NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16764 | 2aqc | 6845 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY -2 H GLY -3 4.256 -16.658 10.798 2 1HA GLY -2 2HA GLY -3 3.063 -16.330 12.921 3 2HA GLY -2 3HA GLY -3 2.799 -14.666 12.423 4 H SER -1 H SER -2 0.660 -16.111 13.222 5 HA SER -1 HA SER -2 -0.661 -17.500 11.129 6 1HB SER -1 2HB SER -2 -2.688 -17.233 12.564 7 2HB SER -1 3HB SER -2 -1.302 -17.891 13.433 8 HG SER -1 HG SER -2 -2.549 -15.412 13.673 9 H HIS 0 H HIS -1 -1.043 -14.208 12.428 10 HA HIS 0 HA HIS -1 -2.828 -13.490 10.257 11 1HB HIS 0 2HB HIS -1 -3.086 -11.377 11.390 12 2HB HIS 0 3HB HIS -1 -3.184 -12.665 12.588 13 HD1 HIS 0 1HD HIS -1 -0.979 -9.854 11.453 14 HD2 HIS 0 2HD HIS -1 -1.163 -12.669 14.503 15 HE1 HIS 0 1HE HIS -1 0.750 -9.139 13.133 16 H MET 1 H MET 1 -2.336 -12.251 8.521 17 HA MET 1 HA MET 1 0.416 -11.981 7.798 18 1HB MET 1 2HB MET 1 -0.379 -11.159 5.700 19 2HB MET 1 3HB MET 1 -1.452 -12.462 6.192 20 1HG MET 1 2HG MET 1 -3.077 -10.810 6.987 21 2HG MET 1 3HG MET 1 -2.006 -9.517 6.454 22 1HE MET 1 1HE MET 1 -3.601 -8.500 3.648 23 2HE MET 1 2HE MET 1 -2.281 -8.364 4.810 24 3HE MET 1 3HE MET 1 -1.977 -9.025 3.203 25 H VAL 2 H VAL 2 1.696 -10.198 7.747 26 HA VAL 2 HA VAL 2 0.765 -7.884 9.253 27 HB VAL 2 HB VAL 2 3.148 -7.163 9.161 28 1HG1 VAL 2 1HG1 VAL 2 2.441 -8.364 11.089 29 2HG1 VAL 2 2HG1 VAL 2 2.522 -9.906 10.235 30 3HG1 VAL 2 3HG1 VAL 2 4.003 -9.026 10.611 31 1HG2 VAL 2 1HG2 VAL 2 3.372 -8.762 7.001 32 2HG2 VAL 2 2HG2 VAL 2 4.744 -8.226 7.971 33 3HG2 VAL 2 3HG2 VAL 2 4.039 -9.818 8.247 34 H GLU 3 H GLU 3 0.815 -5.768 8.492 35 HA GLU 3 HA GLU 3 0.012 -5.319 5.875 36 1HB GLU 3 2HB GLU 3 1.116 -3.518 8.007 37 2HB GLU 3 3HB GLU 3 0.756 -2.886 6.407 38 1HG GLU 3 2HG GLU 3 -1.565 -3.681 6.650 39 2HG GLU 3 3HG GLU 3 -1.184 -4.208 8.288 40 H MET 4 H MET 4 1.016 -4.674 4.009 41 HA MET 4 HA MET 4 3.562 -5.590 3.438 42 1HB MET 4 2HB MET 4 1.524 -4.564 1.964 43 2HB MET 4 3HB MET 4 2.689 -3.249 1.867 44 1HG MET 4 2HG MET 4 3.742 -5.957 1.372 45 2HG MET 4 3HG MET 4 2.627 -5.317 0.167 46 1HE MET 4 1HE MET 4 6.722 -4.969 -0.550 47 2HE MET 4 2HE MET 4 5.799 -6.164 0.361 48 3HE MET 4 3HE MET 4 5.339 -5.771 -1.296 49 H ARG 5 H ARG 5 5.508 -4.399 2.853 50 HA ARG 5 HA ARG 5 6.392 -2.710 4.915 51 1HB ARG 5 2HB ARG 5 7.494 -3.874 2.487 52 2HB ARG 5 3HB ARG 5 8.118 -2.257 2.783 53 1HG ARG 5 2HG ARG 5 8.099 -4.347 4.930 54 2HG ARG 5 3HG ARG 5 9.407 -4.233 3.751 55 1HD ARG 5 2HD ARG 5 8.535 -1.821 5.293 56 2HD ARG 5 3HD ARG 5 9.627 -2.999 6.021 57 HE ARG 5 HE ARG 5 10.447 -2.064 3.421 58 1HH1 ARG 5 2HH1 ARG 5 10.586 -1.527 6.858 59 2HH1 ARG 5 1HH1 ARG 5 12.057 -0.615 6.788 60 1HH2 ARG 5 2HH2 ARG 5 12.384 -0.864 3.316 61 2HH2 ARG 5 1HH2 ARG 5 13.079 -0.237 4.772 62 H MET 6 H MET 6 7.693 -0.592 4.047 63 HA MET 6 HA MET 6 5.816 1.417 3.805 64 1HB MET 6 2HB MET 6 7.600 2.911 3.493 65 2HB MET 6 3HB MET 6 8.301 1.585 4.412 66 1HG MET 6 2HG MET 6 8.814 0.739 1.915 67 2HG MET 6 3HG MET 6 8.839 2.483 1.662 68 1HE MET 6 1HE MET 6 9.803 3.101 4.866 69 2HE MET 6 2HE MET 6 11.487 3.470 4.492 70 3HE MET 6 3HE MET 6 10.198 4.080 3.453 71 H LYS 7 H LYS 7 5.416 2.917 2.026 72 HA LYS 7 HA LYS 7 5.407 1.538 -0.578 73 1HB LYS 7 2HB LYS 7 3.418 3.184 -0.989 74 2HB LYS 7 3HB LYS 7 3.157 1.704 -0.075 75 1HG LYS 7 2HG LYS 7 3.924 4.079 1.495 76 2HG LYS 7 3HG LYS 7 2.329 4.118 0.739 77 1HD LYS 7 2HD LYS 7 3.334 1.854 2.460 78 2HD LYS 7 3HD LYS 7 2.346 3.190 3.057 79 1HE LYS 7 2HE LYS 7 0.733 2.512 1.140 80 2HE LYS 7 3HE LYS 7 1.616 0.986 1.166 81 1HZ LYS 7 1HZ LYS 7 0.770 0.423 3.173 82 2HZ LYS 7 2HZ LYS 7 -0.502 1.414 2.663 83 3HZ LYS 7 3HZ LYS 7 0.667 2.019 3.725 84 H LYS 8 H LYS 8 4.960 3.311 -2.384 85 HA LYS 8 HA LYS 8 6.674 5.644 -1.898 86 1HB LYS 8 2HB LYS 8 7.956 3.762 -2.998 87 2HB LYS 8 3HB LYS 8 6.887 3.943 -4.383 88 1HG LYS 8 2HG LYS 8 7.637 6.408 -4.360 89 2HG LYS 8 3HG LYS 8 8.959 5.832 -3.343 90 1HD LYS 8 2HD LYS 8 9.750 5.814 -5.585 91 2HD LYS 8 3HD LYS 8 9.456 4.134 -5.132 92 1HE LYS 8 2HE LYS 8 7.044 4.843 -6.167 93 2HE LYS 8 3HE LYS 8 8.139 5.812 -7.152 94 1HZ LYS 8 1HZ LYS 8 8.730 4.018 -8.283 95 2HZ LYS 8 2HZ LYS 8 7.544 3.134 -7.461 96 3HZ LYS 8 3HZ LYS 8 9.130 3.173 -6.872 97 H CYS 9 H CYS 9 6.188 7.467 -3.113 98 HA CYS 9 HA CYS 9 3.489 7.664 -4.013 99 1HB CYS 9 2HB CYS 9 4.690 9.526 -2.900 100 2HB CYS 9 3HB CYS 9 5.742 9.661 -4.303 101 HA PRO 10 HA PRO 10 4.368 6.298 -8.170 102 1HB PRO 10 2HB PRO 10 1.813 6.515 -9.062 103 2HB PRO 10 3HB PRO 10 2.371 5.168 -8.062 104 1HG PRO 10 2HG PRO 10 0.871 7.631 -7.258 105 2HG PRO 10 3HG PRO 10 0.619 5.952 -6.748 106 1HD PRO 10 2HD PRO 10 1.932 7.758 -5.216 107 2HD PRO 10 3HD PRO 10 2.335 6.030 -5.210 108 H LYS 11 H LYS 11 3.477 9.346 -7.064 109 HA LYS 11 HA LYS 11 3.298 10.515 -9.739 110 1HB LYS 11 2HB LYS 11 2.270 11.204 -7.138 111 2HB LYS 11 3HB LYS 11 3.200 12.547 -7.789 112 1HG LYS 11 2HG LYS 11 0.985 12.905 -8.479 113 2HG LYS 11 3HG LYS 11 1.835 12.298 -9.902 114 1HD LYS 11 2HD LYS 11 0.814 10.070 -8.461 115 2HD LYS 11 3HD LYS 11 -0.486 11.251 -8.641 116 1HE LYS 11 2HE LYS 11 -0.123 11.317 -11.041 117 2HE LYS 11 3HE LYS 11 1.238 10.207 -10.887 118 1HZ LYS 11 1HZ LYS 11 -0.988 9.041 -9.657 119 2HZ LYS 11 2HZ LYS 11 -0.168 8.523 -11.042 120 3HZ LYS 11 3HZ LYS 11 -1.475 9.588 -11.182 121 H CYS 12 H CYS 12 5.254 10.712 -6.790 122 HA CYS 12 HA CYS 12 7.289 12.196 -8.311 123 1HB CYS 12 2HB CYS 12 7.210 11.935 -5.311 124 2HB CYS 12 3HB CYS 12 8.067 13.127 -6.281 125 H GLY 13 H GLY 13 7.061 9.755 -5.713 126 1HA GLY 13 2HA GLY 13 8.144 7.574 -6.217 127 2HA GLY 13 3HA GLY 13 9.492 8.510 -6.846 128 H LEU 14 H LEU 14 7.838 9.576 -3.990 129 HA LEU 14 HA LEU 14 10.275 9.156 -2.452 130 1HB LEU 14 2HB LEU 14 9.526 11.300 -2.097 131 2HB LEU 14 3HB LEU 14 7.829 10.828 -2.147 132 HG LEU 14 HG LEU 14 8.078 9.824 0.099 133 1HD1 LEU 14 1HD1 LEU 14 10.018 9.885 1.328 134 2HD1 LEU 14 2HD1 LEU 14 10.697 11.220 0.397 135 3HD1 LEU 14 3HD1 LEU 14 10.650 9.598 -0.294 136 1HD2 LEU 14 1HD2 LEU 14 7.287 12.145 -0.225 137 2HD2 LEU 14 2HD2 LEU 14 8.945 12.711 -0.020 138 3HD2 LEU 14 3HD2 LEU 14 8.116 11.906 1.313 139 H TYR 15 H TYR 15 10.496 7.730 -0.828 140 HA TYR 15 HA TYR 15 8.364 5.802 -0.423 141 1HB TYR 15 2HB TYR 15 11.259 5.923 0.389 142 2HB TYR 15 3HB TYR 15 10.171 4.714 1.062 143 HD1 TYR 15 1HD TYR 15 11.607 5.984 -2.112 144 HD2 TYR 15 2HD TYR 15 9.623 2.770 -0.153 145 HE1 TYR 15 1HE TYR 15 11.987 4.558 -4.080 146 HE2 TYR 15 2HE TYR 15 9.999 1.335 -2.115 147 HH TYR 15 HH TYR 15 11.428 2.608 -5.077 148 H THR 16 H THR 16 7.411 5.315 1.553 149 HA THR 16 HA THR 16 8.069 6.517 4.012 150 HB THR 16 HB THR 16 7.287 8.586 2.971 151 HG1 THR 16 1HG THR 16 6.135 9.145 4.711 152 1HG2 THR 16 1HG2 THR 16 5.608 7.165 1.496 153 2HG2 THR 16 2HG2 THR 16 5.284 8.853 1.891 154 3HG2 THR 16 3HG2 THR 16 4.496 7.567 2.804 155 H LEU 17 H LEU 17 6.295 6.215 5.655 156 HA LEU 17 HA LEU 17 4.668 3.865 4.941 157 1HB LEU 17 2HB LEU 17 5.996 4.586 7.546 158 2HB LEU 17 3HB LEU 17 4.826 3.280 7.371 159 HG LEU 17 HG LEU 17 7.164 3.180 5.568 160 1HD1 LEU 17 1HD1 LEU 17 8.516 3.722 7.332 161 2HD1 LEU 17 2HD1 LEU 17 8.350 1.985 7.582 162 3HD1 LEU 17 3HD1 LEU 17 7.382 3.109 8.536 163 1HD2 LEU 17 1HD2 LEU 17 5.261 1.490 5.817 164 2HD2 LEU 17 2HD2 LEU 17 6.032 1.034 7.336 165 3HD2 LEU 17 3HD2 LEU 17 6.910 0.866 5.815 166 H LYS 18 H LYS 18 4.205 6.932 5.114 167 HA LYS 18 HA LYS 18 2.025 7.008 7.051 168 1HB LYS 18 2HB LYS 18 3.309 9.118 5.319 169 2HB LYS 18 3HB LYS 18 1.872 9.426 6.284 170 1HG LYS 18 2HG LYS 18 4.139 8.222 7.725 171 2HG LYS 18 3HG LYS 18 4.384 9.868 7.136 172 1HD LYS 18 2HD LYS 18 2.775 10.743 8.504 173 2HD LYS 18 3HD LYS 18 1.829 9.253 8.524 174 1HE LYS 18 2HE LYS 18 3.362 8.226 10.050 175 2HE LYS 18 3HE LYS 18 4.490 9.573 9.903 176 1HZ LYS 18 1HZ LYS 18 3.475 10.262 11.765 177 2HZ LYS 18 2HZ LYS 18 2.079 9.345 11.493 178 3HZ LYS 18 3HZ LYS 18 2.280 10.832 10.711 179 H GLU 19 H GLU 19 2.368 5.947 3.984 180 HA GLU 19 HA GLU 19 0.922 5.456 2.298 181 1HB GLU 19 2HB GLU 19 -1.218 6.298 4.260 182 2HB GLU 19 3HB GLU 19 -1.460 5.342 2.805 183 1HG GLU 19 2HG GLU 19 0.452 3.916 4.163 184 2HG GLU 19 3HG GLU 19 -0.582 4.528 5.453 185 H ILE 20 H ILE 20 1.718 8.380 3.138 186 HA ILE 20 HA ILE 20 0.238 9.614 0.943 187 HB ILE 20 HB ILE 20 0.460 10.900 3.667 188 1HG1 ILE 20 2HG1 ILE 20 -1.249 9.080 3.480 189 2HG1 ILE 20 3HG1 ILE 20 -1.933 10.665 3.821 190 1HG2 ILE 20 1HG2 ILE 20 0.588 12.670 2.183 191 2HG2 ILE 20 2HG2 ILE 20 -0.459 11.888 1.000 192 3HG2 ILE 20 3HG2 ILE 20 -1.146 12.553 2.481 193 1HD1 ILE 20 1HD1 ILE 20 -3.226 10.524 2.037 194 2HD1 ILE 20 2HD1 ILE 20 -1.825 10.266 0.997 195 3HD1 ILE 20 3HD1 ILE 20 -2.619 8.891 1.764 196 H CYS 21 H CYS 21 1.339 11.254 -0.111 197 HA CYS 21 HA CYS 21 4.199 11.334 0.419 198 1HB CYS 21 2HB CYS 21 3.479 10.940 -1.877 199 2HB CYS 21 3HB CYS 21 2.564 12.443 -1.872 200 HA PRO 22 HA PRO 22 3.539 15.180 2.633 201 1HB PRO 22 2HB PRO 22 6.107 15.401 3.488 202 2HB PRO 22 3HB PRO 22 4.927 14.331 4.255 203 1HG PRO 22 2HG PRO 22 7.067 13.677 2.266 204 2HG PRO 22 3HG PRO 22 6.589 12.792 3.726 205 1HD PRO 22 2HD PRO 22 5.793 12.050 1.246 206 2HD PRO 22 3HD PRO 22 4.786 11.802 2.687 207 H LYS 23 H LYS 23 5.331 14.508 -0.146 208 HA LYS 23 HA LYS 23 6.574 17.101 -0.410 209 1HB LYS 23 2HB LYS 23 6.984 14.595 -1.552 210 2HB LYS 23 3HB LYS 23 6.346 15.568 -2.872 211 1HG LYS 23 2HG LYS 23 8.747 15.669 -2.880 212 2HG LYS 23 3HG LYS 23 8.095 17.249 -2.442 213 1HD LYS 23 2HD LYS 23 8.571 15.533 -0.135 214 2HD LYS 23 3HD LYS 23 10.035 15.860 -1.065 215 1HE LYS 23 2HE LYS 23 8.918 18.328 -0.972 216 2HE LYS 23 3HE LYS 23 8.380 17.662 0.569 217 1HZ LYS 23 1HZ LYS 23 11.068 18.341 -0.324 218 2HZ LYS 23 2HZ LYS 23 10.923 16.956 0.635 219 3HZ LYS 23 3HZ LYS 23 10.380 18.448 1.218 220 H CYS 24 H CYS 24 4.120 15.355 -2.329 221 HA CYS 24 HA CYS 24 3.091 17.950 -3.237 222 1HB CYS 24 2HB CYS 24 1.986 16.694 -5.029 223 2HB CYS 24 3HB CYS 24 3.714 16.364 -5.002 224 H GLY 25 H GLY 25 2.157 14.956 -1.642 225 1HA GLY 25 2HA GLY 25 0.495 15.057 0.116 226 2HA GLY 25 3HA GLY 25 -0.346 16.283 -0.821 227 H GLU 26 H GLU 26 0.963 13.430 -2.335 228 HA GLU 26 HA GLU 26 -1.789 12.507 -2.821 229 1HB GLU 26 2HB GLU 26 -0.720 13.102 -4.879 230 2HB GLU 26 3HB GLU 26 0.729 12.202 -4.454 231 1HG GLU 26 2HG GLU 26 -0.784 11.134 -6.154 232 2HG GLU 26 3HG GLU 26 -0.335 10.130 -4.776 233 H LYS 27 H LYS 27 -2.377 10.447 -2.359 234 HA LYS 27 HA LYS 27 -1.120 9.009 -0.374 235 1HB LYS 27 2HB LYS 27 -2.834 7.785 -2.540 236 2HB LYS 27 3HB LYS 27 -2.599 7.183 -0.904 237 1HG LYS 27 2HG LYS 27 -3.550 9.673 -0.408 238 2HG LYS 27 3HG LYS 27 -4.389 9.275 -1.909 239 1HD LYS 27 2HD LYS 27 -4.304 7.223 0.245 240 2HD LYS 27 3HD LYS 27 -5.377 8.609 0.453 241 1HE LYS 27 2HE LYS 27 -5.351 6.854 -1.996 242 2HE LYS 27 3HE LYS 27 -6.431 6.608 -0.624 243 1HZ LYS 27 1HZ LYS 27 -6.789 8.311 -2.798 244 2HZ LYS 27 2HZ LYS 27 -6.578 9.293 -1.438 245 3HZ LYS 27 3HZ LYS 27 -7.796 8.120 -1.453 246 H THR 28 H THR 28 0.270 7.272 -0.286 247 HA THR 28 HA THR 28 1.982 6.935 -2.622 248 HB THR 28 HB THR 28 3.251 5.439 -0.844 249 HG1 THR 28 1HG THR 28 2.860 6.148 1.261 250 1HG2 THR 28 1HG2 THR 28 3.494 8.283 -0.126 251 2HG2 THR 28 2HG2 THR 28 3.609 7.935 -1.851 252 3HG2 THR 28 3HG2 THR 28 4.712 7.154 -0.718 253 H VAL 29 H VAL 29 2.539 4.896 -3.478 254 HA VAL 29 HA VAL 29 0.717 2.692 -2.774 255 HB VAL 29 HB VAL 29 0.426 2.099 -5.080 256 1HG1 VAL 29 1HG1 VAL 29 0.011 5.069 -5.059 257 2HG1 VAL 29 2HG1 VAL 29 -1.008 3.810 -5.760 258 3HG1 VAL 29 3HG1 VAL 29 -0.925 4.006 -4.008 259 1HG2 VAL 29 1HG2 VAL 29 2.213 2.522 -6.380 260 2HG2 VAL 29 2HG2 VAL 29 1.393 4.052 -6.694 261 3HG2 VAL 29 3HG2 VAL 29 2.661 3.966 -5.472 262 H ILE 30 H ILE 30 1.504 0.561 -3.313 263 HA ILE 30 HA ILE 30 4.194 0.161 -2.591 264 HB ILE 30 HB ILE 30 2.395 -1.822 -3.985 265 1HG1 ILE 30 2HG1 ILE 30 1.237 -0.951 -2.044 266 2HG1 ILE 30 3HG1 ILE 30 1.816 -2.574 -1.682 267 1HG2 ILE 30 1HG2 ILE 30 3.835 -3.357 -2.428 268 2HG2 ILE 30 2HG2 ILE 30 4.462 -2.821 -3.985 269 3HG2 ILE 30 3HG2 ILE 30 4.974 -2.013 -2.504 270 1HD1 ILE 30 1HD1 ILE 30 2.355 -0.100 -0.339 271 2HD1 ILE 30 2HD1 ILE 30 2.732 -1.751 0.152 272 3HD1 ILE 30 3HD1 ILE 30 3.858 -0.855 -0.868 273 HA PRO 31 HA PRO 31 5.934 1.003 -6.634 274 1HB PRO 31 2HB PRO 31 8.519 0.797 -5.830 275 2HB PRO 31 3HB PRO 31 7.534 2.235 -5.537 276 1HG PRO 31 2HG PRO 31 8.187 -0.023 -3.683 277 2HG PRO 31 3HG PRO 31 8.157 1.720 -3.357 278 1HD PRO 31 2HD PRO 31 6.131 0.070 -2.648 279 2HD PRO 31 3HD PRO 31 5.866 1.763 -3.115 280 H LYS 32 H LYS 32 6.528 -1.743 -4.557 281 HA LYS 32 HA LYS 32 7.453 -3.287 -6.890 282 1HB LYS 32 2HB LYS 32 9.109 -3.155 -5.079 283 2HB LYS 32 3HB LYS 32 7.934 -3.819 -3.951 284 1HG LYS 32 2HG LYS 32 7.879 -5.900 -5.229 285 2HG LYS 32 3HG LYS 32 9.059 -5.234 -6.361 286 1HD LYS 32 2HD LYS 32 10.279 -6.588 -4.850 287 2HD LYS 32 3HD LYS 32 10.594 -4.917 -4.377 288 1HE LYS 32 2HE LYS 32 10.129 -5.774 -2.324 289 2HE LYS 32 3HE LYS 32 8.486 -5.374 -2.823 290 1HZ LYS 32 1HZ LYS 32 7.930 -7.536 -3.054 291 2HZ LYS 32 2HZ LYS 32 9.162 -7.756 -1.916 292 3HZ LYS 32 3HZ LYS 32 9.473 -8.015 -3.558 293 HA PRO 33 HA PRO 33 3.230 -4.865 -5.811 294 1HB PRO 33 2HB PRO 33 2.407 -5.086 -8.388 295 2HB PRO 33 3HB PRO 33 2.267 -3.588 -7.460 296 1HG PRO 33 2HG PRO 33 4.338 -4.385 -9.469 297 2HG PRO 33 3HG PRO 33 3.512 -2.828 -9.271 298 1HD PRO 33 2HD PRO 33 6.022 -3.274 -8.355 299 2HD PRO 33 3HD PRO 33 4.889 -2.176 -7.541 300 HA PRO 34 HA PRO 34 4.040 -9.121 -6.560 301 1HB PRO 34 2HB PRO 34 1.572 -10.117 -7.099 302 2HB PRO 34 3HB PRO 34 2.066 -9.598 -5.483 303 1HG PRO 34 2HG PRO 34 0.444 -8.133 -7.530 304 2HG PRO 34 3HG PRO 34 0.185 -8.263 -5.780 305 1HD PRO 34 2HD PRO 34 1.311 -6.085 -6.929 306 2HD PRO 34 3HD PRO 34 1.751 -6.641 -5.301 307 H LYS 35 H LYS 35 4.977 -10.070 -8.247 308 HA LYS 35 HA LYS 35 3.982 -9.490 -10.943 309 1HB LYS 35 2HB LYS 35 6.607 -10.725 -10.088 310 2HB LYS 35 3HB LYS 35 6.165 -10.266 -11.727 311 1HG LYS 35 2HG LYS 35 6.446 -8.035 -11.330 312 2HG LYS 35 3HG LYS 35 6.080 -8.183 -9.609 313 1HD LYS 35 2HD LYS 35 8.431 -7.675 -9.921 314 2HD LYS 35 3HD LYS 35 8.247 -9.305 -9.269 315 1HE LYS 35 2HE LYS 35 8.496 -10.208 -11.555 316 2HE LYS 35 3HE LYS 35 8.768 -8.570 -12.148 317 1HZ LYS 35 1HZ LYS 35 10.505 -9.060 -9.997 318 2HZ LYS 35 2HZ LYS 35 10.893 -8.753 -11.614 319 3HZ LYS 35 3HZ LYS 35 10.641 -10.342 -11.092 320 H PHE 36 H PHE 36 4.635 -12.119 -8.719 321 HA PHE 36 HA PHE 36 3.537 -14.014 -10.689 322 1HB PHE 36 2HB PHE 36 4.620 -15.747 -9.114 323 2HB PHE 36 3HB PHE 36 5.680 -14.801 -10.154 324 HD1 PHE 36 1HD PHE 36 4.698 -15.544 -6.747 325 HD2 PHE 36 2HD PHE 36 7.031 -12.974 -9.211 326 HE1 PHE 36 1HE PHE 36 5.970 -14.810 -4.772 327 HE2 PHE 36 2HE PHE 36 8.307 -12.238 -7.241 328 HZ PHE 36 HZ PHE 36 7.778 -13.156 -5.018 329 H SER 37 H SER 37 1.445 -14.346 -10.337 330 HA SER 37 HA SER 37 0.495 -14.508 -7.553 331 1HB SER 37 2HB SER 37 -0.809 -13.543 -10.078 332 2HB SER 37 3HB SER 37 -1.802 -14.139 -8.747 333 HG SER 37 HG SER 37 -0.712 -12.587 -7.406 334 H LEU 38 H LEU 38 0.059 -16.484 -6.861 335 HA LEU 38 HA LEU 38 0.001 -18.751 -8.546 336 1HB LEU 38 2HB LEU 38 -1.091 -18.592 -5.747 337 2HB LEU 38 3HB LEU 38 -0.479 -20.016 -6.586 338 HG LEU 38 HG LEU 38 1.342 -17.710 -6.016 339 1HD1 LEU 38 1HD1 LEU 38 1.873 -18.532 -3.866 340 2HD1 LEU 38 2HD1 LEU 38 0.877 -19.970 -4.087 341 3HD1 LEU 38 3HD1 LEU 38 0.116 -18.388 -3.916 342 1HD2 LEU 38 1HD2 LEU 38 3.044 -19.253 -6.306 343 2HD2 LEU 38 2HD2 LEU 38 1.850 -19.775 -7.495 344 3HD2 LEU 38 3HD2 LEU 38 1.996 -20.629 -5.959 345 H GLU 39 H GLU 39 -2.540 -16.845 -6.998 346 HA GLU 39 HA GLU 39 -4.506 -18.263 -8.672 347 1HB GLU 39 2HB GLU 39 -6.160 -17.692 -6.808 348 2HB GLU 39 3HB GLU 39 -5.015 -18.989 -6.496 349 1HG GLU 39 2HG GLU 39 -4.353 -16.210 -5.647 350 2HG GLU 39 3HG GLU 39 -5.477 -17.174 -4.691 351 H ASP 40 H ASP 40 -3.548 -15.245 -7.140 352 HA ASP 40 HA ASP 40 -3.962 -13.069 -7.660 353 1HB ASP 40 2HB ASP 40 -3.456 -14.105 -10.009 354 2HB ASP 40 3HB ASP 40 -5.183 -13.885 -10.274 355 H ARG 41 H ARG 41 -5.979 -14.702 -6.336 356 HA ARG 41 HA ARG 41 -8.572 -14.284 -7.218 357 1HB ARG 41 2HB ARG 41 -7.402 -14.517 -4.455 358 2HB ARG 41 3HB ARG 41 -9.130 -14.307 -4.706 359 1HG ARG 41 2HG ARG 41 -7.743 -16.479 -6.186 360 2HG ARG 41 3HG ARG 41 -8.054 -16.692 -4.462 361 1HD ARG 41 2HD ARG 41 -10.458 -16.030 -4.982 362 2HD ARG 41 3HD ARG 41 -10.035 -16.254 -6.679 363 HE ARG 41 HE ARG 41 -9.286 -18.546 -5.245 364 1HH1 ARG 41 2HH1 ARG 41 -12.148 -16.856 -6.281 365 2HH1 ARG 41 1HH1 ARG 41 -13.123 -18.287 -6.357 366 1HH2 ARG 41 2HH2 ARG 41 -10.559 -20.436 -5.342 367 2HH2 ARG 41 1HH2 ARG 41 -12.218 -20.322 -5.822 368 H TRP 42 H TRP 42 -6.546 -12.183 -5.198 369 HA TRP 42 HA TRP 42 -8.579 -10.088 -5.324 370 1HB TRP 42 2HB TRP 42 -6.055 -10.423 -3.710 371 2HB TRP 42 3HB TRP 42 -6.927 -8.893 -3.771 372 HD1 TRP 42 1HD TRP 42 -8.270 -12.514 -3.314 373 HE1 TRP 42 1HE TRP 42 -9.737 -12.546 -1.199 374 HE3 TRP 42 3HE TRP 42 -7.643 -7.665 -1.818 375 HZ2 TRP 42 2HZ TRP 42 -10.524 -10.753 0.834 376 HZ3 TRP 42 3HZ TRP 42 -8.788 -6.903 0.222 377 HH2 TRP 42 2HH TRP 42 -10.199 -8.416 1.519 378 H GLY 43 H GLY 43 -6.745 -11.002 -7.578 379 1HA GLY 43 2HA GLY 43 -4.832 -9.025 -8.124 380 2HA GLY 43 3HA GLY 43 -5.629 -10.025 -9.329 381 H LYS 44 H LYS 44 -7.551 -9.273 -10.314 382 HA LYS 44 HA LYS 44 -7.579 -6.603 -11.035 383 1HB LYS 44 2HB LYS 44 -9.836 -8.612 -11.054 384 2HB LYS 44 3HB LYS 44 -9.910 -7.044 -11.849 385 1HG LYS 44 2HG LYS 44 -7.841 -7.764 -13.131 386 2HG LYS 44 3HG LYS 44 -8.157 -9.387 -12.513 387 1HD LYS 44 2HD LYS 44 -10.315 -9.428 -13.573 388 2HD LYS 44 3HD LYS 44 -10.155 -7.738 -14.058 389 1HE LYS 44 2HE LYS 44 -8.225 -8.350 -15.459 390 2HE LYS 44 3HE LYS 44 -8.446 -10.039 -15.003 391 1HZ LYS 44 1HZ LYS 44 -9.433 -9.429 -17.179 392 2HZ LYS 44 2HZ LYS 44 -10.518 -8.414 -16.371 393 3HZ LYS 44 3HZ LYS 44 -10.550 -10.081 -16.088 394 H TYR 45 H TYR 45 -9.033 -8.164 -8.287 395 HA TYR 45 HA TYR 45 -10.976 -6.333 -7.552 396 1HB TYR 45 2HB TYR 45 -10.323 -8.588 -6.468 397 2HB TYR 45 3HB TYR 45 -9.187 -7.639 -5.516 398 HD1 TYR 45 1HD TYR 45 -12.745 -8.278 -6.192 399 HD2 TYR 45 2HD TYR 45 -9.952 -6.181 -3.762 400 HE1 TYR 45 1HE TYR 45 -14.545 -7.727 -4.608 401 HE2 TYR 45 2HE TYR 45 -11.744 -5.626 -2.171 402 HH TYR 45 HH TYR 45 -15.017 -5.997 -2.887 403 H ARG 46 H ARG 46 -7.513 -6.092 -7.362 404 HA ARG 46 HA ARG 46 -7.157 -4.142 -5.438 405 1HB ARG 46 2HB ARG 46 -5.330 -5.324 -6.632 406 2HB ARG 46 3HB ARG 46 -5.670 -4.358 -8.061 407 1HG ARG 46 2HG ARG 46 -4.883 -2.399 -7.076 408 2HG ARG 46 3HG ARG 46 -4.990 -3.069 -5.446 409 1HD ARG 46 2HD ARG 46 -3.041 -4.260 -5.661 410 2HD ARG 46 3HD ARG 46 -3.187 -4.387 -7.413 411 HE ARG 46 HE ARG 46 -1.844 -2.341 -5.950 412 1HH1 ARG 46 2HH1 ARG 46 -3.638 -2.987 -8.863 413 2HH1 ARG 46 1HH1 ARG 46 -2.907 -1.695 -9.755 414 1HH2 ARG 46 2HH2 ARG 46 -0.874 -0.636 -7.115 415 2HH2 ARG 46 1HH2 ARG 46 -1.334 -0.359 -8.760 416 H ARG 47 H ARG 47 -8.360 -3.838 -8.708 417 HA ARG 47 HA ARG 47 -8.109 -1.062 -9.021 418 1HB ARG 47 2HB ARG 47 -9.770 -3.196 -10.260 419 2HB ARG 47 3HB ARG 47 -10.281 -1.531 -10.503 420 1HG ARG 47 2HG ARG 47 -7.489 -2.467 -11.091 421 2HG ARG 47 3HG ARG 47 -8.792 -2.526 -12.280 422 1HD ARG 47 2HD ARG 47 -7.902 -0.033 -10.835 423 2HD ARG 47 3HD ARG 47 -7.364 -0.498 -12.449 424 HE ARG 47 HE ARG 47 -9.850 0.713 -11.756 425 1HH1 ARG 47 2HH1 ARG 47 -8.330 -1.482 -13.990 426 2HH1 ARG 47 1HH1 ARG 47 -9.476 -1.193 -15.257 427 1HH2 ARG 47 2HH2 ARG 47 -11.366 1.102 -13.416 428 2HH2 ARG 47 1HH2 ARG 47 -11.202 0.277 -14.929 429 H MET 48 H MET 48 -10.496 -3.018 -7.369 430 HA MET 48 HA MET 48 -11.917 -0.556 -6.593 431 1HB MET 48 2HB MET 48 -13.074 -2.543 -7.908 432 2HB MET 48 3HB MET 48 -13.190 -3.239 -6.297 433 1HG MET 48 2HG MET 48 -14.684 -1.680 -5.574 434 2HG MET 48 3HG MET 48 -14.086 -0.437 -6.671 435 1HE MET 48 1HE MET 48 -14.553 -0.359 -9.194 436 2HE MET 48 2HE MET 48 -14.159 -2.044 -9.533 437 3HE MET 48 3HE MET 48 -15.706 -1.377 -10.057 438 H LEU 49 H LEU 49 -9.521 -1.844 -5.376 439 HA LEU 49 HA LEU 49 -10.502 -2.860 -2.838 440 1HB LEU 49 2HB LEU 49 -8.501 -3.806 -3.996 441 2HB LEU 49 3HB LEU 49 -7.665 -2.287 -3.678 442 HG LEU 49 HG LEU 49 -8.808 -3.742 -1.354 443 1HD1 LEU 49 1HD1 LEU 49 -6.504 -4.705 -3.008 444 2HD1 LEU 49 2HD1 LEU 49 -7.844 -5.624 -2.324 445 3HD1 LEU 49 3HD1 LEU 49 -6.573 -5.003 -1.271 446 1HD2 LEU 49 1HD2 LEU 49 -7.028 -1.590 -1.843 447 2HD2 LEU 49 2HD2 LEU 49 -6.118 -2.879 -1.055 448 3HD2 LEU 49 3HD2 LEU 49 -7.574 -2.235 -0.295 449 H LYS 50 H LYS 50 -9.250 0.082 -4.194 450 HA LYS 50 HA LYS 50 -8.361 1.419 -1.932 451 1HB LYS 50 2HB LYS 50 -8.938 3.503 -3.154 452 2HB LYS 50 3HB LYS 50 -8.043 2.351 -4.137 453 1HG LYS 50 2HG LYS 50 -10.452 1.604 -4.873 454 2HG LYS 50 3HG LYS 50 -10.873 3.236 -4.351 455 1HD LYS 50 2HD LYS 50 -8.517 2.847 -6.139 456 2HD LYS 50 3HD LYS 50 -10.139 2.762 -6.828 457 1HE LYS 50 2HE LYS 50 -9.675 4.999 -7.072 458 2HE LYS 50 3HE LYS 50 -10.490 4.995 -5.509 459 1HZ LYS 50 1HZ LYS 50 -8.320 6.285 -5.717 460 2HZ LYS 50 2HZ LYS 50 -7.550 4.779 -5.705 461 3HZ LYS 50 3HZ LYS 50 -8.488 5.259 -4.382 462 H ARG 51 H ARG 51 -9.323 2.108 -0.140 463 HA ARG 51 HA ARG 51 -12.156 2.817 -0.191 464 1HB ARG 51 2HB ARG 51 -10.932 0.629 1.450 465 2HB ARG 51 3HB ARG 51 -12.295 1.538 2.088 466 1HG ARG 51 2HG ARG 51 -12.357 0.178 -0.590 467 2HG ARG 51 3HG ARG 51 -12.843 -0.619 0.908 468 1HD ARG 51 2HD ARG 51 -14.015 2.014 0.072 469 2HD ARG 51 3HD ARG 51 -14.666 0.486 -0.520 470 HE ARG 51 HE ARG 51 -14.420 0.562 2.332 471 1HH1 ARG 51 2HH1 ARG 51 -16.426 1.463 -0.367 472 2HH1 ARG 51 1HH1 ARG 51 -17.889 1.490 0.561 473 1HH2 ARG 51 2HH2 ARG 51 -16.339 0.594 3.565 474 2HH2 ARG 51 1HH2 ARG 51 -17.838 0.996 2.798 475 H ALA 52 H ALA 52 -12.810 3.776 1.991 476 HA ALA 52 HA ALA 52 -10.619 5.509 2.912 477 1HB ALA 52 1HB ALA 52 -12.155 7.211 3.292 478 2HB ALA 52 2HB ALA 52 -12.750 6.455 1.813 479 3HB ALA 52 3HB ALA 52 -13.521 6.097 3.358 480 H LEU 53 H LEU 53 -9.741 4.658 4.700 481 HA LEU 53 HA LEU 53 -11.428 4.314 7.032 482 1HB LEU 53 2HB LEU 53 -11.572 2.099 6.334 483 2HB LEU 53 3HB LEU 53 -9.914 2.080 5.738 484 HG LEU 53 HG LEU 53 -9.064 1.991 8.003 485 1HD1 LEU 53 1HD1 LEU 53 -11.842 2.682 8.659 486 2HD1 LEU 53 2HD1 LEU 53 -10.345 3.046 9.516 487 3HD1 LEU 53 3HD1 LEU 53 -11.103 1.464 9.699 488 1HD2 LEU 53 1HD2 LEU 53 -10.323 -0.184 8.713 489 2HD2 LEU 53 2HD2 LEU 53 -9.351 -0.162 7.241 490 3HD2 LEU 53 3HD2 LEU 53 -11.105 -0.009 7.142 491 H LYS 54 H LYS 54 -10.459 5.429 8.578 492 HA LYS 54 HA LYS 54 -7.587 5.899 8.458 493 1HB LYS 54 2HB LYS 54 -9.445 7.661 8.950 494 2HB LYS 54 3HB LYS 54 -9.401 7.001 10.580 495 1HG LYS 54 2HG LYS 54 -7.906 8.697 10.809 496 2HG LYS 54 3HG LYS 54 -6.810 7.409 10.302 497 1HD LYS 54 2HD LYS 54 -8.099 9.149 8.243 498 2HD LYS 54 3HD LYS 54 -6.711 9.754 9.150 499 1HE LYS 54 2HE LYS 54 -5.717 7.391 8.478 500 2HE LYS 54 3HE LYS 54 -6.878 7.550 7.161 501 1HZ LYS 54 1HZ LYS 54 -4.601 8.430 6.695 502 2HZ LYS 54 2HZ LYS 54 -4.893 9.648 7.832 503 3HZ LYS 54 3HZ LYS 54 -5.853 9.541 6.443 504 H ASN 55 H ASN 55 -6.168 4.775 9.610 505 HA ASN 55 HA ASN 55 -7.118 3.357 12.013 506 1HB ASN 55 2HB ASN 55 -5.462 1.586 11.496 507 2HB ASN 55 3HB ASN 55 -6.690 1.745 10.243 508 1HD2 ASN 55 1HD2 ASN 55 -3.468 1.413 10.806 509 2HD2 ASN 55 2HD2 ASN 55 -2.852 1.999 9.302 510 H LYS 56 H LYS 56 -5.307 2.796 13.533 511 HA LYS 56 HA LYS 56 -3.398 5.036 13.658 512 1HB LYS 56 2HB LYS 56 -3.381 4.477 16.157 513 2HB LYS 56 3HB LYS 56 -4.820 5.258 15.515 514 1HG LYS 56 2HG LYS 56 -6.053 3.243 15.563 515 2HG LYS 56 3HG LYS 56 -4.602 2.281 15.855 516 1HD LYS 56 2HD LYS 56 -5.426 4.408 17.795 517 2HD LYS 56 3HD LYS 56 -6.193 2.818 17.834 518 1HE LYS 56 2HE LYS 56 -4.237 1.747 18.441 519 2HE LYS 56 3HE LYS 56 -3.213 3.024 17.786 520 1HZ LYS 56 1HZ LYS 56 -3.301 4.180 19.687 521 2HZ LYS 56 2HZ LYS 56 -3.744 2.706 20.387 522 3HZ LYS 56 3HZ LYS 56 -4.933 3.834 19.967 523 H ASN 57 H ASN 57 -1.303 4.571 13.542 524 HA ASN 57 HA ASN 57 -0.409 1.883 13.235 525 1HB ASN 57 2HB ASN 57 1.818 2.860 12.980 526 2HB ASN 57 3HB ASN 57 0.638 3.766 12.037 527 1HD2 ASN 57 1HD2 ASN 57 0.023 5.828 12.721 528 2HD2 ASN 57 2HD2 ASN 57 0.979 6.736 13.837 529 H LYS 58 H LYS 58 1.167 0.786 14.526 530 HA LYS 58 HA LYS 58 1.137 1.603 17.358 531 1HB LYS 58 2HB LYS 58 0.820 -1.105 16.098 532 2HB LYS 58 3HB LYS 58 1.422 -0.949 17.743 533 1HG LYS 58 2HG LYS 58 -0.602 0.125 18.446 534 2HG LYS 58 3HG LYS 58 -1.193 0.193 16.785 535 1HD LYS 58 2HD LYS 58 -0.536 -2.399 18.163 536 2HD LYS 58 3HD LYS 58 -2.133 -1.653 18.258 537 1HE LYS 58 2HE LYS 58 -2.148 -1.638 15.739 538 2HE LYS 58 3HE LYS 58 -0.692 -2.629 15.799 539 1HZ LYS 58 1HZ LYS 58 -2.024 -4.214 17.196 540 2HZ LYS 58 2HZ LYS 58 -2.496 -4.101 15.576 541 3HZ LYS 58 3HZ LYS 58 -3.401 -3.324 16.775 542 H ALA 59 H ALA 59 3.031 1.521 18.486 543 HA ALA 59 HA ALA 59 5.459 1.449 16.954 544 1HB ALA 59 1HB ALA 59 5.442 1.560 19.936 545 2HB ALA 59 2HB ALA 59 6.492 2.386 18.784 546 3HB ALA 59 3HB ALA 59 4.830 2.931 19.010 547 H GLU 60 H GLU 60 6.817 -0.203 16.687 548 HA GLU 60 HA GLU 60 6.159 -2.794 17.686 549 1HB GLU 60 2HB GLU 60 8.545 -1.766 16.147 550 2HB GLU 60 3HB GLU 60 8.317 -3.458 16.567 551 1HG GLU 60 2HG GLU 60 6.177 -1.995 15.092 552 2HG GLU 60 3HG GLU 60 7.599 -2.583 14.232 Start of MODEL 2 1 1H GLY -2 H GLY -3 26.238 9.558 9.391 2 1HA GLY -2 2HA GLY -3 23.410 10.280 9.159 3 2HA GLY -2 3HA GLY -3 24.477 10.751 7.844 4 H SER -1 H SER -2 22.610 8.252 9.207 5 HA SER -1 HA SER -2 23.412 6.472 7.018 6 1HB SER -1 2HB SER -2 23.712 4.602 8.378 7 2HB SER -1 3HB SER -2 24.431 5.886 9.352 8 HG SER -1 HG SER -2 22.699 5.873 10.673 9 H HIS 0 H HIS -1 21.716 5.812 5.884 10 HA HIS 0 HA HIS -1 19.062 5.890 7.161 11 1HB HIS 0 2HB HIS -1 19.602 6.191 4.206 12 2HB HIS 0 3HB HIS -1 18.095 6.504 5.063 13 HD1 HIS 0 1HD HIS -1 21.549 7.943 4.590 14 HD2 HIS 0 2HD HIS -1 17.837 9.042 6.099 15 HE1 HIS 0 1HE HIS -1 21.709 10.412 5.037 16 H MET 1 H MET 1 17.474 4.348 6.299 17 HA MET 1 HA MET 1 18.695 1.921 5.180 18 1HB MET 1 2HB MET 1 17.566 0.511 6.743 19 2HB MET 1 3HB MET 1 18.409 1.744 7.670 20 1HG MET 1 2HG MET 1 16.287 2.999 7.852 21 2HG MET 1 3HG MET 1 15.472 1.672 7.027 22 1HE MET 1 1HE MET 1 14.193 0.398 7.977 23 2HE MET 1 2HE MET 1 14.956 -0.963 8.802 24 3HE MET 1 3HE MET 1 13.937 0.159 9.706 25 H VAL 2 H VAL 2 17.262 0.552 4.019 26 HA VAL 2 HA VAL 2 14.776 1.893 3.170 27 HB VAL 2 HB VAL 2 15.038 0.854 0.980 28 1HG1 VAL 2 1HG1 VAL 2 17.623 2.221 1.689 29 2HG1 VAL 2 2HG1 VAL 2 16.768 2.242 0.146 30 3HG1 VAL 2 3HG1 VAL 2 16.090 3.078 1.543 31 1HG2 VAL 2 1HG2 VAL 2 17.620 -0.024 0.786 32 2HG2 VAL 2 2HG2 VAL 2 17.140 -0.626 2.373 33 3HG2 VAL 2 3HG2 VAL 2 16.202 -1.061 0.945 34 H GLU 3 H GLU 3 13.043 0.472 2.445 35 HA GLU 3 HA GLU 3 13.173 -2.290 3.371 36 1HB GLU 3 2HB GLU 3 11.536 -0.143 4.610 37 2HB GLU 3 3HB GLU 3 10.765 -1.708 4.390 38 1HG GLU 3 2HG GLU 3 13.435 -1.456 5.722 39 2HG GLU 3 3HG GLU 3 11.931 -1.235 6.613 40 H MET 4 H MET 4 10.880 -3.324 2.947 41 HA MET 4 HA MET 4 10.016 -2.421 0.278 42 1HB MET 4 2HB MET 4 9.860 -5.260 1.276 43 2HB MET 4 3HB MET 4 9.690 -4.681 -0.376 44 1HG MET 4 2HG MET 4 12.221 -4.632 1.252 45 2HG MET 4 3HG MET 4 11.827 -5.794 -0.013 46 1HE MET 4 1HE MET 4 14.155 -5.205 -1.336 47 2HE MET 4 2HE MET 4 14.681 -3.535 -1.547 48 3HE MET 4 3HE MET 4 14.486 -4.201 0.076 49 H ARG 5 H ARG 5 9.047 -3.534 3.435 50 HA ARG 5 HA ARG 5 6.331 -4.024 2.951 51 1HB ARG 5 2HB ARG 5 6.043 -3.576 5.394 52 2HB ARG 5 3HB ARG 5 7.316 -4.730 5.020 53 1HG ARG 5 2HG ARG 5 9.011 -3.206 5.535 54 2HG ARG 5 3HG ARG 5 7.913 -1.827 5.457 55 1HD ARG 5 2HD ARG 5 7.188 -2.122 7.569 56 2HD ARG 5 3HD ARG 5 7.191 -3.880 7.430 57 HE ARG 5 HE ARG 5 9.838 -2.868 7.524 58 1HH1 ARG 5 2HH1 ARG 5 7.059 -3.521 9.517 59 2HH1 ARG 5 1HH1 ARG 5 7.986 -3.751 10.962 60 1HH2 ARG 5 2HH2 ARG 5 11.070 -3.168 9.420 61 2HH2 ARG 5 1HH2 ARG 5 10.268 -3.549 10.906 62 H MET 6 H MET 6 8.107 -1.083 3.105 63 HA MET 6 HA MET 6 5.871 0.613 3.715 64 1HB MET 6 2HB MET 6 7.360 2.428 3.456 65 2HB MET 6 3HB MET 6 8.320 1.136 4.166 66 1HG MET 6 2HG MET 6 8.782 0.658 1.573 67 2HG MET 6 3HG MET 6 8.500 2.396 1.509 68 1HE MET 6 1HE MET 6 9.437 3.878 3.469 69 2HE MET 6 2HE MET 6 9.895 2.843 4.820 70 3HE MET 6 3HE MET 6 11.124 3.786 3.977 71 H LYS 7 H LYS 7 5.950 2.652 1.948 72 HA LYS 7 HA LYS 7 5.403 1.456 -0.680 73 1HB LYS 7 2HB LYS 7 3.441 3.063 -0.839 74 2HB LYS 7 3HB LYS 7 3.234 1.686 0.236 75 1HG LYS 7 2HG LYS 7 4.195 3.486 1.981 76 2HG LYS 7 3HG LYS 7 3.382 4.565 0.844 77 1HD LYS 7 2HD LYS 7 2.124 2.188 2.218 78 2HD LYS 7 3HD LYS 7 1.898 3.878 2.677 79 1HE LYS 7 2HE LYS 7 0.886 4.351 0.519 80 2HE LYS 7 3HE LYS 7 1.170 2.689 0.001 81 1HZ LYS 7 1HZ LYS 7 -0.898 2.361 0.744 82 2HZ LYS 7 2HZ LYS 7 -0.907 3.759 1.696 83 3HZ LYS 7 3HZ LYS 7 -0.200 2.340 2.285 84 H LYS 8 H LYS 8 4.898 3.410 -2.272 85 HA LYS 8 HA LYS 8 6.628 5.694 -1.728 86 1HB LYS 8 2HB LYS 8 8.048 3.930 -2.786 87 2HB LYS 8 3HB LYS 8 6.992 3.981 -4.191 88 1HG LYS 8 2HG LYS 8 7.558 6.422 -4.395 89 2HG LYS 8 3HG LYS 8 8.788 6.158 -3.156 90 1HD LYS 8 2HD LYS 8 9.924 5.960 -5.207 91 2HD LYS 8 3HD LYS 8 9.673 4.301 -4.658 92 1HE LYS 8 2HE LYS 8 7.452 4.577 -6.087 93 2HE LYS 8 3HE LYS 8 8.442 5.768 -6.929 94 1HZ LYS 8 1HZ LYS 8 8.616 2.892 -6.943 95 2HZ LYS 8 2HZ LYS 8 10.108 3.660 -6.729 96 3HZ LYS 8 3HZ LYS 8 9.162 4.015 -8.085 97 H CYS 9 H CYS 9 6.192 7.511 -3.010 98 HA CYS 9 HA CYS 9 3.506 7.687 -3.953 99 1HB CYS 9 2HB CYS 9 4.691 9.568 -2.848 100 2HB CYS 9 3HB CYS 9 5.757 9.688 -4.242 101 HA PRO 10 HA PRO 10 4.475 6.253 -8.072 102 1HB PRO 10 2HB PRO 10 1.926 6.397 -8.997 103 2HB PRO 10 3HB PRO 10 2.503 5.080 -7.969 104 1HG PRO 10 2HG PRO 10 0.937 7.521 -7.224 105 2HG PRO 10 3HG PRO 10 0.717 5.845 -6.688 106 1HD PRO 10 2HD PRO 10 1.969 7.706 -5.172 107 2HD PRO 10 3HD PRO 10 2.412 5.988 -5.132 108 H LYS 11 H LYS 11 3.482 9.298 -7.029 109 HA LYS 11 HA LYS 11 3.300 10.420 -9.721 110 1HB LYS 11 2HB LYS 11 2.311 11.161 -7.100 111 2HB LYS 11 3HB LYS 11 3.155 12.503 -7.860 112 1HG LYS 11 2HG LYS 11 0.779 12.568 -8.356 113 2HG LYS 11 3HG LYS 11 1.723 12.305 -9.823 114 1HD LYS 11 2HD LYS 11 1.069 10.080 -9.993 115 2HD LYS 11 3HD LYS 11 0.617 9.981 -8.289 116 1HE LYS 11 2HE LYS 11 -1.474 10.179 -9.108 117 2HE LYS 11 3HE LYS 11 -1.083 11.898 -9.130 118 1HZ LYS 11 1HZ LYS 11 -2.021 10.722 -11.241 119 2HZ LYS 11 2HZ LYS 11 -0.409 10.266 -11.472 120 3HZ LYS 11 3HZ LYS 11 -0.819 11.905 -11.385 121 H CYS 12 H CYS 12 5.239 10.739 -6.767 122 HA CYS 12 HA CYS 12 7.248 12.228 -8.315 123 1HB CYS 12 2HB CYS 12 7.175 11.985 -5.312 124 2HB CYS 12 3HB CYS 12 8.023 13.179 -6.288 125 H GLY 13 H GLY 13 7.080 9.799 -5.700 126 1HA GLY 13 2HA GLY 13 8.203 7.637 -6.193 127 2HA GLY 13 3HA GLY 13 9.529 8.594 -6.837 128 H LEU 14 H LEU 14 7.846 9.603 -3.966 129 HA LEU 14 HA LEU 14 10.309 9.292 -2.445 130 1HB LEU 14 2HB LEU 14 9.453 11.394 -2.074 131 2HB LEU 14 3HB LEU 14 7.782 10.835 -2.111 132 HG LEU 14 HG LEU 14 8.101 9.837 0.126 133 1HD1 LEU 14 1HD1 LEU 14 10.046 9.997 1.343 134 2HD1 LEU 14 2HD1 LEU 14 10.657 11.352 0.395 135 3HD1 LEU 14 3HD1 LEU 14 10.671 9.724 -0.283 136 1HD2 LEU 14 1HD2 LEU 14 7.939 11.869 1.333 137 2HD2 LEU 14 2HD2 LEU 14 7.254 12.177 -0.263 138 3HD2 LEU 14 3HD2 LEU 14 8.879 12.744 0.124 139 H TYR 15 H TYR 15 10.620 7.845 -0.860 140 HA TYR 15 HA TYR 15 8.608 5.803 -0.459 141 1HB TYR 15 2HB TYR 15 11.495 6.117 0.260 142 2HB TYR 15 3HB TYR 15 10.522 4.935 1.128 143 HD1 TYR 15 1HD TYR 15 9.739 2.929 0.042 144 HD2 TYR 15 2HD TYR 15 11.949 5.845 -2.131 145 HE1 TYR 15 1HE TYR 15 10.066 1.312 -1.783 146 HE2 TYR 15 2HE TYR 15 12.280 4.238 -3.963 147 HH TYR 15 HH TYR 15 11.090 0.905 -3.721 148 H THR 16 H THR 16 7.579 5.312 1.450 149 HA THR 16 HA THR 16 8.137 6.481 3.951 150 HB THR 16 HB THR 16 7.318 8.537 2.835 151 HG1 THR 16 1HG THR 16 6.170 9.116 4.592 152 1HG2 THR 16 1HG2 THR 16 4.534 7.507 2.832 153 2HG2 THR 16 2HG2 THR 16 5.581 7.013 1.501 154 3HG2 THR 16 3HG2 THR 16 5.291 8.726 1.808 155 H LEU 17 H LEU 17 6.099 6.280 5.439 156 HA LEU 17 HA LEU 17 4.592 3.875 4.654 157 1HB LEU 17 2HB LEU 17 5.810 4.485 7.342 158 2HB LEU 17 3HB LEU 17 4.727 3.135 7.011 159 HG LEU 17 HG LEU 17 7.073 3.204 5.269 160 1HD1 LEU 17 1HD1 LEU 17 7.414 3.563 8.136 161 2HD1 LEU 17 2HD1 LEU 17 8.591 3.689 6.828 162 3HD1 LEU 17 3HD1 LEU 17 8.208 2.113 7.520 163 1HD2 LEU 17 1HD2 LEU 17 7.089 0.864 5.719 164 2HD2 LEU 17 2HD2 LEU 17 5.407 1.351 5.511 165 3HD2 LEU 17 3HD2 LEU 17 6.050 1.068 7.129 166 H LYS 18 H LYS 18 4.249 7.000 5.139 167 HA LYS 18 HA LYS 18 2.030 7.008 6.996 168 1HB LYS 18 2HB LYS 18 3.258 9.154 5.262 169 2HB LYS 18 3HB LYS 18 1.868 9.433 6.302 170 1HG LYS 18 2HG LYS 18 3.658 8.283 8.021 171 2HG LYS 18 3HG LYS 18 4.700 9.237 6.965 172 1HD LYS 18 2HD LYS 18 4.111 10.689 8.718 173 2HD LYS 18 3HD LYS 18 3.077 11.159 7.367 174 1HE LYS 18 2HE LYS 18 1.188 10.161 8.318 175 2HE LYS 18 3HE LYS 18 2.150 9.184 9.426 176 1HZ LYS 18 1HZ LYS 18 1.444 12.032 9.606 177 2HZ LYS 18 2HZ LYS 18 2.854 11.477 10.355 178 3HZ LYS 18 3HZ LYS 18 1.354 10.830 10.793 179 H GLU 19 H GLU 19 2.331 5.987 3.913 180 HA GLU 19 HA GLU 19 0.859 5.512 2.244 181 1HB GLU 19 2HB GLU 19 -1.261 6.363 4.224 182 2HB GLU 19 3HB GLU 19 -1.511 5.395 2.777 183 1HG GLU 19 2HG GLU 19 0.390 3.956 4.104 184 2HG GLU 19 3HG GLU 19 -0.576 4.609 5.426 185 H ILE 20 H ILE 20 1.675 8.429 3.107 186 HA ILE 20 HA ILE 20 0.190 9.685 0.928 187 HB ILE 20 HB ILE 20 0.417 10.940 3.667 188 1HG1 ILE 20 2HG1 ILE 20 -1.303 9.137 3.457 189 2HG1 ILE 20 3HG1 ILE 20 -1.981 10.724 3.805 190 1HG2 ILE 20 1HG2 ILE 20 -1.212 12.591 2.453 191 2HG2 ILE 20 2HG2 ILE 20 0.532 12.754 2.265 192 3HG2 ILE 20 3HG2 ILE 20 -0.421 11.977 1.002 193 1HD1 ILE 20 1HD1 ILE 20 -2.647 8.966 1.718 194 2HD1 ILE 20 2HD1 ILE 20 -3.271 10.588 2.019 195 3HD1 ILE 20 3HD1 ILE 20 -1.862 10.362 0.981 196 H CYS 21 H CYS 21 1.299 11.317 -0.124 197 HA CYS 21 HA CYS 21 4.157 11.396 0.410 198 1HB CYS 21 2HB CYS 21 3.423 11.010 -1.890 199 2HB CYS 21 3HB CYS 21 2.531 12.527 -1.877 200 HA PRO 22 HA PRO 22 3.500 15.236 2.635 201 1HB PRO 22 2HB PRO 22 6.067 15.454 3.490 202 2HB PRO 22 3HB PRO 22 4.888 14.381 4.253 203 1HG PRO 22 2HG PRO 22 7.027 13.733 2.262 204 2HG PRO 22 3HG PRO 22 6.549 12.843 3.720 205 1HD PRO 22 2HD PRO 22 5.752 12.110 1.238 206 2HD PRO 22 3HD PRO 22 4.745 11.856 2.678 207 H LYS 23 H LYS 23 5.284 14.574 -0.149 208 HA LYS 23 HA LYS 23 6.520 17.173 -0.403 209 1HB LYS 23 2HB LYS 23 6.936 14.661 -1.553 210 2HB LYS 23 3HB LYS 23 6.337 15.660 -2.871 211 1HG LYS 23 2HG LYS 23 8.732 15.747 -2.838 212 2HG LYS 23 3HG LYS 23 8.092 17.322 -2.362 213 1HD LYS 23 2HD LYS 23 8.313 16.214 0.058 214 2HD LYS 23 3HD LYS 23 9.581 15.309 -0.774 215 1HE LYS 23 2HE LYS 23 10.171 17.781 -1.624 216 2HE LYS 23 3HE LYS 23 9.434 18.180 -0.074 217 1HZ LYS 23 1HZ LYS 23 11.408 16.033 -0.094 218 2HZ LYS 23 2HZ LYS 23 11.107 17.213 1.079 219 3HZ LYS 23 3HZ LYS 23 11.988 17.607 -0.312 220 H CYS 24 H CYS 24 4.109 15.406 -2.355 221 HA CYS 24 HA CYS 24 3.070 17.985 -3.286 222 1HB CYS 24 2HB CYS 24 1.970 16.708 -5.061 223 2HB CYS 24 3HB CYS 24 3.695 16.364 -5.022 224 H GLY 25 H GLY 25 2.133 15.024 -1.637 225 1HA GLY 25 2HA GLY 25 0.468 15.131 0.107 226 2HA GLY 25 3HA GLY 25 -0.358 16.371 -0.824 227 H GLU 26 H GLU 26 0.909 13.491 -2.329 228 HA GLU 26 HA GLU 26 -1.859 12.607 -2.808 229 1HB GLU 26 2HB GLU 26 -0.815 13.202 -4.874 230 2HB GLU 26 3HB GLU 26 0.640 12.301 -4.470 231 1HG GLU 26 2HG GLU 26 -0.883 11.235 -6.157 232 2HG GLU 26 3HG GLU 26 -0.433 10.229 -4.782 233 H LYS 27 H LYS 27 -2.459 10.548 -2.355 234 HA LYS 27 HA LYS 27 -1.201 9.085 -0.391 235 1HB LYS 27 2HB LYS 27 -3.490 8.641 -0.880 236 2HB LYS 27 3HB LYS 27 -3.124 8.216 -2.546 237 1HG LYS 27 2HG LYS 27 -2.354 6.131 -1.994 238 2HG LYS 27 3HG LYS 27 -1.904 6.611 -0.356 239 1HD LYS 27 2HD LYS 27 -3.781 5.294 -0.003 240 2HD LYS 27 3HD LYS 27 -4.452 6.926 -0.009 241 1HE LYS 27 2HE LYS 27 -5.160 6.664 -2.306 242 2HE LYS 27 3HE LYS 27 -4.387 5.082 -2.396 243 1HZ LYS 27 1HZ LYS 27 -5.945 4.188 -0.879 244 2HZ LYS 27 2HZ LYS 27 -6.843 5.052 -2.022 245 3HZ LYS 27 3HZ LYS 27 -6.570 5.712 -0.490 246 H THR 28 H THR 28 0.194 7.357 -0.319 247 HA THR 28 HA THR 28 1.883 7.018 -2.671 248 HB THR 28 HB THR 28 3.169 5.519 -0.916 249 HG1 THR 28 1HG THR 28 2.756 6.803 1.185 250 1HG2 THR 28 1HG2 THR 28 3.457 8.075 -1.869 251 2HG2 THR 28 2HG2 THR 28 4.626 7.227 -0.856 252 3HG2 THR 28 3HG2 THR 28 3.453 8.320 -0.122 253 H VAL 29 H VAL 29 2.602 4.865 -3.316 254 HA VAL 29 HA VAL 29 0.699 2.717 -2.692 255 HB VAL 29 HB VAL 29 0.462 2.086 -4.997 256 1HG1 VAL 29 1HG1 VAL 29 0.040 5.061 -4.958 257 2HG1 VAL 29 2HG1 VAL 29 -0.924 3.824 -5.769 258 3HG1 VAL 29 3HG1 VAL 29 -0.954 3.955 -4.010 259 1HG2 VAL 29 1HG2 VAL 29 2.305 2.496 -6.234 260 2HG2 VAL 29 2HG2 VAL 29 1.450 3.985 -6.636 261 3HG2 VAL 29 3HG2 VAL 29 2.681 3.990 -5.373 262 H ILE 30 H ILE 30 1.492 0.582 -3.106 263 HA ILE 30 HA ILE 30 4.186 0.210 -2.372 264 HB ILE 30 HB ILE 30 2.410 -1.856 -3.666 265 1HG1 ILE 30 2HG1 ILE 30 1.185 -0.845 -1.829 266 2HG1 ILE 30 3HG1 ILE 30 1.734 -2.447 -1.350 267 1HG2 ILE 30 1HG2 ILE 30 3.944 -3.021 -1.675 268 2HG2 ILE 30 2HG2 ILE 30 4.220 -3.127 -3.413 269 3HG2 ILE 30 3HG2 ILE 30 5.043 -1.889 -2.464 270 1HD1 ILE 30 1HD1 ILE 30 2.163 0.028 -0.057 271 2HD1 ILE 30 2HD1 ILE 30 2.708 -1.578 0.428 272 3HD1 ILE 30 3HD1 ILE 30 3.727 -0.576 -0.604 273 HA PRO 31 HA PRO 31 5.898 0.829 -6.469 274 1HB PRO 31 2HB PRO 31 8.488 0.663 -5.672 275 2HB PRO 31 3HB PRO 31 7.507 2.117 -5.452 276 1HG PRO 31 2HG PRO 31 8.170 -0.037 -3.481 277 2HG PRO 31 3HG PRO 31 8.145 1.721 -3.251 278 1HD PRO 31 2HD PRO 31 6.121 0.116 -2.438 279 2HD PRO 31 3HD PRO 31 5.855 1.781 -2.996 280 H LYS 32 H LYS 32 8.032 -0.354 -7.444 281 HA LYS 32 HA LYS 32 7.533 -3.240 -7.114 282 1HB LYS 32 2HB LYS 32 7.786 -1.528 -9.490 283 2HB LYS 32 3HB LYS 32 8.731 -3.010 -9.567 284 1HG LYS 32 2HG LYS 32 6.681 -4.295 -9.058 285 2HG LYS 32 3HG LYS 32 5.763 -2.788 -9.118 286 1HD LYS 32 2HD LYS 32 7.459 -3.761 -11.406 287 2HD LYS 32 3HD LYS 32 5.755 -4.187 -11.229 288 1HE LYS 32 2HE LYS 32 6.779 -1.354 -11.299 289 2HE LYS 32 3HE LYS 32 6.211 -2.225 -12.723 290 1HZ LYS 32 1HZ LYS 32 4.599 -1.645 -10.296 291 2HZ LYS 32 2HZ LYS 32 4.054 -2.477 -11.664 292 3HZ LYS 32 3HZ LYS 32 4.471 -0.842 -11.780 293 HA PRO 33 HA PRO 33 11.906 -2.452 -5.805 294 1HB PRO 33 2HB PRO 33 11.812 -4.140 -3.681 295 2HB PRO 33 3HB PRO 33 11.302 -2.451 -3.588 296 1HG PRO 33 2HG PRO 33 9.636 -4.918 -3.906 297 2HG PRO 33 3HG PRO 33 9.354 -3.503 -2.876 298 1HD PRO 33 2HD PRO 33 8.095 -3.853 -5.247 299 2HD PRO 33 3HD PRO 33 8.513 -2.247 -4.616 300 HA PRO 34 HA PRO 34 13.663 -6.076 -7.570 301 1HB PRO 34 2HB PRO 34 15.888 -6.461 -6.063 302 2HB PRO 34 3HB PRO 34 15.732 -5.137 -7.224 303 1HG PRO 34 2HG PRO 34 15.365 -5.104 -4.253 304 2HG PRO 34 3HG PRO 34 16.193 -3.929 -5.291 305 1HD PRO 34 2HD PRO 34 13.683 -3.532 -4.357 306 2HD PRO 34 3HD PRO 34 14.224 -2.917 -5.932 307 H LYS 35 H LYS 35 13.018 -8.123 -7.444 308 HA LYS 35 HA LYS 35 13.344 -9.633 -4.991 309 1HB LYS 35 2HB LYS 35 11.127 -8.637 -4.692 310 2HB LYS 35 3HB LYS 35 10.622 -9.264 -6.256 311 1HG LYS 35 2HG LYS 35 10.661 -11.492 -5.487 312 2HG LYS 35 3HG LYS 35 11.536 -11.048 -4.020 313 1HD LYS 35 2HD LYS 35 9.663 -10.152 -3.015 314 2HD LYS 35 3HD LYS 35 8.862 -9.831 -4.555 315 1HE LYS 35 2HE LYS 35 8.754 -12.371 -4.820 316 2HE LYS 35 3HE LYS 35 9.168 -12.447 -3.109 317 1HZ LYS 35 1HZ LYS 35 6.747 -11.292 -4.356 318 2HZ LYS 35 2HZ LYS 35 7.201 -10.909 -2.772 319 3HZ LYS 35 3HZ LYS 35 6.847 -12.511 -3.186 320 H PHE 36 H PHE 36 13.372 -11.869 -5.308 321 HA PHE 36 HA PHE 36 14.354 -12.801 -7.725 322 1HB PHE 36 2HB PHE 36 12.987 -14.324 -5.500 323 2HB PHE 36 3HB PHE 36 13.861 -15.085 -6.826 324 HD1 PHE 36 1HD PHE 36 16.316 -14.626 -7.078 325 HD2 PHE 36 2HD PHE 36 14.111 -13.502 -3.616 326 HE1 PHE 36 1HE PHE 36 18.415 -14.424 -5.811 327 HE2 PHE 36 2HE PHE 36 16.206 -13.298 -2.343 328 HZ PHE 36 HZ PHE 36 18.363 -13.759 -3.440 329 H SER 37 H SER 37 13.258 -12.561 -9.581 330 HA SER 37 HA SER 37 10.402 -13.033 -9.705 331 1HB SER 37 2HB SER 37 12.471 -11.976 -11.588 332 2HB SER 37 3HB SER 37 10.962 -12.597 -12.253 333 HG SER 37 HG SER 37 11.102 -10.652 -10.194 334 H LEU 38 H LEU 38 9.565 -14.377 -11.581 335 HA LEU 38 HA LEU 38 10.491 -17.047 -11.264 336 1HB LEU 38 2HB LEU 38 8.456 -15.766 -13.063 337 2HB LEU 38 3HB LEU 38 8.824 -17.488 -13.142 338 HG LEU 38 HG LEU 38 7.697 -16.015 -10.762 339 1HD1 LEU 38 1HD1 LEU 38 5.967 -18.029 -11.536 340 2HD1 LEU 38 2HD1 LEU 38 6.494 -17.311 -13.058 341 3HD1 LEU 38 3HD1 LEU 38 5.758 -16.300 -11.814 342 1HD2 LEU 38 1HD2 LEU 38 7.351 -18.487 -10.038 343 2HD2 LEU 38 2HD2 LEU 38 8.919 -17.717 -9.790 344 3HD2 LEU 38 3HD2 LEU 38 8.677 -18.811 -11.153 345 H GLU 39 H GLU 39 10.986 -14.558 -13.669 346 HA GLU 39 HA GLU 39 13.159 -16.068 -14.820 347 1HB GLU 39 2HB GLU 39 12.222 -15.723 -17.169 348 2HB GLU 39 3HB GLU 39 11.510 -17.011 -16.207 349 1HG GLU 39 2HG GLU 39 10.258 -14.308 -16.181 350 2HG GLU 39 3HG GLU 39 10.004 -15.372 -17.564 351 H ASP 40 H ASP 40 14.756 -14.662 -15.034 352 HA ASP 40 HA ASP 40 14.106 -11.828 -15.456 353 1HB ASP 40 2HB ASP 40 16.586 -11.560 -14.767 354 2HB ASP 40 3HB ASP 40 15.413 -11.980 -13.522 355 H ARG 41 H ARG 41 15.029 -10.646 -17.102 356 HA ARG 41 HA ARG 41 15.626 -12.012 -19.493 357 1HB ARG 41 2HB ARG 41 14.733 -9.590 -19.086 358 2HB ARG 41 3HB ARG 41 16.439 -9.163 -19.040 359 1HG ARG 41 2HG ARG 41 15.873 -8.792 -21.247 360 2HG ARG 41 3HG ARG 41 16.575 -10.411 -21.296 361 1HD ARG 41 2HD ARG 41 14.594 -10.483 -22.599 362 2HD ARG 41 3HD ARG 41 14.239 -11.314 -21.085 363 HE ARG 41 HE ARG 41 13.479 -8.679 -20.730 364 1HH1 ARG 41 2HH1 ARG 41 12.624 -11.333 -22.815 365 2HH1 ARG 41 1HH1 ARG 41 10.984 -10.816 -23.019 366 1HH2 ARG 41 2HH2 ARG 41 11.321 -7.988 -20.992 367 2HH2 ARG 41 1HH2 ARG 41 10.244 -8.912 -21.982 368 H TRP 42 H TRP 42 17.767 -9.822 -17.661 369 HA TRP 42 HA TRP 42 20.072 -11.231 -18.792 370 1HB TRP 42 2HB TRP 42 19.719 -8.530 -17.515 371 2HB TRP 42 3HB TRP 42 21.318 -9.245 -17.700 372 HD1 TRP 42 1HD TRP 42 18.294 -8.312 -19.952 373 HE1 TRP 42 1HE TRP 42 19.213 -7.576 -22.240 374 HE3 TRP 42 3HE TRP 42 23.269 -9.171 -19.144 375 HZ2 TRP 42 2HZ TRP 42 21.716 -7.385 -23.532 376 HZ3 TRP 42 3HZ TRP 42 24.859 -8.686 -20.958 377 HH2 TRP 42 2HH TRP 42 24.096 -7.812 -23.106 378 H GLY 43 H GLY 43 18.357 -10.740 -15.834 379 1HA GLY 43 2HA GLY 43 18.598 -11.741 -13.778 380 2HA GLY 43 3HA GLY 43 19.799 -12.795 -14.508 381 H LYS 44 H LYS 44 21.993 -12.146 -14.527 382 HA LYS 44 HA LYS 44 22.949 -11.023 -12.194 383 1HB LYS 44 2HB LYS 44 24.246 -11.248 -14.909 384 2HB LYS 44 3HB LYS 44 25.112 -10.723 -13.472 385 1HG LYS 44 2HG LYS 44 23.633 -13.316 -13.450 386 2HG LYS 44 3HG LYS 44 25.221 -13.205 -14.214 387 1HD LYS 44 2HD LYS 44 24.848 -12.112 -11.463 388 2HD LYS 44 3HD LYS 44 24.997 -13.857 -11.684 389 1HE LYS 44 2HE LYS 44 27.099 -13.386 -12.998 390 2HE LYS 44 3HE LYS 44 26.976 -11.718 -12.444 391 1HZ LYS 44 1HZ LYS 44 27.720 -14.114 -10.970 392 2HZ LYS 44 2HZ LYS 44 26.770 -12.992 -10.134 393 3HZ LYS 44 3HZ LYS 44 28.257 -12.520 -10.788 394 H TYR 45 H TYR 45 22.027 -9.458 -15.179 395 HA TYR 45 HA TYR 45 23.189 -6.920 -14.502 396 1HB TYR 45 2HB TYR 45 22.609 -7.881 -16.854 397 2HB TYR 45 3HB TYR 45 20.994 -7.268 -16.522 398 HD1 TYR 45 1HD TYR 45 20.819 -4.769 -15.862 399 HD2 TYR 45 2HD TYR 45 24.220 -6.472 -17.767 400 HE1 TYR 45 1HE TYR 45 21.509 -2.532 -16.615 401 HE2 TYR 45 2HE TYR 45 24.921 -4.239 -18.524 402 HH TYR 45 HH TYR 45 24.146 -1.568 -17.343 403 H ARG 46 H ARG 46 20.064 -8.462 -14.142 404 HA ARG 46 HA ARG 46 18.498 -6.221 -13.565 405 1HB ARG 46 2HB ARG 46 17.565 -8.455 -13.976 406 2HB ARG 46 3HB ARG 46 18.249 -9.025 -12.459 407 1HG ARG 46 2HG ARG 46 16.110 -8.611 -11.802 408 2HG ARG 46 3HG ARG 46 16.839 -7.040 -11.462 409 1HD ARG 46 2HD ARG 46 14.868 -6.518 -12.599 410 2HD ARG 46 3HD ARG 46 16.118 -6.406 -13.837 411 HE ARG 46 HE ARG 46 15.095 -8.114 -14.948 412 1HH1 ARG 46 2HH1 ARG 46 14.046 -8.159 -11.629 413 2HH1 ARG 46 1HH1 ARG 46 12.882 -9.418 -11.877 414 1HH2 ARG 46 2HH2 ARG 46 13.565 -9.772 -15.288 415 2HH2 ARG 46 1HH2 ARG 46 12.610 -10.335 -13.959 416 H ARG 47 H ARG 47 20.769 -8.004 -11.601 417 HA ARG 47 HA ARG 47 20.001 -7.183 -9.054 418 1HB ARG 47 2HB ARG 47 22.537 -8.108 -10.298 419 2HB ARG 47 3HB ARG 47 22.655 -7.313 -8.733 420 1HG ARG 47 2HG ARG 47 20.667 -9.500 -9.092 421 2HG ARG 47 3HG ARG 47 22.374 -9.907 -8.908 422 1HD ARG 47 2HD ARG 47 22.252 -8.285 -6.871 423 2HD ARG 47 3HD ARG 47 20.518 -8.585 -6.975 424 HE ARG 47 HE ARG 47 20.865 -10.713 -6.185 425 1HH1 ARG 47 2HH1 ARG 47 23.913 -9.294 -7.092 426 2HH1 ARG 47 1HH1 ARG 47 24.861 -10.562 -6.389 427 1HH2 ARG 47 2HH2 ARG 47 22.102 -12.390 -5.257 428 2HH2 ARG 47 1HH2 ARG 47 23.830 -12.324 -5.347 429 H MET 48 H MET 48 21.793 -5.497 -11.547 430 HA MET 48 HA MET 48 22.300 -3.247 -9.747 431 1HB MET 48 2HB MET 48 23.360 -4.094 -12.407 432 2HB MET 48 3HB MET 48 23.414 -2.387 -11.985 433 1HG MET 48 2HG MET 48 24.889 -2.732 -10.236 434 2HG MET 48 3HG MET 48 24.483 -4.442 -10.100 435 1HE MET 48 1HE MET 48 26.828 -6.281 -11.560 436 2HE MET 48 2HE MET 48 25.090 -6.147 -11.291 437 3HE MET 48 3HE MET 48 25.733 -6.130 -12.934 438 H LEU 49 H LEU 49 20.337 -4.190 -12.464 439 HA LEU 49 HA LEU 49 19.524 -1.759 -13.484 440 1HB LEU 49 2HB LEU 49 18.897 -4.238 -14.084 441 2HB LEU 49 3HB LEU 49 17.499 -3.906 -13.063 442 HG LEU 49 HG LEU 49 16.996 -3.597 -15.436 443 1HD1 LEU 49 1HD1 LEU 49 16.010 -2.168 -13.545 444 2HD1 LEU 49 2HD1 LEU 49 15.799 -1.612 -15.205 445 3HD1 LEU 49 3HD1 LEU 49 17.030 -0.877 -14.179 446 1HD2 LEU 49 1HD2 LEU 49 18.506 -1.121 -15.737 447 2HD2 LEU 49 2HD2 LEU 49 18.286 -2.460 -16.864 448 3HD2 LEU 49 3HD2 LEU 49 19.528 -2.553 -15.614 449 H LYS 50 H LYS 50 17.681 -3.627 -11.063 450 HA LYS 50 HA LYS 50 16.151 -1.311 -10.317 451 1HB LYS 50 2HB LYS 50 16.281 -4.016 -8.976 452 2HB LYS 50 3HB LYS 50 15.042 -2.790 -8.738 453 1HG LYS 50 2HG LYS 50 15.539 -3.906 -11.464 454 2HG LYS 50 3HG LYS 50 14.576 -4.809 -10.293 455 1HD LYS 50 2HD LYS 50 13.154 -2.767 -10.017 456 2HD LYS 50 3HD LYS 50 14.043 -2.038 -11.357 457 1HE LYS 50 2HE LYS 50 12.799 -4.729 -11.710 458 2HE LYS 50 3HE LYS 50 11.780 -3.292 -11.776 459 1HZ LYS 50 1HZ LYS 50 12.915 -2.485 -13.627 460 2HZ LYS 50 2HZ LYS 50 12.759 -4.138 -13.946 461 3HZ LYS 50 3HZ LYS 50 14.236 -3.517 -13.404 462 H ARG 51 H ARG 51 16.897 0.224 -9.022 463 HA ARG 51 HA ARG 51 19.049 -0.383 -7.145 464 1HB ARG 51 2HB ARG 51 17.852 2.327 -7.696 465 2HB ARG 51 3HB ARG 51 19.429 1.958 -7.010 466 1HG ARG 51 2HG ARG 51 20.192 1.100 -9.137 467 2HG ARG 51 3HG ARG 51 18.593 1.350 -9.837 468 1HD ARG 51 2HD ARG 51 18.814 3.768 -9.403 469 2HD ARG 51 3HD ARG 51 20.440 3.487 -8.782 470 HE ARG 51 HE ARG 51 20.195 2.431 -11.392 471 1HH1 ARG 51 2HH1 ARG 51 20.449 5.451 -9.679 472 2HH1 ARG 51 1HH1 ARG 51 21.191 6.288 -11.002 473 1HH2 ARG 51 2HH2 ARG 51 21.171 3.522 -13.140 474 2HH2 ARG 51 1HH2 ARG 51 21.600 5.190 -12.970 475 H ALA 52 H ALA 52 18.667 -0.744 -5.067 476 HA ALA 52 HA ALA 52 16.026 -0.120 -3.976 477 1HB ALA 52 1HB ALA 52 16.577 -1.653 -2.187 478 2HB ALA 52 2HB ALA 52 16.882 -2.416 -3.748 479 3HB ALA 52 3HB ALA 52 18.229 -1.802 -2.789 480 H LEU 53 H LEU 53 19.440 0.564 -3.473 481 HA LEU 53 HA LEU 53 19.175 1.934 -1.017 482 1HB LEU 53 2HB LEU 53 21.256 1.149 -2.635 483 2HB LEU 53 3HB LEU 53 21.304 2.907 -2.757 484 HG LEU 53 HG LEU 53 21.124 1.769 -0.029 485 1HD1 LEU 53 1HD1 LEU 53 22.844 0.468 -1.588 486 2HD1 LEU 53 2HD1 LEU 53 23.196 0.857 0.094 487 3HD1 LEU 53 3HD1 LEU 53 23.843 1.867 -1.197 488 1HD2 LEU 53 1HD2 LEU 53 23.161 3.626 -0.193 489 2HD2 LEU 53 2HD2 LEU 53 21.499 3.941 0.305 490 3HD2 LEU 53 3HD2 LEU 53 21.981 4.198 -1.372 491 H LYS 54 H LYS 54 18.637 3.981 -0.532 492 HA LYS 54 HA LYS 54 18.774 6.142 -2.373 493 1HB LYS 54 2HB LYS 54 16.655 4.702 -2.990 494 2HB LYS 54 3HB LYS 54 15.947 5.531 -1.610 495 1HG LYS 54 2HG LYS 54 16.142 7.630 -2.624 496 2HG LYS 54 3HG LYS 54 17.283 7.036 -3.833 497 1HD LYS 54 2HD LYS 54 15.533 5.720 -4.877 498 2HD LYS 54 3HD LYS 54 14.387 6.212 -3.628 499 1HE LYS 54 2HE LYS 54 15.106 8.627 -4.435 500 2HE LYS 54 3HE LYS 54 15.495 7.756 -5.917 501 1HZ LYS 54 1HZ LYS 54 12.985 8.598 -5.007 502 2HZ LYS 54 2HZ LYS 54 12.979 6.907 -5.041 503 3HZ LYS 54 3HZ LYS 54 13.359 7.780 -6.440 504 H ASN 55 H ASN 55 18.213 8.164 -1.416 505 HA ASN 55 HA ASN 55 18.150 8.038 1.517 506 1HB ASN 55 2HB ASN 55 18.870 10.459 -0.127 507 2HB ASN 55 3HB ASN 55 19.257 10.133 1.559 508 1HD2 ASN 55 1HD2 ASN 55 20.257 7.627 1.488 509 2HD2 ASN 55 2HD2 ASN 55 21.701 7.582 0.541 510 H LYS 56 H LYS 56 17.071 9.993 2.558 511 HA LYS 56 HA LYS 56 14.474 10.420 1.241 512 1HB LYS 56 2HB LYS 56 14.925 9.341 3.682 513 2HB LYS 56 3HB LYS 56 14.762 11.036 4.120 514 1HG LYS 56 2HG LYS 56 12.720 9.723 2.375 515 2HG LYS 56 3HG LYS 56 12.673 9.519 4.129 516 1HD LYS 56 2HD LYS 56 12.909 12.257 2.949 517 2HD LYS 56 3HD LYS 56 11.337 11.456 3.009 518 1HE LYS 56 2HE LYS 56 11.606 11.154 5.434 519 2HE LYS 56 3HE LYS 56 13.154 11.994 5.357 520 1HZ LYS 56 1HZ LYS 56 10.871 13.213 5.914 521 2HZ LYS 56 2HZ LYS 56 10.870 13.399 4.233 522 3HZ LYS 56 3HZ LYS 56 12.163 13.992 5.149 523 H ASN 57 H ASN 57 14.319 12.344 0.301 524 HA ASN 57 HA ASN 57 15.996 14.541 0.867 525 1HB ASN 57 2HB ASN 57 13.465 14.208 -0.719 526 2HB ASN 57 3HB ASN 57 14.178 15.802 -0.490 527 1HD2 ASN 57 1HD2 ASN 57 13.928 14.914 -2.992 528 2HD2 ASN 57 2HD2 ASN 57 15.461 14.470 -3.651 529 H LYS 58 H LYS 58 15.919 15.960 2.469 530 HA LYS 58 HA LYS 58 13.380 16.298 3.927 531 1HB LYS 58 2HB LYS 58 15.508 15.315 5.075 532 2HB LYS 58 3HB LYS 58 16.054 16.986 5.099 533 1HG LYS 58 2HG LYS 58 13.834 17.516 6.238 534 2HG LYS 58 3HG LYS 58 13.685 15.773 6.479 535 1HD LYS 58 2HD LYS 58 16.197 17.180 7.288 536 2HD LYS 58 3HD LYS 58 14.773 17.259 8.328 537 1HE LYS 58 2HE LYS 58 15.819 15.400 9.175 538 2HE LYS 58 3HE LYS 58 14.757 14.661 7.977 539 1HZ LYS 58 1HZ LYS 58 17.365 15.451 6.996 540 2HZ LYS 58 2HZ LYS 58 16.484 14.037 6.710 541 3HZ LYS 58 3HZ LYS 58 17.381 14.200 8.134 542 H ALA 59 H ALA 59 12.472 18.252 3.942 543 HA ALA 59 HA ALA 59 14.008 20.672 3.803 544 1HB ALA 59 1HB ALA 59 13.797 21.256 1.660 545 2HB ALA 59 2HB ALA 59 13.415 19.560 1.362 546 3HB ALA 59 3HB ALA 59 12.115 20.730 1.592 547 H GLU 60 H GLU 60 12.619 22.610 3.898 548 HA GLU 60 HA GLU 60 10.456 22.193 5.716 549 1HB GLU 60 2HB GLU 60 10.284 24.601 5.793 550 2HB GLU 60 3HB GLU 60 11.982 24.144 5.837 551 1HG GLU 60 2HG GLU 60 11.797 24.489 3.236 552 2HG GLU 60 3HG GLU 60 10.439 25.512 3.701 Start of MODEL 3 1 1H GLY -2 H GLY -3 29.230 3.043 0.174 2 1HA GLY -2 2HA GLY -3 28.203 2.328 -2.068 3 2HA GLY -2 3HA GLY -3 27.441 1.077 -1.097 4 H SER -1 H SER -2 25.348 1.566 -0.981 5 HA SER -1 HA SER -2 24.514 4.347 -0.728 6 1HB SER -1 2HB SER -2 22.178 3.195 -0.847 7 2HB SER -1 3HB SER -2 23.173 3.265 -2.303 8 HG SER -1 HG SER -2 23.153 1.175 -2.315 9 H HIS 0 H HIS -1 24.506 1.341 1.087 10 HA HIS 0 HA HIS -1 24.035 0.850 3.259 11 1HB HIS 0 2HB HIS -1 24.501 3.792 3.772 12 2HB HIS 0 3HB HIS -1 24.676 2.468 4.919 13 HD1 HIS 0 1HD HIS -1 26.704 4.636 3.081 14 HD2 HIS 0 2HD HIS -1 26.765 0.528 3.702 15 HE1 HIS 0 1HE HIS -1 29.058 3.913 2.568 16 H MET 1 H MET 1 21.810 1.334 1.643 17 HA MET 1 HA MET 1 19.976 2.974 3.197 18 1HB MET 1 2HB MET 1 18.359 2.484 1.421 19 2HB MET 1 3HB MET 1 19.865 3.103 0.758 20 1HG MET 1 2HG MET 1 20.499 1.010 -0.066 21 2HG MET 1 3HG MET 1 19.323 0.164 0.937 22 1HE MET 1 1HE MET 1 16.666 1.428 0.680 23 2HE MET 1 2HE MET 1 15.960 0.818 -0.816 24 3HE MET 1 3HE MET 1 16.838 -0.276 0.254 25 H VAL 2 H VAL 2 17.876 2.101 3.866 26 HA VAL 2 HA VAL 2 18.203 -0.588 4.986 27 HB VAL 2 HB VAL 2 17.667 1.268 6.538 28 1HG1 VAL 2 1HG1 VAL 2 15.967 2.694 6.247 29 2HG1 VAL 2 2HG1 VAL 2 15.943 2.107 4.583 30 3HG1 VAL 2 3HG1 VAL 2 14.850 1.411 5.779 31 1HG2 VAL 2 1HG2 VAL 2 15.317 -0.593 6.444 32 2HG2 VAL 2 2HG2 VAL 2 16.936 -1.183 6.820 33 3HG2 VAL 2 3HG2 VAL 2 16.180 0.033 7.848 34 H GLU 3 H GLU 3 16.705 -2.214 4.695 35 HA GLU 3 HA GLU 3 14.745 -1.754 2.544 36 1HB GLU 3 2HB GLU 3 16.716 -3.372 2.179 37 2HB GLU 3 3HB GLU 3 15.868 -4.445 3.282 38 1HG GLU 3 2HG GLU 3 15.442 -4.935 0.903 39 2HG GLU 3 3HG GLU 3 13.980 -4.562 1.815 40 H MET 4 H MET 4 12.818 -1.447 3.481 41 HA MET 4 HA MET 4 11.776 -3.573 5.183 42 1HB MET 4 2HB MET 4 12.104 -0.715 6.011 43 2HB MET 4 3HB MET 4 10.730 -1.633 6.610 44 1HG MET 4 2HG MET 4 13.567 -2.574 6.887 45 2HG MET 4 3HG MET 4 12.762 -1.570 8.090 46 1HE MET 4 1HE MET 4 11.439 -3.887 10.392 47 2HE MET 4 2HE MET 4 11.914 -2.265 9.889 48 3HE MET 4 3HE MET 4 10.285 -2.851 9.551 49 H ARG 5 H ARG 5 9.449 -3.578 5.328 50 HA ARG 5 HA ARG 5 8.169 -3.075 2.899 51 1HB ARG 5 2HB ARG 5 6.064 -3.536 4.141 52 2HB ARG 5 3HB ARG 5 7.314 -4.742 4.413 53 1HG ARG 5 2HG ARG 5 6.756 -4.473 6.566 54 2HG ARG 5 3HG ARG 5 7.803 -3.056 6.465 55 1HD ARG 5 2HD ARG 5 6.065 -1.598 6.513 56 2HD ARG 5 3HD ARG 5 4.989 -2.687 5.638 57 HE ARG 5 HE ARG 5 5.200 -2.405 8.459 58 1HH1 ARG 5 2HH1 ARG 5 4.597 -4.725 5.935 59 2HH1 ARG 5 1HH1 ARG 5 3.646 -5.767 6.940 60 1HH2 ARG 5 2HH2 ARG 5 3.949 -3.768 9.793 61 2HH2 ARG 5 1HH2 ARG 5 3.277 -5.221 9.135 62 H MET 6 H MET 6 7.095 -1.379 2.070 63 HA MET 6 HA MET 6 5.870 0.664 3.574 64 1HB MET 6 2HB MET 6 7.350 2.499 3.313 65 2HB MET 6 3HB MET 6 8.316 1.184 3.970 66 1HG MET 6 2HG MET 6 8.711 0.777 1.346 67 2HG MET 6 3HG MET 6 8.460 2.520 1.352 68 1HE MET 6 1HE MET 6 11.201 3.626 3.979 69 2HE MET 6 2HE MET 6 9.665 4.043 3.220 70 3HE MET 6 3HE MET 6 9.704 2.885 4.549 71 H LYS 7 H LYS 7 5.721 2.754 1.969 72 HA LYS 7 HA LYS 7 5.086 1.684 -0.702 73 1HB LYS 7 2HB LYS 7 3.225 3.533 -0.588 74 2HB LYS 7 3HB LYS 7 2.952 1.950 0.128 75 1HG LYS 7 2HG LYS 7 4.136 4.014 1.880 76 2HG LYS 7 3HG LYS 7 2.450 4.234 1.406 77 1HD LYS 7 2HD LYS 7 3.562 1.706 2.620 78 2HD LYS 7 3HD LYS 7 2.751 2.978 3.538 79 1HE LYS 7 2HE LYS 7 0.833 2.641 1.827 80 2HE LYS 7 3HE LYS 7 1.624 1.100 1.495 81 1HZ LYS 7 1HZ LYS 7 1.353 0.448 3.757 82 2HZ LYS 7 2HZ LYS 7 -0.151 0.982 3.197 83 3HZ LYS 7 3HZ LYS 7 0.778 1.976 4.201 84 H LYS 8 H LYS 8 4.911 3.393 -2.382 85 HA LYS 8 HA LYS 8 6.567 5.748 -1.805 86 1HB LYS 8 2HB LYS 8 8.038 4.089 -2.819 87 2HB LYS 8 3HB LYS 8 6.915 3.879 -4.155 88 1HG LYS 8 2HG LYS 8 7.278 6.277 -4.740 89 2HG LYS 8 3HG LYS 8 8.541 6.325 -3.510 90 1HD LYS 8 2HD LYS 8 9.816 5.836 -5.341 91 2HD LYS 8 3HD LYS 8 9.402 4.197 -4.830 92 1HE LYS 8 2HE LYS 8 7.323 4.609 -6.403 93 2HE LYS 8 3HE LYS 8 8.409 5.781 -7.148 94 1HZ LYS 8 1HZ LYS 8 10.005 3.655 -6.958 95 2HZ LYS 8 2HZ LYS 8 9.066 4.001 -8.321 96 3HZ LYS 8 3HZ LYS 8 8.515 2.885 -7.176 97 H CYS 9 H CYS 9 6.135 7.572 -3.061 98 HA CYS 9 HA CYS 9 3.460 7.776 -4.021 99 1HB CYS 9 2HB CYS 9 4.666 9.641 -2.909 100 2HB CYS 9 3HB CYS 9 5.733 9.753 -4.304 101 HA PRO 10 HA PRO 10 4.413 6.345 -8.141 102 1HB PRO 10 2HB PRO 10 1.875 6.555 -9.082 103 2HB PRO 10 3HB PRO 10 2.412 5.221 -8.053 104 1HG PRO 10 2HG PRO 10 0.903 7.698 -7.311 105 2HG PRO 10 3HG PRO 10 0.638 6.027 -6.782 106 1HD PRO 10 2HD PRO 10 1.928 7.852 -5.252 107 2HD PRO 10 3HD PRO 10 2.326 6.122 -5.215 108 H LYS 11 H LYS 11 3.498 9.411 -7.094 109 HA LYS 11 HA LYS 11 3.378 10.540 -9.789 110 1HB LYS 11 2HB LYS 11 2.314 11.277 -7.207 111 2HB LYS 11 3HB LYS 11 3.229 12.611 -7.897 112 1HG LYS 11 2HG LYS 11 1.031 12.935 -8.624 113 2HG LYS 11 3HG LYS 11 1.873 12.248 -10.014 114 1HD LYS 11 2HD LYS 11 0.778 10.166 -8.347 115 2HD LYS 11 3HD LYS 11 -0.477 11.313 -8.820 116 1HE LYS 11 2HE LYS 11 1.422 10.350 -10.898 117 2HE LYS 11 3HE LYS 11 0.162 9.249 -10.341 118 1HZ LYS 11 1HZ LYS 11 -0.053 11.623 -11.974 119 2HZ LYS 11 2HZ LYS 11 -1.223 11.506 -10.759 120 3HZ LYS 11 3HZ LYS 11 -1.059 10.265 -11.899 121 H CYS 12 H CYS 12 5.274 10.764 -6.806 122 HA CYS 12 HA CYS 12 7.329 12.261 -8.286 123 1HB CYS 12 2HB CYS 12 7.185 11.955 -5.290 124 2HB CYS 12 3HB CYS 12 8.096 13.140 -6.218 125 H GLY 13 H GLY 13 7.087 9.786 -5.720 126 1HA GLY 13 2HA GLY 13 8.178 7.614 -6.241 127 2HA GLY 13 3HA GLY 13 9.527 8.560 -6.852 128 H LEU 14 H LEU 14 7.916 9.692 -4.023 129 HA LEU 14 HA LEU 14 10.325 9.231 -2.469 130 1HB LEU 14 2HB LEU 14 9.564 11.367 -2.098 131 2HB LEU 14 3HB LEU 14 7.869 10.888 -2.161 132 HG LEU 14 HG LEU 14 8.112 9.865 0.078 133 1HD1 LEU 14 1HD1 LEU 14 10.725 11.275 0.386 134 2HD1 LEU 14 2HD1 LEU 14 10.681 9.647 -0.291 135 3HD1 LEU 14 3HD1 LEU 14 10.045 9.946 1.326 136 1HD2 LEU 14 1HD2 LEU 14 9.006 12.739 0.092 137 2HD2 LEU 14 2HD2 LEU 14 8.019 11.901 1.290 138 3HD2 LEU 14 3HD2 LEU 14 7.365 12.237 -0.314 139 H TYR 15 H TYR 15 10.552 7.792 -0.858 140 HA TYR 15 HA TYR 15 8.430 5.850 -0.472 141 1HB TYR 15 2HB TYR 15 11.325 5.982 0.331 142 2HB TYR 15 3HB TYR 15 10.248 4.772 1.019 143 HD1 TYR 15 1HD TYR 15 11.612 6.046 -2.191 144 HD2 TYR 15 2HD TYR 15 9.740 2.806 -0.166 145 HE1 TYR 15 1HE TYR 15 11.983 4.613 -4.155 146 HE2 TYR 15 2HE TYR 15 10.106 1.364 -2.125 147 HH TYR 15 HH TYR 15 11.903 2.515 -4.945 148 H THR 16 H THR 16 7.506 5.319 1.517 149 HA THR 16 HA THR 16 8.146 6.540 3.972 150 HB THR 16 HB THR 16 7.263 8.564 2.840 151 HG1 THR 16 1HG THR 16 5.896 9.118 4.570 152 1HG2 THR 16 1HG2 THR 16 5.448 6.946 1.675 153 2HG2 THR 16 2HG2 THR 16 5.230 8.687 1.848 154 3HG2 THR 16 3HG2 THR 16 4.481 7.586 3.003 155 H LEU 17 H LEU 17 6.153 6.358 5.533 156 HA LEU 17 HA LEU 17 4.706 3.877 4.875 157 1HB LEU 17 2HB LEU 17 5.958 4.721 7.479 158 2HB LEU 17 3HB LEU 17 4.806 3.394 7.343 159 HG LEU 17 HG LEU 17 7.170 3.245 5.578 160 1HD1 LEU 17 1HD1 LEU 17 7.415 3.615 8.452 161 2HD1 LEU 17 2HD1 LEU 17 8.652 3.634 7.196 162 3HD1 LEU 17 3HD1 LEU 17 8.122 2.101 7.889 163 1HD2 LEU 17 1HD2 LEU 17 5.855 1.368 5.429 164 2HD2 LEU 17 2HD2 LEU 17 5.402 1.416 7.134 165 3HD2 LEU 17 3HD2 LEU 17 7.011 0.867 6.663 166 H LYS 18 H LYS 18 4.326 7.067 5.327 167 HA LYS 18 HA LYS 18 2.031 7.063 7.068 168 1HB LYS 18 2HB LYS 18 3.196 9.208 5.285 169 2HB LYS 18 3HB LYS 18 1.844 9.457 6.382 170 1HG LYS 18 2HG LYS 18 3.684 8.404 8.068 171 2HG LYS 18 3HG LYS 18 4.718 9.275 6.933 172 1HD LYS 18 2HD LYS 18 2.968 11.196 7.302 173 2HD LYS 18 3HD LYS 18 2.634 10.319 8.798 174 1HE LYS 18 2HE LYS 18 5.038 10.434 9.356 175 2HE LYS 18 3HE LYS 18 5.309 11.388 7.898 176 1HZ LYS 18 1HZ LYS 18 4.494 13.223 8.854 177 2HZ LYS 18 2HZ LYS 18 4.780 12.422 10.316 178 3HZ LYS 18 3HZ LYS 18 3.233 12.405 9.630 179 H GLU 19 H GLU 19 2.460 5.992 4.009 180 HA GLU 19 HA GLU 19 1.053 5.440 2.309 181 1HB GLU 19 2HB GLU 19 -1.144 6.259 4.217 182 2HB GLU 19 3HB GLU 19 -1.332 5.274 2.772 183 1HG GLU 19 2HG GLU 19 0.583 3.912 4.186 184 2HG GLU 19 3HG GLU 19 -0.480 4.527 5.451 185 H ILE 20 H ILE 20 1.753 8.398 3.146 186 HA ILE 20 HA ILE 20 0.287 9.571 0.905 187 HB ILE 20 HB ILE 20 0.439 10.886 3.621 188 1HG1 ILE 20 2HG1 ILE 20 -1.236 9.028 3.392 189 2HG1 ILE 20 3HG1 ILE 20 -1.943 10.600 3.746 190 1HG2 ILE 20 1HG2 ILE 20 -0.499 11.836 0.939 191 2HG2 ILE 20 2HG2 ILE 20 -1.139 12.527 2.428 192 3HG2 ILE 20 3HG2 ILE 20 0.587 12.627 2.080 193 1HD1 ILE 20 1HD1 ILE 20 -3.219 10.460 1.951 194 2HD1 ILE 20 2HD1 ILE 20 -1.804 10.244 0.919 195 3HD1 ILE 20 3HD1 ILE 20 -2.580 8.843 1.657 196 H CYS 21 H CYS 21 1.367 11.229 -0.147 197 HA CYS 21 HA CYS 21 4.218 11.358 0.395 198 1HB CYS 21 2HB CYS 21 3.511 10.986 -1.906 199 2HB CYS 21 3HB CYS 21 2.566 12.470 -1.881 200 HA PRO 22 HA PRO 22 3.513 15.164 2.661 201 1HB PRO 22 2HB PRO 22 6.080 15.411 3.510 202 2HB PRO 22 3HB PRO 22 4.920 14.312 4.266 203 1HG PRO 22 2HG PRO 22 7.061 13.718 2.261 204 2HG PRO 22 3HG PRO 22 6.601 12.806 3.710 205 1HD PRO 22 2HD PRO 22 5.807 12.087 1.224 206 2HD PRO 22 3HD PRO 22 4.809 11.804 2.664 207 H LYS 23 H LYS 23 5.328 14.553 -0.124 208 HA LYS 23 HA LYS 23 6.531 17.162 -0.360 209 1HB LYS 23 2HB LYS 23 7.029 14.711 -1.503 210 2HB LYS 23 3HB LYS 23 6.257 15.587 -2.818 211 1HG LYS 23 2HG LYS 23 8.659 15.830 -2.935 212 2HG LYS 23 3HG LYS 23 7.903 17.385 -2.578 213 1HD LYS 23 2HD LYS 23 8.854 17.520 -0.538 214 2HD LYS 23 3HD LYS 23 8.659 15.794 -0.222 215 1HE LYS 23 2HE LYS 23 10.935 15.910 -0.385 216 2HE LYS 23 3HE LYS 23 10.527 15.595 -2.072 217 1HZ LYS 23 1HZ LYS 23 11.267 17.591 -2.694 218 2HZ LYS 23 2HZ LYS 23 12.054 17.643 -1.197 219 3HZ LYS 23 3HZ LYS 23 10.549 18.391 -1.386 220 H CYS 24 H CYS 24 4.081 15.431 -2.297 221 HA CYS 24 HA CYS 24 3.016 18.034 -3.137 222 1HB CYS 24 2HB CYS 24 1.909 16.794 -4.951 223 2HB CYS 24 3HB CYS 24 3.648 16.527 -4.955 224 H GLY 25 H GLY 25 2.123 14.976 -1.637 225 1HA GLY 25 2HA GLY 25 0.466 14.999 0.128 226 2HA GLY 25 3HA GLY 25 -0.390 16.248 -0.763 227 H GLU 26 H GLU 26 0.944 13.453 -2.364 228 HA GLU 26 HA GLU 26 -1.799 12.539 -2.906 229 1HB GLU 26 2HB GLU 26 -0.603 13.205 -4.908 230 2HB GLU 26 3HB GLU 26 0.745 12.157 -4.491 231 1HG GLU 26 2HG GLU 26 -0.905 11.355 -6.267 232 2HG GLU 26 3HG GLU 26 -0.429 10.224 -5.002 233 H LYS 27 H LYS 27 -2.414 10.494 -2.446 234 HA LYS 27 HA LYS 27 -1.169 9.011 -0.484 235 1HB LYS 27 2HB LYS 27 -2.925 7.846 -2.649 236 2HB LYS 27 3HB LYS 27 -2.687 7.221 -1.022 237 1HG LYS 27 2HG LYS 27 -3.590 9.700 -0.461 238 2HG LYS 27 3HG LYS 27 -4.423 9.387 -1.985 239 1HD LYS 27 2HD LYS 27 -5.331 7.317 -1.086 240 2HD LYS 27 3HD LYS 27 -4.454 7.570 0.425 241 1HE LYS 27 2HE LYS 27 -6.776 8.228 0.675 242 2HE LYS 27 3HE LYS 27 -5.724 9.638 0.800 243 1HZ LYS 27 1HZ LYS 27 -6.328 10.351 -1.336 244 2HZ LYS 27 2HZ LYS 27 -7.782 9.893 -0.606 245 3HZ LYS 27 3HZ LYS 27 -7.046 8.872 -1.736 246 H THR 28 H THR 28 0.274 7.348 -0.414 247 HA THR 28 HA THR 28 1.894 6.948 -2.802 248 HB THR 28 HB THR 28 3.316 5.576 -1.126 249 HG1 THR 28 1HG THR 28 1.338 5.887 0.422 250 1HG2 THR 28 1HG2 THR 28 4.610 7.412 -0.904 251 2HG2 THR 28 2HG2 THR 28 3.311 8.364 -0.186 252 3HG2 THR 28 3HG2 THR 28 3.398 8.168 -1.936 253 H VAL 29 H VAL 29 2.561 4.815 -3.475 254 HA VAL 29 HA VAL 29 0.676 2.676 -2.742 255 HB VAL 29 HB VAL 29 0.477 1.962 -5.030 256 1HG1 VAL 29 1HG1 VAL 29 -0.990 3.579 -5.778 257 2HG1 VAL 29 2HG1 VAL 29 -0.874 3.968 -4.061 258 3HG1 VAL 29 3HG1 VAL 29 0.037 4.909 -5.244 259 1HG2 VAL 29 1HG2 VAL 29 1.527 3.971 -6.614 260 2HG2 VAL 29 2HG2 VAL 29 2.775 3.697 -5.399 261 3HG2 VAL 29 3HG2 VAL 29 2.201 2.357 -6.391 262 H ILE 30 H ILE 30 1.463 0.531 -3.017 263 HA ILE 30 HA ILE 30 4.128 0.153 -2.233 264 HB ILE 30 HB ILE 30 2.264 -1.867 -3.487 265 1HG1 ILE 30 2HG1 ILE 30 1.270 -0.866 -1.506 266 2HG1 ILE 30 3HG1 ILE 30 1.785 -2.509 -1.141 267 1HG2 ILE 30 1HG2 ILE 30 4.021 -3.229 -3.433 268 2HG2 ILE 30 2HG2 ILE 30 5.001 -2.033 -2.588 269 3HG2 ILE 30 3HG2 ILE 30 3.961 -3.124 -1.674 270 1HD1 ILE 30 1HD1 ILE 30 3.790 -1.627 -0.052 271 2HD1 ILE 30 2HD1 ILE 30 3.245 0.014 -0.400 272 3HD1 ILE 30 3HD1 ILE 30 2.309 -1.014 0.685 273 HA PRO 31 HA PRO 31 5.962 0.695 -6.292 274 1HB PRO 31 2HB PRO 31 8.526 0.569 -5.410 275 2HB PRO 31 3HB PRO 31 7.528 2.020 -5.258 276 1HG PRO 31 2HG PRO 31 8.144 -0.077 -3.212 277 2HG PRO 31 3HG PRO 31 8.100 1.686 -3.028 278 1HD PRO 31 2HD PRO 31 6.062 0.087 -2.240 279 2HD PRO 31 3HD PRO 31 5.802 1.734 -2.847 280 H LYS 32 H LYS 32 8.132 -0.496 -7.170 281 HA LYS 32 HA LYS 32 7.631 -3.375 -6.796 282 1HB LYS 32 2HB LYS 32 8.005 -1.710 -9.191 283 2HB LYS 32 3HB LYS 32 8.939 -3.200 -9.192 284 1HG LYS 32 2HG LYS 32 6.856 -4.459 -8.757 285 2HG LYS 32 3HG LYS 32 5.955 -2.947 -8.887 286 1HD LYS 32 2HD LYS 32 7.777 -3.831 -11.093 287 2HD LYS 32 3HD LYS 32 6.143 -4.485 -10.962 288 1HE LYS 32 2HE LYS 32 5.236 -2.211 -11.026 289 2HE LYS 32 3HE LYS 32 6.870 -1.563 -11.160 290 1HZ LYS 32 1HZ LYS 32 6.973 -3.125 -13.213 291 2HZ LYS 32 2HZ LYS 32 6.210 -1.620 -13.339 292 3HZ LYS 32 3HZ LYS 32 5.285 -3.025 -13.155 293 HA PRO 33 HA PRO 33 11.939 -2.549 -5.302 294 1HB PRO 33 2HB PRO 33 11.747 -4.185 -3.144 295 2HB PRO 33 3HB PRO 33 11.234 -2.494 -3.116 296 1HG PRO 33 2HG PRO 33 9.584 -4.969 -3.450 297 2HG PRO 33 3HG PRO 33 9.255 -3.530 -2.469 298 1HD PRO 33 2HD PRO 33 8.106 -3.939 -4.887 299 2HD PRO 33 3HD PRO 33 8.495 -2.318 -4.276 300 HA PRO 34 HA PRO 34 13.775 -6.213 -6.894 301 1HB PRO 34 2HB PRO 34 15.928 -6.559 -5.277 302 2HB PRO 34 3HB PRO 34 15.826 -5.265 -6.476 303 1HG PRO 34 2HG PRO 34 15.322 -5.159 -3.527 304 2HG PRO 34 3HG PRO 34 16.197 -4.009 -4.555 305 1HD PRO 34 2HD PRO 34 13.647 -3.592 -3.747 306 2HD PRO 34 3HD PRO 34 14.259 -3.015 -5.310 307 H LYS 35 H LYS 35 14.767 -8.398 -6.152 308 HA LYS 35 HA LYS 35 12.823 -9.631 -4.373 309 1HB LYS 35 2HB LYS 35 15.005 -10.994 -5.951 310 2HB LYS 35 3HB LYS 35 13.565 -11.730 -5.260 311 1HG LYS 35 2HG LYS 35 12.868 -11.564 -7.404 312 2HG LYS 35 3HG LYS 35 12.374 -9.964 -6.847 313 1HD LYS 35 2HD LYS 35 14.064 -8.901 -7.976 314 2HD LYS 35 3HD LYS 35 15.130 -10.306 -7.921 315 1HE LYS 35 2HE LYS 35 13.554 -11.425 -9.534 316 2HE LYS 35 3HE LYS 35 12.743 -9.868 -9.706 317 1HZ LYS 35 1HZ LYS 35 14.921 -10.747 -11.123 318 2HZ LYS 35 2HZ LYS 35 15.559 -9.618 -10.037 319 3HZ LYS 35 3HZ LYS 35 14.312 -9.169 -11.088 320 H PHE 36 H PHE 36 16.209 -8.826 -4.475 321 HA PHE 36 HA PHE 36 17.260 -10.503 -2.544 322 1HB PHE 36 2HB PHE 36 17.911 -7.651 -3.270 323 2HB PHE 36 3HB PHE 36 18.829 -8.535 -2.056 324 HD1 PHE 36 1HD PHE 36 20.511 -10.043 -2.672 325 HD2 PHE 36 2HD PHE 36 17.820 -8.555 -5.616 326 HE1 PHE 36 1HE PHE 36 21.907 -11.028 -4.442 327 HE2 PHE 36 2HE PHE 36 19.212 -9.538 -7.389 328 HZ PHE 36 HZ PHE 36 21.259 -10.777 -6.805 329 H SER 37 H SER 37 16.434 -10.910 -0.604 330 HA SER 37 HA SER 37 16.034 -8.737 1.264 331 1HB SER 37 2HB SER 37 13.825 -9.236 -0.057 332 2HB SER 37 3HB SER 37 13.736 -10.647 0.997 333 HG SER 37 HG SER 37 12.678 -8.672 1.770 334 H LEU 38 H LEU 38 15.849 -9.458 3.464 335 HA LEU 38 HA LEU 38 17.458 -11.737 4.011 336 1HB LEU 38 2HB LEU 38 16.048 -9.672 5.605 337 2HB LEU 38 3HB LEU 38 16.482 -11.171 6.424 338 HG LEU 38 HG LEU 38 18.130 -9.346 6.736 339 1HD1 LEU 38 1HD1 LEU 38 20.087 -10.835 5.705 340 2HD1 LEU 38 2HD1 LEU 38 18.764 -11.993 5.578 341 3HD1 LEU 38 3HD1 LEU 38 19.186 -11.307 7.146 342 1HD2 LEU 38 1HD2 LEU 38 17.725 -8.716 4.165 343 2HD2 LEU 38 2HD2 LEU 38 19.170 -9.713 3.993 344 3HD2 LEU 38 3HD2 LEU 38 19.197 -8.293 5.041 345 H GLU 39 H GLU 39 14.031 -11.164 3.861 346 HA GLU 39 HA GLU 39 13.579 -13.991 4.542 347 1HB GLU 39 2HB GLU 39 11.624 -11.802 5.224 348 2HB GLU 39 3HB GLU 39 11.612 -13.474 5.769 349 1HG GLU 39 2HG GLU 39 13.689 -13.037 7.033 350 2HG GLU 39 3HG GLU 39 13.586 -11.343 6.553 351 H ASP 40 H ASP 40 12.826 -15.028 2.831 352 HA ASP 40 HA ASP 40 10.772 -13.766 1.177 353 1HB ASP 40 2HB ASP 40 13.367 -14.912 0.143 354 2HB ASP 40 3HB ASP 40 11.953 -14.672 -0.880 355 H ARG 41 H ARG 41 9.135 -15.111 0.811 356 HA ARG 41 HA ARG 41 9.028 -17.694 1.880 357 1HB ARG 41 2HB ARG 41 7.122 -16.062 1.178 358 2HB ARG 41 3HB ARG 41 7.257 -16.848 -0.389 359 1HG ARG 41 2HG ARG 41 6.643 -18.948 0.507 360 2HG ARG 41 3HG ARG 41 6.823 -18.370 2.164 361 1HD ARG 41 2HD ARG 41 4.914 -16.954 1.954 362 2HD ARG 41 3HD ARG 41 4.817 -17.249 0.219 363 HE ARG 41 HE ARG 41 4.561 -19.617 1.841 364 1HH1 ARG 41 2HH1 ARG 41 2.891 -16.960 0.333 365 2HH1 ARG 41 1HH1 ARG 41 1.365 -17.778 0.286 366 1HH2 ARG 41 2HH2 ARG 41 2.557 -20.702 1.784 367 2HH2 ARG 41 1HH2 ARG 41 1.175 -19.905 1.112 368 H TRP 42 H TRP 42 9.884 -16.546 -1.318 369 HA TRP 42 HA TRP 42 10.089 -19.282 -2.323 370 1HB TRP 42 2HB TRP 42 10.648 -16.719 -3.822 371 2HB TRP 42 3HB TRP 42 10.359 -18.318 -4.502 372 HD1 TRP 42 1HD TRP 42 8.640 -15.277 -4.482 373 HE1 TRP 42 1HE TRP 42 6.080 -15.534 -4.398 374 HE3 TRP 42 3HE TRP 42 8.364 -20.124 -2.878 375 HZ2 TRP 42 2HZ TRP 42 4.194 -17.528 -3.739 376 HZ3 TRP 42 3HZ TRP 42 6.144 -21.131 -2.546 377 HH2 TRP 42 2HH TRP 42 4.103 -19.859 -2.967 378 H GLY 43 H GLY 43 11.924 -17.938 -0.298 379 1HA GLY 43 2HA GLY 43 14.419 -17.355 -1.333 380 2HA GLY 43 3HA GLY 43 14.153 -18.109 0.233 381 H LYS 44 H LYS 44 12.873 -20.467 -1.016 382 HA LYS 44 HA LYS 44 15.330 -21.902 -1.606 383 1HB LYS 44 2HB LYS 44 12.493 -22.831 -1.148 384 2HB LYS 44 3HB LYS 44 13.826 -23.916 -1.517 385 1HG LYS 44 2HG LYS 44 13.910 -22.044 0.825 386 2HG LYS 44 3HG LYS 44 13.174 -23.646 0.925 387 1HD LYS 44 2HD LYS 44 15.973 -23.246 -0.091 388 2HD LYS 44 3HD LYS 44 15.624 -23.419 1.631 389 1HE LYS 44 2HE LYS 44 14.320 -25.541 0.873 390 2HE LYS 44 3HE LYS 44 15.308 -25.408 -0.581 391 1HZ LYS 44 1HZ LYS 44 17.266 -25.312 1.000 392 2HZ LYS 44 2HZ LYS 44 16.492 -26.808 0.844 393 3HZ LYS 44 3HZ LYS 44 16.203 -25.843 2.204 394 H TYR 45 H TYR 45 12.532 -20.696 -3.247 395 HA TYR 45 HA TYR 45 12.382 -22.325 -5.475 396 1HB TYR 45 2HB TYR 45 10.953 -20.263 -4.776 397 2HB TYR 45 3HB TYR 45 12.105 -19.348 -5.741 398 HD1 TYR 45 1HD TYR 45 9.137 -21.317 -5.796 399 HD2 TYR 45 2HD TYR 45 12.437 -20.087 -8.184 400 HE1 TYR 45 1HE TYR 45 7.869 -21.879 -7.827 401 HE2 TYR 45 2HE TYR 45 11.177 -20.644 -10.221 402 HH TYR 45 HH TYR 45 9.304 -21.493 -11.053 403 H ARG 46 H ARG 46 14.762 -19.926 -4.648 404 HA ARG 46 HA ARG 46 15.887 -19.334 -7.099 405 1HB ARG 46 2HB ARG 46 16.649 -18.187 -5.146 406 2HB ARG 46 3HB ARG 46 17.175 -19.687 -4.394 407 1HG ARG 46 2HG ARG 46 19.005 -19.900 -5.874 408 2HG ARG 46 3HG ARG 46 18.385 -18.631 -6.932 409 1HD ARG 46 2HD ARG 46 19.179 -18.154 -4.067 410 2HD ARG 46 3HD ARG 46 20.295 -17.972 -5.420 411 HE ARG 46 HE ARG 46 18.003 -16.463 -5.957 412 1HH1 ARG 46 2HH1 ARG 46 20.694 -16.506 -3.749 413 2HH1 ARG 46 1HH1 ARG 46 20.697 -14.789 -3.514 414 1HH2 ARG 46 2HH2 ARG 46 17.997 -14.201 -5.657 415 2HH2 ARG 46 1HH2 ARG 46 19.162 -13.480 -4.600 416 H ARG 47 H ARG 47 16.197 -22.236 -5.162 417 HA ARG 47 HA ARG 47 18.411 -23.400 -6.399 418 1HB ARG 47 2HB ARG 47 16.077 -24.415 -4.859 419 2HB ARG 47 3HB ARG 47 17.016 -25.588 -5.772 420 1HG ARG 47 2HG ARG 47 18.273 -23.664 -3.840 421 2HG ARG 47 3HG ARG 47 17.665 -25.248 -3.355 422 1HD ARG 47 2HD ARG 47 19.154 -26.295 -5.020 423 2HD ARG 47 3HD ARG 47 19.793 -24.701 -5.421 424 HE ARG 47 HE ARG 47 20.203 -24.864 -2.757 425 1HH1 ARG 47 2HH1 ARG 47 20.965 -26.979 -5.416 426 2HH1 ARG 47 1HH1 ARG 47 22.383 -27.629 -4.662 427 1HH2 ARG 47 2HH2 ARG 47 22.067 -25.714 -1.755 428 2HH2 ARG 47 1HH2 ARG 47 23.008 -26.909 -2.579 429 H MET 48 H MET 48 15.071 -23.181 -7.408 430 HA MET 48 HA MET 48 15.583 -24.934 -9.695 431 1HB MET 48 2HB MET 48 13.470 -25.026 -8.182 432 2HB MET 48 3HB MET 48 12.947 -23.624 -9.106 433 1HG MET 48 2HG MET 48 11.971 -25.330 -10.277 434 2HG MET 48 3HG MET 48 13.480 -25.121 -11.164 435 1HE MET 48 1HE MET 48 15.319 -26.309 -11.141 436 2HE MET 48 2HE MET 48 15.772 -27.664 -10.106 437 3HE MET 48 3HE MET 48 14.922 -27.959 -11.623 438 H LEU 49 H LEU 49 15.135 -21.604 -8.852 439 HA LEU 49 HA LEU 49 14.313 -20.471 -11.231 440 1HB LEU 49 2HB LEU 49 14.946 -19.454 -8.885 441 2HB LEU 49 3HB LEU 49 16.485 -19.144 -9.684 442 HG LEU 49 HG LEU 49 13.900 -18.204 -10.882 443 1HD1 LEU 49 1HD1 LEU 49 15.209 -17.235 -8.458 444 2HD1 LEU 49 2HD1 LEU 49 13.589 -16.920 -9.079 445 3HD1 LEU 49 3HD1 LEU 49 14.962 -15.991 -9.683 446 1HD2 LEU 49 1HD2 LEU 49 15.730 -16.368 -11.507 447 2HD2 LEU 49 2HD2 LEU 49 15.479 -17.826 -12.466 448 3HD2 LEU 49 3HD2 LEU 49 16.797 -17.756 -11.296 449 H LYS 50 H LYS 50 17.429 -21.782 -10.374 450 HA LYS 50 HA LYS 50 18.789 -20.670 -12.656 451 1HB LYS 50 2HB LYS 50 19.747 -22.973 -10.965 452 2HB LYS 50 3HB LYS 50 20.712 -21.830 -11.889 453 1HG LYS 50 2HG LYS 50 20.168 -20.057 -10.353 454 2HG LYS 50 3HG LYS 50 19.067 -21.118 -9.470 455 1HD LYS 50 2HD LYS 50 20.828 -22.426 -8.631 456 2HD LYS 50 3HD LYS 50 21.977 -21.786 -9.808 457 1HE LYS 50 2HE LYS 50 20.688 -19.882 -7.922 458 2HE LYS 50 3HE LYS 50 21.937 -20.957 -7.293 459 1HZ LYS 50 1HZ LYS 50 23.447 -20.134 -8.992 460 2HZ LYS 50 2HZ LYS 50 22.875 -18.863 -8.034 461 3HZ LYS 50 3HZ LYS 50 22.250 -19.097 -9.588 462 H ARG 51 H ARG 51 20.001 -22.215 -14.144 463 HA ARG 51 HA ARG 51 19.827 -23.632 -15.924 464 1HB ARG 51 2HB ARG 51 18.903 -25.298 -13.603 465 2HB ARG 51 3HB ARG 51 18.935 -25.971 -15.227 466 1HG ARG 51 2HG ARG 51 20.968 -26.604 -14.257 467 2HG ARG 51 3HG ARG 51 21.367 -25.250 -15.316 468 1HD ARG 51 2HD ARG 51 20.668 -24.584 -12.522 469 2HD ARG 51 3HD ARG 51 22.194 -25.432 -12.769 470 HE ARG 51 HE ARG 51 21.660 -22.712 -13.347 471 1HH1 ARG 51 2HH1 ARG 51 23.394 -25.486 -14.536 472 2HH1 ARG 51 1HH1 ARG 51 24.612 -24.545 -15.335 473 1HH2 ARG 51 2HH2 ARG 51 23.255 -21.462 -14.394 474 2HH2 ARG 51 1HH2 ARG 51 24.532 -22.257 -15.253 475 H ALA 52 H ALA 52 17.607 -21.823 -15.512 476 HA ALA 52 HA ALA 52 15.226 -23.327 -16.215 477 1HB ALA 52 1HB ALA 52 15.123 -21.368 -14.696 478 2HB ALA 52 2HB ALA 52 15.584 -20.339 -16.052 479 3HB ALA 52 3HB ALA 52 14.062 -21.228 -16.098 480 H LEU 53 H LEU 53 17.725 -21.505 -17.779 481 HA LEU 53 HA LEU 53 16.416 -21.999 -20.364 482 1HB LEU 53 2HB LEU 53 16.713 -19.501 -19.264 483 2HB LEU 53 3HB LEU 53 18.130 -19.636 -20.302 484 HG LEU 53 HG LEU 53 16.688 -20.058 -22.228 485 1HD1 LEU 53 1HD1 LEU 53 14.804 -21.146 -21.397 486 2HD1 LEU 53 2HD1 LEU 53 14.200 -19.553 -21.853 487 3HD1 LEU 53 3HD1 LEU 53 14.524 -19.921 -20.159 488 1HD2 LEU 53 1HD2 LEU 53 17.324 -17.743 -21.544 489 2HD2 LEU 53 2HD2 LEU 53 15.764 -17.610 -20.733 490 3HD2 LEU 53 3HD2 LEU 53 15.832 -17.840 -22.481 491 H LYS 54 H LYS 54 17.995 -21.867 -22.205 492 HA LYS 54 HA LYS 54 20.400 -23.334 -21.465 493 1HB LYS 54 2HB LYS 54 18.920 -22.871 -24.034 494 2HB LYS 54 3HB LYS 54 20.580 -23.453 -24.063 495 1HG LYS 54 2HG LYS 54 18.433 -24.825 -22.478 496 2HG LYS 54 3HG LYS 54 18.741 -25.194 -24.176 497 1HD LYS 54 2HD LYS 54 20.955 -25.922 -23.701 498 2HD LYS 54 3HD LYS 54 20.877 -25.291 -22.055 499 1HE LYS 54 2HE LYS 54 20.506 -27.527 -21.684 500 2HE LYS 54 3HE LYS 54 18.853 -26.937 -21.844 501 1HZ LYS 54 1HZ LYS 54 18.655 -28.546 -23.356 502 2HZ LYS 54 2HZ LYS 54 20.326 -28.744 -23.529 503 3HZ LYS 54 3HZ LYS 54 19.524 -27.528 -24.390 504 H ASN 55 H ASN 55 22.283 -22.809 -23.178 505 HA ASN 55 HA ASN 55 23.396 -20.372 -22.368 506 1HB ASN 55 2HB ASN 55 24.494 -22.527 -23.389 507 2HB ASN 55 3HB ASN 55 24.264 -21.684 -24.918 508 1HD2 ASN 55 1HD2 ASN 55 26.201 -22.035 -22.182 509 2HD2 ASN 55 2HD2 ASN 55 27.280 -20.718 -22.472 510 H LYS 56 H LYS 56 22.678 -18.417 -22.878 511 HA LYS 56 HA LYS 56 21.478 -17.966 -25.514 512 1HB LYS 56 2HB LYS 56 20.736 -17.146 -22.955 513 2HB LYS 56 3HB LYS 56 21.406 -15.700 -23.697 514 1HG LYS 56 2HG LYS 56 19.828 -15.742 -25.446 515 2HG LYS 56 3HG LYS 56 19.323 -17.387 -25.051 516 1HD LYS 56 2HD LYS 56 17.628 -15.929 -24.243 517 2HD LYS 56 3HD LYS 56 18.530 -16.496 -22.835 518 1HE LYS 56 2HE LYS 56 19.623 -14.444 -22.568 519 2HE LYS 56 3HE LYS 56 19.227 -13.919 -24.204 520 1HZ LYS 56 1HZ LYS 56 17.573 -13.893 -21.791 521 2HZ LYS 56 2HZ LYS 56 16.797 -14.156 -23.270 522 3HZ LYS 56 3HZ LYS 56 17.697 -12.744 -23.026 523 H ASN 57 H ASN 57 22.236 -16.430 -26.932 524 HA ASN 57 HA ASN 57 24.990 -15.899 -26.949 525 1HB ASN 57 2HB ASN 57 23.218 -15.895 -28.882 526 2HB ASN 57 3HB ASN 57 23.070 -14.185 -28.486 527 1HD2 ASN 57 1HD2 ASN 57 25.704 -16.542 -28.849 528 2HD2 ASN 57 2HD2 ASN 57 26.684 -15.541 -29.862 529 H LYS 58 H LYS 58 26.189 -14.338 -26.072 530 HA LYS 58 HA LYS 58 24.801 -12.023 -24.888 531 1HB LYS 58 2HB LYS 58 27.190 -13.583 -23.921 532 2HB LYS 58 3HB LYS 58 26.823 -11.971 -23.321 533 1HG LYS 58 2HG LYS 58 24.952 -14.325 -23.166 534 2HG LYS 58 3HG LYS 58 25.999 -13.774 -21.855 535 1HD LYS 58 2HD LYS 58 24.798 -11.469 -22.354 536 2HD LYS 58 3HD LYS 58 23.538 -12.536 -22.980 537 1HE LYS 58 2HE LYS 58 24.715 -13.140 -20.314 538 2HE LYS 58 3HE LYS 58 23.593 -11.787 -20.446 539 1HZ LYS 58 1HZ LYS 58 22.319 -13.678 -19.908 540 2HZ LYS 58 2HZ LYS 58 23.077 -14.634 -21.079 541 3HZ LYS 58 3HZ LYS 58 22.034 -13.388 -21.550 542 H ALA 59 H ALA 59 25.601 -10.001 -25.257 543 HA ALA 59 HA ALA 59 27.471 -9.734 -27.452 544 1HB ALA 59 1HB ALA 59 25.778 -8.235 -27.771 545 2HB ALA 59 2HB ALA 59 25.576 -7.926 -26.045 546 3HB ALA 59 3HB ALA 59 26.930 -7.208 -26.917 547 H GLU 60 H GLU 60 29.544 -9.117 -27.320 548 HA GLU 60 HA GLU 60 30.605 -7.601 -25.153 549 1HB GLU 60 2HB GLU 60 32.209 -9.378 -24.383 550 2HB GLU 60 3HB GLU 60 30.535 -9.635 -23.914 551 1HG GLU 60 2HG GLU 60 30.250 -11.272 -25.658 552 2HG GLU 60 3HG GLU 60 31.874 -10.954 -26.264 Start of MODEL 4 1 1H GLY -2 H GLY -3 22.521 2.399 2.083 2 1HA GLY -2 2HA GLY -3 21.437 -0.228 1.303 3 2HA GLY -2 3HA GLY -3 22.359 0.091 2.764 4 H SER -1 H SER -2 19.972 2.403 1.887 5 HA SER -1 HA SER -2 18.160 1.301 3.935 6 1HB SER -1 2HB SER -2 18.441 4.245 3.350 7 2HB SER -1 3HB SER -2 17.711 3.473 4.757 8 HG SER -1 HG SER -2 19.807 4.298 5.199 9 H HIS 0 H HIS -1 18.145 0.926 1.017 10 HA HIS 0 HA HIS -1 15.494 2.084 0.463 11 1HB HIS 0 2HB HIS -1 17.852 1.749 -1.382 12 2HB HIS 0 3HB HIS -1 16.211 1.916 -1.999 13 HD1 HIS 0 1HD HIS -1 18.242 4.038 -2.731 14 HD2 HIS 0 2HD HIS -1 15.811 4.279 0.630 15 HE1 HIS 0 1HE HIS -1 18.124 6.484 -2.160 16 H MET 1 H MET 1 17.716 -0.603 -0.165 17 HA MET 1 HA MET 1 15.877 -2.265 -1.496 18 1HB MET 1 2HB MET 1 18.461 -2.719 -0.055 19 2HB MET 1 3HB MET 1 17.493 -4.103 -0.546 20 1HG MET 1 2HG MET 1 18.919 -3.855 -2.328 21 2HG MET 1 3HG MET 1 17.496 -2.969 -2.870 22 1HE MET 1 1HE MET 1 21.090 -2.901 -1.638 23 2HE MET 1 2HE MET 1 21.062 -2.778 -3.397 24 3HE MET 1 3HE MET 1 21.694 -1.445 -2.429 25 H VAL 2 H VAL 2 16.405 -1.583 1.869 26 HA VAL 2 HA VAL 2 14.725 -3.814 2.717 27 HB VAL 2 HB VAL 2 15.222 -3.010 5.021 28 1HG1 VAL 2 1HG1 VAL 2 17.612 -3.655 4.990 29 2HG1 VAL 2 2HG1 VAL 2 16.590 -4.745 4.053 30 3HG1 VAL 2 3HG1 VAL 2 17.589 -3.547 3.230 31 1HG2 VAL 2 1HG2 VAL 2 15.922 -0.654 3.728 32 2HG2 VAL 2 2HG2 VAL 2 16.157 -1.029 5.434 33 3HG2 VAL 2 3HG2 VAL 2 17.455 -1.326 4.278 34 H GLU 3 H GLU 3 13.246 -3.067 4.703 35 HA GLU 3 HA GLU 3 11.289 -2.078 5.308 36 1HB GLU 3 2HB GLU 3 12.249 0.392 3.872 37 2HB GLU 3 3HB GLU 3 11.160 0.293 5.249 38 1HG GLU 3 2HG GLU 3 13.062 -0.590 6.596 39 2HG GLU 3 3HG GLU 3 14.115 -0.261 5.221 40 H MET 4 H MET 4 11.527 -3.437 2.714 41 HA MET 4 HA MET 4 10.167 -2.147 0.659 42 1HB MET 4 2HB MET 4 10.072 -5.084 1.367 43 2HB MET 4 3HB MET 4 9.645 -4.388 -0.190 44 1HG MET 4 2HG MET 4 12.354 -3.829 0.872 45 2HG MET 4 3HG MET 4 12.017 -5.456 0.286 46 1HE MET 4 1HE MET 4 10.937 -5.802 -2.372 47 2HE MET 4 2HE MET 4 12.288 -5.264 -3.370 48 3HE MET 4 3HE MET 4 12.594 -6.123 -1.859 49 H ARG 5 H ARG 5 8.996 -3.441 3.639 50 HA ARG 5 HA ARG 5 6.323 -3.933 3.020 51 1HB ARG 5 2HB ARG 5 5.878 -3.562 5.414 52 2HB ARG 5 3HB ARG 5 7.293 -4.574 5.156 53 1HG ARG 5 2HG ARG 5 8.769 -2.867 5.778 54 2HG ARG 5 3HG ARG 5 7.531 -1.622 5.614 55 1HD ARG 5 2HD ARG 5 7.412 -1.819 7.856 56 2HD ARG 5 3HD ARG 5 6.379 -3.195 7.471 57 HE ARG 5 HE ARG 5 8.850 -4.286 7.532 58 1HH1 ARG 5 2HH1 ARG 5 7.076 -2.276 9.754 59 2HH1 ARG 5 1HH1 ARG 5 7.840 -2.934 11.162 60 1HH2 ARG 5 2HH2 ARG 5 9.863 -5.160 9.379 61 2HH2 ARG 5 1HH2 ARG 5 9.426 -4.574 10.948 62 H MET 6 H MET 6 8.041 -0.953 3.322 63 HA MET 6 HA MET 6 5.775 0.719 3.792 64 1HB MET 6 2HB MET 6 7.247 2.541 3.555 65 2HB MET 6 3HB MET 6 8.223 1.266 4.270 66 1HG MET 6 2HG MET 6 8.822 0.746 1.777 67 2HG MET 6 3HG MET 6 8.315 2.415 1.528 68 1HE MET 6 1HE MET 6 9.307 3.389 4.671 69 2HE MET 6 2HE MET 6 10.725 4.257 4.081 70 3HE MET 6 3HE MET 6 9.201 4.352 3.198 71 H LYS 7 H LYS 7 5.867 2.728 1.991 72 HA LYS 7 HA LYS 7 5.384 1.478 -0.626 73 1HB LYS 7 2HB LYS 7 3.417 3.089 -0.843 74 2HB LYS 7 3HB LYS 7 3.194 1.701 0.214 75 1HG LYS 7 2HG LYS 7 4.230 3.791 1.801 76 2HG LYS 7 3HG LYS 7 2.935 4.471 0.813 77 1HD LYS 7 2HD LYS 7 2.718 2.007 2.542 78 2HD LYS 7 3HD LYS 7 2.096 3.607 2.952 79 1HE LYS 7 2HE LYS 7 0.691 3.504 0.892 80 2HE LYS 7 3HE LYS 7 1.225 1.838 0.671 81 1HZ LYS 7 1HZ LYS 7 -0.815 2.845 2.358 82 2HZ LYS 7 2HZ LYS 7 0.336 2.014 3.277 83 3HZ LYS 7 3HZ LYS 7 -0.435 1.239 1.987 84 H LYS 8 H LYS 8 4.885 3.405 -2.259 85 HA LYS 8 HA LYS 8 6.614 5.696 -1.724 86 1HB LYS 8 2HB LYS 8 8.013 3.911 -2.786 87 2HB LYS 8 3HB LYS 8 6.955 3.981 -4.190 88 1HG LYS 8 2HG LYS 8 7.551 6.396 -4.418 89 2HG LYS 8 3HG LYS 8 8.748 6.157 -3.143 90 1HD LYS 8 2HD LYS 8 9.930 5.934 -5.171 91 2HD LYS 8 3HD LYS 8 9.691 4.288 -4.581 92 1HE LYS 8 2HE LYS 8 7.602 4.259 -6.055 93 2HE LYS 8 3HE LYS 8 8.262 5.710 -6.808 94 1HZ LYS 8 1HZ LYS 8 9.792 3.183 -6.592 95 2HZ LYS 8 2HZ LYS 8 10.140 4.530 -7.555 96 3HZ LYS 8 3HZ LYS 8 8.813 3.548 -7.924 97 H CYS 9 H CYS 9 6.185 7.508 -3.018 98 HA CYS 9 HA CYS 9 3.492 7.694 -3.946 99 1HB CYS 9 2HB CYS 9 4.691 9.573 -2.853 100 2HB CYS 9 3HB CYS 9 5.751 9.683 -4.253 101 HA PRO 10 HA PRO 10 4.433 6.243 -8.065 102 1HB PRO 10 2HB PRO 10 1.883 6.401 -8.981 103 2HB PRO 10 3HB PRO 10 2.453 5.084 -7.949 104 1HG PRO 10 2HG PRO 10 0.908 7.538 -7.207 105 2HG PRO 10 3HG PRO 10 0.679 5.866 -6.665 106 1HD PRO 10 2HD PRO 10 1.950 7.723 -5.160 107 2HD PRO 10 3HD PRO 10 2.380 6.001 -5.116 108 H LYS 11 H LYS 11 3.469 9.298 -7.029 109 HA LYS 11 HA LYS 11 3.278 10.413 -9.722 110 1HB LYS 11 2HB LYS 11 2.289 11.155 -7.113 111 2HB LYS 11 3HB LYS 11 3.179 12.491 -7.833 112 1HG LYS 11 2HG LYS 11 0.814 12.625 -8.363 113 2HG LYS 11 3HG LYS 11 1.773 12.368 -9.821 114 1HD LYS 11 2HD LYS 11 0.947 10.273 -10.158 115 2HD LYS 11 3HD LYS 11 0.743 9.958 -8.433 116 1HE LYS 11 2HE LYS 11 -1.110 11.793 -8.623 117 2HE LYS 11 3HE LYS 11 -1.068 11.379 -10.336 118 1HZ LYS 11 1HZ LYS 11 -1.416 9.029 -9.650 119 2HZ LYS 11 2HZ LYS 11 -2.720 10.049 -9.303 120 3HZ LYS 11 3HZ LYS 11 -1.671 9.567 -8.066 121 H CYS 12 H CYS 12 5.232 10.752 -6.778 122 HA CYS 12 HA CYS 12 7.247 12.205 -8.350 123 1HB CYS 12 2HB CYS 12 7.213 11.977 -5.347 124 2HB CYS 12 3HB CYS 12 8.036 13.172 -6.343 125 H GLY 13 H GLY 13 7.072 9.785 -5.729 126 1HA GLY 13 2HA GLY 13 8.174 7.613 -6.209 127 2HA GLY 13 3HA GLY 13 9.500 8.551 -6.881 128 H LEU 14 H LEU 14 7.829 9.529 -3.977 129 HA LEU 14 HA LEU 14 10.322 9.218 -2.491 130 1HB LEU 14 2HB LEU 14 9.532 11.342 -2.126 131 2HB LEU 14 3HB LEU 14 7.845 10.834 -2.158 132 HG LEU 14 HG LEU 14 8.131 9.847 0.087 133 1HD1 LEU 14 1HD1 LEU 14 10.699 9.651 -0.323 134 2HD1 LEU 14 2HD1 LEU 14 10.080 9.944 1.301 135 3HD1 LEU 14 3HD1 LEU 14 10.733 11.279 0.353 136 1HD2 LEU 14 1HD2 LEU 14 9.021 12.719 0.095 137 2HD2 LEU 14 2HD2 LEU 14 8.004 11.884 1.269 138 3HD2 LEU 14 3HD2 LEU 14 7.385 12.231 -0.346 139 H TYR 15 H TYR 15 10.613 7.792 -0.881 140 HA TYR 15 HA TYR 15 8.564 5.795 -0.443 141 1HB TYR 15 2HB TYR 15 11.458 6.068 0.269 142 2HB TYR 15 3HB TYR 15 10.464 4.917 1.155 143 HD1 TYR 15 1HD TYR 15 9.525 2.959 0.033 144 HD2 TYR 15 2HD TYR 15 12.024 5.701 -2.051 145 HE1 TYR 15 1HE TYR 15 9.822 1.311 -1.768 146 HE2 TYR 15 2HE TYR 15 12.326 4.061 -3.859 147 HH TYR 15 HH TYR 15 12.159 1.330 -3.910 148 H THR 16 H THR 16 7.555 5.331 1.491 149 HA THR 16 HA THR 16 8.132 6.561 3.960 150 HB THR 16 HB THR 16 7.286 8.581 2.789 151 HG1 THR 16 1HG THR 16 6.508 9.144 4.672 152 1HG2 THR 16 1HG2 THR 16 4.486 7.771 2.886 153 2HG2 THR 16 2HG2 THR 16 5.424 6.870 1.696 154 3HG2 THR 16 3HG2 THR 16 5.371 8.631 1.626 155 H LEU 17 H LEU 17 6.112 6.382 5.473 156 HA LEU 17 HA LEU 17 4.626 3.939 4.766 157 1HB LEU 17 2HB LEU 17 5.920 4.667 7.385 158 2HB LEU 17 3HB LEU 17 4.739 3.371 7.213 159 HG LEU 17 HG LEU 17 7.086 3.231 5.425 160 1HD1 LEU 17 1HD1 LEU 17 7.329 3.405 8.344 161 2HD1 LEU 17 2HD1 LEU 17 8.545 3.620 7.083 162 3HD1 LEU 17 3HD1 LEU 17 8.102 1.997 7.614 163 1HD2 LEU 17 1HD2 LEU 17 6.871 0.886 5.840 164 2HD2 LEU 17 2HD2 LEU 17 5.257 1.539 5.551 165 3HD2 LEU 17 3HD2 LEU 17 5.780 1.173 7.196 166 H LYS 18 H LYS 18 4.311 7.111 5.276 167 HA LYS 18 HA LYS 18 2.067 7.145 7.077 168 1HB LYS 18 2HB LYS 18 2.967 9.325 5.189 169 2HB LYS 18 3HB LYS 18 1.952 9.506 6.614 170 1HG LYS 18 2HG LYS 18 4.867 8.755 6.564 171 2HG LYS 18 3HG LYS 18 4.172 10.288 7.097 172 1HD LYS 18 2HD LYS 18 3.684 7.596 8.373 173 2HD LYS 18 3HD LYS 18 4.766 8.847 8.992 174 1HE LYS 18 2HE LYS 18 1.794 9.166 8.583 175 2HE LYS 18 3HE LYS 18 2.572 8.822 10.127 176 1HZ LYS 18 1HZ LYS 18 2.193 11.311 8.863 177 2HZ LYS 18 2HZ LYS 18 3.852 11.037 9.046 178 3HZ LYS 18 3HZ LYS 18 2.833 10.989 10.396 179 H GLU 19 H GLU 19 2.384 6.056 4.007 180 HA GLU 19 HA GLU 19 0.902 5.485 2.377 181 1HB GLU 19 2HB GLU 19 -1.251 6.447 4.265 182 2HB GLU 19 3HB GLU 19 -1.444 5.343 2.911 183 1HG GLU 19 2HG GLU 19 0.393 4.000 4.327 184 2HG GLU 19 3HG GLU 19 -0.433 4.849 5.632 185 H ILE 20 H ILE 20 1.674 8.461 3.173 186 HA ILE 20 HA ILE 20 0.241 9.614 0.902 187 HB ILE 20 HB ILE 20 0.368 10.962 3.602 188 1HG1 ILE 20 2HG1 ILE 20 -1.330 9.129 3.364 189 2HG1 ILE 20 3HG1 ILE 20 -2.021 10.716 3.683 190 1HG2 ILE 20 1HG2 ILE 20 -1.157 12.620 2.372 191 2HG2 ILE 20 2HG2 ILE 20 0.574 12.681 2.041 192 3HG2 ILE 20 3HG2 ILE 20 -0.516 11.899 0.896 193 1HD1 ILE 20 1HD1 ILE 20 -2.625 8.938 1.591 194 2HD1 ILE 20 2HD1 ILE 20 -3.272 10.555 1.873 195 3HD1 ILE 20 3HD1 ILE 20 -1.838 10.340 0.868 196 H CYS 21 H CYS 21 1.348 11.244 -0.165 197 HA CYS 21 HA CYS 21 4.195 11.338 0.381 198 1HB CYS 21 2HB CYS 21 3.436 11.004 -1.923 199 2HB CYS 21 3HB CYS 21 2.571 12.535 -1.873 200 HA PRO 22 HA PRO 22 3.579 15.130 2.691 201 1HB PRO 22 2HB PRO 22 6.160 15.330 3.511 202 2HB PRO 22 3HB PRO 22 4.992 14.241 4.269 203 1HG PRO 22 2HG PRO 22 7.101 13.637 2.231 204 2HG PRO 22 3HG PRO 22 6.645 12.716 3.676 205 1HD PRO 22 2HD PRO 22 5.810 12.037 1.191 206 2HD PRO 22 3HD PRO 22 4.825 11.751 2.640 207 H LYS 23 H LYS 23 5.304 14.533 -0.140 208 HA LYS 23 HA LYS 23 6.528 17.148 -0.352 209 1HB LYS 23 2HB LYS 23 6.958 14.657 -1.550 210 2HB LYS 23 3HB LYS 23 6.352 15.679 -2.845 211 1HG LYS 23 2HG LYS 23 8.769 15.740 -2.768 212 2HG LYS 23 3HG LYS 23 8.099 17.322 -2.365 213 1HD LYS 23 2HD LYS 23 8.866 17.250 -0.240 214 2HD LYS 23 3HD LYS 23 8.573 15.516 -0.084 215 1HE LYS 23 2HE LYS 23 10.860 15.541 -0.065 216 2HE LYS 23 3HE LYS 23 10.569 15.369 -1.795 217 1HZ LYS 23 1HZ LYS 23 11.937 17.417 -0.456 218 2HZ LYS 23 2HZ LYS 23 10.571 18.094 -1.189 219 3HZ LYS 23 3HZ LYS 23 11.690 17.233 -2.120 220 H CYS 24 H CYS 24 4.142 15.386 -2.342 221 HA CYS 24 HA CYS 24 3.065 17.966 -3.221 222 1HB CYS 24 2HB CYS 24 1.963 16.698 -5.004 223 2HB CYS 24 3HB CYS 24 3.693 16.375 -4.981 224 H GLY 25 H GLY 25 2.162 14.973 -1.608 225 1HA GLY 25 2HA GLY 25 0.508 15.021 0.141 226 2HA GLY 25 3HA GLY 25 -0.323 16.294 -0.739 227 H GLU 26 H GLU 26 0.919 13.441 -2.327 228 HA GLU 26 HA GLU 26 -1.856 12.606 -2.839 229 1HB GLU 26 2HB GLU 26 -0.784 13.217 -4.885 230 2HB GLU 26 3HB GLU 26 0.653 12.290 -4.482 231 1HG GLU 26 2HG GLU 26 -0.846 11.263 -6.200 232 2HG GLU 26 3HG GLU 26 -0.457 10.234 -4.822 233 H LYS 27 H LYS 27 -2.489 10.535 -2.463 234 HA LYS 27 HA LYS 27 -1.293 9.021 -0.498 235 1HB LYS 27 2HB LYS 27 -3.571 8.601 -1.041 236 2HB LYS 27 3HB LYS 27 -3.177 8.226 -2.713 237 1HG LYS 27 2HG LYS 27 -2.549 6.105 -2.238 238 2HG LYS 27 3HG LYS 27 -1.933 6.527 -0.638 239 1HD LYS 27 2HD LYS 27 -4.711 6.992 -0.581 240 2HD LYS 27 3HD LYS 27 -4.479 5.429 -1.369 241 1HE LYS 27 2HE LYS 27 -2.820 5.021 0.617 242 2HE LYS 27 3HE LYS 27 -3.759 6.293 1.397 243 1HZ LYS 27 1HZ LYS 27 -5.046 3.929 0.171 244 2HZ LYS 27 2HZ LYS 27 -5.699 5.017 1.290 245 3HZ LYS 27 3HZ LYS 27 -4.506 3.921 1.775 246 H THR 28 H THR 28 0.131 7.337 -0.415 247 HA THR 28 HA THR 28 1.826 6.985 -2.762 248 HB THR 28 HB THR 28 3.114 5.515 -0.969 249 HG1 THR 28 1HG THR 28 1.216 6.035 0.520 250 1HG2 THR 28 1HG2 THR 28 3.525 8.260 -0.185 251 2HG2 THR 28 2HG2 THR 28 3.314 8.136 -1.931 252 3HG2 THR 28 3HG2 THR 28 4.571 7.197 -1.126 253 H VAL 29 H VAL 29 2.551 4.839 -3.396 254 HA VAL 29 HA VAL 29 0.685 2.674 -2.722 255 HB VAL 29 HB VAL 29 0.436 2.012 -5.020 256 1HG1 VAL 29 1HG1 VAL 29 -1.016 3.689 -5.766 257 2HG1 VAL 29 2HG1 VAL 29 -0.987 3.884 -4.013 258 3HG1 VAL 29 3HG1 VAL 29 -0.051 4.973 -5.037 259 1HG2 VAL 29 1HG2 VAL 29 1.380 3.990 -6.642 260 2HG2 VAL 29 2HG2 VAL 29 2.649 3.889 -5.423 261 3HG2 VAL 29 3HG2 VAL 29 2.196 2.455 -6.343 262 H ILE 30 H ILE 30 1.493 0.529 -3.310 263 HA ILE 30 HA ILE 30 4.167 0.155 -2.496 264 HB ILE 30 HB ILE 30 2.413 -1.839 -3.930 265 1HG1 ILE 30 2HG1 ILE 30 1.255 -0.932 -1.976 266 2HG1 ILE 30 3HG1 ILE 30 1.753 -2.594 -1.678 267 1HG2 ILE 30 1HG2 ILE 30 3.921 -3.249 -2.177 268 2HG2 ILE 30 2HG2 ILE 30 4.337 -2.998 -3.871 269 3HG2 ILE 30 3HG2 ILE 30 5.043 -1.965 -2.629 270 1HD1 ILE 30 1HD1 ILE 30 3.055 -0.094 -0.635 271 2HD1 ILE 30 2HD1 ILE 30 2.161 -1.303 0.286 272 3HD1 ILE 30 3HD1 ILE 30 3.714 -1.718 -0.438 273 HA PRO 31 HA PRO 31 6.007 1.012 -6.492 274 1HB PRO 31 2HB PRO 31 8.571 0.825 -5.619 275 2HB PRO 31 3HB PRO 31 7.568 2.256 -5.352 276 1HG PRO 31 2HG PRO 31 8.189 0.002 -3.482 277 2HG PRO 31 3HG PRO 31 8.138 1.744 -3.156 278 1HD PRO 31 2HD PRO 31 6.106 0.078 -2.502 279 2HD PRO 31 3HD PRO 31 5.840 1.768 -2.974 280 H LYS 32 H LYS 32 6.081 -1.805 -4.590 281 HA LYS 32 HA LYS 32 7.486 -3.288 -6.714 282 1HB LYS 32 2HB LYS 32 7.750 -5.066 -4.913 283 2HB LYS 32 3HB LYS 32 8.696 -3.598 -4.709 284 1HG LYS 32 2HG LYS 32 7.090 -2.764 -3.087 285 2HG LYS 32 3HG LYS 32 6.097 -4.206 -3.315 286 1HD LYS 32 2HD LYS 32 8.483 -5.336 -2.737 287 2HD LYS 32 3HD LYS 32 8.602 -3.842 -1.804 288 1HE LYS 32 2HE LYS 32 6.953 -4.448 -0.371 289 2HE LYS 32 3HE LYS 32 6.049 -5.319 -1.609 290 1HZ LYS 32 1HZ LYS 32 8.527 -6.598 -1.058 291 2HZ LYS 32 2HZ LYS 32 6.958 -7.223 -0.973 292 3HZ LYS 32 3HZ LYS 32 7.620 -6.418 0.359 293 HA PRO 33 HA PRO 33 3.023 -4.520 -6.947 294 1HB PRO 33 2HB PRO 33 2.926 -4.508 -9.659 295 2HB PRO 33 3HB PRO 33 2.649 -3.061 -8.682 296 1HG PRO 33 2HG PRO 33 5.127 -3.930 -10.119 297 2HG PRO 33 3HG PRO 33 4.398 -2.316 -10.021 298 1HD PRO 33 2HD PRO 33 6.517 -3.051 -8.505 299 2HD PRO 33 3HD PRO 33 5.290 -1.902 -7.936 300 HA PRO 34 HA PRO 34 3.686 -8.781 -7.802 301 1HB PRO 34 2HB PRO 34 1.395 -9.505 -9.065 302 2HB PRO 34 3HB PRO 34 1.463 -9.132 -7.339 303 1HG PRO 34 2HG PRO 34 0.580 -7.401 -9.616 304 2HG PRO 34 3HG PRO 34 -0.159 -7.610 -8.018 305 1HD PRO 34 2HD PRO 34 1.400 -5.484 -8.636 306 2HD PRO 34 3HD PRO 34 1.332 -6.175 -7.002 307 H LYS 35 H LYS 35 3.150 -10.455 -9.744 308 HA LYS 35 HA LYS 35 4.859 -9.630 -11.883 309 1HB LYS 35 2HB LYS 35 3.202 -12.137 -11.544 310 2HB LYS 35 3HB LYS 35 4.419 -11.893 -12.791 311 1HG LYS 35 2HG LYS 35 4.970 -11.849 -9.831 312 2HG LYS 35 3HG LYS 35 5.217 -13.244 -10.886 313 1HD LYS 35 2HD LYS 35 6.698 -11.690 -12.282 314 2HD LYS 35 3HD LYS 35 6.660 -10.608 -10.888 315 1HE LYS 35 2HE LYS 35 7.320 -12.832 -9.611 316 2HE LYS 35 3HE LYS 35 7.942 -13.272 -11.201 317 1HZ LYS 35 1HZ LYS 35 9.207 -11.733 -9.313 318 2HZ LYS 35 2HZ LYS 35 8.701 -10.625 -10.487 319 3HZ LYS 35 3HZ LYS 35 9.675 -11.937 -10.927 320 H PHE 36 H PHE 36 4.116 -10.269 -14.210 321 HA PHE 36 HA PHE 36 2.901 -9.616 -16.021 322 1HB PHE 36 2HB PHE 36 1.416 -11.397 -14.912 323 2HB PHE 36 3HB PHE 36 0.437 -10.048 -14.345 324 HD1 PHE 36 1HD PHE 36 -1.349 -9.401 -15.630 325 HD2 PHE 36 2HD PHE 36 1.956 -11.318 -17.506 326 HE1 PHE 36 1HE PHE 36 -2.554 -9.372 -17.775 327 HE2 PHE 36 2HE PHE 36 0.757 -11.292 -19.654 328 HZ PHE 36 HZ PHE 36 -1.501 -10.318 -19.791 329 H SER 37 H SER 37 3.818 -7.500 -14.508 330 HA SER 37 HA SER 37 1.611 -5.623 -14.201 331 1HB SER 37 2HB SER 37 4.473 -5.690 -13.380 332 2HB SER 37 3HB SER 37 3.740 -4.107 -13.638 333 HG SER 37 HG SER 37 2.533 -4.375 -11.918 334 H LEU 38 H LEU 38 1.475 -3.648 -15.320 335 HA LEU 38 HA LEU 38 2.210 -3.798 -18.068 336 1HB LEU 38 2HB LEU 38 0.162 -2.678 -17.014 337 2HB LEU 38 3HB LEU 38 1.238 -1.326 -16.672 338 HG LEU 38 HG LEU 38 1.673 -1.114 -19.102 339 1HD1 LEU 38 1HD1 LEU 38 1.267 -3.305 -19.905 340 2HD1 LEU 38 2HD1 LEU 38 0.029 -2.269 -20.616 341 3HD1 LEU 38 3HD1 LEU 38 -0.372 -3.314 -19.253 342 1HD2 LEU 38 1HD2 LEU 38 -1.278 -1.001 -18.864 343 2HD2 LEU 38 2HD2 LEU 38 -0.135 0.223 -19.418 344 3HD2 LEU 38 3HD2 LEU 38 -0.334 -0.081 -17.692 345 H GLU 39 H GLU 39 3.597 -2.320 -15.251 346 HA GLU 39 HA GLU 39 5.169 -0.329 -16.398 347 1HB GLU 39 2HB GLU 39 5.595 -2.072 -13.978 348 2HB GLU 39 3HB GLU 39 6.727 -0.804 -14.425 349 1HG GLU 39 2HG GLU 39 4.683 0.747 -14.403 350 2HG GLU 39 3HG GLU 39 3.890 -0.551 -13.512 351 H ASP 40 H ASP 40 5.513 -3.773 -16.464 352 HA ASP 40 HA ASP 40 8.212 -4.119 -16.933 353 1HB ASP 40 2HB ASP 40 5.860 -5.588 -18.136 354 2HB ASP 40 3HB ASP 40 7.531 -6.128 -18.278 355 H ARG 41 H ARG 41 9.578 -3.820 -18.611 356 HA ARG 41 HA ARG 41 8.967 -1.943 -20.600 357 1HB ARG 41 2HB ARG 41 11.217 -3.957 -20.445 358 2HB ARG 41 3HB ARG 41 11.140 -2.647 -21.617 359 1HG ARG 41 2HG ARG 41 10.917 -1.137 -19.512 360 2HG ARG 41 3HG ARG 41 11.604 -2.529 -18.674 361 1HD ARG 41 2HD ARG 41 13.500 -1.344 -19.226 362 2HD ARG 41 3HD ARG 41 13.372 -2.456 -20.587 363 HE ARG 41 HE ARG 41 11.990 -0.168 -21.303 364 1HH1 ARG 41 2HH1 ARG 41 15.253 -1.039 -20.454 365 2HH1 ARG 41 1HH1 ARG 41 15.974 0.200 -21.428 366 1HH2 ARG 41 2HH2 ARG 41 12.928 1.467 -22.586 367 2HH2 ARG 41 1HH2 ARG 41 14.652 1.625 -22.639 368 H TRP 42 H TRP 42 9.849 -5.354 -21.167 369 HA TRP 42 HA TRP 42 8.361 -5.280 -23.677 370 1HB TRP 42 2HB TRP 42 10.223 -7.364 -22.518 371 2HB TRP 42 3HB TRP 42 9.434 -7.490 -24.089 372 HD1 TRP 42 1HD TRP 42 9.944 -4.422 -24.984 373 HE1 TRP 42 1HE TRP 42 12.320 -3.736 -25.696 374 HE3 TRP 42 3HE TRP 42 12.583 -8.166 -22.714 375 HZ2 TRP 42 2HZ TRP 42 14.964 -4.660 -25.342 376 HZ3 TRP 42 3HZ TRP 42 15.032 -8.192 -22.950 377 HH2 TRP 42 2HH TRP 42 16.196 -6.475 -24.238 378 H GLY 43 H GLY 43 8.135 -6.551 -20.472 379 1HA GLY 43 2HA GLY 43 6.429 -7.664 -19.409 380 2HA GLY 43 3HA GLY 43 5.437 -7.337 -20.822 381 H LYS 44 H LYS 44 5.357 -8.852 -22.513 382 HA LYS 44 HA LYS 44 5.273 -11.515 -21.796 383 1HB LYS 44 2HB LYS 44 5.273 -11.994 -24.249 384 2HB LYS 44 3HB LYS 44 4.124 -10.755 -23.762 385 1HG LYS 44 2HG LYS 44 5.633 -9.018 -24.538 386 2HG LYS 44 3HG LYS 44 6.829 -10.238 -24.981 387 1HD LYS 44 2HD LYS 44 4.075 -10.437 -26.108 388 2HD LYS 44 3HD LYS 44 5.189 -9.242 -26.777 389 1HE LYS 44 2HE LYS 44 6.853 -11.156 -26.995 390 2HE LYS 44 3HE LYS 44 5.495 -12.232 -26.675 391 1HZ LYS 44 1HZ LYS 44 6.216 -11.369 -29.113 392 2HZ LYS 44 2HZ LYS 44 5.001 -10.259 -28.724 393 3HZ LYS 44 3HZ LYS 44 4.666 -11.916 -28.714 394 H TYR 45 H TYR 45 7.967 -9.642 -23.005 395 HA TYR 45 HA TYR 45 9.645 -11.969 -23.384 396 1HB TYR 45 2HB TYR 45 9.669 -9.606 -24.613 397 2HB TYR 45 3HB TYR 45 10.789 -9.219 -23.311 398 HD1 TYR 45 1HD TYR 45 12.966 -10.293 -23.181 399 HD2 TYR 45 2HD TYR 45 10.258 -11.219 -26.329 400 HE1 TYR 45 1HE TYR 45 14.793 -11.369 -24.429 401 HE2 TYR 45 2HE TYR 45 12.076 -12.299 -27.584 402 HH TYR 45 HH TYR 45 14.438 -13.453 -26.776 403 H ARG 46 H ARG 46 9.115 -9.487 -20.977 404 HA ARG 46 HA ARG 46 11.442 -9.818 -19.456 405 1HB ARG 46 2HB ARG 46 9.899 -7.945 -19.131 406 2HB ARG 46 3HB ARG 46 8.664 -9.050 -18.542 407 1HG ARG 46 2HG ARG 46 9.684 -9.335 -16.518 408 2HG ARG 46 3HG ARG 46 11.294 -9.001 -17.158 409 1HD ARG 46 2HD ARG 46 10.654 -6.625 -17.413 410 2HD ARG 46 3HD ARG 46 9.098 -6.993 -16.669 411 HE ARG 46 HE ARG 46 11.018 -7.874 -14.898 412 1HH1 ARG 46 2HH1 ARG 46 10.107 -4.850 -16.362 413 2HH1 ARG 46 1HH1 ARG 46 10.642 -3.890 -15.023 414 1HH2 ARG 46 2HH2 ARG 46 11.726 -6.621 -13.127 415 2HH2 ARG 46 1HH2 ARG 46 11.564 -4.898 -13.184 416 H ARG 47 H ARG 47 8.586 -11.762 -19.728 417 HA ARG 47 HA ARG 47 8.555 -13.149 -17.342 418 1HB ARG 47 2HB ARG 47 7.165 -13.330 -19.656 419 2HB ARG 47 3HB ARG 47 8.146 -14.785 -19.770 420 1HG ARG 47 2HG ARG 47 6.374 -15.656 -18.669 421 2HG ARG 47 3HG ARG 47 7.290 -15.085 -17.272 422 1HD ARG 47 2HD ARG 47 5.970 -13.072 -17.173 423 2HD ARG 47 3HD ARG 47 5.134 -13.503 -18.664 424 HE ARG 47 HE ARG 47 3.767 -14.885 -17.456 425 1HH1 ARG 47 2HH1 ARG 47 6.553 -14.069 -15.533 426 2HH1 ARG 47 1HH1 ARG 47 5.932 -14.799 -14.089 427 1HH2 ARG 47 2HH2 ARG 47 2.940 -15.849 -15.563 428 2HH2 ARG 47 1HH2 ARG 47 3.877 -15.812 -14.107 429 H MET 48 H MET 48 10.618 -13.640 -20.161 430 HA MET 48 HA MET 48 12.024 -15.797 -18.756 431 1HB MET 48 2HB MET 48 11.885 -14.958 -21.637 432 2HB MET 48 3HB MET 48 13.191 -15.987 -21.061 433 1HG MET 48 2HG MET 48 10.293 -16.662 -20.663 434 2HG MET 48 3HG MET 48 11.207 -17.152 -22.087 435 1HE MET 48 1HE MET 48 9.680 -19.189 -20.116 436 2HE MET 48 2HE MET 48 10.628 -19.793 -18.758 437 3HE MET 48 3HE MET 48 9.996 -18.147 -18.729 438 H LEU 49 H LEU 49 12.430 -12.576 -20.053 439 HA LEU 49 HA LEU 49 15.225 -12.398 -19.970 440 1HB LEU 49 2HB LEU 49 13.266 -10.757 -20.778 441 2HB LEU 49 3HB LEU 49 13.658 -9.999 -19.236 442 HG LEU 49 HG LEU 49 14.831 -8.935 -21.098 443 1HD1 LEU 49 1HD1 LEU 49 15.846 -9.516 -18.694 444 2HD1 LEU 49 2HD1 LEU 49 16.731 -8.605 -19.917 445 3HD1 LEU 49 3HD1 LEU 49 17.037 -10.329 -19.711 446 1HD2 LEU 49 1HD2 LEU 49 16.411 -11.459 -21.463 447 2HD2 LEU 49 2HD2 LEU 49 16.332 -10.037 -22.506 448 3HD2 LEU 49 3HD2 LEU 49 14.956 -11.138 -22.408 449 H LYS 50 H LYS 50 12.844 -12.308 -17.455 450 HA LYS 50 HA LYS 50 14.245 -10.966 -15.446 451 1HB LYS 50 2HB LYS 50 12.811 -12.238 -13.867 452 2HB LYS 50 3HB LYS 50 11.904 -11.501 -15.183 453 1HG LYS 50 2HG LYS 50 10.946 -13.555 -15.187 454 2HG LYS 50 3HG LYS 50 12.287 -13.874 -16.288 455 1HD LYS 50 2HD LYS 50 13.528 -14.981 -14.631 456 2HD LYS 50 3HD LYS 50 12.534 -14.325 -13.329 457 1HE LYS 50 2HE LYS 50 11.572 -16.273 -15.421 458 2HE LYS 50 3HE LYS 50 12.093 -16.719 -13.796 459 1HZ LYS 50 1HZ LYS 50 10.307 -14.936 -13.142 460 2HZ LYS 50 2HZ LYS 50 9.861 -16.533 -13.476 461 3HZ LYS 50 3HZ LYS 50 9.659 -15.335 -14.653 462 H ARG 51 H ARG 51 15.189 -11.962 -13.470 463 HA ARG 51 HA ARG 51 16.693 -14.415 -14.095 464 1HB ARG 51 2HB ARG 51 18.557 -13.338 -12.693 465 2HB ARG 51 3HB ARG 51 18.326 -12.754 -14.335 466 1HG ARG 51 2HG ARG 51 17.075 -10.837 -13.479 467 2HG ARG 51 3HG ARG 51 17.313 -11.424 -11.831 468 1HD ARG 51 2HD ARG 51 19.567 -10.926 -11.837 469 2HD ARG 51 3HD ARG 51 19.681 -10.995 -13.595 470 HE ARG 51 HE ARG 51 18.022 -8.850 -12.708 471 1HH1 ARG 51 2HH1 ARG 51 21.329 -9.833 -13.178 472 2HH1 ARG 51 1HH1 ARG 51 21.919 -8.216 -13.373 473 1HH2 ARG 51 2HH2 ARG 51 18.788 -6.716 -12.964 474 2HH2 ARG 51 1HH2 ARG 51 20.473 -6.444 -13.250 475 H ALA 52 H ALA 52 16.588 -15.957 -12.591 476 HA ALA 52 HA ALA 52 15.454 -15.245 -9.968 477 1HB ALA 52 1HB ALA 52 14.371 -16.953 -11.706 478 2HB ALA 52 2HB ALA 52 15.449 -18.067 -10.862 479 3HB ALA 52 3HB ALA 52 14.236 -17.158 -9.959 480 H LEU 53 H LEU 53 18.059 -16.883 -11.616 481 HA LEU 53 HA LEU 53 19.168 -18.348 -9.532 482 1HB LEU 53 2HB LEU 53 19.852 -17.741 -12.139 483 2HB LEU 53 3HB LEU 53 21.170 -17.051 -11.194 484 HG LEU 53 HG LEU 53 21.672 -19.319 -11.987 485 1HD1 LEU 53 1HD1 LEU 53 22.659 -20.047 -10.022 486 2HD1 LEU 53 2HD1 LEU 53 21.315 -19.498 -9.021 487 3HD1 LEU 53 3HD1 LEU 53 22.428 -18.323 -9.725 488 1HD2 LEU 53 1HD2 LEU 53 20.465 -21.228 -11.246 489 2HD2 LEU 53 2HD2 LEU 53 19.285 -20.097 -11.909 490 3HD2 LEU 53 3HD2 LEU 53 19.468 -20.258 -10.162 491 H LYS 54 H LYS 54 19.964 -17.763 -7.634 492 HA LYS 54 HA LYS 54 20.972 -15.013 -7.316 493 1HB LYS 54 2HB LYS 54 19.648 -16.841 -5.307 494 2HB LYS 54 3HB LYS 54 20.410 -15.313 -4.887 495 1HG LYS 54 2HG LYS 54 18.811 -14.309 -6.659 496 2HG LYS 54 3HG LYS 54 17.910 -15.811 -6.443 497 1HD LYS 54 2HD LYS 54 18.723 -14.061 -4.133 498 2HD LYS 54 3HD LYS 54 17.203 -13.841 -5.002 499 1HE LYS 54 2HE LYS 54 18.040 -16.450 -3.750 500 2HE LYS 54 3HE LYS 54 17.070 -15.240 -2.913 501 1HZ LYS 54 1HZ LYS 54 16.040 -17.223 -4.362 502 2HZ LYS 54 2HZ LYS 54 16.112 -16.010 -5.539 503 3HZ LYS 54 3HZ LYS 54 15.252 -15.748 -4.106 504 H ASN 55 H ASN 55 23.037 -14.752 -6.751 505 HA ASN 55 HA ASN 55 24.759 -17.018 -6.503 506 1HB ASN 55 2HB ASN 55 25.211 -14.044 -6.281 507 2HB ASN 55 3HB ASN 55 26.505 -15.211 -6.031 508 1HD2 ASN 55 1HD2 ASN 55 26.469 -13.234 -8.033 509 2HD2 ASN 55 2HD2 ASN 55 26.436 -14.027 -9.567 510 H LYS 56 H LYS 56 26.383 -17.161 -4.697 511 HA LYS 56 HA LYS 56 25.105 -17.649 -2.267 512 1HB LYS 56 2HB LYS 56 27.824 -17.744 -3.299 513 2HB LYS 56 3HB LYS 56 27.778 -17.267 -1.607 514 1HG LYS 56 2HG LYS 56 26.780 -19.270 -0.947 515 2HG LYS 56 3HG LYS 56 26.280 -19.668 -2.592 516 1HD LYS 56 2HD LYS 56 28.090 -21.053 -2.383 517 2HD LYS 56 3HD LYS 56 28.883 -19.613 -3.026 518 1HE LYS 56 2HE LYS 56 28.603 -19.982 -0.072 519 2HE LYS 56 3HE LYS 56 29.880 -20.823 -0.950 520 1HZ LYS 56 1HZ LYS 56 30.951 -18.905 -0.418 521 2HZ LYS 56 2HZ LYS 56 29.549 -17.960 -0.442 522 3HZ LYS 56 3HZ LYS 56 30.280 -18.423 -1.896 523 H ASN 57 H ASN 57 26.030 -16.664 -0.133 524 HA ASN 57 HA ASN 57 25.167 -13.963 -0.040 525 1HB ASN 57 2HB ASN 57 26.563 -15.686 2.015 526 2HB ASN 57 3HB ASN 57 25.934 -14.075 2.348 527 1HD2 ASN 57 1HD2 ASN 57 25.240 -17.369 2.181 528 2HD2 ASN 57 2HD2 ASN 57 23.530 -17.273 2.409 529 H LYS 58 H LYS 58 26.275 -12.208 -0.556 530 HA LYS 58 HA LYS 58 29.208 -12.339 -0.599 531 1HB LYS 58 2HB LYS 58 27.742 -11.641 -2.636 532 2HB LYS 58 3HB LYS 58 27.595 -10.105 -1.791 533 1HG LYS 58 2HG LYS 58 30.152 -10.123 -1.700 534 2HG LYS 58 3HG LYS 58 30.052 -11.396 -2.918 535 1HD LYS 58 2HD LYS 58 28.559 -8.831 -3.299 536 2HD LYS 58 3HD LYS 58 30.284 -8.913 -3.662 537 1HE LYS 58 2HE LYS 58 29.370 -9.445 -5.705 538 2HE LYS 58 3HE LYS 58 29.602 -11.047 -5.007 539 1HZ LYS 58 1HZ LYS 58 27.392 -11.375 -4.790 540 2HZ LYS 58 2HZ LYS 58 27.317 -10.271 -6.069 541 3HZ LYS 58 3HZ LYS 58 27.048 -9.747 -4.484 542 H ALA 59 H ALA 59 30.137 -11.607 1.193 543 HA ALA 59 HA ALA 59 28.852 -9.811 3.000 544 1HB ALA 59 1HB ALA 59 30.276 -11.273 4.078 545 2HB ALA 59 2HB ALA 59 31.548 -11.093 2.868 546 3HB ALA 59 3HB ALA 59 31.240 -9.797 4.023 547 H GLU 60 H GLU 60 31.681 -9.496 0.857 548 HA GLU 60 HA GLU 60 32.730 -7.679 -0.025 549 1HB GLU 60 2HB GLU 60 30.192 -7.418 -0.735 550 2HB GLU 60 3HB GLU 60 30.278 -6.013 0.318 551 1HG GLU 60 2HG GLU 60 32.447 -5.521 -1.102 552 2HG GLU 60 3HG GLU 60 31.605 -6.520 -2.285 Start of MODEL 5 1 1H GLY -2 H GLY -3 12.699 10.302 7.818 2 1HA GLY -2 2HA GLY -3 14.348 11.706 9.681 3 2HA GLY -2 3HA GLY -3 13.523 10.355 10.443 4 H SER -1 H SER -2 16.406 11.071 9.493 5 HA SER -1 HA SER -2 17.137 9.140 7.571 6 1HB SER -1 2HB SER -2 18.624 10.780 9.587 7 2HB SER -1 3HB SER -2 19.463 9.464 8.767 8 HG SER -1 HG SER -2 19.352 10.520 6.914 9 H HIS 0 H HIS -1 17.528 7.021 7.715 10 HA HIS 0 HA HIS -1 17.997 5.813 10.339 11 1HB HIS 0 2HB HIS -1 15.704 5.234 8.506 12 2HB HIS 0 3HB HIS -1 16.392 3.918 9.454 13 HD1 HIS 0 1HD HIS -1 16.463 4.438 12.144 14 HD2 HIS 0 2HD HIS -1 13.843 6.690 9.835 15 HE1 HIS 0 1HE HIS -1 14.804 5.411 13.765 16 H MET 1 H MET 1 18.903 3.657 10.225 17 HA MET 1 HA MET 1 20.327 3.197 7.688 18 1HB MET 1 2HB MET 1 22.162 2.310 8.923 19 2HB MET 1 3HB MET 1 21.717 3.829 9.689 20 1HG MET 1 2HG MET 1 20.319 2.379 11.280 21 2HG MET 1 3HG MET 1 21.275 1.035 10.660 22 1HE MET 1 1HE MET 1 21.361 4.543 12.203 23 2HE MET 1 2HE MET 1 21.101 3.470 13.577 24 3HE MET 1 3HE MET 1 22.600 4.391 13.449 25 H VAL 2 H VAL 2 17.678 2.196 8.361 26 HA VAL 2 HA VAL 2 18.240 -0.659 8.029 27 HB VAL 2 HB VAL 2 17.684 -0.345 10.406 28 1HG1 VAL 2 1HG1 VAL 2 14.911 0.456 9.608 29 2HG1 VAL 2 2HG1 VAL 2 15.706 0.604 11.176 30 3HG1 VAL 2 3HG1 VAL 2 16.167 1.670 9.848 31 1HG2 VAL 2 1HG2 VAL 2 15.346 -1.682 9.080 32 2HG2 VAL 2 2HG2 VAL 2 16.970 -2.364 8.998 33 3HG2 VAL 2 3HG2 VAL 2 16.186 -2.139 10.562 34 H GLU 3 H GLU 3 16.874 -1.710 6.649 35 HA GLU 3 HA GLU 3 14.863 -0.033 5.310 36 1HB GLU 3 2HB GLU 3 15.093 -1.704 3.439 37 2HB GLU 3 3HB GLU 3 16.525 -0.735 3.759 38 1HG GLU 3 2HG GLU 3 16.304 -3.361 5.116 39 2HG GLU 3 3HG GLU 3 16.641 -3.349 3.386 40 H MET 4 H MET 4 12.783 -0.743 5.023 41 HA MET 4 HA MET 4 12.014 -3.421 5.800 42 1HB MET 4 2HB MET 4 11.412 -1.016 7.470 43 2HB MET 4 3HB MET 4 10.207 -2.291 7.353 44 1HG MET 4 2HG MET 4 12.052 -3.893 8.036 45 2HG MET 4 3HG MET 4 12.993 -2.461 8.449 46 1HE MET 4 1HE MET 4 12.611 -2.256 11.772 47 2HE MET 4 2HE MET 4 12.428 -3.999 11.569 48 3HE MET 4 3HE MET 4 13.476 -3.088 10.479 49 H ARG 5 H ARG 5 9.593 -3.710 5.558 50 HA ARG 5 HA ARG 5 8.775 -3.027 3.009 51 1HB ARG 5 2HB ARG 5 6.503 -3.719 3.729 52 2HB ARG 5 3HB ARG 5 7.753 -4.860 4.203 53 1HG ARG 5 2HG ARG 5 6.553 -4.763 6.134 54 2HG ARG 5 3HG ARG 5 7.714 -3.468 6.435 55 1HD ARG 5 2HD ARG 5 6.135 -1.871 6.359 56 2HD ARG 5 3HD ARG 5 5.300 -2.625 5.003 57 HE ARG 5 HE ARG 5 4.870 -4.157 7.318 58 1HH1 ARG 5 2HH1 ARG 5 4.016 -1.078 5.937 59 2HH1 ARG 5 1HH1 ARG 5 2.500 -0.977 6.770 60 1HH2 ARG 5 2HH2 ARG 5 2.877 -4.036 8.420 61 2HH2 ARG 5 1HH2 ARG 5 1.854 -2.661 8.183 62 H MET 6 H MET 6 7.427 -1.477 2.132 63 HA MET 6 HA MET 6 6.001 0.449 3.611 64 1HB MET 6 2HB MET 6 7.348 2.392 3.420 65 2HB MET 6 3HB MET 6 8.386 1.146 4.099 66 1HG MET 6 2HG MET 6 8.885 0.808 1.475 67 2HG MET 6 3HG MET 6 8.531 2.534 1.514 68 1HE MET 6 1HE MET 6 9.668 4.143 3.362 69 2HE MET 6 2HE MET 6 9.585 2.981 4.687 70 3HE MET 6 3HE MET 6 11.127 3.722 4.260 71 H LYS 7 H LYS 7 5.977 2.604 1.940 72 HA LYS 7 HA LYS 7 5.395 1.480 -0.718 73 1HB LYS 7 2HB LYS 7 3.430 3.068 -0.798 74 2HB LYS 7 3HB LYS 7 3.257 1.702 0.296 75 1HG LYS 7 2HG LYS 7 4.268 3.500 2.002 76 2HG LYS 7 3HG LYS 7 3.454 4.588 0.876 77 1HD LYS 7 2HD LYS 7 2.192 2.252 2.314 78 2HD LYS 7 3HD LYS 7 1.980 3.957 2.721 79 1HE LYS 7 2HE LYS 7 0.966 4.354 0.532 80 2HE LYS 7 3HE LYS 7 1.191 2.655 0.114 81 1HZ LYS 7 1HZ LYS 7 -0.859 2.409 0.922 82 2HZ LYS 7 2HZ LYS 7 -0.838 3.891 1.738 83 3HZ LYS 7 3HZ LYS 7 -0.149 2.522 2.454 84 H LYS 8 H LYS 8 4.934 3.407 -2.295 85 HA LYS 8 HA LYS 8 6.634 5.711 -1.727 86 1HB LYS 8 2HB LYS 8 8.075 3.969 -2.789 87 2HB LYS 8 3HB LYS 8 7.018 4.007 -4.194 88 1HG LYS 8 2HG LYS 8 7.554 6.449 -4.408 89 2HG LYS 8 3HG LYS 8 8.780 6.213 -3.161 90 1HD LYS 8 2HD LYS 8 9.946 6.011 -5.188 91 2HD LYS 8 3HD LYS 8 9.688 4.347 -4.656 92 1HE LYS 8 2HE LYS 8 7.466 4.701 -6.118 93 2HE LYS 8 3HE LYS 8 8.547 5.812 -6.958 94 1HZ LYS 8 1HZ LYS 8 9.284 4.032 -8.036 95 2HZ LYS 8 2HZ LYS 8 8.506 2.957 -6.988 96 3HZ LYS 8 3HZ LYS 8 10.040 3.556 -6.600 97 H CYS 9 H CYS 9 6.198 7.529 -3.014 98 HA CYS 9 HA CYS 9 3.510 7.702 -3.948 99 1HB CYS 9 2HB CYS 9 4.703 9.585 -2.856 100 2HB CYS 9 3HB CYS 9 5.759 9.700 -4.259 101 HA PRO 10 HA PRO 10 4.452 6.253 -8.067 102 1HB PRO 10 2HB PRO 10 1.901 6.404 -8.981 103 2HB PRO 10 3HB PRO 10 2.475 5.088 -7.950 104 1HG PRO 10 2HG PRO 10 0.924 7.539 -7.207 105 2HG PRO 10 3HG PRO 10 0.699 5.866 -6.665 106 1HD PRO 10 2HD PRO 10 1.966 7.726 -5.161 107 2HD PRO 10 3HD PRO 10 2.401 6.006 -5.117 108 H LYS 11 H LYS 11 3.485 9.305 -7.029 109 HA LYS 11 HA LYS 11 3.297 10.419 -9.726 110 1HB LYS 11 2HB LYS 11 2.301 11.164 -7.115 111 2HB LYS 11 3HB LYS 11 3.166 12.503 -7.856 112 1HG LYS 11 2HG LYS 11 0.807 12.613 -8.382 113 2HG LYS 11 3HG LYS 11 1.752 12.315 -9.843 114 1HD LYS 11 2HD LYS 11 0.977 10.168 -10.070 115 2HD LYS 11 3HD LYS 11 0.686 9.976 -8.339 116 1HE LYS 11 2HE LYS 11 -1.470 10.295 -8.824 117 2HE LYS 11 3HE LYS 11 -1.048 11.993 -9.036 118 1HZ LYS 11 1HZ LYS 11 -0.449 10.582 -11.396 119 2HZ LYS 11 2HZ LYS 11 -1.558 11.838 -11.170 120 3HZ LYS 11 3HZ LYS 11 -2.041 10.233 -10.946 121 H CYS 12 H CYS 12 5.247 10.728 -6.780 122 HA CYS 12 HA CYS 12 7.258 12.208 -8.336 123 1HB CYS 12 2HB CYS 12 7.197 11.980 -5.332 124 2HB CYS 12 3HB CYS 12 8.035 13.172 -6.319 125 H GLY 13 H GLY 13 7.083 9.793 -5.709 126 1HA GLY 13 2HA GLY 13 8.196 7.624 -6.184 127 2HA GLY 13 3HA GLY 13 9.520 8.567 -6.849 128 H LEU 14 H LEU 14 7.802 9.482 -3.941 129 HA LEU 14 HA LEU 14 10.297 9.184 -2.442 130 1HB LEU 14 2HB LEU 14 9.535 11.317 -2.082 131 2HB LEU 14 3HB LEU 14 7.840 10.836 -2.146 132 HG LEU 14 HG LEU 14 8.069 9.845 0.105 133 1HD1 LEU 14 1HD1 LEU 14 10.000 9.979 1.379 134 2HD1 LEU 14 2HD1 LEU 14 10.711 11.227 0.356 135 3HD1 LEU 14 3HD1 LEU 14 10.616 9.563 -0.220 136 1HD2 LEU 14 1HD2 LEU 14 7.985 11.895 1.292 137 2HD2 LEU 14 2HD2 LEU 14 7.341 12.218 -0.317 138 3HD2 LEU 14 3HD2 LEU 14 8.985 12.712 0.091 139 H TYR 15 H TYR 15 10.577 7.674 -0.928 140 HA TYR 15 HA TYR 15 8.490 5.740 -0.464 141 1HB TYR 15 2HB TYR 15 11.374 5.968 0.343 142 2HB TYR 15 3HB TYR 15 10.330 4.761 1.086 143 HD1 TYR 15 1HD TYR 15 11.963 5.822 -2.026 144 HD2 TYR 15 2HD TYR 15 9.548 2.850 -0.170 145 HE1 TYR 15 1HE TYR 15 12.360 4.318 -3.932 146 HE2 TYR 15 2HE TYR 15 9.939 1.338 -2.070 147 HH TYR 15 HH TYR 15 10.551 1.557 -4.500 148 H THR 16 H THR 16 7.521 5.242 1.500 149 HA THR 16 HA THR 16 8.102 6.491 3.956 150 HB THR 16 HB THR 16 7.227 8.496 2.773 151 HG1 THR 16 1HG THR 16 6.372 9.105 4.625 152 1HG2 THR 16 1HG2 THR 16 4.492 7.288 2.889 153 2HG2 THR 16 2HG2 THR 16 5.517 7.007 1.482 154 3HG2 THR 16 3HG2 THR 16 5.074 8.653 1.936 155 H LEU 17 H LEU 17 5.967 6.385 5.415 156 HA LEU 17 HA LEU 17 4.539 3.900 4.752 157 1HB LEU 17 2HB LEU 17 5.876 4.641 7.342 158 2HB LEU 17 3HB LEU 17 4.651 3.378 7.227 159 HG LEU 17 HG LEU 17 6.940 3.118 5.383 160 1HD1 LEU 17 1HD1 LEU 17 8.505 3.419 6.940 161 2HD1 LEU 17 2HD1 LEU 17 7.916 1.923 7.663 162 3HD1 LEU 17 3HD1 LEU 17 7.317 3.477 8.243 163 1HD2 LEU 17 1HD2 LEU 17 5.463 1.336 5.311 164 2HD2 LEU 17 2HD2 LEU 17 5.197 1.351 7.055 165 3HD2 LEU 17 3HD2 LEU 17 6.720 0.746 6.400 166 H LYS 18 H LYS 18 4.219 7.074 5.252 167 HA LYS 18 HA LYS 18 1.956 7.086 7.041 168 1HB LYS 18 2HB LYS 18 3.256 9.201 5.329 169 2HB LYS 18 3HB LYS 18 1.794 9.508 6.256 170 1HG LYS 18 2HG LYS 18 4.183 8.379 7.634 171 2HG LYS 18 3HG LYS 18 4.135 10.099 7.238 172 1HD LYS 18 2HD LYS 18 3.072 10.314 9.202 173 2HD LYS 18 3HD LYS 18 1.664 9.705 8.329 174 1HE LYS 18 2HE LYS 18 1.635 8.175 9.986 175 2HE LYS 18 3HE LYS 18 2.856 7.381 8.992 176 1HZ LYS 18 1HZ LYS 18 4.079 7.464 10.845 177 2HZ LYS 18 2HZ LYS 18 3.125 8.662 11.562 178 3HZ LYS 18 3HZ LYS 18 4.331 9.091 10.456 179 H GLU 19 H GLU 19 2.308 6.044 3.966 180 HA GLU 19 HA GLU 19 0.861 5.545 2.284 181 1HB GLU 19 2HB GLU 19 -1.298 6.406 4.216 182 2HB GLU 19 3HB GLU 19 -1.510 5.410 2.783 183 1HG GLU 19 2HG GLU 19 0.366 3.997 4.151 184 2HG GLU 19 3HG GLU 19 -0.588 4.687 5.461 185 H ILE 20 H ILE 20 1.654 8.472 3.129 186 HA ILE 20 HA ILE 20 0.189 9.704 0.923 187 HB ILE 20 HB ILE 20 0.391 10.992 3.649 188 1HG1 ILE 20 2HG1 ILE 20 -1.315 9.171 3.451 189 2HG1 ILE 20 3HG1 ILE 20 -2.004 10.755 3.784 190 1HG2 ILE 20 1HG2 ILE 20 -0.553 11.974 0.981 191 2HG2 ILE 20 2HG2 ILE 20 -1.184 12.660 2.478 192 3HG2 ILE 20 3HG2 ILE 20 0.542 12.746 2.128 193 1HD1 ILE 20 1HD1 ILE 20 -1.878 10.366 0.963 194 2HD1 ILE 20 2HD1 ILE 20 -2.661 8.976 1.717 195 3HD1 ILE 20 3HD1 ILE 20 -3.288 10.601 1.996 196 H CYS 21 H CYS 21 1.305 11.320 -0.138 197 HA CYS 21 HA CYS 21 4.158 11.403 0.405 198 1HB CYS 21 2HB CYS 21 3.413 11.035 -1.896 199 2HB CYS 21 3HB CYS 21 2.541 12.564 -1.873 200 HA PRO 22 HA PRO 22 3.526 15.229 2.657 201 1HB PRO 22 2HB PRO 22 6.101 15.441 3.491 202 2HB PRO 22 3HB PRO 22 4.928 14.363 4.257 203 1HG PRO 22 2HG PRO 22 7.049 13.729 2.243 204 2HG PRO 22 3HG PRO 22 6.584 12.829 3.698 205 1HD PRO 22 2HD PRO 22 5.766 12.113 1.217 206 2HD PRO 22 3HD PRO 22 4.771 11.850 2.664 207 H LYS 23 H LYS 23 5.282 14.588 -0.149 208 HA LYS 23 HA LYS 23 6.507 17.196 -0.393 209 1HB LYS 23 2HB LYS 23 6.918 14.683 -1.567 210 2HB LYS 23 3HB LYS 23 6.343 15.712 -2.872 211 1HG LYS 23 2HG LYS 23 8.694 15.862 -2.890 212 2HG LYS 23 3HG LYS 23 8.110 17.372 -2.189 213 1HD LYS 23 2HD LYS 23 8.558 15.310 -0.188 214 2HD LYS 23 3HD LYS 23 10.017 15.695 -1.101 215 1HE LYS 23 2HE LYS 23 9.553 18.116 -0.630 216 2HE LYS 23 3HE LYS 23 8.268 17.590 0.457 217 1HZ LYS 23 1HZ LYS 23 10.704 18.043 1.304 218 2HZ LYS 23 2HZ LYS 23 10.924 16.432 0.839 219 3HZ LYS 23 3HZ LYS 23 9.743 16.828 1.983 220 H CYS 24 H CYS 24 4.125 15.420 -2.374 221 HA CYS 24 HA CYS 24 3.061 17.992 -3.288 222 1HB CYS 24 2HB CYS 24 1.959 16.701 -5.058 223 2HB CYS 24 3HB CYS 24 3.688 16.380 -5.028 224 H GLY 25 H GLY 25 2.136 15.017 -1.650 225 1HA GLY 25 2HA GLY 25 0.475 15.120 0.102 226 2HA GLY 25 3HA GLY 25 -0.359 16.355 -0.828 227 H GLU 26 H GLU 26 0.920 13.491 -2.348 228 HA GLU 26 HA GLU 26 -1.841 12.591 -2.824 229 1HB GLU 26 2HB GLU 26 -0.768 13.194 -4.883 230 2HB GLU 26 3HB GLU 26 0.665 12.260 -4.473 231 1HG GLU 26 2HG GLU 26 -0.895 11.243 -6.172 232 2HG GLU 26 3HG GLU 26 -0.436 10.216 -4.816 233 H LYS 27 H LYS 27 -2.441 10.537 -2.356 234 HA LYS 27 HA LYS 27 -1.184 9.084 -0.386 235 1HB LYS 27 2HB LYS 27 -3.475 8.639 -0.876 236 2HB LYS 27 3HB LYS 27 -3.104 8.202 -2.539 237 1HG LYS 27 2HG LYS 27 -2.317 6.123 -1.964 238 2HG LYS 27 3HG LYS 27 -1.903 6.616 -0.321 239 1HD LYS 27 2HD LYS 27 -3.777 5.346 0.072 240 2HD LYS 27 3HD LYS 27 -4.499 6.947 -0.103 241 1HE LYS 27 2HE LYS 27 -4.949 6.438 -2.481 242 2HE LYS 27 3HE LYS 27 -4.311 4.814 -2.229 243 1HZ LYS 27 1HZ LYS 27 -6.637 4.656 -2.049 244 2HZ LYS 27 2HZ LYS 27 -6.747 6.010 -1.042 245 3HZ LYS 27 3HZ LYS 27 -6.059 4.579 -0.460 246 H THR 28 H THR 28 0.218 7.364 -0.305 247 HA THR 28 HA THR 28 1.907 7.014 -2.652 248 HB THR 28 HB THR 28 3.192 5.521 -0.896 249 HG1 THR 28 1HG THR 28 2.809 6.661 1.225 250 1HG2 THR 28 1HG2 THR 28 3.493 8.063 -1.850 251 2HG2 THR 28 2HG2 THR 28 4.641 7.239 -0.795 252 3HG2 THR 28 3HG2 THR 28 3.442 8.334 -0.109 253 H VAL 29 H VAL 29 2.614 4.867 -3.309 254 HA VAL 29 HA VAL 29 0.719 2.715 -2.675 255 HB VAL 29 HB VAL 29 0.481 2.084 -4.984 256 1HG1 VAL 29 1HG1 VAL 29 -0.956 3.779 -5.712 257 2HG1 VAL 29 2HG1 VAL 29 -0.928 3.961 -3.957 258 3HG1 VAL 29 3HG1 VAL 29 0.019 5.049 -4.972 259 1HG2 VAL 29 1HG2 VAL 29 2.319 2.526 -6.220 260 2HG2 VAL 29 2HG2 VAL 29 1.431 3.995 -6.623 261 3HG2 VAL 29 3HG2 VAL 29 2.667 4.029 -5.365 262 H ILE 30 H ILE 30 1.514 0.584 -3.081 263 HA ILE 30 HA ILE 30 4.213 0.215 -2.370 264 HB ILE 30 HB ILE 30 2.428 -1.853 -3.651 265 1HG1 ILE 30 2HG1 ILE 30 1.218 -0.848 -1.804 266 2HG1 ILE 30 3HG1 ILE 30 1.778 -2.447 -1.326 267 1HG2 ILE 30 1HG2 ILE 30 4.271 -3.092 -3.435 268 2HG2 ILE 30 2HG2 ILE 30 5.066 -1.882 -2.430 269 3HG2 ILE 30 3HG2 ILE 30 3.963 -3.048 -1.699 270 1HD1 ILE 30 1HD1 ILE 30 2.752 -1.565 0.446 271 2HD1 ILE 30 2HD1 ILE 30 3.773 -0.575 -0.598 272 3HD1 ILE 30 3HD1 ILE 30 2.215 0.040 -0.049 273 HA PRO 31 HA PRO 31 5.895 0.836 -6.480 274 1HB PRO 31 2HB PRO 31 8.491 0.678 -5.700 275 2HB PRO 31 3HB PRO 31 7.507 2.130 -5.475 276 1HG PRO 31 2HG PRO 31 8.190 -0.019 -3.506 277 2HG PRO 31 3HG PRO 31 8.161 1.740 -3.278 278 1HD PRO 31 2HD PRO 31 6.148 0.130 -2.450 279 2HD PRO 31 3HD PRO 31 5.873 1.792 -3.007 280 H LYS 32 H LYS 32 5.586 -0.921 -7.731 281 HA LYS 32 HA LYS 32 7.134 -3.349 -7.099 282 1HB LYS 32 2HB LYS 32 4.482 -3.301 -7.205 283 2HB LYS 32 3HB LYS 32 4.781 -3.449 -8.931 284 1HG LYS 32 2HG LYS 32 6.080 -5.482 -8.531 285 2HG LYS 32 3HG LYS 32 5.765 -5.336 -6.800 286 1HD LYS 32 2HD LYS 32 3.672 -5.673 -8.949 287 2HD LYS 32 3HD LYS 32 4.251 -6.944 -7.869 288 1HE LYS 32 2HE LYS 32 3.476 -5.571 -5.945 289 2HE LYS 32 3HE LYS 32 2.781 -4.427 -7.093 290 1HZ LYS 32 1HZ LYS 32 1.060 -5.773 -7.514 291 2HZ LYS 32 2HZ LYS 32 1.461 -6.507 -6.044 292 3HZ LYS 32 3HZ LYS 32 1.998 -7.181 -7.499 293 HA PRO 33 HA PRO 33 8.859 -1.578 -11.018 294 1HB PRO 33 2HB PRO 33 11.450 -2.052 -10.358 295 2HB PRO 33 3HB PRO 33 10.588 -0.585 -9.877 296 1HG PRO 33 2HG PRO 33 11.139 -3.065 -8.291 297 2HG PRO 33 3HG PRO 33 11.254 -1.368 -7.790 298 1HD PRO 33 2HD PRO 33 9.136 -2.934 -7.160 299 2HD PRO 33 3HD PRO 33 8.983 -1.187 -7.440 300 HA PRO 34 HA PRO 34 9.540 -5.400 -13.084 301 1HB PRO 34 2HB PRO 34 11.508 -4.786 -14.850 302 2HB PRO 34 3HB PRO 34 9.849 -4.200 -15.019 303 1HG PRO 34 2HG PRO 34 12.252 -2.794 -13.918 304 2HG PRO 34 3HG PRO 34 10.995 -2.176 -15.006 305 1HD PRO 34 2HD PRO 34 11.014 -1.646 -12.350 306 2HD PRO 34 3HD PRO 34 9.510 -1.804 -13.283 307 H LYS 35 H LYS 35 11.380 -6.917 -13.859 308 HA LYS 35 HA LYS 35 12.818 -7.788 -11.627 309 1HB LYS 35 2HB LYS 35 13.969 -9.308 -13.184 310 2HB LYS 35 3HB LYS 35 12.230 -9.288 -13.451 311 1HG LYS 35 2HG LYS 35 13.774 -7.385 -15.076 312 2HG LYS 35 3HG LYS 35 14.070 -9.092 -15.410 313 1HD LYS 35 2HD LYS 35 11.421 -9.180 -15.338 314 2HD LYS 35 3HD LYS 35 11.600 -7.479 -15.773 315 1HE LYS 35 2HE LYS 35 11.596 -8.362 -17.864 316 2HE LYS 35 3HE LYS 35 13.318 -8.521 -17.519 317 1HZ LYS 35 1HZ LYS 35 11.815 -10.766 -16.588 318 2HZ LYS 35 2HZ LYS 35 13.176 -10.723 -17.590 319 3HZ LYS 35 3HZ LYS 35 11.633 -10.535 -18.254 320 H PHE 36 H PHE 36 13.572 -5.413 -14.007 321 HA PHE 36 HA PHE 36 16.411 -5.414 -13.358 322 1HB PHE 36 2HB PHE 36 15.272 -4.971 -15.699 323 2HB PHE 36 3HB PHE 36 15.145 -3.326 -15.084 324 HD1 PHE 36 1HD PHE 36 17.655 -6.058 -15.451 325 HD2 PHE 36 2HD PHE 36 16.880 -1.873 -15.472 326 HE1 PHE 36 1HE PHE 36 19.984 -5.634 -16.121 327 HE2 PHE 36 2HE PHE 36 19.208 -1.442 -16.142 328 HZ PHE 36 HZ PHE 36 20.763 -3.323 -16.469 329 H SER 37 H SER 37 16.709 -4.630 -11.337 330 HA SER 37 HA SER 37 15.958 -1.834 -10.893 331 1HB SER 37 2HB SER 37 14.388 -3.621 -9.754 332 2HB SER 37 3HB SER 37 15.711 -3.733 -8.592 333 HG SER 37 HG SER 37 13.829 -1.998 -8.523 334 H LEU 38 H LEU 38 17.089 -0.995 -8.848 335 HA LEU 38 HA LEU 38 19.892 -1.709 -9.078 336 1HB LEU 38 2HB LEU 38 18.365 0.541 -7.848 337 2HB LEU 38 3HB LEU 38 20.025 0.240 -7.338 338 HG LEU 38 HG LEU 38 20.602 0.396 -9.841 339 1HD1 LEU 38 1HD1 LEU 38 17.758 0.993 -9.861 340 2HD1 LEU 38 2HD1 LEU 38 18.839 0.579 -11.191 341 3HD1 LEU 38 3HD1 LEU 38 18.729 2.248 -10.630 342 1HD2 LEU 38 1HD2 LEU 38 20.412 2.986 -9.654 343 2HD2 LEU 38 2HD2 LEU 38 21.452 2.100 -8.538 344 3HD2 LEU 38 3HD2 LEU 38 19.856 2.640 -8.016 345 H GLU 39 H GLU 39 17.256 -2.132 -6.871 346 HA GLU 39 HA GLU 39 18.661 -2.594 -4.492 347 1HB GLU 39 2HB GLU 39 15.988 -3.438 -5.540 348 2HB GLU 39 3HB GLU 39 16.588 -4.150 -4.049 349 1HG GLU 39 2HG GLU 39 16.881 -1.845 -3.151 350 2HG GLU 39 3HG GLU 39 16.083 -1.237 -4.601 351 H ASP 40 H ASP 40 17.991 -4.670 -7.237 352 HA ASP 40 HA ASP 40 19.363 -6.895 -5.896 353 1HB ASP 40 2HB ASP 40 18.467 -8.171 -7.969 354 2HB ASP 40 3HB ASP 40 17.333 -7.720 -6.699 355 H ARG 41 H ARG 41 21.357 -7.455 -6.481 356 HA ARG 41 HA ARG 41 22.761 -5.943 -8.457 357 1HB ARG 41 2HB ARG 41 23.611 -8.393 -6.903 358 2HB ARG 41 3HB ARG 41 24.679 -7.380 -7.865 359 1HG ARG 41 2HG ARG 41 23.804 -5.471 -6.326 360 2HG ARG 41 3HG ARG 41 23.367 -6.802 -5.252 361 1HD ARG 41 2HD ARG 41 25.821 -7.583 -5.716 362 2HD ARG 41 3HD ARG 41 26.063 -5.893 -6.156 363 HE ARG 41 HE ARG 41 25.813 -6.945 -3.532 364 1HH1 ARG 41 2HH1 ARG 41 25.016 -4.180 -5.491 365 2HH1 ARG 41 1HH1 ARG 41 24.987 -3.077 -4.155 366 1HH2 ARG 41 2HH2 ARG 41 25.778 -5.504 -1.764 367 2HH2 ARG 41 1HH2 ARG 41 25.422 -3.831 -2.035 368 H TRP 42 H TRP 42 21.956 -9.403 -8.173 369 HA TRP 42 HA TRP 42 22.714 -9.866 -10.929 370 1HB TRP 42 2HB TRP 42 21.864 -11.580 -8.634 371 2HB TRP 42 3HB TRP 42 21.689 -12.215 -10.268 372 HD1 TRP 42 1HD TRP 42 24.615 -10.211 -8.674 373 HE1 TRP 42 1HE TRP 42 26.783 -11.544 -9.060 374 HE3 TRP 42 3HE TRP 42 22.642 -14.309 -11.007 375 HZ2 TRP 42 2HZ TRP 42 27.554 -14.008 -10.202 376 HZ3 TRP 42 3HZ TRP 42 24.162 -16.110 -11.716 377 HH2 TRP 42 2HH TRP 42 26.567 -15.960 -11.320 378 H GLY 43 H GLY 43 19.879 -9.071 -9.179 379 1HA GLY 43 2HA GLY 43 17.747 -8.619 -9.914 380 2HA GLY 43 3HA GLY 43 18.330 -8.850 -11.556 381 H LYS 44 H LYS 44 18.370 -10.991 -12.430 382 HA LYS 44 HA LYS 44 16.066 -12.467 -12.000 383 1HB LYS 44 2HB LYS 44 18.637 -12.950 -13.408 384 2HB LYS 44 3HB LYS 44 17.634 -14.357 -13.082 385 1HG LYS 44 2HG LYS 44 17.138 -13.526 -15.274 386 2HG LYS 44 3HG LYS 44 15.751 -13.235 -14.221 387 1HD LYS 44 2HD LYS 44 16.136 -11.277 -15.570 388 2HD LYS 44 3HD LYS 44 16.550 -10.909 -13.894 389 1HE LYS 44 2HE LYS 44 18.207 -10.012 -15.462 390 2HE LYS 44 3HE LYS 44 18.909 -11.219 -14.387 391 1HZ LYS 44 1HZ LYS 44 17.905 -11.994 -17.047 392 2HZ LYS 44 2HZ LYS 44 19.063 -12.761 -16.082 393 3HZ LYS 44 3HZ LYS 44 19.448 -11.321 -16.880 394 H TYR 45 H TYR 45 19.182 -12.695 -10.439 395 HA TYR 45 HA TYR 45 18.938 -15.235 -9.284 396 1HB TYR 45 2HB TYR 45 21.040 -13.940 -9.327 397 2HB TYR 45 3HB TYR 45 20.357 -12.806 -8.166 398 HD1 TYR 45 1HD TYR 45 21.690 -16.192 -8.638 399 HD2 TYR 45 2HD TYR 45 20.136 -13.397 -5.831 400 HE1 TYR 45 1HE TYR 45 22.510 -17.597 -6.794 401 HE2 TYR 45 2HE TYR 45 20.954 -14.795 -3.979 402 HH TYR 45 HH TYR 45 21.984 -16.670 -3.404 403 H ARG 46 H ARG 46 17.490 -12.190 -8.468 404 HA ARG 46 HA ARG 46 16.860 -12.509 -5.799 405 1HB ARG 46 2HB ARG 46 16.398 -10.458 -7.057 406 2HB ARG 46 3HB ARG 46 15.143 -11.289 -7.966 407 1HG ARG 46 2HG ARG 46 13.777 -11.510 -6.026 408 2HG ARG 46 3HG ARG 46 15.077 -10.932 -4.981 409 1HD ARG 46 2HD ARG 46 14.971 -8.809 -6.481 410 2HD ARG 46 3HD ARG 46 13.368 -9.409 -6.906 411 HE ARG 46 HE ARG 46 13.358 -9.469 -4.201 412 1HH1 ARG 46 2HH1 ARG 46 14.121 -7.008 -6.541 413 2HH1 ARG 46 1HH1 ARG 46 13.616 -5.700 -5.524 414 1HH2 ARG 46 2HH2 ARG 46 12.688 -7.756 -2.852 415 2HH2 ARG 46 1HH2 ARG 46 12.802 -6.126 -3.425 416 H ARG 47 H ARG 47 15.411 -14.010 -8.610 417 HA ARG 47 HA ARG 47 13.050 -14.970 -7.461 418 1HB ARG 47 2HB ARG 47 14.726 -15.722 -9.799 419 2HB ARG 47 3HB ARG 47 13.548 -16.902 -9.242 420 1HG ARG 47 2HG ARG 47 11.923 -14.841 -9.323 421 2HG ARG 47 3HG ARG 47 13.125 -14.224 -10.460 422 1HD ARG 47 2HD ARG 47 12.892 -16.268 -11.796 423 2HD ARG 47 3HD ARG 47 11.677 -16.863 -10.664 424 HE ARG 47 HE ARG 47 11.297 -14.935 -12.750 425 1HH1 ARG 47 2HH1 ARG 47 10.164 -16.013 -9.640 426 2HH1 ARG 47 1HH1 ARG 47 8.569 -15.371 -9.853 427 1HH2 ARG 47 2HH2 ARG 47 9.201 -14.085 -13.042 428 2HH2 ARG 47 1HH2 ARG 47 8.022 -14.275 -11.788 429 H MET 48 H MET 48 16.337 -16.187 -7.352 430 HA MET 48 HA MET 48 15.436 -18.501 -5.783 431 1HB MET 48 2HB MET 48 17.897 -17.930 -7.394 432 2HB MET 48 3HB MET 48 17.957 -19.128 -6.107 433 1HG MET 48 2HG MET 48 16.446 -20.534 -7.175 434 2HG MET 48 3HG MET 48 15.845 -19.249 -8.220 435 1HE MET 48 1HE MET 48 18.564 -18.835 -10.886 436 2HE MET 48 2HE MET 48 17.083 -18.225 -10.151 437 3HE MET 48 3HE MET 48 18.639 -17.936 -9.371 438 H LEU 49 H LEU 49 15.661 -15.693 -4.819 439 HA LEU 49 HA LEU 49 17.876 -15.834 -2.930 440 1HB LEU 49 2HB LEU 49 17.285 -13.735 -4.170 441 2HB LEU 49 3HB LEU 49 15.799 -13.673 -3.223 442 HG LEU 49 HG LEU 49 18.373 -13.805 -1.745 443 1HD1 LEU 49 1HD1 LEU 49 19.058 -12.164 -3.255 444 2HD1 LEU 49 2HD1 LEU 49 18.403 -11.249 -1.897 445 3HD1 LEU 49 3HD1 LEU 49 17.446 -11.457 -3.363 446 1HD2 LEU 49 1HD2 LEU 49 17.045 -13.245 -0.058 447 2HD2 LEU 49 2HD2 LEU 49 15.668 -13.364 -1.153 448 3HD2 LEU 49 3HD2 LEU 49 16.478 -11.814 -0.919 449 H LYS 50 H LYS 50 14.416 -16.179 -3.045 450 HA LYS 50 HA LYS 50 13.906 -15.938 -0.268 451 1HB LYS 50 2HB LYS 50 11.795 -17.233 -0.857 452 2HB LYS 50 3HB LYS 50 12.043 -15.711 -1.703 453 1HG LYS 50 2HG LYS 50 11.920 -16.736 -3.657 454 2HG LYS 50 3HG LYS 50 13.237 -17.823 -3.208 455 1HD LYS 50 2HD LYS 50 11.391 -19.211 -3.705 456 2HD LYS 50 3HD LYS 50 11.506 -19.175 -1.944 457 1HE LYS 50 2HE LYS 50 9.190 -18.946 -2.717 458 2HE LYS 50 3HE LYS 50 9.734 -17.517 -1.842 459 1HZ LYS 50 1HZ LYS 50 10.069 -17.508 -4.739 460 2HZ LYS 50 2HZ LYS 50 9.663 -16.242 -3.692 461 3HZ LYS 50 3HZ LYS 50 8.487 -17.367 -4.153 462 H ARG 51 H ARG 51 15.486 -18.319 -2.063 463 HA ARG 51 HA ARG 51 15.157 -20.256 0.134 464 1HB ARG 51 2HB ARG 51 15.642 -20.850 -2.791 465 2HB ARG 51 3HB ARG 51 15.552 -22.049 -1.507 466 1HG ARG 51 2HG ARG 51 13.292 -20.191 -2.202 467 2HG ARG 51 3HG ARG 51 13.486 -21.803 -2.893 468 1HD ARG 51 2HD ARG 51 13.030 -22.860 -0.899 469 2HD ARG 51 3HD ARG 51 13.544 -21.479 0.070 470 HE ARG 51 HE ARG 51 11.404 -20.684 -0.010 471 1HH1 ARG 51 2HH1 ARG 51 11.823 -23.044 -2.535 472 2HH1 ARG 51 1HH1 ARG 51 10.150 -23.052 -2.985 473 1HH2 ARG 51 2HH2 ARG 51 9.198 -20.685 -0.593 474 2HH2 ARG 51 1HH2 ARG 51 8.658 -21.709 -1.881 475 H ALA 52 H ALA 52 16.950 -20.618 1.249 476 HA ALA 52 HA ALA 52 19.539 -19.993 -0.008 477 1HB ALA 52 1HB ALA 52 20.312 -19.169 1.967 478 2HB ALA 52 2HB ALA 52 18.594 -18.836 2.187 479 3HB ALA 52 3HB ALA 52 19.321 -20.256 2.938 480 H LEU 53 H LEU 53 17.665 -22.437 1.593 481 HA LEU 53 HA LEU 53 19.848 -24.197 2.158 482 1HB LEU 53 2HB LEU 53 16.949 -24.198 2.455 483 2HB LEU 53 3HB LEU 53 17.598 -25.779 2.024 484 HG LEU 53 HG LEU 53 19.190 -25.466 4.001 485 1HD1 LEU 53 1HD1 LEU 53 17.534 -23.055 4.207 486 2HD1 LEU 53 2HD1 LEU 53 19.140 -23.392 4.852 487 3HD1 LEU 53 3HD1 LEU 53 17.708 -23.964 5.709 488 1HD2 LEU 53 1HD2 LEU 53 17.366 -27.050 4.044 489 2HD2 LEU 53 2HD2 LEU 53 16.222 -25.770 4.445 490 3HD2 LEU 53 3HD2 LEU 53 17.473 -26.229 5.601 491 H LYS 54 H LYS 54 20.887 -25.493 0.803 492 HA LYS 54 HA LYS 54 20.084 -25.675 -1.951 493 1HB LYS 54 2HB LYS 54 22.395 -26.793 -0.376 494 2HB LYS 54 3HB LYS 54 22.131 -27.217 -2.062 495 1HG LYS 54 2HG LYS 54 22.581 -25.069 -2.808 496 2HG LYS 54 3HG LYS 54 22.281 -24.350 -1.223 497 1HD LYS 54 2HD LYS 54 24.313 -25.454 -0.366 498 2HD LYS 54 3HD LYS 54 24.621 -26.101 -1.980 499 1HE LYS 54 2HE LYS 54 24.635 -23.725 -2.809 500 2HE LYS 54 3HE LYS 54 24.603 -23.214 -1.122 501 1HZ LYS 54 1HZ LYS 54 26.839 -23.218 -1.609 502 2HZ LYS 54 2HZ LYS 54 26.748 -24.586 -2.599 503 3HZ LYS 54 3HZ LYS 54 26.646 -24.750 -0.918 504 H ASN 55 H ASN 55 18.456 -26.980 -2.490 505 HA ASN 55 HA ASN 55 17.666 -29.254 -1.008 506 1HB ASN 55 2HB ASN 55 16.286 -29.747 -3.105 507 2HB ASN 55 3HB ASN 55 15.981 -28.212 -2.297 508 1HD2 ASN 55 1HD2 ASN 55 15.543 -26.743 -3.765 509 2HD2 ASN 55 2HD2 ASN 55 16.402 -26.491 -5.244 510 H LYS 56 H LYS 56 17.933 -31.437 -1.395 511 HA LYS 56 HA LYS 56 20.056 -32.135 -3.317 512 1HB LYS 56 2HB LYS 56 20.868 -33.788 -1.825 513 2HB LYS 56 3HB LYS 56 20.623 -32.341 -0.856 514 1HG LYS 56 2HG LYS 56 18.268 -33.447 -0.426 515 2HG LYS 56 3HG LYS 56 19.154 -34.921 -0.825 516 1HD LYS 56 2HD LYS 56 20.385 -33.023 1.107 517 2HD LYS 56 3HD LYS 56 19.021 -34.001 1.655 518 1HE LYS 56 2HE LYS 56 20.703 -35.443 2.162 519 2HE LYS 56 3HE LYS 56 20.438 -35.923 0.486 520 1HZ LYS 56 1HZ LYS 56 22.605 -34.261 1.605 521 2HZ LYS 56 2HZ LYS 56 22.208 -34.174 -0.037 522 3HZ LYS 56 3HZ LYS 56 22.720 -35.641 0.632 523 H ASN 57 H ASN 57 17.103 -32.068 -3.662 524 HA ASN 57 HA ASN 57 16.715 -34.907 -4.351 525 1HB ASN 57 2HB ASN 57 14.249 -34.442 -4.123 526 2HB ASN 57 3HB ASN 57 15.154 -34.380 -2.613 527 1HD2 ASN 57 1HD2 ASN 57 12.894 -32.847 -4.459 528 2HD2 ASN 57 2HD2 ASN 57 12.982 -31.269 -3.761 529 H LYS 58 H LYS 58 16.198 -31.553 -5.280 530 HA LYS 58 HA LYS 58 15.809 -30.554 -7.287 531 1HB LYS 58 2HB LYS 58 17.868 -32.076 -7.760 532 2HB LYS 58 3HB LYS 58 16.726 -33.055 -8.671 533 1HG LYS 58 2HG LYS 58 16.138 -30.968 -9.954 534 2HG LYS 58 3HG LYS 58 17.525 -30.203 -9.173 535 1HD LYS 58 2HD LYS 58 18.331 -30.980 -11.243 536 2HD LYS 58 3HD LYS 58 18.899 -32.157 -10.056 537 1HE LYS 58 2HE LYS 58 18.080 -33.567 -11.660 538 2HE LYS 58 3HE LYS 58 16.638 -33.361 -10.667 539 1HZ LYS 58 1HZ LYS 58 15.736 -31.841 -12.197 540 2HZ LYS 58 2HZ LYS 58 16.323 -33.122 -13.132 541 3HZ LYS 58 3HZ LYS 58 17.196 -31.676 -13.038 542 H ALA 59 H ALA 59 13.602 -31.779 -6.136 543 HA ALA 59 HA ALA 59 12.159 -33.527 -7.760 544 1HB ALA 59 1HB ALA 59 11.234 -33.278 -5.671 545 2HB ALA 59 2HB ALA 59 11.402 -31.522 -5.686 546 3HB ALA 59 3HB ALA 59 10.141 -32.295 -6.646 547 H GLU 60 H GLU 60 12.766 -30.124 -8.077 548 HA GLU 60 HA GLU 60 10.974 -30.045 -10.415 549 1HB GLU 60 2HB GLU 60 10.912 -27.560 -10.038 550 2HB GLU 60 3HB GLU 60 10.120 -28.519 -8.795 551 1HG GLU 60 2HG GLU 60 12.962 -27.674 -8.451 552 2HG GLU 60 3HG GLU 60 11.650 -26.545 -8.120 Start of MODEL 6 1 1H GLY -2 H GLY -3 16.127 -16.371 11.719 2 1HA GLY -2 2HA GLY -3 15.057 -13.773 12.520 3 2HA GLY -2 3HA GLY -3 15.538 -13.950 10.839 4 H SER -1 H SER -2 13.724 -14.057 9.684 5 HA SER -1 HA SER -2 11.833 -16.196 10.291 6 1HB SER -1 2HB SER -2 9.891 -14.767 10.125 7 2HB SER -1 3HB SER -2 10.959 -14.109 11.364 8 HG SER -1 HG SER -2 11.049 -12.349 10.240 9 H HIS 0 H HIS -1 10.350 -16.628 8.479 10 HA HIS 0 HA HIS -1 11.736 -16.766 6.029 11 1HB HIS 0 2HB HIS -1 8.797 -17.173 6.617 12 2HB HIS 0 3HB HIS -1 9.593 -17.622 5.112 13 HD1 HIS 0 1HD HIS -1 8.213 -19.431 7.527 14 HD2 HIS 0 2HD HIS -1 12.202 -19.153 6.399 15 HE1 HIS 0 1HE HIS -1 9.288 -21.557 8.331 16 H MET 1 H MET 1 9.350 -14.523 7.284 17 HA MET 1 HA MET 1 9.042 -13.177 4.740 18 1HB MET 1 2HB MET 1 8.069 -12.198 7.418 19 2HB MET 1 3HB MET 1 7.441 -11.798 5.825 20 1HG MET 1 2HG MET 1 6.912 -14.325 5.669 21 2HG MET 1 3HG MET 1 7.086 -14.293 7.422 22 1HE MET 1 1HE MET 1 5.299 -13.524 4.367 23 2HE MET 1 2HE MET 1 4.039 -14.489 5.139 24 3HE MET 1 3HE MET 1 3.761 -12.779 4.804 25 H VAL 2 H VAL 2 9.229 -10.690 4.814 26 HA VAL 2 HA VAL 2 11.957 -10.083 5.625 27 HB VAL 2 HB VAL 2 11.651 -7.998 4.326 28 1HG1 VAL 2 1HG1 VAL 2 11.172 -9.254 2.082 29 2HG1 VAL 2 2HG1 VAL 2 12.613 -9.637 3.026 30 3HG1 VAL 2 3HG1 VAL 2 11.197 -10.686 3.112 31 1HG2 VAL 2 1HG2 VAL 2 8.952 -9.133 3.602 32 2HG2 VAL 2 2HG2 VAL 2 9.208 -7.796 4.723 33 3HG2 VAL 2 3HG2 VAL 2 9.659 -7.623 3.027 34 H GLU 3 H GLU 3 12.490 -8.086 6.719 35 HA GLU 3 HA GLU 3 10.525 -7.457 8.792 36 1HB GLU 3 2HB GLU 3 12.388 -6.516 10.039 37 2HB GLU 3 3HB GLU 3 12.781 -8.143 9.501 38 1HG GLU 3 2HG GLU 3 14.020 -7.119 7.587 39 2HG GLU 3 3HG GLU 3 13.763 -5.548 8.345 40 H MET 4 H MET 4 12.219 -6.033 6.109 41 HA MET 4 HA MET 4 11.265 -3.358 6.805 42 1HB MET 4 2HB MET 4 13.643 -4.037 5.850 43 2HB MET 4 3HB MET 4 12.805 -3.904 4.309 44 1HG MET 4 2HG MET 4 12.163 -1.607 4.866 45 2HG MET 4 3HG MET 4 13.035 -1.745 6.392 46 1HE MET 4 1HE MET 4 15.425 -0.495 6.470 47 2HE MET 4 2HE MET 4 15.705 0.454 5.011 48 3HE MET 4 3HE MET 4 14.110 0.445 5.764 49 H ARG 5 H ARG 5 9.827 -2.201 5.560 50 HA ARG 5 HA ARG 5 8.880 -2.983 3.026 51 1HB ARG 5 2HB ARG 5 6.591 -3.703 3.679 52 2HB ARG 5 3HB ARG 5 7.843 -4.841 4.160 53 1HG ARG 5 2HG ARG 5 6.607 -4.792 6.068 54 2HG ARG 5 3HG ARG 5 7.737 -3.480 6.413 55 1HD ARG 5 2HD ARG 5 6.141 -1.888 6.257 56 2HD ARG 5 3HD ARG 5 5.294 -2.718 4.953 57 HE ARG 5 HE ARG 5 5.024 -4.073 7.451 58 1HH1 ARG 5 2HH1 ARG 5 3.817 -1.420 5.547 59 2HH1 ARG 5 1HH1 ARG 5 2.263 -1.408 6.312 60 1HH2 ARG 5 2HH2 ARG 5 2.982 -4.067 8.466 61 2HH2 ARG 5 1HH2 ARG 5 1.789 -2.913 7.972 62 H MET 6 H MET 6 7.490 -1.462 2.136 63 HA MET 6 HA MET 6 6.029 0.443 3.605 64 1HB MET 6 2HB MET 6 7.356 2.423 3.348 65 2HB MET 6 3HB MET 6 8.344 1.212 4.155 66 1HG MET 6 2HG MET 6 8.968 0.757 1.554 67 2HG MET 6 3HG MET 6 8.685 2.496 1.548 68 1HE MET 6 1HE MET 6 9.636 4.000 3.533 69 2HE MET 6 2HE MET 6 9.695 2.855 4.873 70 3HE MET 6 3HE MET 6 11.164 3.682 4.354 71 H LYS 7 H LYS 7 5.978 2.597 1.939 72 HA LYS 7 HA LYS 7 5.422 1.465 -0.721 73 1HB LYS 7 2HB LYS 7 3.455 3.045 -0.819 74 2HB LYS 7 3HB LYS 7 3.281 1.690 0.289 75 1HG LYS 7 2HG LYS 7 4.282 3.500 1.983 76 2HG LYS 7 3HG LYS 7 3.480 4.582 0.841 77 1HD LYS 7 2HD LYS 7 2.194 2.262 2.281 78 2HD LYS 7 3HD LYS 7 1.996 3.967 2.688 79 1HE LYS 7 2HE LYS 7 0.974 4.384 0.522 80 2HE LYS 7 3HE LYS 7 1.226 2.701 0.060 81 1HZ LYS 7 1HZ LYS 7 -0.826 3.865 1.713 82 2HZ LYS 7 2HZ LYS 7 -0.129 2.474 2.378 83 3HZ LYS 7 3HZ LYS 7 -0.832 2.415 0.840 84 H LYS 8 H LYS 8 4.924 3.419 -2.285 85 HA LYS 8 HA LYS 8 6.640 5.710 -1.730 86 1HB LYS 8 2HB LYS 8 8.076 3.964 -2.796 87 2HB LYS 8 3HB LYS 8 7.018 4.009 -4.201 88 1HG LYS 8 2HG LYS 8 7.561 6.442 -4.423 89 2HG LYS 8 3HG LYS 8 8.773 6.217 -3.160 90 1HD LYS 8 2HD LYS 8 9.930 6.029 -5.213 91 2HD LYS 8 3HD LYS 8 9.746 4.380 -4.608 92 1HE LYS 8 2HE LYS 8 7.516 4.536 -6.063 93 2HE LYS 8 3HE LYS 8 8.494 5.706 -6.947 94 1HZ LYS 8 1HZ LYS 8 9.126 2.853 -6.444 95 2HZ LYS 8 2HZ LYS 8 10.239 3.956 -7.083 96 3HZ LYS 8 3HZ LYS 8 8.824 3.593 -7.936 97 H CYS 9 H CYS 9 6.203 7.527 -3.020 98 HA CYS 9 HA CYS 9 3.512 7.699 -3.949 99 1HB CYS 9 2HB CYS 9 4.711 9.582 -2.857 100 2HB CYS 9 3HB CYS 9 5.758 9.701 -4.266 101 HA PRO 10 HA PRO 10 4.451 6.254 -8.070 102 1HB PRO 10 2HB PRO 10 1.898 6.404 -8.981 103 2HB PRO 10 3HB PRO 10 2.474 5.088 -7.951 104 1HG PRO 10 2HG PRO 10 0.923 7.538 -7.205 105 2HG PRO 10 3HG PRO 10 0.700 5.864 -6.664 106 1HD PRO 10 2HD PRO 10 1.968 7.725 -5.160 107 2HD PRO 10 3HD PRO 10 2.403 6.004 -5.117 108 H LYS 11 H LYS 11 3.469 9.305 -7.030 109 HA LYS 11 HA LYS 11 3.288 10.418 -9.727 110 1HB LYS 11 2HB LYS 11 2.326 11.187 -7.091 111 2HB LYS 11 3HB LYS 11 3.125 12.521 -7.912 112 1HG LYS 11 2HG LYS 11 0.788 12.605 -8.404 113 2HG LYS 11 3HG LYS 11 1.652 12.134 -9.869 114 1HD LYS 11 2HD LYS 11 1.115 9.761 -9.351 115 2HD LYS 11 3HD LYS 11 0.139 10.319 -7.991 116 1HE LYS 11 2HE LYS 11 -0.335 11.321 -10.780 117 2HE LYS 11 3HE LYS 11 -1.048 9.812 -10.212 118 1HZ LYS 11 1HZ LYS 11 -2.463 11.851 -9.968 119 2HZ LYS 11 2HZ LYS 11 -1.384 12.383 -8.779 120 3HZ LYS 11 3HZ LYS 11 -2.251 10.948 -8.553 121 H CYS 12 H CYS 12 5.235 10.712 -6.780 122 HA CYS 12 HA CYS 12 7.242 12.210 -8.324 123 1HB CYS 12 2HB CYS 12 7.164 11.973 -5.320 124 2HB CYS 12 3HB CYS 12 8.016 13.164 -6.298 125 H GLY 13 H GLY 13 7.073 9.793 -5.698 126 1HA GLY 13 2HA GLY 13 8.191 7.626 -6.176 127 2HA GLY 13 3HA GLY 13 9.513 8.574 -6.839 128 H LEU 14 H LEU 14 7.795 9.489 -3.932 129 HA LEU 14 HA LEU 14 10.288 9.199 -2.433 130 1HB LEU 14 2HB LEU 14 9.510 11.327 -2.073 131 2HB LEU 14 3HB LEU 14 7.819 10.833 -2.131 132 HG LEU 14 HG LEU 14 8.065 9.845 0.119 133 1HD1 LEU 14 1HD1 LEU 14 9.999 9.982 1.382 134 2HD1 LEU 14 2HD1 LEU 14 10.695 11.246 0.368 135 3HD1 LEU 14 3HD1 LEU 14 10.615 9.586 -0.223 136 1HD2 LEU 14 1HD2 LEU 14 7.801 11.847 1.249 137 2HD2 LEU 14 2HD2 LEU 14 7.436 12.301 -0.415 138 3HD2 LEU 14 3HD2 LEU 14 9.015 12.677 0.276 139 H TYR 15 H TYR 15 10.575 7.698 -0.911 140 HA TYR 15 HA TYR 15 8.502 5.746 -0.453 141 1HB TYR 15 2HB TYR 15 11.383 5.993 0.363 142 2HB TYR 15 3HB TYR 15 10.345 4.774 1.095 143 HD1 TYR 15 1HD TYR 15 12.080 5.816 -1.946 144 HD2 TYR 15 2HD TYR 15 9.486 2.911 -0.233 145 HE1 TYR 15 1HE TYR 15 12.497 4.326 -3.858 146 HE2 TYR 15 2HE TYR 15 9.897 1.412 -2.139 147 HH TYR 15 HH TYR 15 11.220 2.393 -4.997 148 H THR 16 H THR 16 7.527 5.247 1.504 149 HA THR 16 HA THR 16 8.098 6.489 3.965 150 HB THR 16 HB THR 16 7.226 8.498 2.787 151 HG1 THR 16 1HG THR 16 5.961 9.103 4.518 152 1HG2 THR 16 1HG2 THR 16 5.514 6.994 1.495 153 2HG2 THR 16 2HG2 THR 16 5.088 8.651 1.923 154 3HG2 THR 16 3HG2 THR 16 4.486 7.307 2.893 155 H LEU 17 H LEU 17 5.955 6.380 5.415 156 HA LEU 17 HA LEU 17 4.529 3.897 4.739 157 1HB LEU 17 2HB LEU 17 5.875 4.621 7.329 158 2HB LEU 17 3HB LEU 17 4.638 3.370 7.218 159 HG LEU 17 HG LEU 17 6.918 3.092 5.365 160 1HD1 LEU 17 1HD1 LEU 17 8.491 3.370 6.916 161 2HD1 LEU 17 2HD1 LEU 17 7.887 1.881 7.640 162 3HD1 LEU 17 3HD1 LEU 17 7.309 3.442 8.222 163 1HD2 LEU 17 1HD2 LEU 17 5.430 1.322 5.289 164 2HD2 LEU 17 2HD2 LEU 17 5.155 1.341 7.031 165 3HD2 LEU 17 3HD2 LEU 17 6.675 0.720 6.384 166 H LYS 18 H LYS 18 4.206 7.066 5.244 167 HA LYS 18 HA LYS 18 1.946 7.074 7.038 168 1HB LYS 18 2HB LYS 18 3.244 9.194 5.332 169 2HB LYS 18 3HB LYS 18 1.784 9.499 6.265 170 1HG LYS 18 2HG LYS 18 4.184 8.366 7.625 171 2HG LYS 18 3HG LYS 18 4.122 10.089 7.244 172 1HD LYS 18 2HD LYS 18 3.053 10.295 9.203 173 2HD LYS 18 3HD LYS 18 1.653 9.646 8.345 174 1HE LYS 18 2HE LYS 18 1.657 8.067 9.934 175 2HE LYS 18 3HE LYS 18 3.003 7.374 9.030 176 1HZ LYS 18 1HZ LYS 18 2.987 8.575 11.621 177 2HZ LYS 18 2HZ LYS 18 4.157 9.271 10.618 178 3HZ LYS 18 3HZ LYS 18 4.165 7.603 10.894 179 H GLU 19 H GLU 19 2.291 6.030 3.967 180 HA GLU 19 HA GLU 19 0.844 5.538 2.283 181 1HB GLU 19 2HB GLU 19 -1.304 6.398 4.228 182 2HB GLU 19 3HB GLU 19 -1.534 5.423 2.784 183 1HG GLU 19 2HG GLU 19 0.354 3.996 4.148 184 2HG GLU 19 3HG GLU 19 -0.638 4.652 5.449 185 H ILE 20 H ILE 20 1.645 8.463 3.129 186 HA ILE 20 HA ILE 20 0.180 9.700 0.925 187 HB ILE 20 HB ILE 20 0.395 10.990 3.649 188 1HG1 ILE 20 2HG1 ILE 20 -1.314 9.171 3.466 189 2HG1 ILE 20 3HG1 ILE 20 -2.000 10.758 3.797 190 1HG2 ILE 20 1HG2 ILE 20 -0.492 11.973 0.972 191 2HG2 ILE 20 2HG2 ILE 20 -1.225 12.627 2.435 192 3HG2 ILE 20 3HG2 ILE 20 0.514 12.767 2.183 193 1HD1 ILE 20 1HD1 ILE 20 -1.888 10.361 0.977 194 2HD1 ILE 20 2HD1 ILE 20 -2.666 8.972 1.736 195 3HD1 ILE 20 3HD1 ILE 20 -3.293 10.596 2.017 196 H CYS 21 H CYS 21 1.296 11.324 -0.131 197 HA CYS 21 HA CYS 21 4.151 11.397 0.410 198 1HB CYS 21 2HB CYS 21 3.420 11.015 -1.890 199 2HB CYS 21 3HB CYS 21 2.535 12.535 -1.879 200 HA PRO 22 HA PRO 22 3.512 15.238 2.636 201 1HB PRO 22 2HB PRO 22 6.082 15.447 3.487 202 2HB PRO 22 3HB PRO 22 4.901 14.378 4.253 203 1HG PRO 22 2HG PRO 22 7.034 13.724 2.257 204 2HG PRO 22 3HG PRO 22 6.555 12.835 3.714 205 1HD PRO 22 2HD PRO 22 5.753 12.106 1.234 206 2HD PRO 22 3HD PRO 22 4.747 11.855 2.675 207 H LYS 23 H LYS 23 5.295 14.571 -0.149 208 HA LYS 23 HA LYS 23 6.535 17.168 -0.404 209 1HB LYS 23 2HB LYS 23 6.943 14.655 -1.556 210 2HB LYS 23 3HB LYS 23 6.347 15.657 -2.873 211 1HG LYS 23 2HG LYS 23 8.687 15.837 -2.933 212 2HG LYS 23 3HG LYS 23 8.112 17.343 -2.217 213 1HD LYS 23 2HD LYS 23 9.290 16.968 -0.367 214 2HD LYS 23 3HD LYS 23 8.546 15.379 -0.166 215 1HE LYS 23 2HE LYS 23 10.947 16.032 -1.872 216 2HE LYS 23 3HE LYS 23 10.964 15.182 -0.328 217 1HZ LYS 23 1HZ LYS 23 9.896 14.248 -2.921 218 2HZ LYS 23 2HZ LYS 23 9.438 13.522 -1.463 219 3HZ LYS 23 3HZ LYS 23 11.062 13.516 -1.938 220 H CYS 24 H CYS 24 4.129 15.408 -2.369 221 HA CYS 24 HA CYS 24 3.092 17.990 -3.293 222 1HB CYS 24 2HB CYS 24 1.989 16.715 -5.069 223 2HB CYS 24 3HB CYS 24 3.712 16.365 -5.029 224 H GLY 25 H GLY 25 2.147 15.031 -1.644 225 1HA GLY 25 2HA GLY 25 0.482 15.146 0.101 226 2HA GLY 25 3HA GLY 25 -0.342 16.385 -0.833 227 H GLU 26 H GLU 26 0.921 13.499 -2.330 228 HA GLU 26 HA GLU 26 -1.849 12.617 -2.805 229 1HB GLU 26 2HB GLU 26 -0.814 13.210 -4.874 230 2HB GLU 26 3HB GLU 26 0.646 12.316 -4.474 231 1HG GLU 26 2HG GLU 26 -0.876 11.240 -6.155 232 2HG GLU 26 3HG GLU 26 -0.421 10.238 -4.778 233 H LYS 27 H LYS 27 -2.448 10.559 -2.348 234 HA LYS 27 HA LYS 27 -1.193 9.096 -0.386 235 1HB LYS 27 2HB LYS 27 -3.475 8.637 -0.880 236 2HB LYS 27 3HB LYS 27 -3.106 8.229 -2.550 237 1HG LYS 27 2HG LYS 27 -2.362 6.137 -2.025 238 2HG LYS 27 3HG LYS 27 -1.855 6.606 -0.399 239 1HD LYS 27 2HD LYS 27 -3.758 5.190 -0.169 240 2HD LYS 27 3HD LYS 27 -4.285 6.837 0.187 241 1HE LYS 27 2HE LYS 27 -5.939 5.802 -1.201 242 2HE LYS 27 3HE LYS 27 -5.093 7.015 -2.161 243 1HZ LYS 27 1HZ LYS 27 -3.885 4.422 -2.328 244 2HZ LYS 27 2HZ LYS 27 -4.361 5.471 -3.566 245 3HZ LYS 27 3HZ LYS 27 -5.489 4.422 -2.867 246 H THR 28 H THR 28 0.172 7.330 -0.317 247 HA THR 28 HA THR 28 1.889 7.015 -2.656 248 HB THR 28 HB THR 28 3.169 5.515 -0.900 249 HG1 THR 28 1HG THR 28 2.798 6.534 1.230 250 1HG2 THR 28 1HG2 THR 28 3.397 8.339 -0.120 251 2HG2 THR 28 2HG2 THR 28 3.491 8.042 -1.855 252 3HG2 THR 28 3HG2 THR 28 4.615 7.238 -0.760 253 H VAL 29 H VAL 29 2.619 4.859 -3.292 254 HA VAL 29 HA VAL 29 0.716 2.707 -2.684 255 HB VAL 29 HB VAL 29 0.499 2.079 -4.999 256 1HG1 VAL 29 1HG1 VAL 29 -0.063 4.985 -4.459 257 2HG1 VAL 29 2HG1 VAL 29 -0.631 4.147 -5.904 258 3HG1 VAL 29 3HG1 VAL 29 -1.165 3.617 -4.308 259 1HG2 VAL 29 1HG2 VAL 29 1.448 4.013 -6.617 260 2HG2 VAL 29 2HG2 VAL 29 2.680 4.032 -5.354 261 3HG2 VAL 29 3HG2 VAL 29 2.337 2.539 -6.229 262 H ILE 30 H ILE 30 1.516 0.578 -3.088 263 HA ILE 30 HA ILE 30 4.217 0.217 -2.368 264 HB ILE 30 HB ILE 30 2.438 -1.863 -3.636 265 1HG1 ILE 30 2HG1 ILE 30 1.221 -0.838 -1.800 266 2HG1 ILE 30 3HG1 ILE 30 1.773 -2.438 -1.315 267 1HG2 ILE 30 1HG2 ILE 30 5.059 -2.043 -3.000 268 2HG2 ILE 30 2HG2 ILE 30 4.319 -2.560 -1.486 269 3HG2 ILE 30 3HG2 ILE 30 3.941 -3.406 -2.986 270 1HD1 ILE 30 1HD1 ILE 30 2.205 0.042 -0.035 271 2HD1 ILE 30 2HD1 ILE 30 2.759 -1.560 0.453 272 3HD1 ILE 30 3HD1 ILE 30 3.767 -0.557 -0.590 273 HA PRO 31 HA PRO 31 5.894 0.814 -6.483 274 1HB PRO 31 2HB PRO 31 8.490 0.666 -5.705 275 2HB PRO 31 3HB PRO 31 7.504 2.117 -5.489 276 1HG PRO 31 2HG PRO 31 8.193 -0.017 -3.506 277 2HG PRO 31 3HG PRO 31 8.161 1.743 -3.290 278 1HD PRO 31 2HD PRO 31 6.151 0.135 -2.449 279 2HD PRO 31 3HD PRO 31 5.873 1.794 -3.017 280 H LYS 32 H LYS 32 7.271 -1.593 -4.239 281 HA LYS 32 HA LYS 32 8.414 -3.259 -6.168 282 1HB LYS 32 2HB LYS 32 8.567 -4.922 -4.451 283 2HB LYS 32 3HB LYS 32 8.832 -3.353 -3.701 284 1HG LYS 32 2HG LYS 32 6.054 -3.939 -3.587 285 2HG LYS 32 3HG LYS 32 6.951 -5.344 -3.006 286 1HD LYS 32 2HD LYS 32 7.529 -2.550 -2.051 287 2HD LYS 32 3HD LYS 32 6.328 -3.585 -1.277 288 1HE LYS 32 2HE LYS 32 7.895 -4.819 -0.260 289 2HE LYS 32 3HE LYS 32 8.886 -4.915 -1.715 290 1HZ LYS 32 1HZ LYS 32 8.815 -2.350 -0.329 291 2HZ LYS 32 2HZ LYS 32 10.098 -3.119 -1.120 292 3HZ LYS 32 3HZ LYS 32 9.651 -3.605 0.437 293 HA PRO 33 HA PRO 33 5.072 -5.379 -8.068 294 1HB PRO 33 2HB PRO 33 6.187 -7.812 -8.520 295 2HB PRO 33 3HB PRO 33 6.633 -6.367 -9.434 296 1HG PRO 33 2HG PRO 33 8.035 -7.651 -7.122 297 2HG PRO 33 3HG PRO 33 8.719 -6.988 -8.617 298 1HD PRO 33 2HD PRO 33 8.748 -5.632 -6.274 299 2HD PRO 33 3HD PRO 33 8.622 -4.818 -7.846 300 HA PRO 34 HA PRO 34 2.805 -7.852 -5.225 301 1HB PRO 34 2HB PRO 34 1.543 -9.627 -6.846 302 2HB PRO 34 3HB PRO 34 1.105 -7.916 -6.770 303 1HG PRO 34 2HG PRO 34 2.803 -9.349 -8.775 304 2HG PRO 34 3HG PRO 34 1.555 -8.118 -9.042 305 1HD PRO 34 2HD PRO 34 4.199 -7.538 -9.067 306 2HD PRO 34 3HD PRO 34 2.973 -6.381 -8.509 307 H LYS 35 H LYS 35 2.182 -10.338 -4.886 308 HA LYS 35 HA LYS 35 4.747 -11.748 -4.755 309 1HB LYS 35 2HB LYS 35 2.166 -12.403 -3.327 310 2HB LYS 35 3HB LYS 35 3.751 -13.095 -3.010 311 1HG LYS 35 2HG LYS 35 3.844 -11.570 -1.379 312 2HG LYS 35 3HG LYS 35 4.261 -10.452 -2.680 313 1HD LYS 35 2HD LYS 35 1.595 -10.335 -2.859 314 2HD LYS 35 3HD LYS 35 1.743 -10.734 -1.146 315 1HE LYS 35 2HE LYS 35 3.471 -8.577 -2.241 316 2HE LYS 35 3HE LYS 35 1.758 -8.230 -2.006 317 1HZ LYS 35 1HZ LYS 35 2.401 -9.405 0.314 318 2HZ LYS 35 2HZ LYS 35 2.405 -7.733 0.064 319 3HZ LYS 35 3HZ LYS 35 3.849 -8.607 -0.047 320 H PHE 36 H PHE 36 1.641 -11.869 -6.250 321 HA PHE 36 HA PHE 36 2.225 -14.562 -7.290 322 1HB PHE 36 2HB PHE 36 -0.278 -14.506 -7.896 323 2HB PHE 36 3HB PHE 36 0.151 -14.709 -6.200 324 HD1 PHE 36 1HD PHE 36 -1.423 -12.569 -8.666 325 HD2 PHE 36 2HD PHE 36 -0.114 -12.840 -4.625 326 HE1 PHE 36 1HE PHE 36 -2.806 -10.617 -8.091 327 HE2 PHE 36 2HE PHE 36 -1.497 -10.889 -4.043 328 HZ PHE 36 HZ PHE 36 -2.846 -9.776 -5.777 329 H SER 37 H SER 37 3.101 -14.492 -9.245 330 HA SER 37 HA SER 37 1.798 -13.241 -11.433 331 1HB SER 37 2HB SER 37 3.111 -11.350 -10.167 332 2HB SER 37 3HB SER 37 4.512 -12.058 -10.969 333 HG SER 37 HG SER 37 3.090 -10.298 -12.031 334 H LEU 38 H LEU 38 3.272 -13.347 -13.451 335 HA LEU 38 HA LEU 38 4.372 -16.017 -13.527 336 1HB LEU 38 2HB LEU 38 4.026 -13.914 -15.656 337 2HB LEU 38 3HB LEU 38 4.661 -15.530 -15.954 338 HG LEU 38 HG LEU 38 1.923 -15.074 -14.798 339 1HD1 LEU 38 1HD1 LEU 38 1.038 -14.585 -16.784 340 2HD1 LEU 38 2HD1 LEU 38 2.022 -15.789 -17.615 341 3HD1 LEU 38 3HD1 LEU 38 2.681 -14.186 -17.289 342 1HD2 LEU 38 1HD2 LEU 38 3.540 -17.365 -15.585 343 2HD2 LEU 38 2HD2 LEU 38 1.938 -17.360 -16.325 344 3HD2 LEU 38 3HD2 LEU 38 2.100 -17.288 -14.570 345 H GLU 39 H GLU 39 5.542 -12.745 -13.455 346 HA GLU 39 HA GLU 39 8.130 -13.148 -14.465 347 1HB GLU 39 2HB GLU 39 6.909 -11.125 -12.619 348 2HB GLU 39 3HB GLU 39 8.645 -11.128 -12.897 349 1HG GLU 39 2HG GLU 39 6.667 -11.037 -15.149 350 2HG GLU 39 3HG GLU 39 7.238 -9.582 -14.333 351 H ASP 40 H ASP 40 6.688 -14.016 -11.462 352 HA ASP 40 HA ASP 40 8.823 -14.084 -9.714 353 1HB ASP 40 2HB ASP 40 6.424 -15.876 -10.017 354 2HB ASP 40 3HB ASP 40 7.613 -16.149 -8.747 355 H ARG 41 H ARG 41 10.092 -15.954 -8.964 356 HA ARG 41 HA ARG 41 11.742 -16.988 -10.919 357 1HB ARG 41 2HB ARG 41 12.468 -16.974 -8.639 358 2HB ARG 41 3HB ARG 41 11.136 -18.010 -8.146 359 1HG ARG 41 2HG ARG 41 13.179 -19.279 -8.204 360 2HG ARG 41 3HG ARG 41 12.098 -19.841 -9.482 361 1HD ARG 41 2HD ARG 41 14.066 -17.713 -10.144 362 2HD ARG 41 3HD ARG 41 14.665 -19.357 -9.925 363 HE ARG 41 HE ARG 41 12.544 -19.624 -11.622 364 1HH1 ARG 41 2HH1 ARG 41 15.482 -17.757 -11.628 365 2HH1 ARG 41 1HH1 ARG 41 15.624 -17.744 -13.355 366 1HH2 ARG 41 2HH2 ARG 41 12.720 -19.615 -13.895 367 2HH2 ARG 41 1HH2 ARG 41 14.052 -18.801 -14.644 368 H TRP 42 H TRP 42 9.586 -19.076 -9.001 369 HA TRP 42 HA TRP 42 9.411 -20.898 -11.278 370 1HB TRP 42 2HB TRP 42 8.901 -21.147 -8.337 371 2HB TRP 42 3HB TRP 42 8.130 -22.281 -9.443 372 HD1 TRP 42 1HD TRP 42 10.243 -23.180 -11.375 373 HE1 TRP 42 1HE TRP 42 12.433 -24.319 -10.645 374 HE3 TRP 42 3HE TRP 42 10.436 -21.545 -6.535 375 HZ2 TRP 42 2HZ TRP 42 14.030 -24.501 -8.326 376 HZ3 TRP 42 3HZ TRP 42 12.327 -22.248 -5.127 377 HH2 TRP 42 2HH TRP 42 14.086 -23.696 -6.006 378 H GLY 43 H GLY 43 7.520 -18.598 -9.525 379 1HA GLY 43 2HA GLY 43 5.432 -17.736 -9.964 380 2HA GLY 43 3HA GLY 43 5.436 -18.661 -11.459 381 H LYS 44 H LYS 44 4.684 -20.839 -11.424 382 HA LYS 44 HA LYS 44 2.333 -21.263 -10.044 383 1HB LYS 44 2HB LYS 44 2.440 -23.558 -10.788 384 2HB LYS 44 3HB LYS 44 3.059 -22.515 -12.063 385 1HG LYS 44 2HG LYS 44 5.367 -23.050 -11.259 386 2HG LYS 44 3HG LYS 44 4.643 -24.247 -10.182 387 1HD LYS 44 2HD LYS 44 4.050 -24.270 -13.120 388 2HD LYS 44 3HD LYS 44 5.524 -25.011 -12.491 389 1HE LYS 44 2HE LYS 44 2.761 -25.669 -11.487 390 2HE LYS 44 3HE LYS 44 3.572 -26.568 -12.768 391 1HZ LYS 44 1HZ LYS 44 4.490 -26.265 -9.961 392 2HZ LYS 44 2HZ LYS 44 5.389 -27.013 -11.182 393 3HZ LYS 44 3HZ LYS 44 3.913 -27.678 -10.692 394 H TYR 45 H TYR 45 5.610 -21.928 -9.058 395 HA TYR 45 HA TYR 45 5.212 -23.756 -7.013 396 1HB TYR 45 2HB TYR 45 7.441 -23.150 -7.721 397 2HB TYR 45 3HB TYR 45 7.200 -21.486 -7.201 398 HD1 TYR 45 1HD TYR 45 7.333 -24.974 -5.899 399 HD2 TYR 45 2HD TYR 45 7.830 -20.833 -5.053 400 HE1 TYR 45 1HE TYR 45 8.245 -25.541 -3.686 401 HE2 TYR 45 2HE TYR 45 8.746 -21.390 -2.838 402 HH TYR 45 HH TYR 45 9.065 -23.029 -1.337 403 H ARG 46 H ARG 46 4.455 -20.372 -7.146 404 HA ARG 46 HA ARG 46 4.352 -19.662 -4.482 405 1HB ARG 46 2HB ARG 46 2.793 -17.953 -5.105 406 2HB ARG 46 3HB ARG 46 3.922 -18.158 -6.437 407 1HG ARG 46 2HG ARG 46 2.063 -18.176 -7.685 408 2HG ARG 46 3HG ARG 46 1.966 -19.864 -7.182 409 1HD ARG 46 2HD ARG 46 0.312 -19.441 -5.624 410 2HD ARG 46 3HD ARG 46 0.748 -17.739 -5.474 411 HE ARG 46 HE ARG 46 -0.193 -18.266 -8.081 412 1HH1 ARG 46 2HH1 ARG 46 -1.307 -17.961 -4.798 413 2HH1 ARG 46 1HH1 ARG 46 -2.898 -17.443 -5.248 414 1HH2 ARG 46 2HH2 ARG 46 -2.284 -17.584 -8.687 415 2HH2 ARG 46 1HH2 ARG 46 -3.453 -17.230 -7.461 416 H ARG 47 H ARG 47 2.135 -21.646 -6.327 417 HA ARG 47 HA ARG 47 -0.066 -21.651 -4.620 418 1HB ARG 47 2HB ARG 47 1.018 -23.507 -6.673 419 2HB ARG 47 3HB ARG 47 -0.187 -24.154 -5.567 420 1HG ARG 47 2HG ARG 47 -0.671 -21.589 -7.027 421 2HG ARG 47 3HG ARG 47 -0.964 -23.148 -7.800 422 1HD ARG 47 2HD ARG 47 -2.369 -23.714 -5.751 423 2HD ARG 47 3HD ARG 47 -2.277 -21.999 -5.353 424 HE ARG 47 HE ARG 47 -3.143 -22.102 -7.958 425 1HH1 ARG 47 2HH1 ARG 47 -4.249 -23.327 -4.892 426 2HH1 ARG 47 1HH1 ARG 47 -5.925 -23.275 -5.328 427 1HH2 ARG 47 2HH2 ARG 47 -5.347 -22.029 -8.543 428 2HH2 ARG 47 1HH2 ARG 47 -6.548 -22.537 -7.405 429 H MET 48 H MET 48 2.970 -23.395 -4.432 430 HA MET 48 HA MET 48 2.043 -24.809 -2.037 431 1HB MET 48 2HB MET 48 4.318 -25.226 -3.945 432 2HB MET 48 3HB MET 48 4.390 -25.915 -2.328 433 1HG MET 48 2HG MET 48 3.495 -27.656 -3.503 434 2HG MET 48 3HG MET 48 2.034 -26.852 -2.937 435 1HE MET 48 1HE MET 48 0.221 -27.410 -4.565 436 2HE MET 48 2HE MET 48 0.496 -27.717 -6.281 437 3HE MET 48 3HE MET 48 1.296 -28.715 -5.065 438 H LEU 49 H LEU 49 2.762 -21.909 -2.212 439 HA LEU 49 HA LEU 49 5.071 -21.846 -0.397 440 1HB LEU 49 2HB LEU 49 4.836 -20.412 -2.562 441 2HB LEU 49 3HB LEU 49 3.794 -19.406 -1.558 442 HG LEU 49 HG LEU 49 6.541 -20.075 -0.598 443 1HD1 LEU 49 1HD1 LEU 49 7.272 -17.931 -1.740 444 2HD1 LEU 49 2HD1 LEU 49 5.843 -18.107 -2.756 445 3HD1 LEU 49 3HD1 LEU 49 7.090 -19.353 -2.767 446 1HD2 LEU 49 1HD2 LEU 49 4.394 -18.466 0.264 447 2HD2 LEU 49 2HD2 LEU 49 5.682 -17.373 -0.244 448 3HD2 LEU 49 3HD2 LEU 49 6.003 -18.608 0.974 449 H LYS 50 H LYS 50 1.667 -21.192 -0.628 450 HA LYS 50 HA LYS 50 1.261 -19.508 1.539 451 1HB LYS 50 2HB LYS 50 -1.012 -20.521 1.663 452 2HB LYS 50 3HB LYS 50 -0.547 -20.033 0.038 453 1HG LYS 50 2HG LYS 50 0.173 -22.469 -0.281 454 2HG LYS 50 3HG LYS 50 -0.769 -22.794 1.177 455 1HD LYS 50 2HD LYS 50 -2.068 -21.193 -0.956 456 2HD LYS 50 3HD LYS 50 -1.823 -22.913 -1.270 457 1HE LYS 50 2HE LYS 50 -3.869 -22.993 -0.260 458 2HE LYS 50 3HE LYS 50 -2.832 -23.141 1.159 459 1HZ LYS 50 1HZ LYS 50 -3.130 -20.445 0.788 460 2HZ LYS 50 2HZ LYS 50 -3.914 -21.389 1.952 461 3HZ LYS 50 3HZ LYS 50 -4.669 -21.070 0.473 462 H ARG 51 H ARG 51 0.039 -20.264 3.591 463 HA ARG 51 HA ARG 51 1.587 -22.466 4.790 464 1HB ARG 51 2HB ARG 51 1.030 -21.244 6.978 465 2HB ARG 51 3HB ARG 51 2.238 -20.521 5.925 466 1HG ARG 51 2HG ARG 51 0.510 -19.000 5.038 467 2HG ARG 51 3HG ARG 51 -0.644 -19.690 6.182 468 1HD ARG 51 2HD ARG 51 1.953 -18.379 6.973 469 2HD ARG 51 3HD ARG 51 0.399 -17.547 6.928 470 HE ARG 51 HE ARG 51 1.313 -19.423 8.915 471 1HH1 ARG 51 2HH1 ARG 51 -1.453 -17.911 7.436 472 2HH1 ARG 51 1HH1 ARG 51 -2.487 -18.165 8.804 473 1HH2 ARG 51 2HH2 ARG 51 -0.038 -19.763 10.721 474 2HH2 ARG 51 1HH2 ARG 51 -1.681 -19.218 10.672 475 H ALA 52 H ALA 52 0.544 -24.028 5.955 476 HA ALA 52 HA ALA 52 -2.374 -23.805 6.232 477 1HB ALA 52 1HB ALA 52 -2.698 -26.058 5.441 478 2HB ALA 52 2HB ALA 52 -1.837 -25.129 4.213 479 3HB ALA 52 3HB ALA 52 -0.960 -26.272 5.230 480 H LEU 53 H LEU 53 -3.049 -24.266 8.221 481 HA LEU 53 HA LEU 53 -1.468 -26.098 9.881 482 1HB LEU 53 2HB LEU 53 -0.734 -24.040 10.699 483 2HB LEU 53 3HB LEU 53 -2.327 -23.305 10.537 484 HG LEU 53 HG LEU 53 -2.162 -25.526 12.463 485 1HD1 LEU 53 1HD1 LEU 53 -0.011 -24.524 12.902 486 2HD1 LEU 53 2HD1 LEU 53 -1.134 -24.104 14.195 487 3HD1 LEU 53 3HD1 LEU 53 -0.735 -22.916 12.954 488 1HD2 LEU 53 1HD2 LEU 53 -3.266 -23.447 13.750 489 2HD2 LEU 53 2HD2 LEU 53 -4.170 -24.510 12.671 490 3HD2 LEU 53 3HD2 LEU 53 -3.570 -22.959 12.083 491 H LYS 54 H LYS 54 -2.670 -27.603 10.840 492 HA LYS 54 HA LYS 54 -5.458 -27.042 11.503 493 1HB LYS 54 2HB LYS 54 -5.100 -28.180 9.152 494 2HB LYS 54 3HB LYS 54 -4.869 -29.629 10.121 495 1HG LYS 54 2HG LYS 54 -7.112 -29.741 9.679 496 2HG LYS 54 3HG LYS 54 -7.116 -28.898 11.229 497 1HD LYS 54 2HD LYS 54 -8.596 -27.664 9.901 498 2HD LYS 54 3HD LYS 54 -7.091 -26.743 9.839 499 1HE LYS 54 2HE LYS 54 -7.638 -26.777 7.617 500 2HE LYS 54 3HE LYS 54 -6.653 -28.235 7.718 501 1HZ LYS 54 1HZ LYS 54 -9.303 -28.011 6.885 502 2HZ LYS 54 2HZ LYS 54 -9.314 -28.889 8.331 503 3HZ LYS 54 3HZ LYS 54 -8.374 -29.418 7.027 504 H ASN 55 H ASN 55 -5.409 -27.385 13.635 505 HA ASN 55 HA ASN 55 -5.194 -28.432 15.643 506 1HB ASN 55 2HB ASN 55 -6.294 -30.283 14.194 507 2HB ASN 55 3HB ASN 55 -4.698 -31.028 14.210 508 1HD2 ASN 55 1HD2 ASN 55 -6.707 -29.356 16.614 509 2HD2 ASN 55 2HD2 ASN 55 -6.605 -30.598 17.810 510 H LYS 56 H LYS 56 -2.889 -27.266 14.497 511 HA LYS 56 HA LYS 56 -0.665 -29.063 14.921 512 1HB LYS 56 2HB LYS 56 -0.978 -26.852 13.379 513 2HB LYS 56 3HB LYS 56 -0.162 -26.155 14.772 514 1HG LYS 56 2HG LYS 56 0.971 -28.637 13.613 515 2HG LYS 56 3HG LYS 56 1.163 -27.135 12.705 516 1HD LYS 56 2HD LYS 56 1.762 -26.971 15.587 517 2HD LYS 56 3HD LYS 56 2.864 -27.967 14.633 518 1HE LYS 56 2HE LYS 56 3.445 -26.159 13.236 519 2HE LYS 56 3HE LYS 56 2.093 -25.182 13.806 520 1HZ LYS 56 1HZ LYS 56 4.647 -25.064 14.731 521 2HZ LYS 56 2HZ LYS 56 3.856 -25.971 15.920 522 3HZ LYS 56 3HZ LYS 56 3.285 -24.432 15.511 523 H ASN 57 H ASN 57 -2.545 -26.899 16.801 524 HA ASN 57 HA ASN 57 -0.548 -26.363 18.794 525 1HB ASN 57 2HB ASN 57 -2.733 -25.025 18.173 526 2HB ASN 57 3HB ASN 57 -3.479 -26.106 19.345 527 1HD2 ASN 57 1HD2 ASN 57 -0.462 -24.248 19.088 528 2HD2 ASN 57 2HD2 ASN 57 -0.563 -23.546 20.664 529 H LYS 58 H LYS 58 -2.901 -28.835 18.202 530 HA LYS 58 HA LYS 58 -3.432 -30.764 19.283 531 1HB LYS 58 2HB LYS 58 -0.890 -30.389 20.862 532 2HB LYS 58 3HB LYS 58 -1.699 -31.899 20.462 533 1HG LYS 58 2HG LYS 58 -1.154 -31.564 18.101 534 2HG LYS 58 3HG LYS 58 -0.330 -30.057 18.511 535 1HD LYS 58 2HD LYS 58 0.444 -32.648 19.810 536 2HD LYS 58 3HD LYS 58 1.081 -32.198 18.227 537 1HE LYS 58 2HE LYS 58 1.244 -30.359 20.598 538 2HE LYS 58 3HE LYS 58 2.473 -31.582 20.279 539 1HZ LYS 58 1HZ LYS 58 3.407 -29.983 19.054 540 2HZ LYS 58 2HZ LYS 58 1.987 -29.073 18.945 541 3HZ LYS 58 3HZ LYS 58 2.242 -30.370 17.890 542 H ALA 59 H ALA 59 -4.615 -28.472 20.303 543 HA ALA 59 HA ALA 59 -4.585 -28.907 23.215 544 1HB ALA 59 1HB ALA 59 -4.540 -26.539 21.676 545 2HB ALA 59 2HB ALA 59 -6.098 -26.599 22.500 546 3HB ALA 59 3HB ALA 59 -4.603 -26.701 23.431 547 H GLU 60 H GLU 60 -6.327 -29.725 24.202 548 HA GLU 60 HA GLU 60 -8.599 -30.504 22.581 549 1HB GLU 60 2HB GLU 60 -7.368 -31.881 24.447 550 2HB GLU 60 3HB GLU 60 -8.429 -30.991 25.529 551 1HG GLU 60 2HG GLU 60 -9.496 -33.040 25.070 552 2HG GLU 60 3HG GLU 60 -10.358 -31.809 24.148 Start of MODEL 7 1 1H GLY -2 H GLY -3 27.725 5.663 6.569 2 1HA GLY -2 2HA GLY -3 25.736 5.265 8.490 3 2HA GLY -2 3HA GLY -3 26.052 6.992 8.413 4 H SER -1 H SER -2 23.747 6.998 7.747 5 HA SER -1 HA SER -2 22.096 7.167 6.186 6 1HB SER -1 2HB SER -2 24.352 7.565 4.215 7 2HB SER -1 3HB SER -2 22.708 8.192 4.106 8 HG SER -1 HG SER -2 24.585 9.571 4.958 9 H HIS 0 H HIS -1 23.102 4.518 6.713 10 HA HIS 0 HA HIS -1 23.393 3.047 4.304 11 1HB HIS 0 2HB HIS -1 22.965 1.062 5.740 12 2HB HIS 0 3HB HIS -1 24.200 2.131 6.397 13 HD1 HIS 0 1HD HIS -1 23.978 2.289 8.842 14 HD2 HIS 0 2HD HIS -1 20.274 1.982 6.986 15 HE1 HIS 0 1HE HIS -1 22.285 2.372 10.701 16 H MET 1 H MET 1 21.817 1.227 3.758 17 HA MET 1 HA MET 1 19.061 2.265 3.857 18 1HB MET 1 2HB MET 1 20.658 1.145 1.596 19 2HB MET 1 3HB MET 1 18.921 0.870 1.618 20 1HG MET 1 2HG MET 1 19.115 2.789 0.361 21 2HG MET 1 3HG MET 1 18.752 3.417 1.967 22 1HE MET 1 1HE MET 1 19.866 5.010 -0.455 23 2HE MET 1 2HE MET 1 19.789 5.925 1.050 24 3HE MET 1 3HE MET 1 21.275 5.915 0.099 25 H VAL 2 H VAL 2 17.829 1.010 5.082 26 HA VAL 2 HA VAL 2 18.419 -1.868 5.221 27 HB VAL 2 HB VAL 2 16.669 -0.288 7.104 28 1HG1 VAL 2 1HG1 VAL 2 17.960 -2.633 8.172 29 2HG1 VAL 2 2HG1 VAL 2 16.243 -2.230 8.102 30 3HG1 VAL 2 3HG1 VAL 2 17.019 -3.033 6.736 31 1HG2 VAL 2 1HG2 VAL 2 18.701 -0.557 8.648 32 2HG2 VAL 2 2HG2 VAL 2 19.621 -0.831 7.169 33 3HG2 VAL 2 3HG2 VAL 2 18.770 0.694 7.408 34 H GLU 3 H GLU 3 17.017 -3.320 4.445 35 HA GLU 3 HA GLU 3 14.797 -2.497 2.889 36 1HB GLU 3 2HB GLU 3 15.987 -5.105 3.697 37 2HB GLU 3 3HB GLU 3 14.339 -5.112 3.088 38 1HG GLU 3 2HG GLU 3 16.770 -4.068 1.656 39 2HG GLU 3 3HG GLU 3 15.897 -5.559 1.302 40 H MET 4 H MET 4 12.773 -2.088 3.471 41 HA MET 4 HA MET 4 11.525 -3.496 5.664 42 1HB MET 4 2HB MET 4 12.826 -1.354 6.501 43 2HB MET 4 3HB MET 4 11.409 -0.517 5.879 44 1HG MET 4 2HG MET 4 10.013 -1.408 7.457 45 2HG MET 4 3HG MET 4 11.014 -2.839 7.692 46 1HE MET 4 1HE MET 4 13.560 -2.201 10.026 47 2HE MET 4 2HE MET 4 11.991 -2.663 10.687 48 3HE MET 4 3HE MET 4 12.497 -3.267 9.108 49 H ARG 5 H ARG 5 9.312 -3.536 5.510 50 HA ARG 5 HA ARG 5 8.142 -3.045 3.018 51 1HB ARG 5 2HB ARG 5 5.990 -3.499 4.153 52 2HB ARG 5 3HB ARG 5 7.223 -4.693 4.537 53 1HG ARG 5 2HG ARG 5 6.438 -4.348 6.625 54 2HG ARG 5 3HG ARG 5 7.616 -3.034 6.582 55 1HD ARG 5 2HD ARG 5 6.025 -1.453 6.622 56 2HD ARG 5 3HD ARG 5 5.001 -2.324 5.482 57 HE ARG 5 HE ARG 5 4.883 -3.678 7.908 58 1HH1 ARG 5 2HH1 ARG 5 4.002 -0.571 6.610 59 2HH1 ARG 5 1HH1 ARG 5 2.674 -0.347 7.700 60 1HH2 ARG 5 2HH2 ARG 5 3.138 -3.395 9.348 61 2HH2 ARG 5 1HH2 ARG 5 2.183 -1.953 9.258 62 H MET 6 H MET 6 7.060 -1.362 2.151 63 HA MET 6 HA MET 6 5.839 0.716 3.607 64 1HB MET 6 2HB MET 6 7.347 2.545 3.268 65 2HB MET 6 3HB MET 6 8.240 1.259 4.066 66 1HG MET 6 2HG MET 6 8.742 0.685 1.473 67 2HG MET 6 3HG MET 6 8.593 2.439 1.405 68 1HE MET 6 1HE MET 6 9.862 2.795 4.745 69 2HE MET 6 2HE MET 6 11.237 3.606 3.993 70 3HE MET 6 3HE MET 6 9.607 3.870 3.370 71 H LYS 7 H LYS 7 5.704 2.775 1.981 72 HA LYS 7 HA LYS 7 5.119 1.682 -0.691 73 1HB LYS 7 2HB LYS 7 3.242 3.521 -0.619 74 2HB LYS 7 3HB LYS 7 2.969 1.935 0.091 75 1HG LYS 7 2HG LYS 7 4.118 3.958 1.895 76 2HG LYS 7 3HG LYS 7 2.465 4.254 1.351 77 1HD LYS 7 2HD LYS 7 3.421 1.674 2.587 78 2HD LYS 7 3HD LYS 7 2.609 2.965 3.474 79 1HE LYS 7 2HE LYS 7 0.752 2.718 1.708 80 2HE LYS 7 3HE LYS 7 1.519 1.178 1.325 81 1HZ LYS 7 1HZ LYS 7 0.698 1.895 4.077 82 2HZ LYS 7 2HZ LYS 7 1.094 0.367 3.472 83 3HZ LYS 7 3HZ LYS 7 -0.346 1.118 2.997 84 H LYS 8 H LYS 8 4.919 3.406 -2.375 85 HA LYS 8 HA LYS 8 6.581 5.756 -1.789 86 1HB LYS 8 2HB LYS 8 8.055 4.119 -2.819 87 2HB LYS 8 3HB LYS 8 6.918 3.885 -4.140 88 1HG LYS 8 2HG LYS 8 7.261 6.233 -4.810 89 2HG LYS 8 3HG LYS 8 8.464 6.396 -3.530 90 1HD LYS 8 2HD LYS 8 9.875 5.864 -5.224 91 2HD LYS 8 3HD LYS 8 9.434 4.222 -4.751 92 1HE LYS 8 2HE LYS 8 7.497 4.541 -6.459 93 2HE LYS 8 3HE LYS 8 8.510 5.835 -7.095 94 1HZ LYS 8 1HZ LYS 8 8.761 3.038 -7.453 95 2HZ LYS 8 2HZ LYS 8 10.172 3.658 -6.756 96 3HZ LYS 8 3HZ LYS 8 9.604 4.290 -8.218 97 H CYS 9 H CYS 9 6.170 7.582 -3.062 98 HA CYS 9 HA CYS 9 3.483 7.810 -3.990 99 1HB CYS 9 2HB CYS 9 4.724 9.667 -2.897 100 2HB CYS 9 3HB CYS 9 5.768 9.766 -4.308 101 HA PRO 10 HA PRO 10 4.382 6.356 -8.115 102 1HB PRO 10 2HB PRO 10 1.833 6.570 -9.025 103 2HB PRO 10 3HB PRO 10 2.378 5.239 -7.998 104 1HG PRO 10 2HG PRO 10 0.887 7.723 -7.245 105 2HG PRO 10 3HG PRO 10 0.624 6.054 -6.708 106 1HD PRO 10 2HD PRO 10 1.937 7.880 -5.201 107 2HD PRO 10 3HD PRO 10 2.331 6.150 -5.162 108 H LYS 11 H LYS 11 3.495 9.427 -7.067 109 HA LYS 11 HA LYS 11 3.346 10.548 -9.766 110 1HB LYS 11 2HB LYS 11 2.384 11.340 -7.131 111 2HB LYS 11 3HB LYS 11 3.192 12.658 -7.969 112 1HG LYS 11 2HG LYS 11 0.839 12.733 -8.439 113 2HG LYS 11 3HG LYS 11 1.711 12.290 -9.908 114 1HD LYS 11 2HD LYS 11 1.119 9.975 -9.622 115 2HD LYS 11 3HD LYS 11 0.393 10.313 -8.050 116 1HE LYS 11 2HE LYS 11 -1.420 10.166 -9.532 117 2HE LYS 11 3HE LYS 11 -1.168 11.895 -9.297 118 1HZ LYS 11 1HZ LYS 11 -1.468 10.880 -11.677 119 2HZ LYS 11 2HZ LYS 11 0.192 10.587 -11.538 120 3HZ LYS 11 3HZ LYS 11 -0.401 12.166 -11.411 121 H CYS 12 H CYS 12 5.272 10.774 -6.803 122 HA CYS 12 HA CYS 12 7.315 12.264 -8.306 123 1HB CYS 12 2HB CYS 12 7.193 11.967 -5.308 124 2HB CYS 12 3HB CYS 12 8.108 13.142 -6.244 125 H GLY 13 H GLY 13 7.096 9.800 -5.729 126 1HA GLY 13 2HA GLY 13 8.175 7.623 -6.244 127 2HA GLY 13 3HA GLY 13 9.515 8.558 -6.890 128 H LEU 14 H LEU 14 7.881 9.590 -4.002 129 HA LEU 14 HA LEU 14 10.344 9.168 -2.498 130 1HB LEU 14 2HB LEU 14 9.627 11.317 -2.128 131 2HB LEU 14 3HB LEU 14 7.923 10.869 -2.174 132 HG LEU 14 HG LEU 14 8.159 9.861 0.068 133 1HD1 LEU 14 1HD1 LEU 14 10.813 11.202 0.342 134 2HD1 LEU 14 2HD1 LEU 14 10.716 9.569 -0.317 135 3HD1 LEU 14 3HD1 LEU 14 10.104 9.903 1.302 136 1HD2 LEU 14 1HD2 LEU 14 9.077 12.731 -0.052 137 2HD2 LEU 14 2HD2 LEU 14 8.246 11.942 1.289 138 3HD2 LEU 14 3HD2 LEU 14 7.408 12.196 -0.243 139 H TYR 15 H TYR 15 10.578 7.709 -0.912 140 HA TYR 15 HA TYR 15 8.443 5.803 -0.479 141 1HB TYR 15 2HB TYR 15 11.331 5.933 0.360 142 2HB TYR 15 3HB TYR 15 10.240 4.714 1.007 143 HD1 TYR 15 1HD TYR 15 11.730 6.012 -2.129 144 HD2 TYR 15 2HD TYR 15 9.701 2.783 -0.241 145 HE1 TYR 15 1HE TYR 15 12.144 4.605 -4.103 146 HE2 TYR 15 2HE TYR 15 10.111 1.368 -2.211 147 HH TYR 15 HH TYR 15 11.036 1.230 -4.220 148 H THR 16 H THR 16 7.508 5.302 1.510 149 HA THR 16 HA THR 16 8.149 6.544 3.955 150 HB THR 16 HB THR 16 7.285 8.564 2.802 151 HG1 THR 16 1HG THR 16 6.282 9.196 4.607 152 1HG2 THR 16 1HG2 THR 16 4.523 7.443 2.933 153 2HG2 THR 16 2HG2 THR 16 5.533 7.061 1.538 154 3HG2 THR 16 3HG2 THR 16 5.165 8.741 1.927 155 H LEU 17 H LEU 17 6.182 6.372 5.527 156 HA LEU 17 HA LEU 17 4.710 3.901 4.887 157 1HB LEU 17 2HB LEU 17 5.931 4.766 7.500 158 2HB LEU 17 3HB LEU 17 4.811 3.415 7.340 159 HG LEU 17 HG LEU 17 7.191 3.309 5.602 160 1HD1 LEU 17 1HD1 LEU 17 8.689 3.695 7.196 161 2HD1 LEU 17 2HD1 LEU 17 8.115 2.226 7.986 162 3HD1 LEU 17 3HD1 LEU 17 7.442 3.791 8.441 163 1HD2 LEU 17 1HD2 LEU 17 5.930 1.394 5.480 164 2HD2 LEU 17 2HD2 LEU 17 5.467 1.457 7.181 165 3HD2 LEU 17 3HD2 LEU 17 7.093 0.944 6.728 166 H LYS 18 H LYS 18 4.350 7.099 5.313 167 HA LYS 18 HA LYS 18 2.051 7.126 7.048 168 1HB LYS 18 2HB LYS 18 3.385 9.199 5.318 169 2HB LYS 18 3HB LYS 18 1.871 9.525 6.151 170 1HG LYS 18 2HG LYS 18 4.099 8.437 7.768 171 2HG LYS 18 3HG LYS 18 4.239 10.102 7.202 172 1HD LYS 18 2HD LYS 18 2.420 10.812 8.426 173 2HD LYS 18 3HD LYS 18 1.692 9.204 8.474 174 1HE LYS 18 2HE LYS 18 3.155 8.473 10.155 175 2HE LYS 18 3HE LYS 18 4.273 9.809 9.882 176 1HZ LYS 18 1HZ LYS 18 2.065 11.134 10.550 177 2HZ LYS 18 2HZ LYS 18 3.236 10.653 11.671 178 3HZ LYS 18 3HZ LYS 18 1.839 9.725 11.458 179 H GLU 19 H GLU 19 2.486 6.034 3.989 180 HA GLU 19 HA GLU 19 1.076 5.468 2.295 181 1HB GLU 19 2HB GLU 19 -1.132 6.307 4.181 182 2HB GLU 19 3HB GLU 19 -1.299 5.284 2.761 183 1HG GLU 19 2HG GLU 19 0.598 3.949 4.192 184 2HG GLU 19 3HG GLU 19 -0.421 4.621 5.465 185 H ILE 20 H ILE 20 1.769 8.434 3.120 186 HA ILE 20 HA ILE 20 0.324 9.590 0.860 187 HB ILE 20 HB ILE 20 0.394 10.879 3.592 188 1HG1 ILE 20 2HG1 ILE 20 -1.293 9.050 3.251 189 2HG1 ILE 20 3HG1 ILE 20 -1.995 10.623 3.608 190 1HG2 ILE 20 1HG2 ILE 20 0.552 12.711 2.234 191 2HG2 ILE 20 2HG2 ILE 20 -0.247 11.914 0.879 192 3HG2 ILE 20 3HG2 ILE 20 -1.198 12.494 2.246 193 1HD1 ILE 20 1HD1 ILE 20 -1.729 10.304 0.778 194 2HD1 ILE 20 2HD1 ILE 20 -2.584 8.924 1.467 195 3HD1 ILE 20 3HD1 ILE 20 -3.180 10.559 1.747 196 H CYS 21 H CYS 21 1.430 11.196 -0.213 197 HA CYS 21 HA CYS 21 4.262 11.351 0.356 198 1HB CYS 21 2HB CYS 21 3.521 11.050 -1.954 199 2HB CYS 21 3HB CYS 21 2.617 12.557 -1.878 200 HA PRO 22 HA PRO 22 3.602 15.092 2.734 201 1HB PRO 22 2HB PRO 22 6.185 15.325 3.535 202 2HB PRO 22 3HB PRO 22 5.045 14.200 4.282 203 1HG PRO 22 2HG PRO 22 7.146 13.674 2.216 204 2HG PRO 22 3HG PRO 22 6.720 12.717 3.646 205 1HD PRO 22 2HD PRO 22 5.876 12.070 1.156 206 2HD PRO 22 3HD PRO 22 4.909 11.739 2.609 207 H LYS 23 H LYS 23 5.328 14.578 -0.117 208 HA LYS 23 HA LYS 23 6.500 17.215 -0.292 209 1HB LYS 23 2HB LYS 23 6.972 14.763 -1.534 210 2HB LYS 23 3HB LYS 23 6.305 15.775 -2.809 211 1HG LYS 23 2HG LYS 23 8.603 16.101 -2.958 212 2HG LYS 23 3HG LYS 23 8.025 17.518 -2.079 213 1HD LYS 23 2HD LYS 23 8.749 15.231 -0.385 214 2HD LYS 23 3HD LYS 23 10.093 15.936 -1.286 215 1HE LYS 23 2HE LYS 23 8.352 17.929 -0.058 216 2HE LYS 23 3HE LYS 23 9.101 16.845 1.114 217 1HZ LYS 23 1HZ LYS 23 10.900 18.106 0.940 218 2HZ LYS 23 2HZ LYS 23 10.271 18.967 -0.373 219 3HZ LYS 23 3HZ LYS 23 11.109 17.520 -0.633 220 H CYS 24 H CYS 24 4.087 15.455 -2.249 221 HA CYS 24 HA CYS 24 2.957 18.043 -3.048 222 1HB CYS 24 2HB CYS 24 1.870 16.803 -4.874 223 2HB CYS 24 3HB CYS 24 3.615 16.578 -4.890 224 H GLY 25 H GLY 25 2.127 14.931 -1.615 225 1HA GLY 25 2HA GLY 25 0.484 14.864 0.155 226 2HA GLY 25 3HA GLY 25 -0.389 16.143 -0.674 227 H GLU 26 H GLU 26 0.949 13.408 -2.382 228 HA GLU 26 HA GLU 26 -1.791 12.538 -2.992 229 1HB GLU 26 2HB GLU 26 -0.536 13.191 -4.953 230 2HB GLU 26 3HB GLU 26 0.797 12.139 -4.498 231 1HG GLU 26 2HG GLU 26 -0.776 11.337 -6.331 232 2HG GLU 26 3HG GLU 26 -0.383 10.206 -5.037 233 H LYS 27 H LYS 27 -2.458 10.489 -2.605 234 HA LYS 27 HA LYS 27 -1.318 8.960 -0.610 235 1HB LYS 27 2HB LYS 27 -3.623 8.833 -2.104 236 2HB LYS 27 3HB LYS 27 -2.779 7.371 -2.596 237 1HG LYS 27 2HG LYS 27 -2.481 7.221 0.078 238 2HG LYS 27 3HG LYS 27 -4.027 8.065 -0.027 239 1HD LYS 27 2HD LYS 27 -3.808 5.817 -1.876 240 2HD LYS 27 3HD LYS 27 -3.668 5.344 -0.181 241 1HE LYS 27 2HE LYS 27 -5.777 6.293 0.346 242 2HE LYS 27 3HE LYS 27 -5.873 7.115 -1.211 243 1HZ LYS 27 1HZ LYS 27 -7.262 5.084 -1.037 244 2HZ LYS 27 2HZ LYS 27 -5.849 4.164 -0.904 245 3HZ LYS 27 3HZ LYS 27 -6.155 5.043 -2.317 246 H THR 28 H THR 28 0.205 7.411 -0.491 247 HA THR 28 HA THR 28 1.850 6.955 -2.841 248 HB THR 28 HB THR 28 3.235 5.597 -1.129 249 HG1 THR 28 1HG THR 28 1.190 5.954 0.366 250 1HG2 THR 28 1HG2 THR 28 4.514 7.429 -1.017 251 2HG2 THR 28 2HG2 THR 28 3.293 8.316 -0.104 252 3HG2 THR 28 3HG2 THR 28 3.215 8.267 -1.865 253 H VAL 29 H VAL 29 2.573 4.788 -3.423 254 HA VAL 29 HA VAL 29 0.675 2.656 -2.727 255 HB VAL 29 HB VAL 29 0.478 1.935 -5.012 256 1HG1 VAL 29 1HG1 VAL 29 0.033 4.894 -5.169 257 2HG1 VAL 29 2HG1 VAL 29 -0.956 3.583 -5.815 258 3HG1 VAL 29 3HG1 VAL 29 -0.919 3.888 -4.078 259 1HG2 VAL 29 1HG2 VAL 29 2.314 2.314 -6.259 260 2HG2 VAL 29 2HG2 VAL 29 1.481 3.809 -6.689 261 3HG2 VAL 29 3HG2 VAL 29 2.702 3.816 -5.417 262 H ILE 30 H ILE 30 1.478 0.517 -2.995 263 HA ILE 30 HA ILE 30 4.153 0.168 -2.217 264 HB ILE 30 HB ILE 30 2.299 -1.882 -3.437 265 1HG1 ILE 30 2HG1 ILE 30 1.298 -0.864 -1.469 266 2HG1 ILE 30 3HG1 ILE 30 1.828 -2.497 -1.081 267 1HG2 ILE 30 1HG2 ILE 30 3.836 -3.324 -1.831 268 2HG2 ILE 30 2HG2 ILE 30 4.290 -2.985 -3.499 269 3HG2 ILE 30 3HG2 ILE 30 4.985 -2.035 -2.186 270 1HD1 ILE 30 1HD1 ILE 30 2.329 -0.925 0.712 271 2HD1 ILE 30 2HD1 ILE 30 3.801 -1.608 0.021 272 3HD1 ILE 30 3HD1 ILE 30 3.309 0.033 -0.399 273 HA PRO 31 HA PRO 31 5.958 0.676 -6.290 274 1HB PRO 31 2HB PRO 31 8.528 0.569 -5.423 275 2HB PRO 31 3HB PRO 31 7.526 2.017 -5.280 276 1HG PRO 31 2HG PRO 31 8.163 -0.058 -3.218 277 2HG PRO 31 3HG PRO 31 8.112 1.707 -3.051 278 1HD PRO 31 2HD PRO 31 6.086 0.107 -2.234 279 2HD PRO 31 3HD PRO 31 5.816 1.747 -2.855 280 H LYS 32 H LYS 32 5.828 -1.069 -7.565 281 HA LYS 32 HA LYS 32 7.222 -3.525 -6.724 282 1HB LYS 32 2HB LYS 32 5.062 -3.409 -8.818 283 2HB LYS 32 3HB LYS 32 5.649 -4.809 -7.929 284 1HG LYS 32 2HG LYS 32 4.653 -3.928 -5.880 285 2HG LYS 32 3HG LYS 32 4.064 -2.523 -6.772 286 1HD LYS 32 2HD LYS 32 2.877 -4.203 -8.287 287 2HD LYS 32 3HD LYS 32 3.222 -5.397 -7.033 288 1HE LYS 32 2HE LYS 32 1.835 -4.372 -5.494 289 2HE LYS 32 3HE LYS 32 1.921 -2.809 -6.303 290 1HZ LYS 32 1HZ LYS 32 0.773 -4.723 -8.030 291 2HZ LYS 32 2HZ LYS 32 0.096 -3.292 -7.434 292 3HZ LYS 32 3HZ LYS 32 -0.057 -4.731 -6.557 293 HA PRO 33 HA PRO 33 9.572 -1.824 -10.341 294 1HB PRO 33 2HB PRO 33 12.018 -2.359 -9.291 295 2HB PRO 33 3HB PRO 33 11.133 -0.867 -8.953 296 1HG PRO 33 2HG PRO 33 11.372 -3.347 -7.292 297 2HG PRO 33 3HG PRO 33 11.453 -1.650 -6.786 298 1HD PRO 33 2HD PRO 33 9.224 -3.156 -6.480 299 2HD PRO 33 3HD PRO 33 9.161 -1.408 -6.787 300 HA PRO 34 HA PRO 34 10.458 -5.676 -12.265 301 1HB PRO 34 2HB PRO 34 12.689 -5.127 -13.711 302 2HB PRO 34 3HB PRO 34 11.091 -4.500 -14.133 303 1HG PRO 34 2HG PRO 34 13.335 -3.149 -12.684 304 2HG PRO 34 3HG PRO 34 12.276 -2.507 -13.952 305 1HD PRO 34 2HD PRO 34 11.903 -1.957 -11.327 306 2HD PRO 34 3HD PRO 34 10.556 -2.083 -12.477 307 H LYS 35 H LYS 35 13.336 -4.161 -10.829 308 HA LYS 35 HA LYS 35 15.163 -5.030 -9.781 309 1HB LYS 35 2HB LYS 35 12.975 -5.856 -8.436 310 2HB LYS 35 3HB LYS 35 13.673 -7.416 -8.850 311 1HG LYS 35 2HG LYS 35 14.475 -6.802 -6.697 312 2HG LYS 35 3HG LYS 35 15.816 -6.645 -7.834 313 1HD LYS 35 2HD LYS 35 15.421 -4.230 -7.957 314 2HD LYS 35 3HD LYS 35 14.085 -4.391 -6.816 315 1HE LYS 35 2HE LYS 35 15.705 -5.331 -5.168 316 2HE LYS 35 3HE LYS 35 17.001 -4.953 -6.302 317 1HZ LYS 35 1HZ LYS 35 15.169 -2.793 -5.597 318 2HZ LYS 35 2HZ LYS 35 16.831 -2.744 -5.905 319 3HZ LYS 35 3HZ LYS 35 16.264 -3.290 -4.407 320 H PHE 36 H PHE 36 16.366 -5.567 -11.619 321 HA PHE 36 HA PHE 36 16.481 -8.454 -12.175 322 1HB PHE 36 2HB PHE 36 16.242 -6.182 -14.083 323 2HB PHE 36 3HB PHE 36 17.293 -7.518 -14.541 324 HD1 PHE 36 1HD PHE 36 13.887 -6.999 -13.103 325 HD2 PHE 36 2HD PHE 36 16.356 -9.194 -15.786 326 HE1 PHE 36 1HE PHE 36 11.925 -8.276 -13.860 327 HE2 PHE 36 2HE PHE 36 14.397 -10.474 -16.548 328 HZ PHE 36 HZ PHE 36 12.178 -10.015 -15.586 329 H SER 37 H SER 37 18.032 -6.544 -10.447 330 HA SER 37 HA SER 37 20.598 -6.203 -11.638 331 1HB SER 37 2HB SER 37 20.219 -6.339 -8.668 332 2HB SER 37 3HB SER 37 21.256 -5.272 -9.613 333 HG SER 37 HG SER 37 19.442 -4.161 -8.797 334 H LEU 38 H LEU 38 22.569 -7.137 -10.356 335 HA LEU 38 HA LEU 38 22.769 -9.845 -10.931 336 1HB LEU 38 2HB LEU 38 24.359 -8.098 -9.070 337 2HB LEU 38 3HB LEU 38 24.790 -9.773 -9.410 338 HG LEU 38 HG LEU 38 24.579 -7.642 -11.532 339 1HD1 LEU 38 1HD1 LEU 38 26.389 -7.464 -9.600 340 2HD1 LEU 38 2HD1 LEU 38 26.769 -7.091 -11.280 341 3HD1 LEU 38 3HD1 LEU 38 27.206 -8.661 -10.605 342 1HD2 LEU 38 1HD2 LEU 38 24.564 -9.511 -12.785 343 2HD2 LEU 38 2HD2 LEU 38 25.190 -10.519 -11.480 344 3HD2 LEU 38 3HD2 LEU 38 26.292 -9.529 -12.437 345 H GLU 39 H GLU 39 21.585 -8.249 -8.083 346 HA GLU 39 HA GLU 39 21.844 -10.207 -6.151 347 1HB GLU 39 2HB GLU 39 21.003 -8.057 -5.537 348 2HB GLU 39 3HB GLU 39 19.633 -8.212 -6.628 349 1HG GLU 39 2HG GLU 39 18.483 -9.597 -5.217 350 2HG GLU 39 3HG GLU 39 19.947 -10.201 -4.441 351 H ASP 40 H ASP 40 19.601 -10.014 -8.829 352 HA ASP 40 HA ASP 40 18.229 -12.437 -7.913 353 1HB ASP 40 2HB ASP 40 17.559 -10.266 -9.860 354 2HB ASP 40 3HB ASP 40 16.821 -11.852 -10.064 355 H ARG 41 H ARG 41 18.863 -14.341 -8.654 356 HA ARG 41 HA ARG 41 20.867 -14.686 -10.586 357 1HB ARG 41 2HB ARG 41 18.951 -16.501 -9.188 358 2HB ARG 41 3HB ARG 41 19.840 -17.123 -10.572 359 1HG ARG 41 2HG ARG 41 21.936 -16.277 -9.377 360 2HG ARG 41 3HG ARG 41 20.905 -16.141 -7.951 361 1HD ARG 41 2HD ARG 41 20.352 -18.506 -8.108 362 2HD ARG 41 3HD ARG 41 21.325 -18.651 -9.570 363 HE ARG 41 HE ARG 41 23.202 -18.759 -8.266 364 1HH1 ARG 41 2HH1 ARG 41 20.556 -17.542 -6.358 365 2HH1 ARG 41 1HH1 ARG 41 21.434 -17.601 -4.865 366 1HH2 ARG 41 2HH2 ARG 41 24.368 -18.840 -6.308 367 2HH2 ARG 41 1HH2 ARG 41 23.604 -18.339 -4.838 368 H TRP 42 H TRP 42 17.528 -15.898 -10.884 369 HA TRP 42 HA TRP 42 17.745 -15.599 -13.787 370 1HB TRP 42 2HB TRP 42 15.629 -17.013 -12.150 371 2HB TRP 42 3HB TRP 42 15.784 -17.052 -13.905 372 HD1 TRP 42 1HD TRP 42 18.064 -18.311 -14.860 373 HE1 TRP 42 1HE TRP 42 19.312 -20.346 -13.901 374 HE3 TRP 42 3HE TRP 42 16.235 -18.210 -10.088 375 HZ2 TRP 42 2HZ TRP 42 19.497 -21.728 -11.446 376 HZ3 TRP 42 3HZ TRP 42 16.997 -19.924 -8.496 377 HH2 TRP 42 2HH TRP 42 18.594 -21.646 -9.163 378 H GLY 43 H GLY 43 16.152 -14.253 -11.032 379 1HA GLY 43 2HA GLY 43 14.836 -12.376 -10.838 380 2HA GLY 43 3HA GLY 43 15.149 -12.058 -12.538 381 H LYS 44 H LYS 44 13.791 -13.044 -14.125 382 HA LYS 44 HA LYS 44 11.085 -12.893 -13.622 383 1HB LYS 44 2HB LYS 44 10.846 -14.279 -15.745 384 2HB LYS 44 3HB LYS 44 11.775 -12.792 -15.875 385 1HG LYS 44 2HG LYS 44 13.842 -14.014 -15.828 386 2HG LYS 44 3HG LYS 44 12.985 -15.525 -15.516 387 1HD LYS 44 2HD LYS 44 12.240 -13.961 -17.935 388 2HD LYS 44 3HD LYS 44 13.770 -14.844 -17.951 389 1HE LYS 44 2HE LYS 44 11.190 -16.151 -17.140 390 2HE LYS 44 3HE LYS 44 11.687 -16.047 -18.829 391 1HZ LYS 44 1HZ LYS 44 12.653 -17.765 -16.742 392 2HZ LYS 44 2HZ LYS 44 13.899 -16.995 -17.587 393 3HZ LYS 44 3HZ LYS 44 12.768 -17.936 -18.421 394 H TYR 45 H TYR 45 13.244 -15.621 -13.262 395 HA TYR 45 HA TYR 45 11.186 -17.578 -12.943 396 1HB TYR 45 2HB TYR 45 13.751 -17.833 -13.533 397 2HB TYR 45 3HB TYR 45 13.913 -17.967 -11.785 398 HD1 TYR 45 1HD TYR 45 13.296 -19.735 -14.778 399 HD2 TYR 45 2HD TYR 45 12.328 -19.704 -10.636 400 HE1 TYR 45 1HE TYR 45 12.679 -22.112 -14.910 401 HE2 TYR 45 2HE TYR 45 11.710 -22.081 -10.756 402 HH TYR 45 HH TYR 45 12.343 -24.004 -13.582 403 H ARG 46 H ARG 46 13.058 -15.541 -10.773 404 HA ARG 46 HA ARG 46 12.331 -16.774 -8.351 405 1HB ARG 46 2HB ARG 46 14.182 -15.150 -8.579 406 2HB ARG 46 3HB ARG 46 13.006 -13.869 -8.844 407 1HG ARG 46 2HG ARG 46 12.426 -13.755 -6.658 408 2HG ARG 46 3HG ARG 46 12.705 -15.475 -6.379 409 1HD ARG 46 2HD ARG 46 15.090 -15.129 -6.351 410 2HD ARG 46 3HD ARG 46 14.886 -13.436 -6.796 411 HE ARG 46 HE ARG 46 13.538 -14.134 -4.364 412 1HH1 ARG 46 2HH1 ARG 46 16.583 -13.179 -5.756 413 2HH1 ARG 46 1HH1 ARG 46 17.189 -12.495 -4.284 414 1HH2 ARG 46 2HH2 ARG 46 14.324 -13.235 -2.420 415 2HH2 ARG 46 1HH2 ARG 46 15.904 -12.527 -2.387 416 H ARG 47 H ARG 47 10.714 -14.430 -10.383 417 HA ARG 47 HA ARG 47 8.811 -13.480 -8.562 418 1HB ARG 47 2HB ARG 47 9.016 -13.635 -11.526 419 2HB ARG 47 3HB ARG 47 7.428 -13.317 -10.840 420 1HG ARG 47 2HG ARG 47 9.825 -11.705 -10.043 421 2HG ARG 47 3HG ARG 47 8.883 -11.321 -11.486 422 1HD ARG 47 2HD ARG 47 7.765 -10.023 -9.994 423 2HD ARG 47 3HD ARG 47 6.879 -11.529 -9.752 424 HE ARG 47 HE ARG 47 8.981 -11.592 -7.972 425 1HH1 ARG 47 2HH1 ARG 47 6.241 -9.536 -8.590 426 2HH1 ARG 47 1HH1 ARG 47 6.073 -9.042 -6.937 427 1HH2 ARG 47 2HH2 ARG 47 8.772 -10.949 -5.793 428 2HH2 ARG 47 1HH2 ARG 47 7.514 -9.846 -5.347 429 H MET 48 H MET 48 8.981 -16.444 -10.396 430 HA MET 48 HA MET 48 6.274 -17.187 -9.565 431 1HB MET 48 2HB MET 48 8.194 -18.255 -11.608 432 2HB MET 48 3HB MET 48 6.873 -19.260 -11.028 433 1HG MET 48 2HG MET 48 6.511 -16.530 -12.235 434 2HG MET 48 3HG MET 48 6.394 -18.040 -13.136 435 1HE MET 48 1HE MET 48 4.699 -15.982 -10.081 436 2HE MET 48 2HE MET 48 4.605 -15.350 -11.725 437 3HE MET 48 3HE MET 48 3.150 -15.946 -10.925 438 H LEU 49 H LEU 49 9.630 -17.942 -9.016 439 HA LEU 49 HA LEU 49 9.452 -20.441 -7.829 440 1HB LEU 49 2HB LEU 49 11.468 -18.771 -8.323 441 2HB LEU 49 3HB LEU 49 11.276 -18.448 -6.602 442 HG LEU 49 HG LEU 49 13.020 -20.108 -7.029 443 1HD1 LEU 49 1HD1 LEU 49 10.758 -21.621 -5.799 444 2HD1 LEU 49 2HD1 LEU 49 11.365 -20.155 -5.028 445 3HD1 LEU 49 3HD1 LEU 49 12.447 -21.521 -5.300 446 1HD2 LEU 49 1HD2 LEU 49 12.771 -21.955 -8.301 447 2HD2 LEU 49 2HD2 LEU 49 11.499 -20.996 -9.060 448 3HD2 LEU 49 3HD2 LEU 49 11.088 -22.189 -7.826 449 H LYS 50 H LYS 50 8.624 -17.294 -6.562 450 HA LYS 50 HA LYS 50 8.495 -17.974 -3.827 451 1HB LYS 50 2HB LYS 50 6.939 -15.977 -3.696 452 2HB LYS 50 3HB LYS 50 8.534 -15.669 -4.371 453 1HG LYS 50 2HG LYS 50 7.588 -14.799 -6.167 454 2HG LYS 50 3HG LYS 50 6.840 -16.358 -6.522 455 1HD LYS 50 2HD LYS 50 5.049 -14.844 -6.405 456 2HD LYS 50 3HD LYS 50 5.034 -15.678 -4.850 457 1HE LYS 50 2HE LYS 50 5.728 -13.830 -3.698 458 2HE LYS 50 3HE LYS 50 6.613 -13.171 -5.072 459 1HZ LYS 50 1HZ LYS 50 4.641 -11.864 -4.548 460 2HZ LYS 50 2HZ LYS 50 3.656 -13.214 -4.802 461 3HZ LYS 50 3HZ LYS 50 4.524 -12.547 -6.091 462 H ARG 51 H ARG 51 6.459 -18.043 -2.541 463 HA ARG 51 HA ARG 51 4.876 -20.215 -3.260 464 1HB ARG 51 2HB ARG 51 4.695 -18.084 -1.184 465 2HB ARG 51 3HB ARG 51 3.273 -19.079 -1.468 466 1HG ARG 51 2HG ARG 51 4.478 -21.072 -0.924 467 2HG ARG 51 3HG ARG 51 6.001 -20.184 -0.842 468 1HD ARG 51 2HD ARG 51 4.988 -18.830 1.018 469 2HD ARG 51 3HD ARG 51 3.634 -19.960 1.007 470 HE ARG 51 HE ARG 51 6.095 -21.345 1.247 471 1HH1 ARG 51 2HH1 ARG 51 3.858 -19.377 3.048 472 2HH1 ARG 51 1HH1 ARG 51 4.285 -20.065 4.580 473 1HH2 ARG 51 2HH2 ARG 51 6.665 -22.258 3.257 474 2HH2 ARG 51 1HH2 ARG 51 5.882 -21.703 4.698 475 H ALA 52 H ALA 52 2.428 -20.143 -3.414 476 HA ALA 52 HA ALA 52 1.296 -17.818 -4.701 477 1HB ALA 52 1HB ALA 52 2.563 -19.108 -6.490 478 2HB ALA 52 2HB ALA 52 1.336 -20.361 -6.300 479 3HB ALA 52 3HB ALA 52 0.870 -18.741 -6.819 480 H LEU 53 H LEU 53 -0.411 -17.726 -3.346 481 HA LEU 53 HA LEU 53 -2.296 -19.967 -3.431 482 1HB LEU 53 2HB LEU 53 -0.737 -19.536 -1.239 483 2HB LEU 53 3HB LEU 53 -2.165 -18.582 -0.847 484 HG LEU 53 HG LEU 53 -3.528 -20.666 -1.268 485 1HD1 LEU 53 1HD1 LEU 53 -0.810 -21.697 -1.757 486 2HD1 LEU 53 2HD1 LEU 53 -2.365 -22.236 -2.392 487 3HD1 LEU 53 3HD1 LEU 53 -1.861 -22.716 -0.772 488 1HD2 LEU 53 1HD2 LEU 53 -2.913 -21.675 0.917 489 2HD2 LEU 53 2HD2 LEU 53 -3.110 -19.923 0.975 490 3HD2 LEU 53 3HD2 LEU 53 -1.493 -20.629 0.956 491 H LYS 54 H LYS 54 -4.392 -19.376 -3.598 492 HA LYS 54 HA LYS 54 -5.096 -16.821 -4.433 493 1HB LYS 54 2HB LYS 54 -7.470 -17.581 -3.933 494 2HB LYS 54 3HB LYS 54 -6.538 -18.598 -5.025 495 1HG LYS 54 2HG LYS 54 -6.141 -20.203 -3.294 496 2HG LYS 54 3HG LYS 54 -6.868 -19.144 -2.083 497 1HD LYS 54 2HD LYS 54 -8.597 -20.609 -2.537 498 2HD LYS 54 3HD LYS 54 -8.963 -19.269 -3.626 499 1HE LYS 54 2HE LYS 54 -7.943 -20.456 -5.474 500 2HE LYS 54 3HE LYS 54 -7.455 -21.765 -4.400 501 1HZ LYS 54 1HZ LYS 54 -10.288 -20.995 -4.791 502 2HZ LYS 54 2HZ LYS 54 -9.682 -22.408 -4.087 503 3HZ LYS 54 3HZ LYS 54 -9.519 -22.156 -5.751 504 H ASN 55 H ASN 55 -5.296 -14.971 -3.372 505 HA ASN 55 HA ASN 55 -6.131 -15.037 -0.552 506 1HB ASN 55 2HB ASN 55 -3.830 -14.592 -0.356 507 2HB ASN 55 3HB ASN 55 -3.817 -13.557 -1.781 508 1HD2 ASN 55 1HD2 ASN 55 -4.464 -11.435 -1.611 509 2HD2 ASN 55 2HD2 ASN 55 -4.700 -10.649 -0.091 510 H LYS 56 H LYS 56 -8.009 -14.027 -0.377 511 HA LYS 56 HA LYS 56 -9.071 -12.311 -2.362 512 1HB LYS 56 2HB LYS 56 -9.930 -13.429 0.193 513 2HB LYS 56 3HB LYS 56 -10.531 -11.796 -0.064 514 1HG LYS 56 2HG LYS 56 -10.828 -13.973 -2.112 515 2HG LYS 56 3HG LYS 56 -12.020 -13.677 -0.842 516 1HD LYS 56 2HD LYS 56 -11.101 -11.446 -2.618 517 2HD LYS 56 3HD LYS 56 -12.345 -12.573 -3.166 518 1HE LYS 56 2HE LYS 56 -12.462 -10.947 -0.628 519 2HE LYS 56 3HE LYS 56 -13.286 -10.540 -2.132 520 1HZ LYS 56 1HZ LYS 56 -13.849 -12.719 -0.240 521 2HZ LYS 56 2HZ LYS 56 -14.272 -12.905 -1.867 522 3HZ LYS 56 3HZ LYS 56 -14.918 -11.627 -0.966 523 H ASN 57 H ASN 57 -10.006 -10.094 -1.674 524 HA ASN 57 HA ASN 57 -7.905 -8.302 -1.344 525 1HB ASN 57 2HB ASN 57 -10.810 -7.761 -0.698 526 2HB ASN 57 3HB ASN 57 -9.588 -6.574 -1.144 527 1HD2 ASN 57 1HD2 ASN 57 -12.140 -8.280 -2.259 528 2HD2 ASN 57 2HD2 ASN 57 -11.788 -8.271 -3.950 529 H LYS 58 H LYS 58 -6.624 -8.370 0.407 530 HA LYS 58 HA LYS 58 -7.890 -7.920 3.018 531 1HB LYS 58 2HB LYS 58 -7.059 -10.341 2.583 532 2HB LYS 58 3HB LYS 58 -5.450 -9.655 2.769 533 1HG LYS 58 2HG LYS 58 -7.468 -9.089 4.874 534 2HG LYS 58 3HG LYS 58 -6.757 -10.703 4.801 535 1HD LYS 58 2HD LYS 58 -4.937 -8.352 4.657 536 2HD LYS 58 3HD LYS 58 -5.652 -8.760 6.218 537 1HE LYS 58 2HE LYS 58 -4.760 -11.018 6.056 538 2HE LYS 58 3HE LYS 58 -4.091 -10.655 4.465 539 1HZ LYS 58 1HZ LYS 58 -2.628 -9.043 5.448 540 2HZ LYS 58 2HZ LYS 58 -2.435 -10.519 6.251 541 3HZ LYS 58 3HZ LYS 58 -3.319 -9.271 6.976 542 H ALA 59 H ALA 59 -7.082 -6.212 4.045 543 HA ALA 59 HA ALA 59 -4.468 -5.173 3.168 544 1HB ALA 59 1HB ALA 59 -5.544 -3.018 4.308 545 2HB ALA 59 2HB ALA 59 -5.815 -3.432 2.615 546 3HB ALA 59 3HB ALA 59 -7.028 -3.841 3.828 547 H GLU 60 H GLU 60 -2.878 -5.071 4.620 548 HA GLU 60 HA GLU 60 -3.011 -6.220 7.134 549 1HB GLU 60 2HB GLU 60 -0.840 -5.179 7.573 550 2HB GLU 60 3HB GLU 60 -0.906 -5.839 5.945 551 1HG GLU 60 2HG GLU 60 0.094 -3.816 5.573 552 2HG GLU 60 3HG GLU 60 -1.599 -3.420 5.287 Start of MODEL 8 1 1H GLY -2 H GLY -3 11.551 -15.693 -2.798 2 1HA GLY -2 2HA GLY -3 10.733 -15.098 -5.473 3 2HA GLY -2 3HA GLY -3 9.632 -14.407 -4.290 4 H SER -1 H SER -2 11.342 -13.021 -6.179 5 HA SER -1 HA SER -2 13.211 -11.672 -4.347 6 1HB SER -1 2HB SER -2 14.300 -10.805 -6.412 7 2HB SER -1 3HB SER -2 14.314 -12.567 -6.319 8 HG SER -1 HG SER -2 12.353 -11.086 -7.734 9 H HIS 0 H HIS -1 12.820 -9.645 -3.735 10 HA HIS 0 HA HIS -1 11.795 -7.628 -3.494 11 1HB HIS 0 2HB HIS -1 11.524 -7.908 -6.492 12 2HB HIS 0 3HB HIS -1 11.189 -6.428 -5.599 13 HD1 HIS 0 1HD HIS -1 13.397 -5.634 -4.077 14 HD2 HIS 0 2HD HIS -1 14.051 -7.999 -7.430 15 HE1 HIS 0 1HE HIS -1 15.819 -5.308 -4.668 16 H MET 1 H MET 1 10.213 -10.131 -3.364 17 HA MET 1 HA MET 1 7.564 -9.137 -4.151 18 1HB MET 1 2HB MET 1 8.030 -11.342 -4.997 19 2HB MET 1 3HB MET 1 8.521 -11.902 -3.405 20 1HG MET 1 2HG MET 1 6.340 -12.749 -3.887 21 2HG MET 1 3HG MET 1 6.213 -11.544 -2.608 22 1HE MET 1 1HE MET 1 4.558 -11.758 -6.711 23 2HE MET 1 2HE MET 1 5.989 -10.740 -6.877 24 3HE MET 1 3HE MET 1 6.131 -12.352 -6.175 25 H VAL 2 H VAL 2 6.854 -7.839 -2.547 26 HA VAL 2 HA VAL 2 6.196 -7.125 -0.482 27 HB VAL 2 HB VAL 2 5.797 -10.048 0.147 28 1HG1 VAL 2 1HG1 VAL 2 4.808 -7.473 1.251 29 2HG1 VAL 2 2HG1 VAL 2 3.705 -8.852 1.243 30 3HG1 VAL 2 3HG1 VAL 2 5.254 -8.963 2.080 31 1HG2 VAL 2 1HG2 VAL 2 4.072 -8.196 -1.489 32 2HG2 VAL 2 2HG2 VAL 2 4.816 -9.708 -2.009 33 3HG2 VAL 2 3HG2 VAL 2 3.513 -9.729 -0.820 34 H GLU 3 H GLU 3 8.768 -6.910 -0.448 35 HA GLU 3 HA GLU 3 9.906 -8.476 1.737 36 1HB GLU 3 2HB GLU 3 11.218 -8.078 -0.344 37 2HB GLU 3 3HB GLU 3 11.215 -6.359 0.022 38 1HG GLU 3 2HG GLU 3 13.312 -7.405 0.668 39 2HG GLU 3 3HG GLU 3 12.452 -6.769 2.069 40 H MET 4 H MET 4 8.750 -5.268 1.014 41 HA MET 4 HA MET 4 9.043 -4.569 3.840 42 1HB MET 4 2HB MET 4 10.280 -3.157 1.536 43 2HB MET 4 3HB MET 4 9.582 -2.161 2.806 44 1HG MET 4 2HG MET 4 11.039 -3.038 4.434 45 2HG MET 4 3HG MET 4 11.547 -4.353 3.378 46 1HE MET 4 1HE MET 4 12.980 -0.158 3.787 47 2HE MET 4 2HE MET 4 11.904 -1.150 4.773 48 3HE MET 4 3HE MET 4 13.645 -1.440 4.799 49 H ARG 5 H ARG 5 7.196 -3.810 4.632 50 HA ARG 5 HA ARG 5 4.879 -3.519 3.077 51 1HB ARG 5 2HB ARG 5 3.856 -2.591 5.127 52 2HB ARG 5 3HB ARG 5 4.754 -4.071 5.433 53 1HG ARG 5 2HG ARG 5 6.382 -3.003 6.633 54 2HG ARG 5 3HG ARG 5 6.136 -1.465 5.804 55 1HD ARG 5 2HD ARG 5 5.100 -0.888 7.718 56 2HD ARG 5 3HD ARG 5 3.741 -1.760 7.011 57 HE ARG 5 HE ARG 5 5.278 -3.612 8.400 58 1HH1 ARG 5 2HH1 ARG 5 3.372 -0.779 9.078 59 2HH1 ARG 5 1HH1 ARG 5 2.936 -1.294 10.673 60 1HH2 ARG 5 2HH2 ARG 5 4.711 -4.301 10.500 61 2HH2 ARG 5 1HH2 ARG 5 3.699 -3.298 11.481 62 H MET 6 H MET 6 7.442 -1.347 3.717 63 HA MET 6 HA MET 6 6.260 1.143 3.655 64 1HB MET 6 2HB MET 6 8.769 0.421 3.818 65 2HB MET 6 3HB MET 6 8.755 0.641 2.074 66 1HG MET 6 2HG MET 6 8.544 2.899 2.217 67 2HG MET 6 3HG MET 6 7.663 2.831 3.741 68 1HE MET 6 1HE MET 6 10.086 4.659 5.577 69 2HE MET 6 2HE MET 6 10.202 5.174 3.894 70 3HE MET 6 3HE MET 6 8.643 4.689 4.564 71 H LYS 7 H LYS 7 6.037 2.698 1.909 72 HA LYS 7 HA LYS 7 5.516 1.476 -0.715 73 1HB LYS 7 2HB LYS 7 3.531 3.057 -0.878 74 2HB LYS 7 3HB LYS 7 3.345 1.679 0.198 75 1HG LYS 7 2HG LYS 7 4.264 3.472 1.954 76 2HG LYS 7 3HG LYS 7 3.481 4.564 0.810 77 1HD LYS 7 2HD LYS 7 2.177 2.185 2.134 78 2HD LYS 7 3HD LYS 7 1.966 3.868 2.620 79 1HE LYS 7 2HE LYS 7 0.964 4.400 0.488 80 2HE LYS 7 3HE LYS 7 1.282 2.770 -0.105 81 1HZ LYS 7 1HZ LYS 7 -0.124 2.325 2.158 82 2HZ LYS 7 2HZ LYS 7 -0.776 2.340 0.598 83 3HZ LYS 7 3HZ LYS 7 -0.856 3.728 1.561 84 H LYS 8 H LYS 8 4.980 3.410 -2.319 85 HA LYS 8 HA LYS 8 6.703 5.709 -1.796 86 1HB LYS 8 2HB LYS 8 8.109 3.971 -2.896 87 2HB LYS 8 3HB LYS 8 7.007 3.991 -4.266 88 1HG LYS 8 2HG LYS 8 7.532 6.425 -4.536 89 2HG LYS 8 3HG LYS 8 8.785 6.221 -3.310 90 1HD LYS 8 2HD LYS 8 9.891 6.003 -5.379 91 2HD LYS 8 3HD LYS 8 9.700 4.355 -4.776 92 1HE LYS 8 2HE LYS 8 7.604 4.217 -6.172 93 2HE LYS 8 3HE LYS 8 8.087 5.745 -6.905 94 1HZ LYS 8 1HZ LYS 8 9.401 4.635 -8.274 95 2HZ LYS 8 2HZ LYS 8 8.931 3.168 -7.576 96 3HZ LYS 8 3HZ LYS 8 10.275 3.999 -6.972 97 H CYS 9 H CYS 9 6.230 7.534 -3.050 98 HA CYS 9 HA CYS 9 3.521 7.714 -3.923 99 1HB CYS 9 2HB CYS 9 4.725 9.590 -2.841 100 2HB CYS 9 3HB CYS 9 5.766 9.713 -4.253 101 HA PRO 10 HA PRO 10 4.366 6.308 -8.076 102 1HB PRO 10 2HB PRO 10 1.797 6.486 -8.936 103 2HB PRO 10 3HB PRO 10 2.384 5.156 -7.930 104 1HG PRO 10 2HG PRO 10 0.866 7.610 -7.131 105 2HG PRO 10 3HG PRO 10 0.640 5.932 -6.601 106 1HD PRO 10 2HD PRO 10 1.950 7.769 -5.104 107 2HD PRO 10 3HD PRO 10 2.374 6.045 -5.086 108 H LYS 11 H LYS 11 3.442 9.356 -6.988 109 HA LYS 11 HA LYS 11 3.213 10.497 -9.670 110 1HB LYS 11 2HB LYS 11 2.221 11.200 -7.060 111 2HB LYS 11 3HB LYS 11 3.129 12.546 -7.736 112 1HG LYS 11 2HG LYS 11 0.772 12.719 -8.286 113 2HG LYS 11 3HG LYS 11 1.741 12.483 -9.743 114 1HD LYS 11 2HD LYS 11 0.769 10.514 -10.207 115 2HD LYS 11 3HD LYS 11 0.809 9.993 -8.521 116 1HE LYS 11 2HE LYS 11 -1.435 10.204 -8.712 117 2HE LYS 11 3HE LYS 11 -1.075 11.893 -8.355 118 1HZ LYS 11 1HZ LYS 11 -2.460 11.939 -10.218 119 2HZ LYS 11 2HZ LYS 11 -1.654 10.662 -10.980 120 3HZ LYS 11 3HZ LYS 11 -0.910 12.176 -10.854 121 H CYS 12 H CYS 12 5.239 10.689 -6.776 122 HA CYS 12 HA CYS 12 7.228 12.191 -8.343 123 1HB CYS 12 2HB CYS 12 7.192 11.974 -5.338 124 2HB CYS 12 3HB CYS 12 8.035 13.153 -6.337 125 H GLY 13 H GLY 13 7.064 9.792 -5.701 126 1HA GLY 13 2HA GLY 13 8.151 7.609 -6.186 127 2HA GLY 13 3HA GLY 13 9.480 8.543 -6.859 128 H LEU 14 H LEU 14 7.818 9.539 -3.959 129 HA LEU 14 HA LEU 14 10.309 9.213 -2.472 130 1HB LEU 14 2HB LEU 14 9.544 11.340 -2.097 131 2HB LEU 14 3HB LEU 14 7.850 10.857 -2.159 132 HG LEU 14 HG LEU 14 8.089 9.858 0.088 133 1HD1 LEU 14 1HD1 LEU 14 10.653 9.622 -0.267 134 2HD1 LEU 14 2HD1 LEU 14 10.020 9.956 1.344 135 3HD1 LEU 14 3HD1 LEU 14 10.708 11.263 0.380 136 1HD2 LEU 14 1HD2 LEU 14 8.104 11.939 1.303 137 2HD2 LEU 14 2HD2 LEU 14 7.288 12.176 -0.242 138 3HD2 LEU 14 3HD2 LEU 14 8.942 12.748 -0.022 139 H TYR 15 H TYR 15 10.600 7.747 -0.909 140 HA TYR 15 HA TYR 15 8.547 5.771 -0.458 141 1HB TYR 15 2HB TYR 15 11.428 5.967 -0.093 142 2HB TYR 15 3HB TYR 15 10.638 5.220 1.291 143 HD1 TYR 15 1HD TYR 15 10.287 2.937 1.246 144 HD2 TYR 15 2HD TYR 15 10.634 5.031 -2.441 145 HE1 TYR 15 1HE TYR 15 10.164 0.803 0.030 146 HE2 TYR 15 2HE TYR 15 10.511 2.903 -3.668 147 HH TYR 15 HH TYR 15 11.148 0.247 -2.811 148 H THR 16 H THR 16 7.558 5.276 1.494 149 HA THR 16 HA THR 16 8.086 6.546 3.949 150 HB THR 16 HB THR 16 7.207 8.537 2.752 151 HG1 THR 16 1HG THR 16 6.194 9.156 4.543 152 1HG2 THR 16 1HG2 THR 16 5.037 8.673 1.910 153 2HG2 THR 16 2HG2 THR 16 4.501 7.243 2.793 154 3HG2 THR 16 3HG2 THR 16 5.563 7.071 1.396 155 H LEU 17 H LEU 17 6.028 6.361 5.434 156 HA LEU 17 HA LEU 17 4.600 3.880 4.744 157 1HB LEU 17 2HB LEU 17 5.660 4.617 7.467 158 2HB LEU 17 3HB LEU 17 4.789 3.144 7.045 159 HG LEU 17 HG LEU 17 7.262 3.609 5.522 160 1HD1 LEU 17 1HD1 LEU 17 8.161 2.438 7.899 161 2HD1 LEU 17 2HD1 LEU 17 7.275 3.884 8.379 162 3HD1 LEU 17 3HD1 LEU 17 8.611 4.008 7.235 163 1HD2 LEU 17 1HD2 LEU 17 7.331 1.337 5.461 164 2HD2 LEU 17 2HD2 LEU 17 5.605 1.547 5.757 165 3HD2 LEU 17 3HD2 LEU 17 6.688 1.161 7.094 166 H LYS 18 H LYS 18 4.228 7.046 5.226 167 HA LYS 18 HA LYS 18 1.952 7.020 7.004 168 1HB LYS 18 2HB LYS 18 3.160 9.194 5.289 169 2HB LYS 18 3HB LYS 18 1.781 9.437 6.352 170 1HG LYS 18 2HG LYS 18 3.587 8.313 8.050 171 2HG LYS 18 3HG LYS 18 4.631 9.246 6.975 172 1HD LYS 18 2HD LYS 18 2.178 10.565 8.008 173 2HD LYS 18 3HD LYS 18 3.511 10.311 9.137 174 1HE LYS 18 2HE LYS 18 5.020 11.430 7.505 175 2HE LYS 18 3HE LYS 18 3.609 11.790 6.511 176 1HZ LYS 18 1HZ LYS 18 3.992 12.698 9.312 177 2HZ LYS 18 2HZ LYS 18 2.694 13.094 8.302 178 3HZ LYS 18 3HZ LYS 18 4.250 13.653 7.940 179 H GLU 19 H GLU 19 2.340 5.989 3.941 180 HA GLU 19 HA GLU 19 0.925 5.506 2.227 181 1HB GLU 19 2HB GLU 19 -1.254 6.310 4.161 182 2HB GLU 19 3HB GLU 19 -1.459 5.356 2.699 183 1HG GLU 19 2HG GLU 19 0.443 3.941 4.072 184 2HG GLU 19 3HG GLU 19 -0.599 4.547 5.359 185 H ILE 20 H ILE 20 1.696 8.421 3.088 186 HA ILE 20 HA ILE 20 0.224 9.666 0.894 187 HB ILE 20 HB ILE 20 0.398 10.907 3.643 188 1HG1 ILE 20 2HG1 ILE 20 -1.320 9.108 3.370 189 2HG1 ILE 20 3HG1 ILE 20 -2.001 10.692 3.726 190 1HG2 ILE 20 1HG2 ILE 20 -0.526 11.962 0.990 191 2HG2 ILE 20 2HG2 ILE 20 -1.114 12.635 2.510 192 3HG2 ILE 20 3HG2 ILE 20 0.608 12.681 2.134 193 1HD1 ILE 20 1HD1 ILE 20 -1.829 10.380 0.903 194 2HD1 ILE 20 2HD1 ILE 20 -2.621 8.965 1.596 195 3HD1 ILE 20 3HD1 ILE 20 -3.258 10.578 1.918 196 H CYS 21 H CYS 21 1.337 11.289 -0.156 197 HA CYS 21 HA CYS 21 4.186 11.393 0.406 198 1HB CYS 21 2HB CYS 21 3.474 11.022 -1.900 199 2HB CYS 21 3HB CYS 21 2.567 12.529 -1.883 200 HA PRO 22 HA PRO 22 3.501 15.211 2.658 201 1HB PRO 22 2HB PRO 22 6.065 15.439 3.520 202 2HB PRO 22 3HB PRO 22 4.892 14.352 4.273 203 1HG PRO 22 2HG PRO 22 7.040 13.735 2.280 204 2HG PRO 22 3HG PRO 22 6.564 12.830 3.729 205 1HD PRO 22 2HD PRO 22 5.778 12.112 1.240 206 2HD PRO 22 3HD PRO 22 4.769 11.839 2.675 207 H LYS 23 H LYS 23 5.296 14.583 -0.128 208 HA LYS 23 HA LYS 23 6.517 17.192 -0.357 209 1HB LYS 23 2HB LYS 23 6.951 14.695 -1.528 210 2HB LYS 23 3HB LYS 23 6.335 15.694 -2.839 211 1HG LYS 23 2HG LYS 23 8.130 17.134 -2.767 212 2HG LYS 23 3HG LYS 23 8.518 16.736 -1.092 213 1HD LYS 23 2HD LYS 23 10.133 15.453 -1.968 214 2HD LYS 23 3HD LYS 23 8.830 14.324 -2.347 215 1HE LYS 23 2HE LYS 23 9.657 14.503 -4.438 216 2HE LYS 23 3HE LYS 23 8.664 15.959 -4.476 217 1HZ LYS 23 1HZ LYS 23 10.820 17.027 -3.501 218 2HZ LYS 23 2HZ LYS 23 10.663 16.778 -5.166 219 3HZ LYS 23 3HZ LYS 23 11.574 15.701 -4.231 220 H CYS 24 H CYS 24 4.113 15.433 -2.327 221 HA CYS 24 HA CYS 24 3.054 18.020 -3.217 222 1HB CYS 24 2HB CYS 24 1.972 16.758 -5.022 223 2HB CYS 24 3HB CYS 24 3.705 16.455 -4.989 224 H GLY 25 H GLY 25 2.142 15.006 -1.647 225 1HA GLY 25 2HA GLY 25 0.467 15.071 0.097 226 2HA GLY 25 3HA GLY 25 -0.377 16.304 -0.829 227 H GLU 26 H GLU 26 0.957 13.483 -2.378 228 HA GLU 26 HA GLU 26 -1.784 12.556 -2.905 229 1HB GLU 26 2HB GLU 26 -0.700 13.144 -4.944 230 2HB GLU 26 3HB GLU 26 0.764 12.284 -4.493 231 1HG GLU 26 2HG GLU 26 -0.487 11.066 -6.177 232 2HG GLU 26 3HG GLU 26 -0.409 10.161 -4.666 233 H LYS 27 H LYS 27 -2.397 10.528 -2.390 234 HA LYS 27 HA LYS 27 -1.142 9.072 -0.420 235 1HB LYS 27 2HB LYS 27 -2.556 7.128 -1.271 236 2HB LYS 27 3HB LYS 27 -3.416 8.598 -0.833 237 1HG LYS 27 2HG LYS 27 -2.652 8.602 -3.621 238 2HG LYS 27 3HG LYS 27 -3.629 7.192 -3.206 239 1HD LYS 27 2HD LYS 27 -5.241 8.785 -2.096 240 2HD LYS 27 3HD LYS 27 -4.322 10.100 -2.831 241 1HE LYS 27 2HE LYS 27 -4.796 8.332 -4.919 242 2HE LYS 27 3HE LYS 27 -6.301 8.334 -4.001 243 1HZ LYS 27 1HZ LYS 27 -5.093 10.931 -4.528 244 2HZ LYS 27 2HZ LYS 27 -6.722 10.475 -4.522 245 3HZ LYS 27 3HZ LYS 27 -5.751 10.126 -5.862 246 H THR 28 H THR 28 0.296 7.403 -0.328 247 HA THR 28 HA THR 28 1.942 6.998 -2.691 248 HB THR 28 HB THR 28 3.244 5.523 -0.935 249 HG1 THR 28 1HG THR 28 2.895 6.587 1.189 250 1HG2 THR 28 1HG2 THR 28 3.456 8.132 -1.855 251 2HG2 THR 28 2HG2 THR 28 4.688 7.230 -0.973 252 3HG2 THR 28 3HG2 THR 28 3.576 8.285 -0.103 253 H VAL 29 H VAL 29 2.627 4.847 -3.342 254 HA VAL 29 HA VAL 29 0.737 2.706 -2.659 255 HB VAL 29 HB VAL 29 0.463 2.054 -4.958 256 1HG1 VAL 29 1HG1 VAL 29 -1.006 3.841 -4.002 257 2HG1 VAL 29 2HG1 VAL 29 0.012 5.030 -4.818 258 3HG1 VAL 29 3HG1 VAL 29 -0.892 3.846 -5.761 259 1HG2 VAL 29 1HG2 VAL 29 2.155 2.486 -6.348 260 2HG2 VAL 29 2HG2 VAL 29 1.447 4.090 -6.537 261 3HG2 VAL 29 3HG2 VAL 29 2.734 3.826 -5.360 262 H ILE 30 H ILE 30 1.522 0.572 -3.029 263 HA ILE 30 HA ILE 30 4.230 0.203 -2.363 264 HB ILE 30 HB ILE 30 2.429 -1.879 -3.596 265 1HG1 ILE 30 2HG1 ILE 30 1.232 -0.843 -1.756 266 2HG1 ILE 30 3HG1 ILE 30 1.790 -2.437 -1.260 267 1HG2 ILE 30 1HG2 ILE 30 5.086 -1.897 -2.471 268 2HG2 ILE 30 2HG2 ILE 30 4.013 -2.986 -1.593 269 3HG2 ILE 30 3HG2 ILE 30 4.221 -3.169 -3.335 270 1HD1 ILE 30 1HD1 ILE 30 2.805 -1.545 0.483 271 2HD1 ILE 30 2HD1 ILE 30 3.784 -0.533 -0.579 272 3HD1 ILE 30 3HD1 ILE 30 2.223 0.047 -0.001 273 HA PRO 31 HA PRO 31 5.847 0.773 -6.506 274 1HB PRO 31 2HB PRO 31 8.455 0.635 -5.763 275 2HB PRO 31 3HB PRO 31 7.470 2.086 -5.545 276 1HG PRO 31 2HG PRO 31 8.189 -0.031 -3.554 277 2HG PRO 31 3HG PRO 31 8.158 1.731 -3.353 278 1HD PRO 31 2HD PRO 31 6.161 0.128 -2.471 279 2HD PRO 31 3HD PRO 31 5.873 1.782 -3.049 280 H LYS 32 H LYS 32 6.321 -1.854 -4.302 281 HA LYS 32 HA LYS 32 7.985 -3.518 -5.819 282 1HB LYS 32 2HB LYS 32 6.254 -3.777 -3.495 283 2HB LYS 32 3HB LYS 32 6.242 -5.231 -4.485 284 1HG LYS 32 2HG LYS 32 8.017 -5.757 -3.205 285 2HG LYS 32 3HG LYS 32 8.880 -4.784 -4.399 286 1HD LYS 32 2HD LYS 32 8.187 -2.828 -2.743 287 2HD LYS 32 3HD LYS 32 8.169 -4.157 -1.582 288 1HE LYS 32 2HE LYS 32 10.458 -4.713 -2.133 289 2HE LYS 32 3HE LYS 32 10.484 -3.481 -3.393 290 1HZ LYS 32 1HZ LYS 32 11.565 -2.730 -1.356 291 2HZ LYS 32 2HZ LYS 32 10.127 -2.951 -0.493 292 3HZ LYS 32 3HZ LYS 32 10.207 -1.783 -1.714 293 HA PRO 33 HA PRO 33 5.532 -5.074 -9.108 294 1HB PRO 33 2HB PRO 33 6.241 -7.694 -9.181 295 2HB PRO 33 3HB PRO 33 7.321 -6.392 -9.695 296 1HG PRO 33 2HG PRO 33 7.247 -7.878 -7.097 297 2HG PRO 33 3HG PRO 33 8.648 -7.404 -8.075 298 1HD PRO 33 2HD PRO 33 7.871 -6.024 -5.879 299 2HD PRO 33 3HD PRO 33 8.631 -5.241 -7.280 300 HA PRO 34 HA PRO 34 1.796 -6.964 -7.764 301 1HB PRO 34 2HB PRO 34 1.089 -8.483 -9.900 302 2HB PRO 34 3HB PRO 34 1.002 -6.718 -9.906 303 1HG PRO 34 2HG PRO 34 3.114 -8.513 -11.035 304 2HG PRO 34 3HG PRO 34 2.384 -7.061 -11.744 305 1HD PRO 34 2HD PRO 34 4.809 -7.033 -10.542 306 2HD PRO 34 3HD PRO 34 3.712 -5.638 -10.510 307 H LYS 35 H LYS 35 0.630 -9.157 -7.641 308 HA LYS 35 HA LYS 35 2.595 -11.163 -6.777 309 1HB LYS 35 2HB LYS 35 -0.135 -10.402 -5.869 310 2HB LYS 35 3HB LYS 35 0.321 -12.094 -5.726 311 1HG LYS 35 2HG LYS 35 2.375 -11.318 -4.492 312 2HG LYS 35 3HG LYS 35 1.639 -9.714 -4.451 313 1HD LYS 35 2HD LYS 35 -0.385 -10.832 -3.398 314 2HD LYS 35 3HD LYS 35 0.637 -12.257 -3.192 315 1HE LYS 35 2HE LYS 35 1.947 -11.257 -1.605 316 2HE LYS 35 3HE LYS 35 1.674 -9.637 -2.243 317 1HZ LYS 35 1HZ LYS 35 -0.694 -10.911 -1.198 318 2HZ LYS 35 2HZ LYS 35 -0.105 -9.345 -0.944 319 3HZ LYS 35 3HZ LYS 35 0.504 -10.636 -0.036 320 H PHE 36 H PHE 36 1.770 -13.481 -6.957 321 HA PHE 36 HA PHE 36 1.312 -14.046 -9.706 322 1HB PHE 36 2HB PHE 36 1.173 -15.941 -7.353 323 2HB PHE 36 3HB PHE 36 1.369 -16.387 -9.044 324 HD1 PHE 36 1HD PHE 36 3.408 -14.726 -10.084 325 HD2 PHE 36 2HD PHE 36 3.085 -16.379 -6.174 326 HE1 PHE 36 1HE PHE 36 5.852 -14.601 -9.832 327 HE2 PHE 36 2HE PHE 36 5.529 -16.255 -5.917 328 HZ PHE 36 HZ PHE 36 6.916 -15.364 -7.747 329 H SER 37 H SER 37 -0.619 -13.541 -10.556 330 HA SER 37 HA SER 37 -3.021 -14.550 -9.177 331 1HB SER 37 2HB SER 37 -3.352 -12.252 -9.110 332 2HB SER 37 3HB SER 37 -2.529 -11.984 -10.646 333 HG SER 37 HG SER 37 -4.881 -11.790 -10.679 334 H LEU 38 H LEU 38 -4.379 -15.830 -10.299 335 HA LEU 38 HA LEU 38 -3.507 -16.790 -12.878 336 1HB LEU 38 2HB LEU 38 -4.416 -18.230 -11.018 337 2HB LEU 38 3HB LEU 38 -6.002 -17.551 -11.377 338 HG LEU 38 HG LEU 38 -5.628 -18.452 -13.755 339 1HD1 LEU 38 1HD1 LEU 38 -3.244 -19.418 -12.382 340 2HD1 LEU 38 2HD1 LEU 38 -3.585 -19.279 -14.106 341 3HD1 LEU 38 3HD1 LEU 38 -4.145 -20.690 -13.209 342 1HD2 LEU 38 1HD2 LEU 38 -6.820 -20.333 -13.216 343 2HD2 LEU 38 2HD2 LEU 38 -7.047 -19.381 -11.748 344 3HD2 LEU 38 3HD2 LEU 38 -5.848 -20.674 -11.784 345 H GLU 39 H GLU 39 -5.942 -14.654 -11.625 346 HA GLU 39 HA GLU 39 -7.748 -14.666 -13.770 347 1HB GLU 39 2HB GLU 39 -7.031 -12.377 -11.929 348 2HB GLU 39 3HB GLU 39 -8.464 -12.463 -12.943 349 1HG GLU 39 2HG GLU 39 -9.367 -13.159 -10.989 350 2HG GLU 39 3HG GLU 39 -8.829 -14.717 -11.612 351 H ASP 40 H ASP 40 -4.665 -13.089 -13.338 352 HA ASP 40 HA ASP 40 -4.781 -11.118 -15.284 353 1HB ASP 40 2HB ASP 40 -2.589 -12.722 -14.060 354 2HB ASP 40 3HB ASP 40 -2.214 -11.803 -15.515 355 H ARG 41 H ARG 41 -5.350 -11.305 -17.341 356 HA ARG 41 HA ARG 41 -5.427 -13.718 -18.776 357 1HB ARG 41 2HB ARG 41 -5.629 -10.826 -19.550 358 2HB ARG 41 3HB ARG 41 -5.575 -12.071 -20.792 359 1HG ARG 41 2HG ARG 41 -7.497 -13.124 -19.316 360 2HG ARG 41 3HG ARG 41 -7.702 -11.442 -18.825 361 1HD ARG 41 2HD ARG 41 -7.619 -10.974 -21.386 362 2HD ARG 41 3HD ARG 41 -8.024 -12.684 -21.523 363 HE ARG 41 HE ARG 41 -9.768 -11.359 -19.716 364 1HH1 ARG 41 2HH1 ARG 41 -9.100 -11.792 -23.105 365 2HH1 ARG 41 1HH1 ARG 41 -10.735 -11.495 -23.598 366 1HH2 ARG 41 2HH2 ARG 41 -11.922 -10.964 -20.353 367 2HH2 ARG 41 1HH2 ARG 41 -12.339 -11.022 -22.032 368 H TRP 42 H TRP 42 -3.068 -11.075 -18.769 369 HA TRP 42 HA TRP 42 -1.320 -12.674 -20.504 370 1HB TRP 42 2HB TRP 42 -1.604 -9.755 -19.965 371 2HB TRP 42 3HB TRP 42 -0.003 -10.362 -20.378 372 HD1 TRP 42 1HD TRP 42 -3.207 -11.760 -21.973 373 HE1 TRP 42 1HE TRP 42 -3.157 -11.234 -24.492 374 HE3 TRP 42 3HE TRP 42 0.964 -8.807 -22.104 375 HZ2 TRP 42 2HZ TRP 42 -1.559 -9.764 -26.296 376 HZ3 TRP 42 3HZ TRP 42 1.686 -7.881 -24.266 377 HH2 TRP 42 2HH TRP 42 0.449 -8.351 -26.318 378 H GLY 43 H GLY 43 -1.827 -12.936 -17.512 379 1HA GLY 43 2HA GLY 43 0.448 -12.100 -16.089 380 2HA GLY 43 3HA GLY 43 -0.603 -13.433 -15.636 381 H LYS 44 H LYS 44 -0.107 -14.902 -18.118 382 HA LYS 44 HA LYS 44 2.390 -16.142 -17.306 383 1HB LYS 44 2HB LYS 44 0.485 -16.983 -19.498 384 2HB LYS 44 3HB LYS 44 1.767 -17.954 -18.784 385 1HG LYS 44 2HG LYS 44 0.576 -17.883 -16.626 386 2HG LYS 44 3HG LYS 44 -0.733 -16.992 -17.407 387 1HD LYS 44 2HD LYS 44 -1.465 -18.822 -18.570 388 2HD LYS 44 3HD LYS 44 0.136 -19.563 -18.626 389 1HE LYS 44 2HE LYS 44 -0.046 -20.402 -16.459 390 2HE LYS 44 3HE LYS 44 -1.339 -19.281 -16.031 391 1HZ LYS 44 1HZ LYS 44 -2.828 -20.480 -17.494 392 2HZ LYS 44 2HZ LYS 44 -2.163 -21.536 -16.353 393 3HZ LYS 44 3HZ LYS 44 -1.590 -21.541 -17.944 394 H TYR 45 H TYR 45 1.113 -14.229 -19.928 395 HA TYR 45 HA TYR 45 2.951 -14.705 -21.935 396 1HB TYR 45 2HB TYR 45 1.000 -13.292 -22.276 397 2HB TYR 45 3HB TYR 45 1.643 -12.087 -21.167 398 HD1 TYR 45 1HD TYR 45 1.721 -13.395 -24.548 399 HD2 TYR 45 2HD TYR 45 3.632 -10.749 -21.818 400 HE1 TYR 45 1HE TYR 45 2.846 -12.277 -26.428 401 HE2 TYR 45 2HE TYR 45 4.760 -9.623 -23.690 402 HH TYR 45 HH TYR 45 4.099 -9.397 -26.371 403 H ARG 46 H ARG 46 3.336 -12.935 -18.963 404 HA ARG 46 HA ARG 46 5.531 -11.348 -19.502 405 1HB ARG 46 2HB ARG 46 4.246 -11.406 -17.359 406 2HB ARG 46 3HB ARG 46 5.077 -12.900 -16.950 407 1HG ARG 46 2HG ARG 46 7.115 -11.838 -16.651 408 2HG ARG 46 3HG ARG 46 6.629 -10.429 -17.597 409 1HD ARG 46 2HD ARG 46 6.494 -9.594 -15.460 410 2HD ARG 46 3HD ARG 46 4.840 -10.152 -15.711 411 HE ARG 46 HE ARG 46 5.155 -11.640 -14.017 412 1HH1 ARG 46 2HH1 ARG 46 8.270 -10.713 -15.263 413 2HH1 ARG 46 1HH1 ARG 46 9.157 -11.598 -14.068 414 1HH2 ARG 46 2HH2 ARG 46 6.311 -12.811 -12.437 415 2HH2 ARG 46 1HH2 ARG 46 8.043 -12.792 -12.460 416 H ARG 47 H ARG 47 5.379 -14.805 -18.927 417 HA ARG 47 HA ARG 47 8.119 -15.285 -18.530 418 1HB ARG 47 2HB ARG 47 5.770 -16.928 -19.338 419 2HB ARG 47 3HB ARG 47 7.370 -17.598 -19.625 420 1HG ARG 47 2HG ARG 47 6.755 -16.483 -16.937 421 2HG ARG 47 3HG ARG 47 6.083 -18.052 -17.386 422 1HD ARG 47 2HD ARG 47 8.353 -18.838 -17.932 423 2HD ARG 47 3HD ARG 47 8.999 -17.281 -17.417 424 HE ARG 47 HE ARG 47 7.489 -18.340 -15.316 425 1HH1 ARG 47 2HH1 ARG 47 10.424 -19.011 -17.066 426 2HH1 ARG 47 1HH1 ARG 47 11.200 -19.785 -15.724 427 1HH2 ARG 47 2HH2 ARG 47 8.500 -19.357 -13.543 428 2HH2 ARG 47 1HH2 ARG 47 10.105 -19.983 -13.722 429 H MET 48 H MET 48 6.197 -14.901 -21.440 430 HA MET 48 HA MET 48 8.555 -15.453 -23.096 431 1HB MET 48 2HB MET 48 5.610 -15.451 -23.605 432 2HB MET 48 3HB MET 48 6.704 -15.157 -24.949 433 1HG MET 48 2HG MET 48 6.960 -17.544 -23.150 434 2HG MET 48 3HG MET 48 5.950 -17.540 -24.594 435 1HE MET 48 1HE MET 48 8.975 -19.228 -23.656 436 2HE MET 48 2HE MET 48 10.343 -18.332 -24.316 437 3HE MET 48 3HE MET 48 9.365 -17.626 -23.029 438 H LEU 49 H LEU 49 8.082 -12.986 -21.489 439 HA LEU 49 HA LEU 49 7.395 -10.853 -23.213 440 1HB LEU 49 2HB LEU 49 7.346 -10.612 -20.805 441 2HB LEU 49 3HB LEU 49 9.082 -10.899 -20.715 442 HG LEU 49 HG LEU 49 9.427 -8.783 -21.991 443 1HD1 LEU 49 1HD1 LEU 49 7.264 -7.266 -21.673 444 2HD1 LEU 49 2HD1 LEU 49 6.468 -8.823 -21.903 445 3HD1 LEU 49 3HD1 LEU 49 7.561 -8.201 -23.139 446 1HD2 LEU 49 1HD2 LEU 49 9.113 -7.352 -20.104 447 2HD2 LEU 49 2HD2 LEU 49 9.535 -8.955 -19.501 448 3HD2 LEU 49 3HD2 LEU 49 7.860 -8.404 -19.446 449 H LYS 50 H LYS 50 10.284 -12.696 -22.783 450 HA LYS 50 HA LYS 50 11.571 -11.130 -24.890 451 1HB LYS 50 2HB LYS 50 13.109 -11.955 -22.432 452 2HB LYS 50 3HB LYS 50 13.635 -10.893 -23.731 453 1HG LYS 50 2HG LYS 50 13.147 -9.331 -22.166 454 2HG LYS 50 3HG LYS 50 11.554 -9.475 -22.912 455 1HD LYS 50 2HD LYS 50 10.959 -9.690 -20.718 456 2HD LYS 50 3HD LYS 50 11.282 -11.385 -21.096 457 1HE LYS 50 2HE LYS 50 13.535 -9.697 -20.134 458 2HE LYS 50 3HE LYS 50 12.319 -10.208 -18.966 459 1HZ LYS 50 1HZ LYS 50 14.190 -11.855 -20.532 460 2HZ LYS 50 2HZ LYS 50 12.737 -12.526 -19.986 461 3HZ LYS 50 3HZ LYS 50 13.851 -11.905 -18.875 462 H ARG 51 H ARG 51 13.445 -12.273 -25.841 463 HA ARG 51 HA ARG 51 12.819 -14.856 -26.621 464 1HB ARG 51 2HB ARG 51 15.295 -13.192 -26.741 465 2HB ARG 51 3HB ARG 51 15.414 -14.899 -27.145 466 1HG ARG 51 2HG ARG 51 13.344 -13.164 -28.431 467 2HG ARG 51 3HG ARG 51 15.004 -13.199 -29.029 468 1HD ARG 51 2HD ARG 51 14.827 -15.332 -29.805 469 2HD ARG 51 3HD ARG 51 13.672 -15.804 -28.557 470 HE ARG 51 HE ARG 51 11.999 -15.309 -30.019 471 1HH1 ARG 51 2HH1 ARG 51 14.856 -13.571 -30.988 472 2HH1 ARG 51 1HH1 ARG 51 14.137 -12.931 -32.429 473 1HH2 ARG 51 2HH2 ARG 51 11.041 -14.472 -31.911 474 2HH2 ARG 51 1HH2 ARG 51 11.966 -13.443 -32.952 475 H ALA 52 H ALA 52 13.143 -16.834 -25.806 476 HA ALA 52 HA ALA 52 15.045 -17.178 -23.600 477 1HB ALA 52 1HB ALA 52 13.508 -17.659 -22.068 478 2HB ALA 52 2HB ALA 52 12.301 -17.035 -23.195 479 3HB ALA 52 3HB ALA 52 12.668 -18.759 -23.162 480 H LEU 53 H LEU 53 16.461 -18.586 -24.416 481 HA LEU 53 HA LEU 53 15.416 -20.931 -25.862 482 1HB LEU 53 2HB LEU 53 16.724 -19.767 -27.400 483 2HB LEU 53 3HB LEU 53 17.930 -19.338 -26.188 484 HG LEU 53 HG LEU 53 18.740 -21.642 -26.166 485 1HD1 LEU 53 1HD1 LEU 53 17.404 -23.285 -26.821 486 2HD1 LEU 53 2HD1 LEU 53 17.596 -22.730 -28.483 487 3HD1 LEU 53 3HD1 LEU 53 16.254 -22.137 -27.505 488 1HD2 LEU 53 1HD2 LEU 53 20.034 -21.391 -28.013 489 2HD2 LEU 53 2HD2 LEU 53 19.308 -19.785 -27.990 490 3HD2 LEU 53 3HD2 LEU 53 18.665 -21.028 -29.063 491 H LYS 54 H LYS 54 15.751 -22.870 -24.989 492 HA LYS 54 HA LYS 54 17.777 -23.112 -22.862 493 1HB LYS 54 2HB LYS 54 16.291 -24.792 -21.802 494 2HB LYS 54 3HB LYS 54 15.577 -23.185 -21.863 495 1HG LYS 54 2HG LYS 54 14.374 -23.943 -23.953 496 2HG LYS 54 3HG LYS 54 14.908 -25.577 -23.552 497 1HD LYS 54 2HD LYS 54 13.734 -25.504 -21.454 498 2HD LYS 54 3HD LYS 54 13.329 -23.802 -21.692 499 1HE LYS 54 2HE LYS 54 12.049 -24.467 -23.725 500 2HE LYS 54 3HE LYS 54 12.352 -26.153 -23.309 501 1HZ LYS 54 1HZ LYS 54 10.770 -26.118 -21.760 502 2HZ LYS 54 2HZ LYS 54 10.233 -24.684 -22.479 503 3HZ LYS 54 3HZ LYS 54 11.261 -24.623 -21.136 504 H ASN 55 H ASN 55 19.365 -24.450 -23.383 505 HA ASN 55 HA ASN 55 19.003 -26.359 -25.549 506 1HB ASN 55 2HB ASN 55 21.474 -26.695 -25.296 507 2HB ASN 55 3HB ASN 55 21.010 -25.034 -25.652 508 1HD2 ASN 55 1HD2 ASN 55 22.974 -26.882 -23.817 509 2HD2 ASN 55 2HD2 ASN 55 23.248 -25.805 -22.493 510 H LYS 56 H LYS 56 19.261 -26.289 -22.101 511 HA LYS 56 HA LYS 56 20.021 -29.006 -21.719 512 1HB LYS 56 2HB LYS 56 19.228 -26.740 -20.051 513 2HB LYS 56 3HB LYS 56 18.645 -28.281 -19.436 514 1HG LYS 56 2HG LYS 56 20.658 -28.242 -18.408 515 2HG LYS 56 3HG LYS 56 21.159 -28.986 -19.929 516 1HD LYS 56 2HD LYS 56 22.731 -27.292 -19.579 517 2HD LYS 56 3HD LYS 56 21.594 -26.587 -20.730 518 1HE LYS 56 2HE LYS 56 21.687 -24.861 -19.260 519 2HE LYS 56 3HE LYS 56 20.425 -25.802 -18.467 520 1HZ LYS 56 1HZ LYS 56 23.018 -26.642 -17.650 521 2HZ LYS 56 2HZ LYS 56 21.716 -26.113 -16.708 522 3HZ LYS 56 3HZ LYS 56 22.799 -24.989 -17.361 523 H ASN 57 H ASN 57 18.807 -30.631 -22.443 524 HA ASN 57 HA ASN 57 15.891 -30.402 -22.363 525 1HB ASN 57 2HB ASN 57 17.701 -32.410 -23.720 526 2HB ASN 57 3HB ASN 57 15.942 -32.466 -23.771 527 1HD2 ASN 57 1HD2 ASN 57 17.431 -32.339 -26.067 528 2HD2 ASN 57 2HD2 ASN 57 17.195 -30.804 -26.825 529 H LYS 58 H LYS 58 18.549 -32.304 -21.084 530 HA LYS 58 HA LYS 58 17.187 -34.440 -19.969 531 1HB LYS 58 2HB LYS 58 19.704 -32.993 -19.284 532 2HB LYS 58 3HB LYS 58 19.071 -34.153 -18.123 533 1HG LYS 58 2HG LYS 58 20.511 -35.447 -19.362 534 2HG LYS 58 3HG LYS 58 18.968 -35.752 -20.164 535 1HD LYS 58 2HD LYS 58 19.607 -33.841 -21.735 536 2HD LYS 58 3HD LYS 58 21.232 -33.991 -21.064 537 1HE LYS 58 2HE LYS 58 21.160 -35.294 -23.055 538 2HE LYS 58 3HE LYS 58 21.173 -36.413 -21.693 539 1HZ LYS 58 1HZ LYS 58 18.595 -35.572 -22.820 540 2HZ LYS 58 2HZ LYS 58 19.011 -37.022 -22.056 541 3HZ LYS 58 3HZ LYS 58 19.506 -36.734 -23.647 542 H ALA 59 H ALA 59 17.383 -31.125 -18.898 543 HA ALA 59 HA ALA 59 16.383 -31.562 -16.267 544 1HB ALA 59 1HB ALA 59 17.404 -29.390 -17.721 545 2HB ALA 59 2HB ALA 59 15.775 -28.930 -17.227 546 3HB ALA 59 3HB ALA 59 16.954 -29.433 -16.016 547 H GLU 60 H GLU 60 14.888 -30.571 -19.330 548 HA GLU 60 HA GLU 60 12.297 -30.141 -18.339 549 1HB GLU 60 2HB GLU 60 13.479 -30.668 -21.021 550 2HB GLU 60 3HB GLU 60 11.739 -30.852 -20.844 551 1HG GLU 60 2HG GLU 60 13.289 -28.373 -20.134 552 2HG GLU 60 3HG GLU 60 12.407 -28.622 -21.640 Start of MODEL 9 1 1H GLY -2 H GLY -3 24.371 3.381 -1.310 2 1HA GLY -2 2HA GLY -3 26.465 1.558 -2.175 3 2HA GLY -2 3HA GLY -3 25.518 1.026 -0.794 4 H SER -1 H SER -2 24.002 -0.373 -1.349 5 HA SER -1 HA SER -2 23.141 -0.787 -4.003 6 1HB SER -1 2HB SER -2 21.776 -1.681 -1.452 7 2HB SER -1 3HB SER -2 21.555 -2.374 -3.059 8 HG SER -1 HG SER -2 23.729 -3.028 -3.009 9 H HIS 0 H HIS -1 21.529 0.065 -5.163 10 HA HIS 0 HA HIS -1 19.949 2.194 -3.959 11 1HB HIS 0 2HB HIS -1 20.337 1.320 -6.824 12 2HB HIS 0 3HB HIS -1 19.248 2.618 -6.343 13 HD1 HIS 0 1HD HIS -1 22.095 2.629 -8.035 14 HD2 HIS 0 2HD HIS -1 21.276 4.169 -4.264 15 HE1 HIS 0 1HE HIS -1 23.835 4.400 -7.641 16 H MET 1 H MET 1 19.230 -0.470 -6.225 17 HA MET 1 HA MET 1 16.459 -0.439 -5.801 18 1HB MET 1 2HB MET 1 17.930 -1.611 -7.634 19 2HB MET 1 3HB MET 1 17.877 -2.973 -6.522 20 1HG MET 1 2HG MET 1 15.493 -3.067 -6.644 21 2HG MET 1 3HG MET 1 15.435 -1.573 -7.577 22 1HE MET 1 1HE MET 1 15.206 -1.454 -9.888 23 2HE MET 1 2HE MET 1 15.119 -2.830 -10.988 24 3HE MET 1 3HE MET 1 13.977 -2.696 -9.650 25 H VAL 2 H VAL 2 15.480 -0.770 -3.918 26 HA VAL 2 HA VAL 2 16.283 -3.102 -2.319 27 HB VAL 2 HB VAL 2 15.752 -1.749 -0.252 28 1HG1 VAL 2 1HG1 VAL 2 18.010 -2.248 -0.580 29 2HG1 VAL 2 2HG1 VAL 2 18.135 -1.188 -1.986 30 3HG1 VAL 2 3HG1 VAL 2 17.988 -0.498 -0.369 31 1HG2 VAL 2 1HG2 VAL 2 15.148 0.394 -0.365 32 2HG2 VAL 2 2HG2 VAL 2 16.458 0.780 -1.480 33 3HG2 VAL 2 3HG2 VAL 2 14.931 0.147 -2.098 34 H GLU 3 H GLU 3 14.566 -3.623 -0.640 35 HA GLU 3 HA GLU 3 11.873 -2.950 -1.602 36 1HB GLU 3 2HB GLU 3 13.061 -5.679 -1.222 37 2HB GLU 3 3HB GLU 3 11.332 -5.430 -1.026 38 1HG GLU 3 2HG GLU 3 11.391 -6.012 -3.218 39 2HG GLU 3 3HG GLU 3 11.572 -4.265 -3.371 40 H MET 4 H MET 4 10.231 -3.024 -0.042 41 HA MET 4 HA MET 4 10.739 -3.841 2.651 42 1HB MET 4 2HB MET 4 11.856 -1.491 2.253 43 2HB MET 4 3HB MET 4 10.206 -0.907 2.418 44 1HG MET 4 2HG MET 4 10.061 -1.530 4.628 45 2HG MET 4 3HG MET 4 11.332 -2.741 4.479 46 1HE MET 4 1HE MET 4 13.878 -1.485 6.252 47 2HE MET 4 2HE MET 4 13.287 -2.671 5.089 48 3HE MET 4 3HE MET 4 14.429 -1.429 4.576 49 H ARG 5 H ARG 5 8.864 -3.309 4.091 50 HA ARG 5 HA ARG 5 6.433 -3.908 2.733 51 1HB ARG 5 2HB ARG 5 5.413 -3.733 4.998 52 2HB ARG 5 3HB ARG 5 6.803 -4.809 4.935 53 1HG ARG 5 2HG ARG 5 7.540 -3.707 6.720 54 2HG ARG 5 3HG ARG 5 7.933 -2.399 5.604 55 1HD ARG 5 2HD ARG 5 6.635 -1.599 7.522 56 2HD ARG 5 3HD ARG 5 5.765 -1.379 6.004 57 HE ARG 5 HE ARG 5 4.178 -2.874 6.726 58 1HH1 ARG 5 2HH1 ARG 5 6.959 -3.019 8.817 59 2HH1 ARG 5 1HH1 ARG 5 6.179 -4.015 10.000 60 1HH2 ARG 5 2HH2 ARG 5 3.141 -4.186 8.279 61 2HH2 ARG 5 1HH2 ARG 5 4.008 -4.679 9.694 62 H MET 6 H MET 6 8.050 -1.026 3.284 63 HA MET 6 HA MET 6 5.847 0.715 3.744 64 1HB MET 6 2HB MET 6 7.373 2.491 3.455 65 2HB MET 6 3HB MET 6 8.312 1.194 4.183 66 1HG MET 6 2HG MET 6 8.761 0.660 1.602 67 2HG MET 6 3HG MET 6 8.497 2.398 1.498 68 1HE MET 6 1HE MET 6 9.459 3.894 3.485 69 2HE MET 6 2HE MET 6 9.877 2.826 4.825 70 3HE MET 6 3HE MET 6 11.136 3.761 4.017 71 H LYS 7 H LYS 7 5.967 2.709 1.930 72 HA LYS 7 HA LYS 7 5.431 1.473 -0.680 73 1HB LYS 7 2HB LYS 7 3.463 3.086 -0.867 74 2HB LYS 7 3HB LYS 7 3.250 1.693 0.186 75 1HG LYS 7 2HG LYS 7 4.173 3.474 1.970 76 2HG LYS 7 3HG LYS 7 3.369 4.563 0.836 77 1HD LYS 7 2HD LYS 7 2.104 2.153 2.141 78 2HD LYS 7 3HD LYS 7 1.873 3.828 2.650 79 1HE LYS 7 2HE LYS 7 0.854 4.372 0.529 80 2HE LYS 7 3HE LYS 7 1.192 2.754 -0.086 81 1HZ LYS 7 1HZ LYS 7 -0.960 3.661 1.583 82 2HZ LYS 7 2HZ LYS 7 -0.200 2.279 2.190 83 3HZ LYS 7 3HZ LYS 7 -0.847 2.269 0.628 84 H LYS 8 H LYS 8 4.921 3.406 -2.298 85 HA LYS 8 HA LYS 8 6.651 5.697 -1.767 86 1HB LYS 8 2HB LYS 8 8.066 3.944 -2.832 87 2HB LYS 8 3HB LYS 8 6.986 3.962 -4.220 88 1HG LYS 8 2HG LYS 8 7.526 6.396 -4.488 89 2HG LYS 8 3HG LYS 8 8.768 6.181 -3.252 90 1HD LYS 8 2HD LYS 8 9.912 5.937 -5.282 91 2HD LYS 8 3HD LYS 8 9.649 4.283 -4.723 92 1HE LYS 8 2HE LYS 8 7.491 4.414 -6.157 93 2HE LYS 8 3HE LYS 8 8.295 5.775 -6.938 94 1HZ LYS 8 1HZ LYS 8 9.918 4.434 -7.811 95 2HZ LYS 8 2HZ LYS 8 8.588 3.391 -7.872 96 3HZ LYS 8 3HZ LYS 8 9.733 3.229 -6.636 97 H CYS 9 H CYS 9 6.200 7.516 -3.036 98 HA CYS 9 HA CYS 9 3.507 7.693 -3.959 99 1HB CYS 9 2HB CYS 9 4.702 9.570 -2.856 100 2HB CYS 9 3HB CYS 9 5.753 9.697 -4.262 101 HA PRO 10 HA PRO 10 4.442 6.275 -8.090 102 1HB PRO 10 2HB PRO 10 1.889 6.432 -8.999 103 2HB PRO 10 3HB PRO 10 2.466 5.109 -7.978 104 1HG PRO 10 2HG PRO 10 0.915 7.553 -7.216 105 2HG PRO 10 3HG PRO 10 0.692 5.877 -6.685 106 1HD PRO 10 2HD PRO 10 1.961 7.728 -5.170 107 2HD PRO 10 3HD PRO 10 2.396 6.007 -5.138 108 H LYS 11 H LYS 11 3.475 9.321 -7.030 109 HA LYS 11 HA LYS 11 3.289 10.450 -9.719 110 1HB LYS 11 2HB LYS 11 2.306 11.190 -7.091 111 2HB LYS 11 3HB LYS 11 3.134 12.534 -7.868 112 1HG LYS 11 2HG LYS 11 0.762 12.590 -8.352 113 2HG LYS 11 3HG LYS 11 1.688 12.293 -9.825 114 1HD LYS 11 2HD LYS 11 1.051 10.046 -9.911 115 2HD LYS 11 3HD LYS 11 0.562 10.025 -8.215 116 1HE LYS 11 2HE LYS 11 -1.194 11.778 -8.959 117 2HE LYS 11 3HE LYS 11 -0.860 11.180 -10.584 118 1HZ LYS 11 1HZ LYS 11 -1.226 8.890 -9.301 119 2HZ LYS 11 2HZ LYS 11 -2.485 9.739 -10.047 120 3HZ LYS 11 3HZ LYS 11 -2.239 9.883 -8.379 121 H CYS 12 H CYS 12 5.237 10.718 -6.772 122 HA CYS 12 HA CYS 12 7.244 12.228 -8.303 123 1HB CYS 12 2HB CYS 12 7.159 11.970 -5.301 124 2HB CYS 12 3HB CYS 12 8.021 13.162 -6.267 125 H GLY 13 H GLY 13 7.078 9.796 -5.692 126 1HA GLY 13 2HA GLY 13 8.196 7.631 -6.202 127 2HA GLY 13 3HA GLY 13 9.526 8.592 -6.833 128 H LEU 14 H LEU 14 7.859 9.634 -3.976 129 HA LEU 14 HA LEU 14 10.305 9.279 -2.443 130 1HB LEU 14 2HB LEU 14 9.475 11.391 -2.073 131 2HB LEU 14 3HB LEU 14 7.797 10.854 -2.120 132 HG LEU 14 HG LEU 14 8.090 9.849 0.119 133 1HD1 LEU 14 1HD1 LEU 14 10.649 9.677 -0.257 134 2HD1 LEU 14 2HD1 LEU 14 10.030 10.014 1.360 135 3HD1 LEU 14 3HD1 LEU 14 10.677 11.325 0.373 136 1HD2 LEU 14 1HD2 LEU 14 7.300 12.222 -0.300 137 2HD2 LEU 14 2HD2 LEU 14 8.923 12.739 0.159 138 3HD2 LEU 14 3HD2 LEU 14 7.912 11.872 1.317 139 H TYR 15 H TYR 15 10.595 7.821 -0.865 140 HA TYR 15 HA TYR 15 8.549 5.811 -0.467 141 1HB TYR 15 2HB TYR 15 11.440 6.074 0.275 142 2HB TYR 15 3HB TYR 15 10.439 4.884 1.098 143 HD1 TYR 15 1HD TYR 15 12.002 5.825 -2.075 144 HD2 TYR 15 2HD TYR 15 9.564 2.953 -0.096 145 HE1 TYR 15 1HE TYR 15 12.339 4.261 -3.942 146 HE2 TYR 15 2HE TYR 15 9.896 1.380 -1.957 147 HH TYR 15 HH TYR 15 11.410 0.956 -3.762 148 H THR 16 H THR 16 7.547 5.308 1.463 149 HA THR 16 HA THR 16 8.125 6.485 3.954 150 HB THR 16 HB THR 16 7.306 8.542 2.855 151 HG1 THR 16 1HG THR 16 6.559 9.004 4.772 152 1HG2 THR 16 1HG2 THR 16 5.502 6.930 1.599 153 2HG2 THR 16 2HG2 THR 16 5.375 8.686 1.705 154 3HG2 THR 16 3HG2 THR 16 4.503 7.668 2.850 155 H LEU 17 H LEU 17 6.148 6.255 5.484 156 HA LEU 17 HA LEU 17 4.621 3.857 4.712 157 1HB LEU 17 2HB LEU 17 5.864 4.496 7.381 158 2HB LEU 17 3HB LEU 17 4.763 3.152 7.087 159 HG LEU 17 HG LEU 17 7.101 3.184 5.323 160 1HD1 LEU 17 1HD1 LEU 17 7.442 3.515 8.197 161 2HD1 LEU 17 2HD1 LEU 17 8.618 3.653 6.891 162 3HD1 LEU 17 3HD1 LEU 17 8.227 2.070 7.562 163 1HD2 LEU 17 1HD2 LEU 17 7.046 0.858 5.692 164 2HD2 LEU 17 2HD2 LEU 17 5.359 1.368 5.628 165 3HD2 LEU 17 3HD2 LEU 17 6.122 1.035 7.184 166 H LYS 18 H LYS 18 4.232 6.967 5.109 167 HA LYS 18 HA LYS 18 2.021 6.979 6.987 168 1HB LYS 18 2HB LYS 18 2.877 9.239 5.185 169 2HB LYS 18 3HB LYS 18 1.966 9.340 6.685 170 1HG LYS 18 2HG LYS 18 3.945 8.600 7.928 171 2HG LYS 18 3HG LYS 18 4.857 8.539 6.418 172 1HD LYS 18 2HD LYS 18 5.312 10.611 7.610 173 2HD LYS 18 3HD LYS 18 4.467 10.941 6.097 174 1HE LYS 18 2HE LYS 18 2.557 11.610 7.151 175 2HE LYS 18 3HE LYS 18 2.827 10.560 8.542 176 1HZ LYS 18 1HZ LYS 18 3.077 12.912 9.095 177 2HZ LYS 18 2HZ LYS 18 4.332 13.057 7.970 178 3HZ LYS 18 3HZ LYS 18 4.523 12.067 9.329 179 H GLU 19 H GLU 19 2.346 5.965 3.904 180 HA GLU 19 HA GLU 19 0.891 5.497 2.220 181 1HB GLU 19 2HB GLU 19 -1.245 6.318 4.197 182 2HB GLU 19 3HB GLU 19 -1.485 5.366 2.738 183 1HG GLU 19 2HG GLU 19 0.425 3.929 4.069 184 2HG GLU 19 3HG GLU 19 -0.576 4.550 5.381 185 H ILE 20 H ILE 20 1.694 8.408 3.093 186 HA ILE 20 HA ILE 20 0.204 9.673 0.924 187 HB ILE 20 HB ILE 20 0.429 10.914 3.668 188 1HG1 ILE 20 2HG1 ILE 20 -1.286 9.104 3.446 189 2HG1 ILE 20 3HG1 ILE 20 -1.967 10.686 3.812 190 1HG2 ILE 20 1HG2 ILE 20 -0.603 11.949 1.045 191 2HG2 ILE 20 2HG2 ILE 20 -1.092 12.644 2.590 192 3HG2 ILE 20 3HG2 ILE 20 0.606 12.665 2.111 193 1HD1 ILE 20 1HD1 ILE 20 -2.642 8.946 1.716 194 2HD1 ILE 20 2HD1 ILE 20 -3.257 10.570 2.024 195 3HD1 ILE 20 3HD1 ILE 20 -1.852 10.342 0.982 196 H CYS 21 H CYS 21 1.313 11.297 -0.129 197 HA CYS 21 HA CYS 21 4.169 11.390 0.412 198 1HB CYS 21 2HB CYS 21 3.449 10.999 -1.888 199 2HB CYS 21 3HB CYS 21 2.543 12.507 -1.880 200 HA PRO 22 HA PRO 22 3.492 15.227 2.634 201 1HB PRO 22 2HB PRO 22 6.056 15.455 3.496 202 2HB PRO 22 3HB PRO 22 4.880 14.379 4.256 203 1HG PRO 22 2HG PRO 22 7.026 13.738 2.270 204 2HG PRO 22 3HG PRO 22 6.548 12.848 3.727 205 1HD PRO 22 2HD PRO 22 5.759 12.109 1.244 206 2HD PRO 22 3HD PRO 22 4.750 11.853 2.681 207 H LYS 23 H LYS 23 5.298 14.569 -0.140 208 HA LYS 23 HA LYS 23 6.524 17.171 -0.394 209 1HB LYS 23 2HB LYS 23 6.944 14.663 -1.545 210 2HB LYS 23 3HB LYS 23 6.338 15.657 -2.864 211 1HG LYS 23 2HG LYS 23 8.147 17.071 -2.814 212 2HG LYS 23 3HG LYS 23 8.513 16.716 -1.124 213 1HD LYS 23 2HD LYS 23 8.904 14.282 -2.168 214 2HD LYS 23 3HD LYS 23 9.284 15.263 -3.587 215 1HE LYS 23 2HE LYS 23 10.673 16.612 -1.738 216 2HE LYS 23 3HE LYS 23 10.709 15.010 -1.004 217 1HZ LYS 23 1HZ LYS 23 11.646 15.724 -3.729 218 2HZ LYS 23 2HZ LYS 23 11.586 14.147 -3.119 219 3HZ LYS 23 3HZ LYS 23 12.614 15.290 -2.411 220 H CYS 24 H CYS 24 4.124 15.408 -2.364 221 HA CYS 24 HA CYS 24 3.080 17.988 -3.285 222 1HB CYS 24 2HB CYS 24 1.986 16.718 -5.065 223 2HB CYS 24 3HB CYS 24 3.709 16.361 -5.019 224 H GLY 25 H GLY 25 2.143 15.025 -1.638 225 1HA GLY 25 2HA GLY 25 0.477 15.129 0.104 226 2HA GLY 25 3HA GLY 25 -0.349 16.372 -0.824 227 H GLU 26 H GLU 26 0.919 13.482 -2.317 228 HA GLU 26 HA GLU 26 -1.849 12.603 -2.803 229 1HB GLU 26 2HB GLU 26 -0.812 13.199 -4.870 230 2HB GLU 26 3HB GLU 26 0.647 12.306 -4.469 231 1HG GLU 26 2HG GLU 26 -0.865 11.229 -6.154 232 2HG GLU 26 3HG GLU 26 -0.421 10.227 -4.773 233 H LYS 27 H LYS 27 -2.448 10.540 -2.360 234 HA LYS 27 HA LYS 27 -1.186 9.075 -0.398 235 1HB LYS 27 2HB LYS 27 -2.923 7.880 -2.561 236 2HB LYS 27 3HB LYS 27 -2.682 7.267 -0.930 237 1HG LYS 27 2HG LYS 27 -3.615 9.746 -0.397 238 2HG LYS 27 3HG LYS 27 -4.451 9.395 -1.911 239 1HD LYS 27 2HD LYS 27 -5.411 7.404 -0.999 240 2HD LYS 27 3HD LYS 27 -4.413 7.523 0.453 241 1HE LYS 27 2HE LYS 27 -5.567 9.780 0.826 242 2HE LYS 27 3HE LYS 27 -6.732 9.241 -0.383 243 1HZ LYS 27 1HZ LYS 27 -7.758 8.061 1.163 244 2HZ LYS 27 2HZ LYS 27 -6.675 8.625 2.333 245 3HZ LYS 27 3HZ LYS 27 -6.347 7.190 1.499 246 H THR 28 H THR 28 0.217 7.356 -0.332 247 HA THR 28 HA THR 28 1.890 7.014 -2.694 248 HB THR 28 HB THR 28 3.190 5.522 -0.939 249 HG1 THR 28 1HG THR 28 2.808 6.772 1.164 250 1HG2 THR 28 1HG2 THR 28 4.646 7.226 -0.946 251 2HG2 THR 28 2HG2 THR 28 3.510 8.307 -0.139 252 3HG2 THR 28 3HG2 THR 28 3.441 8.100 -1.889 253 H VAL 29 H VAL 29 2.597 4.869 -3.354 254 HA VAL 29 HA VAL 29 0.699 2.720 -2.710 255 HB VAL 29 HB VAL 29 0.493 2.070 -5.022 256 1HG1 VAL 29 1HG1 VAL 29 0.011 5.039 -4.930 257 2HG1 VAL 29 2HG1 VAL 29 -0.898 3.814 -5.818 258 3HG1 VAL 29 3HG1 VAL 29 -0.987 3.877 -4.057 259 1HG2 VAL 29 1HG2 VAL 29 2.702 3.973 -5.371 260 2HG2 VAL 29 2HG2 VAL 29 2.298 2.521 -6.286 261 3HG2 VAL 29 3HG2 VAL 29 1.462 4.036 -6.625 262 H ILE 30 H ILE 30 1.490 0.581 -3.112 263 HA ILE 30 HA ILE 30 4.183 0.212 -2.367 264 HB ILE 30 HB ILE 30 2.409 -1.865 -3.648 265 1HG1 ILE 30 2HG1 ILE 30 1.176 -0.837 -1.827 266 2HG1 ILE 30 3HG1 ILE 30 1.723 -2.433 -1.327 267 1HG2 ILE 30 1HG2 ILE 30 4.029 -3.312 -3.188 268 2HG2 ILE 30 2HG2 ILE 30 5.055 -1.949 -2.745 269 3HG2 ILE 30 3HG2 ILE 30 4.103 -2.771 -1.511 270 1HD1 ILE 30 1HD1 ILE 30 3.711 -0.553 -0.592 271 2HD1 ILE 30 2HD1 ILE 30 2.143 0.056 -0.058 272 3HD1 ILE 30 3HD1 ILE 30 2.687 -1.544 0.446 273 HA PRO 31 HA PRO 31 5.904 0.793 -6.465 274 1HB PRO 31 2HB PRO 31 8.492 0.630 -5.662 275 2HB PRO 31 3HB PRO 31 7.512 2.087 -5.456 276 1HG PRO 31 2HG PRO 31 8.170 -0.050 -3.466 277 2HG PRO 31 3HG PRO 31 8.146 1.710 -3.251 278 1HD PRO 31 2HD PRO 31 6.119 0.116 -2.429 279 2HD PRO 31 3HD PRO 31 5.856 1.776 -3.000 280 H LYS 32 H LYS 32 5.003 -1.344 -7.028 281 HA LYS 32 HA LYS 32 6.339 -3.757 -6.447 282 1HB LYS 32 2HB LYS 32 4.178 -2.871 -8.212 283 2HB LYS 32 3HB LYS 32 5.119 -4.199 -8.880 284 1HG LYS 32 2HG LYS 32 4.705 -5.514 -6.867 285 2HG LYS 32 3HG LYS 32 3.770 -4.181 -6.186 286 1HD LYS 32 2HD LYS 32 3.063 -5.392 -8.840 287 2HD LYS 32 3HD LYS 32 2.496 -6.101 -7.327 288 1HE LYS 32 2HE LYS 32 0.753 -4.700 -7.692 289 2HE LYS 32 3HE LYS 32 1.820 -3.555 -6.880 290 1HZ LYS 32 1HZ LYS 32 2.157 -3.777 -9.754 291 2HZ LYS 32 2HZ LYS 32 2.164 -2.406 -8.765 292 3HZ LYS 32 3HZ LYS 32 0.695 -3.094 -9.243 293 HA PRO 33 HA PRO 33 9.775 -3.869 -9.175 294 1HB PRO 33 2HB PRO 33 9.748 -6.440 -10.050 295 2HB PRO 33 3HB PRO 33 10.202 -5.991 -8.401 296 1HG PRO 33 2HG PRO 33 7.591 -7.034 -9.429 297 2HG PRO 33 3HG PRO 33 8.470 -7.476 -7.953 298 1HD PRO 33 2HD PRO 33 6.363 -5.776 -7.939 299 2HD PRO 33 3HD PRO 33 7.716 -5.629 -6.800 300 HA PRO 34 HA PRO 34 8.682 -3.282 -13.393 301 1HB PRO 34 2HB PRO 34 10.836 -4.272 -14.716 302 2HB PRO 34 3HB PRO 34 10.882 -2.760 -13.801 303 1HG PRO 34 2HG PRO 34 11.814 -5.489 -12.998 304 2HG PRO 34 3HG PRO 34 12.604 -3.920 -12.754 305 1HD PRO 34 2HD PRO 34 11.222 -5.176 -10.794 306 2HD PRO 34 3HD PRO 34 11.301 -3.407 -10.924 307 H LYS 35 H LYS 35 9.022 -4.602 -15.652 308 HA LYS 35 HA LYS 35 7.136 -6.641 -15.633 309 1HB LYS 35 2HB LYS 35 8.177 -5.231 -17.592 310 2HB LYS 35 3HB LYS 35 9.272 -6.599 -17.728 311 1HG LYS 35 2HG LYS 35 7.581 -7.079 -19.245 312 2HG LYS 35 3HG LYS 35 7.159 -8.041 -17.826 313 1HD LYS 35 2HD LYS 35 5.766 -5.915 -17.181 314 2HD LYS 35 3HD LYS 35 5.864 -5.577 -18.910 315 1HE LYS 35 2HE LYS 35 5.094 -8.062 -19.142 316 2HE LYS 35 3HE LYS 35 4.531 -7.841 -17.486 317 1HZ LYS 35 1HZ LYS 35 3.639 -6.461 -19.936 318 2HZ LYS 35 2HZ LYS 35 3.400 -5.758 -18.417 319 3HZ LYS 35 3HZ LYS 35 2.710 -7.262 -18.771 320 H PHE 36 H PHE 36 7.328 -8.913 -16.009 321 HA PHE 36 HA PHE 36 9.822 -10.051 -14.928 322 1HB PHE 36 2HB PHE 36 8.432 -11.931 -14.105 323 2HB PHE 36 3HB PHE 36 7.969 -10.387 -13.395 324 HD1 PHE 36 1HD PHE 36 6.941 -13.157 -15.494 325 HD2 PHE 36 2HD PHE 36 5.892 -9.275 -14.098 326 HE1 PHE 36 1HE PHE 36 4.619 -13.528 -16.218 327 HE2 PHE 36 2HE PHE 36 3.568 -9.642 -14.818 328 HZ PHE 36 HZ PHE 36 2.928 -11.770 -15.879 329 H SER 37 H SER 37 9.176 -9.459 -17.731 330 HA SER 37 HA SER 37 9.853 -12.055 -18.818 331 1HB SER 37 2HB SER 37 7.594 -10.683 -20.213 332 2HB SER 37 3HB SER 37 8.017 -12.395 -20.178 333 HG SER 37 HG SER 37 6.151 -11.976 -18.943 334 H LEU 38 H LEU 38 9.870 -11.704 -21.412 335 HA LEU 38 HA LEU 38 10.938 -10.720 -23.163 336 1HB LEU 38 2HB LEU 38 9.287 -8.844 -22.317 337 2HB LEU 38 3HB LEU 38 10.791 -8.039 -21.877 338 HG LEU 38 HG LEU 38 11.430 -8.532 -24.371 339 1HD1 LEU 38 1HD1 LEU 38 9.844 -9.391 -25.656 340 2HD1 LEU 38 2HD1 LEU 38 8.797 -8.023 -25.284 341 3HD1 LEU 38 3HD1 LEU 38 8.751 -9.467 -24.274 342 1HD2 LEU 38 1HD2 LEU 38 9.392 -6.394 -23.804 343 2HD2 LEU 38 2HD2 LEU 38 10.733 -6.347 -24.948 344 3HD2 LEU 38 3HD2 LEU 38 11.053 -6.318 -23.214 345 H GLU 39 H GLU 39 12.483 -11.736 -21.016 346 HA GLU 39 HA GLU 39 14.644 -11.817 -20.309 347 1HB GLU 39 2HB GLU 39 14.796 -10.996 -22.890 348 2HB GLU 39 3HB GLU 39 15.588 -9.652 -22.082 349 1HG GLU 39 2HG GLU 39 17.451 -10.830 -22.005 350 2HG GLU 39 3HG GLU 39 16.650 -11.996 -20.954 351 H ASP 40 H ASP 40 12.727 -9.882 -19.182 352 HA ASP 40 HA ASP 40 13.795 -7.406 -18.595 353 1HB ASP 40 2HB ASP 40 12.414 -7.447 -16.559 354 2HB ASP 40 3HB ASP 40 11.528 -8.067 -17.950 355 H ARG 41 H ARG 41 14.579 -6.727 -16.346 356 HA ARG 41 HA ARG 41 17.137 -7.716 -15.919 357 1HB ARG 41 2HB ARG 41 15.346 -6.243 -13.979 358 2HB ARG 41 3HB ARG 41 17.081 -6.456 -13.787 359 1HG ARG 41 2HG ARG 41 17.562 -5.066 -15.620 360 2HG ARG 41 3HG ARG 41 15.892 -5.107 -16.188 361 1HD ARG 41 2HD ARG 41 15.151 -3.722 -14.440 362 2HD ARG 41 3HD ARG 41 16.628 -3.968 -13.510 363 HE ARG 41 HE ARG 41 17.633 -2.301 -14.722 364 1HH1 ARG 41 2HH1 ARG 41 14.684 -3.262 -16.303 365 2HH1 ARG 41 1HH1 ARG 41 14.720 -1.961 -17.447 366 1HH2 ARG 41 2HH2 ARG 41 17.691 -0.584 -16.223 367 2HH2 ARG 41 1HH2 ARG 41 16.432 -0.439 -17.402 368 H TRP 42 H TRP 42 14.084 -8.643 -14.452 369 HA TRP 42 HA TRP 42 15.446 -10.531 -12.683 370 1HB TRP 42 2HB TRP 42 12.669 -9.414 -12.820 371 2HB TRP 42 3HB TRP 42 12.952 -10.935 -11.977 372 HD1 TRP 42 1HD TRP 42 15.525 -8.107 -11.816 373 HE1 TRP 42 1HE TRP 42 15.630 -7.227 -9.400 374 HE3 TRP 42 3HE TRP 42 11.587 -10.699 -9.838 375 HZ2 TRP 42 2HZ TRP 42 14.229 -7.586 -6.975 376 HZ3 TRP 42 3HZ TRP 42 11.036 -10.374 -7.462 377 HH2 TRP 42 2HH TRP 42 12.331 -8.850 -6.062 378 H GLY 43 H GLY 43 15.095 -10.758 -15.701 379 1HA GLY 43 2HA GLY 43 13.272 -12.808 -16.299 380 2HA GLY 43 3HA GLY 43 14.717 -12.432 -17.225 381 H LYS 44 H LYS 44 16.492 -12.923 -14.934 382 HA LYS 44 HA LYS 44 16.718 -15.787 -15.275 383 1HB LYS 44 2HB LYS 44 18.459 -13.881 -13.700 384 2HB LYS 44 3HB LYS 44 18.849 -15.549 -14.096 385 1HG LYS 44 2HG LYS 44 19.294 -15.070 -16.293 386 2HG LYS 44 3HG LYS 44 18.253 -13.645 -16.307 387 1HD LYS 44 2HD LYS 44 20.430 -12.782 -16.377 388 2HD LYS 44 3HD LYS 44 19.947 -12.617 -14.687 389 1HE LYS 44 2HE LYS 44 21.419 -15.050 -15.629 390 2HE LYS 44 3HE LYS 44 22.290 -13.566 -15.246 391 1HZ LYS 44 1HZ LYS 44 20.752 -15.324 -13.454 392 2HZ LYS 44 2HZ LYS 44 20.960 -13.694 -13.056 393 3HZ LYS 44 3HZ LYS 44 22.310 -14.695 -13.255 394 H TYR 45 H TYR 45 15.725 -13.535 -12.816 395 HA TYR 45 HA TYR 45 15.945 -15.159 -10.548 396 1HB TYR 45 2HB TYR 45 15.360 -12.648 -10.730 397 2HB TYR 45 3HB TYR 45 13.699 -13.194 -10.930 398 HD1 TYR 45 1HD TYR 45 12.395 -13.772 -9.064 399 HD2 TYR 45 2HD TYR 45 16.603 -13.329 -8.620 400 HE1 TYR 45 1HE TYR 45 12.148 -13.928 -6.622 401 HE2 TYR 45 2HE TYR 45 16.367 -13.484 -6.177 402 HH TYR 45 HH TYR 45 14.360 -12.966 -4.486 403 H ARG 46 H ARG 46 13.698 -15.207 -13.174 404 HA ARG 46 HA ARG 46 11.479 -16.421 -12.042 405 1HB ARG 46 2HB ARG 46 12.684 -16.370 -14.761 406 2HB ARG 46 3HB ARG 46 11.460 -17.594 -14.446 407 1HG ARG 46 2HG ARG 46 10.692 -14.942 -13.521 408 2HG ARG 46 3HG ARG 46 10.990 -15.023 -15.258 409 1HD ARG 46 2HD ARG 46 9.035 -16.026 -15.570 410 2HD ARG 46 3HD ARG 46 9.505 -17.325 -14.474 411 HE ARG 46 HE ARG 46 7.790 -15.080 -13.884 412 1HH1 ARG 46 2HH1 ARG 46 9.818 -17.594 -12.584 413 2HH1 ARG 46 1HH1 ARG 46 9.043 -17.596 -11.033 414 1HH2 ARG 46 2HH2 ARG 46 6.764 -15.073 -11.848 415 2HH2 ARG 46 1HH2 ARG 46 7.307 -16.162 -10.617 416 H ARG 47 H ARG 47 13.972 -18.184 -13.889 417 HA ARG 47 HA ARG 47 13.220 -20.727 -13.012 418 1HB ARG 47 2HB ARG 47 16.019 -19.921 -13.807 419 2HB ARG 47 3HB ARG 47 15.284 -21.513 -13.942 420 1HG ARG 47 2HG ARG 47 14.564 -19.054 -15.520 421 2HG ARG 47 3HG ARG 47 15.391 -20.496 -16.111 422 1HD ARG 47 2HD ARG 47 13.079 -21.490 -14.977 423 2HD ARG 47 3HD ARG 47 12.552 -19.990 -15.737 424 HE ARG 47 HE ARG 47 12.808 -20.995 -17.766 425 1HH1 ARG 47 2HH1 ARG 47 14.682 -22.748 -15.414 426 2HH1 ARG 47 1HH1 ARG 47 15.132 -24.006 -16.517 427 1HH2 ARG 47 2HH2 ARG 47 13.394 -22.645 -19.229 428 2HH2 ARG 47 1HH2 ARG 47 14.399 -23.946 -18.687 429 H MET 48 H MET 48 15.049 -18.260 -11.450 430 HA MET 48 HA MET 48 16.112 -20.121 -9.462 431 1HB MET 48 2HB MET 48 16.522 -17.135 -9.689 432 2HB MET 48 3HB MET 48 17.394 -18.232 -8.627 433 1HG MET 48 2HG MET 48 17.438 -18.548 -11.607 434 2HG MET 48 3HG MET 48 18.548 -17.470 -10.765 435 1HE MET 48 1HE MET 48 18.201 -21.171 -12.043 436 2HE MET 48 2HE MET 48 19.116 -19.813 -12.696 437 3HE MET 48 3HE MET 48 19.963 -21.185 -11.980 438 H LEU 49 H LEU 49 13.225 -19.429 -9.742 439 HA LEU 49 HA LEU 49 12.778 -18.181 -7.114 440 1HB LEU 49 2HB LEU 49 11.739 -17.327 -9.378 441 2HB LEU 49 3HB LEU 49 10.577 -18.616 -9.074 442 HG LEU 49 HG LEU 49 11.111 -16.645 -6.905 443 1HD1 LEU 49 1HD1 LEU 49 10.608 -15.645 -9.362 444 2HD1 LEU 49 2HD1 LEU 49 10.070 -14.896 -7.859 445 3HD1 LEU 49 3HD1 LEU 49 8.966 -15.918 -8.781 446 1HD2 LEU 49 1HD2 LEU 49 9.426 -18.790 -7.213 447 2HD2 LEU 49 2HD2 LEU 49 8.380 -17.417 -7.574 448 3HD2 LEU 49 3HD2 LEU 49 9.236 -17.493 -6.034 449 H LYS 50 H LYS 50 12.331 -21.040 -9.015 450 HA LYS 50 HA LYS 50 11.663 -22.584 -6.709 451 1HB LYS 50 2HB LYS 50 9.494 -23.446 -7.880 452 2HB LYS 50 3HB LYS 50 9.437 -21.982 -6.907 453 1HG LYS 50 2HG LYS 50 8.204 -21.655 -8.947 454 2HG LYS 50 3HG LYS 50 9.646 -20.638 -8.958 455 1HD LYS 50 2HD LYS 50 10.731 -21.994 -10.524 456 2HD LYS 50 3HD LYS 50 9.647 -23.356 -10.230 457 1HE LYS 50 2HE LYS 50 8.592 -20.777 -11.327 458 2HE LYS 50 3HE LYS 50 9.366 -21.951 -12.390 459 1HZ LYS 50 1HZ LYS 50 6.749 -21.980 -11.314 460 2HZ LYS 50 2HZ LYS 50 7.578 -23.377 -10.842 461 3HZ LYS 50 3HZ LYS 50 7.431 -22.995 -12.484 462 H ARG 51 H ARG 51 11.383 -24.905 -7.250 463 HA ARG 51 HA ARG 51 12.754 -25.569 -9.773 464 1HB ARG 51 2HB ARG 51 13.545 -27.630 -8.450 465 2HB ARG 51 3HB ARG 51 14.318 -26.086 -8.112 466 1HG ARG 51 2HG ARG 51 13.236 -25.853 -6.063 467 2HG ARG 51 3HG ARG 51 12.002 -27.045 -6.475 468 1HD ARG 51 2HD ARG 51 13.911 -28.737 -6.555 469 2HD ARG 51 3HD ARG 51 14.881 -27.503 -5.751 470 HE ARG 51 HE ARG 51 12.833 -29.128 -4.576 471 1HH1 ARG 51 2HH1 ARG 51 14.517 -26.088 -4.374 472 2HH1 ARG 51 1HH1 ARG 51 14.210 -25.881 -2.681 473 1HH2 ARG 51 2HH2 ARG 51 12.422 -28.868 -2.347 474 2HH2 ARG 51 1HH2 ARG 51 13.019 -27.464 -1.529 475 H ALA 52 H ALA 52 12.335 -27.820 -10.531 476 HA ALA 52 HA ALA 52 9.484 -28.316 -10.488 477 1HB ALA 52 1HB ALA 52 9.878 -29.834 -12.293 478 2HB ALA 52 2HB ALA 52 10.834 -28.380 -12.582 479 3HB ALA 52 3HB ALA 52 11.613 -29.841 -11.977 480 H LEU 53 H LEU 53 12.341 -29.623 -9.046 481 HA LEU 53 HA LEU 53 11.653 -32.246 -8.543 482 1HB LEU 53 2HB LEU 53 13.661 -30.544 -7.760 483 2HB LEU 53 3HB LEU 53 12.852 -30.915 -6.238 484 HG LEU 53 HG LEU 53 13.156 -33.358 -6.817 485 1HD1 LEU 53 1HD1 LEU 53 13.726 -33.722 -8.952 486 2HD1 LEU 53 2HD1 LEU 53 15.363 -33.366 -8.403 487 3HD1 LEU 53 3HD1 LEU 53 14.392 -32.102 -9.157 488 1HD2 LEU 53 1HD2 LEU 53 14.840 -33.215 -5.382 489 2HD2 LEU 53 2HD2 LEU 53 14.914 -31.477 -5.674 490 3HD2 LEU 53 3HD2 LEU 53 15.898 -32.576 -6.641 491 H LYS 54 H LYS 54 10.152 -33.239 -7.361 492 HA LYS 54 HA LYS 54 8.404 -31.600 -5.679 493 1HB LYS 54 2HB LYS 54 7.602 -33.210 -7.561 494 2HB LYS 54 3HB LYS 54 7.892 -34.474 -6.374 495 1HG LYS 54 2HG LYS 54 6.252 -32.141 -5.551 496 2HG LYS 54 3HG LYS 54 5.534 -33.327 -6.644 497 1HD LYS 54 2HD LYS 54 6.577 -35.003 -4.850 498 2HD LYS 54 3HD LYS 54 6.352 -33.599 -3.805 499 1HE LYS 54 2HE LYS 54 4.322 -34.633 -3.558 500 2HE LYS 54 3HE LYS 54 3.970 -33.563 -4.914 501 1HZ LYS 54 1HZ LYS 54 5.021 -36.139 -5.675 502 2HZ LYS 54 2HZ LYS 54 3.702 -35.283 -6.295 503 3HZ LYS 54 3HZ LYS 54 3.522 -36.214 -4.895 504 H ASN 55 H ASN 55 8.372 -31.764 -3.525 505 HA ASN 55 HA ASN 55 9.777 -34.039 -2.288 506 1HB ASN 55 2HB ASN 55 9.666 -31.254 -1.126 507 2HB ASN 55 3HB ASN 55 10.671 -32.601 -0.603 508 1HD2 ASN 55 1HD2 ASN 55 11.932 -33.521 -2.658 509 2HD2 ASN 55 2HD2 ASN 55 12.840 -32.310 -3.493 510 H LYS 56 H LYS 56 8.965 -34.799 -0.299 511 HA LYS 56 HA LYS 56 6.145 -34.763 -0.075 512 1HB LYS 56 2HB LYS 56 8.153 -36.394 0.839 513 2HB LYS 56 3HB LYS 56 7.618 -35.610 2.319 514 1HG LYS 56 2HG LYS 56 5.521 -36.546 2.222 515 2HG LYS 56 3HG LYS 56 5.593 -36.785 0.475 516 1HD LYS 56 2HD LYS 56 7.565 -38.260 2.124 517 2HD LYS 56 3HD LYS 56 5.883 -38.786 2.219 518 1HE LYS 56 2HE LYS 56 7.346 -38.393 -0.382 519 2HE LYS 56 3HE LYS 56 7.304 -39.932 0.476 520 1HZ LYS 56 1HZ LYS 56 5.290 -38.694 -1.142 521 2HZ LYS 56 2HZ LYS 56 4.694 -39.187 0.363 522 3HZ LYS 56 3HZ LYS 56 5.443 -40.308 -0.658 523 H ASN 57 H ASN 57 4.797 -33.563 1.134 524 HA ASN 57 HA ASN 57 6.006 -31.563 2.930 525 1HB ASN 57 2HB ASN 57 3.706 -30.380 2.448 526 2HB ASN 57 3HB ASN 57 5.029 -30.255 1.292 527 1HD2 ASN 57 1HD2 ASN 57 1.830 -31.218 1.807 528 2HD2 ASN 57 2HD2 ASN 57 1.543 -31.946 0.267 529 H LYS 58 H LYS 58 3.649 -34.074 2.581 530 HA LYS 58 HA LYS 58 2.294 -35.142 4.063 531 1HB LYS 58 2HB LYS 58 4.535 -34.981 5.370 532 2HB LYS 58 3HB LYS 58 3.709 -33.751 6.318 533 1HG LYS 58 2HG LYS 58 1.952 -35.393 6.862 534 2HG LYS 58 3HG LYS 58 2.861 -36.621 5.977 535 1HD LYS 58 2HD LYS 58 4.201 -35.072 8.153 536 2HD LYS 58 3HD LYS 58 3.120 -36.403 8.570 537 1HE LYS 58 2HE LYS 58 4.447 -37.966 7.370 538 2HE LYS 58 3HE LYS 58 5.395 -36.683 6.618 539 1HZ LYS 58 1HZ LYS 58 5.449 -37.572 9.442 540 2HZ LYS 58 2HZ LYS 58 6.119 -36.099 8.947 541 3HZ LYS 58 3HZ LYS 58 6.723 -37.553 8.328 542 H ALA 59 H ALA 59 1.238 -32.859 2.981 543 HA ALA 59 HA ALA 59 0.213 -31.052 4.921 544 1HB ALA 59 1HB ALA 59 -1.408 -30.472 3.040 545 2HB ALA 59 2HB ALA 59 0.311 -30.232 2.727 546 3HB ALA 59 3HB ALA 59 -0.515 -31.644 2.070 547 H GLU 60 H GLU 60 -2.099 -30.779 5.415 548 HA GLU 60 HA GLU 60 -3.231 -33.280 6.284 549 1HB GLU 60 2HB GLU 60 -4.487 -30.545 6.491 550 2HB GLU 60 3HB GLU 60 -4.833 -31.963 7.472 551 1HG GLU 60 2HG GLU 60 -2.244 -30.428 7.459 552 2HG GLU 60 3HG GLU 60 -3.506 -30.317 8.686 Start of MODEL 10 1 1H GLY -2 H GLY -3 30.151 -0.434 2.171 2 1HA GLY -2 2HA GLY -3 27.338 -0.221 1.371 3 2HA GLY -2 3HA GLY -3 28.213 -1.714 1.676 4 H SER -1 H SER -2 25.686 -1.231 2.731 5 HA SER -1 HA SER -2 26.263 -1.506 5.553 6 1HB SER -1 2HB SER -2 24.462 0.706 4.541 7 2HB SER -1 3HB SER -2 24.584 0.205 6.227 8 HG SER -1 HG SER -2 26.329 1.694 4.686 9 H HIS 0 H HIS -1 24.861 -2.855 6.547 10 HA HIS 0 HA HIS -1 22.956 -4.252 4.918 11 1HB HIS 0 2HB HIS -1 23.782 -4.495 7.808 12 2HB HIS 0 3HB HIS -1 22.502 -5.483 7.111 13 HD1 HIS 0 1HD HIS -1 23.831 -6.131 4.393 14 HD2 HIS 0 2HD HIS -1 25.748 -6.368 8.071 15 HE1 HIS 0 1HE HIS -1 25.733 -7.742 4.057 16 H MET 1 H MET 1 20.733 -4.297 5.100 17 HA MET 1 HA MET 1 19.523 -2.266 6.855 18 1HB MET 1 2HB MET 1 17.919 -1.731 5.085 19 2HB MET 1 3HB MET 1 19.568 -1.424 4.558 20 1HG MET 1 2HG MET 1 18.364 -4.064 3.934 21 2HG MET 1 3HG MET 1 17.822 -2.657 3.023 22 1HE MET 1 1HE MET 1 18.711 -2.813 0.654 23 2HE MET 1 2HE MET 1 20.124 -3.788 0.250 24 3HE MET 1 3HE MET 1 18.760 -4.519 1.097 25 H VAL 2 H VAL 2 17.244 -2.649 7.351 26 HA VAL 2 HA VAL 2 16.736 -5.511 7.673 27 HB VAL 2 HB VAL 2 16.622 -4.051 9.669 28 1HG1 VAL 2 1HG1 VAL 2 14.016 -2.934 8.822 29 2HG1 VAL 2 2HG1 VAL 2 15.257 -2.250 9.872 30 3HG1 VAL 2 3HG1 VAL 2 15.462 -2.210 8.121 31 1HG2 VAL 2 1HG2 VAL 2 14.640 -5.013 10.586 32 2HG2 VAL 2 2HG2 VAL 2 13.918 -5.193 8.987 33 3HG2 VAL 2 3HG2 VAL 2 15.311 -6.174 9.441 34 H GLU 3 H GLU 3 14.818 -6.502 7.043 35 HA GLU 3 HA GLU 3 13.528 -5.278 4.756 36 1HB GLU 3 2HB GLU 3 13.629 -8.009 5.943 37 2HB GLU 3 3HB GLU 3 12.245 -7.600 4.940 38 1HG GLU 3 2HG GLU 3 14.126 -6.769 3.291 39 2HG GLU 3 3HG GLU 3 15.099 -7.926 4.198 40 H MET 4 H MET 4 11.916 -3.900 5.110 41 HA MET 4 HA MET 4 9.754 -4.717 6.906 42 1HB MET 4 2HB MET 4 11.402 -2.242 7.118 43 2HB MET 4 3HB MET 4 9.682 -2.125 7.471 44 1HG MET 4 2HG MET 4 11.421 -4.189 8.773 45 2HG MET 4 3HG MET 4 11.277 -2.552 9.412 46 1HE MET 4 1HE MET 4 10.215 -5.950 9.982 47 2HE MET 4 2HE MET 4 10.605 -4.874 11.323 48 3HE MET 4 3HE MET 4 9.000 -5.597 11.211 49 H ARG 5 H ARG 5 7.713 -3.787 6.416 50 HA ARG 5 HA ARG 5 7.217 -3.451 3.663 51 1HB ARG 5 2HB ARG 5 5.509 -4.331 5.140 52 2HB ARG 5 3HB ARG 5 5.487 -2.833 6.062 53 1HG ARG 5 2HG ARG 5 4.939 -2.586 3.176 54 2HG ARG 5 3HG ARG 5 3.719 -3.422 4.138 55 1HD ARG 5 2HD ARG 5 4.717 -0.969 5.374 56 2HD ARG 5 3HD ARG 5 3.919 -0.707 3.823 57 HE ARG 5 HE ARG 5 2.690 -1.541 6.292 58 1HH1 ARG 5 2HH1 ARG 5 2.414 -1.435 2.823 59 2HH1 ARG 5 1HH1 ARG 5 0.687 -1.573 2.825 60 1HH2 ARG 5 2HH2 ARG 5 0.416 -1.723 6.308 61 2HH2 ARG 5 1HH2 ARG 5 -0.449 -1.735 4.808 62 H MET 6 H MET 6 6.506 -1.624 2.499 63 HA MET 6 HA MET 6 6.362 0.981 3.561 64 1HB MET 6 2HB MET 6 8.876 0.420 3.699 65 2HB MET 6 3HB MET 6 8.869 0.580 1.948 66 1HG MET 6 2HG MET 6 8.465 2.842 2.019 67 2HG MET 6 3HG MET 6 7.741 2.769 3.624 68 1HE MET 6 1HE MET 6 8.583 3.787 5.298 69 2HE MET 6 2HE MET 6 9.620 2.569 6.039 70 3HE MET 6 3HE MET 6 10.253 4.183 5.708 71 H LYS 7 H LYS 7 6.042 2.613 1.905 72 HA LYS 7 HA LYS 7 5.466 1.488 -0.754 73 1HB LYS 7 2HB LYS 7 3.487 3.053 -0.824 74 2HB LYS 7 3HB LYS 7 3.337 1.697 0.286 75 1HG LYS 7 2HG LYS 7 4.330 3.493 1.981 76 2HG LYS 7 3HG LYS 7 3.550 4.593 0.841 77 1HD LYS 7 2HD LYS 7 2.228 2.289 2.275 78 2HD LYS 7 3HD LYS 7 2.038 4.000 2.664 79 1HE LYS 7 2HE LYS 7 1.057 4.397 0.465 80 2HE LYS 7 3HE LYS 7 1.272 2.696 0.053 81 1HZ LYS 7 1HZ LYS 7 -0.760 2.406 0.868 82 2HZ LYS 7 2HZ LYS 7 -0.803 3.945 1.568 83 3HZ LYS 7 3HZ LYS 7 -0.106 2.653 2.408 84 H LYS 8 H LYS 8 4.981 3.408 -2.331 85 HA LYS 8 HA LYS 8 6.679 5.719 -1.780 86 1HB LYS 8 2HB LYS 8 8.139 4.041 -2.856 87 2HB LYS 8 3HB LYS 8 7.032 3.969 -4.222 88 1HG LYS 8 2HG LYS 8 7.463 6.384 -4.620 89 2HG LYS 8 3HG LYS 8 8.686 6.327 -3.348 90 1HD LYS 8 2HD LYS 8 10.012 5.954 -5.171 91 2HD LYS 8 3HD LYS 8 9.569 4.290 -4.786 92 1HE LYS 8 2HE LYS 8 7.545 5.378 -6.453 93 2HE LYS 8 3HE LYS 8 9.107 5.747 -7.183 94 1HZ LYS 8 1HZ LYS 8 9.222 3.113 -6.321 95 2HZ LYS 8 2HZ LYS 8 9.169 3.674 -7.915 96 3HZ LYS 8 3HZ LYS 8 7.734 3.286 -7.107 97 H CYS 9 H CYS 9 6.219 7.539 -3.056 98 HA CYS 9 HA CYS 9 3.515 7.708 -3.946 99 1HB CYS 9 2HB CYS 9 4.708 9.591 -2.860 100 2HB CYS 9 3HB CYS 9 5.753 9.716 -4.270 101 HA PRO 10 HA PRO 10 4.392 6.296 -8.089 102 1HB PRO 10 2HB PRO 10 1.831 6.472 -8.971 103 2HB PRO 10 3HB PRO 10 2.408 5.144 -7.957 104 1HG PRO 10 2HG PRO 10 0.884 7.600 -7.177 105 2HG PRO 10 3HG PRO 10 0.654 5.925 -6.645 106 1HD PRO 10 2HD PRO 10 1.953 7.765 -5.142 107 2HD PRO 10 3HD PRO 10 2.376 6.041 -5.116 108 H LYS 11 H LYS 11 3.473 9.347 -7.016 109 HA LYS 11 HA LYS 11 3.270 10.479 -9.705 110 1HB LYS 11 2HB LYS 11 2.281 11.213 -7.083 111 2HB LYS 11 3HB LYS 11 3.136 12.555 -7.832 112 1HG LYS 11 2HG LYS 11 0.765 12.643 -8.335 113 2HG LYS 11 3HG LYS 11 1.707 12.372 -9.803 114 1HD LYS 11 2HD LYS 11 0.980 10.200 -10.030 115 2HD LYS 11 3HD LYS 11 0.651 10.018 -8.306 116 1HE LYS 11 2HE LYS 11 -1.492 10.205 -9.019 117 2HE LYS 11 3HE LYS 11 -1.131 11.926 -8.878 118 1HZ LYS 11 1HZ LYS 11 -2.202 11.133 -11.020 119 2HZ LYS 11 2HZ LYS 11 -0.701 10.453 -11.406 120 3HZ LYS 11 3HZ LYS 11 -0.838 12.122 -11.171 121 H CYS 12 H CYS 12 5.241 10.707 -6.774 122 HA CYS 12 HA CYS 12 7.249 12.212 -8.312 123 1HB CYS 12 2HB CYS 12 7.169 11.976 -5.309 124 2HB CYS 12 3HB CYS 12 8.033 13.158 -6.285 125 H GLY 13 H GLY 13 7.062 9.793 -5.691 126 1HA GLY 13 2HA GLY 13 8.162 7.620 -6.158 127 2HA GLY 13 3HA GLY 13 9.488 8.552 -6.840 128 H LEU 14 H LEU 14 7.793 9.477 -3.917 129 HA LEU 14 HA LEU 14 10.302 9.197 -2.441 130 1HB LEU 14 2HB LEU 14 9.518 11.320 -2.070 131 2HB LEU 14 3HB LEU 14 7.829 10.820 -2.118 132 HG LEU 14 HG LEU 14 8.090 9.829 0.129 133 1HD1 LEU 14 1HD1 LEU 14 10.652 9.604 -0.247 134 2HD1 LEU 14 2HD1 LEU 14 10.031 9.939 1.368 135 3HD1 LEU 14 3HD1 LEU 14 10.707 11.245 0.396 136 1HD2 LEU 14 1HD2 LEU 14 7.303 12.167 -0.237 137 2HD2 LEU 14 2HD2 LEU 14 8.953 12.716 0.052 138 3HD2 LEU 14 3HD2 LEU 14 8.059 11.896 1.333 139 H TYR 15 H TYR 15 10.608 7.712 -0.903 140 HA TYR 15 HA TYR 15 8.561 5.734 -0.441 141 1HB TYR 15 2HB TYR 15 11.456 5.971 0.010 142 2HB TYR 15 3HB TYR 15 10.602 5.084 1.269 143 HD1 TYR 15 1HD TYR 15 10.987 5.236 -2.437 144 HD2 TYR 15 2HD TYR 15 10.124 2.829 0.964 145 HE1 TYR 15 1HE TYR 15 10.978 3.233 -3.864 146 HE2 TYR 15 2HE TYR 15 10.114 0.820 -0.454 147 HH TYR 15 HH TYR 15 11.350 0.749 -3.552 148 H THR 16 H THR 16 7.583 5.233 1.513 149 HA THR 16 HA THR 16 8.129 6.477 3.975 150 HB THR 16 HB THR 16 7.263 8.486 2.791 151 HG1 THR 16 1HG THR 16 6.355 9.096 4.623 152 1HG2 THR 16 1HG2 THR 16 4.532 7.265 2.874 153 2HG2 THR 16 2HG2 THR 16 5.571 7.011 1.472 154 3HG2 THR 16 3HG2 THR 16 5.111 8.646 1.945 155 H LEU 17 H LEU 17 5.950 6.380 5.393 156 HA LEU 17 HA LEU 17 4.530 3.900 4.705 157 1HB LEU 17 2HB LEU 17 6.038 4.563 7.195 158 2HB LEU 17 3HB LEU 17 4.623 3.516 7.288 159 HG LEU 17 HG LEU 17 6.809 2.860 5.362 160 1HD1 LEU 17 1HD1 LEU 17 8.040 1.668 7.025 161 2HD1 LEU 17 2HD1 LEU 17 6.857 2.074 8.269 162 3HD1 LEU 17 3HD1 LEU 17 7.868 3.337 7.567 163 1HD2 LEU 17 1HD2 LEU 17 4.569 1.475 6.740 164 2HD2 LEU 17 2HD2 LEU 17 6.008 0.538 6.336 165 3HD2 LEU 17 3HD2 LEU 17 5.109 1.366 5.065 166 H LYS 18 H LYS 18 4.217 7.064 5.227 167 HA LYS 18 HA LYS 18 1.962 7.076 7.025 168 1HB LYS 18 2HB LYS 18 3.199 9.211 5.284 169 2HB LYS 18 3HB LYS 18 1.805 9.494 6.319 170 1HG LYS 18 2HG LYS 18 3.565 8.371 8.066 171 2HG LYS 18 3HG LYS 18 4.640 9.274 6.996 172 1HD LYS 18 2HD LYS 18 2.185 10.475 8.265 173 2HD LYS 18 3HD LYS 18 3.785 10.533 9.010 174 1HE LYS 18 2HE LYS 18 4.634 11.646 6.954 175 2HE LYS 18 3HE LYS 18 2.980 11.691 6.344 176 1HZ LYS 18 1HZ LYS 18 3.877 13.747 7.529 177 2HZ LYS 18 2HZ LYS 18 3.674 12.870 8.961 178 3HZ LYS 18 3HZ LYS 18 2.340 13.198 7.973 179 H GLU 19 H GLU 19 2.297 6.038 3.949 180 HA GLU 19 HA GLU 19 0.842 5.547 2.270 181 1HB GLU 19 2HB GLU 19 -1.302 6.411 4.219 182 2HB GLU 19 3HB GLU 19 -1.532 5.427 2.780 183 1HG GLU 19 2HG GLU 19 0.354 4.002 4.137 184 2HG GLU 19 3HG GLU 19 -0.616 4.674 5.448 185 H ILE 20 H ILE 20 1.643 8.472 3.125 186 HA ILE 20 HA ILE 20 0.180 9.712 0.922 187 HB ILE 20 HB ILE 20 0.389 10.998 3.646 188 1HG1 ILE 20 2HG1 ILE 20 -1.316 9.174 3.456 189 2HG1 ILE 20 3HG1 ILE 20 -2.003 10.758 3.797 190 1HG2 ILE 20 1HG2 ILE 20 -0.509 11.981 0.973 191 2HG2 ILE 20 2HG2 ILE 20 -1.230 12.637 2.441 192 3HG2 ILE 20 3HG2 ILE 20 0.508 12.774 2.176 193 1HD1 ILE 20 1HD1 ILE 20 -2.691 8.985 1.743 194 2HD1 ILE 20 2HD1 ILE 20 -3.286 10.625 2.004 195 3HD1 ILE 20 3HD1 ILE 20 -1.884 10.349 0.970 196 H CYS 21 H CYS 21 1.304 11.312 -0.148 197 HA CYS 21 HA CYS 21 4.155 11.396 0.401 198 1HB CYS 21 2HB CYS 21 3.426 11.022 -1.900 199 2HB CYS 21 3HB CYS 21 2.536 12.538 -1.883 200 HA PRO 22 HA PRO 22 3.529 15.229 2.640 201 1HB PRO 22 2HB PRO 22 6.105 15.444 3.468 202 2HB PRO 22 3HB PRO 22 4.935 14.368 4.240 203 1HG PRO 22 2HG PRO 22 7.052 13.729 2.223 204 2HG PRO 22 3HG PRO 22 6.590 12.833 3.681 205 1HD PRO 22 2HD PRO 22 5.766 12.110 1.206 206 2HD PRO 22 3HD PRO 22 4.775 11.851 2.655 207 H LYS 23 H LYS 23 5.294 14.577 -0.162 208 HA LYS 23 HA LYS 23 6.522 17.180 -0.419 209 1HB LYS 23 2HB LYS 23 6.940 14.676 -1.575 210 2HB LYS 23 3HB LYS 23 6.308 15.663 -2.887 211 1HG LYS 23 2HG LYS 23 8.112 17.076 -2.880 212 2HG LYS 23 3HG LYS 23 8.495 16.756 -1.187 213 1HD LYS 23 2HD LYS 23 8.888 14.305 -2.210 214 2HD LYS 23 3HD LYS 23 9.275 15.280 -3.629 215 1HE LYS 23 2HE LYS 23 10.906 16.540 -2.331 216 2HE LYS 23 3HE LYS 23 10.495 15.614 -0.889 217 1HZ LYS 23 1HZ LYS 23 11.205 13.946 -3.105 218 2HZ LYS 23 2HZ LYS 23 11.800 13.946 -1.523 219 3HZ LYS 23 3HZ LYS 23 12.455 15.000 -2.673 220 H CYS 24 H CYS 24 4.109 15.420 -2.378 221 HA CYS 24 HA CYS 24 3.052 18.004 -3.273 222 1HB CYS 24 2HB CYS 24 1.933 16.725 -5.045 223 2HB CYS 24 3HB CYS 24 3.665 16.416 -5.034 224 H GLY 25 H GLY 25 2.125 15.013 -1.664 225 1HA GLY 25 2HA GLY 25 0.473 15.115 0.102 226 2HA GLY 25 3HA GLY 25 -0.369 16.346 -0.828 227 H GLU 26 H GLU 26 0.920 13.493 -2.357 228 HA GLU 26 HA GLU 26 -1.838 12.583 -2.832 229 1HB GLU 26 2HB GLU 26 -0.789 13.159 -4.897 230 2HB GLU 26 3HB GLU 26 0.675 12.284 -4.472 231 1HG GLU 26 2HG GLU 26 -0.803 11.170 -6.157 232 2HG GLU 26 3HG GLU 26 -0.372 10.190 -4.756 233 H LYS 27 H LYS 27 -2.433 10.519 -2.381 234 HA LYS 27 HA LYS 27 -1.178 9.077 -0.393 235 1HB LYS 27 2HB LYS 27 -2.901 7.845 -2.544 236 2HB LYS 27 3HB LYS 27 -2.682 7.275 -0.895 237 1HG LYS 27 2HG LYS 27 -3.621 9.747 -0.411 238 2HG LYS 27 3HG LYS 27 -4.413 9.408 -1.950 239 1HD LYS 27 2HD LYS 27 -4.458 7.319 0.174 240 2HD LYS 27 3HD LYS 27 -5.523 8.718 0.338 241 1HE LYS 27 2HE LYS 27 -6.730 8.182 -1.561 242 2HE LYS 27 3HE LYS 27 -5.423 7.217 -2.244 243 1HZ LYS 27 1HZ LYS 27 -5.883 5.454 -0.789 244 2HZ LYS 27 2HZ LYS 27 -7.397 5.961 -1.348 245 3HZ LYS 27 3HZ LYS 27 -6.877 6.400 0.201 246 H THR 28 H THR 28 0.237 7.375 -0.304 247 HA THR 28 HA THR 28 1.922 7.012 -2.649 248 HB THR 28 HB THR 28 3.205 5.518 -0.896 249 HG1 THR 28 1HG THR 28 2.821 6.591 1.235 250 1HG2 THR 28 1HG2 THR 28 4.646 7.249 -0.733 251 2HG2 THR 28 2HG2 THR 28 3.412 8.349 -0.116 252 3HG2 THR 28 3HG2 THR 28 3.532 8.039 -1.848 253 H VAL 29 H VAL 29 2.647 4.850 -3.276 254 HA VAL 29 HA VAL 29 0.740 2.707 -2.659 255 HB VAL 29 HB VAL 29 0.515 2.073 -4.972 256 1HG1 VAL 29 1HG1 VAL 29 -0.924 3.769 -5.706 257 2HG1 VAL 29 2HG1 VAL 29 -0.916 3.931 -3.948 258 3HG1 VAL 29 3HG1 VAL 29 0.035 5.036 -4.941 259 1HG2 VAL 29 1HG2 VAL 29 1.476 4.068 -6.557 260 2HG2 VAL 29 2HG2 VAL 29 2.732 3.959 -5.324 261 3HG2 VAL 29 3HG2 VAL 29 2.294 2.532 -6.263 262 H ILE 30 H ILE 30 1.534 0.578 -3.037 263 HA ILE 30 HA ILE 30 4.242 0.219 -2.342 264 HB ILE 30 HB ILE 30 2.446 -1.873 -3.568 265 1HG1 ILE 30 2HG1 ILE 30 1.250 -0.818 -1.733 266 2HG1 ILE 30 3HG1 ILE 30 1.795 -2.418 -1.238 267 1HG2 ILE 30 1HG2 ILE 30 5.082 -2.030 -2.914 268 2HG2 ILE 30 2HG2 ILE 30 4.315 -2.582 -1.426 269 3HG2 ILE 30 3HG2 ILE 30 3.972 -3.399 -2.951 270 1HD1 ILE 30 1HD1 ILE 30 2.238 0.054 0.034 271 2HD1 ILE 30 2HD1 ILE 30 2.827 -1.541 0.505 272 3HD1 ILE 30 3HD1 ILE 30 3.799 -0.519 -0.554 273 HA PRO 31 HA PRO 31 5.881 0.763 -6.479 274 1HB PRO 31 2HB PRO 31 8.484 0.609 -5.725 275 2HB PRO 31 3HB PRO 31 7.507 2.067 -5.514 276 1HG PRO 31 2HG PRO 31 8.206 -0.050 -3.516 277 2HG PRO 31 3HG PRO 31 8.185 1.712 -3.318 278 1HD PRO 31 2HD PRO 31 6.175 0.123 -2.440 279 2HD PRO 31 3HD PRO 31 5.900 1.777 -3.023 280 H LYS 32 H LYS 32 5.274 -1.162 -7.454 281 HA LYS 32 HA LYS 32 6.109 -3.728 -6.764 282 1HB LYS 32 2HB LYS 32 4.861 -2.446 -9.084 283 2HB LYS 32 3HB LYS 32 5.823 -3.859 -9.500 284 1HG LYS 32 2HG LYS 32 4.533 -5.253 -8.057 285 2HG LYS 32 3HG LYS 32 3.683 -3.859 -7.384 286 1HD LYS 32 2HD LYS 32 3.571 -4.588 -10.303 287 2HD LYS 32 3HD LYS 32 2.423 -5.212 -9.117 288 1HE LYS 32 2HE LYS 32 2.165 -2.671 -8.508 289 2HE LYS 32 3HE LYS 32 2.783 -2.434 -10.142 290 1HZ LYS 32 1HZ LYS 32 0.658 -4.385 -9.907 291 2HZ LYS 32 2HZ LYS 32 0.885 -3.161 -11.053 292 3HZ LYS 32 3HZ LYS 32 0.200 -2.796 -9.550 293 HA PRO 33 HA PRO 33 10.271 -4.153 -8.087 294 1HB PRO 33 2HB PRO 33 10.290 -6.640 -9.174 295 2HB PRO 33 3HB PRO 33 10.156 -6.354 -7.436 296 1HG PRO 33 2HG PRO 33 8.006 -6.966 -9.426 297 2HG PRO 33 3HG PRO 33 8.231 -7.610 -7.789 298 1HD PRO 33 2HD PRO 33 6.460 -5.639 -8.349 299 2HD PRO 33 3HD PRO 33 7.311 -5.746 -6.794 300 HA PRO 34 HA PRO 34 10.867 -3.179 -12.332 301 1HB PRO 34 2HB PRO 34 13.237 -4.378 -12.898 302 2HB PRO 34 3HB PRO 34 13.107 -2.942 -11.875 303 1HG PRO 34 2HG PRO 34 13.382 -5.815 -11.080 304 2HG PRO 34 3HG PRO 34 14.191 -4.386 -10.410 305 1HD PRO 34 2HD PRO 34 12.062 -5.551 -9.211 306 2HD PRO 34 3HD PRO 34 12.372 -3.805 -9.120 307 H LYS 35 H LYS 35 9.876 -3.945 -14.081 308 HA LYS 35 HA LYS 35 9.015 -6.575 -14.403 309 1HB LYS 35 2HB LYS 35 8.349 -4.307 -15.601 310 2HB LYS 35 3HB LYS 35 9.478 -4.887 -16.819 311 1HG LYS 35 2HG LYS 35 7.617 -5.838 -17.654 312 2HG LYS 35 3HG LYS 35 8.022 -7.105 -16.493 313 1HD LYS 35 2HD LYS 35 6.251 -4.797 -15.749 314 2HD LYS 35 3HD LYS 35 5.607 -6.243 -16.533 315 1HE LYS 35 2HE LYS 35 5.338 -6.866 -14.361 316 2HE LYS 35 3HE LYS 35 6.988 -7.436 -14.607 317 1HZ LYS 35 1HZ LYS 35 7.385 -4.894 -13.840 318 2HZ LYS 35 2HZ LYS 35 7.416 -6.222 -12.793 319 3HZ LYS 35 3HZ LYS 35 6.011 -5.292 -12.938 320 H PHE 36 H PHE 36 9.609 -8.157 -16.017 321 HA PHE 36 HA PHE 36 12.331 -8.819 -15.968 322 1HB PHE 36 2HB PHE 36 10.220 -9.814 -17.894 323 2HB PHE 36 3HB PHE 36 11.755 -10.601 -17.540 324 HD1 PHE 36 1HD PHE 36 8.334 -10.462 -16.751 325 HD2 PHE 36 2HD PHE 36 12.156 -11.199 -15.029 326 HE1 PHE 36 1HE PHE 36 7.264 -11.709 -14.918 327 HE2 PHE 36 2HE PHE 36 11.093 -12.447 -13.194 328 HZ PHE 36 HZ PHE 36 8.644 -12.705 -13.137 329 H SER 37 H SER 37 10.354 -7.702 -18.717 330 HA SER 37 HA SER 37 12.453 -7.483 -20.554 331 1HB SER 37 2HB SER 37 9.712 -6.295 -20.357 332 2HB SER 37 3HB SER 37 10.820 -5.693 -21.589 333 HG SER 37 HG SER 37 9.668 -7.381 -22.470 334 H LEU 38 H LEU 38 11.184 -5.191 -18.199 335 HA LEU 38 HA LEU 38 12.512 -2.890 -19.036 336 1HB LEU 38 2HB LEU 38 11.462 -3.864 -16.424 337 2HB LEU 38 3HB LEU 38 12.471 -2.419 -16.447 338 HG LEU 38 HG LEU 38 9.883 -2.769 -17.961 339 1HD1 LEU 38 1HD1 LEU 38 10.330 -2.205 -15.237 340 2HD1 LEU 38 2HD1 LEU 38 8.815 -2.115 -16.136 341 3HD1 LEU 38 3HD1 LEU 38 9.849 -0.692 -16.006 342 1HD2 LEU 38 1HD2 LEU 38 11.100 -1.237 -19.206 343 2HD2 LEU 38 2HD2 LEU 38 11.900 -0.564 -17.785 344 3HD2 LEU 38 3HD2 LEU 38 10.200 -0.205 -18.092 345 H GLU 39 H GLU 39 13.684 -5.688 -17.332 346 HA GLU 39 HA GLU 39 16.405 -4.812 -17.693 347 1HB GLU 39 2HB GLU 39 16.026 -3.713 -15.606 348 2HB GLU 39 3HB GLU 39 15.226 -5.127 -14.934 349 1HG GLU 39 2HG GLU 39 17.479 -4.831 -14.041 350 2HG GLU 39 3HG GLU 39 17.311 -6.347 -14.923 351 H ASP 40 H ASP 40 17.271 -6.557 -18.584 352 HA ASP 40 HA ASP 40 17.177 -9.089 -17.188 353 1HB ASP 40 2HB ASP 40 15.181 -8.826 -18.910 354 2HB ASP 40 3HB ASP 40 16.432 -9.246 -20.076 355 H ARG 41 H ARG 41 18.446 -10.781 -18.592 356 HA ARG 41 HA ARG 41 21.063 -9.826 -18.872 357 1HB ARG 41 2HB ARG 41 20.090 -12.262 -18.571 358 2HB ARG 41 3HB ARG 41 20.196 -12.288 -20.326 359 1HG ARG 41 2HG ARG 41 22.579 -11.412 -18.783 360 2HG ARG 41 3HG ARG 41 22.174 -13.129 -18.816 361 1HD ARG 41 2HD ARG 41 22.525 -13.304 -21.089 362 2HD ARG 41 3HD ARG 41 22.240 -11.587 -21.369 363 HE ARG 41 HE ARG 41 24.459 -11.181 -20.961 364 1HH1 ARG 41 2HH1 ARG 41 23.657 -14.396 -19.890 365 2HH1 ARG 41 1HH1 ARG 41 25.302 -14.847 -19.589 366 1HH2 ARG 41 2HH2 ARG 41 26.629 -11.764 -20.569 367 2HH2 ARG 41 1HH2 ARG 41 26.992 -13.349 -19.975 368 H TRP 42 H TRP 42 18.574 -10.509 -21.295 369 HA TRP 42 HA TRP 42 20.326 -9.404 -23.374 370 1HB TRP 42 2HB TRP 42 17.882 -11.155 -23.461 371 2HB TRP 42 3HB TRP 42 18.434 -10.293 -24.895 372 HD1 TRP 42 1HD TRP 42 18.618 -13.591 -23.650 373 HE1 TRP 42 1HE TRP 42 20.757 -14.826 -24.370 374 HE3 TRP 42 3HE TRP 42 21.429 -9.571 -25.093 375 HZ2 TRP 42 2HZ TRP 42 23.301 -14.183 -25.412 376 HZ3 TRP 42 3HZ TRP 42 23.705 -9.968 -25.940 377 HH2 TRP 42 2HH TRP 42 24.620 -12.226 -26.094 378 H GLY 43 H GLY 43 18.689 -7.932 -21.268 379 1HA GLY 43 2HA GLY 43 16.486 -6.645 -22.334 380 2HA GLY 43 3HA GLY 43 17.596 -5.914 -21.183 381 H LYS 44 H LYS 44 19.860 -6.159 -23.078 382 HA LYS 44 HA LYS 44 19.365 -3.685 -24.502 383 1HB LYS 44 2HB LYS 44 21.777 -3.806 -25.054 384 2HB LYS 44 3HB LYS 44 21.468 -3.908 -23.325 385 1HG LYS 44 2HG LYS 44 21.885 -6.249 -23.307 386 2HG LYS 44 3HG LYS 44 21.930 -6.312 -25.071 387 1HD LYS 44 2HD LYS 44 24.173 -6.281 -24.610 388 2HD LYS 44 3HD LYS 44 23.863 -4.549 -24.748 389 1HE LYS 44 2HE LYS 44 25.033 -4.611 -22.777 390 2HE LYS 44 3HE LYS 44 23.382 -4.758 -22.175 391 1HZ LYS 44 1HZ LYS 44 25.340 -6.409 -21.485 392 2HZ LYS 44 2HZ LYS 44 24.733 -7.248 -22.823 393 3HZ LYS 44 3HZ LYS 44 23.713 -6.874 -21.525 394 H TYR 45 H TYR 45 19.655 -7.077 -25.193 395 HA TYR 45 HA TYR 45 20.308 -7.072 -27.881 396 1HB TYR 45 2HB TYR 45 20.075 -9.109 -26.489 397 2HB TYR 45 3HB TYR 45 18.327 -8.904 -26.512 398 HD1 TYR 45 1HD TYR 45 17.121 -9.054 -28.730 399 HD2 TYR 45 2HD TYR 45 21.189 -10.206 -28.251 400 HE1 TYR 45 1HE TYR 45 16.992 -10.355 -30.813 401 HE2 TYR 45 2HE TYR 45 21.072 -11.509 -30.334 402 HH TYR 45 HH TYR 45 19.839 -11.857 -32.221 403 H ARG 46 H ARG 46 17.332 -6.173 -26.323 404 HA ARG 46 HA ARG 46 15.492 -6.407 -28.367 405 1HB ARG 46 2HB ARG 46 14.178 -4.780 -27.235 406 2HB ARG 46 3HB ARG 46 15.063 -5.658 -25.996 407 1HG ARG 46 2HG ARG 46 16.669 -3.837 -25.830 408 2HG ARG 46 3HG ARG 46 15.811 -2.959 -27.099 409 1HD ARG 46 2HD ARG 46 13.951 -2.577 -25.738 410 2HD ARG 46 3HD ARG 46 14.408 -3.847 -24.603 411 HE ARG 46 HE ARG 46 16.441 -2.094 -24.377 412 1HH1 ARG 46 2HH1 ARG 46 12.980 -1.728 -24.259 413 2HH1 ARG 46 1HH1 ARG 46 13.030 -0.380 -23.171 414 1HH2 ARG 46 2HH2 ARG 46 16.519 -0.321 -22.945 415 2HH2 ARG 46 1HH2 ARG 46 15.042 0.420 -22.425 416 H ARG 47 H ARG 47 18.023 -4.029 -27.930 417 HA ARG 47 HA ARG 47 17.198 -2.054 -29.695 418 1HB ARG 47 2HB ARG 47 19.822 -2.986 -28.660 419 2HB ARG 47 3HB ARG 47 19.848 -1.946 -30.076 420 1HG ARG 47 2HG ARG 47 18.235 -0.469 -28.623 421 2HG ARG 47 3HG ARG 47 18.996 -1.344 -27.293 422 1HD ARG 47 2HD ARG 47 20.525 0.110 -29.445 423 2HD ARG 47 3HD ARG 47 20.094 0.827 -27.893 424 HE ARG 47 HE ARG 47 22.213 -1.015 -28.403 425 1HH1 ARG 47 2HH1 ARG 47 19.913 0.023 -26.004 426 2HH1 ARG 47 1HH1 ARG 47 20.882 -0.492 -24.663 427 1HH2 ARG 47 2HH2 ARG 47 23.498 -1.698 -26.646 428 2HH2 ARG 47 1HH2 ARG 47 22.921 -1.470 -25.030 429 H MET 48 H MET 48 18.667 -5.172 -30.328 430 HA MET 48 HA MET 48 19.176 -4.651 -33.102 431 1HB MET 48 2HB MET 48 20.258 -6.412 -31.474 432 2HB MET 48 3HB MET 48 18.918 -7.421 -32.000 433 1HG MET 48 2HG MET 48 20.412 -8.038 -33.567 434 2HG MET 48 3HG MET 48 19.775 -6.612 -34.385 435 1HE MET 48 1HE MET 48 20.710 -4.654 -34.791 436 2HE MET 48 2HE MET 48 21.527 -3.913 -33.415 437 3HE MET 48 3HE MET 48 22.439 -4.316 -34.871 438 H LEU 49 H LEU 49 16.548 -5.991 -31.228 439 HA LEU 49 HA LEU 49 15.141 -7.245 -33.322 440 1HB LEU 49 2HB LEU 49 14.607 -6.422 -30.562 441 2HB LEU 49 3HB LEU 49 13.182 -6.433 -31.600 442 HG LEU 49 HG LEU 49 14.369 -8.867 -32.131 443 1HD1 LEU 49 1HD1 LEU 49 14.545 -8.336 -29.168 444 2HD1 LEU 49 2HD1 LEU 49 15.918 -8.534 -30.258 445 3HD1 LEU 49 3HD1 LEU 49 14.815 -9.882 -29.974 446 1HD2 LEU 49 1HD2 LEU 49 12.518 -9.649 -30.463 447 2HD2 LEU 49 2HD2 LEU 49 12.074 -8.837 -31.964 448 3HD2 LEU 49 3HD2 LEU 49 12.087 -7.939 -30.445 449 H LYS 50 H LYS 50 14.017 -4.312 -31.660 450 HA LYS 50 HA LYS 50 12.461 -3.462 -33.871 451 1HB LYS 50 2HB LYS 50 13.403 -1.763 -31.560 452 2HB LYS 50 3HB LYS 50 11.998 -1.485 -32.580 453 1HG LYS 50 2HG LYS 50 10.839 -3.323 -31.644 454 2HG LYS 50 3HG LYS 50 12.292 -3.912 -30.833 455 1HD LYS 50 2HD LYS 50 11.162 -2.872 -29.104 456 2HD LYS 50 3HD LYS 50 12.251 -1.595 -29.650 457 1HE LYS 50 2HE LYS 50 10.551 -0.402 -30.668 458 2HE LYS 50 3HE LYS 50 9.512 -1.818 -30.826 459 1HZ LYS 50 1HZ LYS 50 8.487 -0.816 -29.095 460 2HZ LYS 50 2HZ LYS 50 9.884 -0.032 -28.551 461 3HZ LYS 50 3HZ LYS 50 9.643 -1.670 -28.202 462 H ARG 51 H ARG 51 13.426 -2.942 -35.738 463 HA ARG 51 HA ARG 51 15.915 -1.420 -35.717 464 1HB ARG 51 2HB ARG 51 15.375 -3.476 -37.223 465 2HB ARG 51 3HB ARG 51 14.489 -2.314 -38.201 466 1HG ARG 51 2HG ARG 51 16.572 -0.968 -38.378 467 2HG ARG 51 3HG ARG 51 17.425 -2.267 -37.542 468 1HD ARG 51 2HD ARG 51 16.322 -3.741 -39.429 469 2HD ARG 51 3HD ARG 51 16.270 -2.201 -40.286 470 HE ARG 51 HE ARG 51 18.839 -2.830 -39.151 471 1HH1 ARG 51 2HH1 ARG 51 16.750 -3.182 -41.913 472 2HH1 ARG 51 1HH1 ARG 51 18.049 -3.459 -43.025 473 1HH2 ARG 51 2HH2 ARG 51 20.559 -3.194 -40.605 474 2HH2 ARG 51 1HH2 ARG 51 20.215 -3.467 -42.280 475 H ALA 52 H ALA 52 12.532 -1.018 -36.322 476 HA ALA 52 HA ALA 52 12.651 1.312 -37.924 477 1HB ALA 52 1HB ALA 52 10.420 0.568 -36.043 478 2HB ALA 52 2HB ALA 52 10.322 1.543 -37.509 479 3HB ALA 52 3HB ALA 52 10.656 -0.185 -37.620 480 H LEU 53 H LEU 53 12.873 0.760 -34.490 481 HA LEU 53 HA LEU 53 13.179 3.661 -34.091 482 1HB LEU 53 2HB LEU 53 11.151 2.194 -33.050 483 2HB LEU 53 3HB LEU 53 12.350 2.061 -31.766 484 HG LEU 53 HG LEU 53 12.442 4.531 -31.649 485 1HD1 LEU 53 1HD1 LEU 53 10.228 4.340 -33.682 486 2HD1 LEU 53 2HD1 LEU 53 11.791 5.136 -33.868 487 3HD1 LEU 53 3HD1 LEU 53 10.597 5.791 -32.748 488 1HD2 LEU 53 1HD2 LEU 53 10.510 2.807 -30.655 489 2HD2 LEU 53 2HD2 LEU 53 9.591 4.177 -31.279 490 3HD2 LEU 53 3HD2 LEU 53 10.862 4.438 -30.083 491 H LYS 54 H LYS 54 15.087 4.256 -33.307 492 HA LYS 54 HA LYS 54 16.652 2.316 -31.747 493 1HB LYS 54 2HB LYS 54 17.546 3.941 -34.116 494 2HB LYS 54 3HB LYS 54 18.696 3.363 -32.918 495 1HG LYS 54 2HG LYS 54 17.457 1.062 -33.424 496 2HG LYS 54 3HG LYS 54 17.174 1.870 -34.968 497 1HD LYS 54 2HD LYS 54 19.697 2.403 -34.896 498 2HD LYS 54 3HD LYS 54 19.776 1.136 -33.669 499 1HE LYS 54 2HE LYS 54 18.986 -0.504 -35.184 500 2HE LYS 54 3HE LYS 54 18.517 0.714 -36.369 501 1HZ LYS 54 1HZ LYS 54 21.031 1.279 -36.316 502 2HZ LYS 54 2HZ LYS 54 20.491 -0.043 -37.221 503 3HZ LYS 54 3HZ LYS 54 21.198 -0.290 -35.704 504 H ASN 55 H ASN 55 17.612 3.117 -29.963 505 HA ASN 55 HA ASN 55 16.920 5.735 -29.077 506 1HB ASN 55 2HB ASN 55 18.944 3.858 -27.844 507 2HB ASN 55 3HB ASN 55 18.086 5.172 -27.045 508 1HD2 ASN 55 1HD2 ASN 55 17.875 1.942 -28.284 509 2HD2 ASN 55 2HD2 ASN 55 16.362 1.541 -27.553 510 H LYS 56 H LYS 56 18.408 7.405 -28.420 511 HA LYS 56 HA LYS 56 20.606 7.687 -30.321 512 1HB LYS 56 2HB LYS 56 18.686 9.447 -29.510 513 2HB LYS 56 3HB LYS 56 20.031 9.911 -28.476 514 1HG LYS 56 2HG LYS 56 20.110 11.260 -30.432 515 2HG LYS 56 3HG LYS 56 21.444 10.106 -30.520 516 1HD LYS 56 2HD LYS 56 20.538 10.060 -32.667 517 2HD LYS 56 3HD LYS 56 19.816 8.652 -31.886 518 1HE LYS 56 2HE LYS 56 17.759 9.798 -31.542 519 2HE LYS 56 3HE LYS 56 18.470 11.343 -32.008 520 1HZ LYS 56 1HZ LYS 56 17.986 10.939 -34.116 521 2HZ LYS 56 2HZ LYS 56 17.158 9.542 -33.643 522 3HZ LYS 56 3HZ LYS 56 18.788 9.449 -34.086 523 H ASN 57 H ASN 57 22.726 8.036 -29.739 524 HA ASN 57 HA ASN 57 23.489 7.027 -27.142 525 1HB ASN 57 2HB ASN 57 25.068 7.888 -29.568 526 2HB ASN 57 3HB ASN 57 25.833 7.374 -28.067 527 1HD2 ASN 57 1HD2 ASN 57 26.274 5.301 -27.862 528 2HD2 ASN 57 2HD2 ASN 57 25.584 4.021 -28.794 529 H LYS 58 H LYS 58 25.087 8.140 -25.793 530 HA LYS 58 HA LYS 58 24.251 10.746 -25.119 531 1HB LYS 58 2HB LYS 58 25.234 9.156 -23.504 532 2HB LYS 58 3HB LYS 58 26.788 9.309 -24.313 533 1HG LYS 58 2HG LYS 58 26.979 10.715 -22.479 534 2HG LYS 58 3HG LYS 58 26.583 11.815 -23.802 535 1HD LYS 58 2HD LYS 58 25.253 12.421 -21.906 536 2HD LYS 58 3HD LYS 58 24.190 11.677 -23.103 537 1HE LYS 58 2HE LYS 58 23.998 9.700 -21.871 538 2HE LYS 58 3HE LYS 58 25.425 10.058 -20.901 539 1HZ LYS 58 1HZ LYS 58 22.712 10.746 -20.421 540 2HZ LYS 58 2HZ LYS 58 23.681 12.132 -20.434 541 3HZ LYS 58 3HZ LYS 58 24.043 10.857 -19.382 542 H ALA 59 H ALA 59 26.995 9.531 -26.968 543 HA ALA 59 HA ALA 59 28.381 11.982 -27.197 544 1HB ALA 59 1HB ALA 59 29.470 9.862 -27.639 545 2HB ALA 59 2HB ALA 59 28.407 9.579 -29.019 546 3HB ALA 59 3HB ALA 59 29.570 10.905 -29.058 547 H GLU 60 H GLU 60 28.193 13.657 -28.581 548 HA GLU 60 HA GLU 60 25.784 14.178 -29.883 549 1HB GLU 60 2HB GLU 60 26.795 16.150 -30.716 550 2HB GLU 60 3HB GLU 60 27.547 15.848 -29.157 551 1HG GLU 60 2HG GLU 60 28.744 15.134 -31.823 552 2HG GLU 60 3HG GLU 60 29.155 16.557 -30.867 Start of MODEL 11 1 1H GLY -2 H GLY -3 19.350 -1.767 -7.706 2 1HA GLY -2 2HA GLY -3 21.716 -3.263 -8.589 3 2HA GLY -2 3HA GLY -3 21.931 -1.980 -7.406 4 H SER -1 H SER -2 22.137 -2.744 -5.421 5 HA SER -1 HA SER -2 20.443 -5.013 -4.611 6 1HB SER -1 2HB SER -2 22.674 -5.888 -4.876 7 2HB SER -1 3HB SER -2 23.361 -4.550 -3.957 8 HG SER -1 HG SER -2 22.245 -6.872 -3.075 9 H HIS 0 H HIS -1 19.978 -5.123 -2.322 10 HA HIS 0 HA HIS -1 20.167 -2.505 -0.983 11 1HB HIS 0 2HB HIS -1 17.857 -4.453 -0.842 12 2HB HIS 0 3HB HIS -1 17.957 -2.905 -0.008 13 HD1 HIS 0 1HD HIS -1 17.105 -0.909 -1.243 14 HD2 HIS 0 2HD HIS -1 17.706 -4.174 -3.741 15 HE1 HIS 0 1HE HIS -1 16.166 -0.230 -3.475 16 H MET 1 H MET 1 21.180 -2.542 0.908 17 HA MET 1 HA MET 1 22.022 -5.029 2.069 18 1HB MET 1 2HB MET 1 22.527 -2.141 2.581 19 2HB MET 1 3HB MET 1 22.802 -3.259 3.909 20 1HG MET 1 2HG MET 1 24.331 -4.549 2.489 21 2HG MET 1 3HG MET 1 24.076 -3.389 1.187 22 1HE MET 1 1HE MET 1 25.751 -2.360 0.567 23 2HE MET 1 2HE MET 1 25.813 -0.766 1.321 24 3HE MET 1 3HE MET 1 27.194 -1.858 1.450 25 H VAL 2 H VAL 2 19.569 -2.625 2.730 26 HA VAL 2 HA VAL 2 18.562 -4.336 4.903 27 HB VAL 2 HB VAL 2 17.700 -2.210 5.983 28 1HG1 VAL 2 1HG1 VAL 2 19.698 -3.574 6.718 29 2HG1 VAL 2 2HG1 VAL 2 20.704 -2.381 5.894 30 3HG1 VAL 2 3HG1 VAL 2 19.677 -1.891 7.243 31 1HG2 VAL 2 1HG2 VAL 2 18.148 -0.843 3.889 32 2HG2 VAL 2 2HG2 VAL 2 18.634 -0.120 5.422 33 3HG2 VAL 2 3HG2 VAL 2 19.846 -0.853 4.370 34 H GLU 3 H GLU 3 16.384 -4.671 4.953 35 HA GLU 3 HA GLU 3 14.820 -3.420 2.791 36 1HB GLU 3 2HB GLU 3 14.818 -6.208 3.895 37 2HB GLU 3 3HB GLU 3 13.374 -5.564 3.127 38 1HG GLU 3 2HG GLU 3 16.034 -5.504 1.753 39 2HG GLU 3 3HG GLU 3 14.996 -6.929 1.702 40 H MET 4 H MET 4 12.795 -2.630 3.236 41 HA MET 4 HA MET 4 11.625 -3.006 5.862 42 1HB MET 4 2HB MET 4 13.311 -1.032 5.896 43 2HB MET 4 3HB MET 4 12.084 -0.175 4.972 44 1HG MET 4 2HG MET 4 11.670 0.440 7.172 45 2HG MET 4 3HG MET 4 10.479 -0.818 6.848 46 1HE MET 4 1HE MET 4 11.057 -0.794 10.372 47 2HE MET 4 2HE MET 4 12.727 -0.236 10.287 48 3HE MET 4 3HE MET 4 11.484 0.547 9.309 49 H ARG 5 H ARG 5 9.568 -3.441 5.452 50 HA ARG 5 HA ARG 5 8.268 -3.021 3.028 51 1HB ARG 5 2HB ARG 5 6.183 -3.522 4.262 52 2HB ARG 5 3HB ARG 5 7.474 -4.659 4.626 53 1HG ARG 5 2HG ARG 5 6.784 -4.291 6.739 54 2HG ARG 5 3HG ARG 5 7.877 -2.911 6.606 55 1HD ARG 5 2HD ARG 5 6.162 -1.575 7.061 56 2HD ARG 5 3HD ARG 5 5.429 -2.063 5.534 57 HE ARG 5 HE ARG 5 4.921 -3.919 7.654 58 1HH1 ARG 5 2HH1 ARG 5 3.896 -0.925 6.203 59 2HH1 ARG 5 1HH1 ARG 5 2.270 -1.047 6.790 60 1HH2 ARG 5 2HH2 ARG 5 2.784 -4.090 8.431 61 2HH2 ARG 5 1HH2 ARG 5 1.639 -2.847 8.057 62 H MET 6 H MET 6 7.233 -1.348 2.130 63 HA MET 6 HA MET 6 5.899 0.688 3.545 64 1HB MET 6 2HB MET 6 7.345 2.550 3.336 65 2HB MET 6 3HB MET 6 8.320 1.264 4.034 66 1HG MET 6 2HG MET 6 8.792 0.872 1.405 67 2HG MET 6 3HG MET 6 8.546 2.617 1.440 68 1HE MET 6 1HE MET 6 9.766 4.114 3.393 69 2HE MET 6 2HE MET 6 9.612 2.894 4.656 70 3HE MET 6 3HE MET 6 11.196 3.568 4.269 71 H LYS 7 H LYS 7 5.685 2.723 1.934 72 HA LYS 7 HA LYS 7 5.202 1.601 -0.749 73 1HB LYS 7 2HB LYS 7 3.315 3.388 -0.781 74 2HB LYS 7 3HB LYS 7 3.045 1.871 0.067 75 1HG LYS 7 2HG LYS 7 4.168 4.107 1.645 76 2HG LYS 7 3HG LYS 7 2.485 4.244 1.131 77 1HD LYS 7 2HD LYS 7 3.637 1.868 2.590 78 2HD LYS 7 3HD LYS 7 2.772 3.194 3.369 79 1HE LYS 7 2HE LYS 7 0.895 2.649 1.676 80 2HE LYS 7 3HE LYS 7 1.737 1.112 1.480 81 1HZ LYS 7 1HZ LYS 7 0.978 2.120 4.152 82 2HZ LYS 7 2HZ LYS 7 1.350 0.537 3.689 83 3HZ LYS 7 3HZ LYS 7 -0.111 1.238 3.204 84 H LYS 8 H LYS 8 4.861 3.443 -2.396 85 HA LYS 8 HA LYS 8 6.606 5.730 -1.845 86 1HB LYS 8 2HB LYS 8 7.998 3.986 -2.909 87 2HB LYS 8 3HB LYS 8 6.887 3.947 -4.272 88 1HG LYS 8 2HG LYS 8 7.409 6.363 -4.655 89 2HG LYS 8 3HG LYS 8 8.666 6.219 -3.425 90 1HD LYS 8 2HD LYS 8 9.796 5.892 -5.451 91 2HD LYS 8 3HD LYS 8 9.549 4.261 -4.822 92 1HE LYS 8 2HE LYS 8 7.314 4.485 -6.253 93 2HE LYS 8 3HE LYS 8 8.321 5.611 -7.161 94 1HZ LYS 8 1HZ LYS 8 9.912 3.903 -7.560 95 2HZ LYS 8 2HZ LYS 8 8.394 3.292 -7.987 96 3HZ LYS 8 3HZ LYS 8 9.114 2.823 -6.530 97 H CYS 9 H CYS 9 6.187 7.565 -3.092 98 HA CYS 9 HA CYS 9 3.499 7.816 -4.005 99 1HB CYS 9 2HB CYS 9 4.756 9.657 -2.907 100 2HB CYS 9 3HB CYS 9 5.795 9.760 -4.323 101 HA PRO 10 HA PRO 10 4.357 6.385 -8.146 102 1HB PRO 10 2HB PRO 10 1.807 6.635 -9.040 103 2HB PRO 10 3HB PRO 10 2.341 5.290 -8.025 104 1HG PRO 10 2HG PRO 10 0.884 7.786 -7.247 105 2HG PRO 10 3HG PRO 10 0.603 6.117 -6.720 106 1HD PRO 10 2HD PRO 10 1.946 7.917 -5.207 107 2HD PRO 10 3HD PRO 10 2.320 6.182 -5.183 108 H LYS 11 H LYS 11 3.520 9.459 -7.071 109 HA LYS 11 HA LYS 11 3.370 10.600 -9.762 110 1HB LYS 11 2HB LYS 11 2.401 11.371 -7.132 111 2HB LYS 11 3HB LYS 11 3.255 12.689 -7.923 112 1HG LYS 11 2HG LYS 11 0.858 12.752 -8.376 113 2HG LYS 11 3HG LYS 11 1.796 12.512 -9.852 114 1HD LYS 11 2HD LYS 11 1.214 10.231 -9.973 115 2HD LYS 11 3HD LYS 11 0.619 10.213 -8.312 116 1HE LYS 11 2HE LYS 11 -0.985 12.099 -9.346 117 2HE LYS 11 3HE LYS 11 -0.691 11.140 -10.795 118 1HZ LYS 11 1HZ LYS 11 -2.522 10.605 -8.830 119 2HZ LYS 11 2HZ LYS 11 -1.279 9.495 -8.544 120 3HZ LYS 11 3HZ LYS 11 -2.031 9.549 -10.057 121 H CYS 12 H CYS 12 5.307 10.788 -6.803 122 HA CYS 12 HA CYS 12 7.364 12.261 -8.307 123 1HB CYS 12 2HB CYS 12 7.248 11.955 -5.309 124 2HB CYS 12 3HB CYS 12 8.169 13.125 -6.245 125 H GLY 13 H GLY 13 7.123 9.792 -5.735 126 1HA GLY 13 2HA GLY 13 8.177 7.604 -6.266 127 2HA GLY 13 3HA GLY 13 9.529 8.530 -6.900 128 H LEU 14 H LEU 14 7.917 9.595 -4.021 129 HA LEU 14 HA LEU 14 10.361 9.120 -2.508 130 1HB LEU 14 2HB LEU 14 9.676 11.275 -2.123 131 2HB LEU 14 3HB LEU 14 7.965 10.856 -2.190 132 HG LEU 14 HG LEU 14 8.165 9.827 0.049 133 1HD1 LEU 14 1HD1 LEU 14 10.098 9.847 1.305 134 2HD1 LEU 14 2HD1 LEU 14 10.833 11.134 0.351 135 3HD1 LEU 14 3HD1 LEU 14 10.720 9.503 -0.309 136 1HD2 LEU 14 1HD2 LEU 14 9.180 12.656 0.100 137 2HD2 LEU 14 2HD2 LEU 14 8.112 11.856 1.252 138 3HD2 LEU 14 3HD2 LEU 14 7.531 12.242 -0.368 139 H TYR 15 H TYR 15 10.570 7.649 -0.931 140 HA TYR 15 HA TYR 15 8.414 5.765 -0.517 141 1HB TYR 15 2HB TYR 15 11.299 5.868 0.333 142 2HB TYR 15 3HB TYR 15 10.194 4.665 0.991 143 HD1 TYR 15 1HD TYR 15 11.788 5.886 -2.111 144 HD2 TYR 15 2HD TYR 15 9.544 2.766 -0.285 145 HE1 TYR 15 1HE TYR 15 12.186 4.459 -4.074 146 HE2 TYR 15 2HE TYR 15 9.936 1.331 -2.242 147 HH TYR 15 HH TYR 15 11.262 1.085 -4.111 148 H THR 16 H THR 16 7.461 5.264 1.466 149 HA THR 16 HA THR 16 8.091 6.498 3.919 150 HB THR 16 HB THR 16 7.247 8.524 2.761 151 HG1 THR 16 1HG THR 16 6.418 9.126 4.622 152 1HG2 THR 16 1HG2 THR 16 5.374 6.855 1.662 153 2HG2 THR 16 2HG2 THR 16 5.291 8.617 1.660 154 3HG2 THR 16 3HG2 THR 16 4.442 7.695 2.901 155 H LEU 17 H LEU 17 6.090 6.349 5.464 156 HA LEU 17 HA LEU 17 4.595 3.897 4.804 157 1HB LEU 17 2HB LEU 17 5.793 4.693 7.451 158 2HB LEU 17 3HB LEU 17 4.722 3.315 7.208 159 HG LEU 17 HG LEU 17 7.085 3.303 5.478 160 1HD1 LEU 17 1HD1 LEU 17 8.163 2.332 7.828 161 2HD1 LEU 17 2HD1 LEU 17 7.393 3.844 8.308 162 3HD1 LEU 17 3HD1 LEU 17 8.597 3.838 7.020 163 1HD2 LEU 17 1HD2 LEU 17 7.134 0.970 6.700 164 2HD2 LEU 17 2HD2 LEU 17 5.957 1.316 5.432 165 3HD2 LEU 17 3HD2 LEU 17 5.483 1.418 7.129 166 H LYS 18 H LYS 18 4.258 7.075 5.212 167 HA LYS 18 HA LYS 18 1.980 7.114 6.989 168 1HB LYS 18 2HB LYS 18 3.200 9.243 5.225 169 2HB LYS 18 3HB LYS 18 1.843 9.518 6.310 170 1HG LYS 18 2HG LYS 18 3.692 8.383 7.972 171 2HG LYS 18 3HG LYS 18 4.696 9.340 6.880 172 1HD LYS 18 2HD LYS 18 4.100 10.717 8.747 173 2HD LYS 18 3HD LYS 18 3.205 11.289 7.337 174 1HE LYS 18 2HE LYS 18 1.196 10.307 8.095 175 2HE LYS 18 3HE LYS 18 2.035 9.344 9.309 176 1HZ LYS 18 1HZ LYS 18 2.169 11.082 10.730 177 2HZ LYS 18 2HZ LYS 18 0.783 11.581 9.899 178 3HZ LYS 18 3HZ LYS 18 2.289 12.244 9.506 179 H GLU 19 H GLU 19 2.396 6.090 3.900 180 HA GLU 19 HA GLU 19 0.985 5.601 2.185 181 1HB GLU 19 2HB GLU 19 -1.197 6.339 4.142 182 2HB GLU 19 3HB GLU 19 -1.401 5.416 2.660 183 1HG GLU 19 2HG GLU 19 0.544 4.018 4.021 184 2HG GLU 19 3HG GLU 19 -0.553 4.549 5.293 185 H ILE 20 H ILE 20 1.700 8.522 3.087 186 HA ILE 20 HA ILE 20 0.219 9.765 0.902 187 HB ILE 20 HB ILE 20 0.307 10.933 3.685 188 1HG1 ILE 20 2HG1 ILE 20 -1.398 9.150 3.287 189 2HG1 ILE 20 3HG1 ILE 20 -2.098 10.721 3.660 190 1HG2 ILE 20 1HG2 ILE 20 -1.379 12.450 2.054 191 2HG2 ILE 20 2HG2 ILE 20 0.188 12.924 2.709 192 3HG2 ILE 20 3HG2 ILE 20 0.087 12.191 1.108 193 1HD1 ILE 20 1HD1 ILE 20 -3.242 10.713 1.770 194 2HD1 ILE 20 2HD1 ILE 20 -1.779 10.428 0.826 195 3HD1 ILE 20 3HD1 ILE 20 -2.678 9.065 1.494 196 H CYS 21 H CYS 21 1.441 11.127 -0.269 197 HA CYS 21 HA CYS 21 4.229 11.351 0.326 198 1HB CYS 21 2HB CYS 21 3.425 11.130 -1.983 199 2HB CYS 21 3HB CYS 21 2.582 12.669 -1.844 200 HA PRO 22 HA PRO 22 3.696 15.026 2.818 201 1HB PRO 22 2HB PRO 22 6.315 15.247 3.499 202 2HB PRO 22 3HB PRO 22 5.217 14.094 4.266 203 1HG PRO 22 2HG PRO 22 7.215 13.643 2.082 204 2HG PRO 22 3HG PRO 22 6.864 12.641 3.501 205 1HD PRO 22 2HD PRO 22 5.900 12.066 1.037 206 2HD PRO 22 3HD PRO 22 5.007 11.685 2.524 207 H LYS 23 H LYS 23 5.296 14.608 -0.124 208 HA LYS 23 HA LYS 23 6.411 17.278 -0.269 209 1HB LYS 23 2HB LYS 23 6.892 14.852 -1.587 210 2HB LYS 23 3HB LYS 23 6.218 15.917 -2.815 211 1HG LYS 23 2HG LYS 23 8.630 16.059 -2.803 212 2HG LYS 23 3HG LYS 23 7.925 17.593 -2.288 213 1HD LYS 23 2HD LYS 23 8.399 17.098 0.017 214 2HD LYS 23 3HD LYS 23 8.935 15.468 -0.399 215 1HE LYS 23 2HE LYS 23 10.248 18.024 -1.317 216 2HE LYS 23 3HE LYS 23 10.813 17.012 0.011 217 1HZ LYS 23 1HZ LYS 23 11.890 15.751 -1.431 218 2HZ LYS 23 2HZ LYS 23 11.399 16.758 -2.698 219 3HZ LYS 23 3HZ LYS 23 10.462 15.415 -2.273 220 H CYS 24 H CYS 24 4.018 15.484 -2.219 221 HA CYS 24 HA CYS 24 2.777 18.055 -2.913 222 1HB CYS 24 2HB CYS 24 1.666 16.756 -4.739 223 2HB CYS 24 3HB CYS 24 3.421 16.784 -4.853 224 H GLY 25 H GLY 25 2.070 14.825 -1.665 225 1HA GLY 25 2HA GLY 25 0.423 14.876 0.223 226 2HA GLY 25 3HA GLY 25 -0.595 15.819 -0.857 227 H GLU 26 H GLU 26 0.284 14.119 -3.166 228 HA GLU 26 HA GLU 26 -1.859 12.405 -3.331 229 1HB GLU 26 2HB GLU 26 -0.384 13.071 -5.224 230 2HB GLU 26 3HB GLU 26 0.839 11.963 -4.618 231 1HG GLU 26 2HG GLU 26 -0.678 11.186 -6.529 232 2HG GLU 26 3HG GLU 26 -0.392 10.085 -5.182 233 H LYS 27 H LYS 27 -2.313 10.346 -2.742 234 HA LYS 27 HA LYS 27 -1.001 9.203 -0.548 235 1HB LYS 27 2HB LYS 27 -2.734 7.693 -2.504 236 2HB LYS 27 3HB LYS 27 -2.486 7.348 -0.798 237 1HG LYS 27 2HG LYS 27 -3.468 9.884 -0.703 238 2HG LYS 27 3HG LYS 27 -4.324 9.215 -2.095 239 1HD LYS 27 2HD LYS 27 -4.148 7.711 0.496 240 2HD LYS 27 3HD LYS 27 -5.382 8.947 0.237 241 1HE LYS 27 2HE LYS 27 -4.932 6.520 -1.499 242 2HE LYS 27 3HE LYS 27 -6.204 6.692 -0.290 243 1HZ LYS 27 1HZ LYS 27 -7.400 7.431 -2.012 244 2HZ LYS 27 2HZ LYS 27 -6.042 7.775 -2.961 245 3HZ LYS 27 3HZ LYS 27 -6.562 8.886 -1.795 246 H THR 28 H THR 28 0.383 7.456 -0.335 247 HA THR 28 HA THR 28 2.067 6.945 -2.657 248 HB THR 28 HB THR 28 3.352 5.576 -0.795 249 HG1 THR 28 1HG THR 28 2.992 6.486 1.264 250 1HG2 THR 28 1HG2 THR 28 3.809 8.312 -0.094 251 2HG2 THR 28 2HG2 THR 28 3.499 8.201 -1.827 252 3HG2 THR 28 3HG2 THR 28 4.792 7.247 -1.100 253 H VAL 29 H VAL 29 2.546 4.886 -3.447 254 HA VAL 29 HA VAL 29 0.754 2.725 -2.550 255 HB VAL 29 HB VAL 29 0.417 1.991 -4.806 256 1HG1 VAL 29 1HG1 VAL 29 -1.209 3.470 -5.203 257 2HG1 VAL 29 2HG1 VAL 29 -0.601 4.336 -3.790 258 3HG1 VAL 29 3HG1 VAL 29 -0.068 4.799 -5.407 259 1HG2 VAL 29 1HG2 VAL 29 2.283 4.220 -5.612 260 2HG2 VAL 29 2HG2 VAL 29 2.598 2.489 -5.732 261 3HG2 VAL 29 3HG2 VAL 29 1.347 3.228 -6.730 262 H ILE 30 H ILE 30 1.564 0.623 -2.655 263 HA ILE 30 HA ILE 30 4.300 0.308 -2.136 264 HB ILE 30 HB ILE 30 2.326 -1.809 -2.999 265 1HG1 ILE 30 2HG1 ILE 30 1.620 -0.546 -0.991 266 2HG1 ILE 30 3HG1 ILE 30 2.004 -2.223 -0.619 267 1HG2 ILE 30 1HG2 ILE 30 4.091 -3.064 -1.383 268 2HG2 ILE 30 2HG2 ILE 30 4.210 -3.030 -3.141 269 3HG2 ILE 30 3HG2 ILE 30 5.145 -1.891 -2.173 270 1HD1 ILE 30 1HD1 ILE 30 3.891 0.078 -0.191 271 2HD1 ILE 30 2HD1 ILE 30 2.835 -0.599 1.050 272 3HD1 ILE 30 3HD1 ILE 30 4.104 -1.593 0.333 273 HA PRO 31 HA PRO 31 5.682 0.490 -6.399 274 1HB PRO 31 2HB PRO 31 8.328 0.438 -5.791 275 2HB PRO 31 3HB PRO 31 7.341 1.898 -5.660 276 1HG PRO 31 2HG PRO 31 8.190 -0.013 -3.518 277 2HG PRO 31 3HG PRO 31 8.150 1.760 -3.485 278 1HD PRO 31 2HD PRO 31 6.222 0.238 -2.344 279 2HD PRO 31 3HD PRO 31 5.886 1.828 -3.061 280 H LYS 32 H LYS 32 7.188 -1.678 -4.003 281 HA LYS 32 HA LYS 32 7.084 -3.829 -6.005 282 1HB LYS 32 2HB LYS 32 9.268 -4.584 -5.473 283 2HB LYS 32 3HB LYS 32 9.404 -2.850 -5.730 284 1HG LYS 32 2HG LYS 32 9.033 -2.809 -3.107 285 2HG LYS 32 3HG LYS 32 9.707 -4.435 -3.243 286 1HD LYS 32 2HD LYS 32 11.693 -3.594 -4.282 287 2HD LYS 32 3HD LYS 32 11.001 -1.976 -4.415 288 1HE LYS 32 2HE LYS 32 12.398 -1.808 -2.564 289 2HE LYS 32 3HE LYS 32 10.812 -2.085 -1.848 290 1HZ LYS 32 1HZ LYS 32 12.797 -3.435 -0.994 291 2HZ LYS 32 2HZ LYS 32 12.622 -4.344 -2.409 292 3HZ LYS 32 3HZ LYS 32 11.348 -4.254 -1.299 293 HA PRO 33 HA PRO 33 5.228 -6.272 -2.862 294 1HB PRO 33 2HB PRO 33 6.109 -8.749 -3.540 295 2HB PRO 33 3HB PRO 33 4.891 -7.873 -4.476 296 1HG PRO 33 2HG PRO 33 7.825 -8.162 -4.989 297 2HG PRO 33 3HG PRO 33 6.476 -8.258 -6.134 298 1HD PRO 33 2HD PRO 33 8.006 -6.040 -5.868 299 2HD PRO 33 3HD PRO 33 6.284 -5.966 -6.293 300 HA PRO 34 HA PRO 34 7.969 -7.102 0.474 301 1HB PRO 34 2HB PRO 34 6.855 -9.288 1.637 302 2HB PRO 34 3HB PRO 34 6.131 -7.677 1.728 303 1HG PRO 34 2HG PRO 34 5.449 -9.963 -0.082 304 2HG PRO 34 3HG PRO 34 4.364 -8.864 0.791 305 1HD PRO 34 2HD PRO 34 4.922 -8.571 -1.841 306 2HD PRO 34 3HD PRO 34 4.592 -7.190 -0.776 307 H LYS 35 H LYS 35 9.012 -9.166 1.652 308 HA LYS 35 HA LYS 35 10.675 -10.390 -0.367 309 1HB LYS 35 2HB LYS 35 10.807 -11.011 2.569 310 2HB LYS 35 3HB LYS 35 12.105 -11.024 1.382 311 1HG LYS 35 2HG LYS 35 10.735 -8.612 2.548 312 2HG LYS 35 3HG LYS 35 12.396 -9.141 2.828 313 1HD LYS 35 2HD LYS 35 11.255 -8.241 0.181 314 2HD LYS 35 3HD LYS 35 12.292 -7.278 1.237 315 1HE LYS 35 2HE LYS 35 14.028 -9.067 1.016 316 2HE LYS 35 3HE LYS 35 13.002 -9.832 -0.196 317 1HZ LYS 35 1HZ LYS 35 13.274 -7.147 -0.891 318 2HZ LYS 35 2HZ LYS 35 13.884 -8.498 -1.705 319 3HZ LYS 35 3HZ LYS 35 14.824 -7.722 -0.532 320 H PHE 36 H PHE 36 8.408 -11.495 2.130 321 HA PHE 36 HA PHE 36 8.288 -14.093 0.744 322 1HB PHE 36 2HB PHE 36 7.454 -14.904 3.067 323 2HB PHE 36 3HB PHE 36 9.177 -14.636 2.830 324 HD1 PHE 36 1HD PHE 36 10.270 -12.660 3.795 325 HD2 PHE 36 2HD PHE 36 6.181 -13.560 4.565 326 HE1 PHE 36 1HE PHE 36 10.294 -11.115 5.709 327 HE2 PHE 36 2HE PHE 36 6.199 -12.014 6.479 328 HZ PHE 36 HZ PHE 36 8.256 -10.789 7.053 329 H SER 37 H SER 37 6.513 -13.997 -0.492 330 HA SER 37 HA SER 37 4.102 -12.698 0.503 331 1HB SER 37 2HB SER 37 4.465 -12.119 -1.734 332 2HB SER 37 3HB SER 37 4.975 -13.749 -2.173 333 HG SER 37 HG SER 37 2.806 -13.105 -2.861 334 H LEU 38 H LEU 38 5.203 -15.896 -0.538 335 HA LEU 38 HA LEU 38 2.773 -17.255 -0.319 336 1HB LEU 38 2HB LEU 38 4.974 -18.062 -1.304 337 2HB LEU 38 3HB LEU 38 5.450 -18.450 0.348 338 HG LEU 38 HG LEU 38 3.271 -19.867 0.369 339 1HD1 LEU 38 1HD1 LEU 38 3.208 -18.861 -2.273 340 2HD1 LEU 38 2HD1 LEU 38 2.108 -20.009 -1.509 341 3HD1 LEU 38 3HD1 LEU 38 3.533 -20.593 -2.368 342 1HD2 LEU 38 1HD2 LEU 38 5.663 -20.655 0.416 343 2HD2 LEU 38 2HD2 LEU 38 5.560 -20.825 -1.337 344 3HD2 LEU 38 3HD2 LEU 38 4.505 -21.781 -0.294 345 H GLU 39 H GLU 39 4.873 -16.021 2.106 346 HA GLU 39 HA GLU 39 3.604 -17.648 4.186 347 1HB GLU 39 2HB GLU 39 6.084 -15.961 4.093 348 2HB GLU 39 3HB GLU 39 5.347 -16.367 5.637 349 1HG GLU 39 2HG GLU 39 5.724 -18.664 5.337 350 2HG GLU 39 3HG GLU 39 6.069 -18.465 3.620 351 H ASP 40 H ASP 40 3.706 -14.447 2.885 352 HA ASP 40 HA ASP 40 2.859 -12.883 4.996 353 1HB ASP 40 2HB ASP 40 2.551 -12.750 2.044 354 2HB ASP 40 3HB ASP 40 1.501 -11.711 3.002 355 H ARG 41 H ARG 41 1.330 -13.553 6.385 356 HA ARG 41 HA ARG 41 -0.934 -15.082 5.716 357 1HB ARG 41 2HB ARG 41 -1.767 -14.432 7.970 358 2HB ARG 41 3HB ARG 41 -0.122 -15.055 7.982 359 1HG ARG 41 2HG ARG 41 0.740 -12.767 8.098 360 2HG ARG 41 3HG ARG 41 -0.914 -12.153 8.106 361 1HD ARG 41 2HD ARG 41 -1.313 -13.509 10.173 362 2HD ARG 41 3HD ARG 41 0.413 -13.873 10.194 363 HE ARG 41 HE ARG 41 0.341 -11.167 10.094 364 1HH1 ARG 41 2HH1 ARG 41 -1.141 -13.539 12.166 365 2HH1 ARG 41 1HH1 ARG 41 -1.167 -12.502 13.554 366 1HH2 ARG 41 2HH2 ARG 41 0.312 -9.791 11.914 367 2HH2 ARG 41 1HH2 ARG 41 -0.340 -10.370 13.409 368 H TRP 42 H TRP 42 -0.312 -11.681 5.586 369 HA TRP 42 HA TRP 42 -3.145 -11.044 5.283 370 1HB TRP 42 2HB TRP 42 -0.664 -9.470 5.774 371 2HB TRP 42 3HB TRP 42 -1.987 -8.667 4.935 372 HD1 TRP 42 1HD TRP 42 -2.745 -11.205 7.685 373 HE1 TRP 42 1HE TRP 42 -3.790 -9.968 9.687 374 HE3 TRP 42 3HE TRP 42 -2.056 -6.390 6.111 375 HZ2 TRP 42 2HZ TRP 42 -4.260 -7.303 10.491 376 HZ3 TRP 42 3HZ TRP 42 -2.833 -4.555 7.555 377 HH2 TRP 42 2HH TRP 42 -3.911 -5.004 9.699 378 H GLY 43 H GLY 43 -1.397 -12.556 3.297 379 1HA GLY 43 2HA GLY 43 -0.844 -11.046 1.036 380 2HA GLY 43 3HA GLY 43 -1.304 -12.742 1.011 381 H LYS 44 H LYS 44 -3.926 -12.202 2.221 382 HA LYS 44 HA LYS 44 -5.327 -11.594 -0.223 383 1HB LYS 44 2HB LYS 44 -7.362 -12.085 1.145 384 2HB LYS 44 3HB LYS 44 -6.184 -13.391 1.115 385 1HG LYS 44 2HG LYS 44 -5.445 -12.883 3.317 386 2HG LYS 44 3HG LYS 44 -6.374 -11.382 3.346 387 1HD LYS 44 2HD LYS 44 -7.666 -12.880 4.593 388 2HD LYS 44 3HD LYS 44 -8.430 -12.874 3.003 389 1HE LYS 44 2HE LYS 44 -8.297 -15.140 3.655 390 2HE LYS 44 3HE LYS 44 -7.023 -14.901 2.461 391 1HZ LYS 44 1HZ LYS 44 -6.818 -15.492 5.297 392 2HZ LYS 44 2HZ LYS 44 -5.692 -14.384 4.697 393 3HZ LYS 44 3HZ LYS 44 -5.797 -15.932 4.023 394 H TYR 45 H TYR 45 -4.577 -9.974 2.761 395 HA TYR 45 HA TYR 45 -6.532 -7.992 2.794 396 1HB TYR 45 2HB TYR 45 -4.934 -8.398 4.636 397 2HB TYR 45 3HB TYR 45 -3.639 -7.736 3.645 398 HD1 TYR 45 1HD TYR 45 -3.412 -5.361 3.321 399 HD2 TYR 45 2HD TYR 45 -6.683 -6.933 5.542 400 HE1 TYR 45 1HE TYR 45 -3.920 -3.106 4.159 401 HE2 TYR 45 2HE TYR 45 -7.201 -4.681 6.386 402 HH TYR 45 HH TYR 45 -5.324 -2.306 6.555 403 H ARG 46 H ARG 46 -3.807 -8.411 0.715 404 HA ARG 46 HA ARG 46 -3.253 -5.844 -0.133 405 1HB ARG 46 2HB ARG 46 -3.140 -8.525 -1.441 406 2HB ARG 46 3HB ARG 46 -2.914 -7.097 -2.442 407 1HG ARG 46 2HG ARG 46 -1.322 -7.547 0.061 408 2HG ARG 46 3HG ARG 46 -0.833 -8.212 -1.499 409 1HD ARG 46 2HD ARG 46 -1.202 -5.732 -2.297 410 2HD ARG 46 3HD ARG 46 -0.950 -5.378 -0.589 411 HE ARG 46 HE ARG 46 1.143 -6.972 -1.190 412 1HH1 ARG 46 2HH1 ARG 46 -0.156 -4.098 -2.664 413 2HH1 ARG 46 1HH1 ARG 46 1.376 -3.554 -3.260 414 1HH2 ARG 46 2HH2 ARG 46 3.167 -6.265 -1.969 415 2HH2 ARG 46 1HH2 ARG 46 3.266 -4.787 -2.864 416 H ARG 47 H ARG 47 -5.357 -8.066 -1.966 417 HA ARG 47 HA ARG 47 -6.491 -6.166 -3.628 418 1HB ARG 47 2HB ARG 47 -8.437 -7.818 -3.770 419 2HB ARG 47 3HB ARG 47 -6.841 -8.420 -4.201 420 1HG ARG 47 2HG ARG 47 -6.624 -9.541 -2.098 421 2HG ARG 47 3HG ARG 47 -8.108 -8.799 -1.498 422 1HD ARG 47 2HD ARG 47 -8.454 -11.128 -2.198 423 2HD ARG 47 3HD ARG 47 -9.410 -9.997 -3.155 424 HE ARG 47 HE ARG 47 -8.266 -10.676 -5.009 425 1HH1 ARG 47 2HH1 ARG 47 -6.439 -11.560 -2.180 426 2HH1 ARG 47 1HH1 ARG 47 -5.248 -12.450 -3.068 427 1HH2 ARG 47 2HH2 ARG 47 -6.704 -11.846 -6.189 428 2HH2 ARG 47 1HH2 ARG 47 -5.398 -12.612 -5.349 429 H MET 48 H MET 48 -7.546 -7.244 -0.427 430 HA MET 48 HA MET 48 -9.985 -5.903 -0.303 431 1HB MET 48 2HB MET 48 -8.036 -6.917 1.706 432 2HB MET 48 3HB MET 48 -9.280 -5.808 2.266 433 1HG MET 48 2HG MET 48 -9.858 -8.327 0.733 434 2HG MET 48 3HG MET 48 -9.834 -8.228 2.492 435 1HE MET 48 1HE MET 48 -12.792 -6.784 -0.532 436 2HE MET 48 2HE MET 48 -11.351 -7.789 -0.682 437 3HE MET 48 3HE MET 48 -12.842 -8.476 -0.036 438 H LEU 49 H LEU 49 -6.759 -4.692 -0.150 439 HA LEU 49 HA LEU 49 -7.320 -2.249 1.196 440 1HB LEU 49 2HB LEU 49 -5.059 -3.465 0.730 441 2HB LEU 49 3HB LEU 49 -5.091 -2.542 -0.772 442 HG LEU 49 HG LEU 49 -5.368 -1.161 1.874 443 1HD1 LEU 49 1HD1 LEU 49 -2.771 -1.870 0.516 444 2HD1 LEU 49 2HD1 LEU 49 -3.364 -2.562 2.026 445 3HD1 LEU 49 3HD1 LEU 49 -2.961 -0.848 1.940 446 1HD2 LEU 49 1HD2 LEU 49 -5.205 -0.403 -0.885 447 2HD2 LEU 49 2HD2 LEU 49 -3.841 0.278 0.005 448 3HD2 LEU 49 3HD2 LEU 49 -5.493 0.603 0.534 449 H LYS 50 H LYS 50 -7.737 -3.357 -2.039 450 HA LYS 50 HA LYS 50 -7.819 -0.762 -3.263 451 1HB LYS 50 2HB LYS 50 -9.035 -3.279 -4.386 452 2HB LYS 50 3HB LYS 50 -8.413 -1.886 -5.263 453 1HG LYS 50 2HG LYS 50 -6.152 -2.456 -4.652 454 2HG LYS 50 3HG LYS 50 -6.727 -3.787 -3.647 455 1HD LYS 50 2HD LYS 50 -7.227 -5.111 -5.446 456 2HD LYS 50 3HD LYS 50 -7.541 -3.737 -6.507 457 1HE LYS 50 2HE LYS 50 -5.224 -3.327 -6.806 458 2HE LYS 50 3HE LYS 50 -4.792 -4.432 -5.503 459 1HZ LYS 50 1HZ LYS 50 -6.116 -5.278 -8.020 460 2HZ LYS 50 2HZ LYS 50 -5.489 -6.281 -6.812 461 3HZ LYS 50 3HZ LYS 50 -4.446 -5.347 -7.762 462 H ARG 51 H ARG 51 -9.679 0.279 -4.121 463 HA ARG 51 HA ARG 51 -12.129 -0.316 -2.605 464 1HB ARG 51 2HB ARG 51 -10.951 2.242 -3.644 465 2HB ARG 51 3HB ARG 51 -12.672 2.127 -3.306 466 1HG ARG 51 2HG ARG 51 -11.934 2.931 -1.312 467 2HG ARG 51 3HG ARG 51 -11.811 1.199 -0.997 468 1HD ARG 51 2HD ARG 51 -9.768 2.048 -0.259 469 2HD ARG 51 3HD ARG 51 -9.407 1.414 -1.864 470 HE ARG 51 HE ARG 51 -8.921 3.539 -2.549 471 1HH1 ARG 51 2HH1 ARG 51 -10.749 3.696 0.410 472 2HH1 ARG 51 1HH1 ARG 51 -10.552 5.407 0.593 473 1HH2 ARG 51 2HH2 ARG 51 -8.656 5.793 -2.318 474 2HH2 ARG 51 1HH2 ARG 51 -9.362 6.600 -0.959 475 H ALA 52 H ALA 52 -11.419 -1.678 -5.040 476 HA ALA 52 HA ALA 52 -13.871 -1.366 -6.455 477 1HB ALA 52 1HB ALA 52 -12.155 0.480 -7.284 478 2HB ALA 52 2HB ALA 52 -11.584 -0.863 -8.276 479 3HB ALA 52 3HB ALA 52 -13.263 -0.334 -8.390 480 H LEU 53 H LEU 53 -14.029 -3.573 -5.987 481 HA LEU 53 HA LEU 53 -12.527 -5.279 -7.822 482 1HB LEU 53 2HB LEU 53 -11.998 -5.166 -5.062 483 2HB LEU 53 3HB LEU 53 -12.884 -6.665 -5.336 484 HG LEU 53 HG LEU 53 -10.503 -7.078 -5.396 485 1HD1 LEU 53 1HD1 LEU 53 -11.571 -7.187 -8.209 486 2HD1 LEU 53 2HD1 LEU 53 -12.044 -8.308 -6.933 487 3HD1 LEU 53 3HD1 LEU 53 -10.366 -8.242 -7.471 488 1HD2 LEU 53 1HD2 LEU 53 -9.988 -4.693 -6.157 489 2HD2 LEU 53 2HD2 LEU 53 -10.278 -5.284 -7.793 490 3HD2 LEU 53 3HD2 LEU 53 -8.991 -5.992 -6.814 491 H LYS 54 H LYS 54 -13.678 -6.985 -8.616 492 HA LYS 54 HA LYS 54 -16.511 -7.075 -7.869 493 1HB LYS 54 2HB LYS 54 -15.126 -8.232 -10.295 494 2HB LYS 54 3HB LYS 54 -16.862 -8.197 -10.014 495 1HG LYS 54 2HG LYS 54 -15.430 -5.606 -9.951 496 2HG LYS 54 3HG LYS 54 -15.613 -6.399 -11.518 497 1HD LYS 54 2HD LYS 54 -17.950 -6.041 -9.669 498 2HD LYS 54 3HD LYS 54 -17.441 -4.753 -10.763 499 1HE LYS 54 2HE LYS 54 -17.615 -6.415 -12.637 500 2HE LYS 54 3HE LYS 54 -18.354 -7.531 -11.489 501 1HZ LYS 54 1HZ LYS 54 -19.578 -5.472 -12.937 502 2HZ LYS 54 2HZ LYS 54 -19.678 -5.076 -11.296 503 3HZ LYS 54 3HZ LYS 54 -20.291 -6.553 -11.848 504 H ASN 55 H ASN 55 -14.313 -8.366 -6.347 505 HA ASN 55 HA ASN 55 -13.829 -10.338 -5.316 506 1HB ASN 55 2HB ASN 55 -16.310 -9.976 -4.797 507 2HB ASN 55 3HB ASN 55 -16.631 -11.190 -6.032 508 1HD2 ASN 55 1HD2 ASN 55 -14.185 -10.898 -3.479 509 2HD2 ASN 55 2HD2 ASN 55 -14.522 -12.426 -2.746 510 H LYS 56 H LYS 56 -13.233 -10.172 -8.136 511 HA LYS 56 HA LYS 56 -13.942 -12.496 -9.542 512 1HB LYS 56 2HB LYS 56 -12.014 -10.324 -9.832 513 2HB LYS 56 3HB LYS 56 -11.408 -11.854 -10.454 514 1HG LYS 56 2HG LYS 56 -13.346 -12.062 -11.898 515 2HG LYS 56 3HG LYS 56 -14.016 -10.568 -11.240 516 1HD LYS 56 2HD LYS 56 -11.383 -10.786 -12.699 517 2HD LYS 56 3HD LYS 56 -12.899 -10.253 -13.428 518 1HE LYS 56 2HE LYS 56 -12.975 -8.463 -11.644 519 2HE LYS 56 3HE LYS 56 -11.319 -8.914 -11.244 520 1HZ LYS 56 1HZ LYS 56 -10.606 -7.648 -12.892 521 2HZ LYS 56 2HZ LYS 56 -12.194 -7.198 -13.264 522 3HZ LYS 56 3HZ LYS 56 -11.499 -8.544 -14.016 523 H ASN 57 H ASN 57 -13.252 -14.545 -9.460 524 HA ASN 57 HA ASN 57 -10.788 -15.155 -7.986 525 1HB ASN 57 2HB ASN 57 -13.529 -16.300 -7.505 526 2HB ASN 57 3HB ASN 57 -12.079 -17.213 -7.096 527 1HD2 ASN 57 1HD2 ASN 57 -10.419 -15.781 -5.871 528 2HD2 ASN 57 2HD2 ASN 57 -11.075 -14.890 -4.544 529 H LYS 58 H LYS 58 -9.654 -16.941 -8.703 530 HA LYS 58 HA LYS 58 -8.843 -18.379 -10.273 531 1HB LYS 58 2HB LYS 58 -11.730 -19.149 -10.699 532 2HB LYS 58 3HB LYS 58 -10.307 -20.148 -10.960 533 1HG LYS 58 2HG LYS 58 -11.185 -19.114 -8.273 534 2HG LYS 58 3HG LYS 58 -11.573 -20.715 -8.909 535 1HD LYS 58 2HD LYS 58 -9.232 -21.294 -9.001 536 2HD LYS 58 3HD LYS 58 -8.773 -19.658 -8.522 537 1HE LYS 58 2HE LYS 58 -10.381 -21.579 -6.841 538 2HE LYS 58 3HE LYS 58 -8.655 -21.270 -6.658 539 1HZ LYS 58 1HZ LYS 58 -9.691 -18.790 -6.564 540 2HZ LYS 58 2HZ LYS 58 -9.325 -19.729 -5.205 541 3HZ LYS 58 3HZ LYS 58 -10.908 -19.686 -5.802 542 H ALA 59 H ALA 59 -9.162 -15.816 -11.240 543 HA ALA 59 HA ALA 59 -10.330 -16.120 -13.912 544 1HB ALA 59 1HB ALA 59 -10.668 -13.879 -13.963 545 2HB ALA 59 2HB ALA 59 -10.632 -14.084 -12.211 546 3HB ALA 59 3HB ALA 59 -9.192 -13.524 -13.063 547 H GLU 60 H GLU 60 -9.141 -15.912 -15.773 548 HA GLU 60 HA GLU 60 -6.277 -16.311 -15.485 549 1HB GLU 60 2HB GLU 60 -8.136 -16.465 -17.858 550 2HB GLU 60 3HB GLU 60 -6.396 -16.680 -17.983 551 1HG GLU 60 2HG GLU 60 -8.134 -18.354 -16.194 552 2HG GLU 60 3HG GLU 60 -7.758 -18.784 -17.862 Start of MODEL 12 1 1H GLY -2 H GLY -3 22.003 13.621 6.029 2 1HA GLY -2 2HA GLY -3 19.180 13.827 5.231 3 2HA GLY -2 3HA GLY -3 20.441 13.001 4.326 4 H SER -1 H SER -2 19.106 11.145 4.183 5 HA SER -1 HA SER -2 19.362 9.405 6.496 6 1HB SER -1 2HB SER -2 16.947 8.690 6.284 7 2HB SER -1 3HB SER -2 17.188 10.308 6.944 8 HG SER -1 HG SER -2 15.692 9.685 4.923 9 H HIS 0 H HIS -1 19.198 7.179 5.990 10 HA HIS 0 HA HIS -1 19.763 6.613 3.182 11 1HB HIS 0 2HB HIS -1 20.234 5.141 5.755 12 2HB HIS 0 3HB HIS -1 20.285 4.280 4.221 13 HD1 HIS 0 1HD HIS -1 22.117 5.189 2.470 14 HD2 HIS 0 2HD HIS -1 22.526 6.474 6.399 15 HE1 HIS 0 1HE HIS -1 24.470 6.057 2.652 16 H MET 1 H MET 1 18.991 4.236 2.582 17 HA MET 1 HA MET 1 16.092 4.356 2.684 18 1HB MET 1 2HB MET 1 18.081 2.792 1.069 19 2HB MET 1 3HB MET 1 16.389 2.312 1.106 20 1HG MET 1 2HG MET 1 15.693 4.161 -0.045 21 2HG MET 1 3HG MET 1 17.058 5.141 0.487 22 1HE MET 1 1HE MET 1 15.510 2.814 -1.917 23 2HE MET 1 2HE MET 1 16.702 2.503 -3.179 24 3HE MET 1 3HE MET 1 16.769 1.605 -1.662 25 H VAL 2 H VAL 2 14.846 3.128 3.939 26 HA VAL 2 HA VAL 2 16.070 1.254 5.761 27 HB VAL 2 HB VAL 2 13.755 0.994 6.660 28 1HG1 VAL 2 1HG1 VAL 2 13.829 2.970 7.856 29 2HG1 VAL 2 2HG1 VAL 2 15.484 2.846 7.256 30 3HG1 VAL 2 3HG1 VAL 2 14.334 3.920 6.458 31 1HG2 VAL 2 1HG2 VAL 2 12.620 1.469 4.487 32 2HG2 VAL 2 2HG2 VAL 2 11.966 2.366 5.858 33 3HG2 VAL 2 3HG2 VAL 2 13.031 3.171 4.704 34 H GLU 3 H GLU 3 15.334 -0.935 6.057 35 HA GLU 3 HA GLU 3 14.857 -2.254 3.509 36 1HB GLU 3 2HB GLU 3 15.851 -3.092 6.187 37 2HB GLU 3 3HB GLU 3 15.086 -4.314 5.181 38 1HG GLU 3 2HG GLU 3 16.683 -3.632 3.352 39 2HG GLU 3 3HG GLU 3 17.536 -2.690 4.573 40 H MET 4 H MET 4 13.225 -1.608 6.521 41 HA MET 4 HA MET 4 11.214 -3.510 6.492 42 1HB MET 4 2HB MET 4 11.335 -0.684 7.489 43 2HB MET 4 3HB MET 4 9.832 -1.590 7.583 44 1HG MET 4 2HG MET 4 10.714 -2.032 9.636 45 2HG MET 4 3HG MET 4 11.345 -3.396 8.715 46 1HE MET 4 1HE MET 4 12.261 -2.289 11.479 47 2HE MET 4 2HE MET 4 13.835 -1.494 11.504 48 3HE MET 4 3HE MET 4 12.379 -0.559 11.166 49 H ARG 5 H ARG 5 9.318 -3.778 5.428 50 HA ARG 5 HA ARG 5 8.954 -2.804 2.874 51 1HB ARG 5 2HB ARG 5 6.906 -3.904 2.857 52 2HB ARG 5 3HB ARG 5 7.787 -4.759 4.115 53 1HG ARG 5 2HG ARG 5 5.766 -2.575 4.571 54 2HG ARG 5 3HG ARG 5 5.477 -4.305 4.762 55 1HD ARG 5 2HD ARG 5 7.451 -2.642 6.324 56 2HD ARG 5 3HD ARG 5 5.904 -3.248 6.915 57 HE ARG 5 HE ARG 5 8.353 -4.683 6.780 58 1HH1 ARG 5 2HH1 ARG 5 4.903 -5.043 6.473 59 2HH1 ARG 5 1HH1 ARG 5 4.907 -6.715 6.926 60 1HH2 ARG 5 2HH2 ARG 5 8.370 -6.884 7.379 61 2HH2 ARG 5 1HH2 ARG 5 6.879 -7.761 7.443 62 H MET 6 H MET 6 7.383 -1.346 1.973 63 HA MET 6 HA MET 6 5.881 0.475 3.508 64 1HB MET 6 2HB MET 6 7.160 2.464 3.423 65 2HB MET 6 3HB MET 6 8.248 1.226 4.037 66 1HG MET 6 2HG MET 6 8.735 1.050 1.386 67 2HG MET 6 3HG MET 6 8.343 2.761 1.539 68 1HE MET 6 1HE MET 6 9.706 2.667 4.946 69 2HE MET 6 2HE MET 6 10.848 3.864 4.333 70 3HE MET 6 3HE MET 6 9.156 3.926 3.838 71 H LYS 7 H LYS 7 5.703 2.663 1.954 72 HA LYS 7 HA LYS 7 5.153 1.606 -0.742 73 1HB LYS 7 2HB LYS 7 3.266 3.374 -0.716 74 2HB LYS 7 3HB LYS 7 3.016 1.867 0.154 75 1HG LYS 7 2HG LYS 7 4.185 4.109 1.684 76 2HG LYS 7 3HG LYS 7 2.492 4.256 1.206 77 1HD LYS 7 2HD LYS 7 3.655 1.880 2.656 78 2HD LYS 7 3HD LYS 7 2.824 3.222 3.447 79 1HE LYS 7 2HE LYS 7 0.902 2.685 1.802 80 2HE LYS 7 3HE LYS 7 1.720 1.136 1.602 81 1HZ LYS 7 1HZ LYS 7 1.384 0.591 3.828 82 2HZ LYS 7 2HZ LYS 7 -0.083 1.291 3.363 83 3HZ LYS 7 3HZ LYS 7 1.027 2.182 4.278 84 H LYS 8 H LYS 8 4.878 3.420 -2.377 85 HA LYS 8 HA LYS 8 6.592 5.724 -1.785 86 1HB LYS 8 2HB LYS 8 8.007 4.001 -2.847 87 2HB LYS 8 3HB LYS 8 6.906 3.952 -4.217 88 1HG LYS 8 2HG LYS 8 7.410 6.349 -4.633 89 2HG LYS 8 3HG LYS 8 8.623 6.268 -3.352 90 1HD LYS 8 2HD LYS 8 9.937 5.854 -5.182 91 2HD LYS 8 3HD LYS 8 9.474 4.205 -4.755 92 1HE LYS 8 2HE LYS 8 7.426 4.894 -6.380 93 2HE LYS 8 3HE LYS 8 8.730 5.848 -7.086 94 1HZ LYS 8 1HZ LYS 8 9.938 3.496 -6.773 95 2HZ LYS 8 2HZ LYS 8 9.129 3.946 -8.187 96 3HZ LYS 8 3HZ LYS 8 8.353 2.971 -7.043 97 H CYS 9 H CYS 9 6.198 7.560 -3.057 98 HA CYS 9 HA CYS 9 3.509 7.817 -3.973 99 1HB CYS 9 2HB CYS 9 4.768 9.658 -2.878 100 2HB CYS 9 3HB CYS 9 5.814 9.751 -4.290 101 HA PRO 10 HA PRO 10 4.385 6.366 -8.105 102 1HB PRO 10 2HB PRO 10 1.832 6.594 -9.003 103 2HB PRO 10 3HB PRO 10 2.376 5.257 -7.983 104 1HG PRO 10 2HG PRO 10 0.900 7.746 -7.216 105 2HG PRO 10 3HG PRO 10 0.631 6.076 -6.682 106 1HD PRO 10 2HD PRO 10 1.960 7.893 -5.176 107 2HD PRO 10 3HD PRO 10 2.346 6.160 -5.143 108 H LYS 11 H LYS 11 3.529 9.438 -7.043 109 HA LYS 11 HA LYS 11 3.358 10.569 -9.736 110 1HB LYS 11 2HB LYS 11 2.391 11.334 -7.112 111 2HB LYS 11 3HB LYS 11 3.271 12.654 -7.872 112 1HG LYS 11 2HG LYS 11 0.875 12.748 -8.345 113 2HG LYS 11 3HG LYS 11 1.830 12.538 -9.815 114 1HD LYS 11 2HD LYS 11 1.149 10.343 -10.096 115 2HD LYS 11 3HD LYS 11 0.741 10.144 -8.392 116 1HE LYS 11 2HE LYS 11 -1.359 10.314 -9.266 117 2HE LYS 11 3HE LYS 11 -1.031 12.020 -8.967 118 1HZ LYS 11 1HZ LYS 11 -0.118 11.945 -11.374 119 2HZ LYS 11 2HZ LYS 11 -1.787 12.045 -11.120 120 3HZ LYS 11 3HZ LYS 11 -1.081 10.560 -11.519 121 H CYS 12 H CYS 12 5.310 10.816 -6.784 122 HA CYS 12 HA CYS 12 7.357 12.261 -8.324 123 1HB CYS 12 2HB CYS 12 7.281 11.993 -5.323 124 2HB CYS 12 3HB CYS 12 8.166 13.167 -6.289 125 H GLY 13 H GLY 13 7.128 9.814 -5.732 126 1HA GLY 13 2HA GLY 13 8.186 7.625 -6.239 127 2HA GLY 13 3HA GLY 13 9.533 8.546 -6.893 128 H LEU 14 H LEU 14 7.900 9.577 -3.997 129 HA LEU 14 HA LEU 14 10.372 9.175 -2.503 130 1HB LEU 14 2HB LEU 14 9.626 11.312 -2.116 131 2HB LEU 14 3HB LEU 14 7.929 10.843 -2.163 132 HG LEU 14 HG LEU 14 8.180 9.824 0.073 133 1HD1 LEU 14 1HD1 LEU 14 10.125 9.877 1.302 134 2HD1 LEU 14 2HD1 LEU 14 10.813 11.199 0.360 135 3HD1 LEU 14 3HD1 LEU 14 10.744 9.574 -0.322 136 1HD2 LEU 14 1HD2 LEU 14 9.136 12.671 0.141 137 2HD2 LEU 14 2HD2 LEU 14 8.063 11.843 1.269 138 3HD2 LEU 14 3HD2 LEU 14 7.500 12.237 -0.356 139 H TYR 15 H TYR 15 10.630 7.720 -0.916 140 HA TYR 15 HA TYR 15 8.541 5.763 -0.502 141 1HB TYR 15 2HB TYR 15 11.431 5.978 0.266 142 2HB TYR 15 3HB TYR 15 10.398 4.807 1.079 143 HD1 TYR 15 1HD TYR 15 9.394 2.947 -0.188 144 HD2 TYR 15 2HD TYR 15 12.125 5.655 -2.008 145 HE1 TYR 15 1HE TYR 15 9.718 1.364 -2.044 146 HE2 TYR 15 2HE TYR 15 12.456 4.081 -3.868 147 HH TYR 15 HH TYR 15 11.879 1.039 -3.828 148 H THR 16 H THR 16 7.545 5.273 1.443 149 HA THR 16 HA THR 16 8.123 6.490 3.916 150 HB THR 16 HB THR 16 7.293 8.522 2.755 151 HG1 THR 16 1HG THR 16 6.238 9.146 4.538 152 1HG2 THR 16 1HG2 THR 16 5.228 8.697 1.787 153 2HG2 THR 16 2HG2 THR 16 4.513 7.470 2.833 154 3HG2 THR 16 3HG2 THR 16 5.537 6.988 1.482 155 H LEU 17 H LEU 17 6.062 6.344 5.406 156 HA LEU 17 HA LEU 17 4.579 3.901 4.694 157 1HB LEU 17 2HB LEU 17 5.984 4.606 7.246 158 2HB LEU 17 3HB LEU 17 4.652 3.453 7.226 159 HG LEU 17 HG LEU 17 6.927 2.992 5.366 160 1HD1 LEU 17 1HD1 LEU 17 7.760 1.594 7.510 161 2HD1 LEU 17 2HD1 LEU 17 7.133 3.038 8.302 162 3HD1 LEU 17 3HD1 LEU 17 8.385 3.184 7.070 163 1HD2 LEU 17 1HD2 LEU 17 6.391 0.620 6.234 164 2HD2 LEU 17 2HD2 LEU 17 5.246 1.406 5.146 165 3HD2 LEU 17 3HD2 LEU 17 4.925 1.358 6.881 166 H LYS 18 H LYS 18 4.272 7.073 5.190 167 HA LYS 18 HA LYS 18 2.000 7.102 6.966 168 1HB LYS 18 2HB LYS 18 3.351 9.196 5.275 169 2HB LYS 18 3HB LYS 18 1.857 9.526 6.142 170 1HG LYS 18 2HG LYS 18 4.044 8.335 7.723 171 2HG LYS 18 3HG LYS 18 4.292 9.988 7.154 172 1HD LYS 18 2HD LYS 18 2.620 10.831 8.451 173 2HD LYS 18 3HD LYS 18 1.664 9.348 8.371 174 1HE LYS 18 2HE LYS 18 3.189 8.266 9.931 175 2HE LYS 18 3HE LYS 18 4.187 9.718 9.984 176 1HZ LYS 18 1HZ LYS 18 2.923 10.084 11.806 177 2HZ LYS 18 2HZ LYS 18 1.605 9.192 11.234 178 3HZ LYS 18 3HZ LYS 18 1.872 10.763 10.667 179 H GLU 19 H GLU 19 2.384 6.098 3.867 180 HA GLU 19 HA GLU 19 0.953 5.622 2.164 181 1HB GLU 19 2HB GLU 19 -1.204 6.364 4.146 182 2HB GLU 19 3HB GLU 19 -1.431 5.454 2.660 183 1HG GLU 19 2HG GLU 19 0.521 4.036 3.999 184 2HG GLU 19 3HG GLU 19 -0.575 4.559 5.278 185 H ILE 20 H ILE 20 1.689 8.537 3.081 186 HA ILE 20 HA ILE 20 0.206 9.797 0.905 187 HB ILE 20 HB ILE 20 0.302 10.946 3.697 188 1HG1 ILE 20 2HG1 ILE 20 -1.411 9.176 3.286 189 2HG1 ILE 20 3HG1 ILE 20 -2.104 10.748 3.671 190 1HG2 ILE 20 1HG2 ILE 20 0.199 12.944 2.730 191 2HG2 ILE 20 2HG2 ILE 20 0.084 12.222 1.126 192 3HG2 ILE 20 3HG2 ILE 20 -1.376 12.486 2.082 193 1HD1 ILE 20 1HD1 ILE 20 -1.782 10.457 0.832 194 2HD1 ILE 20 2HD1 ILE 20 -2.708 9.114 1.502 195 3HD1 ILE 20 3HD1 ILE 20 -3.238 10.774 1.774 196 H CYS 21 H CYS 21 1.433 11.155 -0.262 197 HA CYS 21 HA CYS 21 4.222 11.372 0.333 198 1HB CYS 21 2HB CYS 21 3.408 11.154 -1.976 199 2HB CYS 21 3HB CYS 21 2.584 12.701 -1.835 200 HA PRO 22 HA PRO 22 3.696 15.049 2.827 201 1HB PRO 22 2HB PRO 22 6.317 15.266 3.502 202 2HB PRO 22 3HB PRO 22 5.220 14.113 4.270 203 1HG PRO 22 2HG PRO 22 7.214 13.662 2.082 204 2HG PRO 22 3HG PRO 22 6.864 12.659 3.502 205 1HD PRO 22 2HD PRO 22 5.895 12.086 1.039 206 2HD PRO 22 3HD PRO 22 5.005 11.706 2.528 207 H LYS 23 H LYS 23 5.285 14.631 -0.121 208 HA LYS 23 HA LYS 23 6.396 17.304 -0.264 209 1HB LYS 23 2HB LYS 23 6.875 14.872 -1.588 210 2HB LYS 23 3HB LYS 23 6.232 15.958 -2.812 211 1HG LYS 23 2HG LYS 23 8.005 17.417 -2.643 212 2HG LYS 23 3HG LYS 23 8.412 16.900 -1.006 213 1HD LYS 23 2HD LYS 23 8.751 14.597 -2.452 214 2HD LYS 23 3HD LYS 23 9.285 15.837 -3.588 215 1HE LYS 23 2HE LYS 23 10.245 15.750 -0.741 216 2HE LYS 23 3HE LYS 23 11.040 14.841 -2.026 217 1HZ LYS 23 1HZ LYS 23 12.226 16.759 -2.109 218 2HZ LYS 23 2HZ LYS 23 10.948 17.727 -1.574 219 3HZ LYS 23 3HZ LYS 23 10.987 17.188 -3.177 220 H CYS 24 H CYS 24 4.013 15.490 -2.209 221 HA CYS 24 HA CYS 24 2.760 18.052 -2.915 222 1HB CYS 24 2HB CYS 24 1.673 16.753 -4.750 223 2HB CYS 24 3HB CYS 24 3.429 16.782 -4.850 224 H GLY 25 H GLY 25 2.070 14.817 -1.675 225 1HA GLY 25 2HA GLY 25 0.416 14.847 0.205 226 2HA GLY 25 3HA GLY 25 -0.602 15.791 -0.871 227 H GLU 26 H GLU 26 0.268 14.124 -3.196 228 HA GLU 26 HA GLU 26 -1.859 12.399 -3.376 229 1HB GLU 26 2HB GLU 26 -0.334 13.099 -5.242 230 2HB GLU 26 3HB GLU 26 0.833 11.921 -4.658 231 1HG GLU 26 2HG GLU 26 -0.673 11.246 -6.597 232 2HG GLU 26 3HG GLU 26 -0.502 10.114 -5.256 233 H LYS 27 H LYS 27 -2.346 10.398 -2.691 234 HA LYS 27 HA LYS 27 -1.015 9.228 -0.543 235 1HB LYS 27 2HB LYS 27 -2.402 7.185 -1.114 236 2HB LYS 27 3HB LYS 27 -3.298 8.678 -0.868 237 1HG LYS 27 2HG LYS 27 -2.555 8.330 -3.640 238 2HG LYS 27 3HG LYS 27 -3.486 6.960 -3.032 239 1HD LYS 27 2HD LYS 27 -4.377 9.770 -2.500 240 2HD LYS 27 3HD LYS 27 -4.742 8.987 -4.039 241 1HE LYS 27 2HE LYS 27 -6.033 7.320 -3.006 242 2HE LYS 27 3HE LYS 27 -5.379 7.683 -1.410 243 1HZ LYS 27 1HZ LYS 27 -6.480 9.970 -1.804 244 2HZ LYS 27 2HZ LYS 27 -7.443 8.662 -1.335 245 3HZ LYS 27 3HZ LYS 27 -7.410 9.149 -2.954 246 H THR 28 H THR 28 0.357 7.468 -0.337 247 HA THR 28 HA THR 28 2.025 6.948 -2.671 248 HB THR 28 HB THR 28 3.319 5.579 -0.817 249 HG1 THR 28 1HG THR 28 2.931 6.331 1.239 250 1HG2 THR 28 1HG2 THR 28 4.765 7.248 -1.115 251 2HG2 THR 28 2HG2 THR 28 3.775 8.325 -0.130 252 3HG2 THR 28 3HG2 THR 28 3.476 8.191 -1.863 253 H VAL 29 H VAL 29 2.545 4.855 -3.400 254 HA VAL 29 HA VAL 29 0.733 2.715 -2.501 255 HB VAL 29 HB VAL 29 0.356 1.975 -4.740 256 1HG1 VAL 29 1HG1 VAL 29 -1.208 3.511 -5.235 257 2HG1 VAL 29 2HG1 VAL 29 -0.665 4.289 -3.747 258 3HG1 VAL 29 3HG1 VAL 29 -0.037 4.827 -5.306 259 1HG2 VAL 29 1HG2 VAL 29 1.365 3.814 -6.497 260 2HG2 VAL 29 2HG2 VAL 29 2.669 3.666 -5.318 261 3HG2 VAL 29 3HG2 VAL 29 2.073 2.234 -6.158 262 H ILE 30 H ILE 30 1.529 0.594 -2.663 263 HA ILE 30 HA ILE 30 4.261 0.268 -2.124 264 HB ILE 30 HB ILE 30 2.294 -1.833 -3.040 265 1HG1 ILE 30 2HG1 ILE 30 1.561 -0.607 -1.022 266 2HG1 ILE 30 3HG1 ILE 30 1.951 -2.286 -0.668 267 1HG2 ILE 30 1HG2 ILE 30 5.071 -1.953 -1.963 268 2HG2 ILE 30 2HG2 ILE 30 3.935 -3.242 -1.569 269 3HG2 ILE 30 3HG2 ILE 30 4.322 -2.893 -3.253 270 1HD1 ILE 30 1HD1 ILE 30 4.066 -1.633 0.281 271 2HD1 ILE 30 2HD1 ILE 30 3.780 0.049 -0.167 272 3HD1 ILE 30 3HD1 ILE 30 2.762 -0.726 1.046 273 HA PRO 31 HA PRO 31 5.677 0.520 -6.373 274 1HB PRO 31 2HB PRO 31 8.317 0.453 -5.744 275 2HB PRO 31 3HB PRO 31 7.332 1.914 -5.597 276 1HG PRO 31 2HG PRO 31 8.161 -0.035 -3.481 277 2HG PRO 31 3HG PRO 31 8.124 1.737 -3.417 278 1HD PRO 31 2HD PRO 31 6.185 0.199 -2.318 279 2HD PRO 31 3HD PRO 31 5.856 1.801 -3.012 280 H LYS 32 H LYS 32 5.928 -1.984 -4.103 281 HA LYS 32 HA LYS 32 6.958 -3.806 -6.176 282 1HB LYS 32 2HB LYS 32 7.818 -3.428 -3.389 283 2HB LYS 32 3HB LYS 32 7.541 -5.105 -3.839 284 1HG LYS 32 2HG LYS 32 9.078 -4.823 -5.741 285 2HG LYS 32 3HG LYS 32 9.390 -3.167 -5.215 286 1HD LYS 32 2HD LYS 32 9.803 -5.496 -3.368 287 2HD LYS 32 3HD LYS 32 11.052 -5.003 -4.514 288 1HE LYS 32 2HE LYS 32 10.806 -2.669 -3.530 289 2HE LYS 32 3HE LYS 32 9.875 -3.427 -2.239 290 1HZ LYS 32 1HZ LYS 32 12.725 -3.496 -2.749 291 2HZ LYS 32 2HZ LYS 32 12.047 -4.977 -2.295 292 3HZ LYS 32 3HZ LYS 32 11.882 -3.628 -1.288 293 HA PRO 33 HA PRO 33 2.699 -5.113 -4.899 294 1HB PRO 33 2HB PRO 33 1.860 -5.640 -7.426 295 2HB PRO 33 3HB PRO 33 1.765 -4.032 -6.700 296 1HG PRO 33 2HG PRO 33 3.805 -5.141 -8.590 297 2HG PRO 33 3HG PRO 33 3.025 -3.548 -8.594 298 1HD PRO 33 2HD PRO 33 5.524 -3.944 -7.629 299 2HD PRO 33 3HD PRO 33 4.427 -2.718 -6.962 300 HA PRO 34 HA PRO 34 3.388 -9.451 -5.091 301 1HB PRO 34 2HB PRO 34 0.889 -10.437 -5.487 302 2HB PRO 34 3HB PRO 34 1.411 -9.728 -3.954 303 1HG PRO 34 2HG PRO 34 -0.186 -8.496 -6.166 304 2HG PRO 34 3HG PRO 34 -0.435 -8.390 -4.413 305 1HD PRO 34 2HD PRO 34 0.742 -6.412 -5.839 306 2HD PRO 34 3HD PRO 34 1.179 -6.764 -4.155 307 H LYS 35 H LYS 35 2.462 -11.486 -6.447 308 HA LYS 35 HA LYS 35 3.392 -11.031 -9.128 309 1HB LYS 35 2HB LYS 35 2.670 -13.386 -7.471 310 2HB LYS 35 3HB LYS 35 2.543 -13.577 -9.215 311 1HG LYS 35 2HG LYS 35 4.707 -14.324 -8.428 312 2HG LYS 35 3HG LYS 35 4.882 -12.899 -9.456 313 1HD LYS 35 2HD LYS 35 6.323 -12.604 -7.582 314 2HD LYS 35 3HD LYS 35 4.951 -11.515 -7.362 315 1HE LYS 35 2HE LYS 35 5.413 -12.569 -5.264 316 2HE LYS 35 3HE LYS 35 3.907 -13.236 -5.894 317 1HZ LYS 35 1HZ LYS 35 6.583 -14.520 -5.986 318 2HZ LYS 35 2HZ LYS 35 5.194 -15.147 -6.720 319 3HZ LYS 35 3HZ LYS 35 5.266 -14.997 -5.037 320 H PHE 36 H PHE 36 2.241 -11.297 -11.047 321 HA PHE 36 HA PHE 36 -0.463 -10.420 -10.979 322 1HB PHE 36 2HB PHE 36 1.172 -11.500 -13.286 323 2HB PHE 36 3HB PHE 36 -0.376 -10.674 -13.435 324 HD1 PHE 36 1HD PHE 36 -0.314 -8.355 -11.924 325 HD2 PHE 36 2HD PHE 36 2.951 -10.219 -13.921 326 HE1 PHE 36 1HE PHE 36 0.852 -6.191 -12.031 327 HE2 PHE 36 2HE PHE 36 4.122 -8.058 -14.031 328 HZ PHE 36 HZ PHE 36 3.073 -6.041 -13.084 329 H SER 37 H SER 37 1.097 -13.532 -11.369 330 HA SER 37 HA SER 37 -1.554 -14.796 -11.606 331 1HB SER 37 2HB SER 37 0.975 -16.261 -12.260 332 2HB SER 37 3HB SER 37 -0.648 -16.485 -12.913 333 HG SER 37 HG SER 37 1.356 -15.002 -13.881 334 H LEU 38 H LEU 38 -1.906 -16.774 -10.445 335 HA LEU 38 HA LEU 38 -0.973 -16.666 -7.769 336 1HB LEU 38 2HB LEU 38 -2.695 -18.522 -9.345 337 2HB LEU 38 3HB LEU 38 -2.110 -19.032 -7.763 338 HG LEU 38 HG LEU 38 -3.528 -16.415 -8.042 339 1HD1 LEU 38 1HD1 LEU 38 -5.625 -17.738 -7.443 340 2HD1 LEU 38 2HD1 LEU 38 -4.770 -19.147 -8.071 341 3HD1 LEU 38 3HD1 LEU 38 -5.096 -17.771 -9.125 342 1HD2 LEU 38 1HD2 LEU 38 -2.602 -16.752 -5.911 343 2HD2 LEU 38 2HD2 LEU 38 -3.082 -18.448 -5.875 344 3HD2 LEU 38 3HD2 LEU 38 -4.303 -17.182 -5.738 345 H GLU 39 H GLU 39 -0.084 -18.572 -10.576 346 HA GLU 39 HA GLU 39 2.307 -19.467 -9.172 347 1HB GLU 39 2HB GLU 39 0.613 -21.458 -10.675 348 2HB GLU 39 3HB GLU 39 2.022 -21.778 -9.674 349 1HG GLU 39 2HG GLU 39 0.753 -21.047 -7.696 350 2HG GLU 39 3HG GLU 39 -0.664 -20.818 -8.718 351 H ASP 40 H ASP 40 3.809 -18.587 -10.448 352 HA ASP 40 HA ASP 40 3.501 -18.821 -13.362 353 1HB ASP 40 2HB ASP 40 5.413 -17.094 -13.340 354 2HB ASP 40 3HB ASP 40 3.811 -16.552 -12.849 355 H ARG 41 H ARG 41 5.161 -19.643 -14.638 356 HA ARG 41 HA ARG 41 6.637 -21.773 -13.556 357 1HB ARG 41 2HB ARG 41 5.877 -21.303 -16.004 358 2HB ARG 41 3HB ARG 41 7.407 -20.447 -16.132 359 1HG ARG 41 2HG ARG 41 7.887 -22.576 -16.923 360 2HG ARG 41 3HG ARG 41 8.469 -22.608 -15.258 361 1HD ARG 41 2HD ARG 41 7.311 -24.611 -15.445 362 2HD ARG 41 3HD ARG 41 6.130 -23.537 -14.696 363 HE ARG 41 HE ARG 41 5.870 -23.479 -17.512 364 1HH1 ARG 41 2HH1 ARG 41 5.219 -25.483 -14.741 365 2HH1 ARG 41 1HH1 ARG 41 3.877 -26.293 -15.479 366 1HH2 ARG 41 2HH2 ARG 41 4.105 -24.538 -18.494 367 2HH2 ARG 41 1HH2 ARG 41 3.245 -25.756 -17.614 368 H TRP 42 H TRP 42 7.944 -18.814 -15.063 369 HA TRP 42 HA TRP 42 10.332 -19.114 -13.376 370 1HB TRP 42 2HB TRP 42 9.846 -17.910 -16.071 371 2HB TRP 42 3HB TRP 42 11.177 -17.301 -15.092 372 HD1 TRP 42 1HD TRP 42 9.997 -20.946 -15.769 373 HE1 TRP 42 1HE TRP 42 12.041 -22.297 -16.558 374 HE3 TRP 42 3HE TRP 42 13.488 -17.211 -15.774 375 HZ2 TRP 42 2HZ TRP 42 14.771 -21.840 -17.110 376 HZ3 TRP 42 3HZ TRP 42 15.792 -17.751 -16.446 377 HH2 TRP 42 2HH TRP 42 16.419 -20.018 -17.099 378 H GLY 43 H GLY 43 7.611 -17.087 -14.013 379 1HA GLY 43 2HA GLY 43 6.812 -15.258 -12.867 380 2HA GLY 43 3HA GLY 43 8.085 -15.520 -11.685 381 H LYS 44 H LYS 44 10.163 -14.584 -12.059 382 HA LYS 44 HA LYS 44 10.134 -11.941 -12.861 383 1HB LYS 44 2HB LYS 44 12.496 -11.949 -12.625 384 2HB LYS 44 3HB LYS 44 11.885 -13.115 -11.459 385 1HG LYS 44 2HG LYS 44 12.422 -14.930 -13.045 386 2HG LYS 44 3HG LYS 44 13.123 -13.731 -14.134 387 1HD LYS 44 2HD LYS 44 14.509 -13.077 -11.998 388 2HD LYS 44 3HD LYS 44 14.115 -14.724 -11.502 389 1HE LYS 44 2HE LYS 44 15.195 -15.649 -13.394 390 2HE LYS 44 3HE LYS 44 15.317 -14.077 -14.182 391 1HZ LYS 44 1HZ LYS 44 16.655 -13.619 -11.924 392 2HZ LYS 44 2HZ LYS 44 17.389 -14.145 -13.354 393 3HZ LYS 44 3HZ LYS 44 17.004 -15.260 -12.142 394 H TYR 45 H TYR 45 10.635 -14.817 -14.764 395 HA TYR 45 HA TYR 45 11.859 -13.737 -17.021 396 1HB TYR 45 2HB TYR 45 11.657 -16.118 -16.798 397 2HB TYR 45 3HB TYR 45 9.900 -16.022 -16.752 398 HD1 TYR 45 1HD TYR 45 12.855 -16.036 -18.883 399 HD2 TYR 45 2HD TYR 45 8.627 -15.569 -18.804 400 HE1 TYR 45 1HE TYR 45 12.782 -16.352 -21.320 401 HE2 TYR 45 2HE TYR 45 8.541 -15.886 -21.242 402 HH TYR 45 HH TYR 45 10.238 -15.531 -23.203 403 H ARG 46 H ARG 46 8.571 -13.530 -15.912 404 HA ARG 46 HA ARG 46 7.191 -12.925 -18.224 405 1HB ARG 46 2HB ARG 46 6.460 -13.066 -15.680 406 2HB ARG 46 3HB ARG 46 6.620 -11.317 -15.777 407 1HG ARG 46 2HG ARG 46 4.436 -11.504 -16.342 408 2HG ARG 46 3HG ARG 46 5.144 -11.682 -17.949 409 1HD ARG 46 2HD ARG 46 4.766 -14.121 -16.289 410 2HD ARG 46 3HD ARG 46 3.344 -13.384 -17.025 411 HE ARG 46 HE ARG 46 5.128 -13.577 -19.072 412 1HH1 ARG 46 2HH1 ARG 46 3.775 -15.828 -16.788 413 2HH1 ARG 46 1HH1 ARG 46 3.870 -17.181 -17.866 414 1HH2 ARG 46 2HH2 ARG 46 5.258 -15.350 -20.502 415 2HH2 ARG 46 1HH2 ARG 46 4.714 -16.907 -19.978 416 H ARG 47 H ARG 47 9.131 -10.774 -16.189 417 HA ARG 47 HA ARG 47 8.547 -8.400 -17.616 418 1HB ARG 47 2HB ARG 47 9.735 -8.879 -15.263 419 2HB ARG 47 3HB ARG 47 11.173 -8.669 -16.253 420 1HG ARG 47 2HG ARG 47 10.878 -6.519 -15.618 421 2HG ARG 47 3HG ARG 47 9.836 -6.513 -17.043 422 1HD ARG 47 2HD ARG 47 8.004 -7.267 -15.333 423 2HD ARG 47 3HD ARG 47 9.102 -6.558 -14.150 424 HE ARG 47 HE ARG 47 8.879 -4.601 -15.983 425 1HH1 ARG 47 2HH1 ARG 47 6.519 -6.530 -14.301 426 2HH1 ARG 47 1HH1 ARG 47 5.306 -5.292 -14.315 427 1HH2 ARG 47 2HH2 ARG 47 7.291 -2.964 -16.008 428 2HH2 ARG 47 1HH2 ARG 47 5.746 -3.265 -15.287 429 H MET 48 H MET 48 11.172 -10.765 -17.846 430 HA MET 48 HA MET 48 12.698 -9.395 -19.776 431 1HB MET 48 2HB MET 48 12.551 -12.199 -18.782 432 2HB MET 48 3HB MET 48 13.396 -11.910 -20.296 433 1HG MET 48 2HG MET 48 15.073 -11.800 -18.704 434 2HG MET 48 3HG MET 48 14.684 -10.111 -19.012 435 1HE MET 48 1HE MET 48 15.078 -8.674 -16.842 436 2HE MET 48 2HE MET 48 13.449 -8.575 -17.510 437 3HE MET 48 3HE MET 48 13.682 -8.692 -15.764 438 H LEU 49 H LEU 49 9.789 -11.230 -20.003 439 HA LEU 49 HA LEU 49 9.838 -12.176 -22.598 440 1HB LEU 49 2HB LEU 49 8.039 -12.388 -20.765 441 2HB LEU 49 3HB LEU 49 7.390 -10.894 -21.437 442 HG LEU 49 HG LEU 49 7.849 -13.241 -23.230 443 1HD1 LEU 49 1HD1 LEU 49 5.272 -12.880 -21.744 444 2HD1 LEU 49 2HD1 LEU 49 6.560 -13.904 -21.113 445 3HD1 LEU 49 3HD1 LEU 49 5.832 -14.266 -22.677 446 1HD2 LEU 49 1HD2 LEU 49 5.433 -11.830 -23.682 447 2HD2 LEU 49 2HD2 LEU 49 6.882 -11.879 -24.688 448 3HD2 LEU 49 3HD2 LEU 49 6.715 -10.643 -23.439 449 H LYS 50 H LYS 50 9.492 -8.911 -21.445 450 HA LYS 50 HA LYS 50 8.336 -7.633 -23.600 451 1HB LYS 50 2HB LYS 50 9.512 -5.620 -22.874 452 2HB LYS 50 3HB LYS 50 8.897 -6.511 -21.489 453 1HG LYS 50 2HG LYS 50 11.263 -7.550 -21.409 454 2HG LYS 50 3HG LYS 50 11.717 -6.173 -22.417 455 1HD LYS 50 2HD LYS 50 10.137 -5.694 -19.932 456 2HD LYS 50 3HD LYS 50 11.864 -6.035 -19.797 457 1HE LYS 50 2HE LYS 50 11.907 -3.752 -19.975 458 2HE LYS 50 3HE LYS 50 12.039 -4.203 -21.674 459 1HZ LYS 50 1HZ LYS 50 10.328 -2.425 -20.950 460 2HZ LYS 50 2HZ LYS 50 9.384 -3.752 -20.490 461 3HZ LYS 50 3HZ LYS 50 9.881 -3.585 -22.097 462 H ARG 51 H ARG 51 8.883 -7.347 -25.657 463 HA ARG 51 HA ARG 51 11.714 -7.652 -26.413 464 1HB ARG 51 2HB ARG 51 11.125 -8.862 -28.360 465 2HB ARG 51 3HB ARG 51 10.205 -9.592 -27.051 466 1HG ARG 51 2HG ARG 51 8.398 -7.818 -27.878 467 2HG ARG 51 3HG ARG 51 9.280 -8.040 -29.390 468 1HD ARG 51 2HD ARG 51 7.923 -10.153 -27.727 469 2HD ARG 51 3HD ARG 51 7.473 -9.607 -29.343 470 HE ARG 51 HE ARG 51 10.039 -10.526 -29.598 471 1HH1 ARG 51 2HH1 ARG 51 7.021 -11.860 -28.487 472 2HH1 ARG 51 1HH1 ARG 51 7.409 -13.478 -28.969 473 1HH2 ARG 51 2HH2 ARG 51 10.561 -12.652 -30.238 474 2HH2 ARG 51 1HH2 ARG 51 9.423 -13.928 -29.964 475 H ALA 52 H ALA 52 12.097 -6.731 -28.689 476 HA ALA 52 HA ALA 52 11.173 -3.992 -28.659 477 1HB ALA 52 1HB ALA 52 12.776 -4.727 -30.958 478 2HB ALA 52 2HB ALA 52 13.096 -3.544 -29.689 479 3HB ALA 52 3HB ALA 52 13.516 -5.239 -29.441 480 H LEU 53 H LEU 53 10.660 -6.888 -30.556 481 HA LEU 53 HA LEU 53 9.265 -5.523 -32.673 482 1HB LEU 53 2HB LEU 53 10.480 -7.984 -32.397 483 2HB LEU 53 3HB LEU 53 8.763 -8.380 -32.432 484 HG LEU 53 HG LEU 53 9.793 -8.534 -34.649 485 1HD1 LEU 53 1HD1 LEU 53 7.911 -6.188 -34.529 486 2HD1 LEU 53 2HD1 LEU 53 7.404 -7.864 -34.322 487 3HD1 LEU 53 3HD1 LEU 53 8.119 -7.342 -35.846 488 1HD2 LEU 53 1HD2 LEU 53 10.662 -6.622 -35.789 489 2HD2 LEU 53 2HD2 LEU 53 11.498 -6.752 -34.241 490 3HD2 LEU 53 3HD2 LEU 53 10.218 -5.557 -34.455 491 H LYS 54 H LYS 54 7.288 -4.742 -32.436 492 HA LYS 54 HA LYS 54 5.477 -5.987 -30.492 493 1HB LYS 54 2HB LYS 54 5.771 -3.246 -31.611 494 2HB LYS 54 3HB LYS 54 4.150 -3.772 -31.178 495 1HG LYS 54 2HG LYS 54 4.868 -2.743 -29.248 496 2HG LYS 54 3HG LYS 54 5.233 -4.439 -28.924 497 1HD LYS 54 2HD LYS 54 7.158 -3.267 -28.260 498 2HD LYS 54 3HD LYS 54 7.561 -3.942 -29.841 499 1HE LYS 54 2HE LYS 54 8.311 -1.771 -30.049 500 2HE LYS 54 3HE LYS 54 6.690 -1.656 -30.733 501 1HZ LYS 54 1HZ LYS 54 7.328 0.129 -29.109 502 2HZ LYS 54 2HZ LYS 54 7.275 -1.046 -27.894 503 3HZ LYS 54 3HZ LYS 54 5.877 -0.672 -28.770 504 H ASN 55 H ASN 55 3.830 -7.193 -31.161 505 HA ASN 55 HA ASN 55 3.390 -7.909 -33.805 506 1HB ASN 55 2HB ASN 55 2.555 -8.959 -31.539 507 2HB ASN 55 3HB ASN 55 1.121 -7.988 -31.854 508 1HD2 ASN 55 1HD2 ASN 55 2.990 -10.723 -32.799 509 2HD2 ASN 55 2HD2 ASN 55 1.874 -11.357 -33.954 510 H LYS 56 H LYS 56 1.736 -7.419 -35.295 511 HA LYS 56 HA LYS 56 1.169 -4.698 -35.625 512 1HB LYS 56 2HB LYS 56 0.582 -7.180 -37.012 513 2HB LYS 56 3HB LYS 56 -0.772 -6.063 -37.094 514 1HG LYS 56 2HG LYS 56 0.575 -4.383 -38.110 515 2HG LYS 56 3HG LYS 56 2.048 -5.314 -37.826 516 1HD LYS 56 2HD LYS 56 -0.236 -6.213 -39.580 517 2HD LYS 56 3HD LYS 56 1.232 -5.430 -40.170 518 1HE LYS 56 2HE LYS 56 2.489 -7.309 -38.968 519 2HE LYS 56 3HE LYS 56 0.928 -8.125 -38.877 520 1HZ LYS 56 1HZ LYS 56 2.397 -8.679 -40.841 521 2HZ LYS 56 2HZ LYS 56 2.036 -7.139 -41.437 522 3HZ LYS 56 3HZ LYS 56 0.795 -8.264 -41.196 523 H ASN 57 H ASN 57 -0.966 -3.673 -35.740 524 HA ASN 57 HA ASN 57 -2.618 -4.501 -33.462 525 1HB ASN 57 2HB ASN 57 -3.569 -2.152 -33.706 526 2HB ASN 57 3HB ASN 57 -1.883 -2.258 -33.207 527 1HD2 ASN 57 1HD2 ASN 57 -0.250 -1.811 -34.752 528 2HD2 ASN 57 2HD2 ASN 57 -0.584 -0.813 -36.123 529 H LYS 58 H LYS 58 -4.442 -5.543 -33.865 530 HA LYS 58 HA LYS 58 -6.120 -4.733 -36.101 531 1HB LYS 58 2HB LYS 58 -4.567 -6.605 -36.858 532 2HB LYS 58 3HB LYS 58 -5.431 -7.646 -35.733 533 1HG LYS 58 2HG LYS 58 -6.590 -8.089 -37.636 534 2HG LYS 58 3HG LYS 58 -7.531 -6.724 -37.033 535 1HD LYS 58 2HD LYS 58 -6.066 -5.238 -38.452 536 2HD LYS 58 3HD LYS 58 -5.422 -6.710 -39.184 537 1HE LYS 58 2HE LYS 58 -8.374 -6.361 -39.072 538 2HE LYS 58 3HE LYS 58 -7.465 -5.408 -40.243 539 1HZ LYS 58 1HZ LYS 58 -7.964 -7.307 -41.417 540 2HZ LYS 58 2HZ LYS 58 -7.782 -8.329 -40.083 541 3HZ LYS 58 3HZ LYS 58 -6.418 -7.674 -40.837 542 H ALA 59 H ALA 59 -8.171 -4.622 -35.465 543 HA ALA 59 HA ALA 59 -8.921 -5.632 -32.864 544 1HB ALA 59 1HB ALA 59 -9.725 -3.469 -33.351 545 2HB ALA 59 2HB ALA 59 -10.352 -3.970 -34.921 546 3HB ALA 59 3HB ALA 59 -11.129 -4.532 -33.441 547 H GLU 60 H GLU 60 -10.300 -7.283 -32.414 548 HA GLU 60 HA GLU 60 -11.213 -8.891 -34.708 549 1HB GLU 60 2HB GLU 60 -10.112 -9.644 -32.033 550 2HB GLU 60 3HB GLU 60 -11.267 -10.721 -32.806 551 1HG GLU 60 2HG GLU 60 -9.310 -11.597 -33.571 552 2HG GLU 60 3HG GLU 60 -9.669 -10.454 -34.864 Start of MODEL 13 1 1H GLY -2 H GLY -3 25.506 2.324 -0.909 2 1HA GLY -2 2HA GLY -3 23.369 2.839 -2.558 3 2HA GLY -2 3HA GLY -3 24.273 1.332 -2.580 4 H SER -1 H SER -2 21.260 2.555 -2.363 5 HA SER -1 HA SER -2 20.205 0.733 -0.374 6 1HB SER -1 2HB SER -2 19.068 2.897 -2.098 7 2HB SER -1 3HB SER -2 17.975 1.687 -1.426 8 HG SER -1 HG SER -2 18.063 3.225 0.108 9 H HIS 0 H HIS -1 18.933 -1.056 -0.760 10 HA HIS 0 HA HIS -1 18.702 -1.940 -3.556 11 1HB HIS 0 2HB HIS -1 19.458 -3.709 -1.221 12 2HB HIS 0 3HB HIS -1 19.279 -4.215 -2.899 13 HD1 HIS 0 1HD HIS -1 21.859 -3.730 -0.670 14 HD2 HIS 0 2HD HIS -1 21.173 -2.266 -4.497 15 HE1 HIS 0 1HE HIS -1 24.118 -3.063 -1.549 16 H MET 1 H MET 1 17.134 -3.829 -3.745 17 HA MET 1 HA MET 1 14.605 -3.048 -2.905 18 1HB MET 1 2HB MET 1 13.797 -5.088 -3.815 19 2HB MET 1 3HB MET 1 15.175 -4.617 -4.801 20 1HG MET 1 2HG MET 1 16.485 -6.165 -3.136 21 2HG MET 1 3HG MET 1 14.891 -6.872 -2.886 22 1HE MET 1 1HE MET 1 13.482 -8.048 -4.710 23 2HE MET 1 2HE MET 1 14.393 -9.160 -5.730 24 3HE MET 1 3HE MET 1 14.677 -9.127 -3.989 25 H VAL 2 H VAL 2 13.228 -3.684 -1.274 26 HA VAL 2 HA VAL 2 14.103 -5.634 0.689 27 HB VAL 2 HB VAL 2 15.178 -3.633 1.536 28 1HG1 VAL 2 1HG1 VAL 2 13.658 -2.027 0.382 29 2HG1 VAL 2 2HG1 VAL 2 12.452 -2.350 1.629 30 3HG1 VAL 2 3HG1 VAL 2 13.997 -1.618 2.063 31 1HG2 VAL 2 1HG2 VAL 2 14.297 -3.634 3.754 32 2HG2 VAL 2 2HG2 VAL 2 12.712 -4.159 3.186 33 3HG2 VAL 2 3HG2 VAL 2 14.087 -5.259 3.100 34 H GLU 3 H GLU 3 12.425 -6.651 1.642 35 HA GLU 3 HA GLU 3 9.762 -5.977 0.741 36 1HB GLU 3 2HB GLU 3 10.482 -8.317 0.779 37 2HB GLU 3 3HB GLU 3 10.740 -8.221 2.515 38 1HG GLU 3 2HG GLU 3 8.294 -7.674 2.734 39 2HG GLU 3 3HG GLU 3 8.134 -8.094 1.030 40 H MET 4 H MET 4 8.634 -4.471 1.771 41 HA MET 4 HA MET 4 8.169 -4.677 4.598 42 1HB MET 4 2HB MET 4 10.313 -3.092 3.843 43 2HB MET 4 3HB MET 4 9.000 -1.939 4.042 44 1HG MET 4 2HG MET 4 9.225 -3.908 6.196 45 2HG MET 4 3HG MET 4 10.610 -2.830 6.033 46 1HE MET 4 1HE MET 4 9.814 0.419 6.767 47 2HE MET 4 2HE MET 4 10.014 -0.515 8.250 48 3HE MET 4 3HE MET 4 10.916 -0.958 6.800 49 H ARG 5 H ARG 5 6.507 -3.173 5.342 50 HA ARG 5 HA ARG 5 4.400 -2.929 3.482 51 1HB ARG 5 2HB ARG 5 3.274 -1.630 5.312 52 2HB ARG 5 3HB ARG 5 3.864 -3.214 5.793 53 1HG ARG 5 2HG ARG 5 5.359 -2.366 7.244 54 2HG ARG 5 3HG ARG 5 5.734 -0.982 6.215 55 1HD ARG 5 2HD ARG 5 4.162 0.320 7.174 56 2HD ARG 5 3HD ARG 5 3.020 -1.012 7.351 57 HE ARG 5 HE ARG 5 5.276 -1.137 9.138 58 1HH1 ARG 5 2HH1 ARG 5 2.046 0.067 8.650 59 2HH1 ARG 5 1HH1 ARG 5 1.710 0.226 10.342 60 1HH2 ARG 5 2HH2 ARG 5 4.845 -0.933 11.368 61 2HH2 ARG 5 1HH2 ARG 5 3.303 -0.342 11.888 62 H MET 6 H MET 6 7.079 -0.944 4.107 63 HA MET 6 HA MET 6 6.167 1.630 3.739 64 1HB MET 6 2HB MET 6 8.562 0.752 4.163 65 2HB MET 6 3HB MET 6 8.685 0.666 2.410 66 1HG MET 6 2HG MET 6 8.652 2.937 2.154 67 2HG MET 6 3HG MET 6 7.764 3.203 3.652 68 1HE MET 6 1HE MET 6 10.163 5.377 4.003 69 2HE MET 6 2HE MET 6 8.695 4.772 4.770 70 3HE MET 6 3HE MET 6 10.225 4.747 5.649 71 H LYS 7 H LYS 7 5.573 2.884 2.033 72 HA LYS 7 HA LYS 7 5.360 1.541 -0.583 73 1HB LYS 7 2HB LYS 7 3.421 3.276 -0.870 74 2HB LYS 7 3HB LYS 7 3.143 1.785 0.019 75 1HG LYS 7 2HG LYS 7 4.080 4.058 1.632 76 2HG LYS 7 3HG LYS 7 2.474 4.233 0.919 77 1HD LYS 7 2HD LYS 7 3.368 1.854 2.544 78 2HD LYS 7 3HD LYS 7 2.467 3.224 3.197 79 1HE LYS 7 2HE LYS 7 0.769 2.712 1.325 80 2HE LYS 7 3HE LYS 7 1.584 1.152 1.215 81 1HZ LYS 7 1HZ LYS 7 0.787 0.490 3.213 82 2HZ LYS 7 2HZ LYS 7 -0.461 1.559 2.813 83 3HZ LYS 7 3HZ LYS 7 0.766 2.049 3.870 84 H LYS 8 H LYS 8 4.930 3.340 -2.349 85 HA LYS 8 HA LYS 8 6.712 5.625 -1.894 86 1HB LYS 8 2HB LYS 8 8.016 3.820 -2.981 87 2HB LYS 8 3HB LYS 8 6.861 3.810 -4.308 88 1HG LYS 8 2HG LYS 8 7.445 6.231 -4.684 89 2HG LYS 8 3HG LYS 8 8.768 6.000 -3.539 90 1HD LYS 8 2HD LYS 8 9.910 5.496 -5.430 91 2HD LYS 8 3HD LYS 8 9.208 3.901 -5.149 92 1HE LYS 8 2HE LYS 8 7.342 5.522 -6.588 93 2HE LYS 8 3HE LYS 8 8.904 5.574 -7.403 94 1HZ LYS 8 1HZ LYS 8 7.137 3.280 -6.918 95 2HZ LYS 8 2HZ LYS 8 8.804 3.015 -7.035 96 3HZ LYS 8 3HZ LYS 8 7.966 3.718 -8.326 97 H CYS 9 H CYS 9 6.238 7.461 -3.093 98 HA CYS 9 HA CYS 9 3.533 7.711 -3.956 99 1HB CYS 9 2HB CYS 9 4.787 9.548 -2.862 100 2HB CYS 9 3HB CYS 9 5.823 9.662 -4.279 101 HA PRO 10 HA PRO 10 4.339 6.321 -8.124 102 1HB PRO 10 2HB PRO 10 1.770 6.549 -8.971 103 2HB PRO 10 3HB PRO 10 2.338 5.201 -7.980 104 1HG PRO 10 2HG PRO 10 0.864 7.672 -7.152 105 2HG PRO 10 3HG PRO 10 0.614 5.994 -6.636 106 1HD PRO 10 2HD PRO 10 1.961 7.797 -5.130 107 2HD PRO 10 3HD PRO 10 2.356 6.066 -5.128 108 H LYS 11 H LYS 11 3.489 9.375 -7.005 109 HA LYS 11 HA LYS 11 3.267 10.541 -9.679 110 1HB LYS 11 2HB LYS 11 2.363 11.279 -7.016 111 2HB LYS 11 3HB LYS 11 3.185 12.611 -7.818 112 1HG LYS 11 2HG LYS 11 0.778 12.665 -8.208 113 2HG LYS 11 3HG LYS 11 1.676 12.436 -9.710 114 1HD LYS 11 2HD LYS 11 1.119 10.135 -9.800 115 2HD LYS 11 3HD LYS 11 0.521 10.143 -8.140 116 1HE LYS 11 2HE LYS 11 -1.308 11.627 -8.815 117 2HE LYS 11 3HE LYS 11 -0.709 11.607 -10.473 118 1HZ LYS 11 1HZ LYS 11 -2.392 9.746 -9.177 119 2HZ LYS 11 2HZ LYS 11 -0.987 8.963 -9.700 120 3HZ LYS 11 3HZ LYS 11 -1.942 9.815 -10.806 121 H CYS 12 H CYS 12 5.296 10.672 -6.784 122 HA CYS 12 HA CYS 12 7.308 12.159 -8.337 123 1HB CYS 12 2HB CYS 12 7.261 11.921 -5.333 124 2HB CYS 12 3HB CYS 12 8.133 13.088 -6.320 125 H GLY 13 H GLY 13 7.108 9.745 -5.711 126 1HA GLY 13 2HA GLY 13 8.161 7.549 -6.211 127 2HA GLY 13 3HA GLY 13 9.502 8.465 -6.880 128 H LEU 14 H LEU 14 7.893 9.529 -3.987 129 HA LEU 14 HA LEU 14 10.371 9.148 -2.504 130 1HB LEU 14 2HB LEU 14 9.608 11.280 -2.125 131 2HB LEU 14 3HB LEU 14 7.915 10.793 -2.157 132 HG LEU 14 HG LEU 14 8.205 9.780 0.083 133 1HD1 LEU 14 1HD1 LEU 14 10.157 9.859 1.284 134 2HD1 LEU 14 2HD1 LEU 14 10.794 11.227 0.373 135 3HD1 LEU 14 3HD1 LEU 14 10.782 9.616 -0.347 136 1HD2 LEU 14 1HD2 LEU 14 8.116 11.825 1.285 137 2HD2 LEU 14 2HD2 LEU 14 7.420 12.138 -0.305 138 3HD2 LEU 14 3HD2 LEU 14 9.064 12.665 0.059 139 H TYR 15 H TYR 15 10.640 7.751 -0.855 140 HA TYR 15 HA TYR 15 8.583 5.754 -0.438 141 1HB TYR 15 2HB TYR 15 11.468 5.929 -0.082 142 2HB TYR 15 3HB TYR 15 10.676 5.179 1.299 143 HD1 TYR 15 1HD TYR 15 10.544 5.024 -2.438 144 HD2 TYR 15 2HD TYR 15 10.426 2.890 1.241 145 HE1 TYR 15 1HE TYR 15 10.404 2.904 -3.679 146 HE2 TYR 15 2HE TYR 15 10.286 0.766 0.012 147 HH TYR 15 HH TYR 15 11.034 -0.015 -2.407 148 H THR 16 H THR 16 7.552 5.301 1.486 149 HA THR 16 HA THR 16 8.113 6.522 3.960 150 HB THR 16 HB THR 16 7.318 8.560 2.803 151 HG1 THR 16 1HG THR 16 6.271 9.177 4.578 152 1HG2 THR 16 1HG2 THR 16 4.535 7.502 2.790 153 2HG2 THR 16 2HG2 THR 16 5.602 7.067 1.454 154 3HG2 THR 16 3HG2 THR 16 5.267 8.763 1.800 155 H LEU 17 H LEU 17 6.194 6.279 5.508 156 HA LEU 17 HA LEU 17 4.650 3.883 4.762 157 1HB LEU 17 2HB LEU 17 5.671 4.599 7.506 158 2HB LEU 17 3HB LEU 17 4.801 3.133 7.055 159 HG LEU 17 HG LEU 17 7.275 3.544 5.548 160 1HD1 LEU 17 1HD1 LEU 17 7.279 3.629 8.506 161 2HD1 LEU 17 2HD1 LEU 17 8.417 4.316 7.347 162 3HD1 LEU 17 3HD1 LEU 17 8.475 2.594 7.725 163 1HD2 LEU 17 1HD2 LEU 17 5.703 1.494 5.774 164 2HD2 LEU 17 2HD2 LEU 17 6.580 1.205 7.278 165 3HD2 LEU 17 3HD2 LEU 17 7.449 1.245 5.743 166 H LYS 18 H LYS 18 4.351 7.064 5.275 167 HA LYS 18 HA LYS 18 2.073 7.109 7.031 168 1HB LYS 18 2HB LYS 18 3.393 9.181 5.287 169 2HB LYS 18 3HB LYS 18 1.915 9.516 6.178 170 1HG LYS 18 2HG LYS 18 4.132 8.359 7.738 171 2HG LYS 18 3HG LYS 18 4.370 10.001 7.134 172 1HD LYS 18 2HD LYS 18 3.354 10.434 9.147 173 2HD LYS 18 3HD LYS 18 1.946 10.357 8.085 174 1HE LYS 18 2HE LYS 18 1.368 8.210 8.825 175 2HE LYS 18 3HE LYS 18 2.958 7.930 9.532 176 1HZ LYS 18 1HZ LYS 18 1.016 9.939 10.533 177 2HZ LYS 18 2HZ LYS 18 2.483 9.501 11.253 178 3HZ LYS 18 3HZ LYS 18 1.208 8.391 11.188 179 H GLU 19 H GLU 19 2.461 6.075 3.932 180 HA GLU 19 HA GLU 19 1.020 5.545 2.254 181 1HB GLU 19 2HB GLU 19 -1.173 6.362 4.165 182 2HB GLU 19 3HB GLU 19 -1.333 5.327 2.753 183 1HG GLU 19 2HG GLU 19 0.554 3.986 4.147 184 2HG GLU 19 3HG GLU 19 -0.379 4.705 5.456 185 H ILE 20 H ILE 20 1.728 8.494 3.141 186 HA ILE 20 HA ILE 20 0.261 9.701 0.923 187 HB ILE 20 HB ILE 20 0.353 10.920 3.684 188 1HG1 ILE 20 2HG1 ILE 20 -1.342 9.106 3.300 189 2HG1 ILE 20 3HG1 ILE 20 -2.034 10.672 3.709 190 1HG2 ILE 20 1HG2 ILE 20 0.043 12.099 1.056 191 2HG2 ILE 20 2HG2 ILE 20 -1.345 12.421 2.093 192 3HG2 ILE 20 3HG2 ILE 20 0.274 12.877 2.622 193 1HD1 ILE 20 1HD1 ILE 20 -2.694 9.050 1.555 194 2HD1 ILE 20 2HD1 ILE 20 -3.201 10.716 1.830 195 3HD1 ILE 20 3HD1 ILE 20 -1.769 10.379 0.858 196 H CYS 21 H CYS 21 1.439 11.145 -0.223 197 HA CYS 21 HA CYS 21 4.245 11.349 0.364 198 1HB CYS 21 2HB CYS 21 3.459 11.078 -1.945 199 2HB CYS 21 3HB CYS 21 2.602 12.610 -1.842 200 HA PRO 22 HA PRO 22 3.659 15.071 2.780 201 1HB PRO 22 2HB PRO 22 6.266 15.309 3.499 202 2HB PRO 22 3HB PRO 22 5.158 14.169 4.270 203 1HG PRO 22 2HG PRO 22 7.192 13.678 2.129 204 2HG PRO 22 3HG PRO 22 6.818 12.704 3.563 205 1HD PRO 22 2HD PRO 22 5.896 12.078 1.096 206 2HD PRO 22 3HD PRO 22 4.980 11.726 2.575 207 H LYS 23 H LYS 23 5.292 14.597 -0.132 208 HA LYS 23 HA LYS 23 6.418 17.260 -0.312 209 1HB LYS 23 2HB LYS 23 6.914 14.814 -1.575 210 2HB LYS 23 3HB LYS 23 6.240 15.842 -2.832 211 1HG LYS 23 2HG LYS 23 8.631 16.030 -2.848 212 2HG LYS 23 3HG LYS 23 7.935 17.555 -2.293 213 1HD LYS 23 2HD LYS 23 8.263 16.307 0.068 214 2HD LYS 23 3HD LYS 23 9.584 15.576 -0.845 215 1HE LYS 23 2HE LYS 23 9.094 18.530 -0.475 216 2HE LYS 23 3HE LYS 23 10.332 17.574 0.337 217 1HZ LYS 23 1HZ LYS 23 10.174 17.862 -2.610 218 2HZ LYS 23 2HZ LYS 23 11.448 17.215 -1.705 219 3HZ LYS 23 3HZ LYS 23 11.112 18.872 -1.629 220 H CYS 24 H CYS 24 4.031 15.438 -2.244 221 HA CYS 24 HA CYS 24 2.818 17.998 -3.018 222 1HB CYS 24 2HB CYS 24 1.700 16.662 -4.806 223 2HB CYS 24 3HB CYS 24 3.456 16.647 -4.908 224 H GLY 25 H GLY 25 2.074 14.829 -1.647 225 1HA GLY 25 2HA GLY 25 0.426 14.950 0.226 226 2HA GLY 25 3HA GLY 25 -0.576 15.886 -0.873 227 H GLU 26 H GLU 26 0.265 14.116 -3.143 228 HA GLU 26 HA GLU 26 -1.914 12.433 -3.243 229 1HB GLU 26 2HB GLU 26 -0.464 13.059 -5.173 230 2HB GLU 26 3HB GLU 26 0.751 11.934 -4.580 231 1HG GLU 26 2HG GLU 26 -0.827 11.171 -6.451 232 2HG GLU 26 3HG GLU 26 -0.522 10.076 -5.104 233 H LYS 27 H LYS 27 -2.315 10.302 -2.764 234 HA LYS 27 HA LYS 27 -0.983 9.197 -0.532 235 1HB LYS 27 2HB LYS 27 -2.760 7.658 -2.418 236 2HB LYS 27 3HB LYS 27 -2.506 7.380 -0.701 237 1HG LYS 27 2HG LYS 27 -3.469 9.912 -0.674 238 2HG LYS 27 3HG LYS 27 -4.317 9.237 -2.067 239 1HD LYS 27 2HD LYS 27 -4.198 7.764 0.543 240 2HD LYS 27 3HD LYS 27 -5.407 9.019 0.257 241 1HE LYS 27 2HE LYS 27 -6.390 7.817 -1.507 242 2HE LYS 27 3HE LYS 27 -5.002 6.741 -1.659 243 1HZ LYS 27 1HZ LYS 27 -7.257 6.134 -0.342 244 2HZ LYS 27 2HZ LYS 27 -6.290 6.693 0.928 245 3HZ LYS 27 3HZ LYS 27 -5.757 5.412 -0.040 246 H THR 28 H THR 28 0.405 7.458 -0.342 247 HA THR 28 HA THR 28 2.054 6.940 -2.675 248 HB THR 28 HB THR 28 3.295 5.478 -0.857 249 HG1 THR 28 1HG THR 28 2.951 6.374 1.234 250 1HG2 THR 28 1HG2 THR 28 3.720 8.242 -0.104 251 2HG2 THR 28 2HG2 THR 28 3.577 8.063 -1.852 252 3HG2 THR 28 3HG2 THR 28 4.787 7.135 -0.968 253 H VAL 29 H VAL 29 2.565 4.850 -3.447 254 HA VAL 29 HA VAL 29 0.700 2.717 -2.653 255 HB VAL 29 HB VAL 29 0.346 2.061 -4.937 256 1HG1 VAL 29 1HG1 VAL 29 -0.035 5.029 -5.022 257 2HG1 VAL 29 2HG1 VAL 29 -1.103 3.749 -5.599 258 3HG1 VAL 29 3HG1 VAL 29 -0.930 4.041 -3.868 259 1HG2 VAL 29 1HG2 VAL 29 1.298 3.968 -6.618 260 2HG2 VAL 29 2HG2 VAL 29 2.598 3.881 -5.430 261 3HG2 VAL 29 3HG2 VAL 29 2.099 2.429 -6.298 262 H ILE 30 H ILE 30 1.422 0.548 -3.255 263 HA ILE 30 HA ILE 30 4.095 0.078 -2.514 264 HB ILE 30 HB ILE 30 2.300 -1.854 -3.980 265 1HG1 ILE 30 2HG1 ILE 30 1.081 -0.966 -2.079 266 2HG1 ILE 30 3HG1 ILE 30 1.602 -2.609 -1.718 267 1HG2 ILE 30 1HG2 ILE 30 3.873 -3.101 -2.001 268 2HG2 ILE 30 2HG2 ILE 30 3.995 -3.265 -3.751 269 3HG2 ILE 30 3HG2 ILE 30 4.942 -2.036 -2.913 270 1HD1 ILE 30 1HD1 ILE 30 1.876 -1.112 0.190 271 2HD1 ILE 30 2HD1 ILE 30 3.422 -1.754 -0.365 272 3HD1 ILE 30 3HD1 ILE 30 2.960 -0.100 -0.763 273 HA PRO 31 HA PRO 31 5.899 0.959 -6.522 274 1HB PRO 31 2HB PRO 31 8.469 0.689 -5.691 275 2HB PRO 31 3HB PRO 31 7.508 2.141 -5.385 276 1HG PRO 31 2HG PRO 31 8.097 -0.161 -3.563 277 2HG PRO 31 3HG PRO 31 8.096 1.576 -3.207 278 1HD PRO 31 2HD PRO 31 6.030 -0.046 -2.551 279 2HD PRO 31 3HD PRO 31 5.803 1.659 -2.991 280 H LYS 32 H LYS 32 7.211 -1.636 -4.451 281 HA LYS 32 HA LYS 32 7.235 -3.389 -6.817 282 1HB LYS 32 2HB LYS 32 9.380 -2.954 -4.760 283 2HB LYS 32 3HB LYS 32 9.266 -4.482 -5.623 284 1HG LYS 32 2HG LYS 32 9.316 -1.928 -7.161 285 2HG LYS 32 3HG LYS 32 10.816 -2.585 -6.501 286 1HD LYS 32 2HD LYS 32 10.826 -3.615 -8.537 287 2HD LYS 32 3HD LYS 32 9.900 -4.807 -7.620 288 1HE LYS 32 2HE LYS 32 7.943 -4.288 -8.661 289 2HE LYS 32 3HE LYS 32 8.392 -2.600 -8.902 290 1HZ LYS 32 1HZ LYS 32 9.986 -4.506 -10.380 291 2HZ LYS 32 2HZ LYS 32 9.304 -3.044 -10.885 292 3HZ LYS 32 3HZ LYS 32 8.359 -4.447 -10.841 293 HA PRO 33 HA PRO 33 5.049 -6.348 -4.424 294 1HB PRO 33 2HB PRO 33 6.083 -8.683 -5.345 295 2HB PRO 33 3HB PRO 33 4.996 -7.671 -6.303 296 1HG PRO 33 2HG PRO 33 7.981 -7.870 -6.406 297 2HG PRO 33 3HG PRO 33 6.819 -7.782 -7.742 298 1HD PRO 33 2HD PRO 33 8.235 -5.634 -6.900 299 2HD PRO 33 3HD PRO 33 6.594 -5.496 -7.563 300 HA PRO 34 HA PRO 34 7.286 -7.691 -0.885 301 1HB PRO 34 2HB PRO 34 6.056 -10.026 -0.251 302 2HB PRO 34 3HB PRO 34 5.296 -8.447 -0.022 303 1HG PRO 34 2HG PRO 34 4.931 -10.421 -2.243 304 2HG PRO 34 3HG PRO 34 3.709 -9.467 -1.382 305 1HD PRO 34 2HD PRO 34 4.643 -8.770 -3.826 306 2HD PRO 34 3HD PRO 34 4.133 -7.570 -2.621 307 H LYS 35 H LYS 35 9.276 -8.495 -0.746 308 HA LYS 35 HA LYS 35 10.222 -10.478 -2.595 309 1HB LYS 35 2HB LYS 35 11.508 -8.462 -1.597 310 2HB LYS 35 3HB LYS 35 11.757 -9.504 -0.202 311 1HG LYS 35 2HG LYS 35 12.438 -10.574 -2.888 312 2HG LYS 35 3HG LYS 35 13.507 -9.368 -2.168 313 1HD LYS 35 2HD LYS 35 12.645 -11.630 -0.451 314 2HD LYS 35 3HD LYS 35 13.802 -11.981 -1.737 315 1HE LYS 35 2HE LYS 35 14.260 -9.645 0.066 316 2HE LYS 35 3HE LYS 35 14.635 -11.270 0.637 317 1HZ LYS 35 1HZ LYS 35 16.058 -11.555 -1.326 318 2HZ LYS 35 2HZ LYS 35 16.578 -10.283 -0.339 319 3HZ LYS 35 3HZ LYS 35 15.752 -9.954 -1.778 320 H PHE 36 H PHE 36 10.138 -12.601 -2.327 321 HA PHE 36 HA PHE 36 10.618 -13.828 0.224 322 1HB PHE 36 2HB PHE 36 8.067 -13.141 -0.003 323 2HB PHE 36 3HB PHE 36 7.995 -14.618 -0.959 324 HD1 PHE 36 1HD PHE 36 7.314 -16.486 0.167 325 HD2 PHE 36 2HD PHE 36 9.513 -13.508 2.268 326 HE1 PHE 36 1HE PHE 36 7.135 -17.813 2.232 327 HE2 PHE 36 2HE PHE 36 9.338 -14.830 4.334 328 HZ PHE 36 HZ PHE 36 8.148 -16.987 4.319 329 H SER 37 H SER 37 12.136 -15.187 -0.504 330 HA SER 37 HA SER 37 11.347 -17.320 -2.284 331 1HB SER 37 2HB SER 37 13.235 -16.970 -3.855 332 2HB SER 37 3HB SER 37 12.068 -15.650 -3.911 333 HG SER 37 HG SER 37 13.463 -14.390 -2.716 334 H LEU 38 H LEU 38 11.904 -18.971 -1.017 335 HA LEU 38 HA LEU 38 14.349 -18.860 0.562 336 1HB LEU 38 2HB LEU 38 12.035 -19.734 1.331 337 2HB LEU 38 3HB LEU 38 12.480 -21.196 0.453 338 HG LEU 38 HG LEU 38 14.304 -20.090 2.553 339 1HD1 LEU 38 1HD1 LEU 38 12.172 -20.200 3.665 340 2HD1 LEU 38 2HD1 LEU 38 13.174 -21.551 4.194 341 3HD1 LEU 38 3HD1 LEU 38 11.880 -21.818 3.026 342 1HD2 LEU 38 1HD2 LEU 38 15.453 -21.923 2.066 343 2HD2 LEU 38 2HD2 LEU 38 14.259 -22.348 0.840 344 3HD2 LEU 38 3HD2 LEU 38 14.064 -22.921 2.496 345 H GLU 39 H GLU 39 13.059 -20.420 -2.272 346 HA GLU 39 HA GLU 39 15.166 -22.381 -2.436 347 1HB GLU 39 2HB GLU 39 14.138 -23.082 -4.482 348 2HB GLU 39 3HB GLU 39 12.856 -22.755 -3.325 349 1HG GLU 39 2HG GLU 39 12.391 -20.634 -4.371 350 2HG GLU 39 3HG GLU 39 13.752 -20.845 -5.470 351 H ASP 40 H ASP 40 14.635 -19.143 -3.503 352 HA ASP 40 HA ASP 40 16.341 -19.023 -5.717 353 1HB ASP 40 2HB ASP 40 15.232 -17.055 -3.786 354 2HB ASP 40 3HB ASP 40 16.622 -16.543 -4.739 355 H ARG 41 H ARG 41 18.281 -20.041 -5.506 356 HA ARG 41 HA ARG 41 19.952 -19.847 -3.228 357 1HB ARG 41 2HB ARG 41 21.684 -20.849 -4.692 358 2HB ARG 41 3HB ARG 41 20.160 -21.724 -4.732 359 1HG ARG 41 2HG ARG 41 19.601 -20.552 -6.844 360 2HG ARG 41 3HG ARG 41 21.209 -19.826 -6.817 361 1HD ARG 41 2HD ARG 41 20.607 -22.781 -6.890 362 2HD ARG 41 3HD ARG 41 21.128 -21.803 -8.262 363 HE ARG 41 HE ARG 41 23.056 -21.435 -6.351 364 1HH1 ARG 41 2HH1 ARG 41 21.683 -24.167 -8.015 365 2HH1 ARG 41 1HH1 ARG 41 23.137 -25.107 -7.942 366 1HH2 ARG 41 2HH2 ARG 41 24.975 -22.664 -6.248 367 2HH2 ARG 41 1HH2 ARG 41 25.008 -24.252 -6.936 368 H TRP 42 H TRP 42 19.904 -18.154 -6.335 369 HA TRP 42 HA TRP 42 22.020 -16.366 -5.352 370 1HB TRP 42 2HB TRP 42 21.132 -17.218 -8.072 371 2HB TRP 42 3HB TRP 42 21.840 -15.614 -7.891 372 HD1 TRP 42 1HD TRP 42 22.966 -18.914 -6.192 373 HE1 TRP 42 1HE TRP 42 25.442 -19.302 -6.780 374 HE3 TRP 42 3HE TRP 42 23.679 -14.954 -9.345 375 HZ2 TRP 42 2HZ TRP 42 27.433 -18.089 -8.372 376 HZ3 TRP 42 3HZ TRP 42 25.899 -14.638 -10.359 377 HH2 TRP 42 2HH TRP 42 27.736 -16.175 -9.879 378 H GLY 43 H GLY 43 18.677 -16.524 -6.213 379 1HA GLY 43 2HA GLY 43 16.989 -14.985 -5.935 380 2HA GLY 43 3HA GLY 43 18.148 -13.960 -5.102 381 H LYS 44 H LYS 44 19.454 -12.519 -6.340 382 HA LYS 44 HA LYS 44 18.120 -11.075 -8.275 383 1HB LYS 44 2HB LYS 44 20.996 -11.274 -7.478 384 2HB LYS 44 3HB LYS 44 20.566 -10.329 -8.898 385 1HG LYS 44 2HG LYS 44 19.301 -8.810 -7.645 386 2HG LYS 44 3HG LYS 44 19.235 -9.887 -6.248 387 1HD LYS 44 2HD LYS 44 21.857 -9.622 -6.349 388 2HD LYS 44 3HD LYS 44 21.446 -8.129 -7.195 389 1HE LYS 44 2HE LYS 44 21.579 -7.475 -4.964 390 2HE LYS 44 3HE LYS 44 19.850 -7.699 -5.225 391 1HZ LYS 44 1HZ LYS 44 21.708 -9.278 -3.618 392 2HZ LYS 44 2HZ LYS 44 20.457 -10.111 -4.394 393 3HZ LYS 44 3HZ LYS 44 20.097 -8.862 -3.311 394 H TYR 45 H TYR 45 20.143 -13.892 -8.638 395 HA TYR 45 HA TYR 45 20.814 -13.782 -11.314 396 1HB TYR 45 2HB TYR 45 21.671 -15.530 -9.882 397 2HB TYR 45 3HB TYR 45 20.055 -16.181 -9.636 398 HD1 TYR 45 1HD TYR 45 22.855 -15.887 -11.988 399 HD2 TYR 45 2HD TYR 45 18.985 -17.530 -11.337 400 HE1 TYR 45 1HE TYR 45 23.171 -17.379 -13.916 401 HE2 TYR 45 2HE TYR 45 19.290 -19.028 -13.264 402 HH TYR 45 HH TYR 45 20.632 -19.117 -15.330 403 H ARG 46 H ARG 46 17.753 -14.643 -9.825 404 HA ARG 46 HA ARG 46 16.473 -15.772 -12.038 405 1HB ARG 46 2HB ARG 46 15.503 -15.940 -9.835 406 2HB ARG 46 3HB ARG 46 15.348 -14.192 -9.723 407 1HG ARG 46 2HG ARG 46 13.981 -15.532 -11.981 408 2HG ARG 46 3HG ARG 46 13.316 -15.772 -10.364 409 1HD ARG 46 2HD ARG 46 13.681 -13.124 -10.288 410 2HD ARG 46 3HD ARG 46 13.454 -13.325 -12.025 411 HE ARG 46 HE ARG 46 11.432 -14.709 -10.631 412 1HH1 ARG 46 2HH1 ARG 46 12.463 -11.478 -11.416 413 2HH1 ARG 46 1HH1 ARG 46 10.867 -10.811 -11.349 414 1HH2 ARG 46 2HH2 ARG 46 9.323 -13.842 -10.539 415 2HH2 ARG 46 1HH2 ARG 46 9.081 -12.157 -10.848 416 H ARG 47 H ARG 47 16.676 -12.395 -10.975 417 HA ARG 47 HA ARG 47 14.969 -11.248 -12.843 418 1HB ARG 47 2HB ARG 47 16.494 -10.285 -10.824 419 2HB ARG 47 3HB ARG 47 17.420 -9.722 -12.209 420 1HG ARG 47 2HG ARG 47 16.054 -7.956 -12.123 421 2HG ARG 47 3HG ARG 47 14.903 -9.017 -12.939 422 1HD ARG 47 2HD ARG 47 13.532 -8.956 -11.190 423 2HD ARG 47 3HD ARG 47 14.823 -9.481 -10.111 424 HE ARG 47 HE ARG 47 15.356 -6.861 -10.443 425 1HH1 ARG 47 2HH1 ARG 47 12.466 -8.598 -9.578 426 2HH1 ARG 47 1HH1 ARG 47 11.828 -7.313 -8.606 427 1HH2 ARG 47 2HH2 ARG 47 14.527 -5.162 -9.166 428 2HH2 ARG 47 1HH2 ARG 47 13.000 -5.359 -8.373 429 H MET 48 H MET 48 18.372 -12.135 -13.129 430 HA MET 48 HA MET 48 18.272 -11.399 -15.979 431 1HB MET 48 2HB MET 48 20.010 -10.338 -14.396 432 2HB MET 48 3HB MET 48 20.802 -11.906 -14.436 433 1HG MET 48 2HG MET 48 21.917 -10.823 -16.102 434 2HG MET 48 3HG MET 48 20.630 -11.599 -17.022 435 1HE MET 48 1HE MET 48 19.138 -10.777 -18.271 436 2HE MET 48 2HE MET 48 18.074 -9.539 -17.604 437 3HE MET 48 3HE MET 48 19.139 -9.150 -18.956 438 H LEU 49 H LEU 49 17.165 -13.834 -14.973 439 HA LEU 49 HA LEU 49 19.020 -15.973 -15.415 440 1HB LEU 49 2HB LEU 49 17.266 -17.417 -14.942 441 2HB LEU 49 3HB LEU 49 16.902 -15.988 -13.977 442 HG LEU 49 HG LEU 49 15.451 -15.396 -16.136 443 1HD1 LEU 49 1HD1 LEU 49 15.823 -17.211 -17.525 444 2HD1 LEU 49 2HD1 LEU 49 14.311 -17.641 -16.724 445 3HD1 LEU 49 3HD1 LEU 49 15.828 -18.364 -16.190 446 1HD2 LEU 49 1HD2 LEU 49 14.960 -16.655 -13.569 447 2HD2 LEU 49 2HD2 LEU 49 13.745 -17.095 -14.770 448 3HD2 LEU 49 3HD2 LEU 49 14.050 -15.396 -14.404 449 H LYS 50 H LYS 50 17.153 -13.963 -17.428 450 HA LYS 50 HA LYS 50 17.011 -15.870 -19.618 451 1HB LYS 50 2HB LYS 50 16.265 -12.941 -19.609 452 2HB LYS 50 3HB LYS 50 15.822 -14.138 -20.819 453 1HG LYS 50 2HG LYS 50 14.998 -14.478 -17.964 454 2HG LYS 50 3HG LYS 50 14.082 -13.440 -19.058 455 1HD LYS 50 2HD LYS 50 14.771 -16.194 -19.955 456 2HD LYS 50 3HD LYS 50 13.486 -15.995 -18.763 457 1HE LYS 50 2HE LYS 50 12.202 -14.659 -20.227 458 2HE LYS 50 3HE LYS 50 13.557 -14.435 -21.332 459 1HZ LYS 50 1HZ LYS 50 12.933 -17.193 -20.975 460 2HZ LYS 50 2HZ LYS 50 13.039 -16.292 -22.404 461 3HZ LYS 50 3HZ LYS 50 11.589 -16.328 -21.532 462 H ARG 51 H ARG 51 17.740 -15.066 -21.821 463 HA ARG 51 HA ARG 51 20.409 -13.847 -21.551 464 1HB ARG 51 2HB ARG 51 19.529 -15.652 -23.798 465 2HB ARG 51 3HB ARG 51 21.166 -15.182 -23.362 466 1HG ARG 51 2HG ARG 51 19.344 -16.970 -21.767 467 2HG ARG 51 3HG ARG 51 20.739 -17.474 -22.723 468 1HD ARG 51 2HD ARG 51 22.078 -15.860 -21.237 469 2HD ARG 51 3HD ARG 51 20.673 -15.894 -20.173 470 HE ARG 51 HE ARG 51 21.267 -18.006 -19.514 471 1HH1 ARG 51 2HH1 ARG 51 23.007 -17.180 -22.415 472 2HH1 ARG 51 1HH1 ARG 51 24.025 -18.581 -22.358 473 1HH2 ARG 51 2HH2 ARG 51 22.601 -19.853 -19.429 474 2HH2 ARG 51 1HH2 ARG 51 23.792 -20.101 -20.661 475 H ALA 52 H ALA 52 17.359 -13.754 -23.203 476 HA ALA 52 HA ALA 52 18.329 -11.660 -25.015 477 1HB ALA 52 1HB ALA 52 15.861 -12.000 -25.893 478 2HB ALA 52 2HB ALA 52 17.165 -13.095 -26.356 479 3HB ALA 52 3HB ALA 52 16.039 -13.555 -25.078 480 H LEU 53 H LEU 53 18.036 -9.614 -24.454 481 HA LEU 53 HA LEU 53 15.554 -8.720 -23.293 482 1HB LEU 53 2HB LEU 53 16.512 -9.278 -21.240 483 2HB LEU 53 3HB LEU 53 18.116 -8.746 -21.740 484 HG LEU 53 HG LEU 53 17.305 -6.400 -21.655 485 1HD1 LEU 53 1HD1 LEU 53 15.210 -5.887 -20.575 486 2HD1 LEU 53 2HD1 LEU 53 14.860 -7.602 -20.364 487 3HD1 LEU 53 3HD1 LEU 53 14.913 -6.906 -21.983 488 1HD2 LEU 53 1HD2 LEU 53 18.529 -7.090 -19.782 489 2HD2 LEU 53 2HD2 LEU 53 17.228 -8.132 -19.204 490 3HD2 LEU 53 3HD2 LEU 53 17.061 -6.378 -19.112 491 H LYS 54 H LYS 54 15.098 -6.688 -23.913 492 HA LYS 54 HA LYS 54 17.214 -5.204 -25.311 493 1HB LYS 54 2HB LYS 54 15.257 -3.959 -26.337 494 2HB LYS 54 3HB LYS 54 15.426 -5.647 -26.800 495 1HG LYS 54 2HG LYS 54 13.681 -5.031 -24.485 496 2HG LYS 54 3HG LYS 54 13.101 -4.596 -26.096 497 1HD LYS 54 2HD LYS 54 14.240 -7.316 -25.695 498 2HD LYS 54 3HD LYS 54 12.634 -6.980 -25.045 499 1HE LYS 54 2HE LYS 54 11.760 -6.490 -27.169 500 2HE LYS 54 3HE LYS 54 13.363 -6.322 -27.883 501 1HZ LYS 54 1HZ LYS 54 12.358 -8.889 -26.800 502 2HZ LYS 54 2HZ LYS 54 13.700 -8.637 -27.797 503 3HZ LYS 54 3HZ LYS 54 12.139 -8.432 -28.414 504 H ASN 55 H ASN 55 14.897 -5.048 -22.722 505 HA ASN 55 HA ASN 55 15.200 -2.214 -22.299 506 1HB ASN 55 2HB ASN 55 13.865 -4.398 -20.694 507 2HB ASN 55 3HB ASN 55 13.907 -2.714 -20.178 508 1HD2 ASN 55 1HD2 ASN 55 11.934 -4.862 -21.436 509 2HD2 ASN 55 2HD2 ASN 55 10.978 -3.875 -22.483 510 H LYS 56 H LYS 56 17.092 -1.469 -21.594 511 HA LYS 56 HA LYS 56 18.617 -3.038 -19.642 512 1HB LYS 56 2HB LYS 56 20.533 -1.793 -20.278 513 2HB LYS 56 3HB LYS 56 19.695 -2.191 -21.771 514 1HG LYS 56 2HG LYS 56 18.587 0.176 -21.348 515 2HG LYS 56 3HG LYS 56 20.085 0.434 -20.452 516 1HD LYS 56 2HD LYS 56 20.663 1.151 -22.572 517 2HD LYS 56 3HD LYS 56 21.215 -0.525 -22.592 518 1HE LYS 56 2HE LYS 56 20.074 -0.180 -24.634 519 2HE LYS 56 3HE LYS 56 18.985 -1.118 -23.614 520 1HZ LYS 56 1HZ LYS 56 17.526 0.575 -23.458 521 2HZ LYS 56 2HZ LYS 56 18.226 1.052 -24.920 522 3HZ LYS 56 3HZ LYS 56 18.717 1.775 -23.473 523 H ASN 57 H ASN 57 19.480 -2.042 -17.755 524 HA ASN 57 HA ASN 57 18.581 0.587 -16.985 525 1HB ASN 57 2HB ASN 57 17.558 -0.485 -14.819 526 2HB ASN 57 3HB ASN 57 16.585 -0.354 -16.281 527 1HD2 ASN 57 1HD2 ASN 57 15.308 -2.067 -16.276 528 2HD2 ASN 57 2HD2 ASN 57 15.823 -3.705 -16.087 529 H LYS 58 H LYS 58 20.484 1.337 -16.304 530 HA LYS 58 HA LYS 58 22.251 -0.379 -14.735 531 1HB LYS 58 2HB LYS 58 22.587 2.168 -16.259 532 2HB LYS 58 3HB LYS 58 23.709 1.815 -14.951 533 1HG LYS 58 2HG LYS 58 23.208 -0.301 -16.973 534 2HG LYS 58 3HG LYS 58 24.198 1.086 -17.435 535 1HD LYS 58 2HD LYS 58 25.823 -0.295 -16.611 536 2HD LYS 58 3HD LYS 58 25.383 0.561 -15.132 537 1HE LYS 58 2HE LYS 58 24.255 -1.249 -14.262 538 2HE LYS 58 3HE LYS 58 23.934 -1.945 -15.849 539 1HZ LYS 58 1HZ LYS 58 26.469 -2.260 -15.924 540 2HZ LYS 58 2HZ LYS 58 25.551 -3.325 -14.985 541 3HZ LYS 58 3HZ LYS 58 26.403 -2.064 -14.245 542 H ALA 59 H ALA 59 20.655 2.785 -14.517 543 HA ALA 59 HA ALA 59 20.703 2.531 -11.597 544 1HB ALA 59 1HB ALA 59 22.534 4.104 -12.734 545 2HB ALA 59 2HB ALA 59 21.193 5.248 -12.663 546 3HB ALA 59 3HB ALA 59 21.778 4.483 -11.186 547 H GLU 60 H GLU 60 19.134 3.912 -10.516 548 HA GLU 60 HA GLU 60 16.811 4.440 -12.244 549 1HB GLU 60 2HB GLU 60 15.445 4.167 -10.214 550 2HB GLU 60 3HB GLU 60 16.402 2.734 -10.558 551 1HG GLU 60 2HG GLU 60 17.485 4.778 -8.686 552 2HG GLU 60 3HG GLU 60 16.223 3.682 -8.130 Start of MODEL 14 1 1H GLY -2 H GLY -3 16.895 -4.659 10.357 2 1HA GLY -2 2HA GLY -3 17.763 -2.464 8.921 3 2HA GLY -2 3HA GLY -3 18.622 -3.144 10.295 4 H SER -1 H SER -2 18.095 -5.021 7.414 5 HA SER -1 HA SER -2 20.959 -4.742 6.770 6 1HB SER -1 2HB SER -2 19.296 -7.194 6.194 7 2HB SER -1 3HB SER -2 21.054 -7.042 6.179 8 HG SER -1 HG SER -2 19.309 -7.045 8.406 9 H HIS 0 H HIS -1 21.459 -5.359 4.459 10 HA HIS 0 HA HIS -1 19.700 -3.849 2.726 11 1HB HIS 0 2HB HIS -1 22.334 -5.210 2.125 12 2HB HIS 0 3HB HIS -1 21.483 -4.101 1.055 13 HD1 HIS 0 1HD HIS -1 21.442 -1.574 1.768 14 HD2 HIS 0 2HD HIS -1 23.849 -4.021 4.111 15 HE1 HIS 0 1HE HIS -1 22.908 -0.013 3.087 16 H MET 1 H MET 1 20.739 -7.178 3.162 17 HA MET 1 HA MET 1 19.710 -8.257 0.788 18 1HB MET 1 2HB MET 1 21.207 -9.315 2.654 19 2HB MET 1 3HB MET 1 19.670 -9.803 3.355 20 1HG MET 1 2HG MET 1 20.399 -11.626 2.076 21 2HG MET 1 3HG MET 1 19.129 -10.855 1.129 22 1HE MET 1 1HE MET 1 19.273 -11.438 -0.861 23 2HE MET 1 2HE MET 1 19.973 -10.136 -1.825 24 3HE MET 1 3HE MET 1 20.684 -11.750 -1.874 25 H VAL 2 H VAL 2 18.177 -7.410 3.813 26 HA VAL 2 HA VAL 2 15.609 -8.412 2.771 27 HB VAL 2 HB VAL 2 14.831 -8.231 5.165 28 1HG1 VAL 2 1HG1 VAL 2 15.471 -10.394 5.637 29 2HG1 VAL 2 2HG1 VAL 2 15.766 -10.315 3.899 30 3HG1 VAL 2 3HG1 VAL 2 17.109 -10.155 5.030 31 1HG2 VAL 2 1HG2 VAL 2 17.210 -6.892 5.528 32 2HG2 VAL 2 2HG2 VAL 2 16.166 -7.512 6.808 33 3HG2 VAL 2 3HG2 VAL 2 17.527 -8.475 6.237 34 H GLU 3 H GLU 3 13.707 -7.111 3.206 35 HA GLU 3 HA GLU 3 14.228 -4.273 3.717 36 1HB GLU 3 2HB GLU 3 12.823 -3.629 1.792 37 2HB GLU 3 3HB GLU 3 14.280 -4.481 1.300 38 1HG GLU 3 2HG GLU 3 11.713 -5.963 1.669 39 2HG GLU 3 3HG GLU 3 12.028 -5.065 0.185 40 H MET 4 H MET 4 12.451 -3.104 4.503 41 HA MET 4 HA MET 4 10.389 -4.784 5.706 42 1HB MET 4 2HB MET 4 11.462 -2.046 6.260 43 2HB MET 4 3HB MET 4 9.859 -2.476 6.839 44 1HG MET 4 2HG MET 4 11.043 -4.549 7.834 45 2HG MET 4 3HG MET 4 12.511 -3.600 7.616 46 1HE MET 4 1HE MET 4 12.628 -2.672 11.126 47 2HE MET 4 2HE MET 4 13.269 -3.557 9.742 48 3HE MET 4 3HE MET 4 13.270 -1.792 9.739 49 H ARG 5 H ARG 5 8.149 -3.900 5.806 50 HA ARG 5 HA ARG 5 7.185 -3.406 3.183 51 1HB ARG 5 2HB ARG 5 4.969 -3.165 4.316 52 2HB ARG 5 3HB ARG 5 5.816 -4.656 4.705 53 1HG ARG 5 2HG ARG 5 5.349 -4.152 6.824 54 2HG ARG 5 3HG ARG 5 6.663 -2.982 6.691 55 1HD ARG 5 2HD ARG 5 5.032 -1.580 7.420 56 2HD ARG 5 3HD ARG 5 4.703 -1.490 5.690 57 HE ARG 5 HE ARG 5 2.738 -2.640 6.026 58 1HH1 ARG 5 2HH1 ARG 5 4.678 -2.747 8.915 59 2HH1 ARG 5 1HH1 ARG 5 3.412 -3.404 9.897 60 1HH2 ARG 5 2HH2 ARG 5 1.062 -3.505 7.310 61 2HH2 ARG 5 1HH2 ARG 5 1.355 -3.836 8.983 62 H MET 6 H MET 6 7.066 -1.542 2.136 63 HA MET 6 HA MET 6 6.339 0.895 3.517 64 1HB MET 6 2HB MET 6 9.034 0.526 2.218 65 2HB MET 6 3HB MET 6 8.320 2.114 2.468 66 1HG MET 6 2HG MET 6 8.226 1.675 4.880 67 2HG MET 6 3HG MET 6 8.985 0.108 4.610 68 1HE MET 6 1HE MET 6 10.650 4.068 5.319 69 2HE MET 6 2HE MET 6 10.289 4.140 3.594 70 3HE MET 6 3HE MET 6 9.025 3.695 4.741 71 H LYS 7 H LYS 7 5.775 2.623 2.065 72 HA LYS 7 HA LYS 7 5.144 1.653 -0.645 73 1HB LYS 7 2HB LYS 7 3.352 3.509 -0.508 74 2HB LYS 7 3HB LYS 7 3.078 2.013 0.375 75 1HG LYS 7 2HG LYS 7 4.436 4.206 1.826 76 2HG LYS 7 3HG LYS 7 2.721 4.411 1.462 77 1HD LYS 7 2HD LYS 7 3.913 2.016 2.858 78 2HD LYS 7 3HD LYS 7 3.135 3.373 3.674 79 1HE LYS 7 2HE LYS 7 1.120 2.852 2.164 80 2HE LYS 7 3HE LYS 7 1.916 1.306 1.872 81 1HZ LYS 7 1HZ LYS 7 0.240 1.383 3.738 82 2HZ LYS 7 2HZ LYS 7 1.365 2.303 4.604 83 3HZ LYS 7 3HZ LYS 7 1.751 0.727 4.122 84 H LYS 8 H LYS 8 4.791 3.561 -2.213 85 HA LYS 8 HA LYS 8 6.580 5.806 -1.723 86 1HB LYS 8 2HB LYS 8 7.955 3.945 -2.715 87 2HB LYS 8 3HB LYS 8 6.943 4.044 -4.151 88 1HG LYS 8 2HG LYS 8 7.621 6.485 -4.282 89 2HG LYS 8 3HG LYS 8 8.848 6.097 -3.074 90 1HD LYS 8 2HD LYS 8 9.914 5.912 -5.178 91 2HD LYS 8 3HD LYS 8 9.617 4.259 -4.633 92 1HE LYS 8 2HE LYS 8 7.333 4.799 -6.012 93 2HE LYS 8 3HE LYS 8 8.520 5.725 -6.929 94 1HZ LYS 8 1HZ LYS 8 9.354 3.873 -7.790 95 2HZ LYS 8 2HZ LYS 8 8.027 3.043 -7.151 96 3HZ LYS 8 3HZ LYS 8 9.475 3.117 -6.282 97 H CYS 9 H CYS 9 6.199 7.592 -3.061 98 HA CYS 9 HA CYS 9 3.533 7.789 -4.058 99 1HB CYS 9 2HB CYS 9 4.747 9.675 -2.980 100 2HB CYS 9 3HB CYS 9 5.818 9.746 -4.374 101 HA PRO 10 HA PRO 10 4.520 6.244 -8.125 102 1HB PRO 10 2HB PRO 10 2.005 6.487 -9.117 103 2HB PRO 10 3HB PRO 10 2.491 5.170 -8.045 104 1HG PRO 10 2HG PRO 10 1.029 7.699 -7.394 105 2HG PRO 10 3HG PRO 10 0.716 6.048 -6.827 106 1HD PRO 10 2HD PRO 10 2.020 7.884 -5.322 107 2HD PRO 10 3HD PRO 10 2.377 6.147 -5.233 108 H LYS 11 H LYS 11 3.660 9.356 -7.175 109 HA LYS 11 HA LYS 11 3.628 10.414 -9.904 110 1HB LYS 11 2HB LYS 11 2.550 11.268 -7.342 111 2HB LYS 11 3HB LYS 11 3.442 12.560 -8.136 112 1HG LYS 11 2HG LYS 11 1.092 12.650 -8.716 113 2HG LYS 11 3HG LYS 11 2.069 12.280 -10.138 114 1HD LYS 11 2HD LYS 11 1.350 10.078 -10.218 115 2HD LYS 11 3HD LYS 11 0.882 10.064 -8.516 116 1HE LYS 11 2HE LYS 11 -0.516 11.588 -10.713 117 2HE LYS 11 3HE LYS 11 -1.067 10.068 -10.011 118 1HZ LYS 11 1HZ LYS 11 -1.099 12.762 -8.870 119 2HZ LYS 11 2HZ LYS 11 -0.876 11.461 -7.811 120 3HZ LYS 11 3HZ LYS 11 -2.262 11.537 -8.778 121 H CYS 12 H CYS 12 5.391 10.805 -6.844 122 HA CYS 12 HA CYS 12 7.518 12.212 -8.297 123 1HB CYS 12 2HB CYS 12 7.319 11.918 -5.304 124 2HB CYS 12 3HB CYS 12 8.236 13.106 -6.223 125 H GLY 13 H GLY 13 7.184 9.737 -5.744 126 1HA GLY 13 2HA GLY 13 8.263 7.560 -6.169 127 2HA GLY 13 3HA GLY 13 9.613 8.459 -6.844 128 H LEU 14 H LEU 14 7.939 9.479 -3.950 129 HA LEU 14 HA LEU 14 10.421 9.123 -2.450 130 1HB LEU 14 2HB LEU 14 9.720 11.268 -2.083 131 2HB LEU 14 3HB LEU 14 8.013 10.841 -2.184 132 HG LEU 14 HG LEU 14 8.183 9.829 0.075 133 1HD1 LEU 14 1HD1 LEU 14 10.820 11.203 0.390 134 2HD1 LEU 14 2HD1 LEU 14 10.740 9.546 -0.206 135 3HD1 LEU 14 3HD1 LEU 14 10.087 9.942 1.384 136 1HD2 LEU 14 1HD2 LEU 14 8.113 11.891 1.262 137 2HD2 LEU 14 2HD2 LEU 14 7.458 12.192 -0.348 138 3HD2 LEU 14 3HD2 LEU 14 9.102 12.697 0.044 139 H TYR 15 H TYR 15 10.663 7.675 -0.860 140 HA TYR 15 HA TYR 15 8.563 5.749 -0.410 141 1HB TYR 15 2HB TYR 15 11.436 5.867 -0.057 142 2HB TYR 15 3HB TYR 15 10.650 5.212 1.374 143 HD1 TYR 15 1HD TYR 15 10.918 4.792 -2.308 144 HD2 TYR 15 2HD TYR 15 9.889 2.992 1.408 145 HE1 TYR 15 1HE TYR 15 10.716 2.610 -3.427 146 HE2 TYR 15 2HE TYR 15 9.684 0.806 0.299 147 HH TYR 15 HH TYR 15 10.019 -0.339 -1.591 148 H THR 16 H THR 16 7.632 5.233 1.597 149 HA THR 16 HA THR 16 8.137 6.594 4.006 150 HB THR 16 HB THR 16 7.195 8.521 2.747 151 HG1 THR 16 1HG THR 16 6.420 9.132 4.615 152 1HG2 THR 16 1HG2 THR 16 5.596 7.069 1.410 153 2HG2 THR 16 2HG2 THR 16 4.937 8.580 2.038 154 3HG2 THR 16 3HG2 THR 16 4.567 7.055 2.841 155 H LEU 17 H LEU 17 5.976 6.468 5.441 156 HA LEU 17 HA LEU 17 4.640 3.915 4.854 157 1HB LEU 17 2HB LEU 17 6.051 4.744 7.367 158 2HB LEU 17 3HB LEU 17 4.765 3.539 7.394 159 HG LEU 17 HG LEU 17 7.010 3.100 5.501 160 1HD1 LEU 17 1HD1 LEU 17 7.528 2.032 8.168 161 2HD1 LEU 17 2HD1 LEU 17 7.660 3.787 8.067 162 3HD1 LEU 17 3HD1 LEU 17 8.630 2.769 7.004 163 1HD2 LEU 17 1HD2 LEU 17 5.642 1.312 5.351 164 2HD2 LEU 17 2HD2 LEU 17 4.972 1.550 6.966 165 3HD2 LEU 17 3HD2 LEU 17 6.544 0.773 6.768 166 H LYS 18 H LYS 18 4.222 7.087 5.270 167 HA LYS 18 HA LYS 18 1.938 7.038 7.048 168 1HB LYS 18 2HB LYS 18 3.222 9.213 5.399 169 2HB LYS 18 3HB LYS 18 1.756 9.470 6.334 170 1HG LYS 18 2HG LYS 18 3.978 8.269 7.826 171 2HG LYS 18 3HG LYS 18 4.260 9.914 7.250 172 1HD LYS 18 2HD LYS 18 2.530 10.790 8.507 173 2HD LYS 18 3HD LYS 18 1.687 9.244 8.614 174 1HE LYS 18 2HE LYS 18 3.390 8.404 10.137 175 2HE LYS 18 3HE LYS 18 4.284 9.916 9.993 176 1HZ LYS 18 1HZ LYS 18 1.753 10.661 10.728 177 2HZ LYS 18 2HZ LYS 18 3.115 10.611 11.729 178 3HZ LYS 18 3HZ LYS 18 2.064 9.286 11.664 179 H GLU 19 H GLU 19 2.344 5.981 4.018 180 HA GLU 19 HA GLU 19 0.956 5.513 2.275 181 1HB GLU 19 2HB GLU 19 -1.192 6.273 4.263 182 2HB GLU 19 3HB GLU 19 -1.472 5.454 2.733 183 1HG GLU 19 2HG GLU 19 0.480 3.958 4.092 184 2HG GLU 19 3HG GLU 19 -0.771 4.352 5.271 185 H ILE 20 H ILE 20 1.747 8.414 3.103 186 HA ILE 20 HA ILE 20 0.251 9.665 0.927 187 HB ILE 20 HB ILE 20 0.525 10.948 3.649 188 1HG1 ILE 20 2HG1 ILE 20 -1.202 9.145 3.496 189 2HG1 ILE 20 3HG1 ILE 20 -1.872 10.738 3.833 190 1HG2 ILE 20 1HG2 ILE 20 -0.498 11.939 1.010 191 2HG2 ILE 20 2HG2 ILE 20 -1.042 12.643 2.532 192 3HG2 ILE 20 3HG2 ILE 20 0.667 12.689 2.101 193 1HD1 ILE 20 1HD1 ILE 20 -3.177 10.606 2.057 194 2HD1 ILE 20 2HD1 ILE 20 -1.792 10.297 1.007 195 3HD1 ILE 20 3HD1 ILE 20 -2.609 8.955 1.809 196 H CYS 21 H CYS 21 1.352 11.302 -0.135 197 HA CYS 21 HA CYS 21 4.221 11.351 0.355 198 1HB CYS 21 2HB CYS 21 3.472 10.968 -1.932 199 2HB CYS 21 3HB CYS 21 2.563 12.475 -1.912 200 HA PRO 22 HA PRO 22 3.678 15.198 2.579 201 1HB PRO 22 2HB PRO 22 6.285 15.433 3.299 202 2HB PRO 22 3HB PRO 22 5.153 14.353 4.123 203 1HG PRO 22 2HG PRO 22 7.191 13.718 2.023 204 2HG PRO 22 3HG PRO 22 6.795 12.825 3.503 205 1HD PRO 22 2HD PRO 22 5.875 12.087 1.066 206 2HD PRO 22 3HD PRO 22 4.945 11.828 2.556 207 H LYS 23 H LYS 23 5.373 14.539 -0.277 208 HA LYS 23 HA LYS 23 6.565 17.144 -0.599 209 1HB LYS 23 2HB LYS 23 7.021 14.675 -1.721 210 2HB LYS 23 3HB LYS 23 6.196 15.530 -3.019 211 1HG LYS 23 2HG LYS 23 8.591 15.772 -3.235 212 2HG LYS 23 3HG LYS 23 7.848 17.333 -2.875 213 1HD LYS 23 2HD LYS 23 8.823 17.476 -0.831 214 2HD LYS 23 3HD LYS 23 8.748 15.733 -0.555 215 1HE LYS 23 2HE LYS 23 10.889 15.563 -1.111 216 2HE LYS 23 3HE LYS 23 10.516 16.180 -2.720 217 1HZ LYS 23 1HZ LYS 23 10.558 18.378 -1.055 218 2HZ LYS 23 2HZ LYS 23 11.721 17.950 -2.207 219 3HZ LYS 23 3HZ LYS 23 11.899 17.453 -0.600 220 H CYS 24 H CYS 24 4.041 15.381 -2.408 221 HA CYS 24 HA CYS 24 2.960 17.963 -3.283 222 1HB CYS 24 2HB CYS 24 1.693 16.615 -4.945 223 2HB CYS 24 3HB CYS 24 3.435 16.421 -5.087 224 H GLY 25 H GLY 25 2.029 14.936 -1.709 225 1HA GLY 25 2HA GLY 25 0.487 14.992 0.145 226 2HA GLY 25 3HA GLY 25 -0.332 16.336 -0.638 227 H GLU 26 H GLU 26 0.653 13.088 -1.728 228 HA GLU 26 HA GLU 26 -2.170 12.525 -2.327 229 1HB GLU 26 2HB GLU 26 -1.638 11.619 -4.470 230 2HB GLU 26 3HB GLU 26 -0.907 13.215 -4.386 231 1HG GLU 26 2HG GLU 26 0.779 11.979 -5.326 232 2HG GLU 26 3HG GLU 26 1.207 11.921 -3.617 233 H LYS 27 H LYS 27 -2.760 10.320 -2.298 234 HA LYS 27 HA LYS 27 -1.540 8.778 -0.303 235 1HB LYS 27 2HB LYS 27 -3.856 8.434 -0.793 236 2HB LYS 27 3HB LYS 27 -3.506 8.047 -2.473 237 1HG LYS 27 2HG LYS 27 -2.821 5.925 -1.991 238 2HG LYS 27 3HG LYS 27 -2.302 6.344 -0.357 239 1HD LYS 27 2HD LYS 27 -4.216 5.062 -0.007 240 2HD LYS 27 3HD LYS 27 -4.809 6.720 0.109 241 1HE LYS 27 2HE LYS 27 -6.357 5.507 -1.232 242 2HE LYS 27 3HE LYS 27 -5.444 6.563 -2.311 243 1HZ LYS 27 1HZ LYS 27 -4.716 4.819 -3.444 244 2HZ LYS 27 2HZ LYS 27 -5.782 3.847 -2.560 245 3HZ LYS 27 3HZ LYS 27 -4.181 4.031 -2.045 246 H THR 28 H THR 28 0.241 7.591 -0.335 247 HA THR 28 HA THR 28 1.700 7.137 -2.751 248 HB THR 28 HB THR 28 3.129 5.668 -1.138 249 HG1 THR 28 1HG THR 28 2.702 6.678 1.085 250 1HG2 THR 28 1HG2 THR 28 3.459 8.115 -1.971 251 2HG2 THR 28 2HG2 THR 28 4.405 7.528 -0.604 252 3HG2 THR 28 3HG2 THR 28 2.991 8.545 -0.326 253 H VAL 29 H VAL 29 2.533 4.955 -3.348 254 HA VAL 29 HA VAL 29 0.610 2.801 -2.811 255 HB VAL 29 HB VAL 29 0.482 2.172 -5.128 256 1HG1 VAL 29 1HG1 VAL 29 0.032 5.133 -5.191 257 2HG1 VAL 29 2HG1 VAL 29 -0.942 3.841 -5.898 258 3HG1 VAL 29 3HG1 VAL 29 -0.942 4.093 -4.151 259 1HG2 VAL 29 1HG2 VAL 29 2.438 2.611 -6.206 260 2HG2 VAL 29 2HG2 VAL 29 1.504 4.001 -6.762 261 3HG2 VAL 29 3HG2 VAL 29 2.644 4.181 -5.429 262 H ILE 30 H ILE 30 1.426 0.669 -3.198 263 HA ILE 30 HA ILE 30 4.106 0.321 -2.371 264 HB ILE 30 HB ILE 30 2.375 -1.783 -3.664 265 1HG1 ILE 30 2HG1 ILE 30 1.076 -0.734 -1.904 266 2HG1 ILE 30 3HG1 ILE 30 1.622 -2.315 -1.356 267 1HG2 ILE 30 1HG2 ILE 30 4.158 -2.441 -1.424 268 2HG2 ILE 30 2HG2 ILE 30 3.856 -3.307 -2.929 269 3HG2 ILE 30 3HG2 ILE 30 4.969 -1.939 -2.908 270 1HD1 ILE 30 1HD1 ILE 30 2.499 -1.374 0.436 271 2HD1 ILE 30 2HD1 ILE 30 3.574 -0.421 -0.588 272 3HD1 ILE 30 3HD1 ILE 30 1.992 0.215 -0.138 273 HA PRO 31 HA PRO 31 5.908 0.854 -6.439 274 1HB PRO 31 2HB PRO 31 8.480 0.699 -5.583 275 2HB PRO 31 3HB PRO 31 7.498 2.158 -5.413 276 1HG PRO 31 2HG PRO 31 8.114 0.043 -3.386 277 2HG PRO 31 3HG PRO 31 8.087 1.805 -3.192 278 1HD PRO 31 2HD PRO 31 6.043 0.220 -2.393 279 2HD PRO 31 3HD PRO 31 5.792 1.874 -2.987 280 H LYS 32 H LYS 32 7.265 -1.516 -4.139 281 HA LYS 32 HA LYS 32 7.337 -3.473 -6.340 282 1HB LYS 32 2HB LYS 32 9.461 -2.680 -4.418 283 2HB LYS 32 3HB LYS 32 9.333 -4.390 -4.807 284 1HG LYS 32 2HG LYS 32 10.260 -4.104 -6.808 285 2HG LYS 32 3HG LYS 32 9.238 -2.713 -7.173 286 1HD LYS 32 2HD LYS 32 11.595 -2.084 -7.151 287 2HD LYS 32 3HD LYS 32 10.717 -1.280 -5.849 288 1HE LYS 32 2HE LYS 32 11.635 -2.703 -4.213 289 2HE LYS 32 3HE LYS 32 12.200 -3.858 -5.420 290 1HZ LYS 32 1HZ LYS 32 13.237 -1.088 -5.242 291 2HZ LYS 32 2HZ LYS 32 13.891 -2.387 -6.105 292 3HZ LYS 32 3HZ LYS 32 13.943 -2.384 -4.415 293 HA PRO 33 HA PRO 33 5.163 -6.274 -3.756 294 1HB PRO 33 2HB PRO 33 6.323 -8.652 -4.368 295 2HB PRO 33 3HB PRO 33 5.255 -7.789 -5.482 296 1HG PRO 33 2HG PRO 33 8.247 -7.880 -5.415 297 2HG PRO 33 3HG PRO 33 7.156 -7.980 -6.809 298 1HD PRO 33 2HD PRO 33 8.451 -5.701 -6.134 299 2HD PRO 33 3HD PRO 33 6.844 -5.697 -6.889 300 HA PRO 34 HA PRO 34 7.249 -7.154 0.013 301 1HB PRO 34 2HB PRO 34 6.077 -9.465 0.823 302 2HB PRO 34 3HB PRO 34 5.244 -7.907 0.847 303 1HG PRO 34 2HG PRO 34 5.082 -10.110 -1.173 304 2HG PRO 34 3HG PRO 34 3.777 -9.130 -0.479 305 1HD PRO 34 2HD PRO 34 4.818 -8.644 -2.931 306 2HD PRO 34 3HD PRO 34 4.195 -7.352 -1.885 307 H LYS 35 H LYS 35 6.974 -9.996 -2.106 308 HA LYS 35 HA LYS 35 9.794 -10.565 -1.695 309 1HB LYS 35 2HB LYS 35 8.119 -11.845 -0.036 310 2HB LYS 35 3HB LYS 35 8.020 -12.931 -1.416 311 1HG LYS 35 2HG LYS 35 10.746 -12.155 -0.671 312 2HG LYS 35 3HG LYS 35 9.878 -13.087 0.552 313 1HD LYS 35 2HD LYS 35 9.754 -14.953 -0.763 314 2HD LYS 35 3HD LYS 35 9.746 -14.026 -2.266 315 1HE LYS 35 2HE LYS 35 11.827 -15.115 -2.223 316 2HE LYS 35 3HE LYS 35 12.167 -13.453 -1.743 317 1HZ LYS 35 1HZ LYS 35 12.593 -14.062 0.404 318 2HZ LYS 35 2HZ LYS 35 13.144 -15.442 -0.403 319 3HZ LYS 35 3HZ LYS 35 11.625 -15.448 0.341 320 H PHE 36 H PHE 36 10.702 -11.906 -3.307 321 HA PHE 36 HA PHE 36 9.707 -11.565 -5.877 322 1HB PHE 36 2HB PHE 36 11.625 -13.680 -4.877 323 2HB PHE 36 3HB PHE 36 11.386 -13.247 -6.566 324 HD1 PHE 36 1HD PHE 36 12.007 -10.954 -7.338 325 HD2 PHE 36 2HD PHE 36 13.050 -12.431 -3.485 326 HE1 PHE 36 1HE PHE 36 13.724 -9.202 -7.134 327 HE2 PHE 36 2HE PHE 36 14.767 -10.682 -3.275 328 HZ PHE 36 HZ PHE 36 15.105 -9.064 -5.100 329 H SER 37 H SER 37 10.073 -14.778 -4.393 330 HA SER 37 HA SER 37 8.823 -16.673 -4.533 331 1HB SER 37 2HB SER 37 6.363 -15.100 -5.188 332 2HB SER 37 3HB SER 37 6.554 -16.485 -4.112 333 HG SER 37 HG SER 37 6.327 -14.125 -3.289 334 H LEU 38 H LEU 38 10.157 -15.884 -6.850 335 HA LEU 38 HA LEU 38 8.379 -16.126 -9.107 336 1HB LEU 38 2HB LEU 38 11.289 -15.742 -8.693 337 2HB LEU 38 3HB LEU 38 10.779 -16.467 -10.216 338 HG LEU 38 HG LEU 38 11.138 -14.019 -10.344 339 1HD1 LEU 38 1HD1 LEU 38 8.386 -15.118 -10.853 340 2HD1 LEU 38 2HD1 LEU 38 9.726 -14.958 -11.989 341 3HD1 LEU 38 3HD1 LEU 38 8.899 -13.519 -11.393 342 1HD2 LEU 38 1HD2 LEU 38 10.068 -12.510 -9.048 343 2HD2 LEU 38 2HD2 LEU 38 9.992 -13.865 -7.921 344 3HD2 LEU 38 3HD2 LEU 38 8.600 -13.481 -8.936 345 H GLU 39 H GLU 39 10.275 -18.238 -7.127 346 HA GLU 39 HA GLU 39 9.904 -20.453 -9.016 347 1HB GLU 39 2HB GLU 39 12.166 -19.879 -7.880 348 2HB GLU 39 3HB GLU 39 11.463 -20.635 -6.456 349 1HG GLU 39 2HG GLU 39 12.841 -22.197 -7.709 350 2HG GLU 39 3HG GLU 39 11.154 -22.706 -7.683 351 H ASP 40 H ASP 40 8.839 -19.209 -5.977 352 HA ASP 40 HA ASP 40 7.922 -21.453 -4.658 353 1HB ASP 40 2HB ASP 40 6.991 -18.612 -4.772 354 2HB ASP 40 3HB ASP 40 6.008 -19.800 -3.921 355 H ARG 41 H ARG 41 6.181 -22.782 -4.802 356 HA ARG 41 HA ARG 41 4.942 -23.178 -7.276 357 1HB ARG 41 2HB ARG 41 5.209 -24.760 -5.213 358 2HB ARG 41 3HB ARG 41 3.659 -24.090 -4.725 359 1HG ARG 41 2HG ARG 41 3.972 -25.178 -7.481 360 2HG ARG 41 3HG ARG 41 3.775 -26.287 -6.122 361 1HD ARG 41 2HD ARG 41 1.757 -24.817 -5.495 362 2HD ARG 41 3HD ARG 41 1.883 -24.194 -7.139 363 HE ARG 41 HE ARG 41 1.801 -27.067 -6.970 364 1HH1 ARG 41 2HH1 ARG 41 -0.072 -24.141 -7.190 365 2HH1 ARG 41 1HH1 ARG 41 -1.459 -24.924 -7.872 366 1HH2 ARG 41 2HH2 ARG 41 -0.018 -28.110 -7.869 367 2HH2 ARG 41 1HH2 ARG 41 -1.426 -27.183 -8.258 368 H TRP 42 H TRP 42 3.922 -21.365 -4.444 369 HA TRP 42 HA TRP 42 1.360 -20.729 -5.694 370 1HB TRP 42 2HB TRP 42 2.494 -20.191 -2.950 371 2HB TRP 42 3HB TRP 42 0.967 -19.505 -3.500 372 HD1 TRP 42 1HD TRP 42 1.966 -22.122 -1.366 373 HE1 TRP 42 1HE TRP 42 0.324 -24.104 -1.349 374 HE3 TRP 42 3HE TRP 42 -0.611 -21.076 -5.655 375 HZ2 TRP 42 2HZ TRP 42 -1.784 -25.094 -2.944 376 HZ3 TRP 42 3HZ TRP 42 -2.425 -22.590 -6.340 377 HH2 TRP 42 2HH TRP 42 -2.997 -24.557 -5.012 378 H GLY 43 H GLY 43 4.103 -19.708 -6.540 379 1HA GLY 43 2HA GLY 43 4.470 -17.032 -5.942 380 2HA GLY 43 3HA GLY 43 4.897 -17.769 -7.480 381 H LYS 44 H LYS 44 2.112 -18.495 -8.072 382 HA LYS 44 HA LYS 44 1.310 -15.928 -9.168 383 1HB LYS 44 2HB LYS 44 -0.161 -17.152 -10.584 384 2HB LYS 44 3HB LYS 44 1.342 -18.063 -10.513 385 1HG LYS 44 2HG LYS 44 0.313 -19.534 -8.806 386 2HG LYS 44 3HG LYS 44 -1.208 -18.668 -9.032 387 1HD LYS 44 2HD LYS 44 -1.422 -19.424 -11.257 388 2HD LYS 44 3HD LYS 44 0.255 -19.972 -11.314 389 1HE LYS 44 2HE LYS 44 -0.212 -21.761 -9.792 390 2HE LYS 44 3HE LYS 44 -1.838 -21.148 -9.492 391 1HZ LYS 44 1HZ LYS 44 -2.132 -22.877 -10.998 392 2HZ LYS 44 2HZ LYS 44 -0.787 -22.446 -11.927 393 3HZ LYS 44 3HZ LYS 44 -2.186 -21.496 -11.975 394 H TYR 45 H TYR 45 0.383 -18.096 -6.638 395 HA TYR 45 HA TYR 45 -2.288 -17.474 -6.261 396 1HB TYR 45 2HB TYR 45 -0.937 -19.196 -5.008 397 2HB TYR 45 3HB TYR 45 -0.293 -17.883 -4.029 398 HD1 TYR 45 1HD TYR 45 -3.000 -20.184 -4.483 399 HD2 TYR 45 2HD TYR 45 -1.936 -16.478 -2.684 400 HE1 TYR 45 1HE TYR 45 -4.940 -20.362 -2.982 401 HE2 TYR 45 2HE TYR 45 -3.872 -16.647 -1.177 402 HH TYR 45 HH TYR 45 -6.081 -19.426 -1.328 403 H ARG 46 H ARG 46 0.545 -15.571 -5.610 404 HA ARG 46 HA ARG 46 -0.473 -13.744 -3.760 405 1HB ARG 46 2HB ARG 46 1.885 -13.805 -4.257 406 2HB ARG 46 3HB ARG 46 1.588 -13.379 -5.937 407 1HG ARG 46 2HG ARG 46 0.703 -11.192 -5.171 408 2HG ARG 46 3HG ARG 46 1.171 -11.627 -3.526 409 1HD ARG 46 2HD ARG 46 3.473 -11.687 -4.108 410 2HD ARG 46 3HD ARG 46 3.107 -11.593 -5.829 411 HE ARG 46 HE ARG 46 3.312 -9.412 -3.991 412 1HH1 ARG 46 2HH1 ARG 46 1.779 -10.503 -6.920 413 2HH1 ARG 46 1HH1 ARG 46 1.525 -8.904 -7.538 414 1HH2 ARG 46 2HH2 ARG 46 2.982 -7.302 -4.793 415 2HH2 ARG 46 1HH2 ARG 46 2.210 -7.084 -6.327 416 H ARG 47 H ARG 47 -0.767 -13.884 -7.261 417 HA ARG 47 HA ARG 47 -1.829 -11.314 -7.676 418 1HB ARG 47 2HB ARG 47 -1.813 -13.874 -9.201 419 2HB ARG 47 3HB ARG 47 -2.950 -12.629 -9.699 420 1HG ARG 47 2HG ARG 47 -0.890 -11.071 -9.684 421 2HG ARG 47 3HG ARG 47 0.037 -12.572 -9.715 422 1HD ARG 47 2HD ARG 47 -0.909 -13.224 -11.781 423 2HD ARG 47 3HD ARG 47 -2.159 -11.985 -11.681 424 HE ARG 47 HE ARG 47 0.122 -10.541 -11.713 425 1HH1 ARG 47 2HH1 ARG 47 -1.114 -13.085 -13.743 426 2HH1 ARG 47 1HH1 ARG 47 -0.317 -12.512 -15.169 427 1HH2 ARG 47 2HH2 ARG 47 1.177 -9.777 -13.585 428 2HH2 ARG 47 1HH2 ARG 47 0.988 -10.631 -15.079 429 H MET 48 H MET 48 -3.296 -14.331 -6.670 430 HA MET 48 HA MET 48 -5.989 -13.305 -6.925 431 1HB MET 48 2HB MET 48 -4.796 -15.894 -5.988 432 2HB MET 48 3HB MET 48 -6.483 -15.525 -5.663 433 1HG MET 48 2HG MET 48 -5.401 -15.324 -8.439 434 2HG MET 48 3HG MET 48 -5.857 -16.887 -7.763 435 1HE MET 48 1HE MET 48 -7.947 -13.316 -9.067 436 2HE MET 48 2HE MET 48 -6.522 -14.165 -9.668 437 3HE MET 48 3HE MET 48 -8.121 -14.577 -10.289 438 H LEU 49 H LEU 49 -3.528 -13.503 -4.509 439 HA LEU 49 HA LEU 49 -4.954 -13.472 -2.148 440 1HB LEU 49 2HB LEU 49 -2.431 -13.481 -2.522 441 2HB LEU 49 3HB LEU 49 -2.556 -11.725 -2.621 442 HG LEU 49 HG LEU 49 -3.571 -13.203 -0.217 443 1HD1 LEU 49 1HD1 LEU 49 -1.486 -13.959 0.114 444 2HD1 LEU 49 2HD1 LEU 49 -1.140 -12.291 0.572 445 3HD1 LEU 49 3HD1 LEU 49 -0.784 -12.849 -1.064 446 1HD2 LEU 49 1HD2 LEU 49 -2.857 -11.000 0.826 447 2HD2 LEU 49 2HD2 LEU 49 -4.248 -10.948 -0.257 448 3HD2 LEU 49 3HD2 LEU 49 -2.668 -10.399 -0.821 449 H LYS 50 H LYS 50 -3.660 -10.520 -3.674 450 HA LYS 50 HA LYS 50 -5.451 -8.836 -2.217 451 1HB LYS 50 2HB LYS 50 -3.745 -8.168 -4.623 452 2HB LYS 50 3HB LYS 50 -4.484 -7.014 -3.521 453 1HG LYS 50 2HG LYS 50 -2.943 -7.372 -1.889 454 2HG LYS 50 3HG LYS 50 -2.669 -9.051 -2.360 455 1HD LYS 50 2HD LYS 50 -1.844 -6.891 -4.238 456 2HD LYS 50 3HD LYS 50 -0.856 -7.186 -2.805 457 1HE LYS 50 2HE LYS 50 0.136 -8.597 -4.325 458 2HE LYS 50 3HE LYS 50 -1.026 -9.682 -3.565 459 1HZ LYS 50 1HZ LYS 50 -1.687 -8.186 -6.027 460 2HZ LYS 50 2HZ LYS 50 -2.444 -9.560 -5.396 461 3HZ LYS 50 3HZ LYS 50 -0.905 -9.686 -6.085 462 H ARG 51 H ARG 51 -7.466 -8.280 -2.710 463 HA ARG 51 HA ARG 51 -8.500 -8.981 -5.363 464 1HB ARG 51 2HB ARG 51 -10.073 -8.237 -2.894 465 2HB ARG 51 3HB ARG 51 -10.695 -8.953 -4.374 466 1HG ARG 51 2HG ARG 51 -9.064 -10.895 -3.809 467 2HG ARG 51 3HG ARG 51 -9.114 -10.214 -2.182 468 1HD ARG 51 2HD ARG 51 -11.769 -10.387 -3.256 469 2HD ARG 51 3HD ARG 51 -10.966 -11.952 -3.385 470 HE ARG 51 HE ARG 51 -11.007 -12.133 -1.095 471 1HH1 ARG 51 2HH1 ARG 51 -11.813 -8.877 -2.024 472 2HH1 ARG 51 1HH1 ARG 51 -12.304 -8.406 -0.430 473 1HH2 ARG 51 2HH2 ARG 51 -11.650 -11.525 1.007 474 2HH2 ARG 51 1HH2 ARG 51 -12.210 -9.912 1.292 475 H ALA 52 H ALA 52 -10.355 -7.480 -6.092 476 HA ALA 52 HA ALA 52 -11.021 -5.447 -6.873 477 1HB ALA 52 1HB ALA 52 -11.175 -5.037 -4.363 478 2HB ALA 52 2HB ALA 52 -9.644 -4.175 -4.525 479 3HB ALA 52 3HB ALA 52 -11.067 -3.617 -5.404 480 H LEU 53 H LEU 53 -8.555 -6.551 -7.782 481 HA LEU 53 HA LEU 53 -6.576 -4.484 -7.927 482 1HB LEU 53 2HB LEU 53 -6.549 -7.173 -8.314 483 2HB LEU 53 3HB LEU 53 -6.535 -6.589 -9.976 484 HG LEU 53 HG LEU 53 -4.279 -7.046 -9.150 485 1HD1 LEU 53 1HD1 LEU 53 -3.348 -5.259 -10.192 486 2HD1 LEU 53 2HD1 LEU 53 -4.325 -4.089 -9.306 487 3HD1 LEU 53 3HD1 LEU 53 -5.028 -4.984 -10.653 488 1HD2 LEU 53 1HD2 LEU 53 -3.450 -6.302 -7.199 489 2HD2 LEU 53 2HD2 LEU 53 -5.146 -6.109 -6.757 490 3HD2 LEU 53 3HD2 LEU 53 -4.227 -4.726 -7.350 491 H LYS 54 H LYS 54 -9.285 -5.508 -9.875 492 HA LYS 54 HA LYS 54 -8.529 -3.852 -12.126 493 1HB LYS 54 2HB LYS 54 -11.096 -5.360 -11.595 494 2HB LYS 54 3HB LYS 54 -10.637 -4.614 -13.120 495 1HG LYS 54 2HG LYS 54 -8.614 -6.145 -13.091 496 2HG LYS 54 3HG LYS 54 -9.423 -7.009 -11.782 497 1HD LYS 54 2HD LYS 54 -11.312 -7.486 -13.207 498 2HD LYS 54 3HD LYS 54 -10.624 -6.506 -14.503 499 1HE LYS 54 2HE LYS 54 -8.638 -8.079 -14.446 500 2HE LYS 54 3HE LYS 54 -9.614 -9.121 -13.413 501 1HZ LYS 54 1HZ LYS 54 -10.918 -8.251 -15.843 502 2HZ LYS 54 2HZ LYS 54 -10.869 -9.783 -15.129 503 3HZ LYS 54 3HZ LYS 54 -9.578 -9.254 -16.086 504 H ASN 55 H ASN 55 -9.018 -1.774 -12.348 505 HA ASN 55 HA ASN 55 -11.483 -0.666 -11.390 506 1HB ASN 55 2HB ASN 55 -10.475 1.005 -9.888 507 2HB ASN 55 3HB ASN 55 -10.210 -0.634 -9.301 508 1HD2 ASN 55 1HD2 ASN 55 -8.238 -1.091 -8.665 509 2HD2 ASN 55 2HD2 ASN 55 -6.795 -0.275 -9.151 510 H LYS 56 H LYS 56 -11.692 1.643 -11.951 511 HA LYS 56 HA LYS 56 -10.858 2.151 -14.575 512 1HB LYS 56 2HB LYS 56 -12.624 3.312 -12.742 513 2HB LYS 56 3HB LYS 56 -11.477 4.587 -13.133 514 1HG LYS 56 2HG LYS 56 -12.029 4.541 -15.409 515 2HG LYS 56 3HG LYS 56 -12.840 2.980 -15.267 516 1HD LYS 56 2HD LYS 56 -13.940 5.104 -13.559 517 2HD LYS 56 3HD LYS 56 -14.106 5.388 -15.294 518 1HE LYS 56 2HE LYS 56 -14.905 2.871 -15.270 519 2HE LYS 56 3HE LYS 56 -15.283 3.250 -13.590 520 1HZ LYS 56 1HZ LYS 56 -16.477 4.302 -16.047 521 2HZ LYS 56 2HZ LYS 56 -16.395 5.328 -14.706 522 3HZ LYS 56 3HZ LYS 56 -17.219 3.854 -14.594 523 H ASN 57 H ASN 57 -9.703 4.246 -15.207 524 HA ASN 57 HA ASN 57 -7.430 4.806 -13.438 525 1HB ASN 57 2HB ASN 57 -5.895 4.698 -15.393 526 2HB ASN 57 3HB ASN 57 -6.607 3.138 -14.991 527 1HD2 ASN 57 1HD2 ASN 57 -5.908 2.670 -17.213 528 2HD2 ASN 57 2HD2 ASN 57 -6.989 3.051 -18.506 529 H LYS 58 H LYS 58 -6.174 6.736 -14.200 530 HA LYS 58 HA LYS 58 -7.884 8.942 -14.521 531 1HB LYS 58 2HB LYS 58 -4.911 8.838 -15.058 532 2HB LYS 58 3HB LYS 58 -5.862 10.276 -14.709 533 1HG LYS 58 2HG LYS 58 -6.423 9.155 -12.486 534 2HG LYS 58 3HG LYS 58 -5.106 8.041 -12.861 535 1HD LYS 58 2HD LYS 58 -4.013 9.655 -11.627 536 2HD LYS 58 3HD LYS 58 -3.749 10.231 -13.274 537 1HE LYS 58 2HE LYS 58 -4.403 12.125 -12.035 538 2HE LYS 58 3HE LYS 58 -5.826 11.648 -12.961 539 1HZ LYS 58 1HZ LYS 58 -5.666 10.420 -10.364 540 2HZ LYS 58 2HZ LYS 58 -6.966 11.203 -11.111 541 3HZ LYS 58 3HZ LYS 58 -5.786 12.107 -10.302 542 H ALA 59 H ALA 59 -8.010 10.464 -16.265 543 HA ALA 59 HA ALA 59 -8.348 9.215 -18.804 544 1HB ALA 59 1HB ALA 59 -8.874 11.547 -19.568 545 2HB ALA 59 2HB ALA 59 -9.851 10.961 -18.222 546 3HB ALA 59 3HB ALA 59 -8.527 12.088 -17.927 547 H GLU 60 H GLU 60 -5.928 11.369 -17.413 548 HA GLU 60 HA GLU 60 -4.508 11.694 -19.893 549 1HB GLU 60 2HB GLU 60 -3.786 12.389 -17.043 550 2HB GLU 60 3HB GLU 60 -2.773 12.768 -18.430 551 1HG GLU 60 2HG GLU 60 -3.936 14.736 -18.004 552 2HG GLU 60 3HG GLU 60 -4.798 14.006 -19.357 Start of MODEL 15 1 1H GLY -2 H GLY -3 13.350 7.738 6.201 2 1HA GLY -2 2HA GLY -3 15.420 7.040 7.865 3 2HA GLY -2 3HA GLY -3 14.474 8.509 8.055 4 H SER -1 H SER -2 14.830 5.170 9.060 5 HA SER -1 HA SER -2 13.427 5.832 11.545 6 1HB SER -1 2HB SER -2 12.725 3.633 9.635 7 2HB SER -1 3HB SER -2 12.486 3.384 11.364 8 HG SER -1 HG SER -2 10.613 4.256 10.621 9 H HIS 0 H HIS -1 14.340 4.985 13.340 10 HA HIS 0 HA HIS -1 16.955 4.079 13.335 11 1HB HIS 0 2HB HIS -1 15.470 4.970 15.279 12 2HB HIS 0 3HB HIS -1 15.059 3.274 15.519 13 HD1 HIS 0 1HD HIS -1 17.015 1.685 16.259 14 HD2 HIS 0 2HD HIS -1 17.975 5.726 16.171 15 HE1 HIS 0 1HE HIS -1 19.165 1.894 17.547 16 H MET 1 H MET 1 13.951 2.223 13.349 17 HA MET 1 HA MET 1 15.356 -0.301 13.491 18 1HB MET 1 2HB MET 1 12.964 0.338 14.394 19 2HB MET 1 3HB MET 1 12.464 -0.091 12.764 20 1HG MET 1 2HG MET 1 13.656 -2.289 13.116 21 2HG MET 1 3HG MET 1 13.781 -1.839 14.815 22 1HE MET 1 1HE MET 1 12.908 -4.221 14.706 23 2HE MET 1 2HE MET 1 11.243 -4.465 15.234 24 3HE MET 1 3HE MET 1 11.659 -4.623 13.527 25 H VAL 2 H VAL 2 15.329 -1.905 11.856 26 HA VAL 2 HA VAL 2 15.908 -0.978 9.273 27 HB VAL 2 HB VAL 2 16.741 -3.121 10.191 28 1HG1 VAL 2 1HG1 VAL 2 14.154 -4.422 9.474 29 2HG1 VAL 2 2HG1 VAL 2 15.425 -4.970 10.569 30 3HG1 VAL 2 3HG1 VAL 2 14.335 -3.672 11.060 31 1HG2 VAL 2 1HG2 VAL 2 16.664 -2.591 7.734 32 2HG2 VAL 2 2HG2 VAL 2 16.729 -4.307 8.131 33 3HG2 VAL 2 3HG2 VAL 2 15.202 -3.573 7.643 34 H GLU 3 H GLU 3 14.772 -1.026 7.347 35 HA GLU 3 HA GLU 3 11.891 -0.867 7.618 36 1HB GLU 3 2HB GLU 3 13.503 -0.520 5.093 37 2HB GLU 3 3HB GLU 3 11.885 0.078 5.427 38 1HG GLU 3 2HG GLU 3 13.039 1.996 5.743 39 2HG GLU 3 3HG GLU 3 13.154 1.341 7.375 40 H MET 4 H MET 4 10.761 -2.694 7.550 41 HA MET 4 HA MET 4 11.719 -4.990 6.066 42 1HB MET 4 2HB MET 4 9.674 -6.094 7.003 43 2HB MET 4 3HB MET 4 10.772 -5.452 8.215 44 1HG MET 4 2HG MET 4 8.722 -3.550 7.406 45 2HG MET 4 3HG MET 4 8.069 -5.031 8.104 46 1HE MET 4 1HE MET 4 9.725 -5.793 10.911 47 2HE MET 4 2HE MET 4 8.417 -4.845 11.621 48 3HE MET 4 3HE MET 4 8.130 -5.788 10.158 49 H ARG 5 H ARG 5 9.333 -2.478 5.747 50 HA ARG 5 HA ARG 5 8.954 -2.940 2.997 51 1HB ARG 5 2HB ARG 5 6.434 -3.499 3.253 52 2HB ARG 5 3HB ARG 5 7.612 -4.797 3.385 53 1HG ARG 5 2HG ARG 5 5.984 -5.073 5.106 54 2HG ARG 5 3HG ARG 5 7.499 -4.568 5.856 55 1HD ARG 5 2HD ARG 5 6.664 -2.571 6.514 56 2HD ARG 5 3HD ARG 5 5.647 -2.406 5.083 57 HE ARG 5 HE ARG 5 4.770 -4.437 6.924 58 1HH1 ARG 5 2HH1 ARG 5 4.610 -1.069 6.065 59 2HH1 ARG 5 1HH1 ARG 5 3.090 -0.805 6.851 60 1HH2 ARG 5 2HH2 ARG 5 2.768 -4.104 7.966 61 2HH2 ARG 5 1HH2 ARG 5 2.043 -2.532 7.934 62 H MET 6 H MET 6 7.358 -1.471 2.045 63 HA MET 6 HA MET 6 5.939 0.432 3.561 64 1HB MET 6 2HB MET 6 7.290 2.388 3.357 65 2HB MET 6 3HB MET 6 8.298 1.139 4.075 66 1HG MET 6 2HG MET 6 8.818 0.791 1.434 67 2HG MET 6 3HG MET 6 8.551 2.530 1.513 68 1HE MET 6 1HE MET 6 9.696 3.919 3.677 69 2HE MET 6 2HE MET 6 9.523 2.571 4.801 70 3HE MET 6 3HE MET 6 11.106 3.304 4.540 71 H LYS 7 H LYS 7 5.894 2.610 1.931 72 HA LYS 7 HA LYS 7 5.296 1.529 -0.741 73 1HB LYS 7 2HB LYS 7 3.346 3.134 -0.788 74 2HB LYS 7 3HB LYS 7 3.169 1.759 0.295 75 1HG LYS 7 2HG LYS 7 4.237 3.568 1.985 76 2HG LYS 7 3HG LYS 7 3.346 4.632 0.893 77 1HD LYS 7 2HD LYS 7 2.222 2.274 2.406 78 2HD LYS 7 3HD LYS 7 1.951 3.978 2.776 79 1HE LYS 7 2HE LYS 7 0.851 4.274 0.611 80 2HE LYS 7 3HE LYS 7 1.134 2.576 0.232 81 1HZ LYS 7 1HZ LYS 7 -0.835 2.199 1.156 82 2HZ LYS 7 2HZ LYS 7 -0.931 3.757 1.808 83 3HZ LYS 7 3HZ LYS 7 -0.126 2.534 2.657 84 H LYS 8 H LYS 8 4.950 3.385 -2.349 85 HA LYS 8 HA LYS 8 6.646 5.696 -1.750 86 1HB LYS 8 2HB LYS 8 8.098 4.015 -2.816 87 2HB LYS 8 3HB LYS 8 6.995 3.931 -4.183 88 1HG LYS 8 2HG LYS 8 7.442 6.322 -4.636 89 2HG LYS 8 3HG LYS 8 8.632 6.311 -3.332 90 1HD LYS 8 2HD LYS 8 9.935 5.960 -5.222 91 2HD LYS 8 3HD LYS 8 9.672 4.321 -4.622 92 1HE LYS 8 2HE LYS 8 7.554 4.515 -6.230 93 2HE LYS 8 3HE LYS 8 8.618 5.657 -7.051 94 1HZ LYS 8 1HZ LYS 8 10.061 3.327 -6.397 95 2HZ LYS 8 2HZ LYS 8 9.735 3.976 -7.924 96 3HZ LYS 8 3HZ LYS 8 8.651 2.885 -7.219 97 H CYS 9 H CYS 9 6.237 7.530 -3.030 98 HA CYS 9 HA CYS 9 3.543 7.754 -3.940 99 1HB CYS 9 2HB CYS 9 4.768 9.612 -2.843 100 2HB CYS 9 3HB CYS 9 5.825 9.716 -4.245 101 HA PRO 10 HA PRO 10 4.438 6.320 -8.075 102 1HB PRO 10 2HB PRO 10 1.881 6.509 -8.969 103 2HB PRO 10 3HB PRO 10 2.447 5.180 -7.951 104 1HG PRO 10 2HG PRO 10 0.932 7.643 -7.180 105 2HG PRO 10 3HG PRO 10 0.691 5.969 -6.647 106 1HD PRO 10 2HD PRO 10 1.992 7.804 -5.140 107 2HD PRO 10 3HD PRO 10 2.406 6.077 -5.111 108 H LYS 11 H LYS 11 3.524 9.377 -7.008 109 HA LYS 11 HA LYS 11 3.318 10.513 -9.693 110 1HB LYS 11 2HB LYS 11 2.327 11.232 -7.091 111 2HB LYS 11 3HB LYS 11 3.266 12.563 -7.752 112 1HG LYS 11 2HG LYS 11 1.035 12.927 -8.413 113 2HG LYS 11 3HG LYS 11 1.885 12.347 -9.847 114 1HD LYS 11 2HD LYS 11 0.901 10.073 -8.490 115 2HD LYS 11 3HD LYS 11 -0.414 11.248 -8.547 116 1HE LYS 11 2HE LYS 11 -0.148 11.452 -10.957 117 2HE LYS 11 3HE LYS 11 1.214 10.334 -10.918 118 1HZ LYS 11 1HZ LYS 11 -0.186 8.644 -11.057 119 2HZ LYS 11 2HZ LYS 11 -1.485 9.721 -11.179 120 3HZ LYS 11 3HZ LYS 11 -1.005 9.142 -9.663 121 H CYS 12 H CYS 12 5.308 10.789 -6.768 122 HA CYS 12 HA CYS 12 7.325 12.233 -8.349 123 1HB CYS 12 2HB CYS 12 7.306 12.007 -5.345 124 2HB CYS 12 3HB CYS 12 8.137 13.192 -6.346 125 H GLY 13 H GLY 13 7.135 9.815 -5.726 126 1HA GLY 13 2HA GLY 13 8.210 7.631 -6.220 127 2HA GLY 13 3HA GLY 13 9.546 8.557 -6.886 128 H LEU 14 H LEU 14 7.880 9.534 -3.977 129 HA LEU 14 HA LEU 14 10.370 9.199 -2.491 130 1HB LEU 14 2HB LEU 14 9.586 11.322 -2.106 131 2HB LEU 14 3HB LEU 14 7.897 10.821 -2.149 132 HG LEU 14 HG LEU 14 8.177 9.806 0.088 133 1HD1 LEU 14 1HD1 LEU 14 10.767 11.250 0.393 134 2HD1 LEU 14 2HD1 LEU 14 10.755 9.639 -0.326 135 3HD1 LEU 14 3HD1 LEU 14 10.122 9.883 1.303 136 1HD2 LEU 14 1HD2 LEU 14 7.372 12.146 -0.264 137 2HD2 LEU 14 2HD2 LEU 14 9.019 12.699 0.041 138 3HD2 LEU 14 3HD2 LEU 14 8.123 11.860 1.308 139 H TYR 15 H TYR 15 10.661 7.735 -0.923 140 HA TYR 15 HA TYR 15 8.606 5.748 -0.494 141 1HB TYR 15 2HB TYR 15 11.495 6.010 0.251 142 2HB TYR 15 3HB TYR 15 10.490 4.831 1.084 143 HD1 TYR 15 1HD TYR 15 9.385 3.013 -0.238 144 HD2 TYR 15 2HD TYR 15 12.288 5.610 -1.947 145 HE1 TYR 15 1HE TYR 15 9.713 1.421 -2.084 146 HE2 TYR 15 2HE TYR 15 12.624 4.027 -3.798 147 HH TYR 15 HH TYR 15 10.725 1.036 -4.025 148 H THR 16 H THR 16 7.597 5.264 1.436 149 HA THR 16 HA THR 16 8.171 6.459 3.919 150 HB THR 16 HB THR 16 7.348 8.501 2.764 151 HG1 THR 16 1HG THR 16 6.352 9.119 4.569 152 1HG2 THR 16 1HG2 THR 16 5.330 8.660 1.739 153 2HG2 THR 16 2HG2 THR 16 4.552 7.547 2.865 154 3HG2 THR 16 3HG2 THR 16 5.543 6.920 1.548 155 H LEU 17 H LEU 17 6.029 6.361 5.358 156 HA LEU 17 HA LEU 17 4.556 3.920 4.633 157 1HB LEU 17 2HB LEU 17 5.988 4.568 7.182 158 2HB LEU 17 3HB LEU 17 4.624 3.451 7.169 159 HG LEU 17 HG LEU 17 6.884 2.950 5.294 160 1HD1 LEU 17 1HD1 LEU 17 7.116 3.024 8.204 161 2HD1 LEU 17 2HD1 LEU 17 8.368 2.970 6.963 162 3HD1 LEU 17 3HD1 LEU 17 7.584 1.481 7.487 163 1HD2 LEU 17 1HD2 LEU 17 4.860 1.324 6.800 164 2HD2 LEU 17 2HD2 LEU 17 6.276 0.583 6.054 165 3HD2 LEU 17 3HD2 LEU 17 5.105 1.449 5.058 166 H LYS 18 H LYS 18 4.287 7.087 5.179 167 HA LYS 18 HA LYS 18 2.036 7.137 6.971 168 1HB LYS 18 2HB LYS 18 3.363 9.206 5.232 169 2HB LYS 18 3HB LYS 18 1.884 9.552 6.117 170 1HG LYS 18 2HG LYS 18 4.066 8.369 7.698 171 2HG LYS 18 3HG LYS 18 4.354 9.998 7.080 172 1HD LYS 18 2HD LYS 18 3.317 10.522 9.045 173 2HD LYS 18 3HD LYS 18 1.899 10.382 8.003 174 1HE LYS 18 2HE LYS 18 1.261 8.372 8.914 175 2HE LYS 18 3HE LYS 18 2.901 7.950 9.405 176 1HZ LYS 18 1HZ LYS 18 1.365 8.531 11.259 177 2HZ LYS 18 2HZ LYS 18 1.326 10.117 10.675 178 3HZ LYS 18 3HZ LYS 18 2.783 9.451 11.217 179 H GLU 19 H GLU 19 2.371 6.125 3.858 180 HA GLU 19 HA GLU 19 0.897 5.612 2.202 181 1HB GLU 19 2HB GLU 19 -1.273 6.460 4.122 182 2HB GLU 19 3HB GLU 19 -1.438 5.394 2.734 183 1HG GLU 19 2HG GLU 19 0.419 4.040 4.105 184 2HG GLU 19 3HG GLU 19 -0.407 4.842 5.440 185 H ILE 20 H ILE 20 1.643 8.555 3.102 186 HA ILE 20 HA ILE 20 0.188 9.783 0.890 187 HB ILE 20 HB ILE 20 0.252 10.979 3.663 188 1HG1 ILE 20 2HG1 ILE 20 -1.443 9.183 3.277 189 2HG1 ILE 20 3HG1 ILE 20 -2.151 10.755 3.632 190 1HG2 ILE 20 1HG2 ILE 20 -1.432 12.466 2.003 191 2HG2 ILE 20 2HG2 ILE 20 0.129 12.956 2.661 192 3HG2 ILE 20 3HG2 ILE 20 0.041 12.203 1.069 193 1HD1 ILE 20 1HD1 ILE 20 -2.672 9.068 1.450 194 2HD1 ILE 20 2HD1 ILE 20 -3.311 10.683 1.756 195 3HD1 ILE 20 3HD1 ILE 20 -1.836 10.482 0.810 196 H CYS 21 H CYS 21 1.417 11.145 -0.273 197 HA CYS 21 HA CYS 21 4.201 11.371 0.355 198 1HB CYS 21 2HB CYS 21 3.432 11.118 -1.961 199 2HB CYS 21 3HB CYS 21 2.583 12.656 -1.855 200 HA PRO 22 HA PRO 22 3.621 15.079 2.791 201 1HB PRO 22 2HB PRO 22 6.225 15.307 3.519 202 2HB PRO 22 3HB PRO 22 5.112 14.165 4.280 203 1HG PRO 22 2HG PRO 22 7.151 13.682 2.142 204 2HG PRO 22 3HG PRO 22 6.771 12.700 3.568 205 1HD PRO 22 2HD PRO 22 5.855 12.093 1.094 206 2HD PRO 22 3HD PRO 22 4.933 11.734 2.568 207 H LYS 23 H LYS 23 5.259 14.621 -0.120 208 HA LYS 23 HA LYS 23 6.389 17.285 -0.279 209 1HB LYS 23 2HB LYS 23 6.904 14.848 -1.545 210 2HB LYS 23 3HB LYS 23 6.225 15.871 -2.805 211 1HG LYS 23 2HG LYS 23 8.609 16.086 -2.824 212 2HG LYS 23 3HG LYS 23 7.907 17.598 -2.249 213 1HD LYS 23 2HD LYS 23 8.261 16.211 0.080 214 2HD LYS 23 3HD LYS 23 9.651 15.688 -0.876 215 1HE LYS 23 2HE LYS 23 10.546 17.566 0.046 216 2HE LYS 23 3HE LYS 23 9.796 18.294 -1.374 217 1HZ LYS 23 1HZ LYS 23 8.614 19.566 -0.026 218 2HZ LYS 23 2HZ LYS 23 9.284 18.821 1.335 219 3HZ LYS 23 3HZ LYS 23 7.873 18.200 0.640 220 H CYS 24 H CYS 24 4.025 15.474 -2.247 221 HA CYS 24 HA CYS 24 2.816 18.034 -3.020 222 1HB CYS 24 2HB CYS 24 1.702 16.700 -4.811 223 2HB CYS 24 3HB CYS 24 3.459 16.675 -4.904 224 H GLY 25 H GLY 25 2.061 14.878 -1.633 225 1HA GLY 25 2HA GLY 25 0.405 14.999 0.227 226 2HA GLY 25 3HA GLY 25 -0.588 15.946 -0.871 227 H GLU 26 H GLU 26 0.223 14.191 -3.152 228 HA GLU 26 HA GLU 26 -1.961 12.517 -3.255 229 1HB GLU 26 2HB GLU 26 -0.527 13.139 -5.188 230 2HB GLU 26 3HB GLU 26 0.701 12.026 -4.600 231 1HG GLU 26 2HG GLU 26 -0.862 11.238 -6.465 232 2HG GLU 26 3HG GLU 26 -0.569 10.154 -5.106 233 H LYS 27 H LYS 27 -2.372 10.385 -2.790 234 HA LYS 27 HA LYS 27 -1.062 9.260 -0.559 235 1HB LYS 27 2HB LYS 27 -2.805 7.730 -2.484 236 2HB LYS 27 3HB LYS 27 -2.576 7.440 -0.765 237 1HG LYS 27 2HG LYS 27 -3.545 9.996 -0.795 238 2HG LYS 27 3HG LYS 27 -4.410 9.244 -2.137 239 1HD LYS 27 2HD LYS 27 -4.208 7.852 0.507 240 2HD LYS 27 3HD LYS 27 -5.412 9.118 0.255 241 1HE LYS 27 2HE LYS 27 -5.095 6.673 -1.482 242 2HE LYS 27 3HE LYS 27 -6.268 6.828 -0.175 243 1HZ LYS 27 1HZ LYS 27 -6.175 8.274 -2.748 244 2HZ LYS 27 2HZ LYS 27 -7.031 8.901 -1.430 245 3HZ LYS 27 3HZ LYS 27 -7.453 7.394 -2.073 246 H THR 28 H THR 28 0.317 7.510 -0.365 247 HA THR 28 HA THR 28 1.993 7.011 -2.689 248 HB THR 28 HB THR 28 3.241 5.572 -0.856 249 HG1 THR 28 1HG THR 28 2.881 6.783 1.208 250 1HG2 THR 28 1HG2 THR 28 3.677 8.321 -0.105 251 2HG2 THR 28 2HG2 THR 28 3.478 8.179 -1.851 252 3HG2 THR 28 3HG2 THR 28 4.717 7.235 -1.024 253 H VAL 29 H VAL 29 2.605 4.873 -3.346 254 HA VAL 29 HA VAL 29 0.706 2.757 -2.594 255 HB VAL 29 HB VAL 29 0.419 2.057 -4.867 256 1HG1 VAL 29 1HG1 VAL 29 0.080 5.036 -4.986 257 2HG1 VAL 29 2HG1 VAL 29 -0.951 3.777 -5.667 258 3HG1 VAL 29 3HG1 VAL 29 -0.907 4.034 -3.923 259 1HG2 VAL 29 1HG2 VAL 29 2.724 3.803 -5.322 260 2HG2 VAL 29 2HG2 VAL 29 2.196 2.368 -6.202 261 3HG2 VAL 29 3HG2 VAL 29 1.464 3.934 -6.549 262 H ILE 30 H ILE 30 1.480 0.623 -2.806 263 HA ILE 30 HA ILE 30 4.197 0.263 -2.174 264 HB ILE 30 HB ILE 30 2.307 -1.850 -3.213 265 1HG1 ILE 30 2HG1 ILE 30 1.324 -0.599 -1.323 266 2HG1 ILE 30 3HG1 ILE 30 1.706 -2.260 -0.884 267 1HG2 ILE 30 1HG2 ILE 30 3.979 -2.917 -1.271 268 2HG2 ILE 30 2HG2 ILE 30 4.092 -3.162 -3.013 269 3HG2 ILE 30 3HG2 ILE 30 5.029 -1.882 -2.239 270 1HD1 ILE 30 1HD1 ILE 30 2.360 -0.070 0.574 271 2HD1 ILE 30 2HD1 ILE 30 3.177 -1.631 0.673 272 3HD1 ILE 30 3HD1 ILE 30 3.847 -0.347 -0.333 273 HA PRO 31 HA PRO 31 5.733 0.543 -6.378 274 1HB PRO 31 2HB PRO 31 8.353 0.417 -5.682 275 2HB PRO 31 3HB PRO 31 7.391 1.893 -5.538 276 1HG PRO 31 2HG PRO 31 8.126 -0.102 -3.430 277 2HG PRO 31 3HG PRO 31 8.121 1.669 -3.342 278 1HD PRO 31 2HD PRO 31 6.125 0.154 -2.318 279 2HD PRO 31 3HD PRO 31 5.845 1.770 -2.994 280 H LYS 32 H LYS 32 5.395 -1.289 -7.499 281 HA LYS 32 HA LYS 32 5.909 -3.892 -6.668 282 1HB LYS 32 2HB LYS 32 5.141 -2.564 -9.134 283 2HB LYS 32 3HB LYS 32 6.186 -3.945 -9.445 284 1HG LYS 32 2HG LYS 32 4.618 -5.434 -8.838 285 2HG LYS 32 3HG LYS 32 4.019 -4.426 -7.520 286 1HD LYS 32 2HD LYS 32 3.418 -3.133 -9.982 287 2HD LYS 32 3HD LYS 32 2.897 -4.816 -10.097 288 1HE LYS 32 2HE LYS 32 2.178 -2.903 -7.877 289 2HE LYS 32 3HE LYS 32 1.129 -3.348 -9.221 290 1HZ LYS 32 1HZ LYS 32 2.174 -5.618 -7.814 291 2HZ LYS 32 2HZ LYS 32 0.578 -5.252 -8.237 292 3HZ LYS 32 3HZ LYS 32 1.245 -4.609 -6.822 293 HA PRO 33 HA PRO 33 10.212 -4.610 -7.140 294 1HB PRO 33 2HB PRO 33 10.272 -7.118 -8.177 295 2HB PRO 33 3HB PRO 33 9.822 -6.783 -6.501 296 1HG PRO 33 2HG PRO 33 8.063 -7.300 -8.868 297 2HG PRO 33 3HG PRO 33 7.921 -7.918 -7.213 298 1HD PRO 33 2HD PRO 33 6.433 -5.851 -8.127 299 2HD PRO 33 3HD PRO 33 6.955 -5.977 -6.435 300 HA PRO 34 HA PRO 34 11.687 -3.776 -11.197 301 1HB PRO 34 2HB PRO 34 14.034 -5.140 -11.276 302 2HB PRO 34 3HB PRO 34 13.806 -3.674 -10.313 303 1HG PRO 34 2HG PRO 34 13.724 -6.541 -9.451 304 2HG PRO 34 3HG PRO 34 14.483 -5.152 -8.650 305 1HD PRO 34 2HD PRO 34 12.086 -6.147 -7.878 306 2HD PRO 34 3HD PRO 34 12.492 -4.424 -7.746 307 H LYS 35 H LYS 35 11.983 -7.219 -10.341 308 HA LYS 35 HA LYS 35 10.571 -8.024 -12.698 309 1HB LYS 35 2HB LYS 35 13.231 -7.611 -13.133 310 2HB LYS 35 3HB LYS 35 13.224 -9.309 -12.672 311 1HG LYS 35 2HG LYS 35 12.052 -9.952 -14.523 312 2HG LYS 35 3HG LYS 35 11.256 -8.387 -14.700 313 1HD LYS 35 2HD LYS 35 14.147 -8.222 -15.004 314 2HD LYS 35 3HD LYS 35 13.399 -9.304 -16.181 315 1HE LYS 35 2HE LYS 35 12.537 -6.465 -15.638 316 2HE LYS 35 3HE LYS 35 13.564 -6.971 -16.979 317 1HZ LYS 35 1HZ LYS 35 11.169 -8.507 -16.856 318 2HZ LYS 35 2HZ LYS 35 11.798 -7.602 -18.139 319 3HZ LYS 35 3HZ LYS 35 10.826 -6.854 -16.973 320 H PHE 36 H PHE 36 11.246 -10.645 -12.887 321 HA PHE 36 HA PHE 36 9.889 -11.849 -10.798 322 1HB PHE 36 2HB PHE 36 10.142 -13.010 -12.883 323 2HB PHE 36 3HB PHE 36 11.896 -13.007 -12.735 324 HD1 PHE 36 1HD PHE 36 13.033 -14.629 -11.410 325 HD2 PHE 36 2HD PHE 36 8.779 -14.486 -11.474 326 HE1 PHE 36 1HE PHE 36 12.945 -16.827 -10.308 327 HE2 PHE 36 2HE PHE 36 8.685 -16.683 -10.371 328 HZ PHE 36 HZ PHE 36 10.770 -17.856 -9.786 329 H SER 37 H SER 37 13.259 -11.025 -11.071 330 HA SER 37 HA SER 37 13.864 -12.453 -8.581 331 1HB SER 37 2HB SER 37 15.921 -11.028 -10.242 332 2HB SER 37 3HB SER 37 16.120 -12.425 -9.186 333 HG SER 37 HG SER 37 15.436 -13.720 -10.737 334 H LEU 38 H LEU 38 15.607 -11.196 -7.234 335 HA LEU 38 HA LEU 38 14.327 -8.758 -6.386 336 1HB LEU 38 2HB LEU 38 16.907 -9.888 -5.338 337 2HB LEU 38 3HB LEU 38 15.771 -8.822 -4.513 338 HG LEU 38 HG LEU 38 15.207 -11.695 -5.243 339 1HD1 LEU 38 1HD1 LEU 38 15.319 -11.865 -2.656 340 2HD1 LEU 38 2HD1 LEU 38 16.326 -10.424 -2.783 341 3HD1 LEU 38 3HD1 LEU 38 16.809 -11.912 -3.598 342 1HD2 LEU 38 1HD2 LEU 38 13.317 -11.407 -3.680 343 2HD2 LEU 38 2HD2 LEU 38 13.195 -10.369 -5.101 344 3HD2 LEU 38 3HD2 LEU 38 13.711 -9.692 -3.556 345 H GLU 39 H GLU 39 17.310 -9.679 -8.004 346 HA GLU 39 HA GLU 39 17.683 -6.907 -8.823 347 1HB GLU 39 2HB GLU 39 20.170 -7.138 -8.300 348 2HB GLU 39 3HB GLU 39 19.092 -6.870 -6.938 349 1HG GLU 39 2HG GLU 39 19.132 -9.283 -6.462 350 2HG GLU 39 3HG GLU 39 20.271 -9.505 -7.787 351 H ASP 40 H ASP 40 17.885 -6.933 -10.952 352 HA ASP 40 HA ASP 40 19.141 -9.274 -12.223 353 1HB ASP 40 2HB ASP 40 17.861 -8.535 -14.275 354 2HB ASP 40 3HB ASP 40 16.872 -9.119 -12.940 355 H ARG 41 H ARG 41 20.353 -6.727 -11.142 356 HA ARG 41 HA ARG 41 21.202 -5.150 -13.339 357 1HB ARG 41 2HB ARG 41 22.424 -5.522 -10.598 358 2HB ARG 41 3HB ARG 41 22.920 -4.294 -11.754 359 1HG ARG 41 2HG ARG 41 20.084 -4.488 -10.810 360 2HG ARG 41 3HG ARG 41 21.310 -3.618 -9.887 361 1HD ARG 41 2HD ARG 41 20.373 -1.952 -11.201 362 2HD ARG 41 3HD ARG 41 21.807 -2.417 -12.117 363 HE ARG 41 HE ARG 41 20.445 -3.173 -13.792 364 1HH1 ARG 41 2HH1 ARG 41 18.564 -2.771 -10.890 365 2HH1 ARG 41 1HH1 ARG 41 17.048 -3.061 -11.677 366 1HH2 ARG 41 2HH2 ARG 41 18.454 -3.556 -14.839 367 2HH2 ARG 41 1HH2 ARG 41 16.987 -3.508 -13.923 368 H TRP 42 H TRP 42 23.204 -7.294 -11.309 369 HA TRP 42 HA TRP 42 24.901 -7.787 -13.657 370 1HB TRP 42 2HB TRP 42 25.405 -7.792 -10.704 371 2HB TRP 42 3HB TRP 42 26.435 -8.758 -11.757 372 HD1 TRP 42 1HD TRP 42 25.091 -5.134 -12.189 373 HE1 TRP 42 1HE TRP 42 27.102 -3.606 -12.685 374 HE3 TRP 42 3HE TRP 42 28.840 -8.596 -11.869 375 HZ2 TRP 42 2HZ TRP 42 29.907 -3.837 -12.912 376 HZ3 TRP 42 3HZ TRP 42 31.159 -7.861 -12.240 377 HH2 TRP 42 2HH TRP 42 31.679 -5.530 -12.751 378 H GLY 43 H GLY 43 22.697 -9.281 -11.482 379 1HA GLY 43 2HA GLY 43 21.783 -11.392 -11.494 380 2HA GLY 43 3HA GLY 43 22.642 -11.687 -12.998 381 H LYS 44 H LYS 44 24.804 -12.475 -12.912 382 HA LYS 44 HA LYS 44 25.248 -14.536 -11.129 383 1HB LYS 44 2HB LYS 44 27.609 -14.482 -11.909 384 2HB LYS 44 3HB LYS 44 26.440 -14.425 -13.222 385 1HG LYS 44 2HG LYS 44 26.780 -12.042 -13.465 386 2HG LYS 44 3HG LYS 44 27.881 -12.037 -12.085 387 1HD LYS 44 2HD LYS 44 28.366 -13.724 -14.527 388 2HD LYS 44 3HD LYS 44 28.935 -12.058 -14.403 389 1HE LYS 44 2HE LYS 44 30.086 -12.721 -12.271 390 2HE LYS 44 3HE LYS 44 29.673 -14.392 -12.648 391 1HZ LYS 44 1HZ LYS 44 31.914 -13.828 -13.372 392 2HZ LYS 44 2HZ LYS 44 31.307 -12.600 -14.362 393 3HZ LYS 44 3HZ LYS 44 30.932 -14.215 -14.694 394 H TYR 45 H TYR 45 26.010 -11.150 -10.814 395 HA TYR 45 HA TYR 45 27.924 -11.231 -8.795 396 1HB TYR 45 2HB TYR 45 27.402 -9.161 -9.927 397 2HB TYR 45 3HB TYR 45 25.750 -9.196 -9.321 398 HD1 TYR 45 1HD TYR 45 29.292 -8.934 -8.222 399 HD2 TYR 45 2HD TYR 45 25.213 -8.177 -7.282 400 HE1 TYR 45 1HE TYR 45 29.994 -7.626 -6.259 401 HE2 TYR 45 2HE TYR 45 25.903 -6.867 -5.317 402 HH TYR 45 HH TYR 45 29.068 -5.819 -4.825 403 H ARG 46 H ARG 46 24.480 -11.729 -8.670 404 HA ARG 46 HA ARG 46 23.911 -11.285 -6.007 405 1HB ARG 46 2HB ARG 46 22.022 -12.684 -6.278 406 2HB ARG 46 3HB ARG 46 22.315 -11.970 -7.859 407 1HG ARG 46 2HG ARG 46 22.009 -14.106 -8.519 408 2HG ARG 46 3HG ARG 46 23.732 -14.206 -8.153 409 1HD ARG 46 2HD ARG 46 23.396 -15.416 -6.243 410 2HD ARG 46 3HD ARG 46 21.804 -14.717 -5.951 411 HE ARG 46 HE ARG 46 21.729 -16.311 -8.273 412 1HH1 ARG 46 2HH1 ARG 46 21.974 -16.580 -4.811 413 2HH1 ARG 46 1HH1 ARG 46 21.235 -18.146 -4.750 414 1HH2 ARG 46 2HH2 ARG 46 20.754 -18.372 -8.205 415 2HH2 ARG 46 1HH2 ARG 46 20.542 -19.165 -6.681 416 H ARG 47 H ARG 47 25.640 -13.942 -7.481 417 HA ARG 47 HA ARG 47 25.550 -15.862 -5.505 418 1HB ARG 47 2HB ARG 47 26.722 -15.892 -7.811 419 2HB ARG 47 3HB ARG 47 28.108 -15.232 -6.952 420 1HG ARG 47 2HG ARG 47 27.869 -17.227 -5.381 421 2HG ARG 47 3HG ARG 47 26.796 -17.904 -6.607 422 1HD ARG 47 2HD ARG 47 29.562 -16.924 -7.256 423 2HD ARG 47 3HD ARG 47 29.252 -18.572 -6.711 424 HE ARG 47 HE ARG 47 28.758 -17.508 -9.309 425 1HH1 ARG 47 2HH1 ARG 47 27.620 -19.819 -6.968 426 2HH1 ARG 47 1HH1 ARG 47 26.899 -20.859 -8.151 427 1HH2 ARG 47 2HH2 ARG 47 27.814 -18.868 -10.877 428 2HH2 ARG 47 1HH2 ARG 47 27.011 -20.317 -10.375 429 H MET 48 H MET 48 28.291 -13.610 -5.885 430 HA MET 48 HA MET 48 29.446 -14.070 -3.409 431 1HB MET 48 2HB MET 48 30.216 -12.648 -5.500 432 2HB MET 48 3HB MET 48 29.546 -11.317 -4.565 433 1HG MET 48 2HG MET 48 31.689 -11.242 -3.833 434 2HG MET 48 3HG MET 48 31.024 -12.372 -2.656 435 1HE MET 48 1HE MET 48 32.794 -15.397 -2.860 436 2HE MET 48 2HE MET 48 31.314 -14.540 -2.429 437 3HE MET 48 3HE MET 48 31.364 -15.538 -3.883 438 H LEU 49 H LEU 49 26.692 -12.128 -4.246 439 HA LEU 49 HA LEU 49 26.605 -10.472 -1.967 440 1HB LEU 49 2HB LEU 49 25.221 -10.526 -4.233 441 2HB LEU 49 3HB LEU 49 24.076 -11.399 -3.217 442 HG LEU 49 HG LEU 49 23.539 -9.016 -3.371 443 1HD1 LEU 49 1HD1 LEU 49 23.353 -10.526 -1.211 444 2HD1 LEU 49 2HD1 LEU 49 22.921 -8.817 -1.187 445 3HD1 LEU 49 3HD1 LEU 49 24.491 -9.337 -0.576 446 1HD2 LEU 49 1HD2 LEU 49 26.144 -8.510 -3.460 447 2HD2 LEU 49 2HD2 LEU 49 25.897 -8.276 -1.728 448 3HD2 LEU 49 3HD2 LEU 49 24.975 -7.319 -2.890 449 H LYS 50 H LYS 50 25.582 -13.761 -2.543 450 HA LYS 50 HA LYS 50 24.662 -15.359 -1.203 451 1HB LYS 50 2HB LYS 50 26.005 -13.783 1.000 452 2HB LYS 50 3HB LYS 50 25.530 -15.476 1.064 453 1HG LYS 50 2HG LYS 50 27.519 -14.426 -0.927 454 2HG LYS 50 3HG LYS 50 27.978 -15.006 0.676 455 1HD LYS 50 2HD LYS 50 26.593 -17.114 -0.017 456 2HD LYS 50 3HD LYS 50 26.879 -16.520 -1.654 457 1HE LYS 50 2HE LYS 50 29.193 -16.685 0.205 458 2HE LYS 50 3HE LYS 50 28.550 -18.190 -0.453 459 1HZ LYS 50 1HZ LYS 50 29.099 -17.590 -2.595 460 2HZ LYS 50 2HZ LYS 50 30.398 -16.950 -1.721 461 3HZ LYS 50 3HZ LYS 50 29.153 -15.934 -2.248 462 H ARG 51 H ARG 51 22.865 -13.365 -1.837 463 HA ARG 51 HA ARG 51 21.522 -12.457 0.547 464 1HB ARG 51 2HB ARG 51 21.620 -11.339 -1.814 465 2HB ARG 51 3HB ARG 51 20.279 -12.417 -2.180 466 1HG ARG 51 2HG ARG 51 19.107 -10.606 -1.483 467 2HG ARG 51 3HG ARG 51 19.334 -11.401 0.076 468 1HD ARG 51 2HD ARG 51 21.391 -10.001 0.384 469 2HD ARG 51 3HD ARG 51 20.929 -9.116 -1.069 470 HE ARG 51 HE ARG 51 19.739 -8.909 1.547 471 1HH1 ARG 51 2HH1 ARG 51 19.304 -8.389 -1.868 472 2HH1 ARG 51 1HH1 ARG 51 18.083 -7.177 -1.661 473 1HH2 ARG 51 2HH2 ARG 51 18.134 -7.314 1.833 474 2HH2 ARG 51 1HH2 ARG 51 17.419 -6.565 0.445 475 H ALA 52 H ALA 52 19.913 -13.439 1.603 476 HA ALA 52 HA ALA 52 18.376 -15.001 2.217 477 1HB ALA 52 1HB ALA 52 17.944 -15.178 -0.762 478 2HB ALA 52 2HB ALA 52 16.881 -15.875 0.462 479 3HB ALA 52 3HB ALA 52 17.090 -14.126 0.367 480 H LEU 53 H LEU 53 21.107 -15.825 1.884 481 HA LEU 53 HA LEU 53 21.052 -18.460 0.692 482 1HB LEU 53 2HB LEU 53 23.022 -16.646 1.051 483 2HB LEU 53 3HB LEU 53 23.305 -17.702 2.433 484 HG LEU 53 HG LEU 53 24.708 -18.331 0.549 485 1HD1 LEU 53 1HD1 LEU 53 23.619 -20.024 2.144 486 2HD1 LEU 53 2HD1 LEU 53 24.352 -20.628 0.657 487 3HD1 LEU 53 3HD1 LEU 53 22.601 -20.450 0.768 488 1HD2 LEU 53 1HD2 LEU 53 23.995 -18.623 -1.570 489 2HD2 LEU 53 2HD2 LEU 53 22.680 -17.570 -1.050 490 3HD2 LEU 53 3HD2 LEU 53 22.454 -19.319 -1.073 491 H LYS 54 H LYS 54 20.880 -17.029 3.878 492 HA LYS 54 HA LYS 54 20.826 -19.702 5.098 493 1HB LYS 54 2HB LYS 54 21.149 -16.967 6.346 494 2HB LYS 54 3HB LYS 54 21.068 -18.472 7.253 495 1HG LYS 54 2HG LYS 54 23.154 -17.884 5.166 496 2HG LYS 54 3HG LYS 54 23.369 -17.590 6.893 497 1HD LYS 54 2HD LYS 54 22.727 -20.066 7.178 498 2HD LYS 54 3HD LYS 54 23.056 -20.203 5.449 499 1HE LYS 54 2HE LYS 54 25.019 -20.813 6.747 500 2HE LYS 54 3HE LYS 54 25.321 -19.344 5.820 501 1HZ LYS 54 1HZ LYS 54 25.664 -18.185 7.670 502 2HZ LYS 54 2HZ LYS 54 25.748 -19.664 8.486 503 3HZ LYS 54 3HZ LYS 54 24.290 -18.807 8.437 504 H ASN 55 H ASN 55 18.937 -16.806 4.577 505 HA ASN 55 HA ASN 55 16.682 -18.024 6.021 506 1HB ASN 55 2HB ASN 55 17.089 -15.143 5.186 507 2HB ASN 55 3HB ASN 55 15.709 -15.764 6.086 508 1HD2 ASN 55 1HD2 ASN 55 17.087 -13.728 7.144 509 2HD2 ASN 55 2HD2 ASN 55 18.023 -14.255 8.498 510 H LYS 56 H LYS 56 14.492 -17.332 5.035 511 HA LYS 56 HA LYS 56 14.617 -17.527 2.101 512 1HB LYS 56 2HB LYS 56 13.459 -19.393 4.000 513 2HB LYS 56 3HB LYS 56 12.258 -18.810 2.855 514 1HG LYS 56 2HG LYS 56 14.909 -20.005 2.078 515 2HG LYS 56 3HG LYS 56 13.387 -20.896 2.150 516 1HD LYS 56 2HD LYS 56 13.375 -18.395 0.575 517 2HD LYS 56 3HD LYS 56 14.316 -19.734 -0.086 518 1HE LYS 56 2HE LYS 56 12.013 -20.986 0.662 519 2HE LYS 56 3HE LYS 56 11.414 -19.404 0.164 520 1HZ LYS 56 1HZ LYS 56 11.860 -19.824 -1.972 521 2HZ LYS 56 2HZ LYS 56 11.893 -21.450 -1.507 522 3HZ LYS 56 3HZ LYS 56 13.337 -20.579 -1.641 523 H ASN 57 H ASN 57 13.760 -15.748 1.269 524 HA ASN 57 HA ASN 57 11.755 -14.253 2.766 525 1HB ASN 57 2HB ASN 57 13.246 -13.601 0.216 526 2HB ASN 57 3HB ASN 57 12.091 -12.527 1.000 527 1HD2 ASN 57 1HD2 ASN 57 13.916 -11.053 1.042 528 2HD2 ASN 57 2HD2 ASN 57 15.054 -11.163 2.337 529 H LYS 58 H LYS 58 9.711 -14.864 2.510 530 HA LYS 58 HA LYS 58 8.687 -15.214 -0.210 531 1HB LYS 58 2HB LYS 58 9.219 -17.445 1.022 532 2HB LYS 58 3HB LYS 58 7.776 -17.080 1.959 533 1HG LYS 58 2HG LYS 58 6.533 -16.899 -0.217 534 2HG LYS 58 3HG LYS 58 7.976 -17.542 -1.004 535 1HD LYS 58 2HD LYS 58 6.476 -18.919 1.222 536 2HD LYS 58 3HD LYS 58 6.270 -19.273 -0.494 537 1HE LYS 58 2HE LYS 58 8.768 -19.721 -0.550 538 2HE LYS 58 3HE LYS 58 8.713 -19.684 1.212 539 1HZ LYS 58 1HZ LYS 58 8.076 -21.806 -0.504 540 2HZ LYS 58 2HZ LYS 58 6.667 -21.363 0.320 541 3HZ LYS 58 3HZ LYS 58 8.057 -21.783 1.188 542 H ALA 59 H ALA 59 6.605 -14.508 -0.515 543 HA ALA 59 HA ALA 59 5.578 -12.647 1.370 544 1HB ALA 59 1HB ALA 59 5.246 -13.115 -1.337 545 2HB ALA 59 2HB ALA 59 3.661 -13.462 -0.643 546 3HB ALA 59 3HB ALA 59 4.418 -11.892 -0.373 547 H GLU 60 H GLU 60 4.615 -15.906 0.380 548 HA GLU 60 HA GLU 60 2.511 -15.903 2.419 549 1HB GLU 60 2HB GLU 60 3.054 -17.531 -0.024 550 2HB GLU 60 3HB GLU 60 2.127 -18.258 1.282 551 1HG GLU 60 2HG GLU 60 0.569 -17.348 -0.234 552 2HG GLU 60 3HG GLU 60 0.595 -16.278 1.166 Start of MODEL 16 1 1H GLY -2 H GLY -3 27.669 -3.795 5.472 2 1HA GLY -2 2HA GLY -3 26.173 -2.156 4.853 3 2HA GLY -2 3HA GLY -3 26.744 -2.530 3.233 4 H SER -1 H SER -2 25.695 -5.209 3.163 5 HA SER -1 HA SER -2 22.949 -4.541 2.506 6 1HB SER -1 2HB SER -2 24.298 -5.845 0.910 7 2HB SER -1 3HB SER -2 24.486 -7.122 2.112 8 HG SER -1 HG SER -2 22.059 -6.241 0.930 9 H HIS 0 H HIS -1 24.643 -5.925 5.097 10 HA HIS 0 HA HIS -1 22.965 -7.879 6.086 11 1HB HIS 0 2HB HIS -1 25.207 -7.078 7.017 12 2HB HIS 0 3HB HIS -1 24.292 -5.827 7.854 13 HD1 HIS 0 1HD HIS -1 25.593 -7.388 9.832 14 HD2 HIS 0 2HD HIS -1 22.130 -8.839 8.054 15 HE1 HIS 0 1HE HIS -1 24.698 -9.121 11.420 16 H MET 1 H MET 1 22.710 -4.367 6.449 17 HA MET 1 HA MET 1 20.437 -4.446 8.159 18 1HB MET 1 2HB MET 1 21.896 -2.348 6.632 19 2HB MET 1 3HB MET 1 20.254 -1.985 7.148 20 1HG MET 1 2HG MET 1 21.234 -2.931 9.449 21 2HG MET 1 3HG MET 1 22.719 -2.305 8.735 22 1HE MET 1 1HE MET 1 22.506 0.962 7.980 23 2HE MET 1 2HE MET 1 22.956 0.957 9.686 24 3HE MET 1 3HE MET 1 23.472 -0.362 8.634 25 H VAL 2 H VAL 2 18.376 -4.804 7.670 26 HA VAL 2 HA VAL 2 17.601 -4.908 4.846 27 HB VAL 2 HB VAL 2 16.017 -5.897 7.217 28 1HG1 VAL 2 1HG1 VAL 2 14.995 -7.347 5.412 29 2HG1 VAL 2 2HG1 VAL 2 14.605 -5.627 5.340 30 3HG1 VAL 2 3HG1 VAL 2 15.809 -6.306 4.244 31 1HG2 VAL 2 1HG2 VAL 2 16.963 -8.133 5.974 32 2HG2 VAL 2 2HG2 VAL 2 18.348 -7.046 5.864 33 3HG2 VAL 2 3HG2 VAL 2 17.646 -7.425 7.437 34 H GLU 3 H GLU 3 15.880 -3.765 4.019 35 HA GLU 3 HA GLU 3 15.071 -1.437 5.585 36 1HB GLU 3 2HB GLU 3 14.711 -2.074 2.652 37 2HB GLU 3 3HB GLU 3 14.210 -0.576 3.424 38 1HG GLU 3 2HG GLU 3 17.050 -1.461 3.625 39 2HG GLU 3 3HG GLU 3 16.467 -0.703 2.144 40 H MET 4 H MET 4 13.278 -1.609 6.748 41 HA MET 4 HA MET 4 11.371 -3.597 6.605 42 1HB MET 4 2HB MET 4 10.047 -2.299 8.075 43 2HB MET 4 3HB MET 4 11.715 -1.891 8.451 44 1HG MET 4 2HG MET 4 11.223 0.024 6.669 45 2HG MET 4 3HG MET 4 9.579 -0.241 7.246 46 1HE MET 4 1HE MET 4 11.999 2.766 8.519 47 2HE MET 4 2HE MET 4 13.198 1.503 8.803 48 3HE MET 4 3HE MET 4 12.361 1.592 7.253 49 H ARG 5 H ARG 5 9.376 -3.830 5.635 50 HA ARG 5 HA ARG 5 9.033 -2.928 3.045 51 1HB ARG 5 2HB ARG 5 6.969 -3.998 3.060 52 2HB ARG 5 3HB ARG 5 7.839 -4.832 4.340 53 1HG ARG 5 2HG ARG 5 5.856 -2.602 4.742 54 2HG ARG 5 3HG ARG 5 5.533 -4.322 4.969 55 1HD ARG 5 2HD ARG 5 7.541 -2.667 6.497 56 2HD ARG 5 3HD ARG 5 5.981 -3.224 7.100 57 HE ARG 5 HE ARG 5 8.398 -4.717 6.993 58 1HH1 ARG 5 2HH1 ARG 5 4.940 -5.001 6.715 59 2HH1 ARG 5 1HH1 ARG 5 4.906 -6.661 7.213 60 1HH2 ARG 5 2HH2 ARG 5 8.367 -6.902 7.649 61 2HH2 ARG 5 1HH2 ARG 5 6.855 -7.740 7.745 62 H MET 6 H MET 6 7.477 -1.472 2.109 63 HA MET 6 HA MET 6 6.009 0.411 3.598 64 1HB MET 6 2HB MET 6 7.322 2.395 3.385 65 2HB MET 6 3HB MET 6 8.339 1.175 4.139 66 1HG MET 6 2HG MET 6 8.967 0.772 1.558 67 2HG MET 6 3HG MET 6 8.577 2.489 1.518 68 1HE MET 6 1HE MET 6 9.425 2.790 4.817 69 2HE MET 6 2HE MET 6 10.975 3.599 4.583 70 3HE MET 6 3HE MET 6 9.571 4.089 3.633 71 H LYS 7 H LYS 7 5.946 2.581 1.952 72 HA LYS 7 HA LYS 7 5.381 1.467 -0.715 73 1HB LYS 7 2HB LYS 7 3.422 3.058 -0.796 74 2HB LYS 7 3HB LYS 7 3.246 1.697 0.306 75 1HG LYS 7 2HG LYS 7 4.264 3.495 2.003 76 2HG LYS 7 3HG LYS 7 3.460 4.586 0.872 77 1HD LYS 7 2HD LYS 7 2.180 2.270 2.325 78 2HD LYS 7 3HD LYS 7 1.973 3.981 2.710 79 1HE LYS 7 2HE LYS 7 0.974 4.351 0.507 80 2HE LYS 7 3HE LYS 7 1.186 2.643 0.122 81 1HZ LYS 7 1HZ LYS 7 -0.163 2.558 2.454 82 2HZ LYS 7 2HZ LYS 7 -0.872 2.435 0.924 83 3HZ LYS 7 3HZ LYS 7 -0.835 3.926 1.721 84 H LYS 8 H LYS 8 4.917 3.402 -2.286 85 HA LYS 8 HA LYS 8 6.631 5.696 -1.722 86 1HB LYS 8 2HB LYS 8 8.070 3.958 -2.781 87 2HB LYS 8 3HB LYS 8 7.010 3.983 -4.184 88 1HG LYS 8 2HG LYS 8 7.542 6.418 -4.429 89 2HG LYS 8 3HG LYS 8 8.759 6.209 -3.167 90 1HD LYS 8 2HD LYS 8 9.924 5.999 -5.205 91 2HD LYS 8 3HD LYS 8 9.718 4.349 -4.612 92 1HE LYS 8 2HE LYS 8 7.608 4.296 -6.063 93 2HE LYS 8 3HE LYS 8 8.253 5.746 -6.831 94 1HZ LYS 8 1HZ LYS 8 9.852 4.587 -7.878 95 2HZ LYS 8 2HZ LYS 8 8.799 3.282 -7.659 96 3HZ LYS 8 3HZ LYS 8 10.094 3.512 -6.595 97 H CYS 9 H CYS 9 6.201 7.516 -3.010 98 HA CYS 9 HA CYS 9 3.513 7.695 -3.946 99 1HB CYS 9 2HB CYS 9 4.711 9.574 -2.848 100 2HB CYS 9 3HB CYS 9 5.765 9.692 -4.253 101 HA PRO 10 HA PRO 10 4.464 6.252 -8.065 102 1HB PRO 10 2HB PRO 10 1.914 6.403 -8.984 103 2HB PRO 10 3HB PRO 10 2.488 5.086 -7.954 104 1HG PRO 10 2HG PRO 10 0.933 7.533 -7.210 105 2HG PRO 10 3HG PRO 10 0.710 5.859 -6.670 106 1HD PRO 10 2HD PRO 10 1.972 7.718 -5.161 107 2HD PRO 10 3HD PRO 10 2.409 5.998 -5.119 108 H LYS 11 H LYS 11 3.485 9.302 -7.025 109 HA LYS 11 HA LYS 11 3.305 10.419 -9.720 110 1HB LYS 11 2HB LYS 11 2.330 11.176 -7.091 111 2HB LYS 11 3HB LYS 11 3.150 12.515 -7.887 112 1HG LYS 11 2HG LYS 11 0.836 12.647 -8.420 113 2HG LYS 11 3HG LYS 11 1.696 12.133 -9.874 114 1HD LYS 11 2HD LYS 11 1.117 9.758 -9.215 115 2HD LYS 11 3HD LYS 11 0.033 10.453 -8.008 116 1HE LYS 11 2HE LYS 11 -0.105 11.142 -10.935 117 2HE LYS 11 3HE LYS 11 -1.017 9.815 -10.218 118 1HZ LYS 11 1HZ LYS 11 -2.240 11.293 -8.891 119 2HZ LYS 11 2HZ LYS 11 -2.206 12.010 -10.422 120 3HZ LYS 11 3HZ LYS 11 -1.194 12.587 -9.196 121 H CYS 12 H CYS 12 5.243 10.729 -6.767 122 HA CYS 12 HA CYS 12 7.255 12.217 -8.311 123 1HB CYS 12 2HB CYS 12 7.175 11.981 -5.308 124 2HB CYS 12 3HB CYS 12 8.027 13.171 -6.284 125 H GLY 13 H GLY 13 7.083 9.800 -5.686 126 1HA GLY 13 2HA GLY 13 8.202 7.633 -6.172 127 2HA GLY 13 3HA GLY 13 9.530 8.587 -6.818 128 H LEU 14 H LEU 14 7.821 9.559 -3.940 129 HA LEU 14 HA LEU 14 10.290 9.261 -2.417 130 1HB LEU 14 2HB LEU 14 9.447 11.369 -2.055 131 2HB LEU 14 3HB LEU 14 7.772 10.820 -2.095 132 HG LEU 14 HG LEU 14 8.076 9.830 0.146 133 1HD1 LEU 14 1HD1 LEU 14 10.626 9.646 -0.223 134 2HD1 LEU 14 2HD1 LEU 14 10.021 10.027 1.390 135 3HD1 LEU 14 3HD1 LEU 14 10.668 11.309 0.366 136 1HD2 LEU 14 1HD2 LEU 14 7.221 12.146 -0.206 137 2HD2 LEU 14 2HD2 LEU 14 8.858 12.740 0.077 138 3HD2 LEU 14 3HD2 LEU 14 7.994 11.890 1.359 139 H TYR 15 H TYR 15 10.597 7.783 -0.869 140 HA TYR 15 HA TYR 15 8.562 5.771 -0.451 141 1HB TYR 15 2HB TYR 15 11.450 6.056 0.301 142 2HB TYR 15 3HB TYR 15 10.453 4.850 1.107 143 HD1 TYR 15 1HD TYR 15 12.174 5.759 -1.958 144 HD2 TYR 15 2HD TYR 15 9.459 2.995 -0.199 145 HE1 TYR 15 1HE TYR 15 12.537 4.214 -3.837 146 HE2 TYR 15 2HE TYR 15 9.816 1.442 -2.073 147 HH TYR 15 HH TYR 15 11.802 2.342 -4.851 148 H THR 16 H THR 16 7.559 5.269 1.476 149 HA THR 16 HA THR 16 8.132 6.450 3.966 150 HB THR 16 HB THR 16 7.290 8.495 2.830 151 HG1 THR 16 1HG THR 16 5.674 8.926 4.507 152 1HG2 THR 16 1HG2 THR 16 5.566 7.028 1.500 153 2HG2 THR 16 2HG2 THR 16 5.171 8.690 1.942 154 3HG2 THR 16 3HG2 THR 16 4.533 7.348 2.892 155 H LEU 17 H LEU 17 5.972 6.339 5.397 156 HA LEU 17 HA LEU 17 4.521 3.891 4.661 157 1HB LEU 17 2HB LEU 17 5.963 4.517 7.212 158 2HB LEU 17 3HB LEU 17 4.606 3.391 7.191 159 HG LEU 17 HG LEU 17 6.860 2.930 5.299 160 1HD1 LEU 17 1HD1 LEU 17 7.078 2.912 8.227 161 2HD1 LEU 17 2HD1 LEU 17 8.334 2.994 6.991 162 3HD1 LEU 17 3HD1 LEU 17 7.626 1.439 7.426 163 1HD2 LEU 17 1HD2 LEU 17 6.274 0.550 6.021 164 2HD2 LEU 17 2HD2 LEU 17 5.084 1.423 5.056 165 3HD2 LEU 17 3HD2 LEU 17 4.862 1.265 6.798 166 H LYS 18 H LYS 18 4.226 7.045 5.217 167 HA LYS 18 HA LYS 18 1.983 7.059 7.026 168 1HB LYS 18 2HB LYS 18 3.307 9.164 5.328 169 2HB LYS 18 3HB LYS 18 1.825 9.489 6.218 170 1HG LYS 18 2HG LYS 18 4.095 8.310 7.716 171 2HG LYS 18 3HG LYS 18 4.220 9.999 7.221 172 1HD LYS 18 2HD LYS 18 1.865 8.861 8.718 173 2HD LYS 18 3HD LYS 18 3.242 9.638 9.502 174 1HE LYS 18 2HE LYS 18 2.718 11.590 7.857 175 2HE LYS 18 3HE LYS 18 1.133 10.828 7.748 176 1HZ LYS 18 1HZ LYS 18 1.890 12.609 9.639 177 2HZ LYS 18 2HZ LYS 18 2.066 11.134 10.446 178 3HZ LYS 18 3HZ LYS 18 0.575 11.552 9.765 179 H GLU 19 H GLU 19 2.291 6.029 3.944 180 HA GLU 19 HA GLU 19 0.818 5.543 2.279 181 1HB GLU 19 2HB GLU 19 -1.306 6.422 4.241 182 2HB GLU 19 3HB GLU 19 -1.551 5.438 2.805 183 1HG GLU 19 2HG GLU 19 0.334 4.002 4.152 184 2HG GLU 19 3HG GLU 19 -0.621 4.682 5.467 185 H ILE 20 H ILE 20 1.641 8.466 3.130 186 HA ILE 20 HA ILE 20 0.174 9.712 0.934 187 HB ILE 20 HB ILE 20 0.399 10.997 3.659 188 1HG1 ILE 20 2HG1 ILE 20 -1.314 9.178 3.473 189 2HG1 ILE 20 3HG1 ILE 20 -1.993 10.764 3.819 190 1HG2 ILE 20 1HG2 ILE 20 -0.508 11.982 0.987 191 2HG2 ILE 20 2HG2 ILE 20 -1.216 12.643 2.460 192 3HG2 ILE 20 3HG2 ILE 20 0.520 12.771 2.183 193 1HD1 ILE 20 1HD1 ILE 20 -2.703 8.999 1.770 194 2HD1 ILE 20 2HD1 ILE 20 -3.280 10.645 2.029 195 3HD1 ILE 20 3HD1 ILE 20 -1.886 10.353 0.990 196 H CYS 21 H CYS 21 1.291 11.340 -0.118 197 HA CYS 21 HA CYS 21 4.148 11.410 0.427 198 1HB CYS 21 2HB CYS 21 3.433 11.010 -1.873 199 2HB CYS 21 3HB CYS 21 2.535 12.523 -1.877 200 HA PRO 22 HA PRO 22 3.494 15.267 2.621 201 1HB PRO 22 2HB PRO 22 6.060 15.484 3.485 202 2HB PRO 22 3HB PRO 22 4.875 14.419 4.250 203 1HG PRO 22 2HG PRO 22 7.019 13.752 2.272 204 2HG PRO 22 3HG PRO 22 6.534 12.874 3.734 205 1HD PRO 22 2HD PRO 22 5.743 12.125 1.255 206 2HD PRO 22 3HD PRO 22 4.731 11.885 2.692 207 H LYS 23 H LYS 23 5.288 14.580 -0.151 208 HA LYS 23 HA LYS 23 6.534 17.174 -0.419 209 1HB LYS 23 2HB LYS 23 6.943 14.654 -1.551 210 2HB LYS 23 3HB LYS 23 6.346 15.643 -2.878 211 1HG LYS 23 2HG LYS 23 8.180 16.991 -2.888 212 2HG LYS 23 3HG LYS 23 8.489 16.771 -1.164 213 1HD LYS 23 2HD LYS 23 8.827 14.237 -2.209 214 2HD LYS 23 3HD LYS 23 9.516 15.288 -3.449 215 1HE LYS 23 2HE LYS 23 10.211 15.504 -0.527 216 2HE LYS 23 3HE LYS 23 11.113 14.500 -1.662 217 1HZ LYS 23 1HZ LYS 23 11.258 17.305 -1.243 218 2HZ LYS 23 2HZ LYS 23 10.908 16.966 -2.863 219 3HZ LYS 23 3HZ LYS 23 12.286 16.303 -2.138 220 H CYS 24 H CYS 24 4.106 15.404 -2.349 221 HA CYS 24 HA CYS 24 3.080 17.985 -3.294 222 1HB CYS 24 2HB CYS 24 1.987 16.709 -5.075 223 2HB CYS 24 3HB CYS 24 3.712 16.363 -5.027 224 H GLY 25 H GLY 25 2.133 15.021 -1.655 225 1HA GLY 25 2HA GLY 25 0.462 15.135 0.086 226 2HA GLY 25 3HA GLY 25 -0.363 16.369 -0.854 227 H GLU 26 H GLU 26 0.919 13.487 -2.342 228 HA GLU 26 HA GLU 26 -1.843 12.594 -2.833 229 1HB GLU 26 2HB GLU 26 -0.775 13.182 -4.893 230 2HB GLU 26 3HB GLU 26 0.669 12.271 -4.474 231 1HG GLU 26 2HG GLU 26 -0.862 11.216 -6.169 232 2HG GLU 26 3HG GLU 26 -0.408 10.208 -4.797 233 H LYS 27 H LYS 27 -2.446 10.542 -2.360 234 HA LYS 27 HA LYS 27 -1.193 9.092 -0.384 235 1HB LYS 27 2HB LYS 27 -2.923 7.878 -2.542 236 2HB LYS 27 3HB LYS 27 -2.691 7.281 -0.904 237 1HG LYS 27 2HG LYS 27 -3.621 9.772 -0.405 238 2HG LYS 27 3HG LYS 27 -4.457 9.395 -1.914 239 1HD LYS 27 2HD LYS 27 -5.052 7.162 -0.791 240 2HD LYS 27 3HD LYS 27 -4.575 7.950 0.715 241 1HE LYS 27 2HE LYS 27 -6.501 9.308 -1.118 242 2HE LYS 27 3HE LYS 27 -7.066 8.003 -0.077 243 1HZ LYS 27 1HZ LYS 27 -6.743 9.229 1.793 244 2HZ LYS 27 2HZ LYS 27 -7.065 10.493 0.717 245 3HZ LYS 27 3HZ LYS 27 -5.468 10.130 1.140 246 H THR 28 H THR 28 0.212 7.379 -0.294 247 HA THR 28 HA THR 28 1.905 7.019 -2.636 248 HB THR 28 HB THR 28 3.183 5.523 -0.883 249 HG1 THR 28 1HG THR 28 2.794 6.589 1.251 250 1HG2 THR 28 1HG2 THR 28 4.621 7.256 -0.691 251 2HG2 THR 28 2HG2 THR 28 3.375 8.359 -0.106 252 3HG2 THR 28 3HG2 THR 28 3.526 8.034 -1.833 253 H VAL 29 H VAL 29 2.612 4.868 -3.286 254 HA VAL 29 HA VAL 29 0.707 2.721 -2.666 255 HB VAL 29 HB VAL 29 0.457 2.101 -4.971 256 1HG1 VAL 29 1HG1 VAL 29 -0.932 3.991 -3.958 257 2HG1 VAL 29 2HG1 VAL 29 0.042 5.074 -4.955 258 3HG1 VAL 29 3HG1 VAL 29 -0.945 3.824 -5.713 259 1HG2 VAL 29 1HG2 VAL 29 2.318 2.511 -6.192 260 2HG2 VAL 29 2HG2 VAL 29 1.435 3.974 -6.626 261 3HG2 VAL 29 3HG2 VAL 29 2.663 4.028 -5.360 262 H ILE 30 H ILE 30 1.498 0.591 -3.059 263 HA ILE 30 HA ILE 30 4.200 0.219 -2.359 264 HB ILE 30 HB ILE 30 2.400 -1.847 -3.621 265 1HG1 ILE 30 2HG1 ILE 30 1.220 -0.819 -1.758 266 2HG1 ILE 30 3HG1 ILE 30 1.754 -2.432 -1.300 267 1HG2 ILE 30 1HG2 ILE 30 3.931 -3.383 -3.060 268 2HG2 ILE 30 2HG2 ILE 30 5.041 -2.017 -2.964 269 3HG2 ILE 30 3HG2 ILE 30 4.262 -2.623 -1.502 270 1HD1 ILE 30 1HD1 ILE 30 3.778 -0.570 -0.584 271 2HD1 ILE 30 2HD1 ILE 30 2.225 0.012 0.018 272 3HD1 ILE 30 3HD1 ILE 30 2.795 -1.599 0.458 273 HA PRO 31 HA PRO 31 5.869 0.817 -6.475 274 1HB PRO 31 2HB PRO 31 8.468 0.650 -5.705 275 2HB PRO 31 3HB PRO 31 7.491 2.107 -5.481 276 1HG PRO 31 2HG PRO 31 8.172 -0.040 -3.508 277 2HG PRO 31 3HG PRO 31 8.151 1.720 -3.285 278 1HD PRO 31 2HD PRO 31 6.134 0.122 -2.444 279 2HD PRO 31 3HD PRO 31 5.864 1.784 -3.006 280 H LYS 32 H LYS 32 5.434 -0.999 -7.636 281 HA LYS 32 HA LYS 32 6.118 -3.621 -6.960 282 1HB LYS 32 2HB LYS 32 5.084 -2.223 -9.300 283 2HB LYS 32 3HB LYS 32 6.105 -3.588 -9.733 284 1HG LYS 32 2HG LYS 32 4.046 -4.582 -9.616 285 2HG LYS 32 3HG LYS 32 4.654 -4.865 -7.983 286 1HD LYS 32 2HD LYS 32 3.475 -2.641 -7.405 287 2HD LYS 32 3HD LYS 32 2.602 -2.889 -8.919 288 1HE LYS 32 2HE LYS 32 2.757 -4.985 -6.767 289 2HE LYS 32 3HE LYS 32 1.492 -3.758 -6.810 290 1HZ LYS 32 1HZ LYS 32 1.952 -6.017 -8.624 291 2HZ LYS 32 2HZ LYS 32 1.221 -4.622 -9.240 292 3HZ LYS 32 3HZ LYS 32 0.504 -5.453 -7.953 293 HA PRO 33 HA PRO 33 10.376 -4.117 -7.899 294 1HB PRO 33 2HB PRO 33 10.436 -6.559 -9.083 295 2HB PRO 33 3HB PRO 33 10.142 -6.336 -7.354 296 1HG PRO 33 2HG PRO 33 8.179 -6.809 -9.564 297 2HG PRO 33 3HG PRO 33 8.229 -7.521 -7.940 298 1HD PRO 33 2HD PRO 33 6.571 -5.480 -8.584 299 2HD PRO 33 3HD PRO 33 7.265 -5.672 -6.961 300 HA PRO 34 HA PRO 34 11.400 -2.994 -12.026 301 1HB PRO 34 2HB PRO 34 13.783 -4.235 -12.411 302 2HB PRO 34 3HB PRO 34 13.589 -2.837 -11.347 303 1HG PRO 34 2HG PRO 34 13.719 -5.745 -10.648 304 2HG PRO 34 3HG PRO 34 14.493 -4.366 -9.847 305 1HD PRO 34 2HD PRO 34 12.231 -5.517 -8.904 306 2HD PRO 34 3HD PRO 34 12.573 -3.785 -8.713 307 H LYS 35 H LYS 35 12.229 -3.957 -14.179 308 HA LYS 35 HA LYS 35 10.672 -6.383 -14.690 309 1HB LYS 35 2HB LYS 35 11.514 -4.041 -16.317 310 2HB LYS 35 3HB LYS 35 11.342 -5.579 -17.153 311 1HG LYS 35 2HG LYS 35 9.305 -4.238 -17.273 312 2HG LYS 35 3HG LYS 35 9.041 -5.756 -16.412 313 1HD LYS 35 2HD LYS 35 7.936 -3.926 -15.257 314 2HD LYS 35 3HD LYS 35 9.257 -4.560 -14.273 315 1HE LYS 35 2HE LYS 35 9.254 -2.136 -14.214 316 2HE LYS 35 3HE LYS 35 10.693 -2.722 -15.048 317 1HZ LYS 35 1HZ LYS 35 9.924 -2.001 -17.072 318 2HZ LYS 35 2HZ LYS 35 9.319 -0.793 -16.055 319 3HZ LYS 35 3HZ LYS 35 8.298 -2.025 -16.605 320 H PHE 36 H PHE 36 11.665 -8.268 -14.903 321 HA PHE 36 HA PHE 36 14.273 -8.409 -16.187 322 1HB PHE 36 2HB PHE 36 14.378 -8.226 -13.545 323 2HB PHE 36 3HB PHE 36 13.993 -9.941 -13.640 324 HD1 PHE 36 1HD PHE 36 15.742 -11.418 -13.692 325 HD2 PHE 36 2HD PHE 36 16.325 -7.482 -15.201 326 HE1 PHE 36 1HE PHE 36 18.114 -11.930 -14.101 327 HE2 PHE 36 2HE PHE 36 18.698 -7.987 -15.613 328 HZ PHE 36 HZ PHE 36 19.595 -10.214 -15.063 329 H SER 37 H SER 37 13.681 -9.685 -17.839 330 HA SER 37 HA SER 37 13.056 -12.430 -17.325 331 1HB SER 37 2HB SER 37 10.823 -11.044 -17.237 332 2HB SER 37 3HB SER 37 10.977 -11.061 -18.993 333 HG SER 37 HG SER 37 10.442 -13.140 -17.229 334 H LEU 38 H LEU 38 12.553 -13.554 -19.533 335 HA LEU 38 HA LEU 38 14.437 -12.432 -21.496 336 1HB LEU 38 2HB LEU 38 15.120 -14.567 -20.558 337 2HB LEU 38 3HB LEU 38 13.580 -15.285 -21.026 338 HG LEU 38 HG LEU 38 15.306 -14.128 -23.159 339 1HD1 LEU 38 1HD1 LEU 38 15.827 -16.740 -21.752 340 2HD1 LEU 38 2HD1 LEU 38 16.931 -15.376 -21.928 341 3HD1 LEU 38 3HD1 LEU 38 16.468 -16.323 -23.342 342 1HD2 LEU 38 1HD2 LEU 38 12.998 -15.835 -22.923 343 2HD2 LEU 38 2HD2 LEU 38 14.276 -16.631 -23.842 344 3HD2 LEU 38 3HD2 LEU 38 13.676 -15.053 -24.350 345 H GLU 39 H GLU 39 11.222 -13.718 -21.036 346 HA GLU 39 HA GLU 39 10.504 -14.007 -23.748 347 1HB GLU 39 2HB GLU 39 9.039 -13.801 -21.167 348 2HB GLU 39 3HB GLU 39 8.124 -13.514 -22.641 349 1HG GLU 39 2HG GLU 39 9.839 -15.938 -22.468 350 2HG GLU 39 3HG GLU 39 8.306 -15.909 -21.596 351 H ASP 40 H ASP 40 10.542 -11.260 -21.579 352 HA ASP 40 HA ASP 40 9.174 -9.563 -23.506 353 1HB ASP 40 2HB ASP 40 10.431 -8.670 -20.915 354 2HB ASP 40 3HB ASP 40 9.128 -7.900 -21.816 355 H ARG 41 H ARG 41 10.416 -9.060 -25.215 356 HA ARG 41 HA ARG 41 13.215 -8.800 -25.187 357 1HB ARG 41 2HB ARG 41 11.968 -9.232 -27.241 358 2HB ARG 41 3HB ARG 41 11.191 -7.660 -27.121 359 1HG ARG 41 2HG ARG 41 13.931 -7.134 -27.039 360 2HG ARG 41 3HG ARG 41 13.720 -8.368 -28.284 361 1HD ARG 41 2HD ARG 41 11.767 -6.160 -28.311 362 2HD ARG 41 3HD ARG 41 13.425 -5.722 -28.717 363 HE ARG 41 HE ARG 41 11.605 -7.269 -30.307 364 1HH1 ARG 41 2HH1 ARG 41 14.959 -6.632 -29.620 365 2HH1 ARG 41 1HH1 ARG 41 15.512 -7.154 -31.177 366 1HH2 ARG 41 2HH2 ARG 41 12.321 -7.959 -32.359 367 2HH2 ARG 41 1HH2 ARG 41 14.010 -7.908 -32.734 368 H TRP 42 H TRP 42 10.992 -6.126 -25.935 369 HA TRP 42 HA TRP 42 12.882 -4.287 -24.667 370 1HB TRP 42 2HB TRP 42 11.989 -2.583 -25.997 371 2HB TRP 42 3HB TRP 42 11.929 -3.991 -27.054 372 HD1 TRP 42 1HD TRP 42 9.249 -5.315 -26.011 373 HE1 TRP 42 1HE TRP 42 6.992 -4.176 -26.490 374 HE3 TRP 42 3HE TRP 42 10.908 -0.554 -26.859 375 HZ2 TRP 42 2HZ TRP 42 6.040 -1.599 -27.141 376 HZ3 TRP 42 3HZ TRP 42 9.259 1.189 -27.404 377 HH2 TRP 42 2HH TRP 42 6.876 0.675 -27.543 378 H GLY 43 H GLY 43 10.798 -6.067 -23.317 379 1HA GLY 43 2HA GLY 43 8.691 -4.582 -22.284 380 2HA GLY 43 3HA GLY 43 9.479 -5.912 -21.446 381 H LYS 44 H LYS 44 12.077 -4.540 -21.398 382 HA LYS 44 HA LYS 44 11.808 -3.235 -18.910 383 1HB LYS 44 2HB LYS 44 14.096 -3.291 -20.884 384 2HB LYS 44 3HB LYS 44 14.208 -2.596 -19.271 385 1HG LYS 44 2HG LYS 44 13.732 -4.764 -18.282 386 2HG LYS 44 3HG LYS 44 13.561 -5.472 -19.890 387 1HD LYS 44 2HD LYS 44 15.900 -4.905 -20.375 388 2HD LYS 44 3HD LYS 44 16.064 -4.221 -18.757 389 1HE LYS 44 2HE LYS 44 16.893 -6.311 -18.372 390 2HE LYS 44 3HE LYS 44 15.187 -6.609 -18.045 391 1HZ LYS 44 1HZ LYS 44 16.393 -8.236 -19.553 392 2HZ LYS 44 2HZ LYS 44 16.341 -7.026 -20.734 393 3HZ LYS 44 3HZ LYS 44 14.902 -7.648 -20.096 394 H TYR 45 H TYR 45 11.455 -2.126 -22.124 395 HA TYR 45 HA TYR 45 12.246 0.521 -22.000 396 1HB TYR 45 2HB TYR 45 11.402 -0.675 -24.032 397 2HB TYR 45 3HB TYR 45 9.768 -0.497 -23.403 398 HD1 TYR 45 1HD TYR 45 12.320 0.991 -25.375 399 HD2 TYR 45 2HD TYR 45 8.968 1.917 -22.922 400 HE1 TYR 45 1HE TYR 45 12.159 3.203 -26.440 401 HE2 TYR 45 2HE TYR 45 8.797 4.130 -23.982 402 HH TYR 45 HH TYR 45 9.514 5.129 -26.285 403 H ARG 46 H ARG 46 9.386 -1.014 -20.686 404 HA ARG 46 HA ARG 46 7.800 1.212 -20.174 405 1HB ARG 46 2HB ARG 46 6.993 -1.071 -19.879 406 2HB ARG 46 3HB ARG 46 8.105 -1.311 -18.536 407 1HG ARG 46 2HG ARG 46 6.820 -0.145 -17.080 408 2HG ARG 46 3HG ARG 46 6.214 0.952 -18.322 409 1HD ARG 46 2HD ARG 46 5.419 -1.936 -18.302 410 2HD ARG 46 3HD ARG 46 4.596 -0.767 -17.269 411 HE ARG 46 HE ARG 46 4.619 0.295 -19.830 412 1HH1 ARG 46 2HH1 ARG 46 3.314 -2.490 -18.199 413 2HH1 ARG 46 1HH1 ARG 46 1.944 -2.627 -19.251 414 1HH2 ARG 46 2HH2 ARG 46 2.820 0.126 -21.222 415 2HH2 ARG 46 1HH2 ARG 46 1.665 -1.138 -20.971 416 H ARG 47 H ARG 47 10.721 0.161 -18.652 417 HA ARG 47 HA ARG 47 10.339 1.831 -16.310 418 1HB ARG 47 2HB ARG 47 11.678 -0.474 -16.627 419 2HB ARG 47 3HB ARG 47 12.995 0.655 -16.919 420 1HG ARG 47 2HG ARG 47 12.286 1.761 -14.723 421 2HG ARG 47 3HG ARG 47 11.357 0.287 -14.439 422 1HD ARG 47 2HD ARG 47 13.218 -0.996 -14.156 423 2HD ARG 47 3HD ARG 47 14.190 -0.020 -15.257 424 HE ARG 47 HE ARG 47 13.798 1.632 -13.154 425 1HH1 ARG 47 2HH1 ARG 47 14.955 -1.639 -13.440 426 2HH1 ARG 47 1HH1 ARG 47 15.989 -1.533 -12.054 427 1HH2 ARG 47 2HH2 ARG 47 15.155 1.783 -11.326 428 2HH2 ARG 47 1HH2 ARG 47 16.101 0.413 -10.852 429 H MET 48 H MET 48 12.319 1.783 -19.240 430 HA MET 48 HA MET 48 13.356 4.443 -18.567 431 1HB MET 48 2HB MET 48 14.220 2.579 -20.784 432 2HB MET 48 3HB MET 48 15.019 4.068 -20.301 433 1HG MET 48 2HG MET 48 14.677 1.731 -18.449 434 2HG MET 48 3HG MET 48 16.070 1.921 -19.511 435 1HE MET 48 1HE MET 48 17.570 2.103 -16.515 436 2HE MET 48 2HE MET 48 16.262 2.711 -15.501 437 3HE MET 48 3HE MET 48 15.957 1.399 -16.641 438 H LEU 49 H LEU 49 10.630 4.125 -19.382 439 HA LEU 49 HA LEU 49 10.249 4.687 -22.119 440 1HB LEU 49 2HB LEU 49 8.018 5.128 -21.587 441 2HB LEU 49 3HB LEU 49 8.533 3.922 -20.410 442 HG LEU 49 HG LEU 49 8.442 6.867 -19.794 443 1HD1 LEU 49 1HD1 LEU 49 6.323 4.866 -19.065 444 2HD1 LEU 49 2HD1 LEU 49 6.209 5.896 -20.492 445 3HD1 LEU 49 3HD1 LEU 49 6.285 6.621 -18.886 446 1HD2 LEU 49 1HD2 LEU 49 8.092 5.651 -17.462 447 2HD2 LEU 49 2HD2 LEU 49 9.696 5.972 -18.119 448 3HD2 LEU 49 3HD2 LEU 49 8.979 4.369 -18.287 449 H LYS 50 H LYS 50 11.149 6.664 -19.419 450 HA LYS 50 HA LYS 50 10.642 9.138 -20.874 451 1HB LYS 50 2HB LYS 50 11.866 8.763 -18.136 452 2HB LYS 50 3HB LYS 50 11.283 10.270 -18.828 453 1HG LYS 50 2HG LYS 50 9.454 7.931 -18.435 454 2HG LYS 50 3HG LYS 50 9.803 9.062 -17.126 455 1HD LYS 50 2HD LYS 50 8.892 10.036 -19.812 456 2HD LYS 50 3HD LYS 50 7.731 9.482 -18.603 457 1HE LYS 50 2HE LYS 50 9.821 11.498 -17.882 458 2HE LYS 50 3HE LYS 50 8.357 12.001 -18.725 459 1HZ LYS 50 1HZ LYS 50 7.753 12.234 -16.540 460 2HZ LYS 50 2HZ LYS 50 8.652 10.901 -16.016 461 3HZ LYS 50 3HZ LYS 50 7.197 10.666 -16.849 462 H ARG 51 H ARG 51 12.177 10.386 -21.801 463 HA ARG 51 HA ARG 51 14.900 9.295 -21.866 464 1HB ARG 51 2HB ARG 51 13.300 10.996 -23.748 465 2HB ARG 51 3HB ARG 51 15.057 11.012 -23.829 466 1HG ARG 51 2HG ARG 51 13.611 8.404 -23.866 467 2HG ARG 51 3HG ARG 51 13.683 9.388 -25.328 468 1HD ARG 51 2HD ARG 51 16.121 8.629 -23.736 469 2HD ARG 51 3HD ARG 51 15.499 7.649 -25.063 470 HE ARG 51 HE ARG 51 17.028 10.033 -25.281 471 1HH1 ARG 51 2HH1 ARG 51 14.457 8.238 -26.794 472 2HH1 ARG 51 1HH1 ARG 51 14.759 8.884 -28.373 473 1HH2 ARG 51 2HH2 ARG 51 17.436 10.891 -27.355 474 2HH2 ARG 51 1HH2 ARG 51 16.455 10.392 -28.691 475 H ALA 52 H ALA 52 13.876 10.889 -19.644 476 HA ALA 52 HA ALA 52 15.067 13.506 -19.891 477 1HB ALA 52 1HB ALA 52 13.807 12.048 -17.577 478 2HB ALA 52 2HB ALA 52 14.483 13.674 -17.453 479 3HB ALA 52 3HB ALA 52 13.123 13.364 -18.532 480 H LEU 53 H LEU 53 15.775 10.528 -18.082 481 HA LEU 53 HA LEU 53 18.296 11.600 -17.143 482 1HB LEU 53 2HB LEU 53 16.524 9.698 -16.203 483 2HB LEU 53 3HB LEU 53 17.892 8.744 -16.776 484 HG LEU 53 HG LEU 53 19.388 9.978 -15.296 485 1HD1 LEU 53 1HD1 LEU 53 18.426 12.129 -15.184 486 2HD1 LEU 53 2HD1 LEU 53 18.310 11.463 -13.555 487 3HD1 LEU 53 3HD1 LEU 53 16.888 11.496 -14.598 488 1HD2 LEU 53 1HD2 LEU 53 18.448 7.983 -14.391 489 2HD2 LEU 53 2HD2 LEU 53 16.936 8.801 -13.999 490 3HD2 LEU 53 3HD2 LEU 53 18.412 9.208 -13.122 491 H LYS 54 H LYS 54 20.295 11.092 -17.879 492 HA LYS 54 HA LYS 54 20.452 9.255 -20.179 493 1HB LYS 54 2HB LYS 54 22.348 10.712 -20.974 494 2HB LYS 54 3HB LYS 54 20.756 11.456 -21.039 495 1HG LYS 54 2HG LYS 54 21.204 12.768 -19.105 496 2HG LYS 54 3HG LYS 54 22.701 11.887 -18.785 497 1HD LYS 54 2HD LYS 54 23.314 13.961 -19.774 498 2HD LYS 54 3HD LYS 54 23.539 12.718 -21.007 499 1HE LYS 54 2HE LYS 54 21.061 13.371 -21.627 500 2HE LYS 54 3HE LYS 54 21.498 14.881 -20.829 501 1HZ LYS 54 1HZ LYS 54 22.669 13.675 -23.255 502 2HZ LYS 54 2HZ LYS 54 23.535 14.811 -22.349 503 3HZ LYS 54 3HZ LYS 54 22.049 15.234 -23.039 504 H ASN 55 H ASN 55 22.076 7.777 -20.207 505 HA ASN 55 HA ASN 55 23.474 7.319 -17.729 506 1HB ASN 55 2HB ASN 55 22.698 5.343 -18.735 507 2HB ASN 55 3HB ASN 55 23.263 5.827 -20.332 508 1HD2 ASN 55 1HD2 ASN 55 25.344 5.428 -20.925 509 2HD2 ASN 55 2HD2 ASN 55 26.446 4.502 -19.969 510 H LYS 56 H LYS 56 25.279 8.379 -17.267 511 HA LYS 56 HA LYS 56 27.082 9.162 -19.448 512 1HB LYS 56 2HB LYS 56 28.022 10.777 -17.922 513 2HB LYS 56 3HB LYS 56 26.270 10.935 -17.907 514 1HG LYS 56 2HG LYS 56 27.161 9.086 -15.881 515 2HG LYS 56 3HG LYS 56 27.951 10.656 -15.713 516 1HD LYS 56 2HD LYS 56 25.085 10.827 -16.274 517 2HD LYS 56 3HD LYS 56 25.467 10.017 -14.753 518 1HE LYS 56 2HE LYS 56 26.555 11.895 -13.893 519 2HE LYS 56 3HE LYS 56 26.753 12.626 -15.485 520 1HZ LYS 56 1HZ LYS 56 24.124 12.240 -14.165 521 2HZ LYS 56 2HZ LYS 56 24.440 13.116 -15.575 522 3HZ LYS 56 3HZ LYS 56 25.014 13.676 -14.086 523 H ASN 57 H ASN 57 26.766 6.983 -16.835 524 HA ASN 57 HA ASN 57 29.631 6.526 -16.595 525 1HB ASN 57 2HB ASN 57 28.946 4.832 -14.886 526 2HB ASN 57 3HB ASN 57 28.384 6.463 -14.533 527 1HD2 ASN 57 1HD2 ASN 57 26.215 6.916 -14.578 528 2HD2 ASN 57 2HD2 ASN 57 25.001 5.692 -14.697 529 H LYS 58 H LYS 58 30.564 4.416 -16.900 530 HA LYS 58 HA LYS 58 29.181 2.874 -18.995 531 1HB LYS 58 2HB LYS 58 32.054 3.587 -18.570 532 2HB LYS 58 3HB LYS 58 31.665 2.085 -19.398 533 1HG LYS 58 2HG LYS 58 32.011 3.746 -21.055 534 2HG LYS 58 3HG LYS 58 30.277 3.419 -20.993 535 1HD LYS 58 2HD LYS 58 29.914 5.415 -19.672 536 2HD LYS 58 3HD LYS 58 31.651 5.717 -19.600 537 1HE LYS 58 2HE LYS 58 30.895 7.147 -21.284 538 2HE LYS 58 3HE LYS 58 31.554 5.766 -22.160 539 1HZ LYS 58 1HZ LYS 58 28.746 5.559 -21.503 540 2HZ LYS 58 2HZ LYS 58 29.548 5.208 -22.949 541 3HZ LYS 58 3HZ LYS 58 29.122 6.803 -22.584 542 H ALA 59 H ALA 59 28.451 0.965 -18.360 543 HA ALA 59 HA ALA 59 29.882 -0.444 -16.201 544 1HB ALA 59 1HB ALA 59 27.142 0.280 -16.421 545 2HB ALA 59 2HB ALA 59 27.260 -1.479 -16.467 546 3HB ALA 59 3HB ALA 59 27.955 -0.584 -15.116 547 H GLU 60 H GLU 60 30.092 -2.711 -16.353 548 HA GLU 60 HA GLU 60 29.969 -3.704 -19.115 549 1HB GLU 60 2HB GLU 60 31.630 -4.591 -16.753 550 2HB GLU 60 3HB GLU 60 31.593 -5.436 -18.294 551 1HG GLU 60 2HG GLU 60 33.439 -4.153 -18.601 552 2HG GLU 60 3HG GLU 60 32.211 -3.059 -19.233 Start of MODEL 17 1 1H GLY -2 H GLY -3 22.547 -3.393 16.456 2 1HA GLY -2 2HA GLY -3 23.252 -0.802 15.710 3 2HA GLY -2 3HA GLY -3 23.853 -1.876 14.455 4 H SER -1 H SER -2 22.393 -2.997 13.144 5 HA SER -1 HA SER -2 19.723 -1.793 13.083 6 1HB SER -1 2HB SER -2 21.163 -1.721 11.034 7 2HB SER -1 3HB SER -2 21.075 -3.481 10.964 8 HG SER -1 HG SER -2 19.333 -1.712 10.027 9 H HIS 0 H HIS -1 17.962 -2.900 13.627 10 HA HIS 0 HA HIS -1 18.192 -5.822 13.921 11 1HB HIS 0 2HB HIS -1 17.880 -4.506 16.043 12 2HB HIS 0 3HB HIS -1 16.306 -4.005 15.430 13 HD1 HIS 0 1HD HIS -1 17.934 -7.447 15.526 14 HD2 HIS 0 2HD HIS -1 14.511 -5.475 16.813 15 HE1 HIS 0 1HE HIS -1 16.506 -9.214 16.605 16 H MET 1 H MET 1 16.403 -3.194 12.557 17 HA MET 1 HA MET 1 13.945 -4.334 12.019 18 1HB MET 1 2HB MET 1 14.895 -1.961 11.487 19 2HB MET 1 3HB MET 1 15.327 -2.674 9.939 20 1HG MET 1 2HG MET 1 13.271 -1.752 9.494 21 2HG MET 1 3HG MET 1 12.854 -3.423 9.869 22 1HE MET 1 1HE MET 1 13.189 0.082 10.871 23 2HE MET 1 2HE MET 1 11.812 0.405 11.925 24 3HE MET 1 3HE MET 1 13.336 -0.162 12.612 25 H VAL 2 H VAL 2 13.361 -6.094 10.946 26 HA VAL 2 HA VAL 2 15.012 -6.986 8.677 27 HB VAL 2 HB VAL 2 14.469 -9.344 9.330 28 1HG1 VAL 2 1HG1 VAL 2 16.437 -9.499 10.410 29 2HG1 VAL 2 2HG1 VAL 2 16.542 -7.769 10.080 30 3HG1 VAL 2 3HG1 VAL 2 15.967 -8.336 11.649 31 1HG2 VAL 2 1HG2 VAL 2 14.028 -8.619 12.133 32 2HG2 VAL 2 2HG2 VAL 2 12.690 -8.209 11.060 33 3HG2 VAL 2 3HG2 VAL 2 13.269 -9.872 11.152 34 H GLU 3 H GLU 3 13.924 -7.881 6.944 35 HA GLU 3 HA GLU 3 12.210 -8.089 5.459 36 1HB GLU 3 2HB GLU 3 10.503 -8.863 7.819 37 2HB GLU 3 3HB GLU 3 10.350 -9.395 6.150 38 1HG GLU 3 2HG GLU 3 12.551 -10.118 8.070 39 2HG GLU 3 3HG GLU 3 11.253 -11.169 7.505 40 H MET 4 H MET 4 12.598 -5.494 6.558 41 HA MET 4 HA MET 4 10.279 -4.220 7.429 42 1HB MET 4 2HB MET 4 11.316 -2.150 6.722 43 2HB MET 4 3HB MET 4 12.535 -3.198 7.437 44 1HG MET 4 2HG MET 4 12.327 -3.585 4.578 45 2HG MET 4 3HG MET 4 12.676 -1.909 4.996 46 1HE MET 4 1HE MET 4 14.748 -1.440 4.254 47 2HE MET 4 2HE MET 4 15.263 -1.145 5.915 48 3HE MET 4 3HE MET 4 16.290 -2.079 4.825 49 H ARG 5 H ARG 5 9.307 -2.350 5.962 50 HA ARG 5 HA ARG 5 8.912 -2.898 3.212 51 1HB ARG 5 2HB ARG 5 6.804 -3.881 3.140 52 2HB ARG 5 3HB ARG 5 7.589 -4.747 4.454 53 1HG ARG 5 2HG ARG 5 5.662 -2.455 4.763 54 2HG ARG 5 3HG ARG 5 5.293 -4.163 5.011 55 1HD ARG 5 2HD ARG 5 7.262 -2.502 6.580 56 2HD ARG 5 3HD ARG 5 5.688 -3.065 7.140 57 HE ARG 5 HE ARG 5 7.220 -5.279 6.348 58 1HH1 ARG 5 2HH1 ARG 5 7.113 -2.849 8.839 59 2HH1 ARG 5 1HH1 ARG 5 7.867 -3.853 10.033 60 1HH2 ARG 5 2HH2 ARG 5 8.214 -6.611 7.910 61 2HH2 ARG 5 1HH2 ARG 5 8.494 -5.992 9.503 62 H MET 6 H MET 6 7.360 -1.429 2.219 63 HA MET 6 HA MET 6 5.967 0.546 3.663 64 1HB MET 6 2HB MET 6 7.345 2.457 3.467 65 2HB MET 6 3HB MET 6 8.379 1.199 4.128 66 1HG MET 6 2HG MET 6 8.886 0.833 1.537 67 2HG MET 6 3HG MET 6 8.463 2.544 1.501 68 1HE MET 6 1HE MET 6 9.442 2.906 4.728 69 2HE MET 6 2HE MET 6 10.992 3.701 4.452 70 3HE MET 6 3HE MET 6 9.569 4.200 3.537 71 H LYS 7 H LYS 7 5.920 2.660 1.980 72 HA LYS 7 HA LYS 7 5.344 1.508 -0.669 73 1HB LYS 7 2HB LYS 7 3.396 3.099 -0.781 74 2HB LYS 7 3HB LYS 7 3.214 1.782 0.369 75 1HG LYS 7 2HG LYS 7 4.343 3.775 1.888 76 2HG LYS 7 3HG LYS 7 3.257 4.653 0.810 77 1HD LYS 7 2HD LYS 7 2.500 2.306 2.550 78 2HD LYS 7 3HD LYS 7 2.130 3.999 2.883 79 1HE LYS 7 2HE LYS 7 0.772 4.123 0.876 80 2HE LYS 7 3HE LYS 7 1.200 2.465 0.456 81 1HZ LYS 7 1HZ LYS 7 -0.459 1.737 1.701 82 2HZ LYS 7 2HZ LYS 7 -0.915 3.329 2.042 83 3HZ LYS 7 3HZ LYS 7 0.158 2.521 3.069 84 H LYS 8 H LYS 8 4.859 3.460 -2.247 85 HA LYS 8 HA LYS 8 6.620 5.725 -1.728 86 1HB LYS 8 2HB LYS 8 8.000 3.922 -2.797 87 2HB LYS 8 3HB LYS 8 6.947 4.022 -4.202 88 1HG LYS 8 2HG LYS 8 7.573 6.465 -4.340 89 2HG LYS 8 3HG LYS 8 8.817 6.118 -3.138 90 1HD LYS 8 2HD LYS 8 9.927 5.925 -5.189 91 2HD LYS 8 3HD LYS 8 9.571 4.258 -4.733 92 1HE LYS 8 2HE LYS 8 8.053 3.983 -6.401 93 2HE LYS 8 3HE LYS 8 7.538 5.668 -6.358 94 1HZ LYS 8 1HZ LYS 8 9.368 6.326 -7.635 95 2HZ LYS 8 2HZ LYS 8 8.814 4.917 -8.388 96 3HZ LYS 8 3HZ LYS 8 10.188 4.864 -7.401 97 H CYS 9 H CYS 9 6.195 7.541 -3.018 98 HA CYS 9 HA CYS 9 3.502 7.744 -3.935 99 1HB CYS 9 2HB CYS 9 4.734 9.615 -2.858 100 2HB CYS 9 3HB CYS 9 5.772 9.715 -4.277 101 HA PRO 10 HA PRO 10 4.399 6.268 -8.054 102 1HB PRO 10 2HB PRO 10 1.844 6.453 -8.956 103 2HB PRO 10 3HB PRO 10 2.405 5.133 -7.922 104 1HG PRO 10 2HG PRO 10 0.896 7.610 -7.181 105 2HG PRO 10 3HG PRO 10 0.649 5.942 -6.630 106 1HD PRO 10 2HD PRO 10 1.951 7.791 -5.141 107 2HD PRO 10 3HD PRO 10 2.361 6.063 -5.092 108 H LYS 11 H LYS 11 3.479 9.338 -7.024 109 HA LYS 11 HA LYS 11 3.303 10.441 -9.726 110 1HB LYS 11 2HB LYS 11 2.354 11.234 -7.094 111 2HB LYS 11 3HB LYS 11 3.175 12.554 -7.918 112 1HG LYS 11 2HG LYS 11 0.852 12.691 -8.424 113 2HG LYS 11 3HG LYS 11 1.697 12.162 -9.881 114 1HD LYS 11 2HD LYS 11 1.106 9.805 -9.251 115 2HD LYS 11 3HD LYS 11 0.091 10.472 -7.969 116 1HE LYS 11 2HE LYS 11 -0.205 11.202 -10.875 117 2HE LYS 11 3HE LYS 11 -1.101 9.892 -10.109 118 1HZ LYS 11 1HZ LYS 11 -2.354 11.983 -10.188 119 2HZ LYS 11 2HZ LYS 11 -1.174 12.729 -9.235 120 3HZ LYS 11 3HZ LYS 11 -2.094 11.460 -8.599 121 H CYS 12 H CYS 12 5.244 10.757 -6.774 122 HA CYS 12 HA CYS 12 7.271 12.217 -8.326 123 1HB CYS 12 2HB CYS 12 7.201 11.962 -5.324 124 2HB CYS 12 3HB CYS 12 8.069 13.144 -6.297 125 H GLY 13 H GLY 13 7.082 9.779 -5.723 126 1HA GLY 13 2HA GLY 13 8.171 7.605 -6.212 127 2HA GLY 13 3HA GLY 13 9.498 8.537 -6.886 128 H LEU 14 H LEU 14 7.838 9.499 -3.967 129 HA LEU 14 HA LEU 14 10.339 9.155 -2.493 130 1HB LEU 14 2HB LEU 14 9.604 11.298 -2.125 131 2HB LEU 14 3HB LEU 14 7.904 10.837 -2.167 132 HG LEU 14 HG LEU 14 8.150 9.842 0.081 133 1HD1 LEU 14 1HD1 LEU 14 10.095 9.900 1.310 134 2HD1 LEU 14 2HD1 LEU 14 10.792 11.204 0.350 135 3HD1 LEU 14 3HD1 LEU 14 10.710 9.571 -0.308 136 1HD2 LEU 14 1HD2 LEU 14 7.351 12.138 -0.189 137 2HD2 LEU 14 2HD2 LEU 14 9.011 12.728 -0.116 138 3HD2 LEU 14 3HD2 LEU 14 8.288 11.952 1.294 139 H TYR 15 H TYR 15 10.609 7.683 -0.933 140 HA TYR 15 HA TYR 15 8.508 5.757 -0.463 141 1HB TYR 15 2HB TYR 15 11.403 5.954 0.311 142 2HB TYR 15 3HB TYR 15 10.355 4.766 1.076 143 HD1 TYR 15 1HD TYR 15 9.623 2.815 -0.106 144 HD2 TYR 15 2HD TYR 15 11.872 5.820 -2.111 145 HE1 TYR 15 1HE TYR 15 9.970 1.284 -2.000 146 HE2 TYR 15 2HE TYR 15 12.225 4.298 -4.010 147 HH TYR 15 HH TYR 15 10.544 1.861 -4.751 148 H THR 16 H THR 16 7.543 5.283 1.506 149 HA THR 16 HA THR 16 8.163 6.538 3.952 150 HB THR 16 HB THR 16 7.285 8.540 2.767 151 HG1 THR 16 1HG THR 16 6.277 9.189 4.567 152 1HG2 THR 16 1HG2 THR 16 5.273 6.716 1.941 153 2HG2 THR 16 2HG2 THR 16 5.453 8.417 1.507 154 3HG2 THR 16 3HG2 THR 16 4.500 7.962 2.919 155 H LEU 17 H LEU 17 6.025 6.462 5.423 156 HA LEU 17 HA LEU 17 4.596 3.967 4.798 157 1HB LEU 17 2HB LEU 17 6.023 4.735 7.321 158 2HB LEU 17 3HB LEU 17 4.700 3.570 7.338 159 HG LEU 17 HG LEU 17 6.961 3.093 5.465 160 1HD1 LEU 17 1HD1 LEU 17 8.444 3.302 7.139 161 2HD1 LEU 17 2HD1 LEU 17 7.803 1.740 7.650 162 3HD1 LEU 17 3HD1 LEU 17 7.203 3.223 8.391 163 1HD2 LEU 17 1HD2 LEU 17 4.981 1.475 7.023 164 2HD2 LEU 17 2HD2 LEU 17 6.452 0.733 6.392 165 3HD2 LEU 17 3HD2 LEU 17 5.299 1.484 5.288 166 H LYS 18 H LYS 18 4.276 7.150 5.254 167 HA LYS 18 HA LYS 18 2.024 7.197 7.049 168 1HB LYS 18 2HB LYS 18 3.262 9.281 5.252 169 2HB LYS 18 3HB LYS 18 1.846 9.595 6.248 170 1HG LYS 18 2HG LYS 18 4.354 8.529 7.478 171 2HG LYS 18 3HG LYS 18 4.182 10.250 7.126 172 1HD LYS 18 2HD LYS 18 2.667 10.569 8.774 173 2HD LYS 18 3HD LYS 18 1.907 8.995 8.520 174 1HE LYS 18 2HE LYS 18 2.904 8.401 10.431 175 2HE LYS 18 3HE LYS 18 4.382 8.309 9.475 176 1HZ LYS 18 1HZ LYS 18 3.616 10.909 10.583 177 2HZ LYS 18 2HZ LYS 18 5.155 10.263 10.312 178 3HZ LYS 18 3HZ LYS 18 4.247 9.751 11.644 179 H GLU 19 H GLU 19 2.365 6.103 3.982 180 HA GLU 19 HA GLU 19 0.896 5.535 2.339 181 1HB GLU 19 2HB GLU 19 -1.270 6.490 4.214 182 2HB GLU 19 3HB GLU 19 -1.454 5.390 2.856 183 1HG GLU 19 2HG GLU 19 0.377 4.045 4.281 184 2HG GLU 19 3HG GLU 19 -0.462 4.888 5.582 185 H ILE 20 H ILE 20 1.657 8.512 3.147 186 HA ILE 20 HA ILE 20 0.249 9.664 0.862 187 HB ILE 20 HB ILE 20 0.306 10.977 3.582 188 1HG1 ILE 20 2HG1 ILE 20 -1.404 9.170 3.236 189 2HG1 ILE 20 3HG1 ILE 20 -2.085 10.757 3.572 190 1HG2 ILE 20 1HG2 ILE 20 -1.161 12.676 2.323 191 2HG2 ILE 20 2HG2 ILE 20 0.584 12.735 2.083 192 3HG2 ILE 20 3HG2 ILE 20 -0.449 11.987 0.864 193 1HD1 ILE 20 1HD1 ILE 20 -2.691 9.052 1.449 194 2HD1 ILE 20 2HD1 ILE 20 -3.239 10.711 1.688 195 3HD1 ILE 20 3HD1 ILE 20 -1.783 10.389 0.745 196 H CYS 21 H CYS 21 1.388 11.240 -0.218 197 HA CYS 21 HA CYS 21 4.216 11.355 0.362 198 1HB CYS 21 2HB CYS 21 3.441 11.082 -1.953 199 2HB CYS 21 3HB CYS 21 2.609 12.630 -1.863 200 HA PRO 22 HA PRO 22 3.633 15.094 2.760 201 1HB PRO 22 2HB PRO 22 6.225 15.282 3.545 202 2HB PRO 22 3HB PRO 22 5.072 14.169 4.294 203 1HG PRO 22 2HG PRO 22 7.152 13.625 2.210 204 2HG PRO 22 3HG PRO 22 6.721 12.667 3.637 205 1HD PRO 22 2HD PRO 22 5.850 12.046 1.149 206 2HD PRO 22 3HD PRO 22 4.888 11.722 2.605 207 H LYS 23 H LYS 23 5.291 14.579 -0.120 208 HA LYS 23 HA LYS 23 6.488 17.217 -0.279 209 1HB LYS 23 2HB LYS 23 6.944 14.744 -1.535 210 2HB LYS 23 3HB LYS 23 6.369 15.819 -2.802 211 1HG LYS 23 2HG LYS 23 8.774 15.886 -2.692 212 2HG LYS 23 3HG LYS 23 8.110 17.443 -2.191 213 1HD LYS 23 2HD LYS 23 8.599 17.052 0.066 214 2HD LYS 23 3HD LYS 23 8.800 15.317 -0.186 215 1HE LYS 23 2HE LYS 23 10.617 17.412 -1.364 216 2HE LYS 23 3HE LYS 23 10.931 16.586 0.161 217 1HZ LYS 23 1HZ LYS 23 11.865 15.715 -2.142 218 2HZ LYS 23 2HZ LYS 23 10.377 14.911 -2.161 219 3HZ LYS 23 3HZ LYS 23 11.455 14.664 -0.881 220 H CYS 24 H CYS 24 4.144 15.429 -2.295 221 HA CYS 24 HA CYS 24 3.012 17.996 -3.143 222 1HB CYS 24 2HB CYS 24 1.936 16.725 -4.941 223 2HB CYS 24 3HB CYS 24 3.673 16.438 -4.923 224 H GLY 25 H GLY 25 2.166 14.958 -1.579 225 1HA GLY 25 2HA GLY 25 0.512 14.924 0.163 226 2HA GLY 25 3HA GLY 25 -0.329 16.226 -0.665 227 H GLU 26 H GLU 26 0.921 13.420 -2.338 228 HA GLU 26 HA GLU 26 -1.851 12.621 -2.913 229 1HB GLU 26 2HB GLU 26 -0.701 13.254 -4.917 230 2HB GLU 26 3HB GLU 26 0.693 12.268 -4.497 231 1HG GLU 26 2HG GLU 26 -0.811 11.335 -6.273 232 2HG GLU 26 3HG GLU 26 -0.473 10.263 -4.916 233 H LYS 27 H LYS 27 -2.523 10.551 -2.591 234 HA LYS 27 HA LYS 27 -1.407 8.993 -0.614 235 1HB LYS 27 2HB LYS 27 -3.731 8.873 -1.811 236 2HB LYS 27 3HB LYS 27 -2.933 7.695 -2.845 237 1HG LYS 27 2HG LYS 27 -2.530 7.231 0.013 238 2HG LYS 27 3HG LYS 27 -4.213 7.131 -0.509 239 1HD LYS 27 2HD LYS 27 -2.170 5.755 -2.166 240 2HD LYS 27 3HD LYS 27 -2.575 5.041 -0.604 241 1HE LYS 27 2HE LYS 27 -4.190 4.024 -1.812 242 2HE LYS 27 3HE LYS 27 -5.046 5.539 -1.532 243 1HZ LYS 27 1HZ LYS 27 -4.662 4.481 -3.944 244 2HZ LYS 27 2HZ LYS 27 -3.307 5.490 -3.855 245 3HZ LYS 27 3HZ LYS 27 -4.859 6.139 -3.676 246 H THR 28 H THR 28 0.068 7.381 -0.497 247 HA THR 28 HA THR 28 1.784 6.998 -2.818 248 HB THR 28 HB THR 28 3.075 5.563 -1.027 249 HG1 THR 28 1HG THR 28 1.104 6.035 0.429 250 1HG2 THR 28 1HG2 THR 28 3.391 8.291 -0.156 251 2HG2 THR 28 2HG2 THR 28 3.199 8.221 -1.908 252 3HG2 THR 28 3HG2 THR 28 4.477 7.294 -1.122 253 H VAL 29 H VAL 29 2.570 4.817 -3.353 254 HA VAL 29 HA VAL 29 0.686 2.663 -2.716 255 HB VAL 29 HB VAL 29 0.488 1.973 -5.020 256 1HG1 VAL 29 1HG1 VAL 29 -0.973 3.837 -4.006 257 2HG1 VAL 29 2HG1 VAL 29 -0.083 4.914 -5.085 258 3HG1 VAL 29 3HG1 VAL 29 -1.028 3.581 -5.751 259 1HG2 VAL 29 1HG2 VAL 29 2.661 3.892 -5.395 260 2HG2 VAL 29 2HG2 VAL 29 2.231 2.467 -6.340 261 3HG2 VAL 29 3HG2 VAL 29 1.398 3.996 -6.621 262 H ILE 30 H ILE 30 1.519 0.537 -3.070 263 HA ILE 30 HA ILE 30 4.221 0.230 -2.343 264 HB ILE 30 HB ILE 30 2.468 -1.891 -3.582 265 1HG1 ILE 30 2HG1 ILE 30 1.256 -0.867 -1.744 266 2HG1 ILE 30 3HG1 ILE 30 1.836 -2.453 -1.247 267 1HG2 ILE 30 1HG2 ILE 30 4.167 -3.266 -3.204 268 2HG2 ILE 30 2HG2 ILE 30 5.136 -1.902 -2.651 269 3HG2 ILE 30 3HG2 ILE 30 4.170 -2.822 -1.498 270 1HD1 ILE 30 1HD1 ILE 30 2.796 -1.531 0.512 271 2HD1 ILE 30 2HD1 ILE 30 3.819 -0.566 -0.552 272 3HD1 ILE 30 3HD1 ILE 30 2.262 0.064 -0.018 273 HA PRO 31 HA PRO 31 5.909 0.794 -6.457 274 1HB PRO 31 2HB PRO 31 8.504 0.702 -5.664 275 2HB PRO 31 3HB PRO 31 7.491 2.140 -5.475 276 1HG PRO 31 2HG PRO 31 8.207 0.047 -3.457 277 2HG PRO 31 3HG PRO 31 8.143 1.809 -3.268 278 1HD PRO 31 2HD PRO 31 6.156 0.181 -2.413 279 2HD PRO 31 3HD PRO 31 5.853 1.825 -3.007 280 H LYS 32 H LYS 32 5.884 -0.883 -7.811 281 HA LYS 32 HA LYS 32 7.471 -3.263 -7.125 282 1HB LYS 32 2HB LYS 32 4.874 -3.417 -8.644 283 2HB LYS 32 3HB LYS 32 5.797 -4.735 -7.932 284 1HG LYS 32 2HG LYS 32 5.278 -3.817 -5.688 285 2HG LYS 32 3HG LYS 32 4.249 -2.610 -6.463 286 1HD LYS 32 2HD LYS 32 3.891 -5.588 -6.770 287 2HD LYS 32 3HD LYS 32 3.022 -4.603 -5.592 288 1HE LYS 32 2HE LYS 32 2.975 -4.139 -8.570 289 2HE LYS 32 3HE LYS 32 1.749 -5.046 -7.686 290 1HZ LYS 32 1HZ LYS 32 2.030 -2.648 -6.351 291 2HZ LYS 32 2HZ LYS 32 0.735 -3.124 -7.329 292 3HZ LYS 32 3HZ LYS 32 2.016 -2.242 -7.994 293 HA PRO 33 HA PRO 33 8.755 -1.528 -11.227 294 1HB PRO 33 2HB PRO 33 11.416 -1.795 -10.762 295 2HB PRO 33 3HB PRO 33 10.492 -0.373 -10.263 296 1HG PRO 33 2HG PRO 33 11.342 -2.745 -8.646 297 2HG PRO 33 3HG PRO 33 11.373 -1.026 -8.212 298 1HD PRO 33 2HD PRO 33 9.429 -2.708 -7.361 299 2HD PRO 33 3HD PRO 33 9.129 -0.989 -7.687 300 HA PRO 34 HA PRO 34 9.543 -5.373 -13.211 301 1HB PRO 34 2HB PRO 34 11.315 -4.694 -15.152 302 2HB PRO 34 3HB PRO 34 9.610 -4.232 -15.205 303 1HG PRO 34 2HG PRO 34 11.984 -2.620 -14.353 304 2HG PRO 34 3HG PRO 34 10.603 -2.134 -15.354 305 1HD PRO 34 2HD PRO 34 10.795 -1.500 -12.729 306 2HD PRO 34 3HD PRO 34 9.238 -1.797 -13.528 307 H LYS 35 H LYS 35 11.471 -6.736 -14.143 308 HA LYS 35 HA LYS 35 13.277 -7.168 -11.945 309 1HB LYS 35 2HB LYS 35 12.256 -9.047 -13.176 310 2HB LYS 35 3HB LYS 35 13.113 -8.551 -14.630 311 1HG LYS 35 2HG LYS 35 14.546 -10.149 -13.924 312 2HG LYS 35 3HG LYS 35 15.203 -8.793 -13.004 313 1HD LYS 35 2HD LYS 35 13.006 -10.313 -11.734 314 2HD LYS 35 3HD LYS 35 14.551 -11.149 -11.895 315 1HE LYS 35 2HE LYS 35 14.540 -8.365 -10.841 316 2HE LYS 35 3HE LYS 35 13.998 -9.667 -9.783 317 1HZ LYS 35 1HZ LYS 35 16.187 -9.769 -9.322 318 2HZ LYS 35 2HZ LYS 35 16.661 -9.086 -10.794 319 3HZ LYS 35 3HZ LYS 35 16.240 -10.723 -10.718 320 H PHE 36 H PHE 36 15.292 -6.442 -11.744 321 HA PHE 36 HA PHE 36 16.408 -4.553 -13.466 322 1HB PHE 36 2HB PHE 36 17.497 -6.220 -11.226 323 2HB PHE 36 3HB PHE 36 18.595 -5.243 -12.195 324 HD1 PHE 36 1HD PHE 36 15.261 -4.814 -10.565 325 HD2 PHE 36 2HD PHE 36 19.136 -3.211 -11.299 326 HE1 PHE 36 1HE PHE 36 14.702 -2.846 -9.198 327 HE2 PHE 36 2HE PHE 36 18.583 -1.241 -9.933 328 HZ PHE 36 HZ PHE 36 16.364 -1.056 -8.880 329 H SER 37 H SER 37 16.724 -5.065 -15.561 330 HA SER 37 HA SER 37 18.552 -7.304 -16.127 331 1HB SER 37 2HB SER 37 16.480 -6.483 -18.132 332 2HB SER 37 3HB SER 37 17.289 -8.038 -17.934 333 HG SER 37 HG SER 37 15.033 -7.927 -17.230 334 H LEU 38 H LEU 38 20.420 -6.412 -16.707 335 HA LEU 38 HA LEU 38 20.692 -3.805 -17.769 336 1HB LEU 38 2HB LEU 38 22.497 -6.132 -17.344 337 2HB LEU 38 3HB LEU 38 23.041 -4.837 -18.408 338 HG LEU 38 HG LEU 38 23.920 -4.549 -16.160 339 1HD1 LEU 38 1HD1 LEU 38 22.645 -2.632 -17.684 340 2HD1 LEU 38 2HD1 LEU 38 23.760 -2.338 -16.351 341 3HD1 LEU 38 3HD1 LEU 38 22.020 -2.360 -16.058 342 1HD2 LEU 38 1HD2 LEU 38 21.133 -4.106 -15.151 343 2HD2 LEU 38 2HD2 LEU 38 22.618 -4.372 -14.238 344 3HD2 LEU 38 3HD2 LEU 38 21.871 -5.707 -15.118 345 H GLU 39 H GLU 39 20.269 -6.940 -19.221 346 HA GLU 39 HA GLU 39 20.660 -5.761 -21.890 347 1HB GLU 39 2HB GLU 39 20.970 -8.540 -20.822 348 2HB GLU 39 3HB GLU 39 20.584 -8.310 -22.522 349 1HG GLU 39 2HG GLU 39 22.589 -7.114 -22.909 350 2HG GLU 39 3HG GLU 39 22.920 -6.980 -21.183 351 H ASP 40 H ASP 40 18.429 -7.502 -19.829 352 HA ASP 40 HA ASP 40 16.222 -8.031 -20.033 353 1HB ASP 40 2HB ASP 40 16.370 -5.421 -20.380 354 2HB ASP 40 3HB ASP 40 15.866 -5.823 -22.019 355 H ARG 41 H ARG 41 17.902 -9.496 -21.715 356 HA ARG 41 HA ARG 41 17.126 -9.584 -24.403 357 1HB ARG 41 2HB ARG 41 18.009 -11.912 -24.365 358 2HB ARG 41 3HB ARG 41 19.112 -10.730 -23.672 359 1HG ARG 41 2HG ARG 41 18.118 -11.414 -21.412 360 2HG ARG 41 3HG ARG 41 17.470 -12.809 -22.276 361 1HD ARG 41 2HD ARG 41 19.694 -13.475 -22.944 362 2HD ARG 41 3HD ARG 41 20.381 -12.023 -22.218 363 HE ARG 41 HE ARG 41 18.979 -13.431 -20.245 364 1HH1 ARG 41 2HH1 ARG 41 21.829 -13.744 -22.219 365 2HH1 ARG 41 1HH1 ARG 41 22.681 -14.714 -21.065 366 1HH2 ARG 41 2HH2 ARG 41 20.091 -14.707 -18.716 367 2HH2 ARG 41 1HH2 ARG 41 21.691 -15.263 -19.073 368 H TRP 42 H TRP 42 15.848 -11.282 -21.569 369 HA TRP 42 HA TRP 42 13.657 -12.326 -23.227 370 1HB TRP 42 2HB TRP 42 14.698 -13.151 -20.514 371 2HB TRP 42 3HB TRP 42 13.201 -13.775 -21.199 372 HD1 TRP 42 1HD TRP 42 16.484 -14.962 -20.734 373 HE1 TRP 42 1HE TRP 42 17.246 -16.594 -22.573 374 HE3 TRP 42 3HE TRP 42 12.973 -13.877 -24.288 375 HZ2 TRP 42 2HZ TRP 42 16.462 -17.325 -25.184 376 HZ3 TRP 42 3HZ TRP 42 13.049 -15.087 -26.430 377 HH2 TRP 42 2HH TRP 42 14.759 -16.774 -26.866 378 H GLY 43 H GLY 43 14.022 -9.550 -22.023 379 1HA GLY 43 2HA GLY 43 12.316 -9.069 -19.904 380 2HA GLY 43 3HA GLY 43 12.601 -7.936 -21.217 381 H LYS 44 H LYS 44 11.508 -9.790 -23.228 382 HA LYS 44 HA LYS 44 8.712 -9.106 -22.836 383 1HB LYS 44 2HB LYS 44 10.128 -10.333 -25.211 384 2HB LYS 44 3HB LYS 44 8.449 -9.810 -25.187 385 1HG LYS 44 2HG LYS 44 8.993 -7.586 -25.225 386 2HG LYS 44 3HG LYS 44 10.571 -7.847 -24.477 387 1HD LYS 44 2HD LYS 44 10.073 -9.015 -27.168 388 2HD LYS 44 3HD LYS 44 10.332 -7.274 -27.048 389 1HE LYS 44 2HE LYS 44 12.494 -7.523 -26.252 390 2HE LYS 44 3HE LYS 44 12.205 -9.168 -25.688 391 1HZ LYS 44 1HZ LYS 44 12.338 -10.005 -27.848 392 2HZ LYS 44 2HZ LYS 44 13.604 -8.886 -27.764 393 3HZ LYS 44 3HZ LYS 44 12.170 -8.481 -28.564 394 H TYR 45 H TYR 45 10.768 -11.917 -22.886 395 HA TYR 45 HA TYR 45 8.964 -13.958 -23.334 396 1HB TYR 45 2HB TYR 45 11.529 -14.018 -22.876 397 2HB TYR 45 3HB TYR 45 11.054 -14.223 -21.195 398 HD1 TYR 45 1HD TYR 45 11.344 -15.806 -24.441 399 HD2 TYR 45 2HD TYR 45 9.745 -16.228 -20.520 400 HE1 TYR 45 1HE TYR 45 11.054 -18.218 -24.826 401 HE2 TYR 45 2HE TYR 45 9.452 -18.641 -20.893 402 HH TYR 45 HH TYR 45 10.583 -20.193 -23.859 403 H ARG 46 H ARG 46 9.405 -11.981 -20.489 404 HA ARG 46 HA ARG 46 8.077 -13.533 -18.590 405 1HB ARG 46 2HB ARG 46 8.663 -10.636 -18.917 406 2HB ARG 46 3HB ARG 46 7.433 -11.081 -17.739 407 1HG ARG 46 2HG ARG 46 9.314 -11.058 -16.435 408 2HG ARG 46 3HG ARG 46 9.249 -12.758 -16.904 409 1HD ARG 46 2HD ARG 46 10.756 -12.061 -18.865 410 2HD ARG 46 3HD ARG 46 11.036 -10.583 -17.945 411 HE ARG 46 HE ARG 46 11.480 -12.850 -16.315 412 1HH1 ARG 46 2HH1 ARG 46 12.892 -11.053 -18.942 413 2HH1 ARG 46 1HH1 ARG 46 14.517 -11.504 -18.550 414 1HH2 ARG 46 2HH2 ARG 46 13.617 -13.451 -15.788 415 2HH2 ARG 46 1HH2 ARG 46 14.929 -12.868 -16.757 416 H ARG 47 H ARG 47 6.684 -10.724 -20.296 417 HA ARG 47 HA ARG 47 4.042 -11.182 -19.586 418 1HB ARG 47 2HB ARG 47 5.318 -9.250 -20.984 419 2HB ARG 47 3HB ARG 47 4.492 -10.082 -22.295 420 1HG ARG 47 2HG ARG 47 2.357 -9.731 -21.228 421 2HG ARG 47 3HG ARG 47 3.146 -9.006 -19.827 422 1HD ARG 47 2HD ARG 47 3.968 -7.183 -21.208 423 2HD ARG 47 3HD ARG 47 3.258 -7.925 -22.641 424 HE ARG 47 HE ARG 47 1.273 -7.495 -20.674 425 1HH1 ARG 47 2HH1 ARG 47 3.252 -5.793 -22.978 426 2HH1 ARG 47 1HH1 ARG 47 2.120 -4.498 -23.190 427 1HH2 ARG 47 2HH2 ARG 47 -0.225 -5.797 -20.945 428 2HH2 ARG 47 1HH2 ARG 47 0.142 -4.502 -22.032 429 H MET 48 H MET 48 5.895 -12.442 -22.312 430 HA MET 48 HA MET 48 3.763 -13.641 -23.698 431 1HB MET 48 2HB MET 48 6.686 -14.397 -23.593 432 2HB MET 48 3HB MET 48 5.530 -15.055 -24.742 433 1HG MET 48 2HG MET 48 6.232 -12.141 -24.491 434 2HG MET 48 3HG MET 48 6.924 -13.250 -25.673 435 1HE MET 48 1HE MET 48 5.464 -10.607 -27.004 436 2HE MET 48 2HE MET 48 3.753 -10.537 -26.584 437 3HE MET 48 3HE MET 48 4.976 -10.510 -25.312 438 H LEU 49 H LEU 49 5.489 -14.576 -20.850 439 HA LEU 49 HA LEU 49 4.675 -17.341 -20.949 440 1HB LEU 49 2HB LEU 49 6.750 -16.225 -19.793 441 2HB LEU 49 3HB LEU 49 5.625 -16.012 -18.454 442 HG LEU 49 HG LEU 49 5.873 -18.733 -19.616 443 1HD1 LEU 49 1HD1 LEU 49 8.119 -17.234 -18.528 444 2HD1 LEU 49 2HD1 LEU 49 8.091 -18.770 -19.394 445 3HD1 LEU 49 3HD1 LEU 49 7.795 -18.733 -17.656 446 1HD2 LEU 49 1HD2 LEU 49 5.998 -18.272 -16.726 447 2HD2 LEU 49 2HD2 LEU 49 4.974 -19.362 -17.660 448 3HD2 LEU 49 3HD2 LEU 49 4.538 -17.660 -17.501 449 H LYS 50 H LYS 50 3.355 -14.379 -19.833 450 HA LYS 50 HA LYS 50 1.109 -15.849 -18.638 451 1HB LYS 50 2HB LYS 50 0.951 -13.894 -16.982 452 2HB LYS 50 3HB LYS 50 2.204 -15.097 -16.705 453 1HG LYS 50 2HG LYS 50 3.774 -13.544 -16.781 454 2HG LYS 50 3HG LYS 50 3.233 -13.018 -18.376 455 1HD LYS 50 2HD LYS 50 2.185 -11.222 -17.543 456 2HD LYS 50 3HD LYS 50 1.475 -12.145 -16.217 457 1HE LYS 50 2HE LYS 50 2.847 -10.828 -14.986 458 2HE LYS 50 3HE LYS 50 4.012 -12.090 -15.382 459 1HZ LYS 50 1HZ LYS 50 3.925 -10.136 -17.431 460 2HZ LYS 50 2HZ LYS 50 5.238 -10.634 -16.490 461 3HZ LYS 50 3HZ LYS 50 4.223 -9.398 -15.940 462 H ARG 51 H ARG 51 -0.441 -15.494 -20.113 463 HA ARG 51 HA ARG 51 -0.862 -12.728 -21.034 464 1HB ARG 51 2HB ARG 51 -2.205 -13.908 -22.889 465 2HB ARG 51 3HB ARG 51 -0.449 -13.984 -22.961 466 1HG ARG 51 2HG ARG 51 -0.384 -16.215 -22.523 467 2HG ARG 51 3HG ARG 51 -1.862 -16.179 -21.559 468 1HD ARG 51 2HD ARG 51 -3.214 -16.012 -23.537 469 2HD ARG 51 3HD ARG 51 -1.783 -15.834 -24.552 470 HE ARG 51 HE ARG 51 -2.922 -18.269 -23.621 471 1HH1 ARG 51 2HH1 ARG 51 0.103 -16.731 -24.399 472 2HH1 ARG 51 1HH1 ARG 51 0.909 -18.216 -24.782 473 1HH2 ARG 51 2HH2 ARG 51 -1.872 -20.230 -24.123 474 2HH2 ARG 51 1HH2 ARG 51 -0.215 -20.206 -24.626 475 H ALA 52 H ALA 52 -2.276 -15.485 -19.476 476 HA ALA 52 HA ALA 52 -4.945 -14.308 -19.507 477 1HB ALA 52 1HB ALA 52 -4.298 -16.799 -18.003 478 2HB ALA 52 2HB ALA 52 -5.764 -16.360 -18.881 479 3HB ALA 52 3HB ALA 52 -4.316 -16.840 -19.766 480 H LEU 53 H LEU 53 -2.717 -15.582 -17.023 481 HA LEU 53 HA LEU 53 -4.107 -14.328 -14.881 482 1HB LEU 53 2HB LEU 53 -2.915 -16.239 -14.287 483 2HB LEU 53 3HB LEU 53 -1.472 -15.721 -15.153 484 HG LEU 53 HG LEU 53 -0.984 -14.086 -13.435 485 1HD1 LEU 53 1HD1 LEU 53 -3.744 -14.551 -12.727 486 2HD1 LEU 53 2HD1 LEU 53 -2.672 -13.225 -12.278 487 3HD1 LEU 53 3HD1 LEU 53 -2.682 -14.711 -11.328 488 1HD2 LEU 53 1HD2 LEU 53 -0.439 -16.613 -13.218 489 2HD2 LEU 53 2HD2 LEU 53 -1.638 -16.584 -11.925 490 3HD2 LEU 53 3HD2 LEU 53 -0.209 -15.555 -11.825 491 H LYS 54 H LYS 54 -4.080 -12.251 -14.369 492 HA LYS 54 HA LYS 54 -1.664 -10.678 -14.982 493 1HB LYS 54 2HB LYS 54 -4.532 -9.721 -15.056 494 2HB LYS 54 3HB LYS 54 -3.110 -8.736 -15.375 495 1HG LYS 54 2HG LYS 54 -2.609 -10.417 -17.246 496 2HG LYS 54 3HG LYS 54 -4.285 -10.932 -17.037 497 1HD LYS 54 2HD LYS 54 -5.120 -8.812 -17.642 498 2HD LYS 54 3HD LYS 54 -3.537 -8.051 -17.464 499 1HE LYS 54 2HE LYS 54 -2.769 -8.875 -19.470 500 2HE LYS 54 3HE LYS 54 -3.872 -10.250 -19.449 501 1HZ LYS 54 1HZ LYS 54 -5.646 -8.358 -19.660 502 2HZ LYS 54 2HZ LYS 54 -4.849 -8.953 -21.027 503 3HZ LYS 54 3HZ LYS 54 -4.351 -7.496 -20.324 504 H ASN 55 H ASN 55 -0.857 -9.405 -13.394 505 HA ASN 55 HA ASN 55 -1.963 -9.756 -10.736 506 1HB ASN 55 2HB ASN 55 0.622 -8.794 -11.864 507 2HB ASN 55 3HB ASN 55 0.164 -8.218 -10.265 508 1HD2 ASN 55 1HD2 ASN 55 2.399 -9.690 -10.513 509 2HD2 ASN 55 2HD2 ASN 55 2.169 -11.265 -9.840 510 H LYS 56 H LYS 56 -3.426 -8.406 -9.952 511 HA LYS 56 HA LYS 56 -3.787 -5.774 -11.114 512 1HB LYS 56 2HB LYS 56 -5.388 -7.641 -9.555 513 2HB LYS 56 3HB LYS 56 -5.524 -5.994 -8.954 514 1HG LYS 56 2HG LYS 56 -6.381 -5.203 -10.986 515 2HG LYS 56 3HG LYS 56 -5.869 -6.648 -11.860 516 1HD LYS 56 2HD LYS 56 -7.901 -6.730 -9.643 517 2HD LYS 56 3HD LYS 56 -8.345 -6.458 -11.330 518 1HE LYS 56 2HE LYS 56 -6.615 -8.786 -10.639 519 2HE LYS 56 3HE LYS 56 -8.343 -8.876 -10.304 520 1HZ LYS 56 1HZ LYS 56 -6.947 -8.890 -12.846 521 2HZ LYS 56 2HZ LYS 56 -8.362 -7.964 -12.805 522 3HZ LYS 56 3HZ LYS 56 -8.416 -9.609 -12.412 523 H ASN 57 H ASN 57 -4.186 -3.906 -9.593 524 HA ASN 57 HA ASN 57 -1.918 -3.716 -7.780 525 1HB ASN 57 2HB ASN 57 -2.521 -1.294 -7.703 526 2HB ASN 57 3HB ASN 57 -2.202 -1.886 -9.330 527 1HD2 ASN 57 1HD2 ASN 57 -3.891 -2.074 -10.790 528 2HD2 ASN 57 2HD2 ASN 57 -5.422 -1.316 -10.530 529 H LYS 58 H LYS 58 -2.140 -4.168 -5.701 530 HA LYS 58 HA LYS 58 -4.773 -4.205 -4.475 531 1HB LYS 58 2HB LYS 58 -2.042 -5.098 -3.571 532 2HB LYS 58 3HB LYS 58 -3.417 -5.059 -2.473 533 1HG LYS 58 2HG LYS 58 -3.438 -7.242 -3.191 534 2HG LYS 58 3HG LYS 58 -4.587 -6.487 -4.299 535 1HD LYS 58 2HD LYS 58 -2.929 -6.364 -6.029 536 2HD LYS 58 3HD LYS 58 -1.664 -6.901 -4.921 537 1HE LYS 58 2HE LYS 58 -2.596 -9.080 -4.781 538 2HE LYS 58 3HE LYS 58 -4.080 -8.571 -5.585 539 1HZ LYS 58 1HZ LYS 58 -2.819 -8.207 -7.611 540 2HZ LYS 58 2HZ LYS 58 -2.635 -9.802 -7.079 541 3HZ LYS 58 3HZ LYS 58 -1.390 -8.682 -6.840 542 H ALA 59 H ALA 59 -4.754 -3.424 -2.067 543 HA ALA 59 HA ALA 59 -4.218 -0.592 -2.159 544 1HB ALA 59 1HB ALA 59 -5.222 -0.697 0.189 545 2HB ALA 59 2HB ALA 59 -6.267 -1.130 -1.164 546 3HB ALA 59 3HB ALA 59 -5.551 -2.392 -0.163 547 H GLU 60 H GLU 60 -3.376 -3.141 0.199 548 HA GLU 60 HA GLU 60 -1.162 -1.506 1.153 549 1HB GLU 60 2HB GLU 60 -2.760 -2.733 2.697 550 2HB GLU 60 3HB GLU 60 -1.996 -4.223 2.162 551 1HG GLU 60 2HG GLU 60 -0.425 -1.963 3.350 552 2HG GLU 60 3HG GLU 60 -1.179 -3.211 4.339 Start of MODEL 18 1 1H GLY -2 H GLY -3 14.616 4.288 18.474 2 1HA GLY -2 2HA GLY -3 15.929 3.506 16.007 3 2HA GLY -2 3HA GLY -3 15.812 2.551 17.477 4 H SER -1 H SER -2 15.381 1.652 14.776 5 HA SER -1 HA SER -2 12.919 0.263 15.172 6 1HB SER -1 2HB SER -2 11.765 2.110 14.316 7 2HB SER -1 3HB SER -2 13.045 2.498 13.167 8 HG SER -1 HG SER -2 10.876 1.051 12.749 9 H HIS 0 H HIS -1 12.545 -1.376 13.550 10 HA HIS 0 HA HIS -1 15.043 -2.325 12.417 11 1HB HIS 0 2HB HIS -1 12.323 -3.545 12.820 12 2HB HIS 0 3HB HIS -1 13.527 -4.330 11.801 13 HD1 HIS 0 1HD HIS -1 13.425 -6.293 13.592 14 HD2 HIS 0 2HD HIS -1 15.008 -2.698 14.948 15 HE1 HIS 0 1HE HIS -1 14.628 -6.851 15.730 16 H MET 1 H MET 1 15.615 -1.638 10.465 17 HA MET 1 HA MET 1 13.613 -0.806 8.537 18 1HB MET 1 2HB MET 1 16.593 -0.616 8.724 19 2HB MET 1 3HB MET 1 15.821 -0.439 7.154 20 1HG MET 1 2HG MET 1 15.073 1.197 9.560 21 2HG MET 1 3HG MET 1 16.283 1.692 8.380 22 1HE MET 1 1HE MET 1 14.021 4.154 7.817 23 2HE MET 1 2HE MET 1 12.608 3.358 8.511 24 3HE MET 1 3HE MET 1 14.161 3.281 9.343 25 H VAL 2 H VAL 2 15.691 -3.515 9.151 26 HA VAL 2 HA VAL 2 15.651 -4.626 6.534 27 HB VAL 2 HB VAL 2 17.337 -5.253 8.226 28 1HG1 VAL 2 1HG1 VAL 2 15.793 -5.292 10.161 29 2HG1 VAL 2 2HG1 VAL 2 15.103 -6.793 9.541 30 3HG1 VAL 2 3HG1 VAL 2 16.793 -6.741 10.044 31 1HG2 VAL 2 1HG2 VAL 2 16.000 -6.929 6.408 32 2HG2 VAL 2 2HG2 VAL 2 17.644 -7.097 7.024 33 3HG2 VAL 2 3HG2 VAL 2 16.307 -7.899 7.848 34 H GLU 3 H GLU 3 14.193 -5.895 5.547 35 HA GLU 3 HA GLU 3 12.182 -6.868 5.100 36 1HB GLU 3 2HB GLU 3 12.333 -7.981 7.897 37 2HB GLU 3 3HB GLU 3 11.579 -8.703 6.483 38 1HG GLU 3 2HG GLU 3 13.977 -8.692 5.506 39 2HG GLU 3 3HG GLU 3 14.472 -8.509 7.188 40 H MET 4 H MET 4 11.638 -4.381 5.551 41 HA MET 4 HA MET 4 9.313 -4.410 7.356 42 1HB MET 4 2HB MET 4 10.998 -3.067 8.430 43 2HB MET 4 3HB MET 4 11.306 -2.178 6.945 44 1HG MET 4 2HG MET 4 9.123 -1.163 7.049 45 2HG MET 4 3HG MET 4 8.709 -2.130 8.464 46 1HE MET 4 1HE MET 4 8.842 -0.938 10.880 47 2HE MET 4 2HE MET 4 8.980 0.811 10.694 48 3HE MET 4 3HE MET 4 7.912 -0.108 9.632 49 H ARG 5 H ARG 5 7.453 -3.940 6.383 50 HA ARG 5 HA ARG 5 7.218 -3.508 3.642 51 1HB ARG 5 2HB ARG 5 4.849 -2.891 4.153 52 2HB ARG 5 3HB ARG 5 5.368 -4.408 4.875 53 1HG ARG 5 2HG ARG 5 4.216 -3.421 6.602 54 2HG ARG 5 3HG ARG 5 5.878 -2.944 6.956 55 1HD ARG 5 2HD ARG 5 5.454 -0.769 6.601 56 2HD ARG 5 3HD ARG 5 4.454 -1.099 5.187 57 HE ARG 5 HE ARG 5 3.213 -1.760 7.702 58 1HH1 ARG 5 2HH1 ARG 5 3.757 0.714 5.314 59 2HH1 ARG 5 1HH1 ARG 5 2.354 1.630 5.754 60 1HH2 ARG 5 2HH2 ARG 5 1.363 -0.563 8.290 61 2HH2 ARG 5 1HH2 ARG 5 0.994 0.904 7.448 62 H MET 6 H MET 6 6.373 -1.650 2.491 63 HA MET 6 HA MET 6 6.260 0.938 3.584 64 1HB MET 6 2HB MET 6 8.773 0.367 3.700 65 2HB MET 6 3HB MET 6 8.756 0.546 1.951 66 1HG MET 6 2HG MET 6 8.165 2.826 2.092 67 2HG MET 6 3HG MET 6 7.778 2.693 3.805 68 1HE MET 6 1HE MET 6 10.917 3.279 5.639 69 2HE MET 6 2HE MET 6 9.461 4.201 5.266 70 3HE MET 6 3HE MET 6 9.343 2.485 5.660 71 H LYS 7 H LYS 7 5.977 2.604 1.937 72 HA LYS 7 HA LYS 7 5.358 1.512 -0.726 73 1HB LYS 7 2HB LYS 7 3.393 3.082 -0.770 74 2HB LYS 7 3HB LYS 7 3.241 1.735 0.350 75 1HG LYS 7 2HG LYS 7 4.323 3.613 1.966 76 2HG LYS 7 3HG LYS 7 3.378 4.620 0.867 77 1HD LYS 7 2HD LYS 7 2.341 2.268 2.451 78 2HD LYS 7 3HD LYS 7 2.067 3.972 2.827 79 1HE LYS 7 2HE LYS 7 0.884 4.255 0.712 80 2HE LYS 7 3HE LYS 7 1.182 2.565 0.309 81 1HZ LYS 7 1HZ LYS 7 -0.703 2.087 1.342 82 2HZ LYS 7 2HZ LYS 7 -0.885 3.678 1.889 83 3HZ LYS 7 3HZ LYS 7 -0.001 2.564 2.806 84 H LYS 8 H LYS 8 4.926 3.417 -2.301 85 HA LYS 8 HA LYS 8 6.618 5.729 -1.729 86 1HB LYS 8 2HB LYS 8 8.016 3.932 -2.821 87 2HB LYS 8 3HB LYS 8 6.989 4.092 -4.240 88 1HG LYS 8 2HG LYS 8 7.628 6.529 -4.281 89 2HG LYS 8 3HG LYS 8 8.839 6.142 -3.057 90 1HD LYS 8 2HD LYS 8 9.949 6.061 -5.150 91 2HD LYS 8 3HD LYS 8 9.709 4.385 -4.649 92 1HE LYS 8 2HE LYS 8 8.212 3.964 -6.305 93 2HE LYS 8 3HE LYS 8 7.580 5.610 -6.301 94 1HZ LYS 8 1HZ LYS 8 8.800 5.087 -8.337 95 2HZ LYS 8 2HZ LYS 8 10.200 4.796 -7.436 96 3HZ LYS 8 3HZ LYS 8 9.533 6.349 -7.482 97 H CYS 9 H CYS 9 6.178 7.549 -3.012 98 HA CYS 9 HA CYS 9 3.486 7.725 -3.935 99 1HB CYS 9 2HB CYS 9 4.684 9.608 -2.849 100 2HB CYS 9 3HB CYS 9 5.739 9.721 -4.252 101 HA PRO 10 HA PRO 10 4.398 6.282 -8.061 102 1HB PRO 10 2HB PRO 10 1.845 6.461 -8.966 103 2HB PRO 10 3HB PRO 10 2.409 5.138 -7.939 104 1HG PRO 10 2HG PRO 10 0.886 7.603 -7.188 105 2HG PRO 10 3HG PRO 10 0.646 5.931 -6.647 106 1HD PRO 10 2HD PRO 10 1.937 7.777 -5.145 107 2HD PRO 10 3HD PRO 10 2.354 6.053 -5.104 108 H LYS 11 H LYS 11 3.467 9.343 -7.017 109 HA LYS 11 HA LYS 11 3.283 10.461 -9.711 110 1HB LYS 11 2HB LYS 11 2.280 11.202 -7.108 111 2HB LYS 11 3HB LYS 11 3.182 12.536 -7.816 112 1HG LYS 11 2HG LYS 11 0.953 12.848 -8.480 113 2HG LYS 11 3HG LYS 11 1.785 12.203 -9.898 114 1HD LYS 11 2HD LYS 11 0.733 10.076 -8.250 115 2HD LYS 11 3HD LYS 11 -0.538 11.211 -8.709 116 1HE LYS 11 2HE LYS 11 1.375 10.283 -10.794 117 2HE LYS 11 3HE LYS 11 0.112 9.178 -10.255 118 1HZ LYS 11 1HZ LYS 11 -1.213 11.512 -10.663 119 2HZ LYS 11 2HZ LYS 11 -1.162 10.210 -11.741 120 3HZ LYS 11 3HZ LYS 11 -0.086 11.502 -11.924 121 H CYS 12 H CYS 12 5.238 10.753 -6.765 122 HA CYS 12 HA CYS 12 7.267 12.203 -8.328 123 1HB CYS 12 2HB CYS 12 7.209 12.008 -5.324 124 2HB CYS 12 3HB CYS 12 8.038 13.192 -6.328 125 H GLY 13 H GLY 13 7.047 9.807 -5.688 126 1HA GLY 13 2HA GLY 13 8.138 7.627 -6.116 127 2HA GLY 13 3HA GLY 13 9.469 8.538 -6.813 128 H LEU 14 H LEU 14 7.743 9.418 -3.877 129 HA LEU 14 HA LEU 14 10.266 9.197 -2.409 130 1HB LEU 14 2HB LEU 14 9.442 11.317 -2.066 131 2HB LEU 14 3HB LEU 14 7.764 10.778 -2.065 132 HG LEU 14 HG LEU 14 8.092 9.827 0.183 133 1HD1 LEU 14 1HD1 LEU 14 10.626 9.580 -0.221 134 2HD1 LEU 14 2HD1 LEU 14 10.064 10.016 1.392 135 3HD1 LEU 14 3HD1 LEU 14 10.720 11.255 0.321 136 1HD2 LEU 14 1HD2 LEU 14 8.946 12.714 0.092 137 2HD2 LEU 14 2HD2 LEU 14 8.037 11.893 1.362 138 3HD2 LEU 14 3HD2 LEU 14 7.296 12.172 -0.214 139 H TYR 15 H TYR 15 10.595 7.699 -0.892 140 HA TYR 15 HA TYR 15 8.551 5.722 -0.404 141 1HB TYR 15 2HB TYR 15 11.456 5.951 0.009 142 2HB TYR 15 3HB TYR 15 10.612 5.038 1.255 143 HD1 TYR 15 1HD TYR 15 11.554 5.140 -2.283 144 HD2 TYR 15 2HD TYR 15 9.541 2.922 0.738 145 HE1 TYR 15 1HE TYR 15 11.532 3.169 -3.755 146 HE2 TYR 15 2HE TYR 15 9.513 0.945 -0.724 147 HH TYR 15 HH TYR 15 11.174 0.932 -3.830 148 H THR 16 H THR 16 7.583 5.237 1.551 149 HA THR 16 HA THR 16 8.192 6.442 4.018 150 HB THR 16 HB THR 16 7.351 8.482 2.869 151 HG1 THR 16 1HG THR 16 6.449 9.096 4.710 152 1HG2 THR 16 1HG2 THR 16 5.576 6.986 1.611 153 2HG2 THR 16 2HG2 THR 16 5.243 8.678 1.981 154 3HG2 THR 16 3HG2 THR 16 4.577 7.403 3.002 155 H LEU 17 H LEU 17 6.055 6.361 5.481 156 HA LEU 17 HA LEU 17 4.602 3.894 4.798 157 1HB LEU 17 2HB LEU 17 5.685 4.633 7.512 158 2HB LEU 17 3HB LEU 17 4.731 3.200 7.134 159 HG LEU 17 HG LEU 17 7.142 3.400 5.514 160 1HD1 LEU 17 1HD1 LEU 17 7.335 3.564 8.489 161 2HD1 LEU 17 2HD1 LEU 17 8.317 4.351 7.254 162 3HD1 LEU 17 3HD1 LEU 17 8.524 2.630 7.578 163 1HD2 LEU 17 1HD2 LEU 17 6.027 1.354 5.503 164 2HD2 LEU 17 2HD2 LEU 17 5.791 1.363 7.251 165 3HD2 LEU 17 3HD2 LEU 17 7.397 1.075 6.580 166 H LYS 18 H LYS 18 4.330 7.088 5.347 167 HA LYS 18 HA LYS 18 2.045 7.136 7.086 168 1HB LYS 18 2HB LYS 18 2.921 9.332 5.214 169 2HB LYS 18 3HB LYS 18 1.994 9.486 6.700 170 1HG LYS 18 2HG LYS 18 3.966 8.771 7.982 171 2HG LYS 18 3HG LYS 18 4.889 8.688 6.479 172 1HD LYS 18 2HD LYS 18 5.333 10.785 7.612 173 2HD LYS 18 3HD LYS 18 4.456 11.087 6.110 174 1HE LYS 18 2HE LYS 18 2.547 11.728 7.196 175 2HE LYS 18 3HE LYS 18 2.884 10.728 8.608 176 1HZ LYS 18 1HZ LYS 18 4.895 12.626 8.489 177 2HZ LYS 18 2HZ LYS 18 3.628 12.543 9.606 178 3HZ LYS 18 3HZ LYS 18 3.455 13.464 8.198 179 H GLU 19 H GLU 19 2.429 6.102 3.986 180 HA GLU 19 HA GLU 19 0.978 5.562 2.318 181 1HB GLU 19 2HB GLU 19 -1.219 6.435 4.196 182 2HB GLU 19 3HB GLU 19 -1.368 5.357 2.816 183 1HG GLU 19 2HG GLU 19 0.464 4.009 4.222 184 2HG GLU 19 3HG GLU 19 -0.373 4.827 5.541 185 H ILE 20 H ILE 20 1.697 8.521 3.207 186 HA ILE 20 HA ILE 20 0.230 9.725 0.977 187 HB ILE 20 HB ILE 20 0.440 11.003 3.706 188 1HG1 ILE 20 2HG1 ILE 20 -1.292 9.157 3.343 189 2HG1 ILE 20 3HG1 ILE 20 -1.895 10.705 3.923 190 1HG2 ILE 20 1HG2 ILE 20 -0.622 12.023 1.083 191 2HG2 ILE 20 2HG2 ILE 20 -1.007 12.762 2.637 192 3HG2 ILE 20 3HG2 ILE 20 0.663 12.711 2.075 193 1HD1 ILE 20 1HD1 ILE 20 -3.126 9.442 2.016 194 2HD1 ILE 20 2HD1 ILE 20 -2.934 11.194 1.937 195 3HD1 ILE 20 3HD1 ILE 20 -1.871 10.147 0.998 196 H CYS 21 H CYS 21 1.341 11.307 -0.123 197 HA CYS 21 HA CYS 21 4.194 11.420 0.402 198 1HB CYS 21 2HB CYS 21 3.447 11.027 -1.889 199 2HB CYS 21 3HB CYS 21 2.543 12.537 -1.874 200 HA PRO 22 HA PRO 22 3.558 15.264 2.624 201 1HB PRO 22 2HB PRO 22 6.137 15.493 3.440 202 2HB PRO 22 3HB PRO 22 4.973 14.417 4.224 203 1HG PRO 22 2HG PRO 22 7.085 13.774 2.203 204 2HG PRO 22 3HG PRO 22 6.632 12.885 3.668 205 1HD PRO 22 2HD PRO 22 5.802 12.143 1.200 206 2HD PRO 22 3HD PRO 22 4.817 11.889 2.655 207 H LYS 23 H LYS 23 5.303 14.602 -0.185 208 HA LYS 23 HA LYS 23 6.527 17.205 -0.463 209 1HB LYS 23 2HB LYS 23 6.938 14.696 -1.611 210 2HB LYS 23 3HB LYS 23 6.303 15.679 -2.923 211 1HG LYS 23 2HG LYS 23 8.094 17.145 -2.866 212 2HG LYS 23 3HG LYS 23 8.532 16.703 -1.214 213 1HD LYS 23 2HD LYS 23 10.122 15.459 -2.202 214 2HD LYS 23 3HD LYS 23 8.806 14.321 -2.503 215 1HE LYS 23 2HE LYS 23 8.509 15.101 -4.712 216 2HE LYS 23 3HE LYS 23 9.501 16.530 -4.421 217 1HZ LYS 23 1HZ LYS 23 10.369 14.251 -5.569 218 2HZ LYS 23 2HZ LYS 23 10.876 14.040 -3.969 219 3HZ LYS 23 3HZ LYS 23 11.368 15.405 -4.838 220 H CYS 24 H CYS 24 4.058 15.425 -2.331 221 HA CYS 24 HA CYS 24 2.993 18.008 -3.235 222 1HB CYS 24 2HB CYS 24 1.892 16.736 -5.024 223 2HB CYS 24 3HB CYS 24 3.628 16.454 -5.018 224 H GLY 25 H GLY 25 2.112 14.980 -1.669 225 1HA GLY 25 2HA GLY 25 0.461 15.018 0.094 226 2HA GLY 25 3HA GLY 25 -0.393 16.269 -0.797 227 H GLU 26 H GLU 26 0.912 13.446 -2.381 228 HA GLU 26 HA GLU 26 -1.844 12.557 -2.910 229 1HB GLU 26 2HB GLU 26 -0.693 13.172 -4.933 230 2HB GLU 26 3HB GLU 26 0.698 12.189 -4.499 231 1HG GLU 26 2HG GLU 26 -0.837 11.235 -6.248 232 2HG GLU 26 3HG GLU 26 -0.468 10.183 -4.883 233 H LYS 27 H LYS 27 -2.458 10.478 -2.527 234 HA LYS 27 HA LYS 27 -1.267 9.010 -0.514 235 1HB LYS 27 2HB LYS 27 -3.335 8.482 -2.562 236 2HB LYS 27 3HB LYS 27 -2.592 7.058 -1.847 237 1HG LYS 27 2HG LYS 27 -4.374 7.390 -0.447 238 2HG LYS 27 3HG LYS 27 -3.103 8.270 0.405 239 1HD LYS 27 2HD LYS 27 -3.973 10.330 -0.149 240 2HD LYS 27 3HD LYS 27 -4.792 9.714 -1.587 241 1HE LYS 27 2HE LYS 27 -6.613 9.929 -0.257 242 2HE LYS 27 3HE LYS 27 -6.108 8.327 0.281 243 1HZ LYS 27 1HZ LYS 27 -5.051 10.709 1.641 244 2HZ LYS 27 2HZ LYS 27 -5.286 9.147 2.245 245 3HZ LYS 27 3HZ LYS 27 -6.612 10.171 2.009 246 H THR 28 H THR 28 0.182 7.355 -0.397 247 HA THR 28 HA THR 28 1.887 6.971 -2.728 248 HB THR 28 HB THR 28 3.183 5.535 -0.935 249 HG1 THR 28 1HG THR 28 2.762 6.746 1.157 250 1HG2 THR 28 1HG2 THR 28 4.605 7.260 -0.981 251 2HG2 THR 28 2HG2 THR 28 3.468 8.311 -0.135 252 3HG2 THR 28 3HG2 THR 28 3.370 8.134 -1.887 253 H VAL 29 H VAL 29 2.550 4.868 -3.437 254 HA VAL 29 HA VAL 29 0.713 2.683 -2.724 255 HB VAL 29 HB VAL 29 0.480 2.014 -5.030 256 1HG1 VAL 29 1HG1 VAL 29 -1.029 3.641 -5.735 257 2HG1 VAL 29 2HG1 VAL 29 -0.958 3.878 -3.987 258 3HG1 VAL 29 3HG1 VAL 29 -0.071 4.959 -5.062 259 1HG2 VAL 29 1HG2 VAL 29 2.224 2.505 -6.354 260 2HG2 VAL 29 2HG2 VAL 29 1.379 4.026 -6.639 261 3HG2 VAL 29 3HG2 VAL 29 2.653 3.939 -5.423 262 H ILE 30 H ILE 30 1.533 0.559 -3.105 263 HA ILE 30 HA ILE 30 4.238 0.228 -2.406 264 HB ILE 30 HB ILE 30 2.468 -1.864 -3.671 265 1HG1 ILE 30 2HG1 ILE 30 1.274 -0.867 -1.805 266 2HG1 ILE 30 3HG1 ILE 30 1.850 -2.465 -1.342 267 1HG2 ILE 30 1HG2 ILE 30 4.528 -2.854 -3.568 268 2HG2 ILE 30 2HG2 ILE 30 5.041 -1.897 -2.179 269 3HG2 ILE 30 3HG2 ILE 30 3.921 -3.242 -1.958 270 1HD1 ILE 30 1HD1 ILE 30 2.299 0.029 -0.071 271 2HD1 ILE 30 2HD1 ILE 30 2.830 -1.579 0.425 272 3HD1 ILE 30 3HD1 ILE 30 3.850 -0.600 -0.629 273 HA PRO 31 HA PRO 31 5.899 0.857 -6.525 274 1HB PRO 31 2HB PRO 31 8.497 0.765 -5.746 275 2HB PRO 31 3HB PRO 31 7.481 2.196 -5.534 276 1HG PRO 31 2HG PRO 31 8.214 0.082 -3.546 277 2HG PRO 31 3HG PRO 31 8.146 1.841 -3.334 278 1HD PRO 31 2HD PRO 31 6.170 0.194 -2.489 279 2HD PRO 31 3HD PRO 31 5.858 1.846 -3.062 280 H LYS 32 H LYS 32 6.091 -1.825 -4.447 281 HA LYS 32 HA LYS 32 7.701 -3.412 -6.294 282 1HB LYS 32 2HB LYS 32 6.659 -3.840 -3.515 283 2HB LYS 32 3HB LYS 32 7.185 -5.213 -4.479 284 1HG LYS 32 2HG LYS 32 9.025 -2.899 -4.269 285 2HG LYS 32 3HG LYS 32 8.818 -3.921 -2.845 286 1HD LYS 32 2HD LYS 32 10.496 -5.086 -3.829 287 2HD LYS 32 3HD LYS 32 9.147 -5.828 -4.694 288 1HE LYS 32 2HE LYS 32 9.492 -4.433 -6.589 289 2HE LYS 32 3HE LYS 32 10.633 -3.415 -5.712 290 1HZ LYS 32 1HZ LYS 32 11.691 -5.923 -5.535 291 2HZ LYS 32 2HZ LYS 32 12.204 -4.698 -6.583 292 3HZ LYS 32 3HZ LYS 32 11.095 -5.859 -7.117 293 HA PRO 33 HA PRO 33 4.353 -5.436 -8.281 294 1HB PRO 33 2HB PRO 33 5.285 -7.974 -8.523 295 2HB PRO 33 3HB PRO 33 5.913 -6.625 -9.476 296 1HG PRO 33 2HG PRO 33 7.040 -7.884 -7.006 297 2HG PRO 33 3HG PRO 33 7.879 -7.366 -8.480 298 1HD PRO 33 2HD PRO 33 7.864 -5.884 -6.214 299 2HD PRO 33 3HD PRO 33 7.916 -5.155 -7.832 300 HA PRO 34 HA PRO 34 1.696 -7.549 -5.486 301 1HB PRO 34 2HB PRO 34 0.402 -9.307 -7.099 302 2HB PRO 34 3HB PRO 34 0.105 -7.565 -7.145 303 1HG PRO 34 2HG PRO 34 1.810 -9.245 -8.943 304 2HG PRO 34 3HG PRO 34 0.691 -7.935 -9.365 305 1HD PRO 34 2HD PRO 34 3.372 -7.573 -9.227 306 2HD PRO 34 3HD PRO 34 2.213 -6.291 -8.821 307 H LYS 35 H LYS 35 3.426 -9.751 -7.676 308 HA LYS 35 HA LYS 35 3.112 -12.109 -6.234 309 1HB LYS 35 2HB LYS 35 5.520 -11.275 -7.861 310 2HB LYS 35 3HB LYS 35 5.086 -12.922 -7.424 311 1HG LYS 35 2HG LYS 35 3.466 -13.064 -8.997 312 2HG LYS 35 3HG LYS 35 3.052 -11.351 -8.885 313 1HD LYS 35 2HD LYS 35 5.217 -10.845 -10.041 314 2HD LYS 35 3HD LYS 35 5.415 -12.580 -10.301 315 1HE LYS 35 2HE LYS 35 4.428 -11.941 -12.278 316 2HE LYS 35 3HE LYS 35 3.017 -12.400 -11.326 317 1HZ LYS 35 1HZ LYS 35 2.222 -10.363 -11.558 318 2HZ LYS 35 2HZ LYS 35 3.546 -9.942 -12.522 319 3HZ LYS 35 3HZ LYS 35 3.605 -9.693 -10.850 320 H PHE 36 H PHE 36 5.260 -9.411 -5.714 321 HA PHE 36 HA PHE 36 7.198 -10.523 -4.089 322 1HB PHE 36 2HB PHE 36 6.926 -8.091 -4.935 323 2HB PHE 36 3HB PHE 36 5.989 -7.840 -3.465 324 HD1 PHE 36 1HD PHE 36 9.253 -9.321 -4.508 325 HD2 PHE 36 2HD PHE 36 7.103 -7.033 -1.634 326 HE1 PHE 36 1HE PHE 36 11.336 -8.946 -3.253 327 HE2 PHE 36 2HE PHE 36 9.182 -6.654 -0.374 328 HZ PHE 36 HZ PHE 36 11.302 -7.610 -1.184 329 H SER 37 H SER 37 6.701 -11.972 -2.550 330 HA SER 37 HA SER 37 5.194 -11.028 -0.246 331 1HB SER 37 2HB SER 37 4.503 -13.763 -1.246 332 2HB SER 37 3HB SER 37 3.557 -12.668 -0.238 333 HG SER 37 HG SER 37 3.151 -11.409 -2.064 334 H LEU 38 H LEU 38 5.334 -12.655 1.580 335 HA LEU 38 HA LEU 38 7.982 -13.191 2.200 336 1HB LEU 38 2HB LEU 38 7.183 -14.377 4.102 337 2HB LEU 38 3HB LEU 38 6.093 -13.023 3.809 338 HG LEU 38 HG LEU 38 5.408 -15.745 2.770 339 1HD1 LEU 38 1HD1 LEU 38 4.455 -16.430 4.790 340 2HD1 LEU 38 2HD1 LEU 38 4.613 -14.830 5.514 341 3HD1 LEU 38 3HD1 LEU 38 6.046 -15.820 5.242 342 1HD2 LEU 38 1HD2 LEU 38 4.046 -13.170 3.299 343 2HD2 LEU 38 2HD2 LEU 38 3.118 -14.643 3.579 344 3HD2 LEU 38 3HD2 LEU 38 3.816 -14.329 1.990 345 H GLU 39 H GLU 39 5.688 -15.091 0.420 346 HA GLU 39 HA GLU 39 7.756 -17.144 0.033 347 1HB GLU 39 2HB GLU 39 6.028 -18.888 0.027 348 2HB GLU 39 3HB GLU 39 6.098 -18.056 1.574 349 1HG GLU 39 2HG GLU 39 4.204 -16.588 0.523 350 2HG GLU 39 3HG GLU 39 3.987 -17.991 -0.521 351 H ASP 40 H ASP 40 8.026 -17.847 -2.025 352 HA ASP 40 HA ASP 40 6.063 -17.062 -4.053 353 1HB ASP 40 2HB ASP 40 9.007 -16.392 -4.105 354 2HB ASP 40 3HB ASP 40 7.987 -16.352 -5.539 355 H ARG 41 H ARG 41 5.603 -18.699 -5.363 356 HA ARG 41 HA ARG 41 6.778 -21.229 -5.115 357 1HB ARG 41 2HB ARG 41 5.464 -21.838 -7.097 358 2HB ARG 41 3HB ARG 41 4.505 -20.916 -5.948 359 1HG ARG 41 2HG ARG 41 4.577 -18.979 -7.291 360 2HG ARG 41 3HG ARG 41 5.848 -19.650 -8.316 361 1HD ARG 41 2HD ARG 41 3.963 -19.936 -9.622 362 2HD ARG 41 3HD ARG 41 4.106 -21.502 -8.826 363 HE ARG 41 HE ARG 41 2.471 -20.112 -7.177 364 1HH1 ARG 41 2HH1 ARG 41 2.436 -20.768 -10.595 365 2HH1 ARG 41 1HH1 ARG 41 0.707 -20.729 -10.718 366 1HH2 ARG 41 2HH2 ARG 41 0.196 -20.058 -7.325 367 2HH2 ARG 41 1HH2 ARG 41 -0.566 -20.324 -8.856 368 H TRP 42 H TRP 42 7.560 -18.515 -7.141 369 HA TRP 42 HA TRP 42 9.447 -20.131 -8.695 370 1HB TRP 42 2HB TRP 42 8.424 -17.310 -9.059 371 2HB TRP 42 3HB TRP 42 9.699 -18.016 -10.049 372 HD1 TRP 42 1HD TRP 42 6.276 -17.276 -10.435 373 HE1 TRP 42 1HE TRP 42 5.052 -18.917 -11.996 374 HE3 TRP 42 3HE TRP 42 9.684 -21.086 -10.440 375 HZ2 TRP 42 2HZ TRP 42 5.476 -21.487 -13.084 376 HZ3 TRP 42 3HZ TRP 42 9.200 -23.102 -11.766 377 HH2 TRP 42 2HH TRP 42 7.138 -23.296 -13.060 378 H GLY 43 H GLY 43 9.715 -19.174 -5.814 379 1HA GLY 43 2HA GLY 43 11.593 -17.167 -5.525 380 2HA GLY 43 3HA GLY 43 11.471 -18.563 -4.465 381 H LYS 44 H LYS 44 12.071 -20.466 -6.605 382 HA LYS 44 HA LYS 44 14.964 -20.205 -6.515 383 1HB LYS 44 2HB LYS 44 13.298 -22.466 -7.634 384 2HB LYS 44 3HB LYS 44 15.016 -22.509 -7.262 385 1HG LYS 44 2HG LYS 44 14.457 -22.141 -4.875 386 2HG LYS 44 3HG LYS 44 12.748 -22.257 -5.299 387 1HD LYS 44 2HD LYS 44 13.097 -24.525 -6.127 388 2HD LYS 44 3HD LYS 44 14.818 -24.409 -5.750 389 1HE LYS 44 2HE LYS 44 13.981 -23.867 -3.349 390 2HE LYS 44 3HE LYS 44 12.477 -24.605 -3.896 391 1HZ LYS 44 1HZ LYS 44 14.968 -26.062 -4.373 392 2HZ LYS 44 2HZ LYS 44 13.420 -26.653 -4.034 393 3HZ LYS 44 3HZ LYS 44 14.374 -26.018 -2.790 394 H TYR 45 H TYR 45 12.367 -19.897 -8.786 395 HA TYR 45 HA TYR 45 13.652 -20.322 -11.205 396 1HB TYR 45 2HB TYR 45 11.175 -19.751 -10.704 397 2HB TYR 45 3HB TYR 45 11.688 -18.074 -10.844 398 HD1 TYR 45 1HD TYR 45 12.614 -17.249 -13.008 399 HD2 TYR 45 2HD TYR 45 10.871 -21.112 -12.629 400 HE1 TYR 45 1HE TYR 45 12.380 -17.378 -15.453 401 HE2 TYR 45 2HE TYR 45 10.634 -21.251 -15.073 402 HH TYR 45 HH TYR 45 10.483 -19.105 -17.031 403 H ARG 46 H ARG 46 13.948 -17.689 -8.965 404 HA ARG 46 HA ARG 46 14.905 -15.642 -10.547 405 1HB ARG 46 2HB ARG 46 14.459 -15.434 -8.132 406 2HB ARG 46 3HB ARG 46 15.879 -16.414 -7.791 407 1HG ARG 46 2HG ARG 46 16.740 -14.328 -7.487 408 2HG ARG 46 3HG ARG 46 17.096 -14.561 -9.200 409 1HD ARG 46 2HD ARG 46 16.160 -12.364 -8.869 410 2HD ARG 46 3HD ARG 46 15.009 -13.361 -9.758 411 HE ARG 46 HE ARG 46 13.550 -13.175 -8.005 412 1HH1 ARG 46 2HH1 ARG 46 16.725 -12.209 -6.953 413 2HH1 ARG 46 1HH1 ARG 46 16.182 -11.628 -5.415 414 1HH2 ARG 46 2HH2 ARG 46 12.822 -12.414 -5.981 415 2HH2 ARG 46 1HH2 ARG 46 13.962 -11.746 -4.861 416 H ARG 47 H ARG 47 16.489 -18.587 -9.560 417 HA ARG 47 HA ARG 47 19.155 -17.924 -10.009 418 1HB ARG 47 2HB ARG 47 17.576 -20.441 -10.015 419 2HB ARG 47 3HB ARG 47 19.163 -20.494 -10.771 420 1HG ARG 47 2HG ARG 47 20.268 -20.048 -8.786 421 2HG ARG 47 3HG ARG 47 18.833 -19.353 -8.029 422 1HD ARG 47 2HD ARG 47 17.855 -21.465 -7.698 423 2HD ARG 47 3HD ARG 47 18.968 -22.246 -8.822 424 HE ARG 47 HE ARG 47 19.392 -21.785 -6.048 425 1HH1 ARG 47 2HH1 ARG 47 21.017 -21.956 -9.122 426 2HH1 ARG 47 1HH1 ARG 47 22.543 -22.409 -8.437 427 1HH2 ARG 47 2HH2 ARG 47 21.396 -22.382 -5.135 428 2HH2 ARG 47 1HH2 ARG 47 22.756 -22.652 -6.169 429 H MET 48 H MET 48 16.593 -18.694 -12.264 430 HA MET 48 HA MET 48 18.482 -18.639 -14.503 431 1HB MET 48 2HB MET 48 15.702 -19.660 -14.133 432 2HB MET 48 3HB MET 48 16.207 -19.176 -15.746 433 1HG MET 48 2HG MET 48 17.840 -21.078 -14.110 434 2HG MET 48 3HG MET 48 16.468 -21.629 -15.071 435 1HE MET 48 1HE MET 48 20.498 -21.613 -15.947 436 2HE MET 48 2HE MET 48 20.381 -19.859 -16.091 437 3HE MET 48 3HE MET 48 19.802 -20.666 -14.633 438 H LEU 49 H LEU 49 15.846 -16.865 -13.059 439 HA LEU 49 HA LEU 49 15.103 -15.182 -15.126 440 1HB LEU 49 2HB LEU 49 14.397 -15.414 -12.550 441 2HB LEU 49 3HB LEU 49 15.386 -13.959 -12.447 442 HG LEU 49 HG LEU 49 13.007 -13.438 -12.680 443 1HD1 LEU 49 1HD1 LEU 49 15.057 -12.223 -13.921 444 2HD1 LEU 49 2HD1 LEU 49 13.394 -11.640 -13.983 445 3HD1 LEU 49 3HD1 LEU 49 14.041 -12.605 -15.311 446 1HD2 LEU 49 1HD2 LEU 49 11.744 -14.006 -14.607 447 2HD2 LEU 49 2HD2 LEU 49 12.481 -15.498 -14.024 448 3HD2 LEU 49 3HD2 LEU 49 13.161 -14.667 -15.423 449 H LYS 50 H LYS 50 17.993 -15.173 -13.189 450 HA LYS 50 HA LYS 50 18.846 -12.533 -13.754 451 1HB LYS 50 2HB LYS 50 21.121 -13.438 -13.120 452 2HB LYS 50 3HB LYS 50 19.859 -13.638 -11.912 453 1HG LYS 50 2HG LYS 50 20.315 -15.798 -11.837 454 2HG LYS 50 3HG LYS 50 19.804 -15.947 -13.520 455 1HD LYS 50 2HD LYS 50 22.043 -16.824 -13.272 456 2HD LYS 50 3HD LYS 50 22.093 -15.343 -14.230 457 1HE LYS 50 2HE LYS 50 23.900 -15.475 -12.546 458 2HE LYS 50 3HE LYS 50 22.848 -14.079 -12.323 459 1HZ LYS 50 1HZ LYS 50 23.397 -15.257 -10.239 460 2HZ LYS 50 2HZ LYS 50 22.583 -16.623 -10.816 461 3HZ LYS 50 3HZ LYS 50 21.734 -15.186 -10.540 462 H ARG 51 H ARG 51 18.874 -11.940 -15.859 463 HA ARG 51 HA ARG 51 19.635 -13.591 -18.009 464 1HB ARG 51 2HB ARG 51 19.361 -10.613 -17.689 465 2HB ARG 51 3HB ARG 51 19.927 -11.319 -19.197 466 1HG ARG 51 2HG ARG 51 17.789 -12.747 -19.083 467 2HG ARG 51 3HG ARG 51 17.243 -11.556 -17.901 468 1HD ARG 51 2HD ARG 51 17.575 -9.773 -19.528 469 2HD ARG 51 3HD ARG 51 18.169 -10.943 -20.706 470 HE ARG 51 HE ARG 51 15.686 -11.852 -20.025 471 1HH1 ARG 51 2HH1 ARG 51 16.963 -8.862 -21.268 472 2HH1 ARG 51 1HH1 ARG 51 15.521 -8.457 -22.139 473 1HH2 ARG 51 2HH2 ARG 51 13.782 -11.331 -21.167 474 2HH2 ARG 51 1HH2 ARG 51 13.712 -9.862 -22.080 475 H ALA 52 H ALA 52 21.384 -10.654 -17.021 476 HA ALA 52 HA ALA 52 23.896 -12.098 -16.920 477 1HB ALA 52 1HB ALA 52 24.917 -11.239 -18.763 478 2HB ALA 52 2HB ALA 52 23.258 -11.274 -19.363 479 3HB ALA 52 3HB ALA 52 23.942 -9.767 -18.754 480 H LEU 53 H LEU 53 24.696 -11.396 -15.054 481 HA LEU 53 HA LEU 53 25.378 -10.037 -13.363 482 1HB LEU 53 2HB LEU 53 26.266 -8.908 -15.674 483 2HB LEU 53 3HB LEU 53 25.352 -7.578 -14.967 484 HG LEU 53 HG LEU 53 27.282 -8.951 -13.192 485 1HD1 LEU 53 1HD1 LEU 53 28.124 -7.209 -15.500 486 2HD1 LEU 53 2HD1 LEU 53 28.617 -8.870 -15.177 487 3HD1 LEU 53 3HD1 LEU 53 29.139 -7.572 -14.104 488 1HD2 LEU 53 1HD2 LEU 53 27.718 -6.506 -12.638 489 2HD2 LEU 53 2HD2 LEU 53 26.119 -7.142 -12.245 490 3HD2 LEU 53 3HD2 LEU 53 26.343 -6.139 -13.679 491 H LYS 54 H LYS 54 22.599 -10.418 -13.629 492 HA LYS 54 HA LYS 54 21.341 -7.843 -13.155 493 1HB LYS 54 2HB LYS 54 20.331 -9.884 -14.417 494 2HB LYS 54 3HB LYS 54 19.977 -10.493 -12.806 495 1HG LYS 54 2HG LYS 54 18.025 -9.417 -13.245 496 2HG LYS 54 3HG LYS 54 18.928 -8.091 -12.509 497 1HD LYS 54 2HD LYS 54 17.951 -7.196 -14.463 498 2HD LYS 54 3HD LYS 54 19.650 -7.463 -14.858 499 1HE LYS 54 2HE LYS 54 19.185 -9.236 -16.249 500 2HE LYS 54 3HE LYS 54 17.670 -9.618 -15.432 501 1HZ LYS 54 1HZ LYS 54 17.462 -7.052 -16.535 502 2HZ LYS 54 2HZ LYS 54 16.595 -8.444 -16.949 503 3HZ LYS 54 3HZ LYS 54 18.047 -8.087 -17.739 504 H ASN 55 H ASN 55 22.390 -10.661 -11.362 505 HA ASN 55 HA ASN 55 22.205 -9.188 -8.888 506 1HB ASN 55 2HB ASN 55 20.930 -11.173 -7.819 507 2HB ASN 55 3HB ASN 55 20.010 -9.982 -8.733 508 1HD2 ASN 55 1HD2 ASN 55 20.809 -13.241 -8.390 509 2HD2 ASN 55 2HD2 ASN 55 20.032 -13.837 -9.813 510 H LYS 56 H LYS 56 24.122 -9.537 -8.002 511 HA LYS 56 HA LYS 56 25.804 -11.707 -8.683 512 1HB LYS 56 2HB LYS 56 25.931 -9.351 -6.951 513 2HB LYS 56 3HB LYS 56 26.820 -10.727 -6.314 514 1HG LYS 56 2HG LYS 56 28.468 -9.818 -7.563 515 2HG LYS 56 3HG LYS 56 27.713 -10.799 -8.821 516 1HD LYS 56 2HD LYS 56 27.829 -8.787 -9.904 517 2HD LYS 56 3HD LYS 56 26.243 -8.631 -9.145 518 1HE LYS 56 2HE LYS 56 28.711 -7.684 -7.738 519 2HE LYS 56 3HE LYS 56 27.935 -6.678 -8.960 520 1HZ LYS 56 1HZ LYS 56 25.821 -7.145 -7.581 521 2HZ LYS 56 2HZ LYS 56 26.923 -5.988 -7.029 522 3HZ LYS 56 3HZ LYS 56 26.904 -7.533 -6.340 523 H ASN 57 H ASN 57 26.256 -13.601 -7.656 524 HA ASN 57 HA ASN 57 24.323 -14.901 -6.179 525 1HB ASN 57 2HB ASN 57 26.474 -15.794 -7.376 526 2HB ASN 57 3HB ASN 57 27.213 -15.599 -5.790 527 1HD2 ASN 57 1HD2 ASN 57 24.644 -17.199 -7.561 528 2HD2 ASN 57 2HD2 ASN 57 24.457 -18.521 -6.464 529 H LYS 58 H LYS 58 27.385 -13.583 -4.907 530 HA LYS 58 HA LYS 58 26.017 -12.969 -2.395 531 1HB LYS 58 2HB LYS 58 28.427 -14.735 -2.712 532 2HB LYS 58 3HB LYS 58 28.165 -13.831 -1.226 533 1HG LYS 58 2HG LYS 58 25.776 -14.952 -1.390 534 2HG LYS 58 3HG LYS 58 26.673 -16.144 -2.333 535 1HD LYS 58 2HD LYS 58 26.850 -16.988 -0.186 536 2HD LYS 58 3HD LYS 58 28.348 -16.069 -0.346 537 1HE LYS 58 2HE LYS 58 27.056 -14.127 0.699 538 2HE LYS 58 3HE LYS 58 25.842 -15.328 1.137 539 1HZ LYS 58 1HZ LYS 58 27.153 -15.334 2.990 540 2HZ LYS 58 2HZ LYS 58 28.578 -15.000 2.142 541 3HZ LYS 58 3HZ LYS 58 27.917 -16.557 2.101 542 H ALA 59 H ALA 59 27.048 -11.351 -1.129 543 HA ALA 59 HA ALA 59 28.287 -9.311 -2.657 544 1HB ALA 59 1HB ALA 59 27.014 -9.489 -0.180 545 2HB ALA 59 2HB ALA 59 28.651 -8.936 0.174 546 3HB ALA 59 3HB ALA 59 27.641 -8.036 -0.958 547 H GLU 60 H GLU 60 29.507 -11.659 -0.313 548 HA GLU 60 HA GLU 60 32.083 -10.684 0.025 549 1HB GLU 60 2HB GLU 60 30.908 -12.657 1.188 550 2HB GLU 60 3HB GLU 60 31.482 -13.625 -0.163 551 1HG GLU 60 2HG GLU 60 33.801 -12.812 0.394 552 2HG GLU 60 3HG GLU 60 33.118 -12.157 1.881 Start of MODEL 19 1 1H GLY -2 H GLY -3 15.230 -14.265 -13.463 2 1HA GLY -2 2HA GLY -3 13.653 -11.816 -12.985 3 2HA GLY -2 3HA GLY -3 12.955 -13.184 -13.839 4 H SER -1 H SER -2 15.056 -13.170 -10.984 5 HA SER -1 HA SER -2 13.448 -15.080 -9.634 6 1HB SER -1 2HB SER -2 14.943 -14.530 -7.671 7 2HB SER -1 3HB SER -2 15.792 -15.021 -9.136 8 HG SER -1 HG SER -2 16.553 -13.039 -9.381 9 H HIS 0 H HIS -1 11.589 -14.744 -8.634 10 HA HIS 0 HA HIS -1 10.500 -12.177 -8.182 11 1HB HIS 0 2HB HIS -1 9.705 -14.973 -7.546 12 2HB HIS 0 3HB HIS -1 8.918 -13.683 -6.643 13 HD1 HIS 0 1HD HIS -1 9.014 -15.311 -9.962 14 HD2 HIS 0 2HD HIS -1 7.318 -11.936 -8.231 15 HE1 HIS 0 1HE HIS -1 7.272 -14.523 -11.594 16 H MET 1 H MET 1 10.214 -10.991 -6.314 17 HA MET 1 HA MET 1 11.848 -11.838 -4.013 18 1HB MET 1 2HB MET 1 11.528 -9.206 -5.368 19 2HB MET 1 3HB MET 1 11.757 -9.206 -3.624 20 1HG MET 1 2HG MET 1 13.840 -10.409 -3.864 21 2HG MET 1 3HG MET 1 13.600 -10.518 -5.607 22 1HE MET 1 1HE MET 1 15.681 -8.204 -3.038 23 2HE MET 1 2HE MET 1 15.953 -9.682 -3.961 24 3HE MET 1 3HE MET 1 16.598 -8.146 -4.544 25 H VAL 2 H VAL 2 11.138 -10.482 -1.979 26 HA VAL 2 HA VAL 2 8.313 -11.083 -1.596 27 HB VAL 2 HB VAL 2 9.966 -11.873 0.067 28 1HG1 VAL 2 1HG1 VAL 2 10.281 -9.244 1.321 29 2HG1 VAL 2 2HG1 VAL 2 11.450 -10.547 1.104 30 3HG1 VAL 2 3HG1 VAL 2 11.125 -9.424 -0.216 31 1HG2 VAL 2 1HG2 VAL 2 8.311 -9.879 1.526 32 2HG2 VAL 2 2HG2 VAL 2 7.490 -11.078 0.526 33 3HG2 VAL 2 3HG2 VAL 2 8.546 -11.598 1.840 34 H GLU 3 H GLU 3 6.792 -9.600 -0.842 35 HA GLU 3 HA GLU 3 6.967 -6.995 -1.877 36 1HB GLU 3 2HB GLU 3 5.063 -8.389 -0.032 37 2HB GLU 3 3HB GLU 3 4.924 -6.653 -0.273 38 1HG GLU 3 2HG GLU 3 3.478 -7.438 -1.859 39 2HG GLU 3 3HG GLU 3 4.961 -7.285 -2.800 40 H MET 4 H MET 4 6.283 -5.086 -0.289 41 HA MET 4 HA MET 4 7.976 -5.139 2.102 42 1HB MET 4 2HB MET 4 8.216 -3.269 -0.229 43 2HB MET 4 3HB MET 4 8.642 -2.717 1.385 44 1HG MET 4 2HG MET 4 9.804 -5.262 0.372 45 2HG MET 4 3HG MET 4 10.444 -3.728 -0.211 46 1HE MET 4 1HE MET 4 12.513 -3.936 0.331 47 2HE MET 4 2HE MET 4 13.133 -3.227 1.822 48 3HE MET 4 3HE MET 4 13.069 -4.981 1.638 49 H ARG 5 H ARG 5 7.162 -4.038 3.808 50 HA ARG 5 HA ARG 5 4.453 -3.280 3.807 51 1HB ARG 5 2HB ARG 5 5.511 -4.044 5.839 52 2HB ARG 5 3HB ARG 5 6.660 -2.714 5.789 53 1HG ARG 5 2HG ARG 5 4.690 -1.157 6.012 54 2HG ARG 5 3HG ARG 5 3.714 -2.588 6.353 55 1HD ARG 5 2HD ARG 5 6.179 -2.436 7.917 56 2HD ARG 5 3HD ARG 5 5.069 -1.100 8.213 57 HE ARG 5 HE ARG 5 3.847 -3.712 8.276 58 1HH1 ARG 5 2HH1 ARG 5 5.446 -1.222 10.107 59 2HH1 ARG 5 1HH1 ARG 5 4.788 -1.733 11.625 60 1HH2 ARG 5 2HH2 ARG 5 2.973 -4.396 10.268 61 2HH2 ARG 5 1HH2 ARG 5 3.382 -3.540 11.716 62 H MET 6 H MET 6 7.406 -1.468 3.336 63 HA MET 6 HA MET 6 6.217 1.114 3.636 64 1HB MET 6 2HB MET 6 8.707 0.455 3.830 65 2HB MET 6 3HB MET 6 8.727 0.560 2.076 66 1HG MET 6 2HG MET 6 8.547 2.818 2.065 67 2HG MET 6 3HG MET 6 7.597 2.861 3.548 68 1HE MET 6 1HE MET 6 8.338 4.415 4.821 69 2HE MET 6 2HE MET 6 9.838 4.462 5.749 70 3HE MET 6 3HE MET 6 9.759 5.222 4.158 71 H LYS 7 H LYS 7 5.974 2.692 1.922 72 HA LYS 7 HA LYS 7 5.441 1.512 -0.719 73 1HB LYS 7 2HB LYS 7 3.463 3.099 -0.854 74 2HB LYS 7 3HB LYS 7 3.279 1.719 0.220 75 1HG LYS 7 2HG LYS 7 4.216 3.490 1.980 76 2HG LYS 7 3HG LYS 7 3.452 4.602 0.842 77 1HD LYS 7 2HD LYS 7 2.106 2.238 2.151 78 2HD LYS 7 3HD LYS 7 1.923 3.923 2.646 79 1HE LYS 7 2HE LYS 7 0.920 4.483 0.529 80 2HE LYS 7 3HE LYS 7 1.233 2.864 -0.093 81 1HZ LYS 7 1HZ LYS 7 -0.913 3.802 1.569 82 2HZ LYS 7 2HZ LYS 7 -0.183 2.398 2.168 83 3HZ LYS 7 3HZ LYS 7 -0.821 2.417 0.601 84 H LYS 8 H LYS 8 4.992 3.397 -2.343 85 HA LYS 8 HA LYS 8 6.694 5.710 -1.786 86 1HB LYS 8 2HB LYS 8 8.131 4.014 -2.865 87 2HB LYS 8 3HB LYS 8 7.020 3.952 -4.226 88 1HG LYS 8 2HG LYS 8 7.476 6.366 -4.625 89 2HG LYS 8 3HG LYS 8 8.707 6.289 -3.363 90 1HD LYS 8 2HD LYS 8 9.925 5.975 -5.324 91 2HD LYS 8 3HD LYS 8 9.676 4.331 -4.732 92 1HE LYS 8 2HE LYS 8 7.846 4.012 -6.275 93 2HE LYS 8 3HE LYS 8 7.954 5.691 -6.801 94 1HZ LYS 8 1HZ LYS 8 9.564 5.186 -8.223 95 2HZ LYS 8 2HZ LYS 8 9.224 3.554 -7.936 96 3HZ LYS 8 3HZ LYS 8 10.447 4.328 -7.062 97 H CYS 9 H CYS 9 6.243 7.537 -3.049 98 HA CYS 9 HA CYS 9 3.542 7.740 -3.931 99 1HB CYS 9 2HB CYS 9 4.773 9.610 -2.862 100 2HB CYS 9 3HB CYS 9 5.806 9.714 -4.282 101 HA PRO 10 HA PRO 10 4.370 6.295 -8.074 102 1HB PRO 10 2HB PRO 10 1.805 6.501 -8.938 103 2HB PRO 10 3HB PRO 10 2.372 5.172 -7.921 104 1HG PRO 10 2HG PRO 10 0.887 7.650 -7.141 105 2HG PRO 10 3HG PRO 10 0.639 5.980 -6.600 106 1HD PRO 10 2HD PRO 10 1.973 7.810 -5.115 107 2HD PRO 10 3HD PRO 10 2.373 6.081 -5.085 108 H LYS 11 H LYS 11 3.482 9.363 -7.010 109 HA LYS 11 HA LYS 11 3.280 10.486 -9.703 110 1HB LYS 11 2HB LYS 11 2.351 11.260 -7.059 111 2HB LYS 11 3HB LYS 11 3.175 12.584 -7.873 112 1HG LYS 11 2HG LYS 11 0.817 12.692 -8.332 113 2HG LYS 11 3HG LYS 11 1.686 12.284 -9.813 114 1HD LYS 11 2HD LYS 11 1.179 9.854 -9.256 115 2HD LYS 11 3HD LYS 11 0.051 10.476 -8.049 116 1HE LYS 11 2HE LYS 11 -0.018 11.085 -11.003 117 2HE LYS 11 3HE LYS 11 -1.068 9.944 -10.166 118 1HZ LYS 11 1HZ LYS 11 -2.436 11.621 -9.769 119 2HZ LYS 11 2HZ LYS 11 -1.358 12.738 -10.440 120 3HZ LYS 11 3HZ LYS 11 -1.255 12.345 -8.797 121 H CYS 12 H CYS 12 5.276 10.702 -6.787 122 HA CYS 12 HA CYS 12 7.289 12.180 -8.346 123 1HB CYS 12 2HB CYS 12 7.232 11.945 -5.342 124 2HB CYS 12 3HB CYS 12 8.105 13.113 -6.325 125 H GLY 13 H GLY 13 7.101 9.764 -5.720 126 1HA GLY 13 2HA GLY 13 8.169 7.577 -6.194 127 2HA GLY 13 3HA GLY 13 9.497 8.491 -6.894 128 H LEU 14 H LEU 14 7.848 9.439 -3.953 129 HA LEU 14 HA LEU 14 10.371 9.120 -2.505 130 1HB LEU 14 2HB LEU 14 9.653 11.261 -2.130 131 2HB LEU 14 3HB LEU 14 7.949 10.812 -2.177 132 HG LEU 14 HG LEU 14 8.184 9.817 0.074 133 1HD1 LEU 14 1HD1 LEU 14 10.831 11.173 0.342 134 2HD1 LEU 14 2HD1 LEU 14 10.742 9.534 -0.302 135 3HD1 LEU 14 3HD1 LEU 14 10.126 9.881 1.312 136 1HD2 LEU 14 1HD2 LEU 14 8.213 11.892 1.273 137 2HD2 LEU 14 2HD2 LEU 14 7.443 12.165 -0.291 138 3HD2 LEU 14 3HD2 LEU 14 9.108 12.686 -0.024 139 H TYR 15 H TYR 15 10.657 7.650 -0.946 140 HA TYR 15 HA TYR 15 8.586 5.707 -0.463 141 1HB TYR 15 2HB TYR 15 11.470 5.890 -0.082 142 2HB TYR 15 3HB TYR 15 10.662 5.142 1.291 143 HD1 TYR 15 1HD TYR 15 10.629 4.975 -2.446 144 HD2 TYR 15 2HD TYR 15 10.361 2.857 1.235 145 HE1 TYR 15 1HE TYR 15 10.507 2.853 -3.684 146 HE2 TYR 15 2HE TYR 15 10.238 0.729 0.007 147 HH TYR 15 HH TYR 15 10.492 0.628 -3.528 148 H THR 16 H THR 16 7.575 5.253 1.482 149 HA THR 16 HA THR 16 8.116 6.521 3.934 150 HB THR 16 HB THR 16 7.290 8.527 2.726 151 HG1 THR 16 1HG THR 16 6.323 9.167 4.524 152 1HG2 THR 16 1HG2 THR 16 4.489 7.886 2.789 153 2HG2 THR 16 2HG2 THR 16 5.346 6.741 1.758 154 3HG2 THR 16 3HG2 THR 16 5.467 8.473 1.445 155 H LEU 17 H LEU 17 6.088 6.360 5.431 156 HA LEU 17 HA LEU 17 4.597 3.917 4.735 157 1HB LEU 17 2HB LEU 17 5.971 4.652 7.300 158 2HB LEU 17 3HB LEU 17 4.673 3.461 7.251 159 HG LEU 17 HG LEU 17 6.986 3.072 5.424 160 1HD1 LEU 17 1HD1 LEU 17 8.488 3.117 7.061 161 2HD1 LEU 17 2HD1 LEU 17 7.680 1.700 7.732 162 3HD1 LEU 17 3HD1 LEU 17 7.242 3.313 8.295 163 1HD2 LEU 17 1HD2 LEU 17 5.170 1.519 5.292 164 2HD2 LEU 17 2HD2 LEU 17 5.183 1.276 7.039 165 3HD2 LEU 17 3HD2 LEU 17 6.534 0.705 6.058 166 H LYS 18 H LYS 18 4.295 7.097 5.221 167 HA LYS 18 HA LYS 18 2.021 7.139 6.991 168 1HB LYS 18 2HB LYS 18 2.919 9.347 5.142 169 2HB LYS 18 3HB LYS 18 1.968 9.494 6.615 170 1HG LYS 18 2HG LYS 18 3.918 8.767 7.923 171 2HG LYS 18 3HG LYS 18 4.865 8.694 6.435 172 1HD LYS 18 2HD LYS 18 5.286 10.782 7.603 173 2HD LYS 18 3HD LYS 18 4.454 11.093 6.076 174 1HE LYS 18 2HE LYS 18 2.516 11.734 7.108 175 2HE LYS 18 3HE LYS 18 2.807 10.725 8.524 176 1HZ LYS 18 1HZ LYS 18 3.570 12.507 9.564 177 2HZ LYS 18 2HZ LYS 18 3.358 13.459 8.181 178 3HZ LYS 18 3HZ LYS 18 4.822 12.648 8.433 179 H GLU 19 H GLU 19 2.406 6.115 3.893 180 HA GLU 19 HA GLU 19 0.972 5.614 2.201 181 1HB GLU 19 2HB GLU 19 -1.206 6.396 4.146 182 2HB GLU 19 3HB GLU 19 -1.395 5.415 2.699 183 1HG GLU 19 2HG GLU 19 0.524 4.041 4.066 184 2HG GLU 19 3HG GLU 19 -0.482 4.672 5.370 185 H ILE 20 H ILE 20 1.693 8.546 3.104 186 HA ILE 20 HA ILE 20 0.218 9.781 0.907 187 HB ILE 20 HB ILE 20 0.308 10.963 3.685 188 1HG1 ILE 20 2HG1 ILE 20 -1.395 9.174 3.298 189 2HG1 ILE 20 3HG1 ILE 20 -2.095 10.746 3.671 190 1HG2 ILE 20 1HG2 ILE 20 -1.384 12.465 2.042 191 2HG2 ILE 20 2HG2 ILE 20 0.180 12.948 2.698 192 3HG2 ILE 20 3HG2 ILE 20 0.086 12.204 1.101 193 1HD1 ILE 20 1HD1 ILE 20 -3.263 10.705 1.798 194 2HD1 ILE 20 2HD1 ILE 20 -1.799 10.476 0.841 195 3HD1 ILE 20 3HD1 ILE 20 -2.655 9.079 1.491 196 H CYS 21 H CYS 21 1.436 11.147 -0.263 197 HA CYS 21 HA CYS 21 4.227 11.368 0.332 198 1HB CYS 21 2HB CYS 21 3.414 11.135 -1.976 199 2HB CYS 21 3HB CYS 21 2.589 12.684 -1.846 200 HA PRO 22 HA PRO 22 3.689 15.058 2.803 201 1HB PRO 22 2HB PRO 22 6.307 15.282 3.486 202 2HB PRO 22 3HB PRO 22 5.208 14.133 4.258 203 1HG PRO 22 2HG PRO 22 7.209 13.671 2.080 204 2HG PRO 22 3HG PRO 22 6.856 12.675 3.504 205 1HD PRO 22 2HD PRO 22 5.896 12.087 1.042 206 2HD PRO 22 3HD PRO 22 5.000 11.715 2.529 207 H LYS 23 H LYS 23 5.246 14.630 -0.148 208 HA LYS 23 HA LYS 23 6.365 17.306 -0.300 209 1HB LYS 23 2HB LYS 23 6.888 14.873 -1.588 210 2HB LYS 23 3HB LYS 23 6.210 15.914 -2.834 211 1HG LYS 23 2HG LYS 23 8.602 16.116 -2.834 212 2HG LYS 23 3HG LYS 23 7.890 17.630 -2.270 213 1HD LYS 23 2HD LYS 23 8.219 16.302 0.074 214 2HD LYS 23 3HD LYS 23 9.589 15.690 -0.854 215 1HE LYS 23 2HE LYS 23 10.568 17.553 -0.004 216 2HE LYS 23 3HE LYS 23 9.831 18.280 -1.432 217 1HZ LYS 23 1HZ LYS 23 8.959 19.695 0.044 218 2HZ LYS 23 2HZ LYS 23 9.207 18.662 1.361 219 3HZ LYS 23 3HZ LYS 23 7.851 18.458 0.371 220 H CYS 24 H CYS 24 4.033 15.472 -2.289 221 HA CYS 24 HA CYS 24 2.780 18.015 -3.041 222 1HB CYS 24 2HB CYS 24 1.669 16.670 -4.823 223 2HB CYS 24 3HB CYS 24 3.426 16.648 -4.924 224 H GLY 25 H GLY 25 2.084 14.871 -1.608 225 1HA GLY 25 2HA GLY 25 0.440 14.963 0.252 226 2HA GLY 25 3HA GLY 25 -0.568 15.916 -0.826 227 H GLU 26 H GLU 26 0.216 14.181 -3.130 228 HA GLU 26 HA GLU 26 -1.966 12.505 -3.221 229 1HB GLU 26 2HB GLU 26 -0.567 13.136 -5.170 230 2HB GLU 26 3HB GLU 26 0.684 12.041 -4.599 231 1HG GLU 26 2HG GLU 26 -0.895 11.235 -6.444 232 2HG GLU 26 3HG GLU 26 -0.558 10.151 -5.096 233 H LYS 27 H LYS 27 -2.387 10.389 -2.728 234 HA LYS 27 HA LYS 27 -1.042 9.246 -0.534 235 1HB LYS 27 2HB LYS 27 -2.821 7.734 -2.442 236 2HB LYS 27 3HB LYS 27 -2.560 7.425 -0.730 237 1HG LYS 27 2HG LYS 27 -3.525 9.961 -0.665 238 2HG LYS 27 3HG LYS 27 -4.385 9.295 -2.055 239 1HD LYS 27 2HD LYS 27 -4.261 7.990 0.662 240 2HD LYS 27 3HD LYS 27 -5.590 9.009 0.104 241 1HE LYS 27 2HE LYS 27 -5.584 7.342 -1.927 242 2HE LYS 27 3HE LYS 27 -4.786 6.274 -0.773 243 1HZ LYS 27 1HZ LYS 27 -7.536 7.085 -0.914 244 2HZ LYS 27 2HZ LYS 27 -6.879 7.266 0.635 245 3HZ LYS 27 3HZ LYS 27 -6.840 5.757 -0.128 246 H THR 28 H THR 28 0.359 7.520 -0.364 247 HA THR 28 HA THR 28 2.001 7.026 -2.706 248 HB THR 28 HB THR 28 3.244 5.547 -0.896 249 HG1 THR 28 1HG THR 28 2.922 6.564 1.195 250 1HG2 THR 28 1HG2 THR 28 3.465 8.205 -1.827 251 2HG2 THR 28 2HG2 THR 28 4.729 7.191 -1.133 252 3HG2 THR 28 3HG2 THR 28 3.770 8.242 -0.091 253 H VAL 29 H VAL 29 2.652 4.858 -3.323 254 HA VAL 29 HA VAL 29 0.735 2.752 -2.614 255 HB VAL 29 HB VAL 29 0.450 2.073 -4.908 256 1HG1 VAL 29 1HG1 VAL 29 0.012 5.040 -4.952 257 2HG1 VAL 29 2HG1 VAL 29 -0.997 3.759 -5.628 258 3HG1 VAL 29 3HG1 VAL 29 -0.916 3.991 -3.881 259 1HG2 VAL 29 1HG2 VAL 29 2.121 2.493 -6.323 260 2HG2 VAL 29 2HG2 VAL 29 1.439 4.110 -6.494 261 3HG2 VAL 29 3HG2 VAL 29 2.733 3.817 -5.331 262 H ILE 30 H ILE 30 1.487 0.596 -3.020 263 HA ILE 30 HA ILE 30 4.185 0.192 -2.330 264 HB ILE 30 HB ILE 30 2.383 -1.868 -3.595 265 1HG1 ILE 30 2HG1 ILE 30 1.137 -0.854 -1.793 266 2HG1 ILE 30 3HG1 ILE 30 1.719 -2.425 -1.251 267 1HG2 ILE 30 1HG2 ILE 30 3.713 -3.349 -1.997 268 2HG2 ILE 30 2HG2 ILE 30 4.551 -2.738 -3.421 269 3HG2 ILE 30 3HG2 ILE 30 4.822 -1.986 -1.850 270 1HD1 ILE 30 1HD1 ILE 30 3.682 -0.531 -0.549 271 2HD1 ILE 30 2HD1 ILE 30 2.117 0.134 -0.082 272 3HD1 ILE 30 3HD1 ILE 30 2.614 -1.449 0.513 273 HA PRO 31 HA PRO 31 5.841 0.767 -6.458 274 1HB PRO 31 2HB PRO 31 8.441 0.594 -5.696 275 2HB PRO 31 3HB PRO 31 7.472 2.055 -5.477 276 1HG PRO 31 2HG PRO 31 8.151 -0.082 -3.494 277 2HG PRO 31 3HG PRO 31 8.139 1.678 -3.281 278 1HD PRO 31 2HD PRO 31 6.118 0.095 -2.425 279 2HD PRO 31 3HD PRO 31 5.853 1.754 -2.995 280 H LYS 32 H LYS 32 4.966 -1.328 -7.091 281 HA LYS 32 HA LYS 32 6.195 -3.782 -6.492 282 1HB LYS 32 2HB LYS 32 4.199 -2.793 -8.396 283 2HB LYS 32 3HB LYS 32 5.135 -4.152 -9.005 284 1HG LYS 32 2HG LYS 32 4.444 -5.546 -7.224 285 2HG LYS 32 3HG LYS 32 3.767 -4.183 -6.329 286 1HD LYS 32 2HD LYS 32 2.742 -4.918 -9.051 287 2HD LYS 32 3HD LYS 32 2.156 -5.739 -7.603 288 1HE LYS 32 2HE LYS 32 2.190 -2.750 -7.738 289 2HE LYS 32 3HE LYS 32 0.888 -3.658 -8.507 290 1HZ LYS 32 1HZ LYS 32 1.585 -4.265 -5.721 291 2HZ LYS 32 2HZ LYS 32 0.093 -4.388 -6.507 292 3HZ LYS 32 3HZ LYS 32 0.683 -2.871 -6.046 293 HA PRO 33 HA PRO 33 9.808 -3.964 -8.974 294 1HB PRO 33 2HB PRO 33 9.762 -6.518 -9.892 295 2HB PRO 33 3HB PRO 33 10.112 -6.109 -8.209 296 1HG PRO 33 2HG PRO 33 7.548 -7.050 -9.434 297 2HG PRO 33 3HG PRO 33 8.308 -7.543 -7.909 298 1HD PRO 33 2HD PRO 33 6.260 -5.775 -8.012 299 2HD PRO 33 3HD PRO 33 7.534 -5.691 -6.778 300 HA PRO 34 HA PRO 34 9.033 -3.277 -13.246 301 1HB PRO 34 2HB PRO 34 11.244 -4.316 -14.433 302 2HB PRO 34 3HB PRO 34 11.273 -2.821 -13.491 303 1HG PRO 34 2HG PRO 34 12.060 -5.591 -12.673 304 2HG PRO 34 3HG PRO 34 12.879 -4.052 -12.347 305 1HD PRO 34 2HD PRO 34 11.324 -5.292 -10.510 306 2HD PRO 34 3HD PRO 34 11.467 -3.525 -10.602 307 H LYS 35 H LYS 35 9.213 -4.453 -15.486 308 HA LYS 35 HA LYS 35 7.487 -6.699 -15.377 309 1HB LYS 35 2HB LYS 35 7.659 -6.731 -17.791 310 2HB LYS 35 3HB LYS 35 7.514 -5.067 -17.241 311 1HG LYS 35 2HG LYS 35 9.834 -4.664 -17.607 312 2HG LYS 35 3HG LYS 35 10.137 -6.375 -17.919 313 1HD LYS 35 2HD LYS 35 8.611 -6.210 -19.887 314 2HD LYS 35 3HD LYS 35 8.524 -4.469 -19.612 315 1HE LYS 35 2HE LYS 35 10.179 -4.729 -21.249 316 2HE LYS 35 3HE LYS 35 11.072 -4.494 -19.747 317 1HZ LYS 35 1HZ LYS 35 11.235 -6.964 -19.611 318 2HZ LYS 35 2HZ LYS 35 12.077 -6.280 -20.909 319 3HZ LYS 35 3HZ LYS 35 10.595 -7.049 -21.175 320 H PHE 36 H PHE 36 7.885 -8.836 -16.192 321 HA PHE 36 HA PHE 36 10.660 -9.708 -15.735 322 1HB PHE 36 2HB PHE 36 9.655 -11.935 -15.203 323 2HB PHE 36 3HB PHE 36 9.174 -10.656 -14.093 324 HD1 PHE 36 1HD PHE 36 6.908 -9.957 -13.914 325 HD2 PHE 36 2HD PHE 36 8.065 -12.790 -16.873 326 HE1 PHE 36 1HE PHE 36 4.540 -10.478 -14.338 327 HE2 PHE 36 2HE PHE 36 5.700 -13.315 -17.302 328 HZ PHE 36 HZ PHE 36 3.934 -12.157 -16.035 329 H SER 37 H SER 37 7.963 -9.770 -17.924 330 HA SER 37 HA SER 37 9.638 -11.200 -19.878 331 1HB SER 37 2HB SER 37 6.784 -11.682 -19.120 332 2HB SER 37 3HB SER 37 7.279 -11.957 -20.789 333 HG SER 37 HG SER 37 7.538 -13.856 -19.625 334 H LEU 38 H LEU 38 8.952 -10.788 -22.154 335 HA LEU 38 HA LEU 38 8.926 -8.047 -22.709 336 1HB LEU 38 2HB LEU 38 8.570 -10.530 -24.298 337 2HB LEU 38 3HB LEU 38 8.098 -9.004 -25.042 338 HG LEU 38 HG LEU 38 10.354 -9.650 -25.696 339 1HD1 LEU 38 1HD1 LEU 38 10.640 -7.333 -23.817 340 2HD1 LEU 38 2HD1 LEU 38 9.631 -7.227 -25.259 341 3HD1 LEU 38 3HD1 LEU 38 11.354 -7.567 -25.412 342 1HD2 LEU 38 1HD2 LEU 38 12.156 -9.797 -24.107 343 2HD2 LEU 38 2HD2 LEU 38 10.888 -10.934 -23.647 344 3HD2 LEU 38 3HD2 LEU 38 11.065 -9.411 -22.776 345 H GLU 39 H GLU 39 6.338 -10.294 -22.182 346 HA GLU 39 HA GLU 39 4.404 -8.151 -22.773 347 1HB GLU 39 2HB GLU 39 2.766 -10.013 -23.243 348 2HB GLU 39 3HB GLU 39 4.053 -9.821 -24.426 349 1HG GLU 39 2HG GLU 39 5.280 -11.664 -23.304 350 2HG GLU 39 3HG GLU 39 3.879 -11.903 -22.262 351 H ASP 40 H ASP 40 3.462 -7.417 -21.000 352 HA ASP 40 HA ASP 40 2.965 -9.294 -18.784 353 1HB ASP 40 2HB ASP 40 4.082 -6.515 -18.746 354 2HB ASP 40 3HB ASP 40 3.148 -7.092 -17.369 355 H ARG 41 H ARG 41 1.090 -8.903 -17.514 356 HA ARG 41 HA ARG 41 -1.198 -8.237 -18.971 357 1HB ARG 41 2HB ARG 41 -1.025 -9.663 -16.866 358 2HB ARG 41 3HB ARG 41 -1.015 -8.154 -15.963 359 1HG ARG 41 2HG ARG 41 -3.199 -8.527 -17.921 360 2HG ARG 41 3HG ARG 41 -3.238 -9.525 -16.467 361 1HD ARG 41 2HD ARG 41 -2.710 -6.616 -16.161 362 2HD ARG 41 3HD ARG 41 -4.353 -7.125 -16.550 363 HE ARG 41 HE ARG 41 -3.255 -8.606 -14.372 364 1HH1 ARG 41 2HH1 ARG 41 -4.758 -5.588 -15.241 365 2HH1 ARG 41 1HH1 ARG 41 -5.404 -5.305 -13.659 366 1HH2 ARG 41 2HH2 ARG 41 -4.100 -8.244 -12.285 367 2HH2 ARG 41 1HH2 ARG 41 -5.028 -6.815 -11.978 368 H TRP 42 H TRP 42 0.012 -6.465 -16.120 369 HA TRP 42 HA TRP 42 -1.233 -4.036 -17.196 370 1HB TRP 42 2HB TRP 42 -1.523 -5.042 -14.746 371 2HB TRP 42 3HB TRP 42 -0.057 -4.108 -14.458 372 HD1 TRP 42 1HD TRP 42 -3.722 -3.613 -15.556 373 HE1 TRP 42 1HE TRP 42 -4.401 -1.189 -15.020 374 HE3 TRP 42 3HE TRP 42 0.809 -1.825 -14.006 375 HZ2 TRP 42 2HZ TRP 42 -3.177 1.169 -14.066 376 HZ3 TRP 42 3HZ TRP 42 0.970 0.525 -13.298 377 HH2 TRP 42 2HH TRP 42 -0.983 1.990 -13.329 378 H GLY 43 H GLY 43 1.827 -5.480 -16.491 379 1HA GLY 43 2HA GLY 43 3.472 -3.269 -16.152 380 2HA GLY 43 3HA GLY 43 3.972 -4.776 -16.906 381 H LYS 44 H LYS 44 1.937 -4.448 -19.050 382 HA LYS 44 HA LYS 44 3.584 -3.081 -20.913 383 1HB LYS 44 2HB LYS 44 1.713 -3.480 -22.500 384 2HB LYS 44 3HB LYS 44 2.221 -4.931 -21.648 385 1HG LYS 44 2HG LYS 44 0.322 -4.784 -20.172 386 2HG LYS 44 3HG LYS 44 -0.158 -3.245 -20.893 387 1HD LYS 44 2HD LYS 44 0.159 -5.612 -22.672 388 2HD LYS 44 3HD LYS 44 -1.268 -5.523 -21.638 389 1HE LYS 44 2HE LYS 44 -1.765 -3.294 -22.568 390 2HE LYS 44 3HE LYS 44 -0.374 -3.450 -23.639 391 1HZ LYS 44 1HZ LYS 44 -2.741 -4.076 -24.467 392 2HZ LYS 44 2HZ LYS 44 -2.441 -5.536 -23.667 393 3HZ LYS 44 3HZ LYS 44 -1.413 -5.027 -24.911 394 H TYR 45 H TYR 45 0.795 -2.168 -19.021 395 HA TYR 45 HA TYR 45 -0.031 0.102 -20.413 396 1HB TYR 45 2HB TYR 45 -1.326 -0.862 -18.577 397 2HB TYR 45 3HB TYR 45 -0.071 -0.406 -17.431 398 HD1 TYR 45 1HD TYR 45 -2.864 0.780 -19.463 399 HD2 TYR 45 2HD TYR 45 0.234 1.931 -16.783 400 HE1 TYR 45 1HE TYR 45 -3.969 2.951 -19.128 401 HE2 TYR 45 2HE TYR 45 -0.864 4.105 -16.439 402 HH TYR 45 HH TYR 45 -2.959 5.428 -18.345 403 H ARG 46 H ARG 46 2.756 -0.439 -18.443 404 HA ARG 46 HA ARG 46 3.410 2.098 -17.570 405 1HB ARG 46 2HB ARG 46 4.729 0.221 -16.880 406 2HB ARG 46 3HB ARG 46 5.186 -0.141 -18.539 407 1HG ARG 46 2HG ARG 46 6.807 1.429 -18.582 408 2HG ARG 46 3HG ARG 46 5.914 2.536 -17.539 409 1HD ARG 46 2HD ARG 46 7.053 1.850 -15.760 410 2HD ARG 46 3HD ARG 46 6.604 0.174 -16.073 411 HE ARG 46 HE ARG 46 9.118 1.409 -16.625 412 1HH1 ARG 46 2HH1 ARG 46 6.910 -1.067 -17.678 413 2HH1 ARG 46 1HH1 ARG 46 8.142 -2.035 -18.416 414 1HH2 ARG 46 2HH2 ARG 46 10.750 0.144 -17.594 415 2HH2 ARG 46 1HH2 ARG 46 10.326 -1.345 -18.368 416 H ARG 47 H ARG 47 3.610 0.747 -20.784 417 HA ARG 47 HA ARG 47 5.337 2.600 -21.971 418 1HB ARG 47 2HB ARG 47 3.225 0.747 -22.953 419 2HB ARG 47 3HB ARG 47 3.777 2.006 -24.049 420 1HG ARG 47 2HG ARG 47 6.066 1.210 -23.838 421 2HG ARG 47 3HG ARG 47 5.536 -0.034 -22.703 422 1HD ARG 47 2HD ARG 47 5.706 -1.131 -24.771 423 2HD ARG 47 3HD ARG 47 3.982 -0.832 -24.553 424 HE ARG 47 HE ARG 47 4.030 0.477 -26.417 425 1HH1 ARG 47 2HH1 ARG 47 7.274 0.169 -25.191 426 2HH1 ARG 47 1HH1 ARG 47 7.997 1.005 -26.525 427 1HH2 ARG 47 2HH2 ARG 47 4.970 1.581 -28.178 428 2HH2 ARG 47 1HH2 ARG 47 6.686 1.809 -28.223 429 H MET 48 H MET 48 1.925 2.774 -21.203 430 HA MET 48 HA MET 48 1.635 5.312 -22.606 431 1HB MET 48 2HB MET 48 -0.269 3.447 -21.226 432 2HB MET 48 3HB MET 48 -0.750 5.098 -21.594 433 1HG MET 48 2HG MET 48 0.260 3.138 -23.639 434 2HG MET 48 3HG MET 48 -1.443 3.417 -23.284 435 1HE MET 48 1HE MET 48 1.533 6.072 -25.435 436 2HE MET 48 2HE MET 48 1.820 4.613 -24.486 437 3HE MET 48 3HE MET 48 1.085 4.495 -26.085 438 H LEU 49 H LEU 49 2.182 4.086 -19.430 439 HA LEU 49 HA LEU 49 1.164 6.060 -17.794 440 1HB LEU 49 2HB LEU 49 2.141 4.097 -16.856 441 2HB LEU 49 3HB LEU 49 3.709 4.469 -17.568 442 HG LEU 49 HG LEU 49 3.777 6.495 -16.061 443 1HD1 LEU 49 1HD1 LEU 49 1.512 5.065 -14.679 444 2HD1 LEU 49 2HD1 LEU 49 1.360 6.567 -15.590 445 3HD1 LEU 49 3HD1 LEU 49 2.337 6.521 -14.123 446 1HD2 LEU 49 1HD2 LEU 49 3.913 3.658 -15.172 447 2HD2 LEU 49 2HD2 LEU 49 4.092 4.931 -13.964 448 3HD2 LEU 49 3HD2 LEU 49 5.198 4.854 -15.337 449 H LYS 50 H LYS 50 4.637 5.954 -18.549 450 HA LYS 50 HA LYS 50 4.991 8.720 -18.031 451 1HB LYS 50 2HB LYS 50 6.869 6.998 -19.639 452 2HB LYS 50 3HB LYS 50 7.262 8.395 -18.646 453 1HG LYS 50 2HG LYS 50 6.599 7.098 -16.643 454 2HG LYS 50 3HG LYS 50 6.361 5.690 -17.680 455 1HD LYS 50 2HD LYS 50 8.526 5.455 -16.771 456 2HD LYS 50 3HD LYS 50 8.764 6.014 -18.428 457 1HE LYS 50 2HE LYS 50 9.187 8.247 -17.684 458 2HE LYS 50 3HE LYS 50 8.719 7.841 -16.033 459 1HZ LYS 50 1HZ LYS 50 10.978 7.724 -15.878 460 2HZ LYS 50 2HZ LYS 50 11.190 7.204 -17.474 461 3HZ LYS 50 3HZ LYS 50 10.648 6.118 -16.296 462 H ARG 51 H ARG 51 4.156 10.262 -19.274 463 HA ARG 51 HA ARG 51 3.534 9.885 -22.031 464 1HB ARG 51 2HB ARG 51 2.501 11.504 -20.222 465 2HB ARG 51 3HB ARG 51 3.735 12.608 -20.819 466 1HG ARG 51 2HG ARG 51 2.831 12.267 -23.115 467 2HG ARG 51 3HG ARG 51 1.514 11.334 -22.398 468 1HD ARG 51 2HD ARG 51 0.859 13.280 -21.071 469 2HD ARG 51 3HD ARG 51 2.181 14.210 -21.775 470 HE ARG 51 HE ARG 51 0.564 13.195 -23.837 471 1HH1 ARG 51 2HH1 ARG 51 0.490 15.547 -21.270 472 2HH1 ARG 51 1HH1 ARG 51 -0.627 16.592 -22.084 473 1HH2 ARG 51 2HH2 ARG 51 -0.908 14.563 -24.917 474 2HH2 ARG 51 1HH2 ARG 51 -1.422 16.031 -24.157 475 H ALA 52 H ALA 52 4.606 10.524 -23.836 476 HA ALA 52 HA ALA 52 7.418 11.058 -23.590 477 1HB ALA 52 1HB ALA 52 7.570 10.351 -25.717 478 2HB ALA 52 2HB ALA 52 5.924 9.776 -25.452 479 3HB ALA 52 3HB ALA 52 6.200 11.325 -26.248 480 H LEU 53 H LEU 53 4.642 12.826 -24.949 481 HA LEU 53 HA LEU 53 6.128 15.157 -25.585 482 1HB LEU 53 2HB LEU 53 3.585 14.219 -26.094 483 2HB LEU 53 3HB LEU 53 3.303 15.599 -25.033 484 HG LEU 53 HG LEU 53 4.626 16.999 -26.618 485 1HD1 LEU 53 1HD1 LEU 53 4.747 14.394 -28.064 486 2HD1 LEU 53 2HD1 LEU 53 5.999 15.615 -27.835 487 3HD1 LEU 53 3HD1 LEU 53 4.691 15.897 -28.983 488 1HD2 LEU 53 1HD2 LEU 53 1.986 16.106 -26.786 489 2HD2 LEU 53 2HD2 LEU 53 2.601 16.062 -28.439 490 3HD2 LEU 53 3HD2 LEU 53 2.672 17.561 -27.511 491 H LYS 54 H LYS 54 6.505 16.997 -24.455 492 HA LYS 54 HA LYS 54 6.012 16.890 -21.585 493 1HB LYS 54 2HB LYS 54 8.267 17.416 -22.220 494 2HB LYS 54 3HB LYS 54 7.722 18.694 -23.298 495 1HG LYS 54 2HG LYS 54 8.647 19.634 -21.273 496 2HG LYS 54 3HG LYS 54 6.917 19.972 -21.369 497 1HD LYS 54 2HD LYS 54 6.405 18.370 -19.726 498 2HD LYS 54 3HD LYS 54 7.992 17.607 -19.858 499 1HE LYS 54 2HE LYS 54 8.823 19.995 -19.118 500 2HE LYS 54 3HE LYS 54 7.191 20.114 -18.462 501 1HZ LYS 54 1HZ LYS 54 9.048 17.879 -17.861 502 2HZ LYS 54 2HZ LYS 54 7.564 18.207 -17.115 503 3HZ LYS 54 3HZ LYS 54 8.877 19.248 -16.880 504 H ASN 55 H ASN 55 5.021 18.660 -24.414 505 HA ASN 55 HA ASN 55 3.906 20.910 -23.116 506 1HB ASN 55 2HB ASN 55 4.407 20.421 -25.664 507 2HB ASN 55 3HB ASN 55 2.734 19.869 -25.662 508 1HD2 ASN 55 1HD2 ASN 55 4.733 22.602 -24.622 509 2HD2 ASN 55 2HD2 ASN 55 3.570 23.820 -25.004 510 H LYS 56 H LYS 56 2.211 21.000 -21.813 511 HA LYS 56 HA LYS 56 0.364 18.764 -21.667 512 1HB LYS 56 2HB LYS 56 0.247 21.281 -20.017 513 2HB LYS 56 3HB LYS 56 -0.387 19.690 -19.619 514 1HG LYS 56 2HG LYS 56 2.121 18.977 -19.751 515 2HG LYS 56 3HG LYS 56 2.414 20.700 -19.504 516 1HD LYS 56 2HD LYS 56 0.645 19.031 -17.723 517 2HD LYS 56 3HD LYS 56 2.358 19.320 -17.407 518 1HE LYS 56 2HE LYS 56 0.228 21.441 -17.664 519 2HE LYS 56 3HE LYS 56 0.926 20.863 -16.152 520 1HZ LYS 56 1HZ LYS 56 3.136 21.573 -17.169 521 2HZ LYS 56 2HZ LYS 56 2.099 22.796 -16.631 522 3HZ LYS 56 3HZ LYS 56 2.214 22.452 -18.283 523 H ASN 57 H ASN 57 -1.457 18.706 -22.793 524 HA ASN 57 HA ASN 57 -2.597 21.233 -23.770 525 1HB ASN 57 2HB ASN 57 -3.171 18.444 -24.787 526 2HB ASN 57 3HB ASN 57 -3.624 19.969 -25.544 527 1HD2 ASN 57 1HD2 ASN 57 -1.320 21.407 -25.359 528 2HD2 ASN 57 2HD2 ASN 57 -0.080 20.655 -26.299 529 H LYS 58 H LYS 58 -4.475 21.922 -22.987 530 HA LYS 58 HA LYS 58 -6.371 22.032 -21.729 531 1HB LYS 58 2HB LYS 58 -6.774 19.176 -22.630 532 2HB LYS 58 3HB LYS 58 -8.017 20.304 -22.107 533 1HG LYS 58 2HG LYS 58 -6.288 20.779 -24.519 534 2HG LYS 58 3HG LYS 58 -7.834 19.929 -24.587 535 1HD LYS 58 2HD LYS 58 -7.622 22.645 -23.335 536 2HD LYS 58 3HD LYS 58 -7.787 22.463 -25.084 537 1HE LYS 58 2HE LYS 58 -9.813 21.021 -24.599 538 2HE LYS 58 3HE LYS 58 -9.698 21.581 -22.932 539 1HZ LYS 58 1HZ LYS 58 -9.576 23.785 -24.689 540 2HZ LYS 58 2HZ LYS 58 -10.720 23.447 -23.491 541 3HZ LYS 58 3HZ LYS 58 -10.938 22.854 -25.060 542 H ALA 59 H ALA 59 -4.012 21.292 -20.329 543 HA ALA 59 HA ALA 59 -4.814 19.231 -18.436 544 1HB ALA 59 1HB ALA 59 -2.638 19.041 -17.891 545 2HB ALA 59 2HB ALA 59 -2.389 19.880 -19.422 546 3HB ALA 59 3HB ALA 59 -2.370 20.784 -17.909 547 H GLU 60 H GLU 60 -5.430 19.578 -16.357 548 HA GLU 60 HA GLU 60 -5.765 22.389 -15.537 549 1HB GLU 60 2HB GLU 60 -7.465 19.956 -15.040 550 2HB GLU 60 3HB GLU 60 -7.598 21.391 -14.034 551 1HG GLU 60 2HG GLU 60 -7.766 21.726 -16.978 552 2HG GLU 60 3HG GLU 60 -9.141 21.013 -16.135 Start of MODEL 20 1 1H GLY -2 H GLY -3 14.656 -4.262 -12.453 2 1HA GLY -2 2HA GLY -3 17.307 -5.505 -12.863 3 2HA GLY -2 3HA GLY -3 17.021 -4.187 -11.736 4 H SER -1 H SER -2 17.263 -7.513 -12.086 5 HA SER -1 HA SER -2 15.488 -8.557 -10.232 6 1HB SER -1 2HB SER -2 18.326 -9.536 -10.554 7 2HB SER -1 3HB SER -2 16.896 -10.477 -10.130 8 HG SER -1 HG SER -2 17.679 -10.566 -12.396 9 H HIS 0 H HIS -1 18.553 -6.921 -9.730 10 HA HIS 0 HA HIS -1 18.994 -7.548 -7.050 11 1HB HIS 0 2HB HIS -1 19.615 -4.891 -8.347 12 2HB HIS 0 3HB HIS -1 20.436 -5.625 -6.973 13 HD1 HIS 0 1HD HIS -1 20.458 -5.475 -10.639 14 HD2 HIS 0 2HD HIS -1 22.061 -7.905 -7.675 15 HE1 HIS 0 1HE HIS -1 22.256 -6.820 -11.771 16 H MET 1 H MET 1 16.826 -5.233 -8.526 17 HA MET 1 HA MET 1 16.235 -3.700 -6.241 18 1HB MET 1 2HB MET 1 15.609 -3.393 -8.789 19 2HB MET 1 3HB MET 1 14.139 -4.226 -8.303 20 1HG MET 1 2HG MET 1 13.580 -2.524 -6.756 21 2HG MET 1 3HG MET 1 15.167 -1.774 -6.909 22 1HE MET 1 1HE MET 1 15.004 0.743 -9.149 23 2HE MET 1 2HE MET 1 16.008 -0.527 -8.451 24 3HE MET 1 3HE MET 1 15.567 -0.590 -10.158 25 H VAL 2 H VAL 2 14.931 -4.026 -4.538 26 HA VAL 2 HA VAL 2 13.142 -6.363 -4.574 27 HB VAL 2 HB VAL 2 14.779 -5.558 -2.171 28 1HG1 VAL 2 1HG1 VAL 2 13.302 -6.850 -1.117 29 2HG1 VAL 2 2HG1 VAL 2 12.594 -7.400 -2.637 30 3HG1 VAL 2 3HG1 VAL 2 14.012 -8.216 -1.977 31 1HG2 VAL 2 1HG2 VAL 2 15.890 -7.863 -2.772 32 2HG2 VAL 2 2HG2 VAL 2 15.378 -7.437 -4.406 33 3HG2 VAL 2 3HG2 VAL 2 16.457 -6.366 -3.513 34 H GLU 3 H GLU 3 11.186 -6.106 -3.589 35 HA GLU 3 HA GLU 3 10.334 -3.418 -3.062 36 1HB GLU 3 2HB GLU 3 8.130 -4.330 -2.840 37 2HB GLU 3 3HB GLU 3 8.914 -5.145 -4.186 38 1HG GLU 3 2HG GLU 3 9.506 -6.973 -2.508 39 2HG GLU 3 3HG GLU 3 8.327 -6.205 -1.446 40 H MET 4 H MET 4 9.237 -2.744 -1.098 41 HA MET 4 HA MET 4 10.223 -4.129 1.306 42 1HB MET 4 2HB MET 4 10.358 -1.236 0.566 43 2HB MET 4 3HB MET 4 10.184 -1.674 2.260 44 1HG MET 4 2HG MET 4 12.233 -2.857 2.259 45 2HG MET 4 3HG MET 4 12.354 -2.776 0.503 46 1HE MET 4 1HE MET 4 14.840 -1.124 2.942 47 2HE MET 4 2HE MET 4 14.614 -2.421 1.768 48 3HE MET 4 3HE MET 4 15.330 -0.890 1.263 49 H ARG 5 H ARG 5 8.978 -3.593 3.286 50 HA ARG 5 HA ARG 5 6.237 -4.055 2.908 51 1HB ARG 5 2HB ARG 5 6.072 -3.503 5.371 52 2HB ARG 5 3HB ARG 5 7.211 -4.774 4.949 53 1HG ARG 5 2HG ARG 5 9.070 -3.339 5.264 54 2HG ARG 5 3HG ARG 5 8.033 -1.915 5.372 55 1HD ARG 5 2HD ARG 5 8.300 -2.231 7.591 56 2HD ARG 5 3HD ARG 5 6.997 -3.397 7.362 57 HE ARG 5 HE ARG 5 9.369 -4.753 6.910 58 1HH1 ARG 5 2HH1 ARG 5 7.828 -3.064 9.536 59 2HH1 ARG 5 1HH1 ARG 5 8.578 -4.027 10.767 60 1HH2 ARG 5 2HH2 ARG 5 10.361 -6.026 8.521 61 2HH2 ARG 5 1HH2 ARG 5 10.020 -5.710 10.188 62 H MET 6 H MET 6 8.072 -1.132 3.042 63 HA MET 6 HA MET 6 5.867 0.593 3.674 64 1HB MET 6 2HB MET 6 7.379 2.389 3.389 65 2HB MET 6 3HB MET 6 8.322 1.086 4.099 66 1HG MET 6 2HG MET 6 8.709 0.617 1.463 67 2HG MET 6 3HG MET 6 8.545 2.372 1.473 68 1HE MET 6 1HE MET 6 9.954 2.621 4.755 69 2HE MET 6 2HE MET 6 11.302 3.454 3.979 70 3HE MET 6 3HE MET 6 9.651 3.743 3.427 71 H LYS 7 H LYS 7 5.962 2.636 1.905 72 HA LYS 7 HA LYS 7 5.354 1.449 -0.715 73 1HB LYS 7 2HB LYS 7 3.420 3.083 -0.852 74 2HB LYS 7 3HB LYS 7 3.205 1.726 0.246 75 1HG LYS 7 2HG LYS 7 4.264 3.579 1.916 76 2HG LYS 7 3HG LYS 7 3.355 4.601 0.799 77 1HD LYS 7 2HD LYS 7 2.262 2.244 2.336 78 2HD LYS 7 3HD LYS 7 1.985 3.946 2.714 79 1HE LYS 7 2HE LYS 7 0.866 4.245 0.564 80 2HE LYS 7 3HE LYS 7 1.166 2.554 0.164 81 1HZ LYS 7 1HZ LYS 7 -0.846 3.712 1.880 82 2HZ LYS 7 2HZ LYS 7 -0.077 2.357 2.536 83 3HZ LYS 7 3HZ LYS 7 -0.855 2.245 1.039 84 H LYS 8 H LYS 8 4.862 3.415 -2.298 85 HA LYS 8 HA LYS 8 6.643 5.666 -1.783 86 1HB LYS 8 2HB LYS 8 8.017 3.863 -2.848 87 2HB LYS 8 3HB LYS 8 6.956 3.945 -4.249 88 1HG LYS 8 2HG LYS 8 7.577 6.393 -4.408 89 2HG LYS 8 3HG LYS 8 8.838 6.048 -3.222 90 1HD LYS 8 2HD LYS 8 9.905 5.854 -5.303 91 2HD LYS 8 3HD LYS 8 9.583 4.191 -4.807 92 1HE LYS 8 2HE LYS 8 7.332 4.665 -6.159 93 2HE LYS 8 3HE LYS 8 8.394 5.793 -7.001 94 1HZ LYS 8 1HZ LYS 8 8.997 4.035 -8.202 95 2HZ LYS 8 2HZ LYS 8 8.310 2.929 -7.123 96 3HZ LYS 8 3HZ LYS 8 9.871 3.520 -6.848 97 H CYS 9 H CYS 9 6.198 7.493 -3.026 98 HA CYS 9 HA CYS 9 3.517 7.691 -3.977 99 1HB CYS 9 2HB CYS 9 4.709 9.553 -2.847 100 2HB CYS 9 3HB CYS 9 5.776 9.685 -4.239 101 HA PRO 10 HA PRO 10 4.495 6.298 -8.108 102 1HB PRO 10 2HB PRO 10 1.949 6.455 -9.038 103 2HB PRO 10 3HB PRO 10 2.521 5.126 -8.022 104 1HG PRO 10 2HG PRO 10 0.956 7.561 -7.255 105 2HG PRO 10 3HG PRO 10 0.734 5.879 -6.739 106 1HD PRO 10 2HD PRO 10 1.984 7.722 -5.199 107 2HD PRO 10 3HD PRO 10 2.424 6.002 -5.177 108 H LYS 11 H LYS 11 3.481 9.332 -7.037 109 HA LYS 11 HA LYS 11 3.313 10.483 -9.716 110 1HB LYS 11 2HB LYS 11 2.344 11.209 -7.074 111 2HB LYS 11 3HB LYS 11 3.160 12.556 -7.858 112 1HG LYS 11 2HG LYS 11 0.806 12.638 -8.342 113 2HG LYS 11 3HG LYS 11 1.700 12.269 -9.819 114 1HD LYS 11 2HD LYS 11 1.108 9.953 -9.676 115 2HD LYS 11 3HD LYS 11 0.402 10.180 -8.075 116 1HE LYS 11 2HE LYS 11 -1.059 11.959 -9.411 117 2HE LYS 11 3HE LYS 11 -0.671 10.882 -10.752 118 1HZ LYS 11 1HZ LYS 11 -2.488 10.493 -8.579 119 2HZ LYS 11 2HZ LYS 11 -1.408 9.199 -8.738 120 3HZ LYS 11 3HZ LYS 11 -2.373 9.661 -10.049 121 H CYS 12 H CYS 12 5.261 10.740 -6.766 122 HA CYS 12 HA CYS 12 7.271 12.252 -8.292 123 1HB CYS 12 2HB CYS 12 7.189 11.981 -5.292 124 2HB CYS 12 3HB CYS 12 8.048 13.178 -6.253 125 H GLY 13 H GLY 13 7.089 9.794 -5.707 126 1HA GLY 13 2HA GLY 13 8.213 7.636 -6.234 127 2HA GLY 13 3HA GLY 13 9.546 8.605 -6.841 128 H LEU 14 H LEU 14 7.925 9.727 -4.019 129 HA LEU 14 HA LEU 14 10.335 9.329 -2.463 130 1HB LEU 14 2HB LEU 14 9.475 11.425 -2.072 131 2HB LEU 14 3HB LEU 14 7.805 10.866 -2.130 132 HG LEU 14 HG LEU 14 8.107 9.838 0.097 133 1HD1 LEU 14 1HD1 LEU 14 10.042 10.032 1.349 134 2HD1 LEU 14 2HD1 LEU 14 10.671 11.354 0.367 135 3HD1 LEU 14 3HD1 LEU 14 10.667 9.709 -0.268 136 1HD2 LEU 14 1HD2 LEU 14 7.936 11.859 1.329 137 2HD2 LEU 14 2HD2 LEU 14 7.247 12.174 -0.264 138 3HD2 LEU 14 3HD2 LEU 14 8.869 12.751 0.127 139 H TYR 15 H TYR 15 10.634 7.863 -0.893 140 HA TYR 15 HA TYR 15 8.608 5.826 -0.523 141 1HB TYR 15 2HB TYR 15 11.504 6.096 0.170 142 2HB TYR 15 3HB TYR 15 10.529 4.919 1.041 143 HD1 TYR 15 1HD TYR 15 11.945 5.830 -2.218 144 HD2 TYR 15 2HD TYR 15 9.683 2.941 -0.065 145 HE1 TYR 15 1HE TYR 15 12.235 4.234 -4.067 146 HE2 TYR 15 2HE TYR 15 9.967 1.337 -1.907 147 HH TYR 15 HH TYR 15 10.771 1.000 -3.948 148 H THR 16 H THR 16 7.606 5.299 1.398 149 HA THR 16 HA THR 16 8.190 6.439 3.905 150 HB THR 16 HB THR 16 7.350 8.504 2.806 151 HG1 THR 16 1HG THR 16 6.400 9.063 4.643 152 1HG2 THR 16 1HG2 THR 16 5.585 6.996 1.506 153 2HG2 THR 16 2HG2 THR 16 5.285 8.699 1.849 154 3HG2 THR 16 3HG2 THR 16 4.572 7.453 2.874 155 H LEU 17 H LEU 17 6.050 6.301 5.350 156 HA LEU 17 HA LEU 17 4.588 3.868 4.578 157 1HB LEU 17 2HB LEU 17 5.795 4.473 7.272 158 2HB LEU 17 3HB LEU 17 4.718 3.120 6.932 159 HG LEU 17 HG LEU 17 7.061 3.191 5.192 160 1HD1 LEU 17 1HD1 LEU 17 8.205 2.133 7.463 161 2HD1 LEU 17 2HD1 LEU 17 7.417 3.599 8.047 162 3HD1 LEU 17 3HD1 LEU 17 8.589 3.693 6.732 163 1HD2 LEU 17 1HD2 LEU 17 6.074 1.065 7.083 164 2HD2 LEU 17 2HD2 LEU 17 7.094 0.858 5.659 165 3HD2 LEU 17 3HD2 LEU 17 5.405 1.330 5.473 166 H LYS 18 H LYS 18 4.282 7.010 5.148 167 HA LYS 18 HA LYS 18 2.052 7.011 6.976 168 1HB LYS 18 2HB LYS 18 3.242 9.161 5.219 169 2HB LYS 18 3HB LYS 18 1.886 9.431 6.306 170 1HG LYS 18 2HG LYS 18 3.692 8.305 7.989 171 2HG LYS 18 3HG LYS 18 4.748 9.185 6.882 172 1HD LYS 18 2HD LYS 18 4.256 10.714 8.599 173 2HD LYS 18 3HD LYS 18 3.208 11.181 7.259 174 1HE LYS 18 2HE LYS 18 1.307 10.268 8.282 175 2HE LYS 18 3HE LYS 18 2.267 9.316 9.414 176 1HZ LYS 18 1HZ LYS 18 3.048 11.749 10.087 177 2HZ LYS 18 2HZ LYS 18 1.705 10.996 10.787 178 3HZ LYS 18 3HZ LYS 18 1.489 12.118 9.540 179 H GLU 19 H GLU 19 2.350 6.006 3.878 180 HA GLU 19 HA GLU 19 0.867 5.519 2.223 181 1HB GLU 19 2HB GLU 19 -1.269 6.380 4.179 182 2HB GLU 19 3HB GLU 19 -1.483 5.357 2.764 183 1HG GLU 19 2HG GLU 19 0.389 3.951 4.101 184 2HG GLU 19 3HG GLU 19 -0.476 4.698 5.443 185 H ILE 20 H ILE 20 1.668 8.444 3.097 186 HA ILE 20 HA ILE 20 0.191 9.694 0.911 187 HB ILE 20 HB ILE 20 0.377 10.945 3.654 188 1HG1 ILE 20 2HG1 ILE 20 -1.318 9.117 3.421 189 2HG1 ILE 20 3HG1 ILE 20 -2.015 10.693 3.779 190 1HG2 ILE 20 1HG2 ILE 20 -1.141 12.663 2.561 191 2HG2 ILE 20 2HG2 ILE 20 0.554 12.686 2.080 192 3HG2 ILE 20 3HG2 ILE 20 -0.652 11.960 1.020 193 1HD1 ILE 20 1HD1 ILE 20 -2.664 8.946 1.685 194 2HD1 ILE 20 2HD1 ILE 20 -3.289 10.569 1.980 195 3HD1 ILE 20 3HD1 ILE 20 -1.875 10.343 0.950 196 H CYS 21 H CYS 21 1.300 11.321 -0.136 197 HA CYS 21 HA CYS 21 4.149 11.424 0.417 198 1HB CYS 21 2HB CYS 21 3.393 11.073 -1.892 199 2HB CYS 21 3HB CYS 21 2.537 12.611 -1.852 200 HA PRO 22 HA PRO 22 3.480 15.222 2.705 201 1HB PRO 22 2HB PRO 22 6.050 15.444 3.552 202 2HB PRO 22 3HB PRO 22 4.882 14.350 4.303 203 1HG PRO 22 2HG PRO 22 7.017 13.752 2.289 204 2HG PRO 22 3HG PRO 22 6.551 12.833 3.734 205 1HD PRO 22 2HD PRO 22 5.748 12.137 1.243 206 2HD PRO 22 3HD PRO 22 4.750 11.852 2.683 207 H LYS 23 H LYS 23 5.245 14.623 -0.103 208 HA LYS 23 HA LYS 23 6.443 17.249 -0.314 209 1HB LYS 23 2HB LYS 23 6.864 14.736 -1.527 210 2HB LYS 23 3HB LYS 23 6.361 15.825 -2.814 211 1HG LYS 23 2HG LYS 23 8.175 17.266 -2.455 212 2HG LYS 23 3HG LYS 23 8.534 16.557 -0.879 213 1HD LYS 23 2HD LYS 23 10.170 15.618 -2.217 214 2HD LYS 23 3HD LYS 23 8.916 14.376 -2.247 215 1HE LYS 23 2HE LYS 23 9.438 14.546 -4.482 216 2HE LYS 23 3HE LYS 23 8.088 15.673 -4.356 217 1HZ LYS 23 1HZ LYS 23 9.522 17.500 -4.414 218 2HZ LYS 23 2HZ LYS 23 10.131 16.458 -5.600 219 3HZ LYS 23 3HZ LYS 23 10.896 16.566 -4.095 220 H CYS 24 H CYS 24 4.128 15.446 -2.349 221 HA CYS 24 HA CYS 24 3.038 18.000 -3.274 222 1HB CYS 24 2HB CYS 24 1.956 16.688 -5.039 223 2HB CYS 24 3HB CYS 24 3.686 16.373 -4.994 224 H GLY 25 H GLY 25 2.123 15.039 -1.609 225 1HA GLY 25 2HA GLY 25 0.452 15.123 0.123 226 2HA GLY 25 3HA GLY 25 -0.373 16.374 -0.794 227 H GLU 26 H GLU 26 0.892 13.495 -2.310 228 HA GLU 26 HA GLU 26 -1.877 12.622 -2.803 229 1HB GLU 26 2HB GLU 26 -0.852 13.232 -4.868 230 2HB GLU 26 3HB GLU 26 0.619 12.352 -4.474 231 1HG GLU 26 2HG GLU 26 -0.871 11.263 -6.163 232 2HG GLU 26 3HG GLU 26 -0.434 10.261 -4.780 233 H LYS 27 H LYS 27 -2.473 10.550 -2.388 234 HA LYS 27 HA LYS 27 -1.233 9.069 -0.432 235 1HB LYS 27 2HB LYS 27 -2.927 7.907 -2.649 236 2HB LYS 27 3HB LYS 27 -2.689 7.237 -1.040 237 1HG LYS 27 2HG LYS 27 -3.655 9.690 -0.429 238 2HG LYS 27 3HG LYS 27 -4.484 9.370 -1.954 239 1HD LYS 27 2HD LYS 27 -4.427 7.457 0.378 240 2HD LYS 27 3HD LYS 27 -5.728 8.610 0.075 241 1HE LYS 27 2HE LYS 27 -5.829 7.522 -2.267 242 2HE LYS 27 3HE LYS 27 -4.918 6.208 -1.525 243 1HZ LYS 27 1HZ LYS 27 -6.704 5.500 -0.410 244 2HZ LYS 27 2HZ LYS 27 -7.598 6.405 -1.524 245 3HZ LYS 27 3HZ LYS 27 -7.221 7.062 -0.011 246 H THR 28 H THR 28 0.160 7.332 -0.363 247 HA THR 28 HA THR 28 1.879 7.031 -2.705 248 HB THR 28 HB THR 28 3.190 5.573 -0.930 249 HG1 THR 28 1HG THR 28 2.787 6.801 1.163 250 1HG2 THR 28 1HG2 THR 28 3.418 8.137 -1.909 251 2HG2 THR 28 2HG2 THR 28 4.620 7.299 -0.929 252 3HG2 THR 28 3HG2 THR 28 3.452 8.375 -0.163 253 H VAL 29 H VAL 29 2.593 4.915 -3.393 254 HA VAL 29 HA VAL 29 0.724 2.738 -2.743 255 HB VAL 29 HB VAL 29 0.530 2.080 -5.034 256 1HG1 VAL 29 1HG1 VAL 29 0.159 5.069 -4.978 257 2HG1 VAL 29 2HG1 VAL 29 -0.730 3.892 -5.945 258 3HG1 VAL 29 3HG1 VAL 29 -0.932 3.928 -4.193 259 1HG2 VAL 29 1HG2 VAL 29 1.580 3.793 -6.750 260 2HG2 VAL 29 2HG2 VAL 29 2.730 4.042 -5.437 261 3HG2 VAL 29 3HG2 VAL 29 2.511 2.432 -6.123 262 H ILE 30 H ILE 30 1.564 0.650 -2.847 263 HA ILE 30 HA ILE 30 4.300 0.377 -2.218 264 HB ILE 30 HB ILE 30 2.153 -1.621 -2.875 265 1HG1 ILE 30 2HG1 ILE 30 2.625 -2.267 -0.475 266 2HG1 ILE 30 3HG1 ILE 30 3.675 -0.857 -0.379 267 1HG2 ILE 30 1HG2 ILE 30 3.850 -2.932 -3.610 268 2HG2 ILE 30 2HG2 ILE 30 5.077 -2.036 -2.716 269 3HG2 ILE 30 3HG2 ILE 30 4.057 -3.207 -1.880 270 1HD1 ILE 30 1HD1 ILE 30 1.857 0.623 -0.689 271 2HD1 ILE 30 2HD1 ILE 30 0.773 -0.695 -1.131 272 3HD1 ILE 30 3HD1 ILE 30 1.361 -0.554 0.525 273 HA PRO 31 HA PRO 31 5.776 0.461 -6.448 274 1HB PRO 31 2HB PRO 31 8.407 0.383 -5.786 275 2HB PRO 31 3HB PRO 31 7.437 1.858 -5.695 276 1HG PRO 31 2HG PRO 31 8.217 -0.033 -3.509 277 2HG PRO 31 3HG PRO 31 8.201 1.740 -3.503 278 1HD PRO 31 2HD PRO 31 6.230 0.261 -2.380 279 2HD PRO 31 3HD PRO 31 5.930 1.843 -3.126 280 H LYS 32 H LYS 32 5.568 -1.372 -7.572 281 HA LYS 32 HA LYS 32 6.694 -3.858 -6.517 282 1HB LYS 32 2HB LYS 32 4.416 -3.167 -8.172 283 2HB LYS 32 3HB LYS 32 5.400 -4.411 -8.932 284 1HG LYS 32 2HG LYS 32 4.805 -5.973 -7.440 285 2HG LYS 32 3HG LYS 32 4.865 -4.846 -6.082 286 1HD LYS 32 2HD LYS 32 2.593 -5.624 -6.417 287 2HD LYS 32 3HD LYS 32 2.704 -3.904 -6.801 288 1HE LYS 32 2HE LYS 32 2.254 -4.232 -8.989 289 2HE LYS 32 3HE LYS 32 3.160 -5.743 -9.056 290 1HZ LYS 32 1HZ LYS 32 0.409 -5.428 -8.938 291 2HZ LYS 32 2HZ LYS 32 0.868 -6.072 -7.443 292 3HZ LYS 32 3HZ LYS 32 1.283 -6.876 -8.872 293 HA PRO 33 HA PRO 33 10.066 -4.038 -9.319 294 1HB PRO 33 2HB PRO 33 10.146 -6.680 -9.945 295 2HB PRO 33 3HB PRO 33 10.622 -6.052 -8.363 296 1HG PRO 33 2HG PRO 33 8.040 -7.313 -9.202 297 2HG PRO 33 3HG PRO 33 8.980 -7.570 -7.721 298 1HD PRO 33 2HD PRO 33 6.791 -5.978 -7.800 299 2HD PRO 33 3HD PRO 33 8.166 -5.658 -6.723 300 HA PRO 34 HA PRO 34 8.804 -3.888 -13.529 301 1HB PRO 34 2HB PRO 34 10.997 -4.822 -14.829 302 2HB PRO 34 3HB PRO 34 10.945 -3.236 -14.049 303 1HG PRO 34 2HG PRO 34 12.111 -5.805 -13.045 304 2HG PRO 34 3HG PRO 34 12.779 -4.164 -12.962 305 1HD PRO 34 2HD PRO 34 11.550 -5.346 -10.858 306 2HD PRO 34 3HD PRO 34 11.485 -3.595 -11.142 307 H LYS 35 H LYS 35 9.183 -5.368 -15.677 308 HA LYS 35 HA LYS 35 8.986 -8.188 -15.225 309 1HB LYS 35 2HB LYS 35 6.702 -8.536 -15.817 310 2HB LYS 35 3HB LYS 35 6.722 -7.346 -14.523 311 1HG LYS 35 2HG LYS 35 6.349 -5.560 -16.090 312 2HG LYS 35 3HG LYS 35 6.482 -6.678 -17.449 313 1HD LYS 35 2HD LYS 35 4.469 -7.789 -16.836 314 2HD LYS 35 3HD LYS 35 4.405 -6.951 -15.283 315 1HE LYS 35 2HE LYS 35 3.832 -4.908 -16.289 316 2HE LYS 35 3HE LYS 35 4.324 -5.460 -17.889 317 1HZ LYS 35 1HZ LYS 35 1.868 -5.366 -17.473 318 2HZ LYS 35 2HZ LYS 35 2.060 -6.662 -16.404 319 3HZ LYS 35 3HZ LYS 35 2.445 -6.852 -18.040 320 H PHE 36 H PHE 36 8.961 -9.397 -17.165 321 HA PHE 36 HA PHE 36 10.085 -7.977 -19.407 322 1HB PHE 36 2HB PHE 36 9.723 -10.831 -18.641 323 2HB PHE 36 3HB PHE 36 9.899 -10.466 -20.354 324 HD1 PHE 36 1HD PHE 36 11.505 -9.125 -17.263 325 HD2 PHE 36 2HD PHE 36 12.017 -10.962 -21.069 326 HE1 PHE 36 1HE PHE 36 13.947 -9.016 -16.984 327 HE2 PHE 36 2HE PHE 36 14.460 -10.856 -20.794 328 HZ PHE 36 HZ PHE 36 15.428 -9.883 -18.750 329 H SER 37 H SER 37 8.638 -6.809 -20.540 330 HA SER 37 HA SER 37 6.005 -7.865 -21.133 331 1HB SER 37 2HB SER 37 7.371 -5.239 -21.415 332 2HB SER 37 3HB SER 37 6.070 -5.590 -22.555 333 HG SER 37 HG SER 37 5.975 -5.244 -19.784 334 H LEU 38 H LEU 38 9.090 -7.554 -22.674 335 HA LEU 38 HA LEU 38 8.206 -7.812 -25.363 336 1HB LEU 38 2HB LEU 38 10.475 -7.000 -24.448 337 2HB LEU 38 3HB LEU 38 10.890 -8.711 -24.375 338 HG LEU 38 HG LEU 38 10.174 -8.670 -26.902 339 1HD1 LEU 38 1HD1 LEU 38 10.881 -6.490 -27.922 340 2HD1 LEU 38 2HD1 LEU 38 10.802 -5.788 -26.306 341 3HD1 LEU 38 3HD1 LEU 38 9.348 -6.449 -27.053 342 1HD2 LEU 38 1HD2 LEU 38 12.779 -7.508 -25.919 343 2HD2 LEU 38 2HD2 LEU 38 12.495 -8.219 -27.507 344 3HD2 LEU 38 3HD2 LEU 38 12.400 -9.224 -26.061 345 H GLU 39 H GLU 39 8.717 -10.049 -22.783 346 HA GLU 39 HA GLU 39 8.706 -12.343 -24.592 347 1HB GLU 39 2HB GLU 39 9.332 -11.935 -21.703 348 2HB GLU 39 3HB GLU 39 8.784 -13.524 -22.219 349 1HG GLU 39 2HG GLU 39 10.630 -13.278 -24.032 350 2HG GLU 39 3HG GLU 39 11.280 -12.059 -22.937 351 H ASP 40 H ASP 40 6.714 -10.752 -22.179 352 HA ASP 40 HA ASP 40 4.709 -12.794 -22.112 353 1HB ASP 40 2HB ASP 40 5.323 -10.588 -20.552 354 2HB ASP 40 3HB ASP 40 3.809 -10.131 -21.329 355 H ARG 41 H ARG 41 3.371 -13.216 -23.729 356 HA ARG 41 HA ARG 41 2.980 -11.475 -25.932 357 1HB ARG 41 2HB ARG 41 2.829 -13.955 -26.057 358 2HB ARG 41 3HB ARG 41 1.335 -13.881 -25.132 359 1HG ARG 41 2HG ARG 41 0.182 -12.811 -26.883 360 2HG ARG 41 3HG ARG 41 1.678 -12.444 -27.744 361 1HD ARG 41 2HD ARG 41 1.899 -14.575 -28.549 362 2HD ARG 41 3HD ARG 41 1.038 -15.293 -27.188 363 HE ARG 41 HE ARG 41 -0.620 -13.676 -28.895 364 1HH1 ARG 41 2HH1 ARG 41 0.716 -16.845 -28.358 365 2HH1 ARG 41 1HH1 ARG 41 -0.523 -17.663 -29.252 366 1HH2 ARG 41 2HH2 ARG 41 -2.258 -14.739 -30.073 367 2HH2 ARG 41 1HH2 ARG 41 -2.214 -16.463 -30.227 368 H TRP 42 H TRP 42 0.872 -12.441 -23.237 369 HA TRP 42 HA TRP 42 -1.052 -10.380 -24.012 370 1HB TRP 42 2HB TRP 42 -1.150 -12.798 -22.260 371 2HB TRP 42 3HB TRP 42 -2.270 -11.480 -21.935 372 HD1 TRP 42 1HD TRP 42 -1.251 -12.568 -25.485 373 HE1 TRP 42 1HE TRP 42 -3.353 -13.413 -26.706 374 HE3 TRP 42 3HE TRP 42 -4.568 -12.402 -21.599 375 HZ2 TRP 42 2HZ TRP 42 -6.059 -13.939 -26.102 376 HZ3 TRP 42 3HZ TRP 42 -6.896 -13.091 -22.004 377 HH2 TRP 42 2HH TRP 42 -7.624 -13.843 -24.210 378 H GLY 43 H GLY 43 1.660 -9.966 -22.686 379 1HA GLY 43 2HA GLY 43 1.320 -9.144 -20.027 380 2HA GLY 43 3HA GLY 43 2.558 -8.546 -21.123 381 H LYS 44 H LYS 44 0.532 -7.541 -23.028 382 HA LYS 44 HA LYS 44 0.115 -4.977 -21.749 383 1HB LYS 44 2HB LYS 44 -0.553 -5.875 -24.558 384 2HB LYS 44 3HB LYS 44 -0.578 -4.217 -23.970 385 1HG LYS 44 2HG LYS 44 1.890 -5.937 -24.013 386 2HG LYS 44 3HG LYS 44 1.434 -4.829 -25.310 387 1HD LYS 44 2HD LYS 44 1.301 -3.074 -23.388 388 2HD LYS 44 3HD LYS 44 2.319 -4.222 -22.517 389 1HE LYS 44 2HE LYS 44 3.064 -3.422 -25.294 390 2HE LYS 44 3HE LYS 44 3.383 -2.310 -23.964 391 1HZ LYS 44 1HZ LYS 44 4.977 -3.642 -23.111 392 2HZ LYS 44 2HZ LYS 44 5.096 -4.170 -24.714 393 3HZ LYS 44 3HZ LYS 44 4.216 -5.077 -23.589 394 H TYR 45 H TYR 45 -1.748 -7.763 -22.650 395 HA TYR 45 HA TYR 45 -4.309 -6.533 -22.616 396 1HB TYR 45 2HB TYR 45 -3.852 -8.706 -23.714 397 2HB TYR 45 3HB TYR 45 -3.591 -9.432 -22.133 398 HD1 TYR 45 1HD TYR 45 -5.472 -9.803 -20.607 399 HD2 TYR 45 2HD TYR 45 -6.074 -8.200 -24.502 400 HE1 TYR 45 1HE TYR 45 -7.875 -10.297 -20.433 401 HE2 TYR 45 2HE TYR 45 -8.479 -8.688 -24.338 402 HH TYR 45 HH TYR 45 -10.055 -9.801 -23.159 403 H ARG 46 H ARG 46 -2.228 -7.898 -20.166 404 HA ARG 46 HA ARG 46 -4.098 -8.250 -18.111 405 1HB ARG 46 2HB ARG 46 -1.612 -8.955 -18.234 406 2HB ARG 46 3HB ARG 46 -1.277 -7.347 -17.606 407 1HG ARG 46 2HG ARG 46 -1.384 -8.447 -15.638 408 2HG ARG 46 3HG ARG 46 -3.106 -8.107 -15.824 409 1HD ARG 46 2HD ARG 46 -3.503 -10.302 -16.706 410 2HD ARG 46 3HD ARG 46 -1.776 -10.642 -16.760 411 HE ARG 46 HE ARG 46 -1.858 -11.190 -14.544 412 1HH1 ARG 46 2HH1 ARG 46 -4.698 -9.348 -15.356 413 2HH1 ARG 46 1HH1 ARG 46 -5.452 -9.584 -13.814 414 1HH2 ARG 46 2HH2 ARG 46 -2.839 -11.508 -12.510 415 2HH2 ARG 46 1HH2 ARG 46 -4.393 -10.811 -12.195 416 H ARG 47 H ARG 47 -2.351 -5.405 -19.209 417 HA ARG 47 HA ARG 47 -2.941 -3.716 -17.037 418 1HB ARG 47 2HB ARG 47 -1.559 -3.501 -19.455 419 2HB ARG 47 3HB ARG 47 -2.842 -2.303 -19.566 420 1HG ARG 47 2HG ARG 47 -2.034 -1.641 -17.172 421 2HG ARG 47 3HG ARG 47 -0.550 -2.456 -17.671 422 1HD ARG 47 2HD ARG 47 -1.224 -0.861 -19.840 423 2HD ARG 47 3HD ARG 47 -1.591 0.139 -18.435 424 HE ARG 47 HE ARG 47 0.649 0.380 -18.103 425 1HH1 ARG 47 2HH1 ARG 47 0.119 -2.479 -20.017 426 2HH1 ARG 47 1HH1 ARG 47 1.805 -2.786 -20.265 427 1HH2 ARG 47 2HH2 ARG 47 2.874 -0.013 -18.421 428 2HH2 ARG 47 1HH2 ARG 47 3.372 -1.382 -19.356 429 H MET 48 H MET 48 -4.791 -4.684 -19.832 430 HA MET 48 HA MET 48 -6.810 -2.653 -19.455 431 1HB MET 48 2HB MET 48 -6.051 -3.929 -21.651 432 2HB MET 48 3HB MET 48 -7.285 -5.071 -21.137 433 1HG MET 48 2HG MET 48 -8.524 -3.715 -22.477 434 2HG MET 48 3HG MET 48 -8.749 -2.908 -20.927 435 1HE MET 48 1HE MET 48 -8.270 -0.787 -20.362 436 2HE MET 48 2HE MET 48 -6.507 -0.731 -20.365 437 3HE MET 48 3HE MET 48 -7.430 0.463 -21.278 438 H LEU 49 H LEU 49 -6.325 -6.023 -18.632 439 HA LEU 49 HA LEU 49 -8.949 -6.705 -17.935 440 1HB LEU 49 2HB LEU 49 -6.683 -8.078 -18.072 441 2HB LEU 49 3HB LEU 49 -6.691 -7.785 -16.335 442 HG LEU 49 HG LEU 49 -8.997 -9.070 -17.781 443 1HD1 LEU 49 1HD1 LEU 49 -6.992 -10.629 -16.213 444 2HD1 LEU 49 2HD1 LEU 49 -6.683 -10.260 -17.909 445 3HD1 LEU 49 3HD1 LEU 49 -8.121 -11.173 -17.454 446 1HD2 LEU 49 1HD2 LEU 49 -8.250 -8.549 -14.946 447 2HD2 LEU 49 2HD2 LEU 49 -9.157 -10.013 -15.329 448 3HD2 LEU 49 3HD2 LEU 49 -9.820 -8.430 -15.743 449 H LYS 50 H LYS 50 -6.527 -4.852 -16.257 450 HA LYS 50 HA LYS 50 -8.056 -4.860 -13.775 451 1HB LYS 50 2HB LYS 50 -5.493 -3.391 -14.416 452 2HB LYS 50 3HB LYS 50 -6.194 -3.639 -12.822 453 1HG LYS 50 2HG LYS 50 -5.400 -5.954 -14.549 454 2HG LYS 50 3HG LYS 50 -4.228 -5.118 -13.527 455 1HD LYS 50 2HD LYS 50 -5.924 -5.500 -11.631 456 2HD LYS 50 3HD LYS 50 -6.659 -6.681 -12.716 457 1HE LYS 50 2HE LYS 50 -5.209 -8.033 -11.576 458 2HE LYS 50 3HE LYS 50 -4.178 -7.538 -12.918 459 1HZ LYS 50 1HZ LYS 50 -3.684 -5.597 -11.168 460 2HZ LYS 50 2HZ LYS 50 -2.774 -7.020 -11.260 461 3HZ LYS 50 3HZ LYS 50 -3.997 -6.872 -10.100 462 H ARG 51 H ARG 51 -8.037 -2.531 -12.695 463 HA ARG 51 HA ARG 51 -9.154 -0.656 -14.675 464 1HB ARG 51 2HB ARG 51 -10.165 -1.522 -12.002 465 2HB ARG 51 3HB ARG 51 -10.469 0.131 -12.517 466 1HG ARG 51 2HG ARG 51 -12.351 -0.870 -13.305 467 2HG ARG 51 3HG ARG 51 -11.302 -1.071 -14.710 468 1HD ARG 51 2HD ARG 51 -12.166 -3.195 -14.459 469 2HD ARG 51 3HD ARG 51 -10.652 -3.314 -13.563 470 HE ARG 51 HE ARG 51 -12.417 -2.605 -11.654 471 1HH1 ARG 51 2HH1 ARG 51 -12.431 -5.103 -14.079 472 2HH1 ARG 51 1HH1 ARG 51 -13.378 -6.201 -13.130 473 1HH2 ARG 51 2HH2 ARG 51 -13.665 -4.042 -10.395 474 2HH2 ARG 51 1HH2 ARG 51 -14.080 -5.595 -11.035 475 H ALA 52 H ALA 52 -8.801 1.560 -14.337 476 HA ALA 52 HA ALA 52 -6.281 2.232 -13.253 477 1HB ALA 52 1HB ALA 52 -7.269 3.448 -15.123 478 2HB ALA 52 2HB ALA 52 -8.544 4.053 -14.065 479 3HB ALA 52 3HB ALA 52 -6.871 4.539 -13.794 480 H LEU 53 H LEU 53 -9.459 2.128 -11.902 481 HA LEU 53 HA LEU 53 -8.508 3.527 -9.493 482 1HB LEU 53 2HB LEU 53 -10.764 3.998 -10.970 483 2HB LEU 53 3HB LEU 53 -11.372 2.961 -9.682 484 HG LEU 53 HG LEU 53 -9.703 5.291 -8.902 485 1HD1 LEU 53 1HD1 LEU 53 -12.132 6.437 -8.864 486 2HD1 LEU 53 2HD1 LEU 53 -12.271 5.480 -10.338 487 3HD1 LEU 53 3HD1 LEU 53 -10.969 6.658 -10.171 488 1HD2 LEU 53 1HD2 LEU 53 -10.674 4.989 -6.899 489 2HD2 LEU 53 2HD2 LEU 53 -11.067 3.391 -7.533 490 3HD2 LEU 53 3HD2 LEU 53 -12.264 4.685 -7.599 491 H LYS 54 H LYS 54 -8.377 2.461 -7.611 492 HA LYS 54 HA LYS 54 -8.677 -0.382 -7.589 493 1HB LYS 54 2HB LYS 54 -7.739 1.694 -5.673 494 2HB LYS 54 3HB LYS 54 -8.249 0.147 -5.007 495 1HG LYS 54 2HG LYS 54 -6.661 -0.944 -6.628 496 2HG LYS 54 3HG LYS 54 -6.041 0.671 -6.976 497 1HD LYS 54 2HD LYS 54 -5.214 0.946 -4.804 498 2HD LYS 54 3HD LYS 54 -6.209 -0.363 -4.163 499 1HE LYS 54 2HE LYS 54 -3.897 -1.070 -4.313 500 2HE LYS 54 3HE LYS 54 -4.883 -1.978 -5.458 501 1HZ LYS 54 1HZ LYS 54 -2.585 -0.708 -6.063 502 2HZ LYS 54 2HZ LYS 54 -3.737 0.430 -6.549 503 3HZ LYS 54 3HZ LYS 54 -3.775 -1.136 -7.188 504 H ASN 55 H ASN 55 -10.446 -1.507 -7.139 505 HA ASN 55 HA ASN 55 -12.456 -0.354 -5.337 506 1HB ASN 55 2HB ASN 55 -13.181 -1.775 -7.906 507 2HB ASN 55 3HB ASN 55 -14.272 -0.960 -6.788 508 1HD2 ASN 55 1HD2 ASN 55 -12.675 -0.684 -9.648 509 2HD2 ASN 55 2HD2 ASN 55 -12.682 1.035 -9.816 510 H LYS 56 H LYS 56 -13.908 -1.946 -4.404 511 HA LYS 56 HA LYS 56 -12.626 -4.145 -3.323 512 1HB LYS 56 2HB LYS 56 -15.116 -2.942 -3.047 513 2HB LYS 56 3HB LYS 56 -15.495 -4.575 -3.580 514 1HG LYS 56 2HG LYS 56 -15.486 -4.517 -1.187 515 2HG LYS 56 3HG LYS 56 -14.095 -5.455 -1.737 516 1HD LYS 56 2HD LYS 56 -13.049 -4.148 -0.193 517 2HD LYS 56 3HD LYS 56 -12.923 -3.072 -1.587 518 1HE LYS 56 2HE LYS 56 -14.734 -1.749 -0.852 519 2HE LYS 56 3HE LYS 56 -15.234 -2.955 0.334 520 1HZ LYS 56 1HZ LYS 56 -13.560 -0.790 0.742 521 2HZ LYS 56 2HZ LYS 56 -12.568 -2.157 0.826 522 3HZ LYS 56 3HZ LYS 56 -13.919 -2.029 1.836 523 H ASN 57 H ASN 57 -11.875 -5.908 -4.281 524 HA ASN 57 HA ASN 57 -13.470 -7.123 -6.437 525 1HB ASN 57 2HB ASN 57 -11.431 -7.755 -7.592 526 2HB ASN 57 3HB ASN 57 -11.434 -6.013 -7.328 527 1HD2 ASN 57 1HD2 ASN 57 -10.136 -9.066 -6.192 528 2HD2 ASN 57 2HD2 ASN 57 -8.718 -8.405 -5.458 529 H LYS 58 H LYS 58 -13.349 -9.410 -6.617 530 HA LYS 58 HA LYS 58 -13.090 -10.724 -4.067 531 1HB LYS 58 2HB LYS 58 -14.834 -11.143 -5.967 532 2HB LYS 58 3HB LYS 58 -13.579 -12.170 -6.649 533 1HG LYS 58 2HG LYS 58 -14.317 -12.552 -3.795 534 2HG LYS 58 3HG LYS 58 -15.426 -13.129 -5.041 535 1HD LYS 58 2HD LYS 58 -13.329 -14.232 -6.072 536 2HD LYS 58 3HD LYS 58 -12.606 -13.979 -4.481 537 1HE LYS 58 2HE LYS 58 -14.003 -15.480 -3.457 538 2HE LYS 58 3HE LYS 58 -15.294 -15.248 -4.635 539 1HZ LYS 58 1HZ LYS 58 -12.742 -16.646 -5.223 540 2HZ LYS 58 2HZ LYS 58 -14.102 -16.545 -6.224 541 3HZ LYS 58 3HZ LYS 58 -14.176 -17.433 -4.786 542 H ALA 59 H ALA 59 -11.067 -11.103 -3.387 543 HA ALA 59 HA ALA 59 -9.032 -11.997 -5.273 544 1HB ALA 59 1HB ALA 59 -7.762 -11.964 -2.888 545 2HB ALA 59 2HB ALA 59 -7.915 -10.562 -3.948 546 3HB ALA 59 3HB ALA 59 -9.031 -10.773 -2.599 547 H GLU 60 H GLU 60 -7.926 -13.951 -5.104 548 HA GLU 60 HA GLU 60 -9.449 -16.178 -4.292 549 1HB GLU 60 2HB GLU 60 -6.526 -15.939 -5.016 550 2HB GLU 60 3HB GLU 60 -7.347 -17.471 -4.751 551 1HG GLU 60 2HG GLU 60 -8.739 -17.160 -6.635 552 2HG GLU 60 3HG GLU 60 -8.254 -15.474 -6.801
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