13.960 57.792 10.446 332 HH12 ARG 41 HH12 ARG 41 -14.856 59.190 10.944 333 HH21 ARG 41 HH21 ARG 41 -16.108 59.889 7.743 334 HH22 ARG 41 HH22 ARG 41 -16.087 60.378 9.408 335 H CYS 42 HN CYS 42 -13.468 51.418 8.621 336 HA CYS 42 HA CYS 42 -16.131 51.369 9.845 337 HB2 CYS 42 HB2 CYS 42 -17.134 50.064 8.125 338 HB3 CYS 42 HB1 CYS 42 -16.365 51.425 7.318 339 H GLY 43 HN GLY 43 -13.070 50.281 9.916 340 HA2 GLY 43 HA2 GLY 43 -12.159 48.720 11.333 341 HA3 GLY 43 HA1 GLY 43 -13.780 48.172 11.729 342 H TYR 44 HN TYR 44 -13.098 48.272 8.390 343 HA TYR 44 HA TYR 44 -13.387 45.481 8.084 344 HB2 TYR 44 HB2 TYR 44 -13.945 47.085 6.273 345 HB3 TYR 44 HB1 TYR 44 -12.234 47.455 6.083 346 HD1 TYR 44 HD1 TYR 44 -14.811 44.837 5.629 347 HD2 TYR 44 HD2 TYR 44 -10.767 45.955 4.888 348 HE1 TYR 44 HE1 TYR 44 -14.586 42.969 4.045 349 HE2 TYR 44 HE2 TYR 44 -10.539 44.093 3.301 350 HH TYR 44 HH TYR 44 -11.619 41.881 2.888 351 H THR 45 HN THR 45 -11.981 44.138 8.909 352 HA THR 45 HA THR 45 -9.115 44.508 8.340 353 HB THR 45 HB THR 45 -10.230 43.267 10.872 354 HG1 THR 45 HG1 THR 45 -10.736 45.435 10.977 355 HG21 THR 45 HG21 THR 45 -7.448 44.214 10.141 356 HG22 THR 45 HG22 THR 45 -7.966 42.532 10.258 357 HG23 THR 45 HG23 THR 45 -7.932 43.548 11.701 358 H GLU 46 HN GLU 46 -8.478 42.923 7.019 359 HA GLU 46 HA GLU 46 -9.597 40.226 7.381 360 HB2 GLU 46 HB2 GLU 46 -10.736 41.288 5.467 361 HB3 GLU 46 HB1 GLU 46 -9.178 41.615 4.721 362 HG2 GLU 46 HG2 GLU 46 -10.255 39.679 3.711 363 HG3 GLU 46 HG1 GLU 46 -8.749 39.229 4.508 364 H PHE 47 HN PHE 47 -8.090 38.664 7.436 365 HA PHE 47 HA PHE 47 -5.329 39.432 7.410 366 HB2 PHE 47 HB2 PHE 47 -6.714 36.780 7.819 367 HB3 PHE 47 HB1 PHE 47 -4.958 36.944 7.825 368 HD1 PHE 47 HD1 PHE 47 -8.062 37.733 9.618 369 HD2 PHE 47 HD2 PHE 47 -3.814 38.058 9.635 370 HE1 PHE 47 HE1 PHE 47 -8.124 38.395 11.986 371 HE2 PHE 47 HE2 PHE 47 -3.873 38.714 12.008 372 HZ PHE 47 HZ PHE 47 -6.028 38.886 13.184 373 H LYS 48 HN LYS 48 -3.676 38.549 6.117 374 HA LYS 48 HA LYS 48 -4.214 38.743 3.371 375 HB2 LYS 48 HB2 LYS 48 -1.828 38.085 5.024 376 HB3 LYS 48 HB1 LYS 48 -1.764 37.639 3.327 377 HG2 LYS 48 HG2 LYS 48 -2.424 40.423 4.273 378 HG3 LYS 48 HG1 LYS 48 -0.785 39.880 3.906 379 HD2 LYS 48 HD2 LYS 48 -1.562 39.280 1.610 380 HD3 LYS 48 HD1 LYS 48 -3.132 39.984 2.000 381 HE2 LYS 48 HE2 LYS 48 -2.112 42.160 2.323 382 HE3 LYS 48 HE1 LYS 48 -0.506 41.476 2.071 383 HZ1 LYS 48 HZ1 LYS 48 -2.679 41.619 0.049 384 HZ2 LYS 48 HZ2 LYS 48 -1.172 40.896 -0.192 385 HZ3 LYS 48 HZ3 LYS 48 -1.272 42.561 0.077 386 H LYS 49 HN LYS 49 -5.783 37.215 2.790 387 HA LYS 49 HA LYS 49 -5.158 34.414 2.749 388 HB2 LYS 49 HB2 LYS 49 -7.250 36.151 1.486 389 HB3 LYS 49 HB1 LYS 49 -6.943 34.581 0.762 390 HG2 LYS 49 HG2 LYS 49 -8.787 34.392 2.274 391 HG3 LYS 49 HG1 LYS 49 -7.413 33.516 2.942 392 HD2 LYS 49 HD2 LYS 49 -6.951 35.379 4.461 393 HD3 LYS 49 HD1 LYS 49 -8.297 36.288 3.767 394 HE2 LYS 49 HE2 LYS 49 -9.853 34.535 4.511 395 HE3 LYS 49 HE1 LYS 49 -8.506 33.644 5.216 396 HZ1 LYS 49 HZ1 LYS 49 -9.721 34.928 6.865 397 HZ2 LYS 49 HZ2 LYS 49 -9.379 36.356 6.034 398 HZ3 LYS 49 HZ3 LYS 49 -8.128 35.467 6.735 399 H ALA 50 HN ALA 50 -3.294 33.877 1.763 400 HA ALA 50 HA ALA 50 -2.162 35.263 -0.430 401 HB1 ALA 50 HB1 ALA 50 -0.561 33.414 -0.527 402 HB2 ALA 50 HB2 ALA 50 -1.578 32.468 0.562 403 HB3 ALA 50 HB3 ALA 50 -0.815 33.951 1.135 404 H LYS 51 HN LYS 51 -3.010 35.315 -2.400 405 HA LYS 51 HA LYS 51 -3.955 32.816 -3.630 406 HB2 LYS 51 HB2 LYS 51 -5.359 35.495 -3.767 407 HB3 LYS 51 HB1 LYS 51 -5.745 34.115 -4.785 408 HG2 LYS 51 HG2 LYS 51 -6.197 32.838 -2.628 409 HG3 LYS 51 HG1 LYS 51 -6.129 34.405 -1.815 410 HD2 LYS 51 HD2 LYS 51 -8.434 33.831 -2.340 411 HD3 LYS 51 HD1 LYS 51 -7.924 35.229 -3.293 412 HE2 LYS 51 HE2 LYS 51 -7.431 33.675 -5.187 413 HE3 LYS 51 HE1 LYS 51 -8.115 32.363 -4.231 414 HZ1 LYS 51 HZ1 LYS 51 -9.570 34.803 -5.096 415 HZ2 LYS 51 HZ2 LYS 51 -10.225 33.526 -4.200 416 HZ3 LYS 51 HZ3 LYS 51 -9.716 33.266 -5.793 417 H LYS 52 HN LYS 52 -4.047 32.971 -6.007 418 HA LYS 52 HA LYS 52 -2.096 34.892 -7.117 419 HB2 LYS 52 HB2 LYS 52 -2.509 32.012 -7.978 420 HB3 LYS 52 HB1 LYS 52 -1.368 33.150 -8.686 421 HG2 LYS 52 HG2 LYS 52 -0.118 33.224 -6.594 422 HG3 LYS 52 HG1 LYS 52 -1.280 32.126 -5.848 423 HD2 LYS 52 HD2 LYS 52 0.657 30.858 -6.515 424 HD3 LYS 52 HD1 LYS 52 -0.693 30.416 -7.560 425 HE2 LYS 52 HE2 LYS 52 1.301 30.658 -8.897 426 HE3 LYS 52 HE1 LYS 52 0.184 31.965 -9.285 427 HZ1 LYS 52 HZ1 LYS 52 1.470 33.444 -7.884 428 HZ2 LYS 52 HZ2 LYS 52 2.463 32.753 -9.064 429 HZ3 LYS 52 HZ3 LYS 52 2.529 32.189 -7.471 430 H SER 53 HN SER 53 -2.463 35.461 -9.348 431 HA SER 53 HA SER 53 -5.284 35.618 -9.989 432 HB2 SER 53 HB2 SER 53 -3.790 37.586 -10.270 433 HB3 SER 53 HB1 SER 53 -2.883 36.701 -11.496 434 HG SER 53 HG SER 53 -4.837 38.212 -12.003 435 H LYS 54 HN LYS 54 -6.123 34.983 -12.073 436 HA LYS 54 HA LYS 54 -5.437 32.341 -12.795 437 HB2 LYS 54 HB2 LYS 54 -7.060 32.634 -14.645 438 HB3 LYS 54 HB1 LYS 54 -7.708 33.159 -13.097 439 HG2 LYS 54 HG2 LYS 54 -7.514 35.445 -13.669 440 HG3 LYS 54 HG1 LYS 54 -6.483 35.088 -15.055 441 HD2 LYS 54 HD2 LYS 54 -9.381 34.264 -14.808 442 HD3 LYS 54 HD1 LYS 54 -8.808 35.686 -15.684 443 HE2 LYS 54 HE2 LYS 54 -8.105 32.809 -16.286 444 HE3 LYS 54 HE1 LYS 54 -9.197 33.833 -17.217 445 HZ1 LYS 54 HZ1 LYS 54 -6.273 34.231 -16.866 446 HZ2 LYS 54 HZ2 LYS 54 -7.296 35.313 -17.661 447 HZ3 LYS 54 HZ3 LYS 54 -7.065 33.756 -18.281 448 H SER 55 HN SER 55 -4.560 31.529 -14.725 449 HA SER 55 HA SER 55 -2.442 33.010 -15.915 450 HB2 SER 55 HB2 SER 55 -3.731 30.426 -16.856 451 HB3 SER 55 HB1 SER 55 -2.144 31.033 -17.328 452 HG SER 55 HG SER 55 -2.106 31.001 -14.720 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 1.668 53.841 -45.393 2 H2 MET 1 HT2 MET 1 2.770 53.449 -46.609 3 H3 MET 1 HT3 MET 1 3.295 54.257 -45.222 4 HA MET 1 HA MET 1 2.172 51.523 -45.291 5 HB2 MET 1 HB2 MET 1 4.477 50.785 -44.737 6 HB3 MET 1 HB1 MET 1 4.363 51.527 -46.325 7 HG2 MET 1 HG2 MET 1 5.355 53.565 -45.500 8 HG3 MET 1 HG1 MET 1 5.342 52.943 -43.851 9 HE1 MET 1 HE1 MET 1 6.197 50.810 -47.042 10 HE2 MET 1 HE2 MET 1 7.936 51.062 -47.183 11 HE3 MET 1 HE3 MET 1 6.826 52.399 -47.478 12 H GLN 2 HN GLN 2 1.467 50.812 -43.399 13 HA GLN 2 HA GLN 2 2.588 51.721 -40.895 14 HB2 GLN 2 HB2 GLN 2 0.942 53.501 -41.420 15 HB3 GLN 2 HB1 GLN 2 -0.322 52.283 -41.541 16 HG2 GLN 2 HG2 GLN 2 0.161 51.684 -39.148 17 HG3 GLN 2 HG1 GLN 2 1.219 53.095 -39.085 18 HE21 GLN 2 HE21 GLN 2 -2.049 51.963 -39.254 19 HE22 GLN 2 HE22 GLN 2 -2.807 53.483 -38.930 20 H LYS 3 HN LYS 3 2.560 50.069 -39.507 21 HA LYS 3 HA LYS 3 0.387 48.183 -39.396 22 HB2 LYS 3 HB2 LYS 3 1.728 47.259 -41.255 23 HB3 LYS 3 HB1 LYS 3 3.150 47.237 -40.221 24 HG2 LYS 3 HG2 LYS 3 2.138 45.571 -38.788 25 HG3 LYS 3 HG1 LYS 3 0.634 45.649 -39.710 26 HD2 LYS 3 HD2 LYS 3 3.317 44.772 -40.799 27 HD3 LYS 3 HD1 LYS 3 2.008 43.691 -40.318 28 HE2 LYS 3 HE2 LYS 3 0.571 44.611 -42.042 29 HE3 LYS 3 HE1 LYS 3 1.804 45.790 -42.483 30 HZ1 LYS 3 HZ1 LYS 3 1.823 43.961 -44.022 31 HZ2 LYS 3 HZ2 LYS 3 2.007 42.843 -42.767 32 HZ3 LYS 3 HZ3 LYS 3 3.249 43.928 -43.113 33 H ARG 4 HN ARG 4 0.445 46.929 -37.472 34 HA ARG 4 HA ARG 4 1.751 48.251 -35.306 35 HB2 ARG 4 HB2 ARG 4 -0.056 45.867 -35.537 36 HB3 ARG 4 HB1 ARG 4 0.796 46.157 -34.029 37 HG2 ARG 4 HG2 ARG 4 -1.495 47.047 -34.017 38 HG3 ARG 4 HG1 ARG 4 -0.280 48.296 -33.765 39 HD2 ARG 4 HD2 ARG 4 -1.437 47.755 -36.490 40 HD3 ARG 4 HD1 ARG 4 -2.255 48.805 -35.334 41 HE ARG 4 HE ARG 4 0.461 49.305 -36.384 42 HH11 ARG 4 HH11 ARG 4 -2.645 50.463 -35.263 43 HH12 ARG 4 HH12 ARG 4 -2.244 52.133 -35.502 44 HH21 ARG 4 HH21 ARG 4 0.993 51.509 -36.691 45 HH22 ARG 4 HH22 ARG 4 -0.180 52.727 -36.300 46 H GLU 5 HN GLU 5 3.943 48.027 -36.016 47 HA GLU 5 HA GLU 5 5.211 45.422 -35.906 48 HB2 GLU 5 HB2 GLU 5 6.370 48.214 -36.159 49 HB3 GLU 5 HB1 GLU 5 7.295 46.727 -36.303 50 HG2 GLU 5 HG2 GLU 5 5.003 47.469 -38.116 51 HG3 GLU 5 HG1 GLU 5 6.696 47.807 -38.468 52 H LEU 6 HN LEU 6 3.964 47.245 -33.583 53 HA LEU 6 HA LEU 6 6.164 47.427 -31.734 54 HB2 LEU 6 HB2 LEU 6 3.200 47.794 -31.269 55 HB3 LEU 6 HB1 LEU 6 4.478 48.250 -30.158 56 HG LEU 6 HG LEU 6 4.005 49.462 -32.889 57 HD11 LEU 6 HD11 LEU 6 3.548 50.609 -30.135 58 HD12 LEU 6 HD12 LEU 6 2.296 50.116 -31.278 59 HD13 LEU 6 HD13 LEU 6 3.357 51.471 -31.663 60 HD21 LEU 6 HD21 LEU 6 5.727 51.088 -32.240 61 HD22 LEU 6 HD22 LEU 6 6.373 49.452 -32.338 62 HD23 LEU 6 HD23 LEU 6 6.033 50.172 -30.764 63 H TYR 7 HN TYR 7 4.004 45.010 -32.688 64 HA TYR 7 HA TYR 7 3.628 42.879 -32.025 65 HB2 TYR 7 HB2 TYR 7 5.989 43.332 -30.177 66 HB3 TYR 7 HB1 TYR 7 5.296 41.767 -30.593 67 HD1 TYR 7 HD1 TYR 7 5.156 41.340 -33.249 68 HD2 TYR 7 HD2 TYR 7 7.895 43.986 -31.332 69 HE1 TYR 7 HE1 TYR 7 6.662 41.183 -35.184 70 HE2 TYR 7 HE2 TYR 7 9.401 43.830 -33.267 71 HH TYR 7 HH TYR 7 8.449 42.499 -36.239 72 H GLU 8 HN GLU 8 3.690 41.564 -29.632 73 HA GLU 8 HA GLU 8 1.693 43.052 -28.062 74 HB2 GLU 8 HB2 GLU 8 2.227 40.077 -28.273 75 HB3 GLU 8 HB1 GLU 8 0.981 40.809 -27.265 76 HG2 GLU 8 HG2 GLU 8 -0.230 41.572 -29.158 77 HG3 GLU 8 HG1 GLU 8 1.104 41.197 -30.247 78 H ILE 9 HN ILE 9 1.790 43.063 -25.807 79 HA ILE 9 HA ILE 9 4.482 43.174 -24.772 80 HB ILE 9 HB ILE 9 3.449 44.048 -22.711 81 HG12 ILE 9 HG12 ILE 9 0.828 43.567 -24.171 82 HG13 ILE 9 HG11 ILE 9 1.379 42.721 -22.730 83 HG21 ILE 9 HG21 ILE 9 2.404 45.332 -25.244 84 HG22 ILE 9 HG22 ILE 9 3.994 45.587 -24.524 85 HG23 ILE 9 HG23 ILE 9 2.547 46.124 -23.673 86 HD11 ILE 9 HD11 ILE 9 1.265 44.811 -21.466 87 HD12 ILE 9 HD12 ILE 9 -0.288 44.393 -22.186 88 HD13 ILE 9 HD13 ILE 9 0.708 45.653 -22.914 89 H ALA 10 HN ALA 10 4.784 42.356 -22.426 90 HA ALA 10 HA ALA 10 4.053 39.505 -22.395 91 HB1 ALA 10 HB1 ALA 10 6.023 39.193 -20.979 92 HB2 ALA 10 HB2 ALA 10 6.327 40.931 -21.004 93 HB3 ALA 10 HB3 ALA 10 6.451 39.990 -22.492 94 H ASP 11 HN ASP 11 4.483 38.828 -19.805 95 HA ASP 11 HA ASP 11 2.275 40.186 -18.422 96 HB2 ASP 11 HB2 ASP 11 3.651 37.547 -17.842 97 HB3 ASP 11 HB1 ASP 11 2.331 38.219 -16.890 98 H GLY 12 HN GLY 12 2.463 41.029 -16.375 99 HA2 GLY 12 HA2 GLY 12 5.177 41.590 -15.424 100 HA3 GLY 12 HA1 GLY 12 3.691 42.336 -14.848 101 H LYS 13 HN LYS 13 5.061 41.733 -12.801 102 HA LYS 13 HA LYS 13 4.181 39.062 -11.898 103 HB2 LYS 13 HB2 LYS 13 6.620 39.371 -11.830 104 HB3 LYS 13 HB1 LYS 13 6.422 40.789 -10.810 105 HG2 LYS 13 HG2 LYS 13 5.627 39.473 -8.989 106 HG3 LYS 13 HG1 LYS 13 5.482 38.040 -10.009 107 HD2 LYS 13 HD2 LYS 13 7.470 37.909 -8.591 108 HD3 LYS 13 HD1 LYS 13 7.911 37.989 -10.296 109 HE2 LYS 13 HE2 LYS 13 8.374 40.398 -10.041 110 HE3 LYS 13 HE1 LYS 13 7.973 40.283 -8.328 111 HZ1 LYS 13 HZ1 LYS 13 10.168 38.809 -9.678 112 HZ2 LYS 13 HZ2 LYS 13 9.805 38.753 -8.028 113 HZ3 LYS 13 HZ3 LYS 13 10.360 40.191 -8.726 114 H LEU 14 HN LEU 14 4.122 42.489 -11.274 115 HA LEU 14 HA LEU 14 2.739 42.351 -8.788 116 HB2 LEU 14 HB2 LEU 14 2.165 44.759 -9.284 117 HB3 LEU 14 HB1 LEU 14 3.872 44.376 -9.234 118 HG LEU 14 HG LEU 14 3.740 44.244 -11.806 119 HD11 LEU 14 HD11 LEU 14 1.186 45.765 -11.278 120 HD12 LEU 14 HD12 LEU 14 1.332 44.195 -12.069 121 HD13 LEU 14 HD13 LEU 14 1.997 45.632 -12.840 122 HD21 LEU 14 HD21 LEU 14 3.380 46.896 -10.410 123 HD22 LEU 14 HD22 LEU 14 4.068 46.660 -12.017 124 HD23 LEU 14 HD23 LEU 14 4.896 46.015 -10.600 125 H VAL 15 HN VAL 15 0.490 42.790 -8.402 126 HA VAL 15 HA VAL 15 -1.160 41.727 -10.592 127 HB VAL 15 HB VAL 15 -2.817 41.125 -8.799 128 HG11 VAL 15 HG11 VAL 15 -1.302 39.475 -9.773 129 HG12 VAL 15 HG12 VAL 15 -1.578 39.140 -8.064 130 HG13 VAL 15 HG13 VAL 15 -0.067 39.888 -8.580 131 HG21 VAL 15 HG21 VAL 15 -2.099 42.650 -7.038 132 HG22 VAL 15 HG22 VAL 15 -0.533 41.844 -6.947 133 HG23 VAL 15 HG23 VAL 15 -1.999 40.983 -6.473 134 H ARG 16 HN ARG 16 -1.124 43.913 -11.468 135 HA ARG 16 HA ARG 16 -2.309 45.707 -12.147 136 HB2 ARG 16 HB2 ARG 16 -4.447 44.132 -10.722 137 HB3 ARG 16 HB1 ARG 16 -4.806 45.621 -11.591 138 HG2 ARG 16 HG2 ARG 16 -3.975 44.660 -13.658 139 HG3 ARG 16 HG1 ARG 16 -3.499 43.190 -12.810 140 HD2 ARG 16 HD2 ARG 16 -5.770 42.603 -12.385 141 HD3 ARG 16 HD1 ARG 16 -6.343 44.186 -12.910 142 HE ARG 16 HE ARG 16 -6.206 43.504 -15.096 143 HH11 ARG 16 HH11 ARG 16 -4.565 41.133 -13.091 144 HH12 ARG 16 HH12 ARG 16 -4.412 39.975 -14.372 145 HH21 ARG 16 HH21 ARG 16 -5.995 41.985 -16.764 146 HH22 ARG 16 HH22 ARG 16 -5.239 40.451 -16.450 147 H LYS 17 HN LYS 17 -4.582 46.940 -10.714 148 HA LYS 17 HA LYS 17 -2.881 48.948 -9.507 149 HB2 LYS 17 HB2 LYS 17 -4.660 49.374 -11.256 150 HB3 LYS 17 HB1 LYS 17 -5.863 49.029 -10.026 151 HG2 LYS 17 HG2 LYS 17 -5.599 51.411 -10.304 152 HG3 LYS 17 HG1 LYS 17 -5.044 50.926 -8.700 153 HD2 LYS 17 HD2 LYS 17 -2.738 51.068 -9.399 154 HD3 LYS 17 HD1 LYS 17 -3.220 51.367 -11.071 155 HE2 LYS 17 HE2 LYS 17 -3.820 53.181 -8.729 156 HE3 LYS 17 HE1 LYS 17 -2.526 53.424 -9.903 157 HZ1 LYS 17 HZ1 LYS 17 -4.162 53.629 -11.648 158 HZ2 LYS 17 HZ2 LYS 17 -4.498 54.742 -10.422 159 HZ3 LYS 17 HZ3 LYS 17 -5.421 53.335 -10.557 160 H HIS 18 HN HIS 18 -3.570 46.423 -8.016 161 HA HIS 18 HA HIS 18 -3.972 45.777 -5.884 162 HB2 HIS 18 HB2 HIS 18 -3.850 48.758 -5.382 163 HB3 HIS 18 HB1 HIS 18 -4.041 47.578 -4.091 164 HD1 HIS 18 HD1 HIS 18 -1.944 46.467 -3.227 165 HD2 HIS 18 HD2 HIS 18 -1.316 48.577 -6.758 166 HE1 HIS 18 HE1 HIS 18 0.543 46.481 -3.575 167 HE2 HIS 18 HE2 HIS 18 0.902 47.918 -5.608 168 H ARG 19 HN ARG 19 -5.577 46.468 -3.884 169 HA ARG 19 HA ARG 19 -8.247 46.808 -5.094 170 HB2 ARG 19 HB2 ARG 19 -7.402 44.790 -2.998 171 HB3 ARG 19 HB1 ARG 19 -9.073 45.103 -3.460 172 HG2 ARG 19 HG2 ARG 19 -8.630 44.359 -5.720 173 HG3 ARG 19 HG1 ARG 19 -6.923 44.135 -5.342 174 HD2 ARG 19 HD2 ARG 19 -7.477 42.377 -3.756 175 HD3 ARG 19 HD1 ARG 19 -9.200 42.642 -4.036 176 HE ARG 19 HE ARG 19 -8.920 41.797 -6.266 177 HH11 ARG 19 HH11 ARG 19 -6.168 41.301 -4.160 178 HH12 ARG 19 HH12 ARG 19 -5.507 40.015 -5.118 179 HH21 ARG 19 HH21 ARG 19 -8.059 40.112 -7.524 180 HH22 ARG 19 HH22 ARG 19 -6.587 39.334 -7.026 181 H PHE 20 HN PHE 20 -9.869 47.650 -3.718 182 HA PHE 20 HA PHE 20 -8.837 49.169 -1.401 183 HB2 PHE 20 HB2 PHE 20 -11.060 50.005 -3.289 184 HB3 PHE 20 HB1 PHE 20 -10.382 50.962 -1.975 185 HD1 PHE 20 HD2 PHE 20 -8.018 51.780 -2.155 186 HD2 PHE 20 HD1 PHE 20 -10.060 49.988 -5.435 187 HE1 PHE 20 HE2 PHE 20 -6.368 52.739 -3.704 188 HE2 PHE 20 HE1 PHE 20 -8.407 50.942 -6.987 189 HZ PHE 20 HZ PHE 20 -6.558 52.319 -6.123 190 H CYS 21 HN CYS 21 -10.965 49.998 -0.112 191 HA CYS 21 HA CYS 21 -12.241 47.581 0.836 192 HB2 CYS 21 HB2 CYS 21 -11.539 49.448 2.343 193 HB3 CYS 21 HB1 CYS 21 -12.772 50.462 1.611 194 HA PRO 22 HA PRO 22 -15.696 47.505 -1.883 195 HB2 PRO 22 HB2 PRO 22 -17.380 46.959 0.519 196 HB3 PRO 22 HB1 PRO 22 -17.244 46.055 -0.994 197 HG2 PRO 22 HG2 PRO 22 -16.101 45.196 1.267 198 HG3 PRO 22 HG1 PRO 22 -15.341 44.944 -0.314 199 HD2 PRO 22 HD2 PRO 22 -14.625 46.853 1.856 200 HD3 PRO 22 HD1 PRO 22 -13.583 46.055 0.660 201 H ARG 23 HN ARG 23 -17.080 48.705 1.188 202 HA ARG 23 HA ARG 23 -18.772 50.454 -0.306 203 HB2 ARG 23 HB2 ARG 23 -18.474 50.137 2.683 204 HB3 ARG 23 HB1 ARG 23 -19.730 51.078 1.886 205 HG2 ARG 23 HG2 ARG 23 -20.363 48.909 0.687 206 HG3 ARG 23 HG1 ARG 23 -19.331 48.096 1.863 207 HD2 ARG 23 HD2 ARG 23 -21.753 49.797 2.470 208 HD3 ARG 23 HD1 ARG 23 -21.659 48.041 2.571 209 HE ARG 23 HE ARG 23 -20.428 49.973 4.401 210 HH11 ARG 23 HH11 ARG 23 -21.056 46.634 3.547 211 HH12 ARG 23 HH12 ARG 23 -20.742 46.034 5.143 212 HH21 ARG 23 HH21 ARG 23 -20.024 49.197 6.500 213 HH22 ARG 23 HH22 ARG 23 -20.157 47.500 6.832 214 H CYS 24 HN CYS 24 -15.948 50.951 1.793 215 HA CYS 24 HA CYS 24 -16.189 53.834 1.657 216 HB2 CYS 24 HB2 CYS 24 -13.665 52.402 2.451 217 HB3 CYS 24 HB1 CYS 24 -14.244 53.974 2.976 218 H GLY 25 HN GLY 25 -15.307 51.605 -0.599 219 HA2 GLY 25 HA2 GLY 25 -12.815 52.076 -1.558 220 HA3 GLY 25 HA1 GLY 25 -14.181 51.753 -2.606 221 HA PRO 26 HA PRO 26 -14.184 55.965 -4.151 222 HB2 PRO 26 HB2 PRO 26 -16.764 56.616 -2.823 223 HB3 PRO 26 HB1 PRO 26 -16.324 56.699 -4.533 224 HG2 PRO 26 HG2 PRO 26 -17.924 54.762 -3.622 225 HG3 PRO 26 HG1 PRO 26 -16.717 54.434 -4.880 226 HD2 PRO 26 HD2 PRO 26 -16.616 53.806 -1.946 227 HD3 PRO 26 HD1 PRO 26 -16.084 52.826 -3.330 228 H GLY 27 HN GLY 27 -12.424 56.495 -2.716 229 HA2 GLY 27 HA2 GLY 27 -11.867 58.676 -1.741 230 HA3 GLY 27 HA1 GLY 27 -13.241 58.473 -0.671 231 H VAL 28 HN VAL 28 -12.434 55.535 -0.323 232 HA VAL 28 HA VAL 28 -10.146 56.009 1.490 233 HB VAL 28 HB VAL 28 -12.537 54.283 2.173 234 HG11 VAL 28 HG11 VAL 28 -10.157 55.129 3.838 235 HG12 VAL 28 HG12 VAL 28 -10.469 53.514 3.204 236 HG13 VAL 28 HG13 VAL 28 -11.537 54.203 4.426 237 HG21 VAL 28 HG21 VAL 28 -11.828 57.037 3.222 238 HG22 VAL 28 HG22 VAL 28 -13.132 56.012 3.824 239 HG23 VAL 28 HG23 VAL 28 -13.192 56.637 2.176 240 H PHE 29 HN PHE 29 -8.522 54.746 1.006 241 HA PHE 29 HA PHE 29 -8.799 52.419 -0.653 242 HB2 PHE 29 HB2 PHE 29 -6.350 52.216 -0.382 243 HB3 PHE 29 HB1 PHE 29 -6.816 53.846 -0.849 244 HD1 PHE 29 HD2 PHE 29 -6.700 55.690 0.803 245 HD2 PHE 29 HD1 PHE 29 -5.292 51.772 1.721 246 HE1 PHE 29 HE2 PHE 29 -5.448 56.589 2.721 247 HE2 PHE 29 HE1 PHE 29 -4.041 52.672 3.638 248 HZ PHE 29 HZ PHE 29 -4.119 55.080 4.140 249 H LEU 30 HN LEU 30 -7.221 50.496 0.254 250 HA LEU 30 HA LEU 30 -8.223 49.776 2.938 251 HB2 LEU 30 HB2 LEU 30 -9.180 48.426 1.056 252 HB3 LEU 30 HB1 LEU 30 -7.558 47.900 0.654 253 HG LEU 30 HG LEU 30 -7.375 46.779 2.842 254 HD11 LEU 30 HD11 LEU 30 -10.249 47.630 3.224 255 HD12 LEU 30 HD12 LEU 30 -8.860 48.225 4.134 256 HD13 LEU 30 HD13 LEU 30 -9.342 46.536 4.270 257 HD21 LEU 30 HD21 LEU 30 -8.966 44.965 2.396 258 HD22 LEU 30 HD22 LEU 30 -8.175 45.514 0.919 259 HD23 LEU 30 HD23 LEU 30 -9.833 46.006 1.263 260 H ALA 31 HN ALA 31 -6.638 49.634 4.411 261 HA ALA 31 HA ALA 31 -3.938 50.089 3.695 262 HB1 ALA 31 HB1 ALA 31 -3.450 49.850 6.074 263 HB2 ALA 31 HB2 ALA 31 -5.064 49.196 6.350 264 HB3 ALA 31 HB3 ALA 31 -4.870 50.866 5.815 265 H GLU 32 HN GLU 32 -3.307 48.470 2.301 266 HA GLU 32 HA GLU 32 -3.387 45.699 3.039 267 HB2 GLU 32 HB2 GLU 32 -3.515 46.346 0.696 268 HB3 GLU 32 HB1 GLU 32 -1.957 47.152 0.795 269 HG2 GLU 32 HG2 GLU 32 -0.825 45.052 1.103 270 HG3 GLU 32 HG1 GLU 32 -2.362 44.194 1.205 271 H HIS 33 HN HIS 33 -2.229 45.217 4.826 272 HA HIS 33 HA HIS 33 0.628 45.961 4.890 273 HB2 HIS 33 HB2 HIS 33 -1.067 44.798 7.126 274 HB3 HIS 33 HB1 HIS 33 0.595 45.357 7.260 275 HD1 HIS 33 HD1 HIS 33 0.978 47.870 7.563 276 HD2 HIS 33 HD2 HIS 33 -3.012 46.849 6.987 277 HE1 HIS 33 HE1 HIS 33 -0.339 49.934 8.125 278 HE2 HIS 33 HE2 HIS 33 -2.751 49.226 7.959 279 H ALA 34 HN ALA 34 2.172 44.279 5.361 280 HA ALA 34 HA ALA 34 1.817 41.928 3.871 281 HB1 ALA 34 HB1 ALA 34 3.949 41.203 4.825 282 HB2 ALA 34 HB2 ALA 34 3.845 42.474 6.045 283 HB3 ALA 34 HB3 ALA 34 4.016 42.898 4.342 284 H ASP 35 HN ASP 35 1.065 42.683 7.156 285 HA ASP 35 HA ASP 35 0.748 39.940 8.013 286 HB2 ASP 35 HB2 ASP 35 1.396 41.723 9.609 287 HB3 ASP 35 HB1 ASP 35 -0.153 42.516 9.342 288 H ARG 36 HN ARG 36 -1.332 42.587 6.912 289 HA ARG 36 HA ARG 36 -3.479 40.987 6.133 290 HB2 ARG 36 HB2 ARG 36 -5.108 41.366 7.909 291 HB3 ARG 36 HB1 ARG 36 -3.715 40.497 8.531 292 HG2 ARG 36 HG2 ARG 36 -2.848 42.655 9.429 293 HG3 ARG 36 HG1 ARG 36 -4.363 43.413 8.931 294 HD2 ARG 36 HD2 ARG 36 -5.590 41.780 10.340 295 HD3 ARG 36 HD1 ARG 36 -4.043 41.139 10.892 296 HE ARG 36 HE ARG 36 -4.746 43.966 11.329 297 HH11 ARG 36 HH11 ARG 36 -3.777 40.846 12.569 298 HH12 ARG 36 HH12 ARG 36 -3.633 41.391 14.207 299 HH21 ARG 36 HH21 ARG 36 -4.556 44.700 13.465 300 HH22 ARG 36 HH22 ARG 36 -4.075 43.600 14.720 301 H TYR 37 HN TYR 37 -5.543 42.299 5.926 302 HA TYR 37 HA TYR 37 -4.917 45.028 5.061 303 HB2 TYR 37 HB2 TYR 37 -7.368 43.300 4.575 304 HB3 TYR 37 HB1 TYR 37 -7.107 44.905 3.905 305 HD1 TYR 37 HD1 TYR 37 -5.681 41.455 3.924 306 HD2 TYR 37 HD2 TYR 37 -6.031 45.152 1.835 307 HE1 TYR 37 HE1 TYR 37 -4.591 40.449 1.966 308 HE2 TYR 37 HE2 TYR 37 -4.938 44.151 -0.125 309 HH TYR 37 HH TYR 37 -3.638 42.375 -0.803 310 H SER 38 HN SER 38 -5.863 46.795 6.019 311 HA SER 38 HA SER 38 -7.967 46.339 8.021 312 HB2 SER 38 HB2 SER 38 -6.801 48.068 9.474 313 HB3 SER 38 HB1 SER 38 -5.976 46.514 9.344 314 HG SER 38 HG SER 38 -5.019 48.910 8.773 315 H CYS 39 HN CYS 39 -9.378 48.100 8.357 316 HA CYS 39 HA CYS 39 -9.064 50.396 6.534 317 HB2 CYS 39 HB2 CYS 39 -10.654 48.850 5.508 318 HB3 CYS 39 HB1 CYS 39 -11.602 48.818 6.981 319 H GLY 40 HN GLY 40 -8.381 51.607 8.383 320 HA2 GLY 40 HA2 GLY 40 -10.014 52.080 10.643 321 HA3 GLY 40 HA1 GLY 40 -8.776 53.165 10.022 322 H ARG 41 HN ARG 41 -12.093 52.099 9.478 323 HA ARG 41 HA ARG 41 -13.118 54.696 9.059 324 HB2 ARG 41 HB2 ARG 41 -11.878 54.383 6.899 325 HB3 ARG 41 HB1 ARG 41 -12.893 52.988 6.560 326 HG2 ARG 41 HG2 ARG 41 -13.675 54.947 5.355 327 HG3 ARG 41 HG1 ARG 41 -14.874 54.431 6.543 328 HD2 ARG 41 HD2 ARG 41 -14.039 56.163 8.094 329 HD3 ARG 41 HD1 ARG 41 -12.906 56.702 6.855 330 HE ARG 41 HE ARG 41 -15.157 56.971 5.526 331 HH11 ARG 41 HH11 ARG 41 -14.507 57.760 8.874 332 HH12 ARG 41 HH12 ARG 41 -15.639 59.075 8.917 333 HH21 ARG 41 HH21 ARG 41 -16.668 58.686 5.585 334 HH22 ARG 41 HH22 ARG 41 -16.893 59.579 7.055 335 H CYS 42 HN CYS 42 -13.469 51.220 8.467 336 HA CYS 42 HA CYS 42 -16.167 51.404 9.607 337 HB2 CYS 42 HB2 CYS 42 -17.116 49.859 7.998 338 HB3 CYS 42 HB1 CYS 42 -16.447 51.246 7.150 339 H GLY 43 HN GLY 43 -13.150 50.081 9.800 340 HA2 GLY 43 HA2 GLY 43 -12.357 48.539 11.310 341 HA3 GLY 43 HA1 GLY 43 -14.014 48.179 11.778 342 H TYR 44 HN TYR 44 -12.975 48.040 8.467 343 HA TYR 44 HA TYR 44 -13.504 45.186 8.380 344 HB2 TYR 44 HB2 TYR 44 -14.355 46.706 6.585 345 HB3 TYR 44 HB1 TYR 44 -12.690 47.049 6.127 346 HD1 TYR 44 HD1 TYR 44 -15.239 44.367 6.338 347 HD2 TYR 44 HD2 TYR 44 -11.478 45.543 4.715 348 HE1 TYR 44 HE1 TYR 44 -15.267 42.404 4.862 349 HE2 TYR 44 HE2 TYR 44 -11.500 43.580 3.235 350 HH TYR 44 HH TYR 44 -12.539 41.334 3.151 351 H THR 45 HN THR 45 -11.920 43.933 9.049 352 HA THR 45 HA THR 45 -9.194 44.397 8.034 353 HB THR 45 HB THR 45 -9.890 43.401 10.818 354 HG1 THR 45 HG1 THR 45 -9.014 45.443 11.476 355 HG21 THR 45 HG21 THR 45 -7.216 44.093 9.578 356 HG22 THR 45 HG22 THR 45 -7.789 42.468 9.954 357 HG23 THR 45 HG23 THR 45 -7.481 43.617 11.257 358 H GLU 46 HN GLU 46 -8.236 42.607 7.178 359 HA GLU 46 HA GLU 46 -9.319 39.950 7.760 360 HB2 GLU 46 HB2 GLU 46 -10.564 40.667 5.778 361 HB3 GLU 46 HB1 GLU 46 -9.066 41.090 4.961 362 HG2 GLU 46 HG2 GLU 46 -10.004 38.960 4.173 363 HG3 GLU 46 HG1 GLU 46 -8.398 38.773 4.875 364 H PHE 47 HN PHE 47 -7.773 38.403 7.804 365 HA PHE 47 HA PHE 47 -5.063 39.300 7.875 366 HB2 PHE 47 HB2 PHE 47 -6.315 36.585 8.288 367 HB3 PHE 47 HB1 PHE 47 -4.586 36.884 8.439 368 HD1 PHE 47 HD1 PHE 47 -3.706 38.241 10.256 369 HD2 PHE 47 HD2 PHE 47 -7.869 37.373 9.964 370 HE1 PHE 47 HE1 PHE 47 -4.018 38.945 12.596 371 HE2 PHE 47 HE2 PHE 47 -8.182 38.076 12.302 372 HZ PHE 47 HZ PHE 47 -6.256 38.861 13.620 373 H LYS 48 HN LYS 48 -3.293 38.471 6.714 374 HA LYS 48 HA LYS 48 -3.741 38.322 3.911 375 HB2 LYS 48 HB2 LYS 48 -1.360 38.250 5.704 376 HB3 LYS 48 HB1 LYS 48 -1.160 37.617 4.077 377 HG2 LYS 48 HG2 LYS 48 -2.245 40.367 4.661 378 HG3 LYS 48 HG1 LYS 48 -0.535 40.024 4.385 379 HD2 LYS 48 HD2 LYS 48 -1.192 39.013 2.174 380 HD3 LYS 48 HD1 LYS 48 -2.826 39.618 2.455 381 HE2 LYS 48 HE2 LYS 48 -2.008 41.902 2.509 382 HE3 LYS 48 HE1 LYS 48 -0.343 41.340 2.353 383 HZ1 LYS 48 HZ1 LYS 48 -1.135 42.083 0.233 384 HZ2 LYS 48 HZ2 LYS 48 -2.496 41.087 0.321 385 HZ3 LYS 48 HZ3 LYS 48 -0.957 40.403 0.171 386 H LYS 49 HN LYS 49 -4.288 36.626 2.761 387 HA LYS 49 HA LYS 49 -3.698 33.903 3.651 388 HB2 LYS 49 HB2 LYS 49 -5.410 35.125 1.501 389 HB3 LYS 49 HB1 LYS 49 -4.888 33.458 1.320 390 HG2 LYS 49 HG2 LYS 49 -7.135 33.660 2.304 391 HG3 LYS 49 HG1 LYS 49 -5.997 32.829 3.364 392 HD2 LYS 49 HD2 LYS 49 -5.674 34.943 4.616 393 HD3 LYS 49 HD1 LYS 49 -6.884 35.711 3.585 394 HE2 LYS 49 HE2 LYS 49 -8.612 34.304 4.425 395 HE3 LYS 49 HE1 LYS 49 -7.452 33.252 5.237 396 HZ1 LYS 49 HZ1 LYS 49 -8.546 34.740 6.787 397 HZ2 LYS 49 HZ2 LYS 49 -7.986 36.088 5.935 398 HZ3 LYS 49 HZ3 LYS 49 -6.887 35.062 6.715 399 H ALA 50 HN ALA 50 -3.208 32.575 1.331 400 HA ALA 50 HA ALA 50 -0.509 33.297 0.688 401 HB1 ALA 50 HB1 ALA 50 -0.539 31.319 -0.745 402 HB2 ALA 50 HB2 ALA 50 -2.288 31.191 -0.550 403 HB3 ALA 50 HB3 ALA 50 -1.227 30.956 0.839 404 H LYS 51 HN LYS 51 -3.147 34.813 -0.212 405 HA LYS 51 HA LYS 51 -3.318 34.988 -2.957 406 HB2 LYS 51 HB2 LYS 51 -4.804 36.040 -1.251 407 HB3 LYS 51 HB1 LYS 51 -3.589 37.284 -1.023 408 HG2 LYS 51 HG2 LYS 51 -3.889 38.118 -3.229 409 HG3 LYS 51 HG1 LYS 51 -4.855 36.717 -3.699 410 HD2 LYS 51 HD2 LYS 51 -5.637 38.806 -1.655 411 HD3 LYS 51 HD1 LYS 51 -6.281 38.668 -3.294 412 HE2 LYS 51 HE2 LYS 51 -6.462 36.435 -1.279 413 HE3 LYS 51 HE1 LYS 51 -7.706 37.677 -1.427 414 HZ1 LYS 51 HZ1 LYS 51 -8.066 35.535 -2.676 415 HZ2 LYS 51 HZ2 LYS 51 -6.837 36.029 -3.725 416 HZ3 LYS 51 HZ3 LYS 51 -8.243 36.955 -3.572 417 H LYS 52 HN LYS 52 -1.431 35.081 -4.155 418 HA LYS 52 HA LYS 52 0.062 37.491 -4.293 419 HB2 LYS 52 HB2 LYS 52 1.050 36.672 -2.213 420 HB3 LYS 52 HB1 LYS 52 1.400 35.120 -2.955 421 HG2 LYS 52 HG2 LYS 52 3.417 36.440 -2.782 422 HG3 LYS 52 HG1 LYS 52 2.988 36.214 -4.478 423 HD2 LYS 52 HD2 LYS 52 2.007 38.468 -4.525 424 HD3 LYS 52 HD1 LYS 52 2.441 38.689 -2.828 425 HE2 LYS 52 HE2 LYS 52 4.802 38.498 -3.382 426 HE3 LYS 52 HE1 LYS 52 4.404 38.182 -5.070 427 HZ1 LYS 52 HZ1 LYS 52 3.771 40.693 -3.611 428 HZ2 LYS 52 HZ2 LYS 52 3.479 40.387 -5.251 429 HZ3 LYS 52 HZ3 LYS 52 5.069 40.483 -4.679 430 H SER 53 HN SER 53 1.290 37.593 -6.132 431 HA SER 53 HA SER 53 2.469 36.997 -7.970 432 HB2 SER 53 HB2 SER 53 3.446 35.178 -6.610 433 HB3 SER 53 HB1 SER 53 2.101 34.130 -7.055 434 HG SER 53 HG SER 53 3.448 33.604 -8.601 435 H LYS 54 HN LYS 54 1.069 37.726 -9.475 436 HA LYS 54 HA LYS 54 -0.135 37.618 -11.387 437 HB2 LYS 54 HB2 LYS 54 1.343 35.760 -11.949 438 HB3 LYS 54 HB1 LYS 54 0.312 34.637 -11.076 439 HG2 LYS 54 HG2 LYS 54 -1.485 35.022 -12.688 440 HG3 LYS 54 HG1 LYS 54 -0.467 36.174 -13.554 441 HD2 LYS 54 HD2 LYS 54 1.107 34.426 -14.124 442 HD3 LYS 54 HD1 LYS 54 0.228 33.260 -13.133 443 HE2 LYS 54 HE2 LYS 54 -0.909 34.660 -15.557 444 HE3 LYS 54 HE1 LYS 54 -0.224 33.036 -15.568 445 HZ1 LYS 54 HZ1 LYS 54 -2.589 33.899 -13.978 446 HZ2 LYS 54 HZ2 LYS 54 -1.926 32.346 -13.993 447 HZ3 LYS 54 HZ3 LYS 54 -2.632 32.973 -15.395 448 H SER 55 HN SER 55 -2.234 37.050 -12.308 449 HA SER 55 HA SER 55 -4.144 35.938 -10.359 450 HB2 SER 55 HB2 SER 55 -4.441 38.393 -10.754 451 HB3 SER 55 HB1 SER 55 -4.698 38.060 -12.466 452 HG SER 55 HG SER 55 -6.527 36.826 -11.874 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -29.369 63.963 -33.874 2 H2 MET 1 HT2 MET 1 -30.011 62.722 -34.825 3 H3 MET 1 HT3 MET 1 -28.436 62.600 -34.231 4 HA MET 1 HA MET 1 -30.880 62.674 -32.563 5 HB2 MET 1 HB2 MET 1 -29.085 60.364 -33.344 6 HB3 MET 1 HB1 MET 1 -30.267 60.288 -32.046 7 HG2 MET 1 HG2 MET 1 -32.054 60.736 -33.675 8 HG3 MET 1 HG1 MET 1 -30.851 60.736 -34.965 9 HE1 MET 1 HE1 MET 1 -32.737 57.338 -35.553 10 HE2 MET 1 HE2 MET 1 -32.235 58.865 -36.277 11 HE3 MET 1 HE3 MET 1 -33.449 58.853 -34.998 12 H GLN 2 HN GLN 2 -27.447 61.702 -32.602 13 HA GLN 2 HA GLN 2 -27.083 62.994 -29.984 14 HB2 GLN 2 HB2 GLN 2 -27.404 60.539 -29.657 15 HB3 GLN 2 HB1 GLN 2 -26.031 60.242 -30.715 16 HG2 GLN 2 HG2 GLN 2 -24.597 61.497 -29.122 17 HG3 GLN 2 HG1 GLN 2 -25.986 61.642 -28.045 18 HE21 GLN 2 HE21 GLN 2 -25.012 60.482 -26.399 19 HE22 GLN 2 HE22 GLN 2 -24.743 58.777 -26.492 20 H LYS 3 HN LYS 3 -25.007 63.824 -29.640 21 HA LYS 3 HA LYS 3 -23.369 64.034 -32.080 22 HB2 LYS 3 HB2 LYS 3 -23.476 65.880 -29.678 23 HB3 LYS 3 HB1 LYS 3 -22.486 66.121 -31.113 24 HG2 LYS 3 HG2 LYS 3 -24.549 66.283 -32.468 25 HG3 LYS 3 HG1 LYS 3 -25.501 66.134 -30.989 26 HD2 LYS 3 HD2 LYS 3 -24.446 68.179 -30.115 27 HD3 LYS 3 HD1 LYS 3 -23.515 68.331 -31.606 28 HE2 LYS 3 HE2 LYS 3 -25.641 68.501 -32.869 29 HE3 LYS 3 HE1 LYS 3 -26.521 68.448 -31.341 30 HZ1 LYS 3 HZ1 LYS 3 -26.231 70.712 -32.119 31 HZ2 LYS 3 HZ2 LYS 3 -24.550 70.522 -32.132 32 HZ3 LYS 3 HZ3 LYS 3 -25.395 70.473 -30.670 33 H ARG 4 HN ARG 4 -21.079 64.010 -31.878 34 HA ARG 4 HA ARG 4 -20.023 62.226 -29.886 35 HB2 ARG 4 HB2 ARG 4 -19.260 62.540 -32.349 36 HB3 ARG 4 HB1 ARG 4 -18.398 63.954 -31.764 37 HG2 ARG 4 HG2 ARG 4 -16.857 62.144 -31.882 38 HG3 ARG 4 HG1 ARG 4 -17.172 62.462 -30.177 39 HD2 ARG 4 HD2 ARG 4 -18.740 60.373 -31.663 40 HD3 ARG 4 HD1 ARG 4 -17.137 60.007 -31.027 41 HE ARG 4 HE ARG 4 -18.095 60.734 -28.810 42 HH11 ARG 4 HH11 ARG 4 -20.188 59.438 -31.313 43 HH12 ARG 4 HH12 ARG 4 -21.277 58.707 -30.178 44 HH21 ARG 4 HH21 ARG 4 -19.509 59.766 -27.344 45 HH22 ARG 4 HH22 ARG 4 -20.899 58.899 -27.921 46 H GLU 5 HN GLU 5 -20.054 63.092 -27.837 47 HA GLU 5 HA GLU 5 -19.372 65.939 -27.540 48 HB2 GLU 5 HB2 GLU 5 -20.876 64.112 -25.655 49 HB3 GLU 5 HB1 GLU 5 -20.611 65.837 -25.426 50 HG2 GLU 5 HG2 GLU 5 -21.929 66.317 -27.422 51 HG3 GLU 5 HG1 GLU 5 -22.176 64.592 -27.683 52 H LEU 6 HN LEU 6 -19.204 63.194 -25.277 53 HA LEU 6 HA LEU 6 -16.903 64.424 -24.029 54 HB2 LEU 6 HB2 LEU 6 -18.389 61.880 -23.349 55 HB3 LEU 6 HB1 LEU 6 -17.131 62.610 -22.368 56 HG LEU 6 HG LEU 6 -19.824 63.846 -22.988 57 HD11 LEU 6 HD11 LEU 6 -19.994 61.972 -21.438 58 HD12 LEU 6 HD12 LEU 6 -20.294 63.501 -20.614 59 HD13 LEU 6 HD13 LEU 6 -18.742 62.685 -20.419 60 HD21 LEU 6 HD21 LEU 6 -19.180 65.574 -21.366 61 HD22 LEU 6 HD22 LEU 6 -18.108 65.560 -22.765 62 HD23 LEU 6 HD23 LEU 6 -17.574 64.855 -21.239 63 H TYR 7 HN TYR 7 -15.198 64.210 -25.416 64 HA TYR 7 HA TYR 7 -14.386 61.881 -26.742 65 HB2 TYR 7 HB2 TYR 7 -12.755 64.220 -25.709 66 HB3 TYR 7 HB1 TYR 7 -12.110 62.964 -26.760 67 HD1 TYR 7 HD2 TYR 7 -14.732 65.613 -26.589 68 HD2 TYR 7 HD1 TYR 7 -12.346 63.132 -29.096 69 HE1 TYR 7 HE2 TYR 7 -15.517 66.855 -28.561 70 HE2 TYR 7 HE1 TYR 7 -13.126 64.369 -31.071 71 HH TYR 7 HH TYR 7 -14.938 67.305 -30.800 72 H GLU 8 HN GLU 8 -13.275 60.111 -26.117 73 HA GLU 8 HA GLU 8 -13.372 59.256 -23.477 74 HB2 GLU 8 HB2 GLU 8 -11.919 57.389 -24.216 75 HB3 GLU 8 HB1 GLU 8 -13.260 57.685 -25.315 76 HG2 GLU 8 HG2 GLU 8 -11.804 58.796 -26.881 77 HG3 GLU 8 HG1 GLU 8 -10.449 58.686 -25.756 78 H ILE 9 HN ILE 9 -11.917 59.147 -21.813 79 HA ILE 9 HA ILE 9 -9.633 60.935 -21.940 80 HB ILE 9 HB ILE 9 -9.363 60.416 -19.517 81 HG12 ILE 9 HG12 ILE 9 -11.898 58.791 -19.906 82 HG13 ILE 9 HG11 ILE 9 -10.312 58.141 -19.505 83 HG21 ILE 9 HG21 ILE 9 -10.687 62.327 -20.260 84 HG22 ILE 9 HG22 ILE 9 -11.363 61.631 -18.788 85 HG23 ILE 9 HG23 ILE 9 -12.127 61.311 -20.345 86 HD11 ILE 9 HD11 ILE 9 -11.973 59.966 -17.777 87 HD12 ILE 9 HD12 ILE 9 -10.369 59.354 -17.376 88 HD13 ILE 9 HD13 ILE 9 -11.721 58.236 -17.545 89 H ALA 10 HN ALA 10 -7.725 60.247 -22.624 90 HA ALA 10 HA ALA 10 -7.198 57.386 -22.784 91 HB1 ALA 10 HB1 ALA 10 -5.340 57.995 -24.241 92 HB2 ALA 10 HB2 ALA 10 -5.624 59.705 -23.908 93 HB3 ALA 10 HB3 ALA 10 -6.836 58.764 -24.777 94 H ASP 11 HN ASP 11 -6.842 56.984 -20.561 95 HA ASP 11 HA ASP 11 -4.077 57.283 -19.809 96 HB2 ASP 11 HB2 ASP 11 -5.027 59.375 -18.904 97 HB3 ASP 11 HB1 ASP 11 -6.238 58.449 -18.024 98 H GLY 12 HN GLY 12 -3.505 55.873 -18.048 99 HA2 GLY 12 HA2 GLY 12 -4.421 54.228 -16.386 100 HA3 GLY 12 HA1 GLY 12 -5.453 53.668 -17.698 101 H LYS 13 HN LYS 13 -2.015 54.514 -17.509 102 HA LYS 13 HA LYS 13 -1.382 51.971 -18.850 103 HB2 LYS 13 HB2 LYS 13 0.198 54.556 -18.727 104 HB3 LYS 13 HB1 LYS 13 0.703 53.096 -19.568 105 HG2 LYS 13 HG2 LYS 13 -1.121 53.281 -21.119 106 HG3 LYS 13 HG1 LYS 13 -1.815 54.626 -20.214 107 HD2 LYS 13 HD2 LYS 13 0.867 54.655 -21.614 108 HD3 LYS 13 HD1 LYS 13 -0.619 55.372 -22.240 109 HE2 LYS 13 HE2 LYS 13 -0.704 56.845 -20.250 110 HE3 LYS 13 HE1 LYS 13 0.830 56.165 -19.708 111 HZ1 LYS 13 HZ1 LYS 13 1.851 56.988 -21.748 112 HZ2 LYS 13 HZ2 LYS 13 1.176 58.248 -20.846 113 HZ3 LYS 13 HZ3 LYS 13 0.382 57.674 -22.224 114 H LEU 14 HN LEU 14 -0.969 50.532 -17.279 115 HA LEU 14 HA LEU 14 0.126 49.435 -15.632 116 HB2 LEU 14 HB2 LEU 14 2.306 51.477 -16.117 117 HB3 LEU 14 HB1 LEU 14 2.499 49.932 -15.306 118 HG LEU 14 HG LEU 14 1.849 50.356 -18.230 119 HD11 LEU 14 HD11 LEU 14 4.169 50.819 -17.677 120 HD12 LEU 14 HD12 LEU 14 4.033 49.336 -18.621 121 HD13 LEU 14 HD13 LEU 14 4.313 49.251 -16.881 122 HD21 LEU 14 HD21 LEU 14 2.165 47.781 -16.685 123 HD22 LEU 14 HD22 LEU 14 2.020 47.914 -18.437 124 HD23 LEU 14 HD23 LEU 14 0.675 48.394 -17.404 125 H VAL 15 HN VAL 15 -1.740 51.119 -14.719 126 HA VAL 15 HA VAL 15 -0.916 53.039 -12.824 127 HB VAL 15 HB VAL 15 -3.480 51.425 -12.940 128 HG11 VAL 15 HG11 VAL 15 -2.850 53.947 -11.395 129 HG12 VAL 15 HG12 VAL 15 -3.161 52.349 -10.714 130 HG13 VAL 15 HG13 VAL 15 -4.449 53.218 -11.550 131 HG21 VAL 15 HG21 VAL 15 -3.091 52.741 -14.960 132 HG22 VAL 15 HG22 VAL 15 -2.842 54.190 -13.987 133 HG23 VAL 15 HG23 VAL 15 -4.426 53.416 -14.025 134 H ARG 16 HN ARG 16 -0.197 52.856 -10.795 135 HA ARG 16 HA ARG 16 0.425 50.386 -9.560 136 HB2 ARG 16 HB2 ARG 16 1.702 52.353 -9.020 137 HB3 ARG 16 HB1 ARG 16 0.261 53.228 -8.529 138 HG2 ARG 16 HG2 ARG 16 1.454 52.637 -6.567 139 HG3 ARG 16 HG1 ARG 16 0.014 51.623 -6.636 140 HD2 ARG 16 HD2 ARG 16 1.354 49.759 -7.471 141 HD3 ARG 16 HD1 ARG 16 2.800 50.778 -7.452 142 HE ARG 16 HE ARG 16 1.513 50.708 -4.910 143 HH11 ARG 16 HH11 ARG 16 3.681 48.880 -6.969 144 HH12 ARG 16 HH12 ARG 16 4.424 48.049 -5.642 145 HH21 ARG 16 HH21 ARG 16 2.480 49.610 -3.181 146 HH22 ARG 16 HH22 ARG 16 3.741 48.449 -3.488 147 H LYS 17 HN LYS 17 -1.307 49.046 -9.234 148 HA LYS 17 HA LYS 17 -3.698 50.163 -7.922 149 HB2 LYS 17 HB2 LYS 17 -3.398 47.681 -9.632 150 HB3 LYS 17 HB1 LYS 17 -4.891 48.187 -8.852 151 HG2 LYS 17 HG2 LYS 17 -4.894 50.240 -10.190 152 HG3 LYS 17 HG1 LYS 17 -3.396 49.727 -10.972 153 HD2 LYS 17 HD2 LYS 17 -4.532 47.758 -11.883 154 HD3 LYS 17 HD1 LYS 17 -6.026 48.234 -11.070 155 HE2 LYS 17 HE2 LYS 17 -6.062 50.311 -12.396 156 HE3 LYS 17 HE1 LYS 17 -4.595 49.793 -13.228 157 HZ1 LYS 17 HZ1 LYS 17 -5.786 47.909 -14.111 158 HZ2 LYS 17 HZ2 LYS 17 -6.606 49.331 -14.511 159 HZ3 LYS 17 HZ3 LYS 17 -7.187 48.343 -13.266 160 H HIS 18 HN HIS 18 -3.928 49.698 -5.854 161 HA HIS 18 HA HIS 18 -3.257 46.980 -4.927 162 HB2 HIS 18 HB2 HIS 18 -2.905 49.632 -3.576 163 HB3 HIS 18 HB1 HIS 18 -3.366 48.258 -2.576 164 HD1 HIS 18 HD1 HIS 18 -1.193 47.880 -1.361 165 HD2 HIS 18 HD2 HIS 18 -0.709 48.046 -5.485 166 HE1 HIS 18 HE1 HIS 18 1.173 47.163 -1.789 167 HE2 HIS 18 HE2 HIS 18 1.376 47.084 -4.299 168 H ARG 19 HN ARG 19 -4.694 46.662 -2.750 169 HA ARG 19 HA ARG 19 -7.340 46.518 -3.884 170 HB2 ARG 19 HB2 ARG 19 -5.999 45.369 -1.462 171 HB3 ARG 19 HB1 ARG 19 -7.755 45.337 -1.574 172 HG2 ARG 19 HG2 ARG 19 -7.759 43.895 -3.376 173 HG3 ARG 19 HG1 ARG 19 -6.131 44.345 -3.879 174 HD2 ARG 19 HD2 ARG 19 -6.680 42.854 -1.320 175 HD3 ARG 19 HD1 ARG 19 -6.425 42.033 -2.861 176 HE ARG 19 HE ARG 19 -4.398 43.908 -1.843 177 HH11 ARG 19 HH11 ARG 19 -5.324 40.672 -2.809 178 HH12 ARG 19 HH12 ARG 19 -3.703 40.055 -2.762 179 HH21 ARG 19 HH21 ARG 19 -2.257 43.105 -1.807 180 HH22 ARG 19 HH22 ARG 19 -1.959 41.435 -2.171 181 H PHE 20 HN PHE 20 -9.158 47.509 -3.283 182 HA PHE 20 HA PHE 20 -8.969 49.687 -1.301 183 HB2 PHE 20 HB2 PHE 20 -10.855 49.334 -3.655 184 HB3 PHE 20 HB1 PHE 20 -10.920 50.670 -2.509 185 HD1 PHE 20 HD1 PHE 20 -9.024 49.167 -5.281 186 HD2 PHE 20 HD2 PHE 20 -9.327 52.472 -2.605 187 HE1 PHE 20 HE1 PHE 20 -7.425 50.431 -6.661 188 HE2 PHE 20 HE2 PHE 20 -7.730 53.736 -3.984 189 HZ PHE 20 HZ PHE 20 -6.777 52.716 -6.014 190 H CYS 21 HN CYS 21 -11.412 50.191 -0.525 191 HA CYS 21 HA CYS 21 -12.366 47.668 0.659 192 HB2 CYS 21 HB2 CYS 21 -11.699 49.482 2.196 193 HB3 CYS 21 HB1 CYS 21 -12.895 50.541 1.460 194 HA PRO 22 HA PRO 22 -15.878 47.551 -1.966 195 HB2 PRO 22 HB2 PRO 22 -17.814 46.601 -0.225 196 HB3 PRO 22 HB1 PRO 22 -16.618 45.598 -1.050 197 HG2 PRO 22 HG2 PRO 22 -16.583 46.676 1.742 198 HG3 PRO 22 HG1 PRO 22 -16.088 45.077 1.150 199 HD2 PRO 22 HD2 PRO 22 -14.280 46.970 1.746 200 HD3 PRO 22 HD1 PRO 22 -14.036 45.861 0.383 201 H ARG 23 HN ARG 23 -16.706 48.838 1.269 202 HA ARG 23 HA ARG 23 -18.838 50.445 0.111 203 HB2 ARG 23 HB2 ARG 23 -17.950 50.425 2.996 204 HB3 ARG 23 HB1 ARG 23 -19.504 50.933 2.352 205 HG2 ARG 23 HG2 ARG 23 -18.437 48.113 2.438 206 HG3 ARG 23 HG1 ARG 23 -19.691 48.796 3.473 207 HD2 ARG 23 HD2 ARG 23 -21.112 49.142 1.490 208 HD3 ARG 23 HD1 ARG 23 -19.859 48.412 0.480 209 HE ARG 23 HE ARG 23 -20.674 46.726 2.653 210 HH11 ARG 23 HH11 ARG 23 -21.470 47.703 -0.612 211 HH12 ARG 23 HH12 ARG 23 -22.341 46.246 -0.964 212 HH21 ARG 23 HH21 ARG 23 -21.816 44.817 2.189 213 HH22 ARG 23 HH22 ARG 23 -22.546 44.613 0.630 214 H CYS 24 HN CYS 24 -16.027 51.130 2.231 215 HA CYS 24 HA CYS 24 -16.267 53.950 1.889 216 HB2 CYS 24 HB2 CYS 24 -13.667 52.771 2.773 217 HB3 CYS 24 HB1 CYS 24 -14.525 54.177 3.386 218 H GLY 25 HN GLY 25 -15.322 51.771 -0.347 219 HA2 GLY 25 HA2 GLY 25 -12.857 52.071 -1.299 220 HA3 GLY 25 HA1 GLY 25 -14.236 52.003 -2.373 221 HA PRO 26 HA PRO 26 -13.597 56.109 -3.905 222 HB2 PRO 26 HB2 PRO 26 -16.136 57.066 -2.653 223 HB3 PRO 26 HB1 PRO 26 -15.609 57.152 -4.338 224 HG2 PRO 26 HG2 PRO 26 -17.460 55.390 -3.584 225 HG3 PRO 26 HG1 PRO 26 -16.225 54.954 -4.781 226 HD2 PRO 26 HD2 PRO 26 -16.396 54.225 -1.880 227 HD3 PRO 26 HD1 PRO 26 -15.854 53.248 -3.259 228 H GLY 27 HN GLY 27 -11.832 56.641 -2.583 229 HA2 GLY 27 HA2 GLY 27 -11.020 58.643 -1.522 230 HA3 GLY 27 HA1 GLY 27 -12.470 58.667 -0.532 231 H VAL 28 HN VAL 28 -12.133 55.651 -0.155 232 HA VAL 28 HA VAL 28 -9.948 55.786 1.834 233 HB VAL 28 HB VAL 28 -12.559 54.331 2.298 234 HG11 VAL 28 HG11 VAL 28 -10.279 55.035 4.158 235 HG12 VAL 28 HG12 VAL 28 -10.687 53.429 3.552 236 HG13 VAL 28 HG13 VAL 28 -11.791 54.265 4.646 237 HG21 VAL 28 HG21 VAL 28 -11.735 57.050 3.350 238 HG22 VAL 28 HG22 VAL 28 -13.162 56.145 3.859 239 HG23 VAL 28 HG23 VAL 28 -13.032 56.727 2.199 240 H PHE 29 HN PHE 29 -8.492 54.566 0.735 241 HA PHE 29 HA PHE 29 -9.146 52.109 -0.563 242 HB2 PHE 29 HB2 PHE 29 -6.702 51.815 -0.763 243 HB3 PHE 29 HB1 PHE 29 -7.208 53.419 -1.280 244 HD1 PHE 29 HD1 PHE 29 -6.723 55.390 0.132 245 HD2 PHE 29 HD2 PHE 29 -5.255 51.515 1.125 246 HE1 PHE 29 HE1 PHE 29 -5.087 56.405 1.663 247 HE2 PHE 29 HE2 PHE 29 -3.621 52.525 2.658 248 HZ PHE 29 HZ PHE 29 -3.532 54.973 2.931 249 H LEU 30 HN LEU 30 -7.786 50.093 0.115 250 HA LEU 30 HA LEU 30 -8.429 49.531 2.915 251 HB2 LEU 30 HB2 LEU 30 -9.242 48.012 1.132 252 HB3 LEU 30 HB1 LEU 30 -7.585 47.688 0.666 253 HG LEU 30 HG LEU 30 -7.181 46.654 2.885 254 HD11 LEU 30 HD11 LEU 30 -10.139 47.083 3.293 255 HD12 LEU 30 HD12 LEU 30 -8.837 47.865 4.189 256 HD13 LEU 30 HD13 LEU 30 -9.082 46.124 4.331 257 HD21 LEU 30 HD21 LEU 30 -7.802 45.263 0.978 258 HD22 LEU 30 HD22 LEU 30 -9.512 45.499 1.342 259 HD23 LEU 30 HD23 LEU 30 -8.482 44.617 2.471 260 H ALA 31 HN ALA 31 -6.842 49.732 4.377 261 HA ALA 31 HA ALA 31 -4.153 50.229 3.757 262 HB1 ALA 31 HB1 ALA 31 -5.169 50.906 5.883 263 HB2 ALA 31 HB2 ALA 31 -3.710 49.950 6.143 264 HB3 ALA 31 HB3 ALA 31 -5.298 49.214 6.362 265 H GLU 32 HN GLU 32 -3.433 48.686 2.352 266 HA GLU 32 HA GLU 32 -3.576 45.874 2.974 267 HB2 GLU 32 HB2 GLU 32 -3.807 46.797 0.663 268 HB3 GLU 32 HB1 GLU 32 -2.122 47.293 0.725 269 HG2 GLU 32 HG2 GLU 32 -1.441 44.959 0.959 270 HG3 GLU 32 HG1 GLU 32 -3.132 44.460 0.908 271 H HIS 33 HN HIS 33 -2.237 45.038 4.414 272 HA HIS 33 HA HIS 33 0.575 45.932 4.486 273 HB2 HIS 33 HB2 HIS 33 -1.176 44.892 6.730 274 HB3 HIS 33 HB1 HIS 33 0.562 45.122 6.870 275 HD1 HIS 33 HD1 HIS 33 1.430 47.543 7.065 276 HD2 HIS 33 HD2 HIS 33 -2.710 47.245 6.795 277 HE1 HIS 33 HE1 HIS 33 0.543 49.799 7.738 278 HE2 HIS 33 HE2 HIS 33 -1.953 49.634 7.449 279 H ALA 34 HN ALA 34 2.143 44.290 4.945 280 HA ALA 34 HA ALA 34 1.802 41.888 3.529 281 HB1 ALA 34 HB1 ALA 34 3.966 41.237 4.458 282 HB2 ALA 34 HB2 ALA 34 3.863 42.540 5.641 283 HB3 ALA 34 HB3 ALA 34 3.994 42.917 3.924 284 H ASP 35 HN ASP 35 1.173 42.744 6.827 285 HA ASP 35 HA ASP 35 0.938 40.038 7.796 286 HB2 ASP 35 HB2 ASP 35 0.272 42.738 8.982 287 HB3 ASP 35 HB1 ASP 35 -0.122 41.237 9.809 288 H ARG 36 HN ARG 36 -1.232 42.481 6.480 289 HA ARG 36 HA ARG 36 -3.494 40.801 6.314 290 HB2 ARG 36 HB2 ARG 36 -4.827 41.615 8.190 291 HB3 ARG 36 HB1 ARG 36 -3.326 40.922 8.800 292 HG2 ARG 36 HG2 ARG 36 -2.396 43.265 8.812 293 HG3 ARG 36 HG1 ARG 36 -4.039 43.833 8.524 294 HD2 ARG 36 HD2 ARG 36 -3.782 43.978 10.841 295 HD3 ARG 36 HD1 ARG 36 -4.665 42.470 10.607 296 HE ARG 36 HE ARG 36 -2.327 41.419 10.763 297 HH11 ARG 36 HH11 ARG 36 -3.334 44.287 12.500 298 HH12 ARG 36 HH12 ARG 36 -2.227 44.037 13.813 299 HH21 ARG 36 HH21 ARG 36 -0.864 41.084 12.494 300 HH22 ARG 36 HH22 ARG 36 -0.819 42.221 13.806 301 H TYR 37 HN TYR 37 -5.570 42.262 6.304 302 HA TYR 37 HA TYR 37 -4.969 44.819 4.963 303 HB2 TYR 37 HB2 TYR 37 -7.476 43.125 4.696 304 HB3 TYR 37 HB1 TYR 37 -7.049 44.545 3.746 305 HD1 TYR 37 HD1 TYR 37 -5.365 44.395 1.967 306 HD2 TYR 37 HD2 TYR 37 -6.453 40.969 4.250 307 HE1 TYR 37 HE1 TYR 37 -4.261 42.944 0.317 308 HE2 TYR 37 HE2 TYR 37 -5.356 39.515 2.606 309 HH TYR 37 HH TYR 37 -4.669 39.547 0.287 310 H SER 38 HN SER 38 -5.998 46.649 5.743 311 HA SER 38 HA SER 38 -7.885 46.336 7.974 312 HB2 SER 38 HB2 SER 38 -5.654 46.624 8.972 313 HB3 SER 38 HB1 SER 38 -5.405 48.086 8.017 314 HG SER 38 HG SER 38 -7.196 47.645 10.156 315 H CYS 39 HN CYS 39 -9.187 48.244 8.360 316 HA CYS 39 HA CYS 39 -8.985 50.408 6.413 317 HB2 CYS 39 HB2 CYS 39 -10.468 48.786 5.322 318 HB3 CYS 39 HB1 CYS 39 -11.502 48.760 6.731 319 H GLY 40 HN GLY 40 -9.108 52.240 7.597 320 HA2 GLY 40 HA2 GLY 40 -10.671 52.559 9.940 321 HA3 GLY 40 HA1 GLY 40 -10.159 53.856 8.861 322 H ARG 41 HN ARG 41 -12.578 54.257 9.821 323 HA ARG 41 HA ARG 41 -14.609 54.921 9.092 324 HB2 ARG 41 HB2 ARG 41 -13.625 53.722 6.525 325 HB3 ARG 41 HB1 ARG 41 -15.322 54.142 6.688 326 HG2 ARG 41 HG2 ARG 41 -12.999 56.040 7.016 327 HG3 ARG 41 HG1 ARG 41 -14.056 55.920 5.604 328 HD2 ARG 41 HD2 ARG 41 -15.983 56.375 7.203 329 HD3 ARG 41 HD1 ARG 41 -14.758 56.820 8.389 330 HE ARG 41 HE ARG 41 -14.037 58.540 6.717 331 HH11 ARG 41 HH11 ARG 41 -17.313 57.308 6.744 332 HH12 ARG 41 HH12 ARG 41 -17.999 58.751 6.066 333 HH21 ARG 41 HH21 ARG 41 -14.937 60.440 5.806 334 HH22 ARG 41 HH22 ARG 41 -16.648 60.528 5.531 335 H CYS 42 HN CYS 42 -13.887 51.501 8.179 336 HA CYS 42 HA CYS 42 -16.436 50.875 9.523 337 HB2 CYS 42 HB2 CYS 42 -16.922 49.118 7.945 338 HB3 CYS 42 HB1 CYS 42 -16.636 50.608 7.058 339 H GLY 43 HN GLY 43 -13.088 50.302 9.420 340 HA2 GLY 43 HA2 GLY 43 -11.804 49.089 10.902 341 HA3 GLY 43 HA1 GLY 43 -13.282 48.535 11.673 342 H TYR 44 HN TYR 44 -13.020 48.065 8.285 343 HA TYR 44 HA TYR 44 -13.320 45.282 8.457 344 HB2 TYR 44 HB2 TYR 44 -13.984 46.599 6.461 345 HB3 TYR 44 HB1 TYR 44 -12.285 46.870 6.084 346 HD1 TYR 44 HD1 TYR 44 -14.942 44.304 6.285 347 HD2 TYR 44 HD2 TYR 44 -10.959 45.155 5.033 348 HE1 TYR 44 HE1 TYR 44 -14.893 42.201 5.014 349 HE2 TYR 44 HE2 TYR 44 -10.909 43.056 3.759 350 HH TYR 44 HH TYR 44 -12.055 40.847 3.787 351 H THR 45 HN THR 45 -11.920 43.708 8.755 352 HA THR 45 HA THR 45 -9.046 44.196 8.366 353 HB THR 45 HB THR 45 -10.138 42.705 10.763 354 HG1 THR 45 HG1 THR 45 -10.706 45.069 10.610 355 HG21 THR 45 HG21 THR 45 -7.891 43.117 11.680 356 HG22 THR 45 HG22 THR 45 -7.435 43.955 10.196 357 HG23 THR 45 HG23 THR 45 -7.804 42.229 10.158 358 H GLU 46 HN GLU 46 -7.922 42.438 7.610 359 HA GLU 46 HA GLU 46 -9.152 39.805 7.529 360 HB2 GLU 46 HB2 GLU 46 -10.032 40.965 5.515 361 HB3 GLU 46 HB1 GLU 46 -8.383 41.268 4.986 362 HG2 GLU 46 HG2 GLU 46 -8.012 38.831 4.845 363 HG3 GLU 46 HG1 GLU 46 -9.695 38.571 5.301 364 H PHE 47 HN PHE 47 -7.497 38.730 8.482 365 HA PHE 47 HA PHE 47 -4.753 39.389 8.127 366 HB2 PHE 47 HB2 PHE 47 -6.087 36.902 9.216 367 HB3 PHE 47 HB1 PHE 47 -4.343 37.138 9.205 368 HD1 PHE 47 HD2 PHE 47 -3.478 39.293 10.328 369 HD2 PHE 47 HD1 PHE 47 -7.324 37.612 11.056 370 HE1 PHE 47 HE2 PHE 47 -3.602 40.502 12.472 371 HE2 PHE 47 HE1 PHE 47 -7.455 38.820 13.196 372 HZ PHE 47 HZ PHE 47 -5.591 40.267 13.907 373 H LYS 48 HN LYS 48 -3.237 38.617 6.741 374 HA LYS 48 HA LYS 48 -4.143 37.488 4.290 375 HB2 LYS 48 HB2 LYS 48 -1.387 38.001 5.393 376 HB3 LYS 48 HB1 LYS 48 -1.612 37.173 3.858 377 HG2 LYS 48 HG2 LYS 48 -3.056 39.220 3.214 378 HG3 LYS 48 HG1 LYS 48 -2.267 40.011 4.581 379 HD2 LYS 48 HD2 LYS 48 -0.093 39.666 3.604 380 HD3 LYS 48 HD1 LYS 48 -0.775 38.656 2.327 381 HE2 LYS 48 HE2 LYS 48 -2.083 40.663 1.566 382 HE3 LYS 48 HE1 LYS 48 -1.165 41.625 2.723 383 HZ1 LYS 48 HZ1 LYS 48 -0.058 40.093 0.432 384 HZ2 LYS 48 HZ2 LYS 48 0.875 40.921 1.572 385 HZ3 LYS 48 HZ3 LYS 48 -0.169 41.777 0.555 386 H LYS 49 HN LYS 49 -2.778 36.083 7.184 387 HA LYS 49 HA LYS 49 -2.759 33.429 5.915 388 HB2 LYS 49 HB2 LYS 49 -1.541 34.368 8.529 389 HB3 LYS 49 HB1 LYS 49 -1.473 32.717 7.924 390 HG2 LYS 49 HG2 LYS 49 -0.270 33.550 5.916 391 HG3 LYS 49 HG1 LYS 49 -0.246 35.157 6.644 392 HD2 LYS 49 HD2 LYS 49 1.874 34.042 7.036 393 HD3 LYS 49 HD1 LYS 49 1.013 34.245 8.563 394 HE2 LYS 49 HE2 LYS 49 0.284 31.925 8.491 395 HE3 LYS 49 HE1 LYS 49 1.057 31.711 6.919 396 HZ1 LYS 49 HZ1 LYS 49 2.473 32.371 9.446 397 HZ2 LYS 49 HZ2 LYS 49 3.200 32.114 7.944 398 HZ3 LYS 49 HZ3 LYS 49 2.415 30.841 8.732 399 H ALA 50 HN ALA 50 -5.193 34.857 6.697 400 HA ALA 50 HA ALA 50 -6.218 33.195 8.885 401 HB1 ALA 50 HB1 ALA 50 -8.230 34.587 8.750 402 HB2 ALA 50 HB2 ALA 50 -7.545 35.448 7.371 403 HB3 ALA 50 HB3 ALA 50 -6.779 35.566 8.953 404 H LYS 51 HN LYS 51 -5.580 32.470 5.914 405 HA LYS 51 HA LYS 51 -8.144 31.493 4.973 406 HB2 LYS 51 HB2 LYS 51 -5.315 31.223 3.929 407 HB3 LYS 51 HB1 LYS 51 -6.686 30.433 3.166 408 HG2 LYS 51 HG2 LYS 51 -6.639 33.406 3.608 409 HG3 LYS 51 HG1 LYS 51 -5.871 32.667 2.204 410 HD2 LYS 51 HD2 LYS 51 -7.849 32.621 1.163 411 HD3 LYS 51 HD1 LYS 51 -8.470 31.538 2.404 412 HE2 LYS 51 HE2 LYS 51 -8.508 34.558 2.529 413 HE3 LYS 51 HE1 LYS 51 -9.876 33.533 2.100 414 HZ1 LYS 51 HZ1 LYS 51 -10.036 34.172 4.383 415 HZ2 LYS 51 HZ2 LYS 51 -8.480 33.610 4.714 416 HZ3 LYS 51 HZ3 LYS 51 -9.710 32.513 4.317 417 H LYS 52 HN LYS 52 -5.185 29.591 4.971 418 HA LYS 52 HA LYS 52 -6.042 27.799 7.051 419 HB2 LYS 52 HB2 LYS 52 -6.089 26.937 4.153 420 HB3 LYS 52 HB1 LYS 52 -5.819 25.774 5.441 421 HG2 LYS 52 HG2 LYS 52 -8.260 27.520 5.134 422 HG3 LYS 52 HG1 LYS 52 -8.148 25.811 4.709 423 HD2 LYS 52 HD2 LYS 52 -7.737 25.221 7.028 424 HD3 LYS 52 HD1 LYS 52 -7.718 26.925 7.489 425 HE2 LYS 52 HE2 LYS 52 -9.849 25.872 8.052 426 HE3 LYS 52 HE1 LYS 52 -10.061 27.136 6.841 427 HZ1 LYS 52 HZ1 LYS 52 -9.840 24.252 6.180 428 HZ2 LYS 52 HZ2 LYS 52 -10.297 25.508 5.142 429 HZ3 LYS 52 HZ3 LYS 52 -11.314 25.045 6.412 430 H SER 53 HN SER 53 -3.991 28.928 7.637 431 HA SER 53 HA SER 53 -1.547 28.383 6.367 432 HB2 SER 53 HB2 SER 53 -2.031 28.903 9.316 433 HB3 SER 53 HB1 SER 53 -0.520 29.147 8.439 434 HG SER 53 HG SER 53 -2.300 30.940 8.809 435 H LYS 54 HN LYS 54 -0.929 26.363 5.915 436 HA LYS 54 HA LYS 54 -1.792 24.122 7.486 437 HB2 LYS 54 HB2 LYS 54 -1.577 24.028 5.013 438 HB3 LYS 54 HB1 LYS 54 0.164 24.215 5.171 439 HG2 LYS 54 HG2 LYS 54 -0.430 21.889 4.781 440 HG3 LYS 54 HG1 LYS 54 0.292 22.088 6.379 441 HD2 LYS 54 HD2 LYS 54 -1.972 22.100 7.376 442 HD3 LYS 54 HD1 LYS 54 -2.663 21.854 5.771 443 HE2 LYS 54 HE2 LYS 54 -0.750 19.959 7.140 444 HE3 LYS 54 HE1 LYS 54 -2.500 19.768 7.098 445 HZ1 LYS 54 HZ1 LYS 54 -2.438 19.503 4.749 446 HZ2 LYS 54 HZ2 LYS 54 -1.288 18.451 5.405 447 HZ3 LYS 54 HZ3 LYS 54 -0.797 19.891 4.676 448 H SER 55 HN SER 55 -0.830 23.456 9.270 449 HA SER 55 HA SER 55 1.811 24.293 10.004 450 HB2 SER 55 HB2 SER 55 1.326 22.683 11.982 451 HB3 SER 55 HB1 SER 55 0.334 24.131 11.821 452 HG SER 55 HG SER 55 -0.333 21.443 11.386 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 19.912 65.948 16.249 2 H2 MET 1 HT2 MET 1 20.542 66.464 14.764 3 H3 MET 1 HT3 MET 1 20.569 64.827 15.169 4 HA MET 1 HA MET 1 18.190 64.705 15.120 5 HB2 MET 1 HB2 MET 1 18.401 67.628 14.356 6 HB3 MET 1 HB1 MET 1 16.932 66.675 14.196 7 HG2 MET 1 HG2 MET 1 16.867 68.021 16.208 8 HG3 MET 1 HG1 MET 1 16.899 66.306 16.608 9 HE1 MET 1 HE1 MET 1 18.868 67.904 19.587 10 HE2 MET 1 HE2 MET 1 17.593 66.775 19.135 11 HE3 MET 1 HE3 MET 1 17.423 68.491 18.764 12 H GLN 2 HN GLN 2 18.159 63.311 13.484 13 HA GLN 2 HA GLN 2 18.802 64.288 10.771 14 HB2 GLN 2 HB2 GLN 2 19.408 61.550 11.927 15 HB3 GLN 2 HB1 GLN 2 19.600 61.987 10.234 16 HG2 GLN 2 HG2 GLN 2 21.257 63.697 10.898 17 HG3 GLN 2 HG1 GLN 2 21.109 63.153 12.568 18 HE21 GLN 2 HE21 GLN 2 21.031 61.020 9.787 19 HE22 GLN 2 HE22 GLN 2 22.536 60.237 10.104 20 H LYS 3 HN LYS 3 17.171 64.099 9.379 21 HA LYS 3 HA LYS 3 15.104 62.055 9.793 22 HB2 LYS 3 HB2 LYS 3 14.558 65.018 9.472 23 HB3 LYS 3 HB1 LYS 3 13.327 63.765 9.381 24 HG2 LYS 3 HG2 LYS 3 13.798 63.132 11.704 25 HG3 LYS 3 HG1 LYS 3 15.027 64.395 11.794 26 HD2 LYS 3 HD2 LYS 3 12.084 64.849 11.267 27 HD3 LYS 3 HD1 LYS 3 12.890 65.085 12.817 28 HE2 LYS 3 HE2 LYS 3 14.335 66.795 11.777 29 HE3 LYS 3 HE1 LYS 3 13.468 66.581 10.257 30 HZ1 LYS 3 HZ1 LYS 3 11.440 67.299 11.361 31 HZ2 LYS 3 HZ2 LYS 3 12.643 68.484 11.482 32 HZ3 LYS 3 HZ3 LYS 3 12.279 67.510 12.812 33 H ARG 4 HN ARG 4 17.337 62.994 7.795 34 HA ARG 4 HA ARG 4 15.767 63.306 5.361 35 HB2 ARG 4 HB2 ARG 4 18.711 63.441 5.973 36 HB3 ARG 4 HB1 ARG 4 18.153 63.278 4.316 37 HG2 ARG 4 HG2 ARG 4 18.545 65.581 4.723 38 HG3 ARG 4 HG1 ARG 4 16.802 65.347 4.633 39 HD2 ARG 4 HD2 ARG 4 16.728 65.319 7.116 40 HD3 ARG 4 HD1 ARG 4 18.458 65.676 7.137 41 HE ARG 4 HE ARG 4 16.904 67.549 5.601 42 HH11 ARG 4 HH11 ARG 4 18.215 66.797 8.752 43 HH12 ARG 4 HH12 ARG 4 17.977 68.395 9.375 44 HH21 ARG 4 HH21 ARG 4 16.620 69.664 6.401 45 HH22 ARG 4 HH22 ARG 4 17.093 70.037 8.029 46 H GLU 5 HN GLU 5 15.635 61.863 3.725 47 HA GLU 5 HA GLU 5 15.752 59.964 2.526 48 HB2 GLU 5 HB2 GLU 5 18.215 59.452 4.200 49 HB3 GLU 5 HB1 GLU 5 17.721 58.445 2.844 50 HG2 GLU 5 HG2 GLU 5 17.926 60.336 1.332 51 HG3 GLU 5 HG1 GLU 5 18.357 61.387 2.679 52 H LEU 6 HN LEU 6 14.286 60.108 5.118 53 HA LEU 6 HA LEU 6 14.246 57.392 6.085 54 HB2 LEU 6 HB2 LEU 6 12.292 59.657 6.533 55 HB3 LEU 6 HB1 LEU 6 12.268 58.120 7.379 56 HG LEU 6 HG LEU 6 14.441 60.218 7.552 57 HD11 LEU 6 HD11 LEU 6 12.405 60.838 8.735 58 HD12 LEU 6 HD12 LEU 6 13.702 60.464 9.868 59 HD13 LEU 6 HD13 LEU 6 12.411 59.294 9.589 60 HD21 LEU 6 HD21 LEU 6 14.220 57.543 8.947 61 HD22 LEU 6 HD22 LEU 6 15.430 58.782 9.284 62 HD23 LEU 6 HD23 LEU 6 15.401 57.985 7.712 63 H TYR 7 HN TYR 7 13.985 56.400 3.971 64 HA TYR 7 HA TYR 7 11.161 55.968 3.363 65 HB2 TYR 7 HB2 TYR 7 11.642 56.097 0.885 66 HB3 TYR 7 HB1 TYR 7 11.666 57.643 1.721 67 HD1 TYR 7 HD1 TYR 7 13.985 54.935 0.557 68 HD2 TYR 7 HD2 TYR 7 13.472 59.075 1.408 69 HE1 TYR 7 HE1 TYR 7 16.225 55.393 -0.346 70 HE2 TYR 7 HE2 TYR 7 15.709 59.541 0.507 71 HH TYR 7 HH TYR 7 17.867 58.261 0.189 72 H GLU 8 HN GLU 8 10.960 54.098 1.744 73 HA GLU 8 HA GLU 8 12.475 51.885 2.728 74 HB2 GLU 8 HB2 GLU 8 11.156 50.544 1.131 75 HB3 GLU 8 HB1 GLU 8 10.136 51.596 2.099 76 HG2 GLU 8 HG2 GLU 8 10.048 53.187 0.200 77 HG3 GLU 8 HG1 GLU 8 10.971 52.037 -0.764 78 H ILE 9 HN ILE 9 14.263 50.962 1.907 79 HA ILE 9 HA ILE 9 15.823 52.248 -0.054 80 HB ILE 9 HB ILE 9 16.058 49.410 0.990 81 HG12 ILE 9 HG12 ILE 9 17.451 51.967 1.853 82 HG13 ILE 9 HG11 ILE 9 16.203 51.123 2.763 83 HG21 ILE 9 HG21 ILE 9 18.089 51.102 -0.486 84 HG22 ILE 9 HG22 ILE 9 17.268 49.673 -1.117 85 HG23 ILE 9 HG23 ILE 9 18.397 49.518 0.227 86 HD11 ILE 9 HD11 ILE 9 17.698 49.195 2.997 87 HD12 ILE 9 HD12 ILE 9 18.392 50.665 3.679 88 HD13 ILE 9 HD13 ILE 9 18.950 50.072 2.116 89 H ALA 10 HN ALA 10 16.146 51.854 -2.202 90 HA ALA 10 HA ALA 10 14.087 50.914 -3.791 91 HB1 ALA 10 HB1 ALA 10 15.666 51.016 -5.650 92 HB2 ALA 10 HB2 ALA 10 17.014 51.091 -4.514 93 HB3 ALA 10 HB3 ALA 10 15.849 52.413 -4.589 94 H ASP 11 HN ASP 11 13.289 48.925 -3.655 95 HA ASP 11 HA ASP 11 15.099 46.643 -4.095 96 HB2 ASP 11 HB2 ASP 11 14.437 46.554 -1.763 97 HB3 ASP 11 HB1 ASP 11 12.745 46.792 -2.189 98 H GLY 12 HN GLY 12 14.556 45.439 -5.800 99 HA2 GLY 12 HA2 GLY 12 12.284 46.135 -7.407 100 HA3 GLY 12 HA1 GLY 12 13.452 44.861 -7.737 101 H LYS 13 HN LYS 13 10.409 45.659 -6.296 102 HA LYS 13 HA LYS 13 9.933 42.808 -5.686 103 HB2 LYS 13 HB2 LYS 13 9.772 44.764 -3.884 104 HB3 LYS 13 HB1 LYS 13 8.189 44.999 -4.607 105 HG2 LYS 13 HG2 LYS 13 7.591 43.559 -2.962 106 HG3 LYS 13 HG1 LYS 13 8.029 42.367 -4.186 107 HD2 LYS 13 HD2 LYS 13 9.864 43.374 -1.995 108 HD3 LYS 13 HD1 LYS 13 8.981 41.851 -1.953 109 HE2 LYS 13 HE2 LYS 13 10.261 40.951 -3.736 110 HE3 LYS 13 HE1 LYS 13 10.935 42.526 -4.148 111 HZ1 LYS 13 HZ1 LYS 13 12.536 41.163 -2.974 112 HZ2 LYS 13 HZ2 LYS 13 11.491 41.019 -1.653 113 HZ3 LYS 13 HZ3 LYS 13 12.136 42.529 -2.060 114 H LEU 14 HN LEU 14 8.003 41.864 -6.437 115 HA LEU 14 HA LEU 14 6.909 43.043 -8.826 116 HB2 LEU 14 HB2 LEU 14 7.335 40.504 -8.175 117 HB3 LEU 14 HB1 LEU 14 5.714 40.619 -7.522 118 HG LEU 14 HG LEU 14 6.493 41.115 -10.411 119 HD11 LEU 14 HD11 LEU 14 5.276 39.045 -10.872 120 HD12 LEU 14 HD12 LEU 14 5.009 38.812 -9.143 121 HD13 LEU 14 HD13 LEU 14 6.645 38.765 -9.796 122 HD21 LEU 14 HD21 LEU 14 3.760 41.077 -9.120 123 HD22 LEU 14 HD22 LEU 14 4.080 41.185 -10.853 124 HD23 LEU 14 HD23 LEU 14 4.582 42.490 -9.780 125 H VAL 15 HN VAL 15 5.281 44.452 -8.848 126 HA VAL 15 HA VAL 15 3.866 45.280 -6.574 127 HB VAL 15 HB VAL 15 2.355 46.478 -8.150 128 HG11 VAL 15 HG11 VAL 15 5.303 46.719 -8.772 129 HG12 VAL 15 HG12 VAL 15 4.449 47.508 -7.446 130 HG13 VAL 15 HG13 VAL 15 4.078 47.941 -9.116 131 HG21 VAL 15 HG21 VAL 15 2.807 46.373 -10.569 132 HG22 VAL 15 HG22 VAL 15 2.268 44.815 -9.942 133 HG23 VAL 15 HG23 VAL 15 3.976 45.082 -10.291 134 H ARG 16 HN ARG 16 1.750 44.957 -5.894 135 HA ARG 16 HA ARG 16 0.389 42.591 -7.009 136 HB2 ARG 16 HB2 ARG 16 0.763 43.193 -4.055 137 HB3 ARG 16 HB1 ARG 16 -0.115 41.822 -4.731 138 HG2 ARG 16 HG2 ARG 16 1.964 41.019 -5.773 139 HG3 ARG 16 HG1 ARG 16 2.836 42.369 -5.054 140 HD2 ARG 16 HD2 ARG 16 2.171 41.509 -2.806 141 HD3 ARG 16 HD1 ARG 16 1.469 40.100 -3.607 142 HE ARG 16 HE ARG 16 4.308 40.762 -4.010 143 HH11 ARG 16 HH11 ARG 16 1.876 38.540 -2.806 144 HH12 ARG 16 HH12 ARG 16 2.996 37.234 -2.595 145 HH21 ARG 16 HH21 ARG 16 5.782 39.051 -3.718 146 HH22 ARG 16 HH22 ARG 16 5.221 37.524 -3.109 147 H LYS 17 HN LYS 17 -1.927 42.475 -6.252 148 HA LYS 17 HA LYS 17 -3.084 44.928 -7.135 149 HB2 LYS 17 HB2 LYS 17 -4.449 42.399 -6.182 150 HB3 LYS 17 HB1 LYS 17 -5.224 43.726 -7.038 151 HG2 LYS 17 HG2 LYS 17 -3.061 41.921 -8.116 152 HG3 LYS 17 HG1 LYS 17 -4.771 41.899 -8.555 153 HD2 LYS 17 HD2 LYS 17 -4.572 44.151 -9.493 154 HD3 LYS 17 HD1 LYS 17 -2.875 44.214 -9.015 155 HE2 LYS 17 HE2 LYS 17 -2.404 42.304 -10.490 156 HE3 LYS 17 HE1 LYS 17 -4.096 42.280 -10.983 157 HZ1 LYS 17 HZ1 LYS 17 -3.812 44.521 -11.872 158 HZ2 LYS 17 HZ2 LYS 17 -2.744 43.434 -12.602 159 HZ3 LYS 17 HZ3 LYS 17 -2.183 44.509 -11.425 160 H HIS 18 HN HIS 18 -2.718 46.475 -5.593 161 HA HIS 18 HA HIS 18 -3.716 46.205 -2.898 162 HB2 HIS 18 HB2 HIS 18 -2.635 48.549 -4.481 163 HB3 HIS 18 HB1 HIS 18 -3.288 48.735 -2.858 164 HD1 HIS 18 HD1 HIS 18 -1.169 49.317 -1.656 165 HD2 HIS 18 HD2 HIS 18 -0.833 45.828 -3.880 166 HE1 HIS 18 HE1 HIS 18 1.048 48.327 -1.022 167 HE2 HIS 18 HE2 HIS 18 1.091 46.091 -2.181 168 H ARG 19 HN ARG 19 -5.895 45.577 -3.370 169 HA ARG 19 HA ARG 19 -7.637 47.327 -4.808 170 HB2 ARG 19 HB2 ARG 19 -8.189 44.993 -2.972 171 HB3 ARG 19 HB1 ARG 19 -9.470 45.931 -3.728 172 HG2 ARG 19 HG2 ARG 19 -8.308 45.370 -5.946 173 HG3 ARG 19 HG1 ARG 19 -7.440 44.142 -5.022 174 HD2 ARG 19 HD2 ARG 19 -9.566 43.146 -4.339 175 HD3 ARG 19 HD1 ARG 19 -10.446 44.385 -5.237 176 HE ARG 19 HE ARG 19 -8.818 42.222 -6.391 177 HH11 ARG 19 HH11 ARG 19 -11.187 44.780 -6.790 178 HH12 ARG 19 HH12 ARG 19 -11.583 44.324 -8.417 179 HH21 ARG 19 HH21 ARG 19 -9.339 41.632 -8.533 180 HH22 ARG 19 HH22 ARG 19 -10.542 42.531 -9.404 181 H PHE 20 HN PHE 20 -9.585 48.255 -3.819 182 HA PHE 20 HA PHE 20 -8.922 49.680 -1.352 183 HB2 PHE 20 HB2 PHE 20 -11.223 50.161 -3.274 184 HB3 PHE 20 HB1 PHE 20 -10.686 51.229 -1.980 185 HD1 PHE 20 HD2 PHE 20 -8.456 52.362 -2.178 186 HD2 PHE 20 HD1 PHE 20 -10.210 50.218 -5.411 187 HE1 PHE 20 HE2 PHE 20 -6.943 53.495 -3.747 188 HE2 PHE 20 HE1 PHE 20 -8.694 51.347 -6.983 189 HZ PHE 20 HZ PHE 20 -7.060 52.989 -6.151 190 H CYS 21 HN CYS 21 -11.121 50.172 -0.085 191 HA CYS 21 HA CYS 21 -12.051 47.582 0.822 192 HB2 CYS 21 HB2 CYS 21 -11.455 49.428 2.375 193 HB3 CYS 21 HB1 CYS 21 -12.798 50.365 1.743 194 HA PRO 22 HA PRO 22 -15.398 47.103 -1.948 195 HB2 PRO 22 HB2 PRO 22 -17.080 46.452 0.428 196 HB3 PRO 22 HB1 PRO 22 -16.847 45.549 -1.071 197 HG2 PRO 22 HG2 PRO 22 -15.658 44.879 1.262 198 HG3 PRO 22 HG1 PRO 22 -14.932 44.541 -0.318 199 HD2 PRO 22 HD2 PRO 22 -14.129 46.491 1.738 200 HD3 PRO 22 HD1 PRO 22 -13.192 45.835 0.385 201 H ARG 23 HN ARG 23 -16.746 48.407 1.118 202 HA ARG 23 HA ARG 23 -18.586 49.984 -0.460 203 HB2 ARG 23 HB2 ARG 23 -18.407 49.588 2.529 204 HB3 ARG 23 HB1 ARG 23 -19.645 50.547 1.722 205 HG2 ARG 23 HG2 ARG 23 -20.117 48.394 0.368 206 HG3 ARG 23 HG1 ARG 23 -19.217 47.581 1.648 207 HD2 ARG 23 HD2 ARG 23 -21.646 49.324 2.061 208 HD3 ARG 23 HD1 ARG 23 -21.660 47.563 2.022 209 HE ARG 23 HE ARG 23 -19.882 48.077 3.976 210 HH11 ARG 23 HH11 ARG 23 -23.060 49.416 3.369 211 HH12 ARG 23 HH12 ARG 23 -23.487 49.501 5.049 212 HH21 ARG 23 HH21 ARG 23 -20.451 48.220 6.210 213 HH22 ARG 23 HH22 ARG 23 -22.008 48.848 6.646 214 H CYS 24 HN CYS 24 -15.820 50.588 1.664 215 HA CYS 24 HA CYS 24 -16.269 53.460 1.622 216 HB2 CYS 24 HB2 CYS 24 -13.691 52.183 2.502 217 HB3 CYS 24 HB1 CYS 24 -14.398 53.701 3.026 218 H GLY 25 HN GLY 25 -15.221 51.403 -0.666 219 HA2 GLY 25 HA2 GLY 25 -12.732 51.974 -1.545 220 HA3 GLY 25 HA1 GLY 25 -14.067 51.657 -2.630 221 HA PRO 26 HA PRO 26 -14.025 55.873 -4.059 222 HB2 PRO 26 HB2 PRO 26 -16.479 56.960 -3.574 223 HB3 PRO 26 HB1 PRO 26 -16.188 55.750 -4.829 224 HG2 PRO 26 HG2 PRO 26 -17.301 55.380 -2.071 225 HG3 PRO 26 HG1 PRO 26 -17.842 54.666 -3.602 226 HD2 PRO 26 HD2 PRO 26 -16.313 53.304 -1.830 227 HD3 PRO 26 HD1 PRO 26 -16.187 53.052 -3.583 228 H GLY 27 HN GLY 27 -12.466 56.201 -2.180 229 HA2 GLY 27 HA2 GLY 27 -12.089 58.574 -1.345 230 HA3 GLY 27 HA1 GLY 27 -13.506 58.279 -0.350 231 H VAL 28 HN VAL 28 -12.591 55.413 0.046 232 HA VAL 28 HA VAL 28 -10.339 55.930 1.890 233 HB VAL 28 HB VAL 28 -12.712 54.162 2.548 234 HG11 VAL 28 HG11 VAL 28 -11.736 54.112 4.813 235 HG12 VAL 28 HG12 VAL 28 -10.357 55.044 4.229 236 HG13 VAL 28 HG13 VAL 28 -10.650 53.420 3.606 237 HG21 VAL 28 HG21 VAL 28 -13.329 55.875 4.205 238 HG22 VAL 28 HG22 VAL 28 -13.404 56.501 2.557 239 HG23 VAL 28 HG23 VAL 28 -12.042 56.917 3.597 240 H PHE 29 HN PHE 29 -8.693 54.751 1.271 241 HA PHE 29 HA PHE 29 -8.918 52.490 -0.454 242 HB2 PHE 29 HB2 PHE 29 -6.494 52.420 -0.365 243 HB3 PHE 29 HB1 PHE 29 -7.010 54.094 -0.515 244 HD1 PHE 29 HD2 PHE 29 -7.130 55.481 1.670 245 HD2 PHE 29 HD1 PHE 29 -5.018 51.796 1.330 246 HE1 PHE 29 HE2 PHE 29 -5.801 56.061 3.654 247 HE2 PHE 29 HE1 PHE 29 -3.687 52.375 3.315 248 HZ PHE 29 HZ PHE 29 -4.078 54.509 4.479 249 H LEU 30 HN LEU 30 -7.034 50.713 0.423 250 HA LEU 30 HA LEU 30 -7.957 49.769 3.055 251 HB2 LEU 30 HB2 LEU 30 -9.112 48.554 1.189 252 HB3 LEU 30 HB1 LEU 30 -7.543 48.008 0.626 253 HG LEU 30 HG LEU 30 -7.215 46.790 2.759 254 HD11 LEU 30 HD11 LEU 30 -8.588 48.193 4.205 255 HD12 LEU 30 HD12 LEU 30 -9.085 46.507 4.302 256 HD13 LEU 30 HD13 LEU 30 -10.045 47.654 3.367 257 HD21 LEU 30 HD21 LEU 30 -8.846 45.008 2.325 258 HD22 LEU 30 HD22 LEU 30 -8.151 45.626 0.827 259 HD23 LEU 30 HD23 LEU 30 -9.780 46.107 1.307 260 H ALA 31 HN ALA 31 -6.180 49.967 4.266 261 HA ALA 31 HA ALA 31 -3.564 50.172 3.264 262 HB1 ALA 31 HB1 ALA 31 -2.863 50.134 5.605 263 HB2 ALA 31 HB2 ALA 31 -4.461 49.561 6.083 264 HB3 ALA 31 HB3 ALA 31 -4.273 51.168 5.381 265 H GLU 32 HN GLU 32 -2.354 48.597 2.415 266 HA GLU 32 HA GLU 32 -2.855 45.824 3.127 267 HB2 GLU 32 HB2 GLU 32 -2.519 46.266 0.765 268 HB3 GLU 32 HB1 GLU 32 -0.973 47.046 1.091 269 HG2 GLU 32 HG2 GLU 32 -0.059 44.930 1.897 270 HG3 GLU 32 HG1 GLU 32 -1.603 44.139 1.604 271 H HIS 33 HN HIS 33 -1.809 44.827 4.659 272 HA HIS 33 HA HIS 33 1.046 45.427 5.109 273 HB2 HIS 33 HB2 HIS 33 -1.008 44.477 7.142 274 HB3 HIS 33 HB1 HIS 33 0.722 44.588 7.444 275 HD1 HIS 33 HD1 HIS 33 1.567 46.773 8.313 276 HD2 HIS 33 HD2 HIS 33 -2.245 47.094 6.678 277 HE1 HIS 33 HE1 HIS 33 0.811 49.120 8.810 278 HE2 HIS 33 HE2 HIS 33 -1.455 49.322 7.736 279 H ALA 34 HN ALA 34 2.357 43.538 5.467 280 HA ALA 34 HA ALA 34 1.721 41.329 3.855 281 HB1 ALA 34 HB1 ALA 34 3.754 41.484 6.091 282 HB2 ALA 34 HB2 ALA 34 4.028 41.951 4.413 283 HB3 ALA 34 HB3 ALA 34 3.709 40.264 4.816 284 H ASP 35 HN ASP 35 0.952 42.089 7.099 285 HA ASP 35 HA ASP 35 0.304 39.417 7.958 286 HB2 ASP 35 HB2 ASP 35 -0.483 42.060 9.225 287 HB3 ASP 35 HB1 ASP 35 -0.470 40.480 10.001 288 H ARG 36 HN ARG 36 -1.460 42.252 6.747 289 HA ARG 36 HA ARG 36 -3.868 40.864 6.210 290 HB2 ARG 36 HB2 ARG 36 -5.259 41.756 8.036 291 HB3 ARG 36 HB1 ARG 36 -3.981 40.717 8.659 292 HG2 ARG 36 HG2 ARG 36 -2.646 42.743 9.164 293 HG3 ARG 36 HG1 ARG 36 -4.019 43.730 8.667 294 HD2 ARG 36 HD2 ARG 36 -5.383 42.581 10.423 295 HD3 ARG 36 HD1 ARG 36 -3.905 41.794 10.981 296 HE ARG 36 HE ARG 36 -3.747 44.672 10.820 297 HH11 ARG 36 HH11 ARG 36 -4.467 41.927 12.880 298 HH12 ARG 36 HH12 ARG 36 -4.341 42.842 14.347 299 HH21 ARG 36 HH21 ARG 36 -3.545 45.859 12.749 300 HH22 ARG 36 HH22 ARG 36 -3.805 45.074 14.275 301 H TYR 37 HN TYR 37 -5.765 42.514 6.128 302 HA TYR 37 HA TYR 37 -4.847 45.059 4.978 303 HB2 TYR 37 HB2 TYR 37 -7.563 43.715 4.751 304 HB3 TYR 37 HB1 TYR 37 -7.052 45.174 3.910 305 HD1 TYR 37 HD1 TYR 37 -5.338 45.026 2.105 306 HD2 TYR 37 HD2 TYR 37 -7.000 41.550 3.923 307 HE1 TYR 37 HE1 TYR 37 -4.554 43.665 0.213 308 HE2 TYR 37 HE2 TYR 37 -6.221 40.182 2.036 309 HH TYR 37 HH TYR 37 -5.608 40.493 -0.342 310 H SER 38 HN SER 38 -5.780 47.007 5.717 311 HA SER 38 HA SER 38 -7.463 46.830 8.124 312 HB2 SER 38 HB2 SER 38 -5.084 47.138 8.800 313 HB3 SER 38 HB1 SER 38 -5.032 48.629 7.861 314 HG SER 38 HG SER 38 -7.028 48.281 9.805 315 H CYS 39 HN CYS 39 -9.027 48.379 8.297 316 HA CYS 39 HA CYS 39 -8.961 50.696 6.468 317 HB2 CYS 39 HB2 CYS 39 -10.408 49.023 5.427 318 HB3 CYS 39 HB1 CYS 39 -11.321 48.858 6.908 319 H GLY 40 HN GLY 40 -9.176 52.504 7.676 320 HA2 GLY 40 HA2 GLY 40 -10.606 52.611 10.143 321 HA3 GLY 40 HA1 GLY 40 -10.170 53.989 9.131 322 H ARG 41 HN ARG 41 -12.571 54.186 10.241 323 HA ARG 41 HA ARG 41 -14.620 54.902 9.640 324 HB2 ARG 41 HB2 ARG 41 -13.864 55.596 7.491 325 HB3 ARG 41 HB1 ARG 41 -13.806 53.943 6.897 326 HG2 ARG 41 HG2 ARG 41 -16.167 53.783 6.827 327 HG3 ARG 41 HG1 ARG 41 -16.367 55.270 7.755 328 HD2 ARG 41 HD2 ARG 41 -15.544 56.593 5.925 329 HD3 ARG 41 HD1 ARG 41 -15.110 55.147 5.014 330 HE ARG 41 HE ARG 41 -17.247 55.066 4.254 331 HH11 ARG 41 HH11 ARG 41 -17.277 56.887 7.260 332 HH12 ARG 41 HH12 ARG 41 -18.975 57.237 7.159 333 HH21 ARG 41 HH21 ARG 41 -19.463 55.552 4.137 334 HH22 ARG 41 HH22 ARG 41 -20.211 56.484 5.399 335 H CYS 42 HN CYS 42 -13.869 51.604 8.365 336 HA CYS 42 HA CYS 42 -16.384 50.824 9.700 337 HB2 CYS 42 HB2 CYS 42 -17.021 49.342 7.995 338 HB3 CYS 42 HB1 CYS 42 -16.503 50.791 7.143 339 H GLY 43 HN GLY 43 -13.060 50.399 9.583 340 HA2 GLY 43 HA2 GLY 43 -11.747 49.108 10.963 341 HA3 GLY 43 HA1 GLY 43 -13.219 48.490 11.700 342 H TYR 44 HN TYR 44 -12.885 48.233 8.293 343 HA TYR 44 HA TYR 44 -13.115 45.449 8.207 344 HB2 TYR 44 HB2 TYR 44 -13.647 46.957 6.299 345 HB3 TYR 44 HB1 TYR 44 -11.930 47.274 6.086 346 HD1 TYR 44 HD2 TYR 44 -14.613 44.801 5.663 347 HD2 TYR 44 HD1 TYR 44 -10.475 45.603 5.067 348 HE1 TYR 44 HE2 TYR 44 -14.462 42.879 4.139 349 HE2 TYR 44 HE1 TYR 44 -10.315 43.685 3.539 350 HH TYR 44 HH TYR 44 -11.489 41.591 3.069 351 H THR 45 HN THR 45 -11.702 44.199 9.201 352 HA THR 45 HA THR 45 -8.829 44.508 8.608 353 HB THR 45 HB THR 45 -9.911 43.410 11.218 354 HG1 THR 45 HG1 THR 45 -10.515 45.654 10.885 355 HG21 THR 45 HG21 THR 45 -7.598 42.804 10.650 356 HG22 THR 45 HG22 THR 45 -7.646 43.899 12.033 357 HG23 THR 45 HG23 THR 45 -7.199 44.510 10.439 358 H GLU 46 HN GLU 46 -8.369 42.867 7.264 359 HA GLU 46 HA GLU 46 -9.357 40.180 7.942 360 HB2 GLU 46 HB2 GLU 46 -10.816 41.013 6.170 361 HB3 GLU 46 HB1 GLU 46 -9.422 41.426 5.180 362 HG2 GLU 46 HG2 GLU 46 -8.857 39.122 4.880 363 HG3 GLU 46 HG1 GLU 46 -10.058 38.618 6.069 364 H PHE 47 HN PHE 47 -7.809 38.704 7.944 365 HA PHE 47 HA PHE 47 -5.112 39.416 7.685 366 HB2 PHE 47 HB2 PHE 47 -6.390 36.674 7.767 367 HB3 PHE 47 HB1 PHE 47 -4.666 36.982 7.958 368 HD1 PHE 47 HD1 PHE 47 -4.087 38.772 9.816 369 HD2 PHE 47 HD2 PHE 47 -7.669 36.470 9.682 370 HE1 PHE 47 HE1 PHE 47 -4.408 39.125 12.232 371 HE2 PHE 47 HE2 PHE 47 -7.989 36.823 12.095 372 HZ PHE 47 HZ PHE 47 -6.360 38.154 13.371 373 H LYS 48 HN LYS 48 -3.502 38.623 6.258 374 HA LYS 48 HA LYS 48 -4.208 38.593 3.488 375 HB2 LYS 48 HB2 LYS 48 -1.680 38.247 5.054 376 HB3 LYS 48 HB1 LYS 48 -1.686 37.752 3.368 377 HG2 LYS 48 HG2 LYS 48 -2.492 40.506 4.297 378 HG3 LYS 48 HG1 LYS 48 -0.854 40.073 3.798 379 HD2 LYS 48 HD2 LYS 48 -1.762 39.367 1.589 380 HD3 LYS 48 HD1 LYS 48 -3.354 39.935 2.096 381 HE2 LYS 48 HE2 LYS 48 -2.507 42.207 2.305 382 HE3 LYS 48 HE1 LYS 48 -0.877 41.660 1.909 383 HZ1 LYS 48 HZ1 LYS 48 -1.646 41.026 -0.282 384 HZ2 LYS 48 HZ2 LYS 48 -1.993 42.654 -0.006 385 HZ3 LYS 48 HZ3 LYS 48 -3.225 41.499 0.090 386 H LYS 49 HN LYS 49 -5.257 36.388 5.309 387 HA LYS 49 HA LYS 49 -4.125 33.933 4.430 388 HB2 LYS 49 HB2 LYS 49 -5.397 34.277 6.570 389 HB3 LYS 49 HB1 LYS 49 -6.864 34.456 5.623 390 HG2 LYS 49 HG2 LYS 49 -6.561 32.151 4.777 391 HG3 LYS 49 HG1 LYS 49 -5.139 31.987 5.808 392 HD2 LYS 49 HD2 LYS 49 -7.978 32.485 6.727 393 HD3 LYS 49 HD1 LYS 49 -7.073 30.980 6.887 394 HE2 LYS 49 HE2 LYS 49 -5.475 32.081 8.369 395 HE3 LYS 49 HE1 LYS 49 -6.334 33.610 8.182 396 HZ1 LYS 49 HZ1 LYS 49 -8.285 32.564 9.193 397 HZ2 LYS 49 HZ2 LYS 49 -6.954 32.551 10.234 398 HZ3 LYS 49 HZ3 LYS 49 -7.407 31.138 9.425 399 H ALA 50 HN ALA 50 -4.094 33.910 2.201 400 HA ALA 50 HA ALA 50 -6.273 34.651 0.551 401 HB1 ALA 50 HB1 ALA 50 -4.985 33.672 -1.278 402 HB2 ALA 50 HB2 ALA 50 -3.899 32.905 -0.116 403 HB3 ALA 50 HB3 ALA 50 -3.957 34.664 -0.244 404 H LYS 51 HN LYS 51 -8.153 33.610 0.947 405 HA LYS 51 HA LYS 51 -8.219 30.713 0.376 406 HB2 LYS 51 HB2 LYS 51 -10.067 32.162 2.290 407 HB3 LYS 51 HB1 LYS 51 -10.062 30.439 1.931 408 HG2 LYS 51 HG2 LYS 51 -7.604 30.538 2.806 409 HG3 LYS 51 HG1 LYS 51 -8.135 32.039 3.567 410 HD2 LYS 51 HD2 LYS 51 -8.418 30.266 5.155 411 HD3 LYS 51 HD1 LYS 51 -10.023 30.754 4.600 412 HE2 LYS 51 HE2 LYS 51 -9.925 28.345 4.668 413 HE3 LYS 51 HE1 LYS 51 -9.984 28.867 2.983 414 HZ1 LYS 51 HZ1 LYS 51 -7.514 28.088 4.440 415 HZ2 LYS 51 HZ2 LYS 51 -7.613 28.527 2.811 416 HZ3 LYS 51 HZ3 LYS 51 -8.354 27.108 3.347 417 H LYS 52 HN LYS 52 -9.943 33.796 0.314 418 HA LYS 52 HA LYS 52 -11.584 32.796 -1.925 419 HB2 LYS 52 HB2 LYS 52 -12.872 33.611 0.015 420 HB3 LYS 52 HB1 LYS 52 -12.054 35.164 -0.089 421 HG2 LYS 52 HG2 LYS 52 -13.047 35.527 -2.311 422 HG3 LYS 52 HG1 LYS 52 -13.892 33.983 -2.172 423 HD2 LYS 52 HD2 LYS 52 -15.085 34.824 -0.188 424 HD3 LYS 52 HD1 LYS 52 -14.243 36.369 -0.338 425 HE2 LYS 52 HE2 LYS 52 -16.117 35.164 -2.384 426 HE3 LYS 52 HE1 LYS 52 -16.508 36.475 -1.273 427 HZ1 LYS 52 HZ1 LYS 52 -15.943 37.294 -3.479 428 HZ2 LYS 52 HZ2 LYS 52 -14.414 36.583 -3.378 429 HZ3 LYS 52 HZ3 LYS 52 -14.830 37.841 -2.331 430 H SER 53 HN SER 53 -10.856 33.384 -3.847 431 HA SER 53 HA SER 53 -10.077 34.617 -5.581 432 HB2 SER 53 HB2 SER 53 -11.558 36.416 -4.767 433 HB3 SER 53 HB1 SER 53 -10.292 36.970 -3.674 434 HG SER 53 HG SER 53 -10.165 38.236 -5.472 435 H LYS 54 HN LYS 54 -8.152 36.108 -6.188 436 HA LYS 54 HA LYS 54 -5.784 35.140 -4.795 437 HB2 LYS 54 HB2 LYS 54 -5.960 36.971 -7.211 438 HB3 LYS 54 HB1 LYS 54 -4.538 36.103 -6.649 439 HG2 LYS 54 HG2 LYS 54 -5.582 33.978 -7.209 440 HG3 LYS 54 HG1 LYS 54 -7.049 34.817 -7.717 441 HD2 LYS 54 HD2 LYS 54 -4.311 35.098 -8.975 442 HD3 LYS 54 HD1 LYS 54 -5.672 34.200 -9.646 443 HE2 LYS 54 HE2 LYS 54 -6.967 36.289 -9.782 444 HE3 LYS 54 HE1 LYS 54 -5.589 37.180 -9.138 445 HZ1 LYS 54 HZ1 LYS 54 -4.306 36.524 -11.080 446 HZ2 LYS 54 HZ2 LYS 54 -5.711 37.344 -11.543 447 HZ3 LYS 54 HZ3 LYS 54 -5.626 35.661 -11.689 448 H SER 55 HN SER 55 -7.231 38.206 -5.759 449 HA SER 55 HA SER 55 -6.837 39.505 -3.311 450 HB2 SER 55 HB2 SER 55 -5.139 41.223 -4.111 451 HB3 SER 55 HB1 SER 55 -4.481 39.615 -3.807 452 HG SER 55 HG SER 55 -5.349 40.417 -6.379
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