NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
536629 | 2ljy | 17968 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 -22.558 -7.754 -4.178 2 HA MET 1 HA MET 1 -24.429 -7.342 -2.836 3 HB2 MET 1 HB2 MET 1 -26.108 -8.934 -2.343 4 HB3 MET 1 HB1 MET 1 -25.850 -9.060 -4.076 5 HG2 MET 1 HG2 MET 1 -24.529 -11.058 -3.773 6 HG3 MET 1 HG1 MET 1 -24.643 -10.901 -2.023 7 HE1 MET 1 HE1 MET 1 -26.821 -14.068 -2.764 8 HE2 MET 1 HE2 MET 1 -25.384 -13.432 -1.965 9 HE3 MET 1 HE3 MET 1 -25.424 -13.582 -3.719 10 H PHE 2 HN PHE 2 -24.653 -7.970 -0.526 11 HA PHE 2 HA PHE 2 -22.638 -9.804 0.474 12 HB2 PHE 2 HB2 PHE 2 -21.956 -7.149 0.212 13 HB3 PHE 2 HB1 PHE 2 -22.507 -7.238 1.881 14 HD1 PHE 2 HD1 PHE 2 -20.645 -9.663 -0.246 15 HD2 PHE 2 HD2 PHE 2 -20.658 -7.240 3.244 16 HE1 PHE 2 HE1 PHE 2 -18.474 -10.608 0.412 17 HE2 PHE 2 HE2 PHE 2 -18.485 -8.179 3.910 18 HZ PHE 2 HZ PHE 2 -17.390 -9.866 2.493 19 H GLN 3 HN GLN 3 -24.178 -11.032 1.406 20 HA GLN 3 HA GLN 3 -25.617 -9.844 3.676 21 HB2 GLN 3 HB2 GLN 3 -27.352 -11.777 2.952 22 HB3 GLN 3 HB1 GLN 3 -27.502 -10.108 2.429 23 HG2 GLN 3 HG2 GLN 3 -27.843 -11.613 0.568 24 HG3 GLN 3 HG1 GLN 3 -26.367 -10.680 0.329 25 HE21 GLN 3 HE21 GLN 3 -27.688 -13.820 1.049 26 HE22 GLN 3 HE22 GLN 3 -26.243 -14.716 0.740 27 H ASP 4 HN ASP 4 -26.757 -12.079 4.733 28 HA ASP 4 HA ASP 4 -24.784 -13.321 6.197 29 HB2 ASP 4 HB2 ASP 4 -27.201 -13.387 6.734 30 HB3 ASP 4 HB1 ASP 4 -27.457 -14.512 5.405 31 HA PRO 5 HA PRO 5 -24.169 -15.360 7.183 32 HB2 PRO 5 HB2 PRO 5 -21.464 -16.341 6.741 33 HB3 PRO 5 HB1 PRO 5 -22.823 -17.140 7.547 34 HG2 PRO 5 HG2 PRO 5 -21.829 -17.978 5.183 35 HG3 PRO 5 HG1 PRO 5 -23.531 -18.171 5.646 36 HD2 PRO 5 HD2 PRO 5 -22.290 -16.119 3.855 37 HD3 PRO 5 HD1 PRO 5 -23.812 -17.014 3.657 38 H GLN 6 HN GLN 6 -22.598 -13.586 4.793 39 HA GLN 6 HA GLN 6 -20.564 -12.374 6.379 40 HB2 GLN 6 HB2 GLN 6 -21.868 -11.585 3.773 41 HB3 GLN 6 HB1 GLN 6 -20.611 -10.617 4.530 42 HG2 GLN 6 HG2 GLN 6 -19.479 -11.912 2.960 43 HG3 GLN 6 HG1 GLN 6 -19.186 -12.731 4.491 44 HE21 GLN 6 HE21 GLN 6 -22.178 -12.872 2.650 45 HE22 GLN 6 HE22 GLN 6 -22.061 -14.546 2.243 46 H GLU 7 HN GLU 7 -20.563 -10.256 7.292 47 HA GLU 7 HA GLU 7 -23.282 -9.336 7.983 48 HB2 GLU 7 HB2 GLU 7 -21.826 -10.340 9.815 49 HB3 GLU 7 HB1 GLU 7 -20.816 -8.910 9.661 50 HG2 GLU 7 HG2 GLU 7 -22.561 -8.901 11.498 51 HG3 GLU 7 HG1 GLU 7 -22.505 -7.492 10.441 52 H ARG 8 HN ARG 8 -20.571 -8.529 6.253 53 HA ARG 8 HA ARG 8 -19.961 -6.650 5.115 54 HB2 ARG 8 HB2 ARG 8 -22.372 -5.300 6.345 55 HB3 ARG 8 HB1 ARG 8 -21.440 -4.728 4.970 56 HG2 ARG 8 HG2 ARG 8 -22.471 -6.113 3.525 57 HG3 ARG 8 HG1 ARG 8 -22.606 -7.421 4.703 58 HD2 ARG 8 HD2 ARG 8 -24.282 -4.914 4.726 59 HD3 ARG 8 HD1 ARG 8 -24.792 -6.447 4.022 60 HE ARG 8 HE ARG 8 -23.975 -6.589 6.797 61 HH11 ARG 8 HH11 ARG 8 -26.625 -6.134 4.561 62 HH12 ARG 8 HH12 ARG 8 -27.842 -6.562 5.718 63 HH21 ARG 8 HH21 ARG 8 -25.587 -7.205 8.324 64 HH22 ARG 8 HH22 ARG 8 -27.259 -7.171 7.844 65 HA PRO 9 HA PRO 9 -17.955 -5.356 9.068 66 HB2 PRO 9 HB2 PRO 9 -15.623 -5.375 7.238 67 HB3 PRO 9 HB1 PRO 9 -15.805 -6.111 8.842 68 HG2 PRO 9 HG2 PRO 9 -15.769 -7.622 6.674 69 HG3 PRO 9 HG1 PRO 9 -16.869 -7.976 8.021 70 HD2 PRO 9 HD2 PRO 9 -17.474 -6.650 5.409 71 HD3 PRO 9 HD1 PRO 9 -18.410 -7.875 6.294 72 H ARG 10 HN ARG 10 -17.057 -3.401 9.656 73 HA ARG 10 HA ARG 10 -17.512 -1.223 7.761 74 HB2 ARG 10 HB2 ARG 10 -17.203 -1.341 10.758 75 HB3 ARG 10 HB1 ARG 10 -17.142 0.183 9.888 76 HG2 ARG 10 HG2 ARG 10 -19.346 -0.042 10.694 77 HG3 ARG 10 HG1 ARG 10 -19.420 -0.382 8.965 78 HD2 ARG 10 HD2 ARG 10 -19.731 -2.665 9.305 79 HD3 ARG 10 HD1 ARG 10 -19.096 -2.605 10.949 80 HE ARG 10 HE ARG 10 -21.232 -1.200 11.356 81 HH11 ARG 10 HH11 ARG 10 -21.009 -3.944 9.167 82 HH12 ARG 10 HH12 ARG 10 -22.663 -4.412 9.406 83 HH21 ARG 10 HH21 ARG 10 -23.406 -1.806 11.626 84 HH22 ARG 10 HH22 ARG 10 -24.028 -3.188 10.774 85 H LYS 11 HN LYS 11 -15.061 -3.175 8.495 86 HA LYS 11 HA LYS 11 -13.024 -1.072 8.217 87 HB2 LYS 11 HB2 LYS 11 -12.972 -3.655 9.748 88 HB3 LYS 11 HB1 LYS 11 -11.478 -2.906 9.199 89 HG2 LYS 11 HG2 LYS 11 -13.529 -1.631 11.000 90 HG3 LYS 11 HG1 LYS 11 -11.977 -2.304 11.505 91 HD2 LYS 11 HD2 LYS 11 -10.861 -0.672 9.978 92 HD3 LYS 11 HD1 LYS 11 -12.440 0.057 9.689 93 HE2 LYS 11 HE2 LYS 11 -11.325 1.340 11.373 94 HE3 LYS 11 HE1 LYS 11 -12.642 0.448 12.132 95 HZ1 LYS 11 HZ1 LYS 11 -11.020 -1.200 12.881 96 HZ2 LYS 11 HZ2 LYS 11 -10.665 0.339 13.478 97 HZ3 LYS 11 HZ3 LYS 11 -9.769 -0.295 12.191 98 H LEU 12 HN LEU 12 -11.517 -1.276 6.661 99 HA LEU 12 HA LEU 12 -12.096 -2.648 4.331 100 HB2 LEU 12 HB2 LEU 12 -10.637 -0.648 4.547 101 HB3 LEU 12 HB1 LEU 12 -9.379 -1.678 5.203 102 HG LEU 12 HG LEU 12 -9.452 -2.969 3.028 103 HD11 LEU 12 HD11 LEU 12 -11.050 -0.567 2.149 104 HD12 LEU 12 HD12 LEU 12 -11.656 -2.219 2.282 105 HD13 LEU 12 HD13 LEU 12 -10.409 -1.828 1.097 106 HD21 LEU 12 HD21 LEU 12 -8.105 -1.302 1.837 107 HD22 LEU 12 HD22 LEU 12 -7.683 -1.379 3.549 108 HD23 LEU 12 HD23 LEU 12 -8.678 -0.053 2.944 109 HA PRO 13 HA PRO 13 -8.572 -5.905 5.404 110 HB2 PRO 13 HB2 PRO 13 -8.423 -6.370 8.150 111 HB3 PRO 13 HB1 PRO 13 -7.250 -5.437 7.204 112 HG2 PRO 13 HG2 PRO 13 -9.505 -4.476 8.881 113 HG3 PRO 13 HG1 PRO 13 -7.877 -3.800 8.675 114 HD2 PRO 13 HD2 PRO 13 -9.976 -2.693 7.460 115 HD3 PRO 13 HD1 PRO 13 -8.398 -2.800 6.652 116 H GLN 14 HN GLN 14 -11.207 -5.582 7.777 117 HA GLN 14 HA GLN 14 -11.780 -8.360 7.871 118 HB2 GLN 14 HB2 GLN 14 -13.120 -5.879 8.851 119 HB3 GLN 14 HB1 GLN 14 -14.049 -7.372 8.802 120 HG2 GLN 14 HG2 GLN 14 -12.622 -8.439 10.329 121 HG3 GLN 14 HG1 GLN 14 -11.372 -7.211 10.140 122 HE21 GLN 14 HE21 GLN 14 -11.510 -5.325 11.269 123 HE22 GLN 14 HE22 GLN 14 -12.671 -5.050 12.521 124 H LEU 15 HN LEU 15 -12.965 -5.699 5.914 125 HA LEU 15 HA LEU 15 -15.205 -6.951 4.789 126 HB2 LEU 15 HB2 LEU 15 -14.764 -4.559 4.552 127 HB3 LEU 15 HB1 LEU 15 -13.341 -4.896 3.588 128 HG LEU 15 HG LEU 15 -14.797 -5.890 1.839 129 HD11 LEU 15 HD11 LEU 15 -16.685 -6.569 3.178 130 HD12 LEU 15 HD12 LEU 15 -17.222 -5.418 1.954 131 HD13 LEU 15 HD13 LEU 15 -17.012 -4.893 3.624 132 HD21 LEU 15 HD21 LEU 15 -15.634 -3.784 0.994 133 HD22 LEU 15 HD22 LEU 15 -14.061 -3.539 1.755 134 HD23 LEU 15 HD23 LEU 15 -15.535 -3.067 2.601 135 H CYS 16 HN CYS 16 -11.798 -7.026 3.961 136 HA CYS 16 HA CYS 16 -12.088 -8.505 1.554 137 HB2 CYS 16 HB2 CYS 16 -9.648 -8.407 3.330 138 HB3 CYS 16 HB1 CYS 16 -9.703 -8.729 1.600 139 HG CYS 16 HG CYS 16 -10.623 -5.722 2.942 140 H THR 17 HN THR 17 -11.738 -9.348 4.940 141 HA THR 17 HA THR 17 -11.089 -12.072 4.605 142 HB THR 17 HB THR 17 -12.695 -11.072 6.941 143 HG1 THR 17 HG1 THR 17 -10.185 -10.217 6.108 144 HG21 THR 17 HG21 THR 17 -10.330 -12.941 6.818 145 HG22 THR 17 HG22 THR 17 -12.009 -13.476 6.736 146 HG23 THR 17 HG23 THR 17 -11.411 -12.667 8.185 147 H GLU 18 HN GLU 18 -14.211 -10.428 5.104 148 HA GLU 18 HA GLU 18 -15.745 -12.816 5.002 149 HB2 GLU 18 HB2 GLU 18 -16.515 -9.925 4.612 150 HB3 GLU 18 HB1 GLU 18 -17.678 -11.242 4.626 151 HG2 GLU 18 HG2 GLU 18 -16.354 -11.717 6.934 152 HG3 GLU 18 HG1 GLU 18 -16.243 -9.960 6.842 153 H LEU 19 HN LEU 19 -14.590 -10.583 2.573 154 HA LEU 19 HA LEU 19 -16.225 -11.681 0.471 155 HB2 LEU 19 HB2 LEU 19 -14.496 -9.421 0.808 156 HB3 LEU 19 HB1 LEU 19 -14.009 -10.306 -0.623 157 HG LEU 19 HG LEU 19 -16.808 -9.300 -0.110 158 HD11 LEU 19 HD11 LEU 19 -14.625 -8.192 -1.864 159 HD12 LEU 19 HD12 LEU 19 -15.275 -7.444 -0.406 160 HD13 LEU 19 HD13 LEU 19 -16.296 -7.631 -1.830 161 HD21 LEU 19 HD21 LEU 19 -16.844 -11.216 -1.553 162 HD22 LEU 19 HD22 LEU 19 -15.510 -10.578 -2.509 163 HD23 LEU 19 HD23 LEU 19 -17.078 -9.773 -2.540 164 H GLN 20 HN GLN 20 -13.663 -12.856 2.123 165 HA GLN 20 HA GLN 20 -12.153 -14.516 1.829 166 HB2 GLN 20 HB2 GLN 20 -13.662 -15.299 -0.661 167 HB3 GLN 20 HB1 GLN 20 -12.736 -16.336 0.414 168 HG2 GLN 20 HG2 GLN 20 -15.303 -14.941 1.139 169 HG3 GLN 20 HG1 GLN 20 -15.163 -16.627 0.646 170 HE21 GLN 20 HE21 GLN 20 -16.052 -15.289 3.163 171 HE22 GLN 20 HE22 GLN 20 -15.125 -16.047 4.412 172 H THR 21 HN THR 21 -11.311 -12.086 0.888 173 HA THR 21 HA THR 21 -9.489 -12.928 -1.222 174 HB THR 21 HB THR 21 -11.427 -11.821 -2.361 175 HG1 THR 21 HG1 THR 21 -10.075 -10.613 -3.708 176 HG21 THR 21 HG21 THR 21 -11.905 -10.165 -0.569 177 HG22 THR 21 HG22 THR 21 -11.748 -9.433 -2.164 178 HG23 THR 21 HG23 THR 21 -10.424 -9.312 -1.005 179 H THR 22 HN THR 22 -8.089 -10.698 -1.687 180 HA THR 22 HA THR 22 -7.099 -9.926 0.981 181 HB THR 22 HB THR 22 -4.933 -9.456 -0.292 182 HG1 THR 22 HG1 THR 22 -5.741 -11.303 -2.223 183 HG21 THR 22 HG21 THR 22 -4.240 -11.816 -0.278 184 HG22 THR 22 HG22 THR 22 -5.930 -12.308 -0.163 185 HG23 THR 22 HG23 THR 22 -5.180 -11.408 1.156 186 H ILE 23 HN ILE 23 -5.964 -7.770 0.981 187 HA ILE 23 HA ILE 23 -7.732 -5.751 0.017 188 HB ILE 23 HB ILE 23 -4.943 -5.274 1.076 189 HG12 ILE 23 HG12 ILE 23 -7.467 -5.624 2.715 190 HG13 ILE 23 HG11 ILE 23 -6.195 -6.833 2.574 191 HG21 ILE 23 HG21 ILE 23 -5.902 -3.182 1.897 192 HG22 ILE 23 HG22 ILE 23 -7.468 -3.630 1.223 193 HG23 ILE 23 HG23 ILE 23 -6.100 -3.333 0.151 194 HD11 ILE 23 HD11 ILE 23 -5.881 -4.077 3.740 195 HD12 ILE 23 HD12 ILE 23 -4.612 -5.296 3.613 196 HD13 ILE 23 HD13 ILE 23 -6.010 -5.581 4.650 197 H HIS 24 HN HIS 24 -5.166 -7.429 -1.362 198 HA HIS 24 HA HIS 24 -4.320 -5.311 -3.152 199 HB2 HIS 24 HB2 HIS 24 -3.538 -8.232 -3.165 200 HB3 HIS 24 HB1 HIS 24 -2.735 -6.929 -4.031 201 HD1 HIS 24 HD1 HIS 24 -1.621 -5.032 -2.352 202 HD2 HIS 24 HD2 HIS 24 -2.496 -8.768 -0.747 203 HE1 HIS 24 HE1 HIS 24 -0.291 -5.218 -0.208 204 H ASP 25 HN ASP 25 -6.760 -7.642 -3.059 205 HA ASP 25 HA ASP 25 -6.985 -7.662 -5.992 206 HB2 ASP 25 HB2 ASP 25 -6.853 -9.895 -5.153 207 HB3 ASP 25 HB1 ASP 25 -8.058 -9.566 -3.912 208 H ILE 26 HN ILE 26 -8.784 -7.068 -3.012 209 HA ILE 26 HA ILE 26 -11.265 -6.563 -4.267 210 HB ILE 26 HB ILE 26 -11.088 -7.102 -1.880 211 HG12 ILE 26 HG12 ILE 26 -12.337 -4.392 -2.373 212 HG13 ILE 26 HG11 ILE 26 -13.084 -5.940 -2.755 213 HG21 ILE 26 HG21 ILE 26 -9.037 -5.762 -1.458 214 HG22 ILE 26 HG22 ILE 26 -10.304 -5.551 -0.249 215 HG23 ILE 26 HG23 ILE 26 -10.040 -4.311 -1.476 216 HD11 ILE 26 HD11 ILE 26 -13.981 -5.048 -0.702 217 HD12 ILE 26 HD12 ILE 26 -12.360 -4.940 -0.010 218 HD13 ILE 26 HD13 ILE 26 -13.062 -6.519 -0.373 219 H ILE 27 HN ILE 27 -11.966 -4.876 -5.377 220 HA ILE 27 HA ILE 27 -10.418 -2.372 -5.247 221 HB ILE 27 HB ILE 27 -12.109 -3.395 -7.539 222 HG12 ILE 27 HG12 ILE 27 -10.046 -4.701 -7.288 223 HG13 ILE 27 HG11 ILE 27 -9.977 -3.694 -8.731 224 HG21 ILE 27 HG21 ILE 27 -11.190 -1.518 -8.802 225 HG22 ILE 27 HG22 ILE 27 -10.323 -0.973 -7.368 226 HG23 ILE 27 HG23 ILE 27 -12.084 -0.960 -7.389 227 HD11 ILE 27 HD11 ILE 27 -8.592 -2.073 -7.501 228 HD12 ILE 27 HD12 ILE 27 -7.851 -3.671 -7.597 229 HD13 ILE 27 HD13 ILE 27 -8.621 -3.145 -6.100 230 H LEU 28 HN LEU 28 -11.454 -0.702 -4.350 231 HA LEU 28 HA LEU 28 -14.371 -0.867 -4.062 232 HB2 LEU 28 HB2 LEU 28 -12.268 0.655 -2.532 233 HB3 LEU 28 HB1 LEU 28 -13.978 1.002 -2.368 234 HG LEU 28 HG LEU 28 -14.162 -1.550 -1.806 235 HD11 LEU 28 HD11 LEU 28 -11.272 -0.976 -1.168 236 HD12 LEU 28 HD12 LEU 28 -11.876 -2.145 -2.342 237 HD13 LEU 28 HD13 LEU 28 -12.178 -2.388 -0.621 238 HD21 LEU 28 HD21 LEU 28 -12.969 0.419 0.142 239 HD22 LEU 28 HD22 LEU 28 -13.888 -1.029 0.552 240 HD23 LEU 28 HD23 LEU 28 -14.677 0.310 -0.284 241 H GLU 29 HN GLU 29 -15.596 1.144 -4.267 242 HA GLU 29 HA GLU 29 -14.449 2.876 -6.350 243 HB2 GLU 29 HB2 GLU 29 -17.404 2.608 -5.939 244 HB3 GLU 29 HB1 GLU 29 -16.515 3.014 -7.400 245 HG2 GLU 29 HG2 GLU 29 -15.633 0.542 -7.121 246 HG3 GLU 29 HG1 GLU 29 -17.149 0.362 -6.238 247 H CYS 30 HN CYS 30 -15.096 5.113 -6.310 248 HA CYS 30 HA CYS 30 -15.058 6.203 -3.682 249 HB2 CYS 30 HB2 CYS 30 -13.945 7.339 -5.547 250 HB3 CYS 30 HB1 CYS 30 -15.497 7.571 -6.346 251 H VAL 31 HN VAL 31 -16.615 7.312 -2.596 252 HA VAL 31 HA VAL 31 -19.337 6.547 -3.166 253 HB VAL 31 HB VAL 31 -18.731 6.406 -0.887 254 HG11 VAL 31 HG11 VAL 31 -17.893 8.369 0.402 255 HG12 VAL 31 HG12 VAL 31 -17.691 9.220 -1.131 256 HG13 VAL 31 HG13 VAL 31 -16.770 7.750 -0.810 257 HG21 VAL 31 HG21 VAL 31 -20.295 7.825 0.245 258 HG22 VAL 31 HG22 VAL 31 -20.974 7.384 -1.320 259 HG23 VAL 31 HG23 VAL 31 -20.278 8.986 -1.083 260 H TYR 32 HN TYR 32 -17.324 9.324 -3.662 261 HA TYR 32 HA TYR 32 -19.650 11.054 -4.029 262 HB2 TYR 32 HB2 TYR 32 -16.702 11.714 -4.025 263 HB3 TYR 32 HB1 TYR 32 -18.000 12.890 -4.224 264 HD1 TYR 32 HD2 TYR 32 -19.785 12.953 -2.334 265 HD2 TYR 32 HD1 TYR 32 -15.920 11.236 -1.875 266 HE1 TYR 32 HE2 TYR 32 -19.994 13.147 0.105 267 HE2 TYR 32 HE1 TYR 32 -16.122 11.424 0.568 268 HH TYR 32 HH TYR 32 -17.346 12.666 2.226 269 H CYS 33 HN CYS 33 -16.653 10.394 -5.933 270 HA CYS 33 HA CYS 33 -18.099 11.271 -8.308 271 HB2 CYS 33 HB2 CYS 33 -15.736 10.693 -9.340 272 HB3 CYS 33 HB1 CYS 33 -15.997 12.177 -8.434 273 H LYS 34 HN LYS 34 -17.538 8.400 -6.696 274 HA LYS 34 HA LYS 34 -17.938 6.219 -7.147 275 HB2 LYS 34 HB2 LYS 34 -19.400 7.409 -9.506 276 HB3 LYS 34 HB1 LYS 34 -19.417 5.692 -9.131 277 HG2 LYS 34 HG2 LYS 34 -21.304 6.247 -8.033 278 HG3 LYS 34 HG1 LYS 34 -20.172 6.681 -6.748 279 HD2 LYS 34 HD2 LYS 34 -20.132 9.005 -7.800 280 HD3 LYS 34 HD1 LYS 34 -21.542 8.487 -8.728 281 HE2 LYS 34 HE2 LYS 34 -22.785 8.099 -6.700 282 HE3 LYS 34 HE1 LYS 34 -21.360 8.430 -5.715 283 HZ1 LYS 34 HZ1 LYS 34 -22.779 10.343 -5.746 284 HZ2 LYS 34 HZ2 LYS 34 -22.807 10.369 -7.436 285 HZ3 LYS 34 HZ3 LYS 34 -21.367 10.703 -6.611 286 H GLN 35 HN GLN 35 -15.482 7.402 -8.066 287 HA GLN 35 HA GLN 35 -14.874 6.027 -10.558 288 HB2 GLN 35 HB2 GLN 35 -13.234 7.794 -8.737 289 HB3 GLN 35 HB1 GLN 35 -12.567 6.997 -10.156 290 HG2 GLN 35 HG2 GLN 35 -14.834 8.975 -10.161 291 HG3 GLN 35 HG1 GLN 35 -13.162 9.330 -10.589 292 HE21 GLN 35 HE21 GLN 35 -16.137 7.919 -11.590 293 HE22 GLN 35 HE22 GLN 35 -15.683 7.591 -13.225 294 H GLN 36 HN GLN 36 -13.195 4.419 -10.696 295 HA GLN 36 HA GLN 36 -13.276 2.586 -8.483 296 HB2 GLN 36 HB2 GLN 36 -11.562 2.362 -10.957 297 HB3 GLN 36 HB1 GLN 36 -12.067 1.064 -9.887 298 HG2 GLN 36 HG2 GLN 36 -14.429 1.541 -10.588 299 HG3 GLN 36 HG1 GLN 36 -13.769 2.628 -11.810 300 HE21 GLN 36 HE21 GLN 36 -12.806 -0.577 -10.631 301 HE22 GLN 36 HE22 GLN 36 -12.806 -1.338 -12.183 302 H LEU 37 HN LEU 37 -11.874 2.462 -6.858 303 HA LEU 37 HA LEU 37 -9.589 4.231 -6.820 304 HB2 LEU 37 HB2 LEU 37 -11.070 2.589 -4.861 305 HB3 LEU 37 HB1 LEU 37 -9.358 2.782 -4.545 306 HG LEU 37 HG LEU 37 -9.945 5.346 -4.930 307 HD11 LEU 37 HD11 LEU 37 -12.278 4.966 -5.487 308 HD12 LEU 37 HD12 LEU 37 -12.141 5.876 -3.984 309 HD13 LEU 37 HD13 LEU 37 -12.534 4.157 -3.942 310 HD21 LEU 37 HD21 LEU 37 -8.928 4.427 -2.932 311 HD22 LEU 37 HD22 LEU 37 -10.488 3.807 -2.395 312 HD23 LEU 37 HD23 LEU 37 -10.218 5.547 -2.498 313 H LEU 38 HN LEU 38 -7.654 3.676 -7.533 314 HA LEU 38 HA LEU 38 -6.945 1.106 -8.415 315 HB2 LEU 38 HB2 LEU 38 -5.769 3.694 -8.365 316 HB3 LEU 38 HB1 LEU 38 -4.610 2.588 -7.652 317 HG LEU 38 HG LEU 38 -5.844 2.313 -10.398 318 HD11 LEU 38 HD11 LEU 38 -3.056 3.067 -9.541 319 HD12 LEU 38 HD12 LEU 38 -4.249 4.145 -10.261 320 HD13 LEU 38 HD13 LEU 38 -3.589 2.807 -11.201 321 HD21 LEU 38 HD21 LEU 38 -4.176 0.506 -10.683 322 HD22 LEU 38 HD22 LEU 38 -5.394 0.131 -9.464 323 HD23 LEU 38 HD23 LEU 38 -3.778 0.639 -8.969 324 H ARG 39 HN ARG 39 -6.009 -0.603 -7.398 325 HA ARG 39 HA ARG 39 -6.277 -1.041 -4.712 326 HB2 ARG 39 HB2 ARG 39 -4.837 -2.965 -4.956 327 HB3 ARG 39 HB1 ARG 39 -5.854 -2.810 -6.380 328 HG2 ARG 39 HG2 ARG 39 -4.028 -1.941 -7.662 329 HG3 ARG 39 HG1 ARG 39 -3.003 -1.867 -6.228 330 HD2 ARG 39 HD2 ARG 39 -3.325 -4.367 -6.032 331 HD3 ARG 39 HD1 ARG 39 -4.039 -4.310 -7.643 332 HE ARG 39 HE ARG 39 -1.343 -3.233 -7.223 333 HH11 ARG 39 HH11 ARG 39 -3.428 -5.671 -8.629 334 HH12 ARG 39 HH12 ARG 39 -2.224 -6.246 -9.731 335 HH21 ARG 39 HH21 ARG 39 0.266 -4.007 -8.642 336 HH22 ARG 39 HH22 ARG 39 -0.122 -5.300 -9.743 337 H ARG 40 HN ARG 40 -3.456 0.312 -6.349 338 HA ARG 40 HA ARG 40 -1.637 0.259 -4.234 339 HB2 ARG 40 HB2 ARG 40 -1.149 0.840 -6.631 340 HB3 ARG 40 HB1 ARG 40 -1.863 2.416 -6.337 341 HG2 ARG 40 HG2 ARG 40 -0.144 2.689 -4.491 342 HG3 ARG 40 HG1 ARG 40 0.653 1.268 -5.171 343 HD2 ARG 40 HD2 ARG 40 1.712 3.149 -6.151 344 HD3 ARG 40 HD1 ARG 40 0.646 2.485 -7.390 345 HE ARG 40 HE ARG 40 -0.736 4.472 -5.932 346 HH11 ARG 40 HH11 ARG 40 1.869 4.171 -8.272 347 HH12 ARG 40 HH12 ARG 40 1.610 5.750 -8.940 348 HH21 ARG 40 HH21 ARG 40 -1.078 6.538 -6.810 349 HH22 ARG 40 HH22 ARG 40 -0.068 7.095 -8.114 350 H GLU 41 HN GLU 41 -4.132 2.609 -5.053 351 HA GLU 41 HA GLU 41 -3.341 4.392 -2.920 352 HB2 GLU 41 HB2 GLU 41 -5.860 4.607 -4.557 353 HB3 GLU 41 HB1 GLU 41 -4.977 5.892 -3.743 354 HG2 GLU 41 HG2 GLU 41 -4.052 4.349 -6.158 355 HG3 GLU 41 HG1 GLU 41 -4.659 6.002 -6.146 356 H VAL 42 HN VAL 42 -5.520 1.767 -3.385 357 HA VAL 42 HA VAL 42 -7.423 2.329 -1.396 358 HB VAL 42 HB VAL 42 -6.421 -0.341 -2.403 359 HG11 VAL 42 HG11 VAL 42 -8.441 -1.318 -1.434 360 HG12 VAL 42 HG12 VAL 42 -8.857 0.242 -0.723 361 HG13 VAL 42 HG13 VAL 42 -7.411 -0.614 -0.186 362 HG21 VAL 42 HG21 VAL 42 -8.483 -0.352 -3.702 363 HG22 VAL 42 HG22 VAL 42 -7.492 1.053 -4.095 364 HG23 VAL 42 HG23 VAL 42 -8.905 1.230 -3.056 365 H TYR 43 HN TYR 43 -4.193 0.989 -1.254 366 HA TYR 43 HA TYR 43 -4.265 0.002 1.389 367 HB2 TYR 43 HB2 TYR 43 -1.832 1.112 -0.013 368 HB3 TYR 43 HB1 TYR 43 -1.870 -0.085 1.277 369 HD1 TYR 43 HD1 TYR 43 -4.056 -1.858 0.254 370 HD2 TYR 43 HD2 TYR 43 -0.767 -0.043 -1.745 371 HE1 TYR 43 HE1 TYR 43 -4.102 -3.643 -1.435 372 HE2 TYR 43 HE2 TYR 43 -0.807 -1.824 -3.437 373 HH TYR 43 HH TYR 43 -3.375 -3.922 -3.838 374 H ASP 44 HN ASP 44 -4.040 3.205 0.114 375 HA ASP 44 HA ASP 44 -2.759 4.445 2.323 376 HB2 ASP 44 HB2 ASP 44 -3.374 5.310 -0.145 377 HB3 ASP 44 HB1 ASP 44 -4.723 6.016 0.738 378 H PHE 45 HN PHE 45 -5.949 3.325 1.729 379 HA PHE 45 HA PHE 45 -7.405 4.892 3.568 380 HB2 PHE 45 HB2 PHE 45 -7.984 2.868 1.773 381 HB3 PHE 45 HB1 PHE 45 -8.289 2.110 3.330 382 HD1 PHE 45 HD1 PHE 45 -8.972 5.359 1.638 383 HD2 PHE 45 HD2 PHE 45 -10.433 2.220 4.105 384 HE1 PHE 45 HE1 PHE 45 -11.168 6.456 1.725 385 HE2 PHE 45 HE2 PHE 45 -12.633 3.312 4.198 386 HZ PHE 45 HZ PHE 45 -13.003 5.434 3.007 387 H ALA 46 HN ALA 46 -5.590 1.890 3.873 388 HA ALA 46 HA ALA 46 -6.214 1.626 6.693 389 HB1 ALA 46 HB1 ALA 46 -6.044 -0.388 5.324 390 HB2 ALA 46 HB2 ALA 46 -4.824 -0.389 6.596 391 HB3 ALA 46 HB3 ALA 46 -4.366 0.002 4.939 392 H PHE 47 HN PHE 47 -3.675 2.811 4.646 393 HA PHE 47 HA PHE 47 -1.589 2.908 6.555 394 HB2 PHE 47 HB2 PHE 47 -1.666 3.258 3.902 395 HB3 PHE 47 HB1 PHE 47 -1.713 4.948 4.388 396 HD1 PHE 47 HD1 PHE 47 0.236 1.827 4.664 397 HD2 PHE 47 HD2 PHE 47 0.230 6.055 5.099 398 HE1 PHE 47 HE1 PHE 47 2.681 1.796 4.946 399 HE2 PHE 47 HE2 PHE 47 2.672 6.033 5.385 400 HZ PHE 47 HZ PHE 47 3.899 3.904 5.307 401 H ARG 48 HN ARG 48 -4.028 5.247 5.517 402 HA ARG 48 HA ARG 48 -3.207 7.057 7.684 403 HB2 ARG 48 HB2 ARG 48 -4.874 7.488 5.199 404 HB3 ARG 48 HB1 ARG 48 -4.746 8.685 6.480 405 HG2 ARG 48 HG2 ARG 48 -2.442 9.008 6.083 406 HG3 ARG 48 HG1 ARG 48 -2.346 7.579 5.054 407 HD2 ARG 48 HD2 ARG 48 -3.205 8.659 3.252 408 HD3 ARG 48 HD1 ARG 48 -4.256 9.681 4.231 409 HE ARG 48 HE ARG 48 -1.971 10.772 4.856 410 HH11 ARG 48 HH11 ARG 48 -2.872 9.540 1.692 411 HH12 ARG 48 HH12 ARG 48 -1.962 10.754 0.838 412 HH21 ARG 48 HH21 ARG 48 -0.759 12.319 3.734 413 HH22 ARG 48 HH22 ARG 48 -0.747 12.327 1.999 414 H ASP 49 HN ASP 49 -5.466 8.405 8.285 415 HA ASP 49 HA ASP 49 -7.110 6.320 9.519 416 HB2 ASP 49 HB2 ASP 49 -6.134 8.142 10.942 417 HB3 ASP 49 HB1 ASP 49 -7.153 9.293 10.082 418 H LEU 50 HN LEU 50 -8.506 5.684 7.958 419 HA LEU 50 HA LEU 50 -10.557 7.626 7.223 420 HB2 LEU 50 HB2 LEU 50 -8.998 5.908 5.303 421 HB3 LEU 50 HB1 LEU 50 -10.584 6.541 4.906 422 HG LEU 50 HG LEU 50 -8.973 8.705 5.831 423 HD11 LEU 50 HD11 LEU 50 -7.187 8.712 4.214 424 HD12 LEU 50 HD12 LEU 50 -7.705 7.149 3.583 425 HD13 LEU 50 HD13 LEU 50 -7.062 7.270 5.221 426 HD21 LEU 50 HD21 LEU 50 -9.452 9.595 3.605 427 HD22 LEU 50 HD22 LEU 50 -10.894 8.889 4.339 428 HD23 LEU 50 HD23 LEU 50 -10.016 8.004 3.089 429 H CYS 51 HN CYS 51 -12.596 6.780 7.068 430 HA CYS 51 HA CYS 51 -12.859 3.950 7.836 431 HB2 CYS 51 HB2 CYS 51 -15.132 4.631 8.649 432 HB3 CYS 51 HB1 CYS 51 -13.805 5.405 9.507 433 HG CYS 51 HG CYS 51 -14.839 7.229 6.925 434 H ILE 52 HN ILE 52 -14.659 2.759 6.892 435 HA ILE 52 HA ILE 52 -14.869 3.323 4.077 436 HB ILE 52 HB ILE 52 -16.043 1.094 5.745 437 HG12 ILE 52 HG12 ILE 52 -13.733 1.233 3.802 438 HG13 ILE 52 HG11 ILE 52 -13.633 0.962 5.538 439 HG21 ILE 52 HG21 ILE 52 -16.098 1.457 2.746 440 HG22 ILE 52 HG22 ILE 52 -17.489 1.541 3.827 441 HG23 ILE 52 HG23 ILE 52 -16.630 0.017 3.613 442 HD11 ILE 52 HD11 ILE 52 -13.302 -1.097 4.324 443 HD12 ILE 52 HD12 ILE 52 -14.856 -0.898 3.517 444 HD13 ILE 52 HD13 ILE 52 -14.795 -1.172 5.258 445 H VAL 53 HN VAL 53 -16.396 4.463 3.157 446 HA VAL 53 HA VAL 53 -18.725 5.280 4.699 447 HB VAL 53 HB VAL 53 -17.898 6.172 1.928 448 HG11 VAL 53 HG11 VAL 53 -19.334 8.106 2.402 449 HG12 VAL 53 HG12 VAL 53 -19.781 7.384 3.949 450 HG13 VAL 53 HG13 VAL 53 -20.234 6.590 2.442 451 HG21 VAL 53 HG21 VAL 53 -17.287 7.451 4.594 452 HG22 VAL 53 HG22 VAL 53 -16.948 8.157 3.013 453 HG23 VAL 53 HG23 VAL 53 -16.122 6.682 3.514 454 H TYR 54 HN TYR 54 -20.589 4.227 4.508 455 HA TYR 54 HA TYR 54 -20.947 2.411 2.247 456 HB2 TYR 54 HB2 TYR 54 -22.075 2.610 4.992 457 HB3 TYR 54 HB1 TYR 54 -23.122 1.939 3.745 458 HD1 TYR 54 HD2 TYR 54 -19.662 1.560 5.112 459 HD2 TYR 54 HD1 TYR 54 -23.002 -0.330 3.274 460 HE1 TYR 54 HE2 TYR 54 -18.546 -0.620 5.342 461 HE2 TYR 54 HE1 TYR 54 -21.894 -2.514 3.498 462 HH TYR 54 HH TYR 54 -18.903 -2.897 5.286 463 H ARG 55 HN ARG 55 -21.816 3.293 0.517 464 HA ARG 55 HA ARG 55 -23.756 5.464 0.765 465 HB2 ARG 55 HB2 ARG 55 -21.749 5.403 -0.877 466 HB3 ARG 55 HB1 ARG 55 -22.734 4.295 -1.817 467 HG2 ARG 55 HG2 ARG 55 -23.814 6.962 -1.001 468 HG3 ARG 55 HG1 ARG 55 -22.734 6.818 -2.385 469 HD2 ARG 55 HD2 ARG 55 -25.445 5.577 -2.001 470 HD3 ARG 55 HD1 ARG 55 -24.934 6.718 -3.242 471 HE ARG 55 HE ARG 55 -23.374 4.423 -3.525 472 HH11 ARG 55 HH11 ARG 55 -26.709 5.407 -3.848 473 HH12 ARG 55 HH12 ARG 55 -27.110 4.154 -4.977 474 HH21 ARG 55 HH21 ARG 55 -23.875 2.777 -5.057 475 HH22 ARG 55 HH22 ARG 55 -25.498 2.669 -5.676 476 H ASP 56 HN ASP 56 -25.796 4.921 0.974 477 HA ASP 56 HA ASP 56 -27.833 3.996 0.606 478 HB2 ASP 56 HB2 ASP 56 -27.344 4.133 -1.787 479 HB3 ASP 56 HB1 ASP 56 -26.490 2.595 -1.715 480 H GLY 57 HN GLY 57 -25.619 1.357 -0.302 481 HA2 GLY 57 HA2 GLY 57 -25.987 -0.034 2.168 482 HA3 GLY 57 HA1 GLY 57 -26.973 -0.726 0.889 483 H ASN 58 HN ASN 58 -23.944 0.742 0.080 484 HA ASN 58 HA ASN 58 -22.667 -1.900 -0.095 485 HB2 ASN 58 HB2 ASN 58 -23.502 -0.246 -2.299 486 HB3 ASN 58 HB1 ASN 58 -21.746 -0.393 -2.303 487 HD21 ASN 58 HD21 ASN 58 -24.760 -2.184 -2.352 488 HD22 ASN 58 HD22 ASN 58 -24.114 -3.621 -3.064 489 HA PRO 59 HA PRO 59 -19.260 0.258 1.712 490 HB2 PRO 59 HB2 PRO 59 -17.228 -1.428 1.090 491 HB3 PRO 59 HB1 PRO 59 -18.469 -1.838 2.290 492 HG2 PRO 59 HG2 PRO 59 -18.217 -2.727 -0.537 493 HG3 PRO 59 HG1 PRO 59 -18.719 -3.642 0.898 494 HD2 PRO 59 HD2 PRO 59 -20.474 -2.617 -0.934 495 HD3 PRO 59 HD1 PRO 59 -20.881 -2.921 0.766 496 H TYR 60 HN TYR 60 -18.488 2.095 0.914 497 HA TYR 60 HA TYR 60 -17.064 2.026 -1.667 498 HB2 TYR 60 HB2 TYR 60 -18.816 4.181 -0.489 499 HB3 TYR 60 HB1 TYR 60 -17.681 4.497 -1.796 500 HD1 TYR 60 HD2 TYR 60 -20.701 2.579 -0.871 501 HD2 TYR 60 HD1 TYR 60 -18.220 3.948 -4.037 502 HE1 TYR 60 HE2 TYR 60 -22.415 1.907 -2.495 503 HE2 TYR 60 HE1 TYR 60 -19.931 3.280 -5.674 504 HH TYR 60 HH TYR 60 -21.846 1.639 -5.772 505 H ALA 61 HN ALA 61 -15.418 3.788 -1.848 506 HA ALA 61 HA ALA 61 -14.210 4.365 0.774 507 HB1 ALA 61 HB1 ALA 61 -12.989 2.522 -0.238 508 HB2 ALA 61 HB2 ALA 61 -11.992 3.977 -0.207 509 HB3 ALA 61 HB3 ALA 61 -12.755 3.463 -1.711 510 H VAL 62 HN VAL 62 -12.458 6.091 0.516 511 HA VAL 62 HA VAL 62 -13.549 8.241 -1.156 512 HB VAL 62 HB VAL 62 -11.583 8.517 1.125 513 HG11 VAL 62 HG11 VAL 62 -12.327 10.850 1.136 514 HG12 VAL 62 HG12 VAL 62 -13.375 10.518 -0.242 515 HG13 VAL 62 HG13 VAL 62 -11.625 10.395 -0.416 516 HG21 VAL 62 HG21 VAL 62 -13.633 7.512 1.977 517 HG22 VAL 62 HG22 VAL 62 -14.587 8.780 1.208 518 HG23 VAL 62 HG23 VAL 62 -13.483 9.182 2.524 519 H CYS 63 HN CYS 63 -12.469 8.685 -2.980 520 HA CYS 63 HA CYS 63 -9.945 7.492 -3.539 521 HB2 CYS 63 HB2 CYS 63 -10.115 8.754 -5.683 522 HB3 CYS 63 HB1 CYS 63 -11.542 7.784 -5.326 523 H ASP 64 HN ASP 64 -8.195 8.881 -4.555 524 HA ASP 64 HA ASP 64 -7.066 10.546 -2.590 525 HB2 ASP 64 HB2 ASP 64 -5.685 9.303 -4.160 526 HB3 ASP 64 HB1 ASP 64 -6.369 10.191 -5.516 527 H LYS 65 HN LYS 65 -9.231 11.161 -5.171 528 HA LYS 65 HA LYS 65 -8.682 13.960 -5.484 529 HB2 LYS 65 HB2 LYS 65 -11.275 12.651 -6.250 530 HB3 LYS 65 HB1 LYS 65 -10.423 13.961 -7.051 531 HG2 LYS 65 HG2 LYS 65 -9.002 12.548 -8.161 532 HG3 LYS 65 HG1 LYS 65 -9.140 11.277 -6.947 533 HD2 LYS 65 HD2 LYS 65 -10.262 10.608 -8.992 534 HD3 LYS 65 HD1 LYS 65 -11.442 10.831 -7.699 535 HE2 LYS 65 HE2 LYS 65 -11.321 13.325 -8.828 536 HE3 LYS 65 HE1 LYS 65 -11.118 12.270 -10.223 537 HZ1 LYS 65 HZ1 LYS 65 -13.478 12.966 -9.347 538 HZ2 LYS 65 HZ2 LYS 65 -13.263 11.628 -8.333 539 HZ3 LYS 65 HZ3 LYS 65 -13.203 11.440 -10.016 540 H CYS 66 HN CYS 66 -11.438 12.141 -4.166 541 HA CYS 66 HA CYS 66 -12.637 14.429 -2.974 542 HB2 CYS 66 HB2 CYS 66 -13.232 11.515 -2.471 543 HB3 CYS 66 HB1 CYS 66 -14.296 12.882 -2.152 544 H LEU 67 HN LEU 67 -10.156 12.358 -1.965 545 HA LEU 67 HA LEU 67 -10.418 12.051 0.738 546 HB2 LEU 67 HB2 LEU 67 -8.426 11.693 -1.107 547 HB3 LEU 67 HB1 LEU 67 -7.743 12.931 -0.070 548 HG LEU 67 HG LEU 67 -8.843 10.345 1.015 549 HD11 LEU 67 HD11 LEU 67 -7.085 9.760 -0.528 550 HD12 LEU 67 HD12 LEU 67 -6.501 9.580 1.125 551 HD13 LEU 67 HD13 LEU 67 -6.021 10.981 0.170 552 HD21 LEU 67 HD21 LEU 67 -8.605 12.181 2.611 553 HD22 LEU 67 HD22 LEU 67 -6.917 12.371 2.143 554 HD23 LEU 67 HD23 LEU 67 -7.449 10.891 2.938 555 H LYS 68 HN LYS 68 -9.189 14.971 -0.908 556 HA LYS 68 HA LYS 68 -8.722 16.282 1.611 557 HB2 LYS 68 HB2 LYS 68 -8.480 18.333 -0.044 558 HB3 LYS 68 HB1 LYS 68 -7.203 17.161 0.203 559 HG2 LYS 68 HG2 LYS 68 -8.194 15.953 -1.837 560 HG3 LYS 68 HG1 LYS 68 -9.033 17.477 -2.140 561 HD2 LYS 68 HD2 LYS 68 -6.843 18.645 -2.008 562 HD3 LYS 68 HD1 LYS 68 -6.058 17.073 -1.882 563 HE2 LYS 68 HE2 LYS 68 -5.864 17.417 -4.124 564 HE3 LYS 68 HE1 LYS 68 -7.428 16.604 -4.086 565 HZ1 LYS 68 HZ1 LYS 68 -7.428 18.597 -5.484 566 HZ2 LYS 68 HZ2 LYS 68 -7.040 19.546 -4.143 567 HZ3 LYS 68 HZ3 LYS 68 -8.520 18.736 -4.199 568 H PHE 69 HN PHE 69 -11.472 15.804 -0.261 569 HA PHE 69 HA PHE 69 -12.761 18.312 0.299 570 HB2 PHE 69 HB2 PHE 69 -13.828 15.646 -0.658 571 HB3 PHE 69 HB1 PHE 69 -14.856 17.043 -0.381 572 HD1 PHE 69 HD1 PHE 69 -12.566 18.983 -1.483 573 HD2 PHE 69 HD2 PHE 69 -14.574 15.528 -2.962 574 HE1 PHE 69 HE1 PHE 69 -12.179 19.741 -3.791 575 HE2 PHE 69 HE2 PHE 69 -14.182 16.284 -5.268 576 HZ PHE 69 HZ PHE 69 -12.990 18.395 -5.688 577 H TYR 70 HN TYR 70 -12.587 15.147 1.790 578 HA TYR 70 HA TYR 70 -13.978 16.232 4.134 579 HB2 TYR 70 HB2 TYR 70 -14.605 13.708 2.637 580 HB3 TYR 70 HB1 TYR 70 -14.889 13.784 4.372 581 HD1 TYR 70 HD2 TYR 70 -16.570 15.329 5.289 582 HD2 TYR 70 HD1 TYR 70 -16.003 14.908 1.095 583 HE1 TYR 70 HE2 TYR 70 -18.746 16.403 4.893 584 HE2 TYR 70 HE1 TYR 70 -18.178 15.980 0.689 585 HH TYR 70 HH TYR 70 -20.521 16.210 2.696 586 H MET 1 HT1 MET 1 22.877 3.368 -1.212 587 HA MET 1 HA MET 1 24.495 1.667 -1.297 588 HB2 MET 1 HB2 MET 1 26.451 3.961 -1.116 589 HB3 MET 1 HB1 MET 1 26.907 2.294 -0.787 590 HG2 MET 1 HG2 MET 1 25.975 3.488 -3.379 591 HG3 MET 1 HG1 MET 1 27.524 2.730 -3.016 592 HE1 MET 1 HE1 MET 1 27.863 0.139 -2.664 593 HE2 MET 1 HE2 MET 1 26.559 -1.044 -2.713 594 HE3 MET 1 HE3 MET 1 26.645 0.117 -1.389 595 H PHE 2 HN PHE 2 25.665 0.787 0.629 596 HA PHE 2 HA PHE 2 25.210 2.272 3.098 597 HB2 PHE 2 HB2 PHE 2 23.673 -0.065 2.209 598 HB3 PHE 2 HB1 PHE 2 24.357 -0.233 3.820 599 HD1 PHE 2 HD2 PHE 2 23.765 1.414 5.581 600 HD2 PHE 2 HD1 PHE 2 21.841 1.353 1.787 601 HE1 PHE 2 HE2 PHE 2 21.912 2.742 6.504 602 HE2 PHE 2 HE1 PHE 2 19.986 2.682 2.701 603 HZ PHE 2 HZ PHE 2 20.020 3.373 5.059 604 H GLN 3 HN GLN 3 26.887 2.049 4.415 605 HA GLN 3 HA GLN 3 28.570 -0.348 4.197 606 HB2 GLN 3 HB2 GLN 3 30.581 0.967 4.303 607 HB3 GLN 3 HB1 GLN 3 29.606 1.568 2.972 608 HG2 GLN 3 HG2 GLN 3 29.655 2.840 5.697 609 HG3 GLN 3 HG1 GLN 3 30.729 3.312 4.384 610 HE21 GLN 3 HE21 GLN 3 28.672 4.846 5.811 611 HE22 GLN 3 HE22 GLN 3 27.587 5.417 4.593 612 H ASP 4 HN ASP 4 30.342 -0.015 6.140 613 HA ASP 4 HA ASP 4 28.781 -0.276 8.521 614 HB2 ASP 4 HB2 ASP 4 30.888 -0.793 9.621 615 HB3 ASP 4 HB1 ASP 4 30.835 -1.620 8.073 616 HA PRO 5 HA PRO 5 29.556 -0.164 10.733 617 HB2 PRO 5 HB2 PRO 5 28.645 1.266 12.985 618 HB3 PRO 5 HB1 PRO 5 30.303 0.731 12.675 619 HG2 PRO 5 HG2 PRO 5 29.417 3.375 12.792 620 HG3 PRO 5 HG1 PRO 5 30.982 2.810 12.182 621 HD2 PRO 5 HD2 PRO 5 28.536 3.579 10.676 622 HD3 PRO 5 HD1 PRO 5 30.246 3.756 10.230 623 H GLN 6 HN GLN 6 27.352 1.331 9.096 624 HA GLN 6 HA GLN 6 24.943 1.178 10.546 625 HB2 GLN 6 HB2 GLN 6 25.370 0.786 7.572 626 HB3 GLN 6 HB1 GLN 6 23.831 1.121 8.348 627 HG2 GLN 6 HG2 GLN 6 26.161 2.991 8.563 628 HG3 GLN 6 HG1 GLN 6 25.032 3.053 7.213 629 HE21 GLN 6 HE21 GLN 6 22.755 2.283 8.979 630 HE22 GLN 6 HE22 GLN 6 22.388 3.724 9.869 631 H GLU 7 HN GLU 7 23.388 -0.483 10.697 632 HA GLU 7 HA GLU 7 24.523 -3.136 10.630 633 HB2 GLU 7 HB2 GLU 7 23.039 -2.234 12.484 634 HB3 GLU 7 HB1 GLU 7 21.695 -2.405 11.363 635 HG2 GLU 7 HG2 GLU 7 21.735 -4.322 12.766 636 HG3 GLU 7 HG1 GLU 7 22.245 -4.813 11.155 637 H ARG 8 HN ARG 8 22.081 -1.282 8.933 638 HA ARG 8 HA ARG 8 20.949 -1.618 6.991 639 HB2 ARG 8 HB2 ARG 8 23.114 -3.595 6.282 640 HB3 ARG 8 HB1 ARG 8 22.110 -2.666 5.180 641 HG2 ARG 8 HG2 ARG 8 23.259 -0.688 5.608 642 HG3 ARG 8 HG1 ARG 8 23.958 -1.308 7.105 643 HD2 ARG 8 HD2 ARG 8 24.605 -2.369 4.359 644 HD3 ARG 8 HD1 ARG 8 25.565 -1.155 5.205 645 HE ARG 8 HE ARG 8 25.181 -3.501 6.780 646 HH11 ARG 8 HH11 ARG 8 27.053 -2.174 4.137 647 HH12 ARG 8 HH12 ARG 8 28.438 -3.167 4.454 648 HH21 ARG 8 HH21 ARG 8 27.003 -4.837 7.176 649 HH22 ARG 8 HH22 ARG 8 28.399 -4.699 6.154 650 HA PRO 9 HA PRO 9 19.086 -5.597 8.456 651 HB2 PRO 9 HB2 PRO 9 16.599 -4.617 8.902 652 HB3 PRO 9 HB1 PRO 9 17.894 -4.498 10.109 653 HG2 PRO 9 HG2 PRO 9 16.870 -2.428 8.235 654 HG3 PRO 9 HG1 PRO 9 17.363 -2.274 9.933 655 HD2 PRO 9 HD2 PRO 9 18.948 -1.553 7.829 656 HD3 PRO 9 HD1 PRO 9 19.574 -2.065 9.409 657 H ARG 10 HN ARG 10 16.977 -6.618 7.599 658 HA ARG 10 HA ARG 10 16.861 -6.047 4.728 659 HB2 ARG 10 HB2 ARG 10 16.654 -8.478 6.359 660 HB3 ARG 10 HB1 ARG 10 15.462 -8.380 5.070 661 HG2 ARG 10 HG2 ARG 10 17.392 -9.556 4.271 662 HG3 ARG 10 HG1 ARG 10 17.289 -7.997 3.453 663 HD2 ARG 10 HD2 ARG 10 19.568 -8.321 4.031 664 HD3 ARG 10 HD1 ARG 10 18.926 -7.117 5.147 665 HE ARG 10 HE ARG 10 18.825 -9.824 6.137 666 HH11 ARG 10 HH11 ARG 10 20.747 -6.910 5.880 667 HH12 ARG 10 HH12 ARG 10 21.742 -7.288 7.246 668 HH21 ARG 10 HH21 ARG 10 20.165 -10.335 7.938 669 HH22 ARG 10 HH22 ARG 10 21.420 -9.234 8.408 670 H LYS 11 HN LYS 11 15.245 -5.107 7.353 671 HA LYS 11 HA LYS 11 12.609 -5.231 6.059 672 HB2 LYS 11 HB2 LYS 11 13.347 -4.811 8.958 673 HB3 LYS 11 HB1 LYS 11 11.714 -4.629 8.332 674 HG2 LYS 11 HG2 LYS 11 12.083 -7.052 7.445 675 HG3 LYS 11 HG1 LYS 11 13.351 -7.098 8.671 676 HD2 LYS 11 HD2 LYS 11 11.695 -6.464 10.381 677 HD3 LYS 11 HD1 LYS 11 10.435 -6.472 9.145 678 HE2 LYS 11 HE2 LYS 11 12.116 -8.838 9.968 679 HE3 LYS 11 HE1 LYS 11 10.449 -8.545 10.455 680 HZ1 LYS 11 HZ1 LYS 11 10.341 -10.037 8.673 681 HZ2 LYS 11 HZ2 LYS 11 11.469 -9.181 7.755 682 HZ3 LYS 11 HZ3 LYS 11 9.925 -8.543 8.003 683 H LEU 12 HN LEU 12 11.754 -3.446 5.286 684 HA LEU 12 HA LEU 12 13.156 -1.090 4.969 685 HB2 LEU 12 HB2 LEU 12 11.284 -1.829 3.554 686 HB3 LEU 12 HB1 LEU 12 10.169 -1.432 4.847 687 HG LEU 12 HG LEU 12 10.748 0.934 4.660 688 HD11 LEU 12 HD11 LEU 12 13.041 0.850 4.019 689 HD12 LEU 12 HD12 LEU 12 12.161 1.655 2.718 690 HD13 LEU 12 HD13 LEU 12 12.656 -0.029 2.539 691 HD21 LEU 12 HD21 LEU 12 9.711 1.371 2.545 692 HD22 LEU 12 HD22 LEU 12 8.970 -0.068 3.243 693 HD23 LEU 12 HD23 LEU 12 10.153 -0.227 1.947 694 HA PRO 13 HA PRO 13 10.324 0.985 8.447 695 HB2 PRO 13 HB2 PRO 13 10.010 -0.889 10.523 696 HB3 PRO 13 HB1 PRO 13 8.734 -0.304 9.440 697 HG2 PRO 13 HG2 PRO 13 10.316 -2.805 9.309 698 HG3 PRO 13 HG1 PRO 13 8.625 -2.506 8.862 699 HD2 PRO 13 HD2 PRO 13 10.505 -2.777 6.994 700 HD3 PRO 13 HD1 PRO 13 9.186 -1.600 6.805 701 H GLN 14 HN GLN 14 12.477 -1.688 9.390 702 HA GLN 14 HA GLN 14 13.703 -0.266 11.517 703 HB2 GLN 14 HB2 GLN 14 14.854 -2.612 10.008 704 HB3 GLN 14 HB1 GLN 14 15.249 -2.099 11.643 705 HG2 GLN 14 HG2 GLN 14 12.902 -2.607 12.296 706 HG3 GLN 14 HG1 GLN 14 12.654 -3.284 10.687 707 HE21 GLN 14 HE21 GLN 14 15.524 -3.516 12.718 708 HE22 GLN 14 HE22 GLN 14 15.471 -5.232 12.910 709 H LEU 15 HN LEU 15 14.497 -0.730 8.113 710 HA LEU 15 HA LEU 15 17.083 0.372 8.173 711 HB2 LEU 15 HB2 LEU 15 16.137 -0.927 6.279 712 HB3 LEU 15 HB1 LEU 15 15.096 0.431 5.897 713 HG LEU 15 HG LEU 15 17.147 1.815 5.507 714 HD11 LEU 15 HD11 LEU 15 18.550 -0.844 5.759 715 HD12 LEU 15 HD12 LEU 15 18.730 0.540 6.838 716 HD13 LEU 15 HD13 LEU 15 19.278 0.649 5.166 717 HD21 LEU 15 HD21 LEU 15 17.592 0.924 3.323 718 HD22 LEU 15 HD22 LEU 15 15.879 0.709 3.686 719 HD23 LEU 15 HD23 LEU 15 16.984 -0.659 3.800 720 H CYS 16 HN CYS 16 13.898 1.821 7.846 721 HA CYS 16 HA CYS 16 14.741 4.435 7.211 722 HB2 CYS 16 HB2 CYS 16 12.245 3.625 8.722 723 HB3 CYS 16 HB1 CYS 16 12.502 5.134 7.854 724 HG CYS 16 HG CYS 16 12.495 2.093 6.291 725 H THR 17 HN THR 17 14.104 2.805 10.293 726 HA THR 17 HA THR 17 14.496 5.043 11.960 727 HB THR 17 HB THR 17 15.191 2.260 12.841 728 HG1 THR 17 HG1 THR 17 12.712 3.200 11.922 729 HG21 THR 17 HG21 THR 17 14.083 2.969 14.897 730 HG22 THR 17 HG22 THR 17 13.660 4.509 14.148 731 HG23 THR 17 HG23 THR 17 15.353 4.111 14.448 732 H GLU 18 HN GLU 18 16.683 2.603 10.662 733 HA GLU 18 HA GLU 18 18.972 3.384 12.146 734 HB2 GLU 18 HB2 GLU 18 18.536 1.179 10.891 735 HB3 GLU 18 HB1 GLU 18 19.033 2.049 9.446 736 HG2 GLU 18 HG2 GLU 18 21.183 2.566 10.569 737 HG3 GLU 18 HG1 GLU 18 20.682 1.532 11.906 738 H LEU 19 HN LEU 19 17.658 4.284 9.009 739 HA LEU 19 HA LEU 19 19.896 5.936 8.285 740 HB2 LEU 19 HB2 LEU 19 17.603 4.883 7.004 741 HB3 LEU 19 HB1 LEU 19 17.498 6.626 6.870 742 HG LEU 19 HG LEU 19 19.896 5.017 6.012 743 HD11 LEU 19 HD11 LEU 19 19.102 5.350 3.733 744 HD12 LEU 19 HD12 LEU 19 17.653 6.152 4.345 745 HD13 LEU 19 HD13 LEU 19 17.924 4.442 4.680 746 HD21 LEU 19 HD21 LEU 19 20.346 7.364 6.590 747 HD22 LEU 19 HD22 LEU 19 19.115 7.871 5.432 748 HD23 LEU 19 HD23 LEU 19 20.566 7.041 4.871 749 H GLN 20 HN GLN 20 17.531 6.288 10.537 750 HA GLN 20 HA GLN 20 16.713 8.010 11.766 751 HB2 GLN 20 HB2 GLN 20 19.007 9.486 10.463 752 HB3 GLN 20 HB1 GLN 20 18.035 10.138 11.774 753 HG2 GLN 20 HG2 GLN 20 19.201 9.028 13.308 754 HG3 GLN 20 HG1 GLN 20 19.064 7.513 12.417 755 HE21 GLN 20 HE21 GLN 20 20.719 6.869 11.084 756 HE22 GLN 20 HE22 GLN 20 22.256 7.664 11.040 757 H THR 21 HN THR 21 15.411 7.469 9.390 758 HA THR 21 HA THR 21 14.249 10.087 8.820 759 HB THR 21 HB THR 21 15.902 9.611 6.995 760 HG1 THR 21 HG1 THR 21 14.527 10.404 5.490 761 HG21 THR 21 HG21 THR 21 14.013 7.403 6.190 762 HG22 THR 21 HG22 THR 21 15.540 7.124 7.021 763 HG23 THR 21 HG23 THR 21 15.533 7.855 5.418 764 H THR 22 HN THR 22 12.327 9.427 7.052 765 HA THR 22 HA THR 22 10.792 7.359 8.485 766 HB THR 22 HB THR 22 8.761 8.570 7.705 767 HG1 THR 22 HG1 THR 22 10.233 10.870 7.155 768 HG21 THR 22 HG21 THR 22 9.720 8.979 9.947 769 HG22 THR 22 HG22 THR 22 8.914 10.405 9.294 770 HG23 THR 22 HG23 THR 22 10.675 10.302 9.278 771 H ILE 23 HN ILE 23 9.006 6.411 7.086 772 HA ILE 23 HA ILE 23 10.170 5.155 4.819 773 HB ILE 23 HB ILE 23 7.219 5.173 5.440 774 HG12 ILE 23 HG12 ILE 23 9.264 3.325 6.688 775 HG13 ILE 23 HG11 ILE 23 8.579 4.721 7.512 776 HG21 ILE 23 HG21 ILE 23 9.054 3.133 4.186 777 HG22 ILE 23 HG22 ILE 23 7.824 4.100 3.370 778 HG23 ILE 23 HG23 ILE 23 7.345 2.871 4.542 779 HD11 ILE 23 HD11 ILE 23 7.062 2.324 6.512 780 HD12 ILE 23 HD12 ILE 23 6.348 3.733 7.298 781 HD13 ILE 23 HD13 ILE 23 7.461 2.693 8.191 782 H HIS 24 HN HIS 24 8.490 8.070 5.270 783 HA HIS 24 HA HIS 24 7.404 8.260 2.601 784 HB2 HIS 24 HB2 HIS 24 7.717 10.626 4.420 785 HB3 HIS 24 HB1 HIS 24 6.437 10.279 3.267 786 HD1 HIS 24 HD1 HIS 24 4.596 8.522 4.069 787 HD2 HIS 24 HD2 HIS 24 7.273 9.796 6.982 788 HE1 HIS 24 HE1 HIS 24 3.597 7.857 6.298 789 H ASP 25 HN ASP 25 10.287 9.207 4.292 790 HA ASP 25 HA ASP 25 11.119 10.934 2.084 791 HB2 ASP 25 HB2 ASP 25 11.339 11.831 4.350 792 HB3 ASP 25 HB1 ASP 25 12.381 10.483 4.794 793 H ILE 26 HN ILE 26 11.821 7.817 3.470 794 HA ILE 26 HA ILE 26 14.431 7.488 2.500 795 HB ILE 26 HB ILE 26 13.299 5.981 4.155 796 HG12 ILE 26 HG12 ILE 26 14.489 4.468 1.832 797 HG13 ILE 26 HG11 ILE 26 15.449 5.478 2.907 798 HG21 ILE 26 HG21 ILE 26 11.198 5.644 2.928 799 HG22 ILE 26 HG22 ILE 26 11.967 4.118 3.358 800 HG23 ILE 26 HG23 ILE 26 12.073 4.721 1.706 801 HD11 ILE 26 HD11 ILE 26 13.806 3.108 3.763 802 HD12 ILE 26 HD12 ILE 26 14.850 4.090 4.793 803 HD13 ILE 26 HD13 ILE 26 15.550 3.111 3.503 804 H ILE 27 HN ILE 27 15.281 6.813 0.618 805 HA ILE 27 HA ILE 27 13.443 6.599 -1.669 806 HB ILE 27 HB ILE 27 16.359 7.407 -1.678 807 HG12 ILE 27 HG12 ILE 27 14.951 9.127 -0.640 808 HG13 ILE 27 HG11 ILE 27 15.554 9.664 -2.203 809 HG21 ILE 27 HG21 ILE 27 15.946 8.043 -4.019 810 HG22 ILE 27 HG22 ILE 27 14.322 7.368 -3.898 811 HG23 ILE 27 HG23 ILE 27 15.727 6.316 -3.743 812 HD11 ILE 27 HD11 ILE 27 13.355 9.017 -3.186 813 HD12 ILE 27 HD12 ILE 27 13.281 10.332 -2.014 814 HD13 ILE 27 HD13 ILE 27 12.780 8.708 -1.547 815 H LEU 28 HN LEU 28 13.265 4.658 -2.546 816 HA LEU 28 HA LEU 28 15.508 2.769 -2.271 817 HB2 LEU 28 HB2 LEU 28 12.746 2.505 -1.515 818 HB3 LEU 28 HB1 LEU 28 13.114 1.344 -2.775 819 HG LEU 28 HG LEU 28 14.891 0.375 -1.429 820 HD11 LEU 28 HD11 LEU 28 15.247 1.132 0.898 821 HD12 LEU 28 HD12 LEU 28 14.187 2.504 0.585 822 HD13 LEU 28 HD13 LEU 28 15.707 2.347 -0.292 823 HD21 LEU 28 HD21 LEU 28 12.484 0.711 0.345 824 HD22 LEU 28 HD22 LEU 28 13.561 -0.681 0.216 825 HD23 LEU 28 HD23 LEU 28 12.469 -0.283 -1.111 826 H GLU 29 HN GLU 29 15.947 1.440 -4.083 827 HA GLU 29 HA GLU 29 14.738 2.436 -6.579 828 HB2 GLU 29 HB2 GLU 29 17.499 1.248 -6.306 829 HB3 GLU 29 HB1 GLU 29 16.825 2.090 -7.696 830 HG2 GLU 29 HG2 GLU 29 16.622 4.106 -6.130 831 HG3 GLU 29 HG1 GLU 29 17.711 3.219 -5.068 832 H CYS 30 HN CYS 30 14.392 0.925 -8.266 833 HA CYS 30 HA CYS 30 13.526 -1.633 -7.300 834 HB2 CYS 30 HB2 CYS 30 12.243 -0.408 -9.000 835 HB3 CYS 30 HB1 CYS 30 13.595 -0.539 -10.120 836 H VAL 31 HN VAL 31 14.382 -3.595 -7.617 837 HA VAL 31 HA VAL 31 17.162 -3.768 -8.283 838 HB VAL 31 HB VAL 31 16.078 -5.160 -6.518 839 HG11 VAL 31 HG11 VAL 31 14.839 -7.177 -7.197 840 HG12 VAL 31 HG12 VAL 31 14.831 -6.585 -8.859 841 HG13 VAL 31 HG13 VAL 31 13.989 -5.683 -7.598 842 HG21 VAL 31 HG21 VAL 31 17.423 -6.733 -8.709 843 HG22 VAL 31 HG22 VAL 31 17.285 -7.216 -7.020 844 HG23 VAL 31 HG23 VAL 31 18.237 -5.798 -7.456 845 H TYR 32 HN TYR 32 14.242 -4.006 -10.038 846 HA TYR 32 HA TYR 32 15.563 -5.485 -12.206 847 HB2 TYR 32 HB2 TYR 32 12.658 -5.004 -11.575 848 HB3 TYR 32 HB1 TYR 32 13.198 -5.639 -13.125 849 HD1 TYR 32 HD2 TYR 32 15.024 -7.645 -12.766 850 HD2 TYR 32 HD1 TYR 32 11.887 -6.591 -10.096 851 HE1 TYR 32 HE2 TYR 32 15.061 -9.919 -11.837 852 HE2 TYR 32 HE1 TYR 32 11.914 -8.864 -9.158 853 HH TYR 32 HH TYR 32 14.388 -10.988 -9.560 854 H CYS 33 HN CYS 33 13.252 -2.781 -11.864 855 HA CYS 33 HA CYS 33 13.768 -1.742 -14.450 856 HB2 CYS 33 HB2 CYS 33 12.695 -0.115 -12.161 857 HB3 CYS 33 HB1 CYS 33 12.292 -0.006 -13.872 858 H LYS 34 HN LYS 34 15.323 -1.360 -11.395 859 HA LYS 34 HA LYS 34 17.220 -0.314 -10.729 860 HB2 LYS 34 HB2 LYS 34 17.673 0.461 -13.613 861 HB3 LYS 34 HB1 LYS 34 18.871 0.393 -12.331 862 HG2 LYS 34 HG2 LYS 34 17.403 -1.975 -13.470 863 HG3 LYS 34 HG1 LYS 34 19.048 -1.489 -13.881 864 HD2 LYS 34 HD2 LYS 34 19.561 -1.713 -11.392 865 HD3 LYS 34 HD1 LYS 34 18.006 -2.542 -11.261 866 HE2 LYS 34 HE2 LYS 34 20.391 -3.356 -12.915 867 HE3 LYS 34 HE1 LYS 34 19.722 -4.197 -11.520 868 HZ1 LYS 34 HZ1 LYS 34 19.157 -5.051 -13.855 869 HZ2 LYS 34 HZ2 LYS 34 18.081 -3.751 -13.932 870 HZ3 LYS 34 HZ3 LYS 34 17.903 -4.924 -12.728 871 H GLN 35 HN GLN 35 14.567 1.144 -11.544 872 HA GLN 35 HA GLN 35 15.582 3.887 -11.529 873 HB2 GLN 35 HB2 GLN 35 13.428 4.583 -12.222 874 HB3 GLN 35 HB1 GLN 35 13.777 3.136 -13.154 875 HG2 GLN 35 HG2 GLN 35 12.392 1.818 -11.642 876 HG3 GLN 35 HG1 GLN 35 12.053 3.261 -10.689 877 HE21 GLN 35 HE21 GLN 35 11.890 4.961 -13.072 878 HE22 GLN 35 HE22 GLN 35 10.368 4.595 -13.805 879 H GLN 36 HN GLN 36 14.199 5.412 -10.116 880 HA GLN 36 HA GLN 36 14.312 4.339 -7.432 881 HB2 GLN 36 HB2 GLN 36 13.710 7.129 -8.418 882 HB3 GLN 36 HB1 GLN 36 13.921 6.675 -6.730 883 HG2 GLN 36 HG2 GLN 36 16.216 5.774 -7.519 884 HG3 GLN 36 HG1 GLN 36 15.949 6.806 -8.921 885 HE21 GLN 36 HE21 GLN 36 17.867 6.849 -6.626 886 HE22 GLN 36 HE22 GLN 36 17.753 8.459 -5.997 887 H LEU 37 HN LEU 37 12.647 3.793 -6.205 888 HA LEU 37 HA LEU 37 10.089 3.423 -7.372 889 HB2 LEU 37 HB2 LEU 37 11.423 2.768 -4.857 890 HB3 LEU 37 HB1 LEU 37 9.719 3.125 -4.659 891 HG LEU 37 HG LEU 37 9.234 1.404 -6.424 892 HD11 LEU 37 HD11 LEU 37 11.418 1.379 -7.502 893 HD12 LEU 37 HD12 LEU 37 10.974 -0.228 -6.928 894 HD13 LEU 37 HD13 LEU 37 12.145 0.736 -6.029 895 HD21 LEU 37 HD21 LEU 37 8.934 0.870 -4.097 896 HD22 LEU 37 HD22 LEU 37 10.654 0.531 -3.915 897 HD23 LEU 37 HD23 LEU 37 9.651 -0.515 -4.920 898 H LEU 38 HN LEU 38 8.162 4.395 -6.972 899 HA LEU 38 HA LEU 38 8.250 7.178 -6.265 900 HB2 LEU 38 HB2 LEU 38 5.769 5.510 -6.650 901 HB3 LEU 38 HB1 LEU 38 5.953 7.237 -6.880 902 HG LEU 38 HG LEU 38 7.339 5.196 -8.615 903 HD11 LEU 38 HD11 LEU 38 4.721 6.613 -9.068 904 HD12 LEU 38 HD12 LEU 38 4.960 4.879 -8.852 905 HD13 LEU 38 HD13 LEU 38 5.601 5.687 -10.283 906 HD21 LEU 38 HD21 LEU 38 7.479 7.139 -10.162 907 HD22 LEU 38 HD22 LEU 38 8.406 7.335 -8.677 908 HD23 LEU 38 HD23 LEU 38 6.859 8.156 -8.865 909 H ARG 39 HN ARG 39 6.885 8.135 -4.585 910 HA ARG 39 HA ARG 39 7.337 7.049 -2.060 911 HB2 ARG 39 HB2 ARG 39 6.751 9.464 -2.681 912 HB3 ARG 39 HB1 ARG 39 5.072 8.943 -2.667 913 HG2 ARG 39 HG2 ARG 39 5.321 8.255 -0.324 914 HG3 ARG 39 HG1 ARG 39 6.990 8.825 -0.350 915 HD2 ARG 39 HD2 ARG 39 5.682 10.542 0.644 916 HD3 ARG 39 HD1 ARG 39 6.105 11.086 -0.978 917 HE ARG 39 HE ARG 39 3.787 10.252 -1.593 918 HH11 ARG 39 HH11 ARG 39 4.587 11.493 1.580 919 HH12 ARG 39 HH12 ARG 39 2.971 12.026 1.920 920 HH21 ARG 39 HH21 ARG 39 1.654 10.962 -1.150 921 HH22 ARG 39 HH22 ARG 39 1.309 11.738 0.364 922 H ARG 40 HN ARG 40 4.544 6.779 -4.186 923 HA ARG 40 HA ARG 40 2.830 5.513 -2.309 924 HB2 ARG 40 HB2 ARG 40 2.790 5.448 -5.334 925 HB3 ARG 40 HB1 ARG 40 1.499 4.855 -4.301 926 HG2 ARG 40 HG2 ARG 40 2.457 7.707 -4.388 927 HG3 ARG 40 HG1 ARG 40 1.050 7.081 -5.246 928 HD2 ARG 40 HD2 ARG 40 1.464 7.277 -2.271 929 HD3 ARG 40 HD1 ARG 40 0.270 8.121 -3.252 930 HE ARG 40 HE ARG 40 -0.465 5.615 -3.692 931 HH11 ARG 40 HH11 ARG 40 0.357 7.258 -0.711 932 HH12 ARG 40 HH12 ARG 40 -0.558 6.176 0.294 933 HH21 ARG 40 HH21 ARG 40 -1.629 4.153 -2.358 934 HH22 ARG 40 HH22 ARG 40 -1.637 4.394 -0.638 935 H GLU 41 HN GLU 41 5.232 4.343 -4.592 936 HA GLU 41 HA GLU 41 4.508 1.594 -4.406 937 HB2 GLU 41 HB2 GLU 41 7.107 2.868 -5.286 938 HB3 GLU 41 HB1 GLU 41 6.681 1.177 -5.515 939 HG2 GLU 41 HG2 GLU 41 4.807 1.836 -6.932 940 HG3 GLU 41 HG1 GLU 41 5.219 3.531 -6.692 941 H VAL 42 HN VAL 42 6.797 3.671 -2.707 942 HA VAL 42 HA VAL 42 8.126 1.645 -1.263 943 HB VAL 42 HB VAL 42 7.651 4.516 -0.417 944 HG11 VAL 42 HG11 VAL 42 9.668 4.214 0.950 945 HG12 VAL 42 HG12 VAL 42 9.736 2.519 0.464 946 HG13 VAL 42 HG13 VAL 42 8.383 3.106 1.433 947 HG21 VAL 42 HG21 VAL 42 9.941 3.292 -1.958 948 HG22 VAL 42 HG22 VAL 42 9.861 4.958 -1.386 949 HG23 VAL 42 HG23 VAL 42 8.720 4.390 -2.607 950 H TYR 43 HN TYR 43 5.153 3.432 -0.703 951 HA TYR 43 HA TYR 43 4.671 2.566 1.944 952 HB2 TYR 43 HB2 TYR 43 2.787 3.486 -0.231 953 HB3 TYR 43 HB1 TYR 43 2.271 3.137 1.412 954 HD1 TYR 43 HD1 TYR 43 4.963 4.352 2.590 955 HD2 TYR 43 HD2 TYR 43 1.970 5.753 -0.089 956 HE1 TYR 43 HE1 TYR 43 5.461 6.665 3.249 957 HE2 TYR 43 HE2 TYR 43 2.466 8.068 0.562 958 HH TYR 43 HH TYR 43 3.434 9.277 2.447 959 H ASP 44 HN ASP 44 3.861 1.248 -1.211 960 HA ASP 44 HA ASP 44 2.163 -0.832 -0.314 961 HB2 ASP 44 HB2 ASP 44 2.490 0.116 -2.702 962 HB3 ASP 44 HB1 ASP 44 3.859 -0.985 -2.801 963 H PHE 45 HN PHE 45 5.622 -0.628 -0.994 964 HA PHE 45 HA PHE 45 6.289 -3.321 -0.622 965 HB2 PHE 45 HB2 PHE 45 7.707 -1.357 -1.523 966 HB3 PHE 45 HB1 PHE 45 8.116 -1.066 0.163 967 HD1 PHE 45 HD1 PHE 45 8.348 -3.490 -2.601 968 HD2 PHE 45 HD2 PHE 45 9.679 -2.434 1.300 969 HE1 PHE 45 HE1 PHE 45 10.125 -5.183 -2.757 970 HE2 PHE 45 HE2 PHE 45 11.462 -4.128 1.154 971 HZ PHE 45 HZ PHE 45 11.684 -5.505 -0.880 972 H ALA 46 HN ALA 46 5.898 -0.689 1.681 973 HA ALA 46 HA ALA 46 6.853 -2.238 3.918 974 HB1 ALA 46 HB1 ALA 46 7.151 0.198 3.836 975 HB2 ALA 46 HB2 ALA 46 6.247 -0.306 5.263 976 HB3 ALA 46 HB3 ALA 46 5.403 0.411 3.890 977 H PHE 47 HN PHE 47 3.887 -1.858 2.271 978 HA PHE 47 HA PHE 47 2.220 -2.578 4.523 979 HB2 PHE 47 HB2 PHE 47 1.563 -1.083 2.520 980 HB3 PHE 47 HB1 PHE 47 1.350 -2.595 1.642 981 HD1 PHE 47 HD1 PHE 47 0.258 -0.797 4.704 982 HD2 PHE 47 HD2 PHE 47 -0.655 -3.760 1.791 983 HE1 PHE 47 HE1 PHE 47 -2.016 -0.993 5.623 984 HE2 PHE 47 HE2 PHE 47 -2.931 -3.961 2.703 985 HZ PHE 47 HZ PHE 47 -3.612 -2.578 4.623 986 H ARG 48 HN ARG 48 3.729 -4.108 1.775 987 HA ARG 48 HA ARG 48 2.343 -6.617 2.228 988 HB2 ARG 48 HB2 ARG 48 4.574 -5.934 0.298 989 HB3 ARG 48 HB1 ARG 48 3.691 -7.455 0.333 990 HG2 ARG 48 HG2 ARG 48 1.608 -6.192 -0.143 991 HG3 ARG 48 HG1 ARG 48 2.582 -4.731 -0.321 992 HD2 ARG 48 HD2 ARG 48 3.924 -6.245 -2.009 993 HD3 ARG 48 HD1 ARG 48 2.402 -7.132 -2.076 994 HE ARG 48 HE ARG 48 2.092 -4.283 -2.422 995 HH11 ARG 48 HH11 ARG 48 2.702 -7.333 -4.062 996 HH12 ARG 48 HH12 ARG 48 2.253 -6.727 -5.619 997 HH21 ARG 48 HH21 ARG 48 1.533 -3.477 -4.457 998 HH22 ARG 48 HH22 ARG 48 1.599 -4.514 -5.857 999 H ASP 49 HN ASP 49 3.570 -8.623 2.542 1000 HA ASP 49 HA ASP 49 5.485 -8.279 4.685 1001 HB2 ASP 49 HB2 ASP 49 5.297 -10.752 4.892 1002 HB3 ASP 49 HB1 ASP 49 3.737 -9.940 4.966 1003 H LEU 50 HN LEU 50 6.606 -7.319 2.398 1004 HA LEU 50 HA LEU 50 8.343 -9.447 1.382 1005 HB2 LEU 50 HB2 LEU 50 7.149 -7.142 0.200 1006 HB3 LEU 50 HB1 LEU 50 8.892 -6.974 0.104 1007 HG LEU 50 HG LEU 50 8.857 -9.373 -0.863 1008 HD11 LEU 50 HD11 LEU 50 6.818 -10.000 -2.001 1009 HD12 LEU 50 HD12 LEU 50 6.005 -8.558 -1.396 1010 HD13 LEU 50 HD13 LEU 50 6.510 -9.820 -0.274 1011 HD21 LEU 50 HD21 LEU 50 7.769 -7.031 -2.418 1012 HD22 LEU 50 HD22 LEU 50 8.461 -8.492 -3.122 1013 HD23 LEU 50 HD23 LEU 50 9.468 -7.416 -2.156 1014 H CYS 51 HN CYS 51 10.634 -8.915 1.071 1015 HA CYS 51 HA CYS 51 11.647 -7.196 3.233 1016 HB2 CYS 51 HB2 CYS 51 12.965 -9.713 2.192 1017 HB3 CYS 51 HB1 CYS 51 13.487 -8.734 3.558 1018 HG CYS 51 HG CYS 51 10.370 -9.930 3.827 1019 H ILE 52 HN ILE 52 13.851 -6.367 2.813 1020 HA ILE 52 HA ILE 52 13.968 -5.321 0.133 1021 HB ILE 52 HB ILE 52 15.987 -4.938 2.343 1022 HG12 ILE 52 HG12 ILE 52 13.607 -3.188 1.684 1023 HG13 ILE 52 HG11 ILE 52 13.658 -4.319 3.034 1024 HG21 ILE 52 HG21 ILE 52 16.757 -4.311 0.120 1025 HG22 ILE 52 HG22 ILE 52 16.527 -2.880 1.125 1026 HG23 ILE 52 HG23 ILE 52 15.330 -3.298 -0.101 1027 HD11 ILE 52 HD11 ILE 52 15.484 -3.095 4.028 1028 HD12 ILE 52 HD12 ILE 52 14.123 -2.021 3.714 1029 HD13 ILE 52 HD13 ILE 52 15.526 -1.997 2.649 1030 H VAL 53 HN VAL 53 15.112 -6.095 -1.494 1031 HA VAL 53 HA VAL 53 16.931 -8.314 -0.991 1032 HB VAL 53 HB VAL 53 17.034 -8.273 -3.603 1033 HG11 VAL 53 HG11 VAL 53 14.547 -9.098 -2.096 1034 HG12 VAL 53 HG12 VAL 53 16.006 -10.065 -2.325 1035 HG13 VAL 53 HG13 VAL 53 14.990 -9.659 -3.709 1036 HG21 VAL 53 HG21 VAL 53 15.077 -7.368 -4.696 1037 HG22 VAL 53 HG22 VAL 53 15.921 -6.083 -3.830 1038 HG23 VAL 53 HG23 VAL 53 14.452 -6.785 -3.154 1039 H TYR 54 HN TYR 54 19.019 -7.999 -0.807 1040 HA TYR 54 HA TYR 54 20.154 -5.435 -1.616 1041 HB2 TYR 54 HB2 TYR 54 21.042 -7.626 0.235 1042 HB3 TYR 54 HB1 TYR 54 22.198 -6.449 -0.383 1043 HD1 TYR 54 HD1 TYR 54 18.868 -6.582 1.322 1044 HD2 TYR 54 HD2 TYR 54 22.529 -4.472 0.793 1045 HE1 TYR 54 HE1 TYR 54 18.198 -4.994 3.075 1046 HE2 TYR 54 HE2 TYR 54 21.864 -2.879 2.550 1047 HH TYR 54 HH TYR 54 19.048 -3.414 4.545 1048 H ARG 55 HN ARG 55 20.863 -5.341 -3.594 1049 HA ARG 55 HA ARG 55 22.401 -7.617 -4.676 1050 HB2 ARG 55 HB2 ARG 55 20.100 -6.198 -5.747 1051 HB3 ARG 55 HB1 ARG 55 21.472 -6.108 -6.841 1052 HG2 ARG 55 HG2 ARG 55 20.400 -8.678 -5.703 1053 HG3 ARG 55 HG1 ARG 55 19.910 -8.006 -7.259 1054 HD2 ARG 55 HD2 ARG 55 22.693 -8.859 -6.456 1055 HD3 ARG 55 HD1 ARG 55 21.626 -9.674 -7.598 1056 HE ARG 55 HE ARG 55 21.804 -7.423 -8.855 1057 HH11 ARG 55 HH11 ARG 55 24.389 -8.974 -7.069 1058 HH12 ARG 55 HH12 ARG 55 25.645 -8.242 -8.014 1059 HH21 ARG 55 HH21 ARG 55 23.460 -6.466 -10.095 1060 HH22 ARG 55 HH22 ARG 55 25.118 -6.819 -9.729 1061 H ASP 56 HN ASP 56 24.409 -7.138 -5.282 1062 HA ASP 56 HA ASP 56 26.262 -5.988 -5.927 1063 HB2 ASP 56 HB2 ASP 56 25.110 -4.800 -7.622 1064 HB3 ASP 56 HB1 ASP 56 24.236 -3.817 -6.454 1065 H GLY 57 HN GLY 57 24.147 -4.678 -3.510 1066 HA2 GLY 57 HA2 GLY 57 25.418 -4.502 -1.314 1067 HA3 GLY 57 HA1 GLY 57 26.442 -3.373 -2.190 1068 H ASN 58 HN ASN 58 23.612 -2.843 -3.536 1069 HA ASN 58 HA ASN 58 22.937 -0.683 -1.669 1070 HB2 ASN 58 HB2 ASN 58 23.508 -0.317 -4.183 1071 HB3 ASN 58 HB1 ASN 58 21.886 -0.931 -4.477 1072 HD21 ASN 58 HD21 ASN 58 20.946 0.890 -5.205 1073 HD22 ASN 58 HD22 ASN 58 20.754 2.327 -4.268 1074 HA PRO 59 HA PRO 59 19.229 -2.937 -0.616 1075 HB2 PRO 59 HB2 PRO 59 18.044 -0.358 0.145 1076 HB3 PRO 59 HB1 PRO 59 18.442 -1.751 1.167 1077 HG2 PRO 59 HG2 PRO 59 19.807 0.549 1.294 1078 HG3 PRO 59 HG1 PRO 59 20.563 -1.031 1.577 1079 HD2 PRO 59 HD2 PRO 59 20.679 0.705 -0.848 1080 HD3 PRO 59 HD1 PRO 59 21.952 -0.279 -0.098 1081 H TYR 60 HN TYR 60 18.445 -3.500 -2.632 1082 HA TYR 60 HA TYR 60 16.897 -1.514 -4.110 1083 HB2 TYR 60 HB2 TYR 60 18.028 -4.210 -4.799 1084 HB3 TYR 60 HB1 TYR 60 16.742 -3.505 -5.772 1085 HD1 TYR 60 HD1 TYR 60 17.156 -1.159 -6.738 1086 HD2 TYR 60 HD2 TYR 60 20.260 -3.634 -5.221 1087 HE1 TYR 60 HE1 TYR 60 18.804 0.141 -8.015 1088 HE2 TYR 60 HE2 TYR 60 21.920 -2.339 -6.494 1089 HH TYR 60 HH TYR 60 21.112 0.633 -8.093 1090 H ALA 61 HN ALA 61 14.759 -2.054 -4.849 1091 HA ALA 61 HA ALA 61 13.377 -4.035 -3.171 1092 HB1 ALA 61 HB1 ALA 61 13.015 -1.816 -2.219 1093 HB2 ALA 61 HB2 ALA 61 11.517 -2.470 -2.887 1094 HB3 ALA 61 HB3 ALA 61 12.415 -1.235 -3.773 1095 H VAL 62 HN VAL 62 10.922 -3.958 -4.079 1096 HA VAL 62 HA VAL 62 11.102 -4.279 -6.999 1097 HB VAL 62 HB VAL 62 9.300 -5.968 -5.269 1098 HG11 VAL 62 HG11 VAL 62 9.284 -7.445 -7.196 1099 HG12 VAL 62 HG12 VAL 62 10.415 -6.384 -8.035 1100 HG13 VAL 62 HG13 VAL 62 8.790 -5.815 -7.655 1101 HG21 VAL 62 HG21 VAL 62 10.968 -7.792 -5.470 1102 HG22 VAL 62 HG22 VAL 62 11.516 -6.453 -4.463 1103 HG23 VAL 62 HG23 VAL 62 12.122 -6.621 -6.111 1104 H CYS 63 HN CYS 63 9.821 -2.814 -7.944 1105 HA CYS 63 HA CYS 63 7.762 -1.470 -6.464 1106 HB2 CYS 63 HB2 CYS 63 7.341 -0.461 -8.824 1107 HB3 CYS 63 HB1 CYS 63 8.820 -0.054 -7.964 1108 H ASP 64 HN ASP 64 5.570 -1.171 -7.545 1109 HA ASP 64 HA ASP 64 4.168 -3.572 -7.510 1110 HB2 ASP 64 HB2 ASP 64 3.152 -1.348 -7.125 1111 HB3 ASP 64 HB1 ASP 64 3.316 -0.994 -8.842 1112 H LYS 65 HN LYS 65 5.796 -2.002 -10.118 1113 HA LYS 65 HA LYS 65 4.457 -3.174 -12.296 1114 HB2 LYS 65 HB2 LYS 65 7.285 -2.151 -12.023 1115 HB3 LYS 65 HB1 LYS 65 6.594 -2.685 -13.548 1116 HG2 LYS 65 HG2 LYS 65 6.170 -0.477 -13.751 1117 HG3 LYS 65 HG1 LYS 65 4.722 -0.925 -12.848 1118 HD2 LYS 65 HD2 LYS 65 5.470 0.894 -11.644 1119 HD3 LYS 65 HD1 LYS 65 6.221 -0.439 -10.764 1120 HE2 LYS 65 HE2 LYS 65 8.235 -0.074 -12.299 1121 HE3 LYS 65 HE1 LYS 65 7.476 1.461 -12.720 1122 HZ1 LYS 65 HZ1 LYS 65 8.624 0.594 -10.155 1123 HZ2 LYS 65 HZ2 LYS 65 7.385 1.755 -10.149 1124 HZ3 LYS 65 HZ3 LYS 65 8.833 2.056 -10.984 1125 H CYS 66 HN CYS 66 7.586 -4.091 -10.825 1126 HA CYS 66 HA CYS 66 7.661 -6.571 -12.234 1127 HB2 CYS 66 HB2 CYS 66 9.327 -6.212 -9.817 1128 HB3 CYS 66 HB1 CYS 66 9.782 -6.744 -11.432 1129 H LEU 67 HN LEU 67 6.557 -5.514 -9.102 1130 HA LEU 67 HA LEU 67 6.467 -7.924 -7.719 1131 HB2 LEU 67 HB2 LEU 67 5.240 -5.292 -7.473 1132 HB3 LEU 67 HB1 LEU 67 4.254 -6.578 -6.808 1133 HG LEU 67 HG LEU 67 7.129 -6.085 -6.033 1134 HD11 LEU 67 HD11 LEU 67 5.738 -4.196 -5.385 1135 HD12 LEU 67 HD12 LEU 67 6.202 -5.140 -3.969 1136 HD13 LEU 67 HD13 LEU 67 4.575 -5.291 -4.637 1137 HD21 LEU 67 HD21 LEU 67 6.616 -7.581 -4.177 1138 HD22 LEU 67 HD22 LEU 67 6.337 -8.394 -5.716 1139 HD23 LEU 67 HD23 LEU 67 4.973 -7.787 -4.780 1140 H LYS 68 HN LYS 68 4.159 -6.667 -10.092 1141 HA LYS 68 HA LYS 68 2.153 -8.594 -9.436 1142 HB2 LYS 68 HB2 LYS 68 1.009 -7.851 -11.447 1143 HB3 LYS 68 HB1 LYS 68 1.566 -6.479 -10.503 1144 HG2 LYS 68 HG2 LYS 68 3.522 -6.311 -12.046 1145 HG3 LYS 68 HG1 LYS 68 2.769 -7.562 -13.037 1146 HD2 LYS 68 HD2 LYS 68 0.900 -6.181 -13.519 1147 HD3 LYS 68 HD1 LYS 68 1.380 -4.993 -12.304 1148 HE2 LYS 68 HE2 LYS 68 3.453 -4.587 -13.645 1149 HE3 LYS 68 HE1 LYS 68 2.782 -5.632 -14.897 1150 HZ1 LYS 68 HZ1 LYS 68 1.521 -3.138 -13.890 1151 HZ2 LYS 68 HZ2 LYS 68 0.924 -4.127 -15.125 1152 HZ3 LYS 68 HZ3 LYS 68 2.371 -3.289 -15.345 1153 H PHE 69 HN PHE 69 5.007 -8.697 -11.338 1154 HA PHE 69 HA PHE 69 4.163 -10.863 -13.022 1155 HB2 PHE 69 HB2 PHE 69 6.907 -9.719 -12.455 1156 HB3 PHE 69 HB1 PHE 69 6.594 -10.994 -13.627 1157 HD1 PHE 69 HD2 PHE 69 4.117 -10.069 -14.881 1158 HD2 PHE 69 HD1 PHE 69 7.591 -7.894 -13.722 1159 HE1 PHE 69 HE2 PHE 69 3.621 -8.370 -16.584 1160 HE2 PHE 69 HE1 PHE 69 7.097 -6.187 -15.426 1161 HZ PHE 69 HZ PHE 69 5.107 -6.425 -16.861 1162 H TYR 70 HN TYR 70 5.572 -10.571 -9.876 1163 HA TYR 70 HA TYR 70 6.174 -13.445 -9.834 1164 HB2 TYR 70 HB2 TYR 70 7.147 -11.172 -8.091 1165 HB3 TYR 70 HB1 TYR 70 7.454 -12.867 -7.727 1166 HD1 TYR 70 HD1 TYR 70 8.890 -14.216 -9.197 1167 HD2 TYR 70 HD2 TYR 70 8.368 -10.043 -9.826 1168 HE1 TYR 70 HE1 TYR 70 10.867 -14.193 -10.654 1169 HE2 TYR 70 HE2 TYR 70 10.343 -10.012 -11.286 1170 HH TYR 70 HH TYR 70 12.511 -11.530 -11.466 Start of MODEL 2 1 H MET 1 HT1 MET 1 -23.514 -3.193 -3.731 2 HA MET 1 HA MET 1 -24.884 -5.500 -4.980 3 HB2 MET 1 HB2 MET 1 -22.798 -6.283 -5.719 4 HB3 MET 1 HB1 MET 1 -22.777 -4.572 -6.110 5 HG2 MET 1 HG2 MET 1 -21.432 -5.865 -3.745 6 HG3 MET 1 HG1 MET 1 -20.641 -5.310 -5.219 7 HE1 MET 1 HE1 MET 1 -18.921 -3.639 -4.249 8 HE2 MET 1 HE2 MET 1 -19.341 -4.376 -2.702 9 HE3 MET 1 HE3 MET 1 -19.259 -2.621 -2.849 10 H PHE 2 HN PHE 2 -24.195 -4.082 -2.095 11 HA PHE 2 HA PHE 2 -23.273 -6.509 -0.765 12 HB2 PHE 2 HB2 PHE 2 -22.830 -3.819 -0.285 13 HB3 PHE 2 HB1 PHE 2 -23.992 -4.264 0.959 14 HD1 PHE 2 HD1 PHE 2 -20.702 -5.148 -0.479 15 HD2 PHE 2 HD2 PHE 2 -23.328 -5.475 2.850 16 HE1 PHE 2 HE1 PHE 2 -18.882 -6.132 0.851 17 HE2 PHE 2 HE2 PHE 2 -21.512 -6.460 4.189 18 HZ PHE 2 HZ PHE 2 -19.287 -6.787 3.189 19 H GLN 3 HN GLN 3 -24.494 -7.645 0.737 20 HA GLN 3 HA GLN 3 -27.382 -7.149 0.554 21 HB2 GLN 3 HB2 GLN 3 -26.738 -9.650 1.831 22 HB3 GLN 3 HB1 GLN 3 -27.653 -9.361 0.359 23 HG2 GLN 3 HG2 GLN 3 -25.977 -10.657 -0.462 24 HG3 GLN 3 HG1 GLN 3 -25.255 -9.066 -0.677 25 HE21 GLN 3 HE21 GLN 3 -25.160 -12.041 1.081 26 HE22 GLN 3 HE22 GLN 3 -23.651 -11.762 1.874 27 H ASP 4 HN ASP 4 -28.382 -8.406 2.677 28 HA ASP 4 HA ASP 4 -27.144 -7.110 5.014 29 HB2 ASP 4 HB2 ASP 4 -29.115 -5.818 4.272 30 HB3 ASP 4 HB1 ASP 4 -30.105 -7.269 4.383 31 HA PRO 5 HA PRO 5 -27.240 -7.080 6.997 32 HB2 PRO 5 HB2 PRO 5 -26.038 -8.406 9.166 33 HB3 PRO 5 HB1 PRO 5 -27.641 -7.652 9.154 34 HG2 PRO 5 HG2 PRO 5 -27.076 -10.391 9.401 35 HG3 PRO 5 HG1 PRO 5 -28.659 -9.636 9.158 36 HD2 PRO 5 HD2 PRO 5 -26.888 -10.969 7.193 37 HD3 PRO 5 HD1 PRO 5 -28.658 -10.808 7.202 38 H GLN 6 HN GLN 6 -25.254 -10.018 7.368 39 HA GLN 6 HA GLN 6 -23.102 -10.517 6.887 40 HB2 GLN 6 HB2 GLN 6 -23.698 -8.398 4.899 41 HB3 GLN 6 HB1 GLN 6 -22.002 -8.759 5.184 42 HG2 GLN 6 HG2 GLN 6 -24.145 -10.520 4.079 43 HG3 GLN 6 HG1 GLN 6 -22.561 -10.132 3.411 44 HE21 GLN 6 HE21 GLN 6 -20.685 -11.039 4.470 45 HE22 GLN 6 HE22 GLN 6 -20.830 -12.572 5.271 46 H GLU 7 HN GLU 7 -23.993 -8.148 8.753 47 HA GLU 7 HA GLU 7 -23.013 -6.950 10.406 48 HB2 GLU 7 HB2 GLU 7 -21.457 -8.829 10.661 49 HB3 GLU 7 HB1 GLU 7 -20.423 -8.153 9.412 50 HG2 GLU 7 HG2 GLU 7 -19.364 -7.503 11.355 51 HG3 GLU 7 HG1 GLU 7 -20.316 -6.078 10.942 52 H ARG 8 HN ARG 8 -21.167 -6.825 7.383 53 HA ARG 8 HA ARG 8 -20.420 -5.121 6.102 54 HB2 ARG 8 HB2 ARG 8 -22.442 -3.576 7.721 55 HB3 ARG 8 HB1 ARG 8 -21.491 -2.841 6.438 56 HG2 ARG 8 HG2 ARG 8 -22.427 -4.388 4.820 57 HG3 ARG 8 HG1 ARG 8 -23.346 -5.189 6.095 58 HD2 ARG 8 HD2 ARG 8 -23.637 -2.272 5.408 59 HD3 ARG 8 HD1 ARG 8 -24.633 -3.541 4.699 60 HE ARG 8 HE ARG 8 -24.648 -2.679 7.505 61 HH11 ARG 8 HH11 ARG 8 -26.037 -4.619 4.935 62 HH12 ARG 8 HH12 ARG 8 -27.507 -4.943 5.809 63 HH21 ARG 8 HH21 ARG 8 -26.618 -3.123 8.644 64 HH22 ARG 8 HH22 ARG 8 -27.836 -4.099 7.879 65 HA PRO 9 HA PRO 9 -17.388 -4.194 9.499 66 HB2 PRO 9 HB2 PRO 9 -15.243 -4.672 7.804 67 HB3 PRO 9 HB1 PRO 9 -15.972 -5.880 8.880 68 HG2 PRO 9 HG2 PRO 9 -16.374 -5.456 5.970 69 HG3 PRO 9 HG1 PRO 9 -16.283 -6.968 6.894 70 HD2 PRO 9 HD2 PRO 9 -18.626 -5.972 6.045 71 HD3 PRO 9 HD1 PRO 9 -18.475 -6.838 7.587 72 H ARG 10 HN ARG 10 -16.387 -2.276 9.808 73 HA ARG 10 HA ARG 10 -16.593 -0.331 7.632 74 HB2 ARG 10 HB2 ARG 10 -15.858 0.272 10.490 75 HB3 ARG 10 HB1 ARG 10 -16.524 1.363 9.284 76 HG2 ARG 10 HG2 ARG 10 -17.992 -0.953 10.529 77 HG3 ARG 10 HG1 ARG 10 -18.158 0.737 11.000 78 HD2 ARG 10 HD2 ARG 10 -18.764 -0.376 8.262 79 HD3 ARG 10 HD1 ARG 10 -19.964 -0.026 9.505 80 HE ARG 10 HE ARG 10 -18.225 2.111 8.471 81 HH11 ARG 10 HH11 ARG 10 -21.418 0.761 8.951 82 HH12 ARG 10 HH12 ARG 10 -22.237 2.222 8.511 83 HH21 ARG 10 HH21 ARG 10 -19.294 4.029 7.878 84 HH22 ARG 10 HH22 ARG 10 -21.032 4.079 7.887 85 H LYS 11 HN LYS 11 -14.422 -2.467 8.205 86 HA LYS 11 HA LYS 11 -12.132 -0.636 7.959 87 HB2 LYS 11 HB2 LYS 11 -12.214 -3.393 9.193 88 HB3 LYS 11 HB1 LYS 11 -10.736 -2.490 8.887 89 HG2 LYS 11 HG2 LYS 11 -12.967 -1.724 10.755 90 HG3 LYS 11 HG1 LYS 11 -11.344 -2.256 11.194 91 HD2 LYS 11 HD2 LYS 11 -10.397 -0.271 10.140 92 HD3 LYS 11 HD1 LYS 11 -12.010 0.255 9.658 93 HE2 LYS 11 HE2 LYS 11 -12.660 0.438 11.998 94 HE3 LYS 11 HE1 LYS 11 -11.066 -0.123 12.496 95 HZ1 LYS 11 HZ1 LYS 11 -11.451 2.356 12.513 96 HZ2 LYS 11 HZ2 LYS 11 -11.419 2.297 10.825 97 HZ3 LYS 11 HZ3 LYS 11 -10.056 1.822 11.715 98 H LEU 12 HN LEU 12 -10.992 -0.753 6.164 99 HA LEU 12 HA LEU 12 -11.850 -2.099 3.909 100 HB2 LEU 12 HB2 LEU 12 -10.435 -0.096 3.898 101 HB3 LEU 12 HB1 LEU 12 -9.078 -1.054 4.458 102 HG LEU 12 HG LEU 12 -9.143 -2.363 2.372 103 HD11 LEU 12 HD11 LEU 12 -10.516 -1.492 0.490 104 HD12 LEU 12 HD12 LEU 12 -11.366 -0.464 1.643 105 HD13 LEU 12 HD13 LEU 12 -11.463 -2.219 1.789 106 HD21 LEU 12 HD21 LEU 12 -9.068 0.580 1.756 107 HD22 LEU 12 HD22 LEU 12 -8.147 -0.720 0.995 108 HD23 LEU 12 HD23 LEU 12 -7.800 -0.250 2.660 109 HA PRO 13 HA PRO 13 -8.151 -5.309 4.511 110 HB2 PRO 13 HB2 PRO 13 -7.873 -5.915 7.230 111 HB3 PRO 13 HB1 PRO 13 -6.737 -4.956 6.262 112 HG2 PRO 13 HG2 PRO 13 -8.883 -4.046 8.100 113 HG3 PRO 13 HG1 PRO 13 -7.269 -3.364 7.813 114 HD2 PRO 13 HD2 PRO 13 -9.443 -2.214 6.782 115 HD3 PRO 13 HD1 PRO 13 -7.924 -2.293 5.864 116 H GLN 14 HN GLN 14 -10.862 -5.086 6.776 117 HA GLN 14 HA GLN 14 -11.307 -7.941 6.725 118 HB2 GLN 14 HB2 GLN 14 -13.039 -5.762 7.892 119 HB3 GLN 14 HB1 GLN 14 -13.180 -7.484 8.209 120 HG2 GLN 14 HG2 GLN 14 -10.869 -5.712 8.973 121 HG3 GLN 14 HG1 GLN 14 -12.108 -6.336 10.055 122 HE21 GLN 14 HE21 GLN 14 -12.141 -8.974 8.765 123 HE22 GLN 14 HE22 GLN 14 -10.689 -9.758 9.280 124 H LEU 15 HN LEU 15 -12.563 -5.089 5.157 125 HA LEU 15 HA LEU 15 -14.947 -6.191 4.137 126 HB2 LEU 15 HB2 LEU 15 -14.496 -3.775 4.200 127 HB3 LEU 15 HB1 LEU 15 -13.233 -3.982 2.998 128 HG LEU 15 HG LEU 15 -15.007 -4.847 1.430 129 HD11 LEU 15 HD11 LEU 15 -16.831 -3.772 3.573 130 HD12 LEU 15 HD12 LEU 15 -16.700 -5.451 3.042 131 HD13 LEU 15 HD13 LEU 15 -17.328 -4.224 1.941 132 HD21 LEU 15 HD21 LEU 15 -15.493 -2.035 2.371 133 HD22 LEU 15 HD22 LEU 15 -15.678 -2.685 0.741 134 HD23 LEU 15 HD23 LEU 15 -14.072 -2.519 1.449 135 H CYS 16 HN CYS 16 -11.634 -6.234 3.022 136 HA CYS 16 HA CYS 16 -11.993 -7.095 0.400 137 HB2 CYS 16 HB2 CYS 16 -9.763 -7.895 2.281 138 HB3 CYS 16 HB1 CYS 16 -9.705 -7.918 0.522 139 HG CYS 16 HG CYS 16 -10.171 -5.030 2.291 140 H THR 17 HN THR 17 -12.038 -8.903 3.420 141 HA THR 17 HA THR 17 -12.034 -11.491 2.279 142 HB THR 17 HB THR 17 -13.472 -11.073 4.837 143 HG1 THR 17 HG1 THR 17 -10.878 -10.954 5.418 144 HG21 THR 17 HG21 THR 17 -12.065 -12.949 5.532 145 HG22 THR 17 HG22 THR 17 -11.179 -12.857 4.009 146 HG23 THR 17 HG23 THR 17 -12.884 -13.308 4.012 147 H GLU 18 HN GLU 18 -14.565 -9.170 3.000 148 HA GLU 18 HA GLU 18 -16.770 -10.923 2.678 149 HB2 GLU 18 HB2 GLU 18 -16.477 -7.925 2.517 150 HB3 GLU 18 HB1 GLU 18 -18.018 -8.720 2.230 151 HG2 GLU 18 HG2 GLU 18 -16.408 -9.009 4.753 152 HG3 GLU 18 HG1 GLU 18 -17.721 -7.852 4.534 153 H LEU 19 HN LEU 19 -15.024 -8.780 0.484 154 HA LEU 19 HA LEU 19 -16.722 -9.438 -1.757 155 HB2 LEU 19 HB2 LEU 19 -14.408 -7.651 -1.274 156 HB3 LEU 19 HB1 LEU 19 -14.644 -8.210 -2.918 157 HG LEU 19 HG LEU 19 -16.989 -7.307 -2.795 158 HD11 LEU 19 HD11 LEU 19 -17.471 -5.642 -1.073 159 HD12 LEU 19 HD12 LEU 19 -15.952 -6.034 -0.266 160 HD13 LEU 19 HD13 LEU 19 -17.231 -7.245 -0.375 161 HD21 LEU 19 HD21 LEU 19 -16.320 -5.032 -3.218 162 HD22 LEU 19 HD22 LEU 19 -15.109 -6.132 -3.886 163 HD23 LEU 19 HD23 LEU 19 -14.795 -5.286 -2.369 164 H GLN 20 HN GLN 20 -14.290 -11.063 -0.219 165 HA GLN 20 HA GLN 20 -12.967 -12.843 -0.719 166 HB2 GLN 20 HB2 GLN 20 -14.778 -13.028 -3.140 167 HB3 GLN 20 HB1 GLN 20 -13.651 -14.277 -2.626 168 HG2 GLN 20 HG2 GLN 20 -15.839 -13.259 -0.844 169 HG3 GLN 20 HG1 GLN 20 -16.090 -14.571 -1.993 170 HE21 GLN 20 HE21 GLN 20 -15.110 -16.549 -1.641 171 HE22 GLN 20 HE22 GLN 20 -14.404 -16.972 -0.121 172 H THR 21 HN THR 21 -11.752 -10.555 -1.219 173 HA THR 21 HA THR 21 -10.045 -11.191 -3.469 174 HB THR 21 HB THR 21 -11.840 -9.750 -4.443 175 HG1 THR 21 HG1 THR 21 -10.200 -9.272 -5.694 176 HG21 THR 21 HG21 THR 21 -12.300 -8.386 -2.454 177 HG22 THR 21 HG22 THR 21 -11.932 -7.384 -3.858 178 HG23 THR 21 HG23 THR 21 -10.713 -7.634 -2.608 179 H THR 22 HN THR 22 -8.311 -9.241 -3.563 180 HA THR 22 HA THR 22 -7.403 -8.918 -0.784 181 HB THR 22 HB THR 22 -5.140 -8.607 -1.746 182 HG1 THR 22 HG1 THR 22 -5.230 -9.532 -4.121 183 HG21 THR 22 HG21 THR 22 -6.549 -11.152 -2.565 184 HG22 THR 22 HG22 THR 22 -5.781 -10.827 -1.010 185 HG23 THR 22 HG23 THR 22 -4.799 -10.952 -2.469 186 H ILE 23 HN ILE 23 -5.832 -6.936 -0.639 187 HA ILE 23 HA ILE 23 -7.410 -4.606 -1.109 188 HB ILE 23 HB ILE 23 -4.524 -4.660 -0.212 189 HG12 ILE 23 HG12 ILE 23 -6.978 -4.889 1.544 190 HG13 ILE 23 HG11 ILE 23 -5.959 -6.254 1.099 191 HG21 ILE 23 HG21 ILE 23 -5.125 -2.613 0.975 192 HG22 ILE 23 HG22 ILE 23 -6.777 -2.740 0.372 193 HG23 ILE 23 HG23 ILE 23 -5.450 -2.457 -0.751 194 HD11 ILE 23 HD11 ILE 23 -5.437 -5.413 3.326 195 HD12 ILE 23 HD12 ILE 23 -5.065 -3.831 2.642 196 HD13 ILE 23 HD13 ILE 23 -4.068 -5.227 2.229 197 H HIS 24 HN HIS 24 -5.292 -6.332 -3.033 198 HA HIS 24 HA HIS 24 -4.412 -3.995 -4.567 199 HB2 HIS 24 HB2 HIS 24 -3.639 -6.800 -5.285 200 HB3 HIS 24 HB1 HIS 24 -2.729 -5.307 -5.487 201 HD1 HIS 24 HD1 HIS 24 -1.259 -4.544 -3.483 202 HD2 HIS 24 HD2 HIS 24 -3.424 -8.028 -2.798 203 HE1 HIS 24 HE1 HIS 24 -0.337 -5.555 -1.355 204 H ASP 25 HN ASP 25 -6.992 -6.037 -4.468 205 HA ASP 25 HA ASP 25 -7.486 -5.682 -7.344 206 HB2 ASP 25 HB2 ASP 25 -6.823 -8.062 -6.633 207 HB3 ASP 25 HB1 ASP 25 -8.402 -8.133 -5.858 208 H ILE 26 HN ILE 26 -8.496 -4.936 -4.303 209 HA ILE 26 HA ILE 26 -11.316 -5.294 -4.648 210 HB ILE 26 HB ILE 26 -10.457 -5.307 -2.399 211 HG12 ILE 26 HG12 ILE 26 -12.019 -2.745 -2.688 212 HG13 ILE 26 HG11 ILE 26 -12.745 -4.329 -2.935 213 HG21 ILE 26 HG21 ILE 26 -8.526 -3.848 -2.719 214 HG22 ILE 26 HG22 ILE 26 -9.487 -3.355 -1.326 215 HG23 ILE 26 HG23 ILE 26 -9.597 -2.453 -2.837 216 HD11 ILE 26 HD11 ILE 26 -13.161 -3.457 -0.694 217 HD12 ILE 26 HD12 ILE 26 -11.424 -3.396 -0.398 218 HD13 ILE 26 HD13 ILE 26 -12.222 -4.948 -0.653 219 H ILE 27 HN ILE 27 -12.426 -4.197 -6.070 220 HA ILE 27 HA ILE 27 -11.592 -1.535 -6.881 221 HB ILE 27 HB ILE 27 -13.970 -3.089 -7.904 222 HG12 ILE 27 HG12 ILE 27 -11.955 -4.445 -8.212 223 HG13 ILE 27 HG11 ILE 27 -12.534 -3.834 -9.758 224 HG21 ILE 27 HG21 ILE 27 -13.994 -0.714 -8.423 225 HG22 ILE 27 HG22 ILE 27 -13.722 -1.668 -9.880 226 HG23 ILE 27 HG23 ILE 27 -12.374 -0.833 -9.109 227 HD11 ILE 27 HD11 ILE 27 -10.814 -2.057 -9.643 228 HD12 ILE 27 HD12 ILE 27 -10.147 -3.690 -9.689 229 HD13 ILE 27 HD13 ILE 27 -10.198 -2.801 -8.165 230 H LEU 28 HN LEU 28 -12.084 -0.280 -5.090 231 HA LEU 28 HA LEU 28 -14.893 -0.197 -4.252 232 HB2 LEU 28 HB2 LEU 28 -12.613 -0.252 -2.745 233 HB3 LEU 28 HB1 LEU 28 -12.937 1.468 -2.815 234 HG LEU 28 HG LEU 28 -15.083 1.187 -1.774 235 HD11 LEU 28 HD11 LEU 28 -15.933 -0.797 -2.732 236 HD12 LEU 28 HD12 LEU 28 -15.762 -1.135 -1.010 237 HD13 LEU 28 HD13 LEU 28 -14.569 -1.753 -2.152 238 HD21 LEU 28 HD21 LEU 28 -13.361 -0.666 -0.187 239 HD22 LEU 28 HD22 LEU 28 -14.385 0.661 0.361 240 HD23 LEU 28 HD23 LEU 28 -12.850 1.001 -0.440 241 H GLU 29 HN GLU 29 -16.077 1.699 -4.337 242 HA GLU 29 HA GLU 29 -14.944 3.751 -6.102 243 HB2 GLU 29 HB2 GLU 29 -17.589 4.290 -6.150 244 HB3 GLU 29 HB1 GLU 29 -16.793 3.203 -7.278 245 HG2 GLU 29 HG2 GLU 29 -17.364 1.339 -5.648 246 HG3 GLU 29 HG1 GLU 29 -18.421 2.508 -4.856 247 H CYS 30 HN CYS 30 -15.448 5.959 -5.716 248 HA CYS 30 HA CYS 30 -15.181 6.710 -2.993 249 HB2 CYS 30 HB2 CYS 30 -14.137 8.073 -4.669 250 HB3 CYS 30 HB1 CYS 30 -15.670 8.327 -5.495 251 H VAL 31 HN VAL 31 -16.581 7.716 -1.632 252 HA VAL 31 HA VAL 31 -19.297 6.990 -1.782 253 HB VAL 31 HB VAL 31 -18.213 7.233 0.357 254 HG11 VAL 31 HG11 VAL 31 -17.586 9.438 1.261 255 HG12 VAL 31 HG12 VAL 31 -17.929 10.156 -0.314 256 HG13 VAL 31 HG13 VAL 31 -16.625 8.980 -0.147 257 HG21 VAL 31 HG21 VAL 31 -20.603 7.573 0.361 258 HG22 VAL 31 HG22 VAL 31 -20.391 9.286 -0.010 259 HG23 VAL 31 HG23 VAL 31 -19.852 8.646 1.544 260 H TYR 32 HN TYR 32 -17.621 9.978 -2.629 261 HA TYR 32 HA TYR 32 -20.231 11.192 -3.231 262 HB2 TYR 32 HB2 TYR 32 -17.545 12.402 -2.649 263 HB3 TYR 32 HB1 TYR 32 -18.820 13.332 -3.430 264 HD1 TYR 32 HD2 TYR 32 -21.193 13.040 -2.160 265 HD2 TYR 32 HD1 TYR 32 -17.356 12.665 -0.371 266 HE1 TYR 32 HE2 TYR 32 -22.173 13.558 0.035 267 HE2 TYR 32 HE1 TYR 32 -18.326 13.180 1.826 268 HH TYR 32 HH TYR 32 -21.609 13.119 2.456 269 H CYS 33 HN CYS 33 -16.982 10.794 -4.655 270 HA CYS 33 HA CYS 33 -17.829 11.827 -7.194 271 HB2 CYS 33 HB2 CYS 33 -15.392 10.120 -6.809 272 HB3 CYS 33 HB1 CYS 33 -15.625 11.481 -7.902 273 H LYS 34 HN LYS 34 -17.755 8.736 -5.665 274 HA LYS 34 HA LYS 34 -18.461 6.674 -6.247 275 HB2 LYS 34 HB2 LYS 34 -19.905 8.311 -8.317 276 HB3 LYS 34 HB1 LYS 34 -20.048 6.559 -8.271 277 HG2 LYS 34 HG2 LYS 34 -20.850 6.718 -5.941 278 HG3 LYS 34 HG1 LYS 34 -20.788 8.477 -6.070 279 HD2 LYS 34 HD2 LYS 34 -22.510 8.534 -7.649 280 HD3 LYS 34 HD1 LYS 34 -22.345 6.820 -8.021 281 HE2 LYS 34 HE2 LYS 34 -24.344 7.167 -6.718 282 HE3 LYS 34 HE1 LYS 34 -23.163 6.277 -5.758 283 HZ1 LYS 34 HZ1 LYS 34 -22.573 8.367 -4.660 284 HZ2 LYS 34 HZ2 LYS 34 -24.207 7.994 -4.449 285 HZ3 LYS 34 HZ3 LYS 34 -23.750 9.182 -5.559 286 H GLN 35 HN GLN 35 -16.011 7.937 -7.423 287 HA GLN 35 HA GLN 35 -15.680 6.469 -9.912 288 HB2 GLN 35 HB2 GLN 35 -13.559 7.615 -10.112 289 HB3 GLN 35 HB1 GLN 35 -14.807 8.786 -9.714 290 HG2 GLN 35 HG2 GLN 35 -14.068 8.873 -7.429 291 HG3 GLN 35 HG1 GLN 35 -12.913 7.575 -7.713 292 HE21 GLN 35 HE21 GLN 35 -12.108 8.580 -10.312 293 HE22 GLN 35 HE22 GLN 35 -11.132 9.972 -10.015 294 H GLN 36 HN GLN 36 -14.055 4.903 -10.210 295 HA GLN 36 HA GLN 36 -13.683 3.170 -7.976 296 HB2 GLN 36 HB2 GLN 36 -12.555 3.084 -10.777 297 HB3 GLN 36 HB1 GLN 36 -12.355 1.803 -9.591 298 HG2 GLN 36 HG2 GLN 36 -14.695 1.367 -9.555 299 HG3 GLN 36 HG1 GLN 36 -15.031 2.793 -10.534 300 HE21 GLN 36 HE21 GLN 36 -12.875 2.384 -12.391 301 HE22 GLN 36 HE22 GLN 36 -13.316 1.030 -13.374 302 H LEU 37 HN LEU 37 -12.162 3.272 -6.509 303 HA LEU 37 HA LEU 37 -10.034 5.168 -6.671 304 HB2 LEU 37 HB2 LEU 37 -11.051 3.233 -4.677 305 HB3 LEU 37 HB1 LEU 37 -9.352 3.643 -4.552 306 HG LEU 37 HG LEU 37 -10.139 6.097 -4.567 307 HD11 LEU 37 HD11 LEU 37 -12.408 6.393 -3.605 308 HD12 LEU 37 HD12 LEU 37 -12.721 4.688 -3.922 309 HD13 LEU 37 HD13 LEU 37 -12.413 5.789 -5.263 310 HD21 LEU 37 HD21 LEU 37 -10.514 6.038 -2.150 311 HD22 LEU 37 HD22 LEU 37 -9.182 4.988 -2.631 312 HD23 LEU 37 HD23 LEU 37 -10.751 4.291 -2.232 313 H LEU 38 HN LEU 38 -7.928 4.874 -7.131 314 HA LEU 38 HA LEU 38 -7.153 2.456 -8.465 315 HB2 LEU 38 HB2 LEU 38 -5.390 4.782 -7.696 316 HB3 LEU 38 HB1 LEU 38 -5.070 3.570 -8.920 317 HG LEU 38 HG LEU 38 -7.366 5.514 -9.120 318 HD11 LEU 38 HD11 LEU 38 -5.918 6.758 -10.703 319 HD12 LEU 38 HD12 LEU 38 -4.557 5.758 -10.191 320 HD13 LEU 38 HD13 LEU 38 -5.355 6.823 -9.033 321 HD21 LEU 38 HD21 LEU 38 -5.981 3.716 -11.110 322 HD22 LEU 38 HD22 LEU 38 -7.199 4.920 -11.528 323 HD23 LEU 38 HD23 LEU 38 -7.628 3.554 -10.499 324 H ARG 39 HN ARG 39 -5.229 1.245 -7.882 325 HA ARG 39 HA ARG 39 -5.364 0.232 -5.288 326 HB2 ARG 39 HB2 ARG 39 -3.355 -1.064 -5.880 327 HB3 ARG 39 HB1 ARG 39 -4.581 -1.113 -7.136 328 HG2 ARG 39 HG2 ARG 39 -3.295 0.752 -8.265 329 HG3 ARG 39 HG1 ARG 39 -1.994 0.401 -7.127 330 HD2 ARG 39 HD2 ARG 39 -3.169 -1.863 -8.661 331 HD3 ARG 39 HD1 ARG 39 -2.117 -0.735 -9.513 332 HE ARG 39 HE ARG 39 -0.982 -1.695 -7.056 333 HH11 ARG 39 HH11 ARG 39 -1.450 -2.455 -10.454 334 HH12 ARG 39 HH12 ARG 39 -0.043 -3.468 -10.547 335 HH21 ARG 39 HH21 ARG 39 0.883 -3.015 -7.195 336 HH22 ARG 39 HH22 ARG 39 1.290 -3.786 -8.700 337 H ARG 40 HN ARG 40 -3.697 3.002 -6.422 338 HA ARG 40 HA ARG 40 -1.596 3.041 -4.480 339 HB2 ARG 40 HB2 ARG 40 -1.352 4.299 -6.538 340 HB3 ARG 40 HB1 ARG 40 -2.805 5.223 -6.192 341 HG2 ARG 40 HG2 ARG 40 -1.524 5.992 -4.077 342 HG3 ARG 40 HG1 ARG 40 -0.097 5.426 -4.947 343 HD2 ARG 40 HD2 ARG 40 -0.381 7.772 -5.374 344 HD3 ARG 40 HD1 ARG 40 -0.751 6.880 -6.848 345 HE ARG 40 HE ARG 40 -3.189 7.125 -5.949 346 HH11 ARG 40 HH11 ARG 40 -0.633 9.533 -5.847 347 HH12 ARG 40 HH12 ARG 40 -1.731 10.874 -5.807 348 HH21 ARG 40 HH21 ARG 40 -4.631 8.898 -5.931 349 HH22 ARG 40 HH22 ARG 40 -3.995 10.521 -5.862 350 H GLU 41 HN GLU 41 -4.691 4.789 -4.785 351 HA GLU 41 HA GLU 41 -4.521 6.036 -2.242 352 HB2 GLU 41 HB2 GLU 41 -7.226 5.974 -2.850 353 HB3 GLU 41 HB1 GLU 41 -6.099 7.250 -3.276 354 HG2 GLU 41 HG2 GLU 41 -6.447 4.883 -5.069 355 HG3 GLU 41 HG1 GLU 41 -7.606 6.211 -5.103 356 H VAL 42 HN VAL 42 -5.874 2.999 -3.357 357 HA VAL 42 HA VAL 42 -7.391 2.382 -1.071 358 HB VAL 42 HB VAL 42 -6.006 0.467 -2.965 359 HG11 VAL 42 HG11 VAL 42 -6.638 -0.588 -0.844 360 HG12 VAL 42 HG12 VAL 42 -7.607 -1.187 -2.190 361 HG13 VAL 42 HG13 VAL 42 -8.294 -0.020 -1.059 362 HG21 VAL 42 HG21 VAL 42 -8.198 0.325 -4.059 363 HG22 VAL 42 HG22 VAL 42 -7.541 1.962 -4.115 364 HG23 VAL 42 HG23 VAL 42 -8.816 1.561 -2.964 365 H TYR 43 HN TYR 43 -3.977 1.908 -1.839 366 HA TYR 43 HA TYR 43 -3.286 0.309 0.376 367 HB2 TYR 43 HB2 TYR 43 -1.686 2.229 -1.309 368 HB3 TYR 43 HB1 TYR 43 -0.962 1.316 0.008 369 HD1 TYR 43 HD2 TYR 43 -3.144 -1.031 -0.928 370 HD2 TYR 43 HD1 TYR 43 0.142 1.074 -2.628 371 HE1 TYR 43 HE2 TYR 43 -2.757 -2.896 -2.478 372 HE2 TYR 43 HE1 TYR 43 0.535 -0.784 -4.180 373 HH TYR 43 HH TYR 43 0.080 -3.138 -4.407 374 H ASP 44 HN ASP 44 -3.348 3.813 -0.083 375 HA ASP 44 HA ASP 44 -2.278 4.508 2.430 376 HB2 ASP 44 HB2 ASP 44 -3.297 5.886 0.163 377 HB3 ASP 44 HB1 ASP 44 -4.161 6.489 1.575 378 H PHE 45 HN PHE 45 -5.522 3.799 1.324 379 HA PHE 45 HA PHE 45 -6.887 4.602 3.679 380 HB2 PHE 45 HB2 PHE 45 -7.812 4.127 1.289 381 HB3 PHE 45 HB1 PHE 45 -7.900 2.456 1.833 382 HD1 PHE 45 HD1 PHE 45 -9.389 1.859 3.731 383 HD2 PHE 45 HD2 PHE 45 -9.390 5.745 1.993 384 HE1 PHE 45 HE1 PHE 45 -11.572 2.320 4.768 385 HE2 PHE 45 HE2 PHE 45 -11.571 6.213 3.031 386 HZ PHE 45 HZ PHE 45 -12.665 4.501 4.423 387 H ALA 46 HN ALA 46 -5.340 1.632 2.654 388 HA ALA 46 HA ALA 46 -6.390 0.063 4.834 389 HB1 ALA 46 HB1 ALA 46 -5.849 -0.981 2.690 390 HB2 ALA 46 HB2 ALA 46 -4.916 -1.699 4.004 391 HB3 ALA 46 HB3 ALA 46 -4.152 -0.552 2.904 392 H PHE 47 HN PHE 47 -3.482 1.889 4.155 393 HA PHE 47 HA PHE 47 -1.970 0.873 6.351 394 HB2 PHE 47 HB2 PHE 47 -1.069 2.015 4.254 395 HB3 PHE 47 HB1 PHE 47 -1.548 3.536 5.000 396 HD1 PHE 47 HD2 PHE 47 -0.375 4.395 6.935 397 HD2 PHE 47 HD1 PHE 47 0.787 0.738 5.100 398 HE1 PHE 47 HE2 PHE 47 1.763 4.473 8.152 399 HE2 PHE 47 HE1 PHE 47 2.929 0.804 6.309 400 HZ PHE 47 HZ PHE 47 3.421 2.673 7.839 401 H ARG 48 HN ARG 48 -3.697 3.950 5.816 402 HA ARG 48 HA ARG 48 -3.359 4.707 8.585 403 HB2 ARG 48 HB2 ARG 48 -5.068 6.010 6.456 404 HB3 ARG 48 HB1 ARG 48 -4.610 6.714 8.000 405 HG2 ARG 48 HG2 ARG 48 -2.289 6.775 7.322 406 HG3 ARG 48 HG1 ARG 48 -2.695 5.979 5.799 407 HD2 ARG 48 HD2 ARG 48 -4.334 7.968 5.496 408 HD3 ARG 48 HD1 ARG 48 -3.332 8.753 6.714 409 HE ARG 48 HE ARG 48 -2.206 7.679 4.201 410 HH11 ARG 48 HH11 ARG 48 -2.543 10.268 6.549 411 HH12 ARG 48 HH12 ARG 48 -1.410 11.304 5.745 412 HH21 ARG 48 HH21 ARG 48 -0.731 9.032 3.153 413 HH22 ARG 48 HH22 ARG 48 -0.359 10.597 3.813 414 H ASP 49 HN ASP 49 -4.861 4.508 10.192 415 HA ASP 49 HA ASP 49 -7.025 2.691 9.725 416 HB2 ASP 49 HB2 ASP 49 -5.830 2.630 11.853 417 HB3 ASP 49 HB1 ASP 49 -6.330 4.283 12.198 418 H LEU 50 HN LEU 50 -8.537 3.528 8.425 419 HA LEU 50 HA LEU 50 -9.870 5.994 9.320 420 HB2 LEU 50 HB2 LEU 50 -9.626 4.822 6.547 421 HB3 LEU 50 HB1 LEU 50 -10.656 6.184 6.948 422 HG LEU 50 HG LEU 50 -7.679 6.232 7.420 423 HD11 LEU 50 HD11 LEU 50 -9.159 7.210 4.984 424 HD12 LEU 50 HD12 LEU 50 -8.097 5.803 5.042 425 HD13 LEU 50 HD13 LEU 50 -7.437 7.415 5.319 426 HD21 LEU 50 HD21 LEU 50 -9.735 8.418 7.123 427 HD22 LEU 50 HD22 LEU 50 -8.011 8.648 7.407 428 HD23 LEU 50 HD23 LEU 50 -9.012 7.879 8.638 429 H CYS 51 HN CYS 51 -12.224 5.883 8.115 430 HA CYS 51 HA CYS 51 -13.372 3.296 8.906 431 HB2 CYS 51 HB2 CYS 51 -15.463 4.865 9.342 432 HB3 CYS 51 HB1 CYS 51 -14.238 4.619 10.579 433 HG CYS 51 HG CYS 51 -15.094 7.328 10.467 434 H ILE 52 HN ILE 52 -14.721 2.357 7.485 435 HA ILE 52 HA ILE 52 -14.950 3.531 4.872 436 HB ILE 52 HB ILE 52 -16.121 0.963 5.952 437 HG12 ILE 52 HG12 ILE 52 -13.647 1.483 4.288 438 HG13 ILE 52 HG11 ILE 52 -13.678 0.943 5.964 439 HG21 ILE 52 HG21 ILE 52 -17.359 1.825 4.027 440 HG22 ILE 52 HG22 ILE 52 -16.477 0.356 3.613 441 HG23 ILE 52 HG23 ILE 52 -15.861 1.927 3.105 442 HD11 ILE 52 HD11 ILE 52 -14.929 -1.092 5.142 443 HD12 ILE 52 HD12 ILE 52 -13.234 -0.960 4.677 444 HD13 ILE 52 HD13 ILE 52 -14.499 -0.574 3.511 445 H VAL 53 HN VAL 53 -16.582 4.684 4.125 446 HA VAL 53 HA VAL 53 -18.925 5.061 5.812 447 HB VAL 53 HB VAL 53 -19.467 6.794 3.946 448 HG11 VAL 53 HG11 VAL 53 -18.867 7.440 6.193 449 HG12 VAL 53 HG12 VAL 53 -17.986 8.457 5.051 450 HG13 VAL 53 HG13 VAL 53 -17.160 7.127 5.866 451 HG21 VAL 53 HG21 VAL 53 -17.788 5.960 2.356 452 HG22 VAL 53 HG22 VAL 53 -16.511 6.419 3.481 453 HG23 VAL 53 HG23 VAL 53 -17.538 7.658 2.759 454 H TYR 54 HN TYR 54 -20.708 3.913 5.448 455 HA TYR 54 HA TYR 54 -21.002 2.543 2.889 456 HB2 TYR 54 HB2 TYR 54 -22.191 2.207 5.611 457 HB3 TYR 54 HB1 TYR 54 -23.039 1.555 4.212 458 HD1 TYR 54 HD2 TYR 54 -19.624 1.550 5.751 459 HD2 TYR 54 HD1 TYR 54 -22.552 -0.600 3.534 460 HE1 TYR 54 HE2 TYR 54 -18.192 -0.447 5.808 461 HE2 TYR 54 HE1 TYR 54 -21.125 -2.601 3.581 462 HH TYR 54 HH TYR 54 -18.145 -2.683 5.457 463 H ARG 55 HN ARG 55 -21.969 3.686 1.379 464 HA ARG 55 HA ARG 55 -23.917 5.722 2.025 465 HB2 ARG 55 HB2 ARG 55 -22.071 5.422 -0.005 466 HB3 ARG 55 HB1 ARG 55 -23.583 5.016 -0.808 467 HG2 ARG 55 HG2 ARG 55 -23.345 7.509 0.836 468 HG3 ARG 55 HG1 ARG 55 -22.759 7.454 -0.826 469 HD2 ARG 55 HD2 ARG 55 -24.893 8.191 -1.186 470 HD3 ARG 55 HD1 ARG 55 -25.146 6.451 -1.286 471 HE ARG 55 HE ARG 55 -25.508 7.520 1.359 472 HH11 ARG 55 HH11 ARG 55 -27.056 6.862 -1.717 473 HH12 ARG 55 HH12 ARG 55 -28.661 6.851 -1.055 474 HH21 ARG 55 HH21 ARG 55 -27.623 7.493 2.232 475 HH22 ARG 55 HH22 ARG 55 -28.982 7.217 1.187 476 H ASP 56 HN ASP 56 -25.813 4.957 2.627 477 HA ASP 56 HA ASP 56 -27.904 4.073 2.450 478 HB2 ASP 56 HB2 ASP 56 -28.012 4.492 0.090 479 HB3 ASP 56 HB1 ASP 56 -26.942 3.139 -0.259 480 H GLY 57 HN GLY 57 -25.353 1.899 1.328 481 HA2 GLY 57 HA2 GLY 57 -25.554 0.133 3.487 482 HA3 GLY 57 HA1 GLY 57 -26.550 -0.501 2.184 483 H ASN 58 HN ASN 58 -24.502 0.966 0.364 484 HA ASN 58 HA ASN 58 -22.793 -1.358 0.054 485 HB2 ASN 58 HB2 ASN 58 -23.401 1.057 -1.622 486 HB3 ASN 58 HB1 ASN 58 -21.990 0.064 -1.976 487 HD21 ASN 58 HD21 ASN 58 -24.750 0.597 -3.212 488 HD22 ASN 58 HD22 ASN 58 -25.319 -0.982 -3.620 489 HA PRO 59 HA PRO 59 -19.336 0.489 2.094 490 HB2 PRO 59 HB2 PRO 59 -17.360 -1.059 1.041 491 HB3 PRO 59 HB1 PRO 59 -18.488 -1.653 2.273 492 HG2 PRO 59 HG2 PRO 59 -18.511 -2.095 -0.667 493 HG3 PRO 59 HG1 PRO 59 -18.865 -3.230 0.650 494 HD2 PRO 59 HD2 PRO 59 -20.807 -2.009 -0.801 495 HD3 PRO 59 HD1 PRO 59 -21.018 -2.491 0.893 496 H TYR 60 HN TYR 60 -18.883 2.507 1.419 497 HA TYR 60 HA TYR 60 -17.623 2.810 -1.217 498 HB2 TYR 60 HB2 TYR 60 -19.503 4.528 0.338 499 HB3 TYR 60 HB1 TYR 60 -18.313 5.322 -0.691 500 HD1 TYR 60 HD2 TYR 60 -18.406 5.097 -3.097 501 HD2 TYR 60 HD1 TYR 60 -21.306 3.203 -0.634 502 HE1 TYR 60 HE2 TYR 60 -19.824 4.730 -5.065 503 HE2 TYR 60 HE1 TYR 60 -22.736 2.826 -2.603 504 HH TYR 60 HH TYR 60 -21.618 3.109 -5.746 505 H ALA 61 HN ALA 61 -15.796 4.119 -1.398 506 HA ALA 61 HA ALA 61 -14.350 4.445 1.141 507 HB1 ALA 61 HB1 ALA 61 -13.253 4.193 -1.657 508 HB2 ALA 61 HB2 ALA 61 -13.290 2.917 -0.440 509 HB3 ALA 61 HB3 ALA 61 -12.299 4.353 -0.182 510 H VAL 62 HN VAL 62 -12.763 6.253 1.147 511 HA VAL 62 HA VAL 62 -14.008 8.641 -0.025 512 HB VAL 62 HB VAL 62 -12.018 8.658 2.239 513 HG11 VAL 62 HG11 VAL 62 -13.090 10.813 2.748 514 HG12 VAL 62 HG12 VAL 62 -14.145 10.601 1.351 515 HG13 VAL 62 HG13 VAL 62 -12.405 10.777 1.123 516 HG21 VAL 62 HG21 VAL 62 -15.012 8.351 2.422 517 HG22 VAL 62 HG22 VAL 62 -13.984 8.837 3.771 518 HG23 VAL 62 HG23 VAL 62 -13.781 7.245 3.037 519 H CYS 63 HN CYS 63 -12.985 9.276 -1.817 520 HA CYS 63 HA CYS 63 -10.347 8.466 -2.478 521 HB2 CYS 63 HB2 CYS 63 -10.609 9.929 -4.428 522 HB3 CYS 63 HB1 CYS 63 -12.038 8.929 -4.194 523 H ASP 64 HN ASP 64 -8.687 10.147 -3.161 524 HA ASP 64 HA ASP 64 -7.839 11.583 -0.895 525 HB2 ASP 64 HB2 ASP 64 -6.237 10.778 -2.524 526 HB3 ASP 64 HB1 ASP 64 -6.962 11.765 -3.786 527 H LYS 65 HN LYS 65 -9.962 12.372 -3.448 528 HA LYS 65 HA LYS 65 -9.729 15.227 -3.271 529 HB2 LYS 65 HB2 LYS 65 -10.462 14.089 -5.329 530 HB3 LYS 65 HB1 LYS 65 -11.876 13.475 -4.488 531 HG2 LYS 65 HG2 LYS 65 -12.342 16.015 -4.053 532 HG3 LYS 65 HG1 LYS 65 -11.292 16.228 -5.456 533 HD2 LYS 65 HD2 LYS 65 -13.781 14.523 -5.356 534 HD3 LYS 65 HD1 LYS 65 -13.660 16.121 -6.094 535 HE2 LYS 65 HE2 LYS 65 -13.347 14.844 -7.953 536 HE3 LYS 65 HE1 LYS 65 -11.675 14.934 -7.409 537 HZ1 LYS 65 HZ1 LYS 65 -11.849 12.779 -6.446 538 HZ2 LYS 65 HZ2 LYS 65 -12.456 12.666 -8.018 539 HZ3 LYS 65 HZ3 LYS 65 -13.520 12.717 -6.701 540 H CYS 66 HN CYS 66 -12.294 12.904 -2.404 541 HA CYS 66 HA CYS 66 -13.812 14.797 -0.932 542 HB2 CYS 66 HB2 CYS 66 -13.917 11.775 -0.921 543 HB3 CYS 66 HB1 CYS 66 -15.142 12.841 -0.236 544 H LEU 67 HN LEU 67 -11.080 12.882 -0.146 545 HA LEU 67 HA LEU 67 -11.406 12.559 2.613 546 HB2 LEU 67 HB2 LEU 67 -9.612 11.564 1.139 547 HB3 LEU 67 HB1 LEU 67 -8.800 13.115 1.198 548 HG LEU 67 HG LEU 67 -8.848 12.805 3.764 549 HD11 LEU 67 HD11 LEU 67 -8.867 10.496 4.513 550 HD12 LEU 67 HD12 LEU 67 -9.240 9.951 2.879 551 HD13 LEU 67 HD13 LEU 67 -10.410 10.917 3.775 552 HD21 LEU 67 HD21 LEU 67 -6.770 11.504 3.672 553 HD22 LEU 67 HD22 LEU 67 -6.818 12.763 2.438 554 HD23 LEU 67 HD23 LEU 67 -7.118 11.083 1.996 555 H LYS 68 HN LYS 68 -10.495 15.318 0.710 556 HA LYS 68 HA LYS 68 -9.608 16.889 2.961 557 HB2 LYS 68 HB2 LYS 68 -10.211 17.680 0.109 558 HB3 LYS 68 HB1 LYS 68 -9.437 18.705 1.306 559 HG2 LYS 68 HG2 LYS 68 -7.451 17.596 1.177 560 HG3 LYS 68 HG1 LYS 68 -8.203 16.068 0.707 561 HD2 LYS 68 HD2 LYS 68 -8.583 16.863 -1.516 562 HD3 LYS 68 HD1 LYS 68 -8.098 18.502 -1.072 563 HE2 LYS 68 HE2 LYS 68 -6.348 17.297 -2.324 564 HE3 LYS 68 HE1 LYS 68 -5.824 17.764 -0.711 565 HZ1 LYS 68 HZ1 LYS 68 -5.209 15.469 -1.396 566 HZ2 LYS 68 HZ2 LYS 68 -6.851 15.062 -1.366 567 HZ3 LYS 68 HZ3 LYS 68 -6.073 15.553 0.054 568 H PHE 69 HN PHE 69 -12.583 16.046 1.603 569 HA PHE 69 HA PHE 69 -13.982 18.493 2.152 570 HB2 PHE 69 HB2 PHE 69 -14.801 15.750 1.265 571 HB3 PHE 69 HB1 PHE 69 -16.019 16.889 1.827 572 HD1 PHE 69 HD1 PHE 69 -13.076 16.883 -0.482 573 HD2 PHE 69 HD2 PHE 69 -17.100 18.094 0.214 574 HE1 PHE 69 HE1 PHE 69 -13.161 17.891 -2.725 575 HE2 PHE 69 HE2 PHE 69 -17.188 19.103 -2.026 576 HZ PHE 69 HZ PHE 69 -15.214 19.006 -3.496 577 H TYR 70 HN TYR 70 -13.951 15.255 3.637 578 HA TYR 70 HA TYR 70 -15.138 16.463 6.047 579 HB2 TYR 70 HB2 TYR 70 -15.458 13.766 4.790 580 HB3 TYR 70 HB1 TYR 70 -15.681 13.940 6.529 581 HD1 TYR 70 HD2 TYR 70 -16.924 15.043 3.233 582 HD2 TYR 70 HD1 TYR 70 -17.665 14.911 7.416 583 HE1 TYR 70 HE2 TYR 70 -19.226 15.804 2.841 584 HE2 TYR 70 HE1 TYR 70 -19.974 15.671 7.035 585 HH TYR 70 HH TYR 70 -21.197 17.000 5.220 586 H MET 1 HT1 MET 1 21.467 5.092 -0.828 587 HA MET 1 HA MET 1 23.094 3.468 -1.016 588 HB2 MET 1 HB2 MET 1 24.384 4.928 -2.716 589 HB3 MET 1 HB1 MET 1 25.230 5.576 -1.316 590 HG2 MET 1 HG2 MET 1 25.836 3.198 -0.731 591 HG3 MET 1 HG1 MET 1 25.206 2.739 -2.311 592 HE1 MET 1 HE1 MET 1 28.978 5.252 -1.504 593 HE2 MET 1 HE2 MET 1 28.138 4.268 -0.309 594 HE3 MET 1 HE3 MET 1 27.387 5.738 -0.924 595 H PHE 2 HN PHE 2 24.514 2.746 0.694 596 HA PHE 2 HA PHE 2 24.434 4.526 3.036 597 HB2 PHE 2 HB2 PHE 2 23.886 1.628 2.691 598 HB3 PHE 2 HB1 PHE 2 24.743 2.097 4.155 599 HD1 PHE 2 HD1 PHE 2 21.700 2.924 2.173 600 HD2 PHE 2 HD2 PHE 2 23.567 2.828 5.991 601 HE1 PHE 2 HE1 PHE 2 19.570 3.564 3.224 602 HE2 PHE 2 HE2 PHE 2 21.446 3.468 7.052 603 HZ PHE 2 HZ PHE 2 19.440 3.836 5.670 604 H GLN 3 HN GLN 3 26.186 3.846 4.702 605 HA GLN 3 HA GLN 3 28.633 2.940 3.414 606 HB2 GLN 3 HB2 GLN 3 29.815 4.959 4.550 607 HB3 GLN 3 HB1 GLN 3 29.021 5.183 2.998 608 HG2 GLN 3 HG2 GLN 3 28.196 7.000 4.046 609 HG3 GLN 3 HG1 GLN 3 26.988 5.841 4.596 610 HE21 GLN 3 HE21 GLN 3 26.913 5.282 6.741 611 HE22 GLN 3 HE22 GLN 3 27.890 6.034 7.959 612 H ASP 4 HN ASP 4 30.453 2.895 5.086 613 HA ASP 4 HA ASP 4 29.637 1.253 7.250 614 HB2 ASP 4 HB2 ASP 4 31.865 1.266 5.951 615 HB3 ASP 4 HB1 ASP 4 32.325 2.601 6.999 616 HA PRO 5 HA PRO 5 30.125 0.635 9.120 617 HB2 PRO 5 HB2 PRO 5 29.606 0.472 11.739 618 HB3 PRO 5 HB1 PRO 5 31.159 1.088 11.150 619 HG2 PRO 5 HG2 PRO 5 28.926 2.546 12.383 620 HG3 PRO 5 HG1 PRO 5 30.650 2.953 12.314 621 HD2 PRO 5 HD2 PRO 5 28.531 3.921 10.632 622 HD3 PRO 5 HD1 PRO 5 30.250 4.358 10.594 623 H GLN 6 HN GLN 6 27.658 2.001 8.175 624 HA GLN 6 HA GLN 6 25.486 0.930 9.728 625 HB2 GLN 6 HB2 GLN 6 25.581 2.167 6.971 626 HB3 GLN 6 HB1 GLN 6 24.096 1.649 7.758 627 HG2 GLN 6 HG2 GLN 6 24.169 3.342 9.314 628 HG3 GLN 6 HG1 GLN 6 25.912 3.550 9.156 629 HE21 GLN 6 HE21 GLN 6 23.694 5.484 9.004 630 HE22 GLN 6 HE22 GLN 6 23.877 6.280 7.479 631 H GLU 7 HN GLU 7 25.134 -1.184 9.798 632 HA GLU 7 HA GLU 7 26.034 -2.971 7.741 633 HB2 GLU 7 HB2 GLU 7 24.840 -3.207 10.429 634 HB3 GLU 7 HB1 GLU 7 24.491 -4.533 9.326 635 HG2 GLU 7 HG2 GLU 7 27.283 -3.545 9.798 636 HG3 GLU 7 HG1 GLU 7 26.529 -4.766 10.824 637 H ARG 8 HN ARG 8 23.141 -1.279 8.403 638 HA ARG 8 HA ARG 8 21.216 -1.023 7.235 639 HB2 ARG 8 HB2 ARG 8 22.517 -2.955 5.317 640 HB3 ARG 8 HB1 ARG 8 20.907 -2.302 5.061 641 HG2 ARG 8 HG2 ARG 8 22.028 -0.761 3.870 642 HG3 ARG 8 HG1 ARG 8 22.263 -0.016 5.451 643 HD2 ARG 8 HD2 ARG 8 24.343 -0.180 4.101 644 HD3 ARG 8 HD1 ARG 8 24.440 -1.000 5.657 645 HE ARG 8 HE ARG 8 23.658 -2.708 3.478 646 HH11 ARG 8 HH11 ARG 8 26.340 -1.396 5.297 647 HH12 ARG 8 HH12 ARG 8 27.435 -2.654 4.826 648 HH21 ARG 8 HH21 ARG 8 25.103 -4.381 2.871 649 HH22 ARG 8 HH22 ARG 8 26.737 -4.351 3.443 650 HA PRO 9 HA PRO 9 18.859 -4.283 9.102 651 HB2 PRO 9 HB2 PRO 9 16.406 -3.240 8.676 652 HB3 PRO 9 HB1 PRO 9 17.528 -2.527 9.849 653 HG2 PRO 9 HG2 PRO 9 16.888 -1.648 7.081 654 HG3 PRO 9 HG1 PRO 9 17.121 -0.680 8.551 655 HD2 PRO 9 HD2 PRO 9 19.043 -1.012 6.640 656 HD3 PRO 9 HD1 PRO 9 19.392 -0.678 8.349 657 H ARG 10 HN ARG 10 16.422 -5.212 8.304 658 HA ARG 10 HA ARG 10 16.808 -5.974 5.488 659 HB2 ARG 10 HB2 ARG 10 16.196 -7.727 7.850 660 HB3 ARG 10 HB1 ARG 10 15.770 -8.221 6.217 661 HG2 ARG 10 HG2 ARG 10 18.554 -7.491 7.115 662 HG3 ARG 10 HG1 ARG 10 17.930 -9.137 6.986 663 HD2 ARG 10 HD2 ARG 10 17.627 -8.901 4.621 664 HD3 ARG 10 HD1 ARG 10 18.023 -7.187 4.690 665 HE ARG 10 HE ARG 10 20.203 -8.568 5.711 666 HH11 ARG 10 HH11 ARG 10 18.489 -8.327 2.667 667 HH12 ARG 10 HH12 ARG 10 19.894 -8.659 1.707 668 HH21 ARG 10 HH21 ARG 10 22.068 -8.955 4.448 669 HH22 ARG 10 HH22 ARG 10 21.933 -9.005 2.718 670 H LYS 11 HN LYS 11 14.847 -4.355 7.497 671 HA LYS 11 HA LYS 11 12.465 -5.030 5.913 672 HB2 LYS 11 HB2 LYS 11 12.614 -4.332 8.849 673 HB3 LYS 11 HB1 LYS 11 11.115 -4.304 7.931 674 HG2 LYS 11 HG2 LYS 11 12.867 -6.731 8.239 675 HG3 LYS 11 HG1 LYS 11 11.461 -6.378 9.244 676 HD2 LYS 11 HD2 LYS 11 9.974 -6.623 7.444 677 HD3 LYS 11 HD1 LYS 11 11.266 -6.521 6.249 678 HE2 LYS 11 HE2 LYS 11 10.647 -8.798 6.343 679 HE3 LYS 11 HE1 LYS 11 12.166 -8.672 7.229 680 HZ1 LYS 11 HZ1 LYS 11 10.508 -10.056 8.350 681 HZ2 LYS 11 HZ2 LYS 11 9.465 -8.726 8.478 682 HZ3 LYS 11 HZ3 LYS 11 10.956 -8.724 9.292 683 H LEU 12 HN LEU 12 11.311 -3.363 5.089 684 HA LEU 12 HA LEU 12 12.560 -0.988 4.485 685 HB2 LEU 12 HB2 LEU 12 10.670 -1.947 3.256 686 HB3 LEU 12 HB1 LEU 12 9.594 -1.494 4.560 687 HG LEU 12 HG LEU 12 9.949 0.857 4.110 688 HD11 LEU 12 HD11 LEU 12 12.276 0.827 3.466 689 HD12 LEU 12 HD12 LEU 12 11.319 1.575 2.187 690 HD13 LEU 12 HD13 LEU 12 11.893 -0.083 2.005 691 HD21 LEU 12 HD21 LEU 12 8.929 1.008 1.923 692 HD22 LEU 12 HD22 LEU 12 8.251 -0.363 2.800 693 HD23 LEU 12 HD23 LEU 12 9.451 -0.631 1.537 694 HA PRO 13 HA PRO 13 9.772 1.278 7.907 695 HB2 PRO 13 HB2 PRO 13 9.657 -0.430 10.150 696 HB3 PRO 13 HB1 PRO 13 8.305 0.011 9.090 697 HG2 PRO 13 HG2 PRO 13 9.991 -2.422 9.081 698 HG3 PRO 13 HG1 PRO 13 8.271 -2.230 8.690 699 HD2 PRO 13 HD2 PRO 13 10.082 -2.576 6.765 700 HD3 PRO 13 HD1 PRO 13 8.705 -1.475 6.546 701 H GLN 14 HN GLN 14 12.305 -1.074 8.653 702 HA GLN 14 HA GLN 14 13.475 0.570 10.709 703 HB2 GLN 14 HB2 GLN 14 14.702 -1.821 9.333 704 HB3 GLN 14 HB1 GLN 14 15.174 -1.125 10.876 705 HG2 GLN 14 HG2 GLN 14 13.093 -1.825 11.874 706 HG3 GLN 14 HG1 GLN 14 12.525 -2.432 10.317 707 HE21 GLN 14 HE21 GLN 14 15.782 -2.724 11.584 708 HE22 GLN 14 HE22 GLN 14 15.769 -4.448 11.728 709 H LEU 15 HN LEU 15 13.943 0.006 7.296 710 HA LEU 15 HA LEU 15 16.527 1.169 7.081 711 HB2 LEU 15 HB2 LEU 15 15.613 -0.347 5.388 712 HB3 LEU 15 HB1 LEU 15 14.363 0.821 5.004 713 HG LEU 15 HG LEU 15 16.134 2.400 4.241 714 HD11 LEU 15 HD11 LEU 15 18.376 1.502 3.803 715 HD12 LEU 15 HD12 LEU 15 17.938 0.021 4.656 716 HD13 LEU 15 HD13 LEU 15 18.003 1.555 5.524 717 HD21 LEU 15 HD21 LEU 15 14.891 0.902 2.704 718 HD22 LEU 15 HD22 LEU 15 16.203 -0.269 2.845 719 HD23 LEU 15 HD23 LEU 15 16.506 1.316 2.134 720 H CYS 16 HN CYS 16 13.248 2.437 6.806 721 HA CYS 16 HA CYS 16 13.851 4.976 5.816 722 HB2 CYS 16 HB2 CYS 16 11.628 4.203 7.717 723 HB3 CYS 16 HB1 CYS 16 11.679 5.661 6.732 724 HG CYS 16 HG CYS 16 11.381 4.409 4.314 725 H THR 17 HN THR 17 13.817 3.757 9.141 726 HA THR 17 HA THR 17 14.261 6.239 10.403 727 HB THR 17 HB THR 17 15.465 4.227 11.972 728 HG1 THR 17 HG1 THR 17 14.622 2.540 10.902 729 HG21 THR 17 HG21 THR 17 12.685 5.401 11.995 730 HG22 THR 17 HG22 THR 17 14.100 6.025 12.844 731 HG23 THR 17 HG23 THR 17 13.398 4.476 13.316 732 H GLU 18 HN GLU 18 16.435 3.834 9.032 733 HA GLU 18 HA GLU 18 18.834 4.903 10.095 734 HB2 GLU 18 HB2 GLU 18 18.128 2.967 7.955 735 HB3 GLU 18 HB1 GLU 18 19.726 3.693 7.880 736 HG2 GLU 18 HG2 GLU 18 18.559 2.012 10.075 737 HG3 GLU 18 HG1 GLU 18 19.955 1.660 9.055 738 H LEU 19 HN LEU 19 16.894 5.651 7.300 739 HA LEU 19 HA LEU 19 18.911 7.480 6.264 740 HB2 LEU 19 HB2 LEU 19 16.343 6.362 5.242 741 HB3 LEU 19 HB1 LEU 19 16.900 7.892 4.591 742 HG LEU 19 HG LEU 19 18.535 5.355 4.569 743 HD11 LEU 19 HD11 LEU 19 16.871 6.596 2.385 744 HD12 LEU 19 HD12 LEU 19 16.557 5.062 3.197 745 HD13 LEU 19 HD13 LEU 19 17.988 5.246 2.182 746 HD21 LEU 19 HD21 LEU 19 19.864 6.593 2.889 747 HD22 LEU 19 HD22 LEU 19 19.904 7.338 4.486 748 HD23 LEU 19 HD23 LEU 19 18.888 8.026 3.220 749 H GLN 20 HN GLN 20 16.749 7.591 8.651 750 HA GLN 20 HA GLN 20 15.654 9.195 9.814 751 HB2 GLN 20 HB2 GLN 20 17.632 10.929 8.326 752 HB3 GLN 20 HB1 GLN 20 16.602 11.519 9.624 753 HG2 GLN 20 HG2 GLN 20 17.887 10.617 11.217 754 HG3 GLN 20 HG1 GLN 20 18.113 9.119 10.318 755 HE21 GLN 20 HE21 GLN 20 18.875 12.192 8.896 756 HE22 GLN 20 HE22 GLN 20 20.591 12.002 8.926 757 H THR 21 HN THR 21 14.194 8.344 7.725 758 HA THR 21 HA THR 21 12.632 10.704 7.090 759 HB THR 21 HB THR 21 14.225 10.487 5.179 760 HG1 THR 21 HG1 THR 21 12.175 9.951 3.651 761 HG21 THR 21 HG21 THR 21 13.990 8.605 3.625 762 HG22 THR 21 HG22 THR 21 12.835 7.845 4.722 763 HG23 THR 21 HG23 THR 21 14.514 8.056 5.220 764 H THR 22 HN THR 22 10.648 9.812 5.651 765 HA THR 22 HA THR 22 9.639 7.502 7.163 766 HB THR 22 HB THR 22 7.382 8.281 6.370 767 HG1 THR 22 HG1 THR 22 8.599 10.758 5.753 768 HG21 THR 22 HG21 THR 22 8.996 10.278 7.967 769 HG22 THR 22 HG22 THR 22 8.219 8.830 8.608 770 HG23 THR 22 HG23 THR 22 7.239 10.142 7.956 771 H ILE 23 HN ILE 23 7.754 6.416 5.761 772 HA ILE 23 HA ILE 23 9.104 5.212 3.516 773 HB ILE 23 HB ILE 23 6.248 4.661 4.269 774 HG12 ILE 23 HG12 ILE 23 8.690 3.533 5.661 775 HG13 ILE 23 HG11 ILE 23 7.568 4.690 6.369 776 HG21 ILE 23 HG21 ILE 23 7.113 3.567 2.286 777 HG22 ILE 23 HG22 ILE 23 6.850 2.384 3.566 778 HG23 ILE 23 HG23 ILE 23 8.482 2.939 3.204 779 HD11 ILE 23 HD11 ILE 23 7.150 2.418 7.149 780 HD12 ILE 23 HD12 ILE 23 6.879 1.898 5.486 781 HD13 ILE 23 HD13 ILE 23 5.778 3.051 6.239 782 H HIS 24 HN HIS 24 7.282 7.953 3.884 783 HA HIS 24 HA HIS 24 5.775 7.774 1.420 784 HB2 HIS 24 HB2 HIS 24 6.197 10.059 3.358 785 HB3 HIS 24 HB1 HIS 24 5.168 10.149 1.935 786 HD1 HIS 24 HD1 HIS 24 2.818 9.105 2.119 787 HD2 HIS 24 HD2 HIS 24 5.233 8.404 5.432 788 HE1 HIS 24 HE1 HIS 24 1.318 8.135 3.899 789 H ASP 25 HN ASP 25 8.884 8.791 2.426 790 HA ASP 25 HA ASP 25 9.520 9.632 -0.284 791 HB2 ASP 25 HB2 ASP 25 8.863 11.716 0.869 792 HB3 ASP 25 HB1 ASP 25 10.080 11.406 2.102 793 H ILE 26 HN ILE 26 10.761 7.748 -0.352 794 HA ILE 26 HA ILE 26 13.329 7.978 1.018 795 HB ILE 26 HB ILE 26 12.122 6.397 2.392 796 HG12 ILE 26 HG12 ILE 26 14.007 4.854 0.599 797 HG13 ILE 26 HG11 ILE 26 14.529 5.961 1.863 798 HG21 ILE 26 HG21 ILE 26 11.228 4.291 1.480 799 HG22 ILE 26 HG22 ILE 26 11.592 4.862 -0.147 800 HG23 ILE 26 HG23 ILE 26 10.401 5.709 0.837 801 HD11 ILE 26 HD11 ILE 26 12.910 3.458 2.289 802 HD12 ILE 26 HD12 ILE 26 13.488 4.552 3.547 803 HD13 ILE 26 HD13 ILE 26 14.641 3.633 2.578 804 H ILE 27 HN ILE 27 15.069 7.340 -0.208 805 HA ILE 27 HA ILE 27 14.583 6.990 -3.031 806 HB ILE 27 HB ILE 27 17.233 6.932 -1.573 807 HG12 ILE 27 HG12 ILE 27 16.061 9.040 -1.119 808 HG13 ILE 27 HG11 ILE 27 17.442 9.309 -2.177 809 HG21 ILE 27 HG21 ILE 27 18.188 7.512 -3.746 810 HG22 ILE 27 HG22 ILE 27 16.582 7.453 -4.473 811 HG23 ILE 27 HG23 ILE 27 17.309 5.984 -3.822 812 HD11 ILE 27 HD11 ILE 27 15.576 10.624 -2.919 813 HD12 ILE 27 HD12 ILE 27 14.548 9.191 -2.991 814 HD13 ILE 27 HD13 ILE 27 15.906 9.361 -4.106 815 H LEU 28 HN LEU 28 13.689 4.988 -3.342 816 HA LEU 28 HA LEU 28 15.420 2.693 -2.713 817 HB2 LEU 28 HB2 LEU 28 13.102 3.107 -1.451 818 HB3 LEU 28 HB1 LEU 28 12.476 2.313 -2.883 819 HG LEU 28 HG LEU 28 13.869 0.352 -2.422 820 HD11 LEU 28 HD11 LEU 28 14.968 0.220 -0.164 821 HD12 LEU 28 HD12 LEU 28 14.771 1.970 -0.048 822 HD13 LEU 28 HD13 LEU 28 15.765 1.274 -1.330 823 HD21 LEU 28 HD21 LEU 28 11.638 0.364 -1.537 824 HD22 LEU 28 HD22 LEU 28 12.152 1.297 -0.133 825 HD23 LEU 28 HD23 LEU 28 12.713 -0.363 -0.342 826 H GLU 29 HN GLU 29 15.843 1.351 -4.382 827 HA GLU 29 HA GLU 29 14.262 1.680 -6.843 828 HB2 GLU 29 HB2 GLU 29 17.254 1.280 -6.718 829 HB3 GLU 29 HB1 GLU 29 16.288 1.479 -8.173 830 HG2 GLU 29 HG2 GLU 29 15.714 3.758 -7.457 831 HG3 GLU 29 HG1 GLU 29 16.730 3.547 -6.030 832 H CYS 30 HN CYS 30 14.704 -0.171 -8.398 833 HA CYS 30 HA CYS 30 14.241 -2.642 -7.006 834 HB2 CYS 30 HB2 CYS 30 12.948 -2.156 -9.001 835 HB3 CYS 30 HB1 CYS 30 14.416 -2.000 -9.957 836 H VAL 31 HN VAL 31 15.482 -4.461 -7.029 837 HA VAL 31 HA VAL 31 18.312 -4.049 -7.173 838 HB VAL 31 HB VAL 31 17.491 -5.418 -5.400 839 HG11 VAL 31 HG11 VAL 31 15.411 -6.183 -6.310 840 HG12 VAL 31 HG12 VAL 31 16.362 -7.585 -5.816 841 HG13 VAL 31 HG13 VAL 31 16.246 -7.155 -7.524 842 HG21 VAL 31 HG21 VAL 31 18.888 -7.166 -7.422 843 HG22 VAL 31 HG22 VAL 31 18.761 -7.494 -5.694 844 HG23 VAL 31 HG23 VAL 31 19.659 -6.085 -6.260 845 H TYR 32 HN TYR 32 15.911 -5.442 -9.284 846 HA TYR 32 HA TYR 32 18.054 -6.511 -10.990 847 HB2 TYR 32 HB2 TYR 32 15.104 -7.169 -10.928 848 HB3 TYR 32 HB1 TYR 32 16.248 -7.825 -12.098 849 HD1 TYR 32 HD2 TYR 32 18.443 -8.861 -10.904 850 HD2 TYR 32 HD1 TYR 32 14.591 -8.504 -9.132 851 HE1 TYR 32 HE2 TYR 32 19.009 -10.658 -9.325 852 HE2 TYR 32 HE1 TYR 32 15.149 -10.298 -7.549 853 HH TYR 32 HH TYR 32 16.691 -12.203 -7.392 854 H CYS 33 HN CYS 33 14.976 -4.727 -11.244 855 HA CYS 33 HA CYS 33 15.491 -3.992 -13.968 856 HB2 CYS 33 HB2 CYS 33 13.480 -2.646 -12.183 857 HB3 CYS 33 HB1 CYS 33 13.401 -2.922 -13.921 858 H LYS 34 HN LYS 34 16.238 -2.685 -10.881 859 HA LYS 34 HA LYS 34 17.425 -0.887 -10.188 860 HB2 LYS 34 HB2 LYS 34 18.899 -1.601 -12.132 861 HB3 LYS 34 HB1 LYS 34 18.110 -0.350 -13.078 862 HG2 LYS 34 HG2 LYS 34 20.281 0.359 -12.175 863 HG3 LYS 34 HG1 LYS 34 18.945 1.361 -11.601 864 HD2 LYS 34 HD2 LYS 34 18.948 0.253 -9.472 865 HD3 LYS 34 HD1 LYS 34 20.119 -0.940 -10.043 866 HE2 LYS 34 HE2 LYS 34 21.251 0.686 -8.681 867 HE3 LYS 34 HE1 LYS 34 21.756 0.880 -10.356 868 HZ1 LYS 34 HZ1 LYS 34 19.828 2.585 -8.863 869 HZ2 LYS 34 HZ2 LYS 34 20.128 2.722 -10.527 870 HZ3 LYS 34 HZ3 LYS 34 21.366 3.023 -9.418 871 H GLN 35 HN GLN 35 14.623 -0.752 -11.357 872 HA GLN 35 HA GLN 35 14.355 2.031 -12.133 873 HB2 GLN 35 HB2 GLN 35 12.964 0.361 -13.245 874 HB3 GLN 35 HB1 GLN 35 12.323 -0.172 -11.699 875 HG2 GLN 35 HG2 GLN 35 10.631 1.149 -12.571 876 HG3 GLN 35 HG1 GLN 35 11.457 2.220 -11.444 877 HE21 GLN 35 HE21 GLN 35 12.660 1.321 -14.606 878 HE22 GLN 35 HE22 GLN 35 12.525 2.890 -15.311 879 H GLN 36 HN GLN 36 13.625 3.660 -10.803 880 HA GLN 36 HA GLN 36 13.687 3.234 -7.993 881 HB2 GLN 36 HB2 GLN 36 14.174 5.416 -9.334 882 HB3 GLN 36 HB1 GLN 36 12.434 5.664 -9.243 883 HG2 GLN 36 HG2 GLN 36 12.642 5.402 -6.748 884 HG3 GLN 36 HG1 GLN 36 14.389 5.464 -6.970 885 HE21 GLN 36 HE21 GLN 36 15.343 7.387 -7.654 886 HE22 GLN 36 HE22 GLN 36 14.526 8.904 -7.528 887 H LEU 37 HN LEU 37 12.110 2.567 -6.697 888 HA LEU 37 HA LEU 37 9.570 1.852 -7.774 889 HB2 LEU 37 HB2 LEU 37 10.897 1.652 -5.128 890 HB3 LEU 37 HB1 LEU 37 9.148 1.578 -5.151 891 HG LEU 37 HG LEU 37 9.454 -0.280 -6.921 892 HD11 LEU 37 HD11 LEU 37 11.538 -1.523 -6.747 893 HD12 LEU 37 HD12 LEU 37 12.189 -0.306 -5.648 894 HD13 LEU 37 HD13 LEU 37 11.836 0.117 -7.325 895 HD21 LEU 37 HD21 LEU 37 8.565 -0.784 -4.777 896 HD22 LEU 37 HD22 LEU 37 10.142 -0.603 -4.009 897 HD23 LEU 37 HD23 LEU 37 9.840 -1.961 -5.092 898 H LEU 38 HN LEU 38 7.615 2.777 -7.555 899 HA LEU 38 HA LEU 38 7.542 5.570 -6.802 900 HB2 LEU 38 HB2 LEU 38 5.165 3.902 -7.587 901 HB3 LEU 38 HB1 LEU 38 5.407 5.625 -7.799 902 HG LEU 38 HG LEU 38 6.923 3.502 -9.318 903 HD11 LEU 38 HD11 LEU 38 4.508 5.130 -10.092 904 HD12 LEU 38 HD12 LEU 38 4.625 3.374 -9.968 905 HD13 LEU 38 HD13 LEU 38 5.508 4.230 -11.233 906 HD21 LEU 38 HD21 LEU 38 6.735 6.492 -9.664 907 HD22 LEU 38 HD22 LEU 38 7.552 5.386 -10.768 908 HD23 LEU 38 HD23 LEU 38 8.146 5.585 -9.120 909 H ARG 39 HN ARG 39 5.768 6.338 -5.301 910 HA ARG 39 HA ARG 39 5.974 5.103 -2.806 911 HB2 ARG 39 HB2 ARG 39 5.254 7.490 -3.278 912 HB3 ARG 39 HB1 ARG 39 3.654 6.847 -3.629 913 HG2 ARG 39 HG2 ARG 39 3.592 5.881 -1.348 914 HG3 ARG 39 HG1 ARG 39 5.136 6.665 -1.014 915 HD2 ARG 39 HD2 ARG 39 2.680 8.162 -1.901 916 HD3 ARG 39 HD1 ARG 39 3.080 7.882 -0.207 917 HE ARG 39 HE ARG 39 5.332 9.017 -1.303 918 HH11 ARG 39 HH11 ARG 39 1.970 9.922 -0.906 919 HH12 ARG 39 HH12 ARG 39 2.294 11.627 -0.914 920 HH21 ARG 39 HH21 ARG 39 5.762 11.270 -1.291 921 HH22 ARG 39 HH22 ARG 39 4.448 12.390 -1.125 922 H ARG 40 HN ARG 40 3.676 4.654 -5.391 923 HA ARG 40 HA ARG 40 1.712 3.186 -4.021 924 HB2 ARG 40 HB2 ARG 40 1.424 4.116 -6.297 925 HB3 ARG 40 HB1 ARG 40 2.581 2.944 -6.909 926 HG2 ARG 40 HG2 ARG 40 1.005 1.159 -6.017 927 HG3 ARG 40 HG1 ARG 40 -0.177 2.458 -5.843 928 HD2 ARG 40 HD2 ARG 40 -0.650 1.616 -7.951 929 HD3 ARG 40 HD1 ARG 40 0.401 2.985 -8.305 930 HE ARG 40 HE ARG 40 2.047 0.760 -8.046 931 HH11 ARG 40 HH11 ARG 40 -0.559 1.815 -10.143 932 HH12 ARG 40 HH12 ARG 40 0.022 0.932 -11.518 933 HH21 ARG 40 HH21 ARG 40 2.821 -0.392 -9.845 934 HH22 ARG 40 HH22 ARG 40 1.937 -0.339 -11.344 935 H GLU 41 HN GLU 41 4.760 2.229 -5.498 936 HA GLU 41 HA GLU 41 4.265 -0.587 -5.078 937 HB2 GLU 41 HB2 GLU 41 6.957 0.546 -5.771 938 HB3 GLU 41 HB1 GLU 41 6.248 -0.990 -6.242 939 HG2 GLU 41 HG2 GLU 41 5.373 1.702 -7.270 940 HG3 GLU 41 HG1 GLU 41 6.448 0.591 -8.111 941 H VAL 42 HN VAL 42 6.190 1.984 -3.637 942 HA VAL 42 HA VAL 42 7.612 0.387 -1.789 943 HB VAL 42 HB VAL 42 6.827 3.302 -1.528 944 HG11 VAL 42 HG11 VAL 42 7.579 2.203 0.576 945 HG12 VAL 42 HG12 VAL 42 8.635 3.509 0.037 946 HG13 VAL 42 HG13 VAL 42 9.108 1.828 -0.218 947 HG21 VAL 42 HG21 VAL 42 8.048 2.938 -3.579 948 HG22 VAL 42 HG22 VAL 42 9.283 2.020 -2.720 949 HG23 VAL 42 HG23 VAL 42 9.095 3.745 -2.412 950 H TYR 43 HN TYR 43 4.454 1.921 -1.698 951 HA TYR 43 HA TYR 43 3.896 1.617 1.032 952 HB2 TYR 43 HB2 TYR 43 2.502 2.484 -1.281 953 HB3 TYR 43 HB1 TYR 43 1.499 1.272 -0.491 954 HD1 TYR 43 HD1 TYR 43 1.737 1.644 2.277 955 HD2 TYR 43 HD2 TYR 43 1.847 4.624 -0.752 956 HE1 TYR 43 HE1 TYR 43 0.987 3.319 3.907 957 HE2 TYR 43 HE2 TYR 43 1.099 6.310 0.875 958 HH TYR 43 HH TYR 43 -0.269 6.233 3.102 959 H ASP 44 HN ASP 44 3.618 -0.626 -1.656 960 HA ASP 44 HA ASP 44 2.111 -2.582 -0.238 961 HB2 ASP 44 HB2 ASP 44 2.255 -2.441 -2.736 962 HB3 ASP 44 HB1 ASP 44 3.914 -3.020 -2.623 963 H PHE 45 HN PHE 45 5.518 -2.023 -0.824 964 HA PHE 45 HA PHE 45 6.504 -4.384 0.366 965 HB2 PHE 45 HB2 PHE 45 7.640 -2.480 -1.107 966 HB3 PHE 45 HB1 PHE 45 8.100 -1.867 0.477 967 HD1 PHE 45 HD2 PHE 45 9.624 -3.114 1.900 968 HD2 PHE 45 HD1 PHE 45 8.581 -4.510 -1.979 969 HE1 PHE 45 HE2 PHE 45 11.527 -4.672 1.953 970 HE2 PHE 45 HE1 PHE 45 10.481 -6.072 -1.935 971 HZ PHE 45 HZ PHE 45 11.959 -6.156 0.034 972 H ALA 46 HN ALA 46 5.589 -1.266 1.647 973 HA ALA 46 HA ALA 46 6.693 -1.705 4.258 974 HB1 ALA 46 HB1 ALA 46 6.380 0.542 3.285 975 HB2 ALA 46 HB2 ALA 46 5.606 0.358 4.858 976 HB3 ALA 46 HB3 ALA 46 4.633 0.319 3.389 977 H PHE 47 HN PHE 47 3.636 -2.284 2.687 978 HA PHE 47 HA PHE 47 2.206 -2.786 5.135 979 HB2 PHE 47 HB2 PHE 47 1.200 -1.919 2.964 980 HB3 PHE 47 HB1 PHE 47 1.356 -3.560 2.347 981 HD1 PHE 47 HD1 PHE 47 -0.328 -1.432 4.825 982 HD2 PHE 47 HD2 PHE 47 -0.146 -5.280 3.019 983 HE1 PHE 47 HE1 PHE 47 -2.499 -2.004 5.832 984 HE2 PHE 47 HE2 PHE 47 -2.314 -5.856 4.024 985 HZ PHE 47 HZ PHE 47 -3.492 -4.221 5.432 986 H ARG 48 HN ARG 48 3.287 -4.792 2.395 987 HA ARG 48 HA ARG 48 2.759 -7.209 3.929 988 HB2 ARG 48 HB2 ARG 48 3.671 -6.754 1.081 989 HB3 ARG 48 HB1 ARG 48 3.535 -8.352 1.805 990 HG2 ARG 48 HG2 ARG 48 1.117 -7.736 2.320 991 HG3 ARG 48 HG1 ARG 48 1.347 -6.386 1.209 992 HD2 ARG 48 HD2 ARG 48 2.005 -9.201 0.402 993 HD3 ARG 48 HD1 ARG 48 0.356 -8.588 0.305 994 HE ARG 48 HE ARG 48 2.072 -6.767 -0.981 995 HH11 ARG 48 HH11 ARG 48 0.707 -9.963 -1.387 996 HH12 ARG 48 HH12 ARG 48 0.845 -9.949 -3.113 997 HH21 ARG 48 HH21 ARG 48 2.264 -6.731 -3.255 998 HH22 ARG 48 HH22 ARG 48 1.724 -8.105 -4.184 999 H ASP 49 HN ASP 49 4.228 -8.079 5.188 1000 HA ASP 49 HA ASP 49 6.809 -7.114 5.561 1001 HB2 ASP 49 HB2 ASP 49 5.551 -8.437 7.227 1002 HB3 ASP 49 HB1 ASP 49 5.772 -9.873 6.236 1003 H LEU 50 HN LEU 50 8.275 -7.062 4.011 1004 HA LEU 50 HA LEU 50 9.039 -9.594 2.745 1005 HB2 LEU 50 HB2 LEU 50 8.766 -6.908 1.391 1006 HB3 LEU 50 HB1 LEU 50 9.586 -8.283 0.672 1007 HG LEU 50 HG LEU 50 6.672 -8.290 1.471 1008 HD11 LEU 50 HD11 LEU 50 6.164 -8.025 -0.881 1009 HD12 LEU 50 HD12 LEU 50 7.881 -7.927 -1.267 1010 HD13 LEU 50 HD13 LEU 50 7.120 -6.658 -0.312 1011 HD21 LEU 50 HD21 LEU 50 7.692 -10.502 1.408 1012 HD22 LEU 50 HD22 LEU 50 8.313 -10.183 -0.212 1013 HD23 LEU 50 HD23 LEU 50 6.574 -10.293 0.058 1014 H CYS 51 HN CYS 51 11.298 -9.566 1.964 1015 HA CYS 51 HA CYS 51 12.962 -8.079 3.847 1016 HB2 CYS 51 HB2 CYS 51 14.706 -9.767 2.796 1017 HB3 CYS 51 HB1 CYS 51 13.580 -10.280 4.048 1018 HG CYS 51 HG CYS 51 12.916 -12.329 2.654 1019 H ILE 52 HN ILE 52 14.544 -6.712 3.244 1020 HA ILE 52 HA ILE 52 14.457 -5.668 0.552 1021 HB ILE 52 HB ILE 52 16.283 -4.860 2.821 1022 HG12 ILE 52 HG12 ILE 52 13.620 -3.685 1.997 1023 HG13 ILE 52 HG11 ILE 52 13.896 -4.671 3.430 1024 HG21 ILE 52 HG21 ILE 52 15.509 -3.493 0.248 1025 HG22 ILE 52 HG22 ILE 52 17.110 -4.075 0.708 1026 HG23 ILE 52 HG23 ILE 52 16.387 -2.708 1.560 1027 HD11 ILE 52 HD11 ILE 52 15.562 -2.918 4.148 1028 HD12 ILE 52 HD12 ILE 52 13.863 -2.449 4.165 1029 HD13 ILE 52 HD13 ILE 52 14.912 -1.913 2.851 1030 H VAL 53 HN VAL 53 15.959 -5.932 -1.015 1031 HA VAL 53 HA VAL 53 18.099 -7.869 -0.491 1032 HB VAL 53 HB VAL 53 17.059 -6.901 -3.165 1033 HG11 VAL 53 HG11 VAL 53 18.236 -8.883 -4.038 1034 HG12 VAL 53 HG12 VAL 53 18.853 -9.208 -2.419 1035 HG13 VAL 53 HG13 VAL 53 19.333 -7.739 -3.264 1036 HG21 VAL 53 HG21 VAL 53 16.400 -9.432 -1.655 1037 HG22 VAL 53 HG22 VAL 53 15.902 -9.060 -3.306 1038 HG23 VAL 53 HG23 VAL 53 15.301 -8.086 -1.964 1039 H TYR 54 HN TYR 54 20.032 -7.001 -0.088 1040 HA TYR 54 HA TYR 54 20.642 -4.343 -1.160 1041 HB2 TYR 54 HB2 TYR 54 21.919 -5.960 1.052 1042 HB3 TYR 54 HB1 TYR 54 22.558 -4.428 0.465 1043 HD1 TYR 54 HD1 TYR 54 19.832 -6.035 2.319 1044 HD2 TYR 54 HD2 TYR 54 21.459 -2.340 0.990 1045 HE1 TYR 54 HE1 TYR 54 18.326 -4.832 3.843 1046 HE2 TYR 54 HE2 TYR 54 19.958 -1.123 2.510 1047 HH TYR 54 HH TYR 54 17.668 -1.605 3.609 1048 H ARG 55 HN ARG 55 21.614 -4.377 -3.048 1049 HA ARG 55 HA ARG 55 23.371 -6.579 -3.786 1050 HB2 ARG 55 HB2 ARG 55 21.643 -4.896 -5.219 1051 HB3 ARG 55 HB1 ARG 55 23.259 -4.386 -5.693 1052 HG2 ARG 55 HG2 ARG 55 22.459 -7.272 -5.730 1053 HG3 ARG 55 HG1 ARG 55 22.098 -6.194 -7.080 1054 HD2 ARG 55 HD2 ARG 55 24.269 -6.039 -7.714 1055 HD3 ARG 55 HD1 ARG 55 24.870 -6.145 -6.058 1056 HE ARG 55 HE ARG 55 23.740 -8.574 -7.193 1057 HH11 ARG 55 HH11 ARG 55 26.611 -6.688 -6.471 1058 HH12 ARG 55 HH12 ARG 55 27.673 -8.063 -6.542 1059 HH21 ARG 55 HH21 ARG 55 25.153 -10.383 -7.274 1060 HH22 ARG 55 HH22 ARG 55 26.851 -10.155 -6.996 1061 H ASP 56 HN ASP 56 25.342 -6.474 -2.996 1062 HA ASP 56 HA ASP 56 27.483 -5.793 -2.644 1063 HB2 ASP 56 HB2 ASP 56 26.638 -3.334 -4.195 1064 HB3 ASP 56 HB1 ASP 56 28.274 -3.611 -3.607 1065 H GLY 57 HN GLY 57 25.748 -2.696 -2.456 1066 HA2 GLY 57 HA2 GLY 57 25.688 -2.733 0.423 1067 HA3 GLY 57 HA1 GLY 57 26.922 -1.656 -0.221 1068 H ASN 58 HN ASN 58 24.059 -2.150 -2.067 1069 HA ASN 58 HA ASN 58 23.112 0.524 -1.273 1070 HB2 ASN 58 HB2 ASN 58 24.095 -0.017 -3.690 1071 HB3 ASN 58 HB1 ASN 58 22.454 -0.593 -3.959 1072 HD21 ASN 58 HD21 ASN 58 22.167 1.072 -5.498 1073 HD22 ASN 58 HD22 ASN 58 21.843 2.695 -4.986 1074 HA PRO 59 HA PRO 59 19.383 -1.638 -0.133 1075 HB2 PRO 59 HB2 PRO 59 17.977 0.916 -0.164 1076 HB3 PRO 59 HB1 PRO 59 18.424 -0.091 1.223 1077 HG2 PRO 59 HG2 PRO 59 19.547 2.307 0.723 1078 HG3 PRO 59 HG1 PRO 59 20.389 0.985 1.553 1079 HD2 PRO 59 HD2 PRO 59 20.631 1.890 -1.286 1080 HD3 PRO 59 HD1 PRO 59 21.890 1.339 -0.160 1081 H TYR 60 HN TYR 60 18.283 -2.777 -1.589 1082 HA TYR 60 HA TYR 60 16.803 -1.313 -3.662 1083 HB2 TYR 60 HB2 TYR 60 18.257 -3.946 -3.962 1084 HB3 TYR 60 HB1 TYR 60 17.132 -3.296 -5.148 1085 HD1 TYR 60 HD1 TYR 60 17.709 -0.788 -5.888 1086 HD2 TYR 60 HD2 TYR 60 20.489 -3.591 -4.314 1087 HE1 TYR 60 HE1 TYR 60 19.549 0.448 -6.958 1088 HE2 TYR 60 HE2 TYR 60 22.332 -2.368 -5.376 1089 HH TYR 60 HH TYR 60 22.786 -0.825 -7.065 1090 H ALA 61 HN ALA 61 14.763 -2.102 -4.147 1091 HA ALA 61 HA ALA 61 13.756 -4.134 -2.263 1092 HB1 ALA 61 HB1 ALA 61 11.579 -2.991 -2.395 1093 HB2 ALA 61 HB2 ALA 61 12.313 -1.746 -3.406 1094 HB3 ALA 61 HB3 ALA 61 12.843 -1.953 -1.738 1095 H VAL 62 HN VAL 62 11.549 -4.982 -3.168 1096 HA VAL 62 HA VAL 62 12.126 -5.969 -5.858 1097 HB VAL 62 HB VAL 62 9.966 -6.951 -3.987 1098 HG11 VAL 62 HG11 VAL 62 10.046 -8.968 -5.329 1099 HG12 VAL 62 HG12 VAL 62 11.361 -8.296 -6.292 1100 HG13 VAL 62 HG13 VAL 62 9.759 -7.566 -6.359 1101 HG21 VAL 62 HG21 VAL 62 12.787 -7.994 -4.243 1102 HG22 VAL 62 HG22 VAL 62 11.496 -8.726 -3.292 1103 HG23 VAL 62 HG23 VAL 62 12.125 -7.138 -2.851 1104 H CYS 63 HN CYS 63 11.230 -4.827 -7.442 1105 HA CYS 63 HA CYS 63 9.058 -3.040 -7.022 1106 HB2 CYS 63 HB2 CYS 63 9.230 -2.605 -9.429 1107 HB3 CYS 63 HB1 CYS 63 10.815 -2.576 -8.667 1108 H ASP 64 HN ASP 64 7.193 -3.079 -8.606 1109 HA ASP 64 HA ASP 64 5.547 -5.286 -8.099 1110 HB2 ASP 64 HB2 ASP 64 4.593 -3.121 -8.507 1111 HB3 ASP 64 HB1 ASP 64 5.363 -3.017 -10.082 1112 H LYS 65 HN LYS 65 7.807 -4.605 -10.636 1113 HA LYS 65 HA LYS 65 6.829 -6.513 -12.534 1114 HB2 LYS 65 HB2 LYS 65 9.611 -5.353 -12.289 1115 HB3 LYS 65 HB1 LYS 65 8.927 -6.135 -13.706 1116 HG2 LYS 65 HG2 LYS 65 7.616 -4.327 -14.243 1117 HG3 LYS 65 HG1 LYS 65 7.588 -3.721 -12.586 1118 HD2 LYS 65 HD2 LYS 65 8.984 -2.219 -13.710 1119 HD3 LYS 65 HD1 LYS 65 10.103 -3.315 -12.901 1120 HE2 LYS 65 HE2 LYS 65 9.223 -3.724 -15.749 1121 HE3 LYS 65 HE1 LYS 65 10.603 -2.713 -15.330 1122 HZ1 LYS 65 HZ1 LYS 65 11.468 -4.743 -14.107 1123 HZ2 LYS 65 HZ2 LYS 65 11.485 -4.810 -15.799 1124 HZ3 LYS 65 HZ3 LYS 65 10.283 -5.626 -14.937 1125 H CYS 66 HN CYS 66 9.596 -6.456 -10.295 1126 HA CYS 66 HA CYS 66 10.379 -9.125 -10.798 1127 HB2 CYS 66 HB2 CYS 66 10.952 -7.327 -8.435 1128 HB3 CYS 66 HB1 CYS 66 11.767 -8.857 -8.758 1129 H LEU 67 HN LEU 67 8.147 -7.671 -8.519 1130 HA LEU 67 HA LEU 67 7.785 -9.890 -6.830 1131 HB2 LEU 67 HB2 LEU 67 6.269 -7.431 -7.473 1132 HB3 LEU 67 HB1 LEU 67 5.346 -8.742 -6.762 1133 HG LEU 67 HG LEU 67 7.857 -7.652 -5.501 1134 HD11 LEU 67 HD11 LEU 67 6.349 -6.407 -3.993 1135 HD12 LEU 67 HD12 LEU 67 4.988 -6.858 -5.019 1136 HD13 LEU 67 HD13 LEU 67 6.271 -5.831 -5.658 1137 HD21 LEU 67 HD21 LEU 67 5.569 -9.292 -4.419 1138 HD22 LEU 67 HD22 LEU 67 6.964 -8.728 -3.501 1139 HD23 LEU 67 HD23 LEU 67 7.180 -9.896 -4.805 1140 H LYS 68 HN LYS 68 6.529 -9.073 -9.960 1141 HA LYS 68 HA LYS 68 4.577 -11.191 -10.003 1142 HB2 LYS 68 HB2 LYS 68 4.305 -9.051 -11.252 1143 HB3 LYS 68 HB1 LYS 68 5.653 -9.517 -12.281 1144 HG2 LYS 68 HG2 LYS 68 3.615 -11.573 -12.141 1145 HG3 LYS 68 HG1 LYS 68 2.984 -10.035 -12.730 1146 HD2 LYS 68 HD2 LYS 68 4.379 -10.019 -14.574 1147 HD3 LYS 68 HD1 LYS 68 5.553 -11.098 -13.818 1148 HE2 LYS 68 HE2 LYS 68 2.791 -11.909 -14.693 1149 HE3 LYS 68 HE1 LYS 68 4.253 -12.159 -15.639 1150 HZ1 LYS 68 HZ1 LYS 68 4.934 -13.258 -13.289 1151 HZ2 LYS 68 HZ2 LYS 68 4.285 -14.122 -14.590 1152 HZ3 LYS 68 HZ3 LYS 68 3.277 -13.607 -13.333 1153 H PHE 69 HN PHE 69 7.925 -10.801 -10.765 1154 HA PHE 69 HA PHE 69 8.126 -13.070 -12.517 1155 HB2 PHE 69 HB2 PHE 69 10.246 -11.480 -11.063 1156 HB3 PHE 69 HB1 PHE 69 10.593 -12.777 -12.197 1157 HD1 PHE 69 HD1 PHE 69 8.106 -11.815 -13.986 1158 HD2 PHE 69 HD2 PHE 69 11.614 -9.987 -12.417 1159 HE1 PHE 69 HE1 PHE 69 8.081 -10.194 -15.832 1160 HE2 PHE 69 HE2 PHE 69 11.593 -8.360 -14.264 1161 HZ PHE 69 HZ PHE 69 9.828 -8.467 -15.970 1162 H TYR 70 HN TYR 70 9.025 -12.415 -9.152 1163 HA TYR 70 HA TYR 70 9.484 -15.290 -8.750 1164 HB2 TYR 70 HB2 TYR 70 10.224 -13.017 -6.897 1165 HB3 TYR 70 HB1 TYR 70 10.772 -14.686 -6.806 1166 HD1 TYR 70 HD2 TYR 70 12.232 -15.570 -8.700 1167 HD2 TYR 70 HD1 TYR 70 11.430 -11.431 -8.130 1168 HE1 TYR 70 HE2 TYR 70 14.188 -15.007 -10.075 1169 HE2 TYR 70 HE1 TYR 70 13.384 -10.862 -9.507 1170 HH TYR 70 HH TYR 70 15.479 -11.859 -10.238 Start of MODEL 3 1 H MET 1 HT1 MET 1 -21.032 -2.541 -5.586 2 HA MET 1 HA MET 1 -22.928 -1.568 -4.706 3 HB2 MET 1 HB2 MET 1 -23.951 -1.128 -6.935 4 HB3 MET 1 HB1 MET 1 -24.467 -2.807 -6.996 5 HG2 MET 1 HG2 MET 1 -25.813 -2.429 -4.961 6 HG3 MET 1 HG1 MET 1 -25.352 -0.729 -5.009 7 HE1 MET 1 HE1 MET 1 -27.984 -2.852 -8.143 8 HE2 MET 1 HE2 MET 1 -27.185 -3.633 -6.777 9 HE3 MET 1 HE3 MET 1 -26.235 -3.061 -8.146 10 H PHE 2 HN PHE 2 -23.825 -2.595 -2.989 11 HA PHE 2 HA PHE 2 -23.706 -5.514 -2.997 12 HB2 PHE 2 HB2 PHE 2 -23.568 -3.405 -0.925 13 HB3 PHE 2 HB1 PHE 2 -24.364 -4.901 -0.451 14 HD1 PHE 2 HD1 PHE 2 -21.345 -4.052 -2.480 15 HD2 PHE 2 HD2 PHE 2 -22.988 -6.287 0.743 16 HE1 PHE 2 HE1 PHE 2 -19.152 -5.100 -2.094 17 HE2 PHE 2 HE2 PHE 2 -20.798 -7.337 1.134 18 HZ PHE 2 HZ PHE 2 -18.879 -6.747 -0.287 19 H GLN 3 HN GLN 3 -25.479 -6.736 -2.021 20 HA GLN 3 HA GLN 3 -28.076 -5.397 -2.198 21 HB2 GLN 3 HB2 GLN 3 -28.895 -7.551 -3.363 22 HB3 GLN 3 HB1 GLN 3 -28.040 -6.351 -4.317 23 HG2 GLN 3 HG2 GLN 3 -26.897 -8.136 -5.045 24 HG3 GLN 3 HG1 GLN 3 -25.973 -7.898 -3.564 25 HE21 GLN 3 HE21 GLN 3 -26.131 -9.388 -1.929 26 HE22 GLN 3 HE22 GLN 3 -27.005 -10.873 -2.085 27 H ASP 4 HN ASP 4 -29.835 -6.680 -1.259 28 HA ASP 4 HA ASP 4 -29.217 -7.588 1.328 29 HB2 ASP 4 HB2 ASP 4 -31.426 -6.635 0.389 30 HB3 ASP 4 HB1 ASP 4 -31.752 -8.274 -0.163 31 HA PRO 5 HA PRO 5 -29.863 -8.850 2.831 32 HB2 PRO 5 HB2 PRO 5 -29.219 -10.880 4.483 33 HB3 PRO 5 HB1 PRO 5 -30.745 -10.851 3.580 34 HG2 PRO 5 HG2 PRO 5 -28.378 -12.530 3.179 35 HG3 PRO 5 HG1 PRO 5 -30.056 -12.792 2.678 36 HD2 PRO 5 HD2 PRO 5 -27.869 -11.802 1.098 37 HD3 PRO 5 HD1 PRO 5 -29.539 -12.121 0.592 38 H GLN 6 HN GLN 6 -27.202 -8.819 1.323 39 HA GLN 6 HA GLN 6 -25.218 -9.064 3.396 40 HB2 GLN 6 HB2 GLN 6 -25.051 -7.842 0.634 41 HB3 GLN 6 HB1 GLN 6 -23.681 -8.089 1.706 42 HG2 GLN 6 HG2 GLN 6 -23.761 -10.402 1.481 43 HG3 GLN 6 HG1 GLN 6 -25.418 -10.379 0.882 44 HE21 GLN 6 HE21 GLN 6 -22.982 -11.571 -0.238 45 HE22 GLN 6 HE22 GLN 6 -22.832 -10.915 -1.829 46 H GLU 7 HN GLU 7 -25.523 -7.694 5.043 47 HA GLU 7 HA GLU 7 -26.405 -4.989 4.604 48 HB2 GLU 7 HB2 GLU 7 -25.835 -6.649 7.020 49 HB3 GLU 7 HB1 GLU 7 -25.996 -4.903 7.172 50 HG2 GLU 7 HG2 GLU 7 -28.053 -6.794 6.055 51 HG3 GLU 7 HG1 GLU 7 -28.101 -6.003 7.630 52 H ARG 8 HN ARG 8 -23.562 -6.212 3.978 53 HA ARG 8 HA ARG 8 -21.506 -5.299 3.622 54 HB2 ARG 8 HB2 ARG 8 -22.904 -2.818 4.612 55 HB3 ARG 8 HB1 ARG 8 -21.193 -2.817 4.214 56 HG2 ARG 8 HG2 ARG 8 -22.143 -2.040 2.271 57 HG3 ARG 8 HG1 ARG 8 -21.988 -3.762 1.931 58 HD2 ARG 8 HD2 ARG 8 -24.168 -2.887 1.229 59 HD3 ARG 8 HD1 ARG 8 -24.330 -4.109 2.490 60 HE ARG 8 HE ARG 8 -24.321 -1.313 3.331 61 HH11 ARG 8 HH11 ARG 8 -26.197 -4.176 2.584 62 HH12 ARG 8 HH12 ARG 8 -27.559 -3.697 3.554 63 HH21 ARG 8 HH21 ARG 8 -26.141 -0.650 4.562 64 HH22 ARG 8 HH22 ARG 8 -27.535 -1.681 4.650 65 HA PRO 9 HA PRO 9 -19.597 -5.908 7.566 66 HB2 PRO 9 HB2 PRO 9 -17.013 -5.646 6.849 67 HB3 PRO 9 HB1 PRO 9 -17.990 -7.023 6.303 68 HG2 PRO 9 HG2 PRO 9 -17.221 -4.559 4.825 69 HG3 PRO 9 HG1 PRO 9 -17.303 -6.238 4.262 70 HD2 PRO 9 HD2 PRO 9 -19.263 -4.363 3.801 71 HD3 PRO 9 HD1 PRO 9 -19.536 -6.117 3.815 72 H ARG 10 HN ARG 10 -17.104 -4.635 8.235 73 HA ARG 10 HA ARG 10 -17.982 -1.840 8.518 74 HB2 ARG 10 HB2 ARG 10 -16.854 -3.749 10.527 75 HB3 ARG 10 HB1 ARG 10 -16.561 -2.025 10.715 76 HG2 ARG 10 HG2 ARG 10 -19.331 -3.106 10.343 77 HG3 ARG 10 HG1 ARG 10 -18.565 -3.053 11.931 78 HD2 ARG 10 HD2 ARG 10 -19.560 -1.021 11.992 79 HD3 ARG 10 HD1 ARG 10 -18.086 -0.547 11.154 80 HE ARG 10 HE ARG 10 -20.089 -1.331 9.299 81 HH11 ARG 10 HH11 ARG 10 -19.162 1.285 11.432 82 HH12 ARG 10 HH12 ARG 10 -19.971 2.507 10.509 83 HH21 ARG 10 HH21 ARG 10 -21.177 0.276 8.075 84 HH22 ARG 10 HH22 ARG 10 -21.139 1.927 8.604 85 H LYS 11 HN LYS 11 -15.122 -3.979 8.476 86 HA LYS 11 HA LYS 11 -13.502 -1.631 7.781 87 HB2 LYS 11 HB2 LYS 11 -12.513 -4.318 8.738 88 HB3 LYS 11 HB1 LYS 11 -11.572 -2.843 8.555 89 HG2 LYS 11 HG2 LYS 11 -13.031 -1.795 10.292 90 HG3 LYS 11 HG1 LYS 11 -13.751 -3.384 10.554 91 HD2 LYS 11 HD2 LYS 11 -12.119 -3.388 12.167 92 HD3 LYS 11 HD1 LYS 11 -11.251 -4.125 10.821 93 HE2 LYS 11 HE2 LYS 11 -10.195 -2.036 10.283 94 HE3 LYS 11 HE1 LYS 11 -11.177 -1.185 11.473 95 HZ1 LYS 11 HZ1 LYS 11 -9.009 -3.135 11.970 96 HZ2 LYS 11 HZ2 LYS 11 -10.105 -2.675 13.171 97 HZ3 LYS 11 HZ3 LYS 11 -9.093 -1.514 12.464 98 H LEU 12 HN LEU 12 -11.692 -2.000 6.303 99 HA LEU 12 HA LEU 12 -12.593 -2.855 3.806 100 HB2 LEU 12 HB2 LEU 12 -10.875 -1.133 4.167 101 HB3 LEU 12 HB1 LEU 12 -9.746 -2.378 4.667 102 HG LEU 12 HG LEU 12 -9.989 -3.402 2.380 103 HD11 LEU 12 HD11 LEU 12 -12.109 -2.463 1.723 104 HD12 LEU 12 HD12 LEU 12 -10.862 -1.932 0.598 105 HD13 LEU 12 HD13 LEU 12 -11.459 -0.828 1.834 106 HD21 LEU 12 HD21 LEU 12 -8.550 -1.753 1.287 107 HD22 LEU 12 HD22 LEU 12 -8.070 -2.032 2.962 108 HD23 LEU 12 HD23 LEU 12 -8.961 -0.572 2.530 109 HA PRO 13 HA PRO 13 -9.497 -6.703 4.342 110 HB2 PRO 13 HB2 PRO 13 -9.880 -7.655 6.976 111 HB3 PRO 13 HB1 PRO 13 -8.402 -6.927 6.322 112 HG2 PRO 13 HG2 PRO 13 -10.539 -5.698 7.960 113 HG3 PRO 13 HG1 PRO 13 -8.798 -5.362 7.926 114 HD2 PRO 13 HD2 PRO 13 -10.540 -3.685 6.802 115 HD3 PRO 13 HD1 PRO 13 -8.959 -4.002 6.058 116 H GLN 14 HN GLN 14 -12.455 -6.268 6.233 117 HA GLN 14 HA GLN 14 -13.427 -8.919 5.801 118 HB2 GLN 14 HB2 GLN 14 -15.169 -6.553 6.442 119 HB3 GLN 14 HB1 GLN 14 -15.391 -8.232 6.899 120 HG2 GLN 14 HG2 GLN 14 -13.571 -8.084 8.479 121 HG3 GLN 14 HG1 GLN 14 -13.231 -6.432 7.963 122 HE21 GLN 14 HE21 GLN 14 -16.389 -7.914 8.465 123 HE22 GLN 14 HE22 GLN 14 -16.869 -6.875 9.765 124 H LEU 15 HN LEU 15 -14.079 -5.749 4.375 125 HA LEU 15 HA LEU 15 -16.156 -6.456 2.659 126 HB2 LEU 15 HB2 LEU 15 -15.460 -4.138 3.175 127 HB3 LEU 15 HB1 LEU 15 -14.018 -4.374 2.206 128 HG LEU 15 HG LEU 15 -15.475 -4.751 0.217 129 HD11 LEU 15 HD11 LEU 15 -17.821 -4.013 0.363 130 HD12 LEU 15 HD12 LEU 15 -17.655 -3.894 2.114 131 HD13 LEU 15 HD13 LEU 15 -17.505 -5.461 1.318 132 HD21 LEU 15 HD21 LEU 15 -14.453 -2.563 0.747 133 HD22 LEU 15 HD22 LEU 15 -15.930 -2.115 1.601 134 HD23 LEU 15 HD23 LEU 15 -15.974 -2.427 -0.134 135 H CYS 16 HN CYS 16 -12.679 -6.752 2.265 136 HA CYS 16 HA CYS 16 -12.630 -7.319 -0.480 137 HB2 CYS 16 HB2 CYS 16 -10.776 -8.426 1.637 138 HB3 CYS 16 HB1 CYS 16 -10.432 -8.271 -0.083 139 HG CYS 16 HG CYS 16 -11.022 -5.575 1.942 140 H THR 17 HN THR 17 -13.088 -9.397 2.340 141 HA THR 17 HA THR 17 -13.158 -11.834 0.886 142 HB THR 17 HB THR 17 -14.409 -11.306 3.584 143 HG1 THR 17 HG1 THR 17 -12.235 -12.070 4.293 144 HG21 THR 17 HG21 THR 17 -13.882 -13.661 3.985 145 HG22 THR 17 HG22 THR 17 -13.198 -13.791 2.365 146 HG23 THR 17 HG23 THR 17 -14.921 -13.482 2.571 147 H GLU 18 HN GLU 18 -15.637 -9.578 2.046 148 HA GLU 18 HA GLU 18 -17.892 -11.114 1.338 149 HB2 GLU 18 HB2 GLU 18 -17.833 -8.104 1.218 150 HB3 GLU 18 HB1 GLU 18 -19.186 -9.148 1.618 151 HG2 GLU 18 HG2 GLU 18 -16.746 -8.680 3.316 152 HG3 GLU 18 HG1 GLU 18 -18.345 -7.990 3.575 153 H LEU 19 HN LEU 19 -15.821 -8.956 -0.473 154 HA LEU 19 HA LEU 19 -17.490 -9.033 -2.840 155 HB2 LEU 19 HB2 LEU 19 -14.954 -7.678 -2.054 156 HB3 LEU 19 HB1 LEU 19 -15.276 -7.899 -3.763 157 HG LEU 19 HG LEU 19 -17.196 -6.526 -1.890 158 HD11 LEU 19 HD11 LEU 19 -15.127 -5.295 -3.704 159 HD12 LEU 19 HD12 LEU 19 -15.072 -5.314 -1.942 160 HD13 LEU 19 HD13 LEU 19 -16.347 -4.424 -2.774 161 HD21 LEU 19 HD21 LEU 19 -18.000 -5.574 -4.080 162 HD22 LEU 19 HD22 LEU 19 -18.307 -7.293 -3.839 163 HD23 LEU 19 HD23 LEU 19 -16.984 -6.773 -4.882 164 H GLN 20 HN GLN 20 -15.515 -11.203 -1.449 165 HA GLN 20 HA GLN 20 -14.402 -13.058 -2.109 166 HB2 GLN 20 HB2 GLN 20 -16.127 -12.568 -4.530 167 HB3 GLN 20 HB1 GLN 20 -15.055 -13.957 -4.416 168 HG2 GLN 20 HG2 GLN 20 -16.384 -15.034 -2.969 169 HG3 GLN 20 HG1 GLN 20 -16.811 -13.561 -2.101 170 HE21 GLN 20 HE21 GLN 20 -17.195 -13.902 -5.558 171 HE22 GLN 20 HE22 GLN 20 -18.926 -13.939 -5.555 172 H THR 21 HN THR 21 -12.861 -10.837 -2.233 173 HA THR 21 HA THR 21 -10.985 -11.574 -4.314 174 HB THR 21 HB THR 21 -12.438 -9.839 -5.371 175 HG1 THR 21 HG1 THR 21 -10.624 -9.526 -6.400 176 HG21 THR 21 HG21 THR 21 -12.263 -7.510 -4.636 177 HG22 THR 21 HG22 THR 21 -11.270 -8.011 -3.267 178 HG23 THR 21 HG23 THR 21 -12.954 -8.523 -3.367 179 H THR 22 HN THR 22 -9.142 -9.586 -4.036 180 HA THR 22 HA THR 22 -8.477 -9.725 -1.169 181 HB THR 22 HB THR 22 -6.100 -9.572 -1.869 182 HG1 THR 22 HG1 THR 22 -6.482 -10.357 -4.447 183 HG21 THR 22 HG21 THR 22 -7.627 -11.877 -3.086 184 HG22 THR 22 HG22 THR 22 -7.073 -11.762 -1.417 185 HG23 THR 22 HG23 THR 22 -5.900 -11.868 -2.728 186 H ILE 23 HN ILE 23 -6.723 -7.958 -0.673 187 HA ILE 23 HA ILE 23 -7.979 -5.420 -1.121 188 HB ILE 23 HB ILE 23 -5.259 -5.727 0.118 189 HG12 ILE 23 HG12 ILE 23 -7.876 -6.303 1.528 190 HG13 ILE 23 HG11 ILE 23 -6.713 -7.530 1.038 191 HG21 ILE 23 HG21 ILE 23 -6.127 -3.932 1.596 192 HG22 ILE 23 HG22 ILE 23 -7.611 -3.915 0.644 193 HG23 ILE 23 HG23 ILE 23 -6.076 -3.481 -0.109 194 HD11 ILE 23 HD11 ILE 23 -6.515 -7.007 3.398 195 HD12 ILE 23 HD12 ILE 23 -6.212 -5.314 3.011 196 HD13 ILE 23 HD13 ILE 23 -5.052 -6.550 2.527 197 H HIS 24 HN HIS 24 -5.943 -7.216 -2.982 198 HA HIS 24 HA HIS 24 -4.393 -4.961 -4.005 199 HB2 HIS 24 HB2 HIS 24 -4.236 -7.835 -4.921 200 HB3 HIS 24 HB1 HIS 24 -3.049 -6.559 -5.161 201 HD1 HIS 24 HD1 HIS 24 -1.654 -5.839 -2.980 202 HD2 HIS 24 HD2 HIS 24 -3.986 -9.267 -2.619 203 HE1 HIS 24 HE1 HIS 24 -0.816 -7.065 -0.931 204 H ASP 25 HN ASP 25 -7.199 -6.792 -4.725 205 HA ASP 25 HA ASP 25 -7.326 -5.528 -7.386 206 HB2 ASP 25 HB2 ASP 25 -6.849 -8.048 -7.378 207 HB3 ASP 25 HB1 ASP 25 -8.497 -8.242 -6.794 208 H ILE 26 HN ILE 26 -8.477 -4.958 -4.618 209 HA ILE 26 HA ILE 26 -11.316 -5.316 -5.018 210 HB ILE 26 HB ILE 26 -10.449 -5.467 -2.750 211 HG12 ILE 26 HG12 ILE 26 -12.078 -2.934 -2.927 212 HG13 ILE 26 HG11 ILE 26 -12.761 -4.519 -3.266 213 HG21 ILE 26 HG21 ILE 26 -9.594 -3.488 -1.574 214 HG22 ILE 26 HG22 ILE 26 -9.636 -2.586 -3.090 215 HG23 ILE 26 HG23 ILE 26 -8.558 -3.972 -2.915 216 HD11 ILE 26 HD11 ILE 26 -11.483 -3.721 -0.663 217 HD12 ILE 26 HD12 ILE 26 -12.301 -5.243 -1.017 218 HD13 ILE 26 HD13 ILE 26 -13.216 -3.737 -0.985 219 H ILE 27 HN ILE 27 -12.715 -3.887 -5.809 220 HA ILE 27 HA ILE 27 -11.640 -1.348 -6.798 221 HB ILE 27 HB ILE 27 -14.177 -2.804 -7.563 222 HG12 ILE 27 HG12 ILE 27 -12.101 -3.928 -8.311 223 HG13 ILE 27 HG11 ILE 27 -13.046 -3.313 -9.661 224 HG21 ILE 27 HG21 ILE 27 -14.364 -1.167 -9.366 225 HG22 ILE 27 HG22 ILE 27 -12.933 -0.333 -8.763 226 HG23 ILE 27 HG23 ILE 27 -14.400 -0.383 -7.786 227 HD11 ILE 27 HD11 ILE 27 -10.703 -2.911 -10.038 228 HD12 ILE 27 HD12 ILE 27 -10.563 -2.073 -8.493 229 HD13 ILE 27 HD13 ILE 27 -11.532 -1.374 -9.791 230 H LEU 28 HN LEU 28 -12.037 0.377 -5.584 231 HA LEU 28 HA LEU 28 -14.641 0.585 -4.229 232 HB2 LEU 28 HB2 LEU 28 -12.107 0.379 -3.003 233 HB3 LEU 28 HB1 LEU 28 -12.601 2.054 -2.835 234 HG LEU 28 HG LEU 28 -14.723 1.293 -1.798 235 HD11 LEU 28 HD11 LEU 28 -14.922 -1.022 -1.060 236 HD12 LEU 28 HD12 LEU 28 -13.430 -1.428 -1.907 237 HD13 LEU 28 HD13 LEU 28 -14.850 -0.916 -2.818 238 HD21 LEU 28 HD21 LEU 28 -12.816 1.940 -0.416 239 HD22 LEU 28 HD22 LEU 28 -12.221 0.279 -0.449 240 HD23 LEU 28 HD23 LEU 28 -13.753 0.654 0.341 241 H GLU 29 HN GLU 29 -15.447 2.738 -3.997 242 HA GLU 29 HA GLU 29 -14.074 4.709 -5.704 243 HB2 GLU 29 HB2 GLU 29 -17.068 4.347 -5.510 244 HB3 GLU 29 HB1 GLU 29 -16.211 5.477 -6.550 245 HG2 GLU 29 HG2 GLU 29 -15.130 3.440 -7.612 246 HG3 GLU 29 HG1 GLU 29 -16.338 2.488 -6.755 247 H CYS 30 HN CYS 30 -14.611 6.956 -5.215 248 HA CYS 30 HA CYS 30 -14.521 7.444 -2.413 249 HB2 CYS 30 HB2 CYS 30 -13.319 8.852 -4.035 250 HB3 CYS 30 HB1 CYS 30 -14.855 9.389 -4.708 251 H VAL 31 HN VAL 31 -16.003 8.382 -1.081 252 HA VAL 31 HA VAL 31 -18.761 7.907 -1.731 253 HB VAL 31 HB VAL 31 -17.980 7.425 0.517 254 HG11 VAL 31 HG11 VAL 31 -16.203 9.035 0.716 255 HG12 VAL 31 HG12 VAL 31 -17.329 9.231 2.059 256 HG13 VAL 31 HG13 VAL 31 -17.362 10.363 0.708 257 HG21 VAL 31 HG21 VAL 31 -19.693 8.521 1.821 258 HG22 VAL 31 HG22 VAL 31 -20.327 8.134 0.220 259 HG23 VAL 31 HG23 VAL 31 -19.849 9.788 0.604 260 H TYR 32 HN TYR 32 -16.628 10.619 -1.831 261 HA TYR 32 HA TYR 32 -18.921 12.443 -2.089 262 HB2 TYR 32 HB2 TYR 32 -16.016 13.060 -1.526 263 HB3 TYR 32 HB1 TYR 32 -17.289 14.264 -1.692 264 HD1 TYR 32 HD2 TYR 32 -19.450 13.557 -0.127 265 HD2 TYR 32 HD1 TYR 32 -15.362 12.665 0.639 266 HE1 TYR 32 HE2 TYR 32 -19.951 13.351 2.269 267 HE2 TYR 32 HE1 TYR 32 -15.852 12.456 3.039 268 HH TYR 32 HH TYR 32 -17.387 12.764 4.640 269 H CYS 33 HN CYS 33 -15.714 11.864 -3.524 270 HA CYS 33 HA CYS 33 -16.335 13.447 -5.835 271 HB2 CYS 33 HB2 CYS 33 -14.027 11.542 -5.700 272 HB3 CYS 33 HB1 CYS 33 -14.116 13.135 -6.444 273 H LYS 34 HN LYS 34 -16.746 10.156 -4.956 274 HA LYS 34 HA LYS 34 -17.594 8.337 -6.021 275 HB2 LYS 34 HB2 LYS 34 -19.299 9.997 -6.786 276 HB3 LYS 34 HB1 LYS 34 -18.331 10.284 -8.221 277 HG2 LYS 34 HG2 LYS 34 -20.199 8.815 -8.700 278 HG3 LYS 34 HG1 LYS 34 -18.667 7.971 -8.921 279 HD2 LYS 34 HD2 LYS 34 -18.936 6.780 -6.878 280 HD3 LYS 34 HD1 LYS 34 -20.300 7.791 -6.394 281 HE2 LYS 34 HE2 LYS 34 -21.109 5.650 -7.171 282 HE3 LYS 34 HE1 LYS 34 -21.589 6.910 -8.302 283 HZ1 LYS 34 HZ1 LYS 34 -19.741 6.269 -9.731 284 HZ2 LYS 34 HZ2 LYS 34 -20.790 4.970 -9.466 285 HZ3 LYS 34 HZ3 LYS 34 -19.308 5.035 -8.647 286 H GLN 35 HN GLN 35 -14.885 9.642 -6.647 287 HA GLN 35 HA GLN 35 -14.194 8.636 -9.250 288 HB2 GLN 35 HB2 GLN 35 -13.149 10.649 -8.059 289 HB3 GLN 35 HB1 GLN 35 -12.290 9.485 -7.063 290 HG2 GLN 35 HG2 GLN 35 -10.822 10.168 -8.781 291 HG3 GLN 35 HG1 GLN 35 -11.329 8.523 -9.156 292 HE21 GLN 35 HE21 GLN 35 -13.370 11.326 -9.648 293 HE22 GLN 35 HE22 GLN 35 -13.346 11.276 -11.377 294 H GLN 36 HN GLN 36 -13.044 6.789 -9.717 295 HA GLN 36 HA GLN 36 -13.250 4.649 -7.844 296 HB2 GLN 36 HB2 GLN 36 -13.255 4.668 -10.496 297 HB3 GLN 36 HB1 GLN 36 -11.528 4.428 -10.274 298 HG2 GLN 36 HG2 GLN 36 -11.781 2.327 -9.453 299 HG3 GLN 36 HG1 GLN 36 -13.354 2.675 -8.735 300 HE21 GLN 36 HE21 GLN 36 -15.209 2.607 -10.048 301 HE22 GLN 36 HE22 GLN 36 -15.209 1.747 -11.550 302 H LEU 37 HN LEU 37 -11.909 4.220 -6.267 303 HA LEU 37 HA LEU 37 -9.432 5.604 -5.951 304 HB2 LEU 37 HB2 LEU 37 -11.061 3.712 -4.368 305 HB3 LEU 37 HB1 LEU 37 -9.341 3.696 -4.038 306 HG LEU 37 HG LEU 37 -9.475 6.164 -3.612 307 HD11 LEU 37 HD11 LEU 37 -12.440 5.661 -3.700 308 HD12 LEU 37 HD12 LEU 37 -11.521 6.611 -4.868 309 HD13 LEU 37 HD13 LEU 37 -11.649 7.156 -3.195 310 HD21 LEU 37 HD21 LEU 37 -10.439 5.926 -1.395 311 HD22 LEU 37 HD22 LEU 37 -9.456 4.519 -1.798 312 HD23 LEU 37 HD23 LEU 37 -11.214 4.417 -1.880 313 H LEU 38 HN LEU 38 -7.457 4.995 -6.508 314 HA LEU 38 HA LEU 38 -7.080 2.507 -7.926 315 HB2 LEU 38 HB2 LEU 38 -5.059 4.644 -7.227 316 HB3 LEU 38 HB1 LEU 38 -4.838 3.348 -8.385 317 HG LEU 38 HG LEU 38 -6.854 5.575 -8.669 318 HD11 LEU 38 HD11 LEU 38 -4.170 5.170 -9.978 319 HD12 LEU 38 HD12 LEU 38 -4.617 6.457 -8.858 320 HD13 LEU 38 HD13 LEU 38 -5.359 6.382 -10.456 321 HD21 LEU 38 HD21 LEU 38 -6.004 3.361 -10.534 322 HD22 LEU 38 HD22 LEU 38 -7.003 4.740 -10.997 323 HD23 LEU 38 HD23 LEU 38 -7.595 3.586 -9.802 324 H ARG 39 HN ARG 39 -4.994 1.252 -7.411 325 HA ARG 39 HA ARG 39 -5.264 0.105 -4.870 326 HB2 ARG 39 HB2 ARG 39 -4.281 -0.935 -6.978 327 HB3 ARG 39 HB1 ARG 39 -2.788 -0.105 -6.566 328 HG2 ARG 39 HG2 ARG 39 -2.820 -1.277 -4.366 329 HG3 ARG 39 HG1 ARG 39 -4.202 -2.208 -4.948 330 HD2 ARG 39 HD2 ARG 39 -1.568 -2.096 -6.394 331 HD3 ARG 39 HD1 ARG 39 -1.936 -3.309 -5.171 332 HE ARG 39 HE ARG 39 -3.967 -3.721 -6.765 333 HH11 ARG 39 HH11 ARG 39 -0.628 -3.073 -7.639 334 HH12 ARG 39 HH12 ARG 39 -0.726 -3.941 -9.140 335 HH21 ARG 39 HH21 ARG 39 -4.082 -4.876 -8.730 336 HH22 ARG 39 HH22 ARG 39 -2.690 -4.955 -9.764 337 H ARG 40 HN ARG 40 -3.503 2.889 -5.851 338 HA ARG 40 HA ARG 40 -1.464 2.837 -3.875 339 HB2 ARG 40 HB2 ARG 40 -1.139 4.289 -5.733 340 HB3 ARG 40 HB1 ARG 40 -2.699 5.065 -5.497 341 HG2 ARG 40 HG2 ARG 40 -1.696 5.786 -3.210 342 HG3 ARG 40 HG1 ARG 40 -0.152 5.437 -3.988 343 HD2 ARG 40 HD2 ARG 40 -0.673 7.775 -4.257 344 HD3 ARG 40 HD1 ARG 40 -0.764 6.971 -5.822 345 HE ARG 40 HE ARG 40 -3.307 6.890 -5.206 346 HH11 ARG 40 HH11 ARG 40 -1.056 9.498 -4.546 347 HH12 ARG 40 HH12 ARG 40 -2.262 10.736 -4.628 348 HH21 ARG 40 HH21 ARG 40 -4.905 8.529 -5.334 349 HH22 ARG 40 HH22 ARG 40 -4.437 10.193 -5.090 350 H GLU 41 HN GLU 41 -4.542 4.611 -4.064 351 HA GLU 41 HA GLU 41 -4.400 5.579 -1.404 352 HB2 GLU 41 HB2 GLU 41 -7.040 5.769 -1.919 353 HB3 GLU 41 HB1 GLU 41 -5.850 6.925 -2.500 354 HG2 GLU 41 HG2 GLU 41 -6.545 4.555 -4.171 355 HG3 GLU 41 HG1 GLU 41 -7.632 5.937 -4.114 356 H VAL 42 HN VAL 42 -5.659 2.660 -2.843 357 HA VAL 42 HA VAL 42 -7.245 1.783 -0.682 358 HB VAL 42 HB VAL 42 -5.741 0.204 -2.782 359 HG11 VAL 42 HG11 VAL 42 -6.099 -1.176 -0.782 360 HG12 VAL 42 HG12 VAL 42 -7.075 -1.729 -2.143 361 HG13 VAL 42 HG13 VAL 42 -7.821 -0.802 -0.840 362 HG21 VAL 42 HG21 VAL 42 -7.526 1.613 -3.654 363 HG22 VAL 42 HG22 VAL 42 -8.662 0.907 -2.502 364 HG23 VAL 42 HG23 VAL 42 -7.961 -0.092 -3.774 365 H TYR 43 HN TYR 43 -3.815 1.362 -1.462 366 HA TYR 43 HA TYR 43 -3.202 -0.228 0.811 367 HB2 TYR 43 HB2 TYR 43 -1.537 1.380 -1.109 368 HB3 TYR 43 HB1 TYR 43 -0.807 0.651 0.314 369 HD1 TYR 43 HD2 TYR 43 -2.953 -1.803 -0.068 370 HD2 TYR 43 HD1 TYR 43 0.083 0.034 -2.420 371 HE1 TYR 43 HE2 TYR 43 -2.653 -3.900 -1.312 372 HE2 TYR 43 HE1 TYR 43 0.388 -2.060 -3.665 373 HH TYR 43 HH TYR 43 -0.038 -4.610 -3.119 374 H ASP 44 HN ASP 44 -3.197 3.223 0.145 375 HA ASP 44 HA ASP 44 -1.962 4.073 2.536 376 HB2 ASP 44 HB2 ASP 44 -3.282 5.301 0.292 377 HB3 ASP 44 HB1 ASP 44 -3.858 6.037 1.781 378 H PHE 45 HN PHE 45 -5.254 3.250 1.697 379 HA PHE 45 HA PHE 45 -6.482 4.150 4.097 380 HB2 PHE 45 HB2 PHE 45 -7.622 3.620 1.876 381 HB3 PHE 45 HB1 PHE 45 -7.461 1.921 2.304 382 HD1 PHE 45 HD2 PHE 45 -8.711 1.002 4.218 383 HD2 PHE 45 HD1 PHE 45 -9.274 4.999 2.876 384 HE1 PHE 45 HE2 PHE 45 -10.832 1.115 5.463 385 HE2 PHE 45 HE1 PHE 45 -11.394 5.122 4.115 386 HZ PHE 45 HZ PHE 45 -12.179 3.180 5.415 387 H ALA 46 HN ALA 46 -5.347 0.983 2.965 388 HA ALA 46 HA ALA 46 -6.002 -0.441 5.323 389 HB1 ALA 46 HB1 ALA 46 -5.676 -1.552 3.175 390 HB2 ALA 46 HB2 ALA 46 -4.604 -2.225 4.403 391 HB3 ALA 46 HB3 ALA 46 -3.970 -1.108 3.194 392 H PHE 47 HN PHE 47 -3.412 1.660 4.541 393 HA PHE 47 HA PHE 47 -1.476 0.631 6.368 394 HB2 PHE 47 HB2 PHE 47 -1.549 2.592 4.366 395 HB3 PHE 47 HB1 PHE 47 -1.202 3.470 5.851 396 HD1 PHE 47 HD1 PHE 47 -0.070 0.665 3.718 397 HD2 PHE 47 HD2 PHE 47 0.933 3.415 6.812 398 HE1 PHE 47 HE1 PHE 47 2.289 -0.011 3.553 399 HE2 PHE 47 HE2 PHE 47 3.292 2.739 6.654 400 HZ PHE 47 HZ PHE 47 3.970 1.026 5.021 401 H ARG 48 HN ARG 48 -4.354 2.334 6.770 402 HA ARG 48 HA ARG 48 -3.582 3.115 9.502 403 HB2 ARG 48 HB2 ARG 48 -5.413 4.606 7.606 404 HB3 ARG 48 HB1 ARG 48 -5.181 5.012 9.304 405 HG2 ARG 48 HG2 ARG 48 -3.026 5.786 8.961 406 HG3 ARG 48 HG1 ARG 48 -2.832 4.887 7.452 407 HD2 ARG 48 HD2 ARG 48 -4.439 6.378 6.364 408 HD3 ARG 48 HD1 ARG 48 -4.648 7.261 7.876 409 HE ARG 48 HE ARG 48 -2.536 8.225 7.602 410 HH11 ARG 48 HH11 ARG 48 -3.206 5.942 5.027 411 HH12 ARG 48 HH12 ARG 48 -1.978 6.581 3.970 412 HH21 ARG 48 HH21 ARG 48 -0.927 9.057 6.219 413 HH22 ARG 48 HH22 ARG 48 -0.697 8.352 4.650 414 H ASP 49 HN ASP 49 -5.850 3.611 10.707 415 HA ASP 49 HA ASP 49 -7.505 1.223 10.211 416 HB2 ASP 49 HB2 ASP 49 -6.111 1.800 12.486 417 HB3 ASP 49 HB1 ASP 49 -7.689 2.480 12.871 418 H LEU 50 HN LEU 50 -8.538 2.718 8.644 419 HA LEU 50 HA LEU 50 -10.373 4.632 9.894 420 HB2 LEU 50 HB2 LEU 50 -9.720 4.191 6.976 421 HB3 LEU 50 HB1 LEU 50 -10.757 5.452 7.614 422 HG LEU 50 HG LEU 50 -7.926 5.310 8.557 423 HD11 LEU 50 HD11 LEU 50 -7.250 6.746 6.675 424 HD12 LEU 50 HD12 LEU 50 -8.826 6.484 5.928 425 HD13 LEU 50 HD13 LEU 50 -7.716 5.129 6.145 426 HD21 LEU 50 HD21 LEU 50 -9.847 7.577 8.019 427 HD22 LEU 50 HD22 LEU 50 -8.227 7.731 8.702 428 HD23 LEU 50 HD23 LEU 50 -9.483 6.875 9.597 429 H CYS 51 HN CYS 51 -12.602 4.661 9.137 430 HA CYS 51 HA CYS 51 -13.606 1.936 8.773 431 HB2 CYS 51 HB2 CYS 51 -15.742 2.799 9.577 432 HB3 CYS 51 HB1 CYS 51 -14.461 3.213 10.714 433 HG CYS 51 HG CYS 51 -15.022 5.586 8.430 434 H ILE 52 HN ILE 52 -15.092 1.446 7.169 435 HA ILE 52 HA ILE 52 -14.848 3.037 4.783 436 HB ILE 52 HB ILE 52 -16.361 0.471 5.307 437 HG12 ILE 52 HG12 ILE 52 -13.732 0.999 3.906 438 HG13 ILE 52 HG11 ILE 52 -13.911 0.306 5.513 439 HG21 ILE 52 HG21 ILE 52 -15.790 1.884 2.697 440 HG22 ILE 52 HG22 ILE 52 -17.369 1.695 3.458 441 HG23 ILE 52 HG23 ILE 52 -16.506 0.281 2.851 442 HD11 ILE 52 HD11 ILE 52 -14.653 -1.704 4.712 443 HD12 ILE 52 HD12 ILE 52 -13.511 -1.217 3.457 444 HD13 ILE 52 HD13 ILE 52 -15.241 -1.008 3.201 445 H VAL 53 HN VAL 53 -16.408 4.261 3.834 446 HA VAL 53 HA VAL 53 -18.787 4.762 5.469 447 HB VAL 53 HB VAL 53 -17.795 6.410 3.143 448 HG11 VAL 53 HG11 VAL 53 -19.146 8.177 4.104 449 HG12 VAL 53 HG12 VAL 53 -19.601 7.130 5.448 450 HG13 VAL 53 HG13 VAL 53 -20.141 6.748 3.811 451 HG21 VAL 53 HG21 VAL 53 -17.167 6.773 6.071 452 HG22 VAL 53 HG22 VAL 53 -16.749 7.895 4.776 453 HG23 VAL 53 HG23 VAL 53 -16.028 6.285 4.811 454 H TYR 54 HN TYR 54 -20.500 3.601 4.862 455 HA TYR 54 HA TYR 54 -20.803 2.879 2.047 456 HB2 TYR 54 HB2 TYR 54 -22.235 1.923 4.530 457 HB3 TYR 54 HB1 TYR 54 -22.627 1.393 2.898 458 HD1 TYR 54 HD2 TYR 54 -20.822 0.215 1.553 459 HD2 TYR 54 HD1 TYR 54 -20.504 0.869 5.748 460 HE1 TYR 54 HE2 TYR 54 -19.089 -1.525 1.686 461 HE2 TYR 54 HE1 TYR 54 -18.767 -0.866 5.890 462 HH TYR 54 HH TYR 54 -17.133 -2.054 3.264 463 H ARG 55 HN ARG 55 -21.819 4.353 0.879 464 HA ARG 55 HA ARG 55 -24.021 5.873 2.086 465 HB2 ARG 55 HB2 ARG 55 -21.888 6.732 0.592 466 HB3 ARG 55 HB1 ARG 55 -23.143 6.596 -0.632 467 HG2 ARG 55 HG2 ARG 55 -23.423 8.159 1.927 468 HG3 ARG 55 HG1 ARG 55 -22.947 8.849 0.375 469 HD2 ARG 55 HD2 ARG 55 -25.046 8.461 -0.575 470 HD3 ARG 55 HD1 ARG 55 -25.488 7.277 0.656 471 HE ARG 55 HE ARG 55 -25.130 9.650 1.996 472 HH11 ARG 55 HH11 ARG 55 -27.197 8.479 -0.586 473 HH12 ARG 55 HH12 ARG 55 -28.503 9.554 -0.176 474 HH21 ARG 55 HH21 ARG 55 -26.853 11.038 2.531 475 HH22 ARG 55 HH22 ARG 55 -28.313 10.992 1.592 476 H ASP 56 HN ASP 56 -25.945 5.061 1.770 477 HA ASP 56 HA ASP 56 -27.822 4.299 0.763 478 HB2 ASP 56 HB2 ASP 56 -26.206 4.829 -1.717 479 HB3 ASP 56 HB1 ASP 56 -27.802 4.089 -1.802 480 H GLY 57 HN GLY 57 -24.918 2.686 0.741 481 HA2 GLY 57 HA2 GLY 57 -25.190 0.284 1.348 482 HA3 GLY 57 HA1 GLY 57 -26.250 0.167 -0.050 483 H ASN 58 HN ASN 58 -24.067 2.221 -1.130 484 HA ASN 58 HA ASN 58 -22.570 0.137 -2.485 485 HB2 ASN 58 HB2 ASN 58 -23.556 2.550 -3.328 486 HB3 ASN 58 HB1 ASN 58 -21.866 2.948 -3.038 487 HD21 ASN 58 HD21 ASN 58 -21.794 3.321 -5.342 488 HD22 ASN 58 HD22 ASN 58 -21.553 1.976 -6.408 489 HA PRO 59 HA PRO 59 -19.083 0.540 0.223 490 HB2 PRO 59 HB2 PRO 59 -17.312 -0.580 -1.766 491 HB3 PRO 59 HB1 PRO 59 -18.000 -1.368 -0.340 492 HG2 PRO 59 HG2 PRO 59 -18.640 -2.016 -2.912 493 HG3 PRO 59 HG1 PRO 59 -19.678 -2.317 -1.506 494 HD2 PRO 59 HD2 PRO 59 -19.853 -0.160 -3.554 495 HD3 PRO 59 HD1 PRO 59 -21.147 -1.036 -2.711 496 H TYR 60 HN TYR 60 -18.743 2.755 0.301 497 HA TYR 60 HA TYR 60 -16.913 3.842 -1.727 498 HB2 TYR 60 HB2 TYR 60 -18.895 5.242 0.072 499 HB3 TYR 60 HB1 TYR 60 -17.704 6.081 -0.913 500 HD1 TYR 60 HD1 TYR 60 -17.802 4.711 -3.466 501 HD2 TYR 60 HD2 TYR 60 -20.973 5.662 -0.796 502 HE1 TYR 60 HE1 TYR 60 -19.381 4.728 -5.352 503 HE2 TYR 60 HE2 TYR 60 -22.561 5.680 -2.669 504 HH TYR 60 HH TYR 60 -22.532 5.986 -5.098 505 H ALA 61 HN ALA 61 -15.356 5.418 -0.944 506 HA ALA 61 HA ALA 61 -14.644 5.227 1.882 507 HB1 ALA 61 HB1 ALA 61 -12.278 4.715 1.287 508 HB2 ALA 61 HB2 ALA 61 -12.808 4.406 -0.369 509 HB3 ALA 61 HB3 ALA 61 -13.400 3.396 0.952 510 H VAL 62 HN VAL 62 -12.427 6.580 2.048 511 HA VAL 62 HA VAL 62 -13.056 9.153 0.810 512 HB VAL 62 HB VAL 62 -11.310 9.990 2.529 513 HG11 VAL 62 HG11 VAL 62 -13.003 10.148 4.275 514 HG12 VAL 62 HG12 VAL 62 -13.932 8.862 3.507 515 HG13 VAL 62 HG13 VAL 62 -13.721 10.409 2.686 516 HG21 VAL 62 HG21 VAL 62 -11.984 7.330 3.789 517 HG22 VAL 62 HG22 VAL 62 -11.015 8.615 4.508 518 HG23 VAL 62 HG23 VAL 62 -10.421 7.753 3.088 519 H CYS 63 HN CYS 63 -11.845 9.864 -0.826 520 HA CYS 63 HA CYS 63 -9.586 8.357 -1.712 521 HB2 CYS 63 HB2 CYS 63 -9.454 10.122 -3.481 522 HB3 CYS 63 HB1 CYS 63 -11.029 9.345 -3.366 523 H ASP 64 HN ASP 64 -7.633 9.788 -2.490 524 HA ASP 64 HA ASP 64 -6.202 10.556 -0.207 525 HB2 ASP 64 HB2 ASP 64 -5.241 9.796 -2.414 526 HB3 ASP 64 HB1 ASP 64 -5.609 11.392 -3.053 527 H LYS 65 HN LYS 65 -8.379 12.278 -2.241 528 HA LYS 65 HA LYS 65 -7.508 14.923 -1.494 529 HB2 LYS 65 HB2 LYS 65 -10.159 14.099 -2.691 530 HB3 LYS 65 HB1 LYS 65 -9.444 15.703 -2.698 531 HG2 LYS 65 HG2 LYS 65 -7.925 15.163 -4.352 532 HG3 LYS 65 HG1 LYS 65 -8.038 13.430 -4.027 533 HD2 LYS 65 HD2 LYS 65 -9.161 14.129 -6.138 534 HD3 LYS 65 HD1 LYS 65 -10.241 13.335 -4.992 535 HE2 LYS 65 HE2 LYS 65 -10.640 15.846 -4.228 536 HE3 LYS 65 HE1 LYS 65 -10.155 16.162 -5.889 537 HZ1 LYS 65 HZ1 LYS 65 -12.375 14.381 -5.041 538 HZ2 LYS 65 HZ2 LYS 65 -11.901 14.668 -6.637 539 HZ3 LYS 65 HZ3 LYS 65 -12.543 15.927 -5.712 540 H CYS 66 HN CYS 66 -10.459 13.008 -0.894 541 HA CYS 66 HA CYS 66 -11.629 14.700 0.974 542 HB2 CYS 66 HB2 CYS 66 -11.860 11.699 0.747 543 HB3 CYS 66 HB1 CYS 66 -12.964 12.734 1.647 544 H LEU 67 HN LEU 67 -9.284 12.111 1.444 545 HA LEU 67 HA LEU 67 -9.345 11.875 4.204 546 HB2 LEU 67 HB2 LEU 67 -7.244 11.507 2.131 547 HB3 LEU 67 HB1 LEU 67 -6.745 11.514 3.811 548 HG LEU 67 HG LEU 67 -8.945 9.704 2.868 549 HD11 LEU 67 HD11 LEU 67 -7.236 7.947 2.584 550 HD12 LEU 67 HD12 LEU 67 -5.979 9.168 2.791 551 HD13 LEU 67 HD13 LEU 67 -7.071 9.251 1.409 552 HD21 LEU 67 HD21 LEU 67 -8.274 8.388 4.796 553 HD22 LEU 67 HD22 LEU 67 -8.627 10.045 5.284 554 HD23 LEU 67 HD23 LEU 67 -6.955 9.511 5.125 555 H LYS 68 HN LYS 68 -7.620 14.213 2.215 556 HA LYS 68 HA LYS 68 -6.400 15.500 4.485 557 HB2 LYS 68 HB2 LYS 68 -5.385 15.291 2.169 558 HB3 LYS 68 HB1 LYS 68 -6.526 16.527 1.658 559 HG2 LYS 68 HG2 LYS 68 -5.525 17.871 3.657 560 HG3 LYS 68 HG1 LYS 68 -4.171 16.756 3.465 561 HD2 LYS 68 HD2 LYS 68 -3.978 17.396 1.116 562 HD3 LYS 68 HD1 LYS 68 -5.338 18.502 1.306 563 HE2 LYS 68 HE2 LYS 68 -2.730 18.682 2.807 564 HE3 LYS 68 HE1 LYS 68 -3.158 19.649 1.398 565 HZ1 LYS 68 HZ1 LYS 68 -4.514 19.676 4.041 566 HZ2 LYS 68 HZ2 LYS 68 -5.057 20.517 2.678 567 HZ3 LYS 68 HZ3 LYS 68 -3.567 20.908 3.372 568 H PHE 69 HN PHE 69 -9.191 16.060 2.400 569 HA PHE 69 HA PHE 69 -9.605 18.750 3.299 570 HB2 PHE 69 HB2 PHE 69 -11.429 16.849 1.828 571 HB3 PHE 69 HB1 PHE 69 -11.800 18.540 2.137 572 HD1 PHE 69 HD1 PHE 69 -8.828 19.430 1.656 573 HD2 PHE 69 HD2 PHE 69 -11.612 17.081 -0.546 574 HE1 PHE 69 HE1 PHE 69 -7.700 20.053 -0.436 575 HE2 PHE 69 HE2 PHE 69 -10.487 17.701 -2.640 576 HZ PHE 69 HZ PHE 69 -8.526 19.187 -2.588 577 H TYR 70 HN TYR 70 -10.678 15.615 4.395 578 HA TYR 70 HA TYR 70 -12.447 16.947 6.336 579 HB2 TYR 70 HB2 TYR 70 -12.487 14.129 5.243 580 HB3 TYR 70 HB1 TYR 70 -13.484 14.657 6.592 581 HD1 TYR 70 HD1 TYR 70 -12.921 14.959 2.973 582 HD2 TYR 70 HD2 TYR 70 -15.414 16.054 6.245 583 HE1 TYR 70 HE1 TYR 70 -14.638 15.733 1.397 584 HE2 TYR 70 HE2 TYR 70 -17.140 16.834 4.674 585 HH TYR 70 HH TYR 70 -17.013 16.147 1.318 586 H MET 1 HT1 MET 1 25.261 7.261 -2.179 587 HA MET 1 HA MET 1 24.465 4.425 -1.968 588 HB2 MET 1 HB2 MET 1 26.691 3.937 -1.274 589 HB3 MET 1 HB1 MET 1 26.825 4.864 -2.760 590 HG2 MET 1 HG2 MET 1 27.188 5.959 0.023 591 HG3 MET 1 HG1 MET 1 28.482 5.533 -1.095 592 HE1 MET 1 HE1 MET 1 28.389 8.297 0.305 593 HE2 MET 1 HE2 MET 1 28.652 9.446 -1.007 594 HE3 MET 1 HE3 MET 1 29.602 7.963 -0.933 595 H PHE 2 HN PHE 2 24.730 3.651 0.300 596 HA PHE 2 HA PHE 2 23.923 5.787 2.158 597 HB2 PHE 2 HB2 PHE 2 22.730 3.269 1.544 598 HB3 PHE 2 HB1 PHE 2 23.282 3.229 3.212 599 HD1 PHE 2 HD1 PHE 2 22.064 6.211 1.386 600 HD2 PHE 2 HD2 PHE 2 21.229 3.262 4.340 601 HE1 PHE 2 HE1 PHE 2 20.080 7.484 2.093 602 HE2 PHE 2 HE2 PHE 2 19.244 4.527 5.049 603 HZ PHE 2 HZ PHE 2 18.669 6.640 3.927 604 H GLN 3 HN GLN 3 25.320 6.289 3.673 605 HA GLN 3 HA GLN 3 27.060 4.230 4.804 606 HB2 GLN 3 HB2 GLN 3 28.822 6.261 4.754 607 HB3 GLN 3 HB1 GLN 3 28.724 5.052 3.483 608 HG2 GLN 3 HG2 GLN 3 28.685 6.891 2.178 609 HG3 GLN 3 HG1 GLN 3 26.961 6.788 2.508 610 HE21 GLN 3 HE21 GLN 3 29.426 7.850 4.779 611 HE22 GLN 3 HE22 GLN 3 28.884 9.487 4.881 612 H ASP 4 HN ASP 4 28.448 5.557 6.606 613 HA ASP 4 HA ASP 4 26.869 6.013 8.772 614 HB2 ASP 4 HB2 ASP 4 29.293 5.766 8.899 615 HB3 ASP 4 HB1 ASP 4 29.515 7.329 8.125 616 HA PRO 5 HA PRO 5 26.499 7.112 10.613 617 HB2 PRO 5 HB2 PRO 5 24.283 8.077 11.768 618 HB3 PRO 5 HB1 PRO 5 25.787 9.021 11.732 619 HG2 PRO 5 HG2 PRO 5 23.387 9.245 9.970 620 HG3 PRO 5 HG1 PRO 5 24.321 10.528 10.765 621 HD2 PRO 5 HD2 PRO 5 24.672 9.834 8.159 622 HD3 PRO 5 HD1 PRO 5 25.962 10.509 9.171 623 H GLN 6 HN GLN 6 24.397 7.112 7.983 624 HA GLN 6 HA GLN 6 22.305 5.463 8.923 625 HB2 GLN 6 HB2 GLN 6 23.424 5.928 6.159 626 HB3 GLN 6 HB1 GLN 6 22.055 4.868 6.455 627 HG2 GLN 6 HG2 GLN 6 21.104 6.895 5.820 628 HG3 GLN 6 HG1 GLN 6 20.950 6.859 7.573 629 HE21 GLN 6 HE21 GLN 6 23.962 7.550 5.929 630 HE22 GLN 6 HE22 GLN 6 24.036 9.216 6.382 631 H GLU 7 HN GLU 7 22.355 3.416 9.545 632 HA GLU 7 HA GLU 7 24.782 1.868 9.096 633 HB2 GLU 7 HB2 GLU 7 23.513 2.067 11.333 634 HB3 GLU 7 HB1 GLU 7 22.385 0.912 10.636 635 HG2 GLU 7 HG2 GLU 7 24.111 -0.131 12.057 636 HG3 GLU 7 HG1 GLU 7 24.117 -0.727 10.398 637 H ARG 8 HN ARG 8 21.663 2.153 7.770 638 HA ARG 8 HA ARG 8 20.657 1.116 6.016 639 HB2 ARG 8 HB2 ARG 8 23.161 -0.559 5.813 640 HB3 ARG 8 HB1 ARG 8 21.896 -0.442 4.600 641 HG2 ARG 8 HG2 ARG 8 22.732 1.440 3.757 642 HG3 ARG 8 HG1 ARG 8 23.020 2.139 5.353 643 HD2 ARG 8 HD2 ARG 8 24.761 0.052 4.041 644 HD3 ARG 8 HD1 ARG 8 25.100 1.782 4.051 645 HE ARG 8 HE ARG 8 24.801 0.344 6.594 646 HH11 ARG 8 HH11 ARG 8 26.820 2.127 4.345 647 HH12 ARG 8 HH12 ARG 8 28.097 2.365 5.498 648 HH21 ARG 8 HH21 ARG 8 26.484 0.684 8.114 649 HH22 ARG 8 HH22 ARG 8 27.891 1.583 7.632 650 HA PRO 9 HA PRO 9 19.370 -2.356 8.709 651 HB2 PRO 9 HB2 PRO 9 16.754 -1.712 8.794 652 HB3 PRO 9 HB1 PRO 9 17.945 -0.897 9.826 653 HG2 PRO 9 HG2 PRO 9 16.674 0.046 7.313 654 HG3 PRO 9 HG1 PRO 9 17.051 0.942 8.797 655 HD2 PRO 9 HD2 PRO 9 18.586 1.011 6.526 656 HD3 PRO 9 HD1 PRO 9 19.192 1.352 8.157 657 H ARG 10 HN ARG 10 17.463 -3.949 8.256 658 HA ARG 10 HA ARG 10 17.357 -4.348 5.345 659 HB2 ARG 10 HB2 ARG 10 17.746 -6.164 7.608 660 HB3 ARG 10 HB1 ARG 10 16.568 -6.742 6.439 661 HG2 ARG 10 HG2 ARG 10 18.744 -7.606 5.886 662 HG3 ARG 10 HG1 ARG 10 18.245 -6.449 4.651 663 HD2 ARG 10 HD2 ARG 10 19.580 -4.720 5.946 664 HD3 ARG 10 HD1 ARG 10 20.258 -6.069 6.857 665 HE ARG 10 HE ARG 10 20.657 -6.757 4.251 666 HH11 ARG 10 HH11 ARG 10 21.493 -3.966 6.186 667 HH12 ARG 10 HH12 ARG 10 22.923 -3.602 5.278 668 HH21 ARG 10 HH21 ARG 10 22.531 -6.275 3.038 669 HH22 ARG 10 HH22 ARG 10 23.501 -4.902 3.470 670 H LYS 11 HN LYS 11 15.526 -2.912 7.453 671 HA LYS 11 HA LYS 11 13.031 -3.991 6.332 672 HB2 LYS 11 HB2 LYS 11 13.558 -3.057 9.154 673 HB3 LYS 11 HB1 LYS 11 11.934 -3.182 8.492 674 HG2 LYS 11 HG2 LYS 11 13.888 -5.466 8.669 675 HG3 LYS 11 HG1 LYS 11 12.606 -5.143 9.835 676 HD2 LYS 11 HD2 LYS 11 10.914 -5.543 8.209 677 HD3 LYS 11 HD1 LYS 11 12.090 -5.577 6.896 678 HE2 LYS 11 HE2 LYS 11 13.077 -7.612 7.828 679 HE3 LYS 11 HE1 LYS 11 11.911 -7.574 9.148 680 HZ1 LYS 11 HZ1 LYS 11 10.141 -7.973 7.642 681 HZ2 LYS 11 HZ2 LYS 11 11.344 -9.101 7.279 682 HZ3 LYS 11 HZ3 LYS 11 11.134 -7.745 6.290 683 H LEU 12 HN LEU 12 11.783 -2.588 5.333 684 HA LEU 12 HA LEU 12 12.656 -0.120 4.498 685 HB2 LEU 12 HB2 LEU 12 10.968 -1.419 3.343 686 HB3 LEU 12 HB1 LEU 12 9.829 -1.133 4.643 687 HG LEU 12 HG LEU 12 9.919 1.308 4.110 688 HD11 LEU 12 HD11 LEU 12 11.484 0.362 1.709 689 HD12 LEU 12 HD12 LEU 12 12.094 1.377 3.018 690 HD13 LEU 12 HD13 LEU 12 10.834 1.986 1.942 691 HD21 LEU 12 HD21 LEU 12 8.496 1.151 2.165 692 HD22 LEU 12 HD22 LEU 12 8.140 -0.172 3.273 693 HD23 LEU 12 HD23 LEU 12 9.094 -0.470 1.821 694 HA PRO 13 HA PRO 13 9.537 2.075 7.655 695 HB2 PRO 13 HB2 PRO 13 9.603 0.668 10.087 696 HB3 PRO 13 HB1 PRO 13 8.237 0.740 8.962 697 HG2 PRO 13 HG2 PRO 13 10.296 -1.368 9.292 698 HG3 PRO 13 HG1 PRO 13 8.574 -1.515 8.886 699 HD2 PRO 13 HD2 PRO 13 10.454 -1.814 7.017 700 HD3 PRO 13 HD1 PRO 13 8.918 -0.999 6.652 701 H GLN 14 HN GLN 14 12.314 0.177 8.742 702 HA GLN 14 HA GLN 14 13.222 2.232 10.543 703 HB2 GLN 14 HB2 GLN 14 13.572 -0.213 10.921 704 HB3 GLN 14 HB1 GLN 14 14.692 -0.220 9.566 705 HG2 GLN 14 HG2 GLN 14 16.290 0.991 10.716 706 HG3 GLN 14 HG1 GLN 14 15.117 1.653 11.850 707 HE21 GLN 14 HE21 GLN 14 13.820 -0.705 12.583 708 HE22 GLN 14 HE22 GLN 14 14.923 -1.679 13.486 709 H LEU 15 HN LEU 15 13.854 1.244 7.257 710 HA LEU 15 HA LEU 15 16.273 2.674 6.872 711 HB2 LEU 15 HB2 LEU 15 15.539 0.884 5.368 712 HB3 LEU 15 HB1 LEU 15 14.164 1.851 4.872 713 HG LEU 15 HG LEU 15 15.990 3.570 4.126 714 HD11 LEU 15 HD11 LEU 15 17.896 2.436 5.094 715 HD12 LEU 15 HD12 LEU 15 18.040 2.465 3.335 716 HD13 LEU 15 HD13 LEU 15 17.538 0.987 4.154 717 HD21 LEU 15 HD21 LEU 15 16.087 2.469 1.921 718 HD22 LEU 15 HD22 LEU 15 14.459 2.509 2.597 719 HD23 LEU 15 HD23 LEU 15 15.399 1.016 2.642 720 H CYS 16 HN CYS 16 12.889 3.503 6.604 721 HA CYS 16 HA CYS 16 13.130 5.953 5.267 722 HB2 CYS 16 HB2 CYS 16 11.057 5.175 7.327 723 HB3 CYS 16 HB1 CYS 16 10.898 6.436 6.109 724 HG CYS 16 HG CYS 16 11.295 3.130 5.323 725 H THR 17 HN THR 17 13.244 5.156 8.720 726 HA THR 17 HA THR 17 13.348 7.782 9.699 727 HB THR 17 HB THR 17 14.913 6.154 11.403 728 HG1 THR 17 HG1 THR 17 14.278 4.283 10.431 729 HG21 THR 17 HG21 THR 17 11.965 6.806 11.506 730 HG22 THR 17 HG22 THR 17 13.262 7.847 12.087 731 HG23 THR 17 HG23 THR 17 12.963 6.293 12.868 732 H GLU 18 HN GLU 18 15.881 5.581 8.601 733 HA GLU 18 HA GLU 18 18.080 7.160 9.404 734 HB2 GLU 18 HB2 GLU 18 17.774 5.025 7.299 735 HB3 GLU 18 HB1 GLU 18 19.311 5.805 7.642 736 HG2 GLU 18 HG2 GLU 18 18.461 5.046 10.131 737 HG3 GLU 18 HG1 GLU 18 17.900 3.726 9.105 738 H LEU 19 HN LEU 19 16.214 6.987 6.411 739 HA LEU 19 HA LEU 19 17.839 8.931 5.053 740 HB2 LEU 19 HB2 LEU 19 16.160 7.012 4.191 741 HB3 LEU 19 HB1 LEU 19 15.074 8.385 4.128 742 HG LEU 19 HG LEU 19 17.739 8.713 2.848 743 HD11 LEU 19 HD11 LEU 19 15.517 7.071 1.635 744 HD12 LEU 19 HD12 LEU 19 17.109 6.483 2.113 745 HD13 LEU 19 HD13 LEU 19 16.958 7.640 0.791 746 HD21 LEU 19 HD21 LEU 19 16.104 10.535 2.888 747 HD22 LEU 19 HD22 LEU 19 14.940 9.509 2.054 748 HD23 LEU 19 HD23 LEU 19 16.428 9.993 1.243 749 H GLN 20 HN GLN 20 15.573 9.107 7.465 750 HA GLN 20 HA GLN 20 14.523 10.788 8.539 751 HB2 GLN 20 HB2 GLN 20 16.333 12.387 6.756 752 HB3 GLN 20 HB1 GLN 20 15.173 13.183 7.809 753 HG2 GLN 20 HG2 GLN 20 17.263 11.241 8.770 754 HG3 GLN 20 HG1 GLN 20 17.465 12.992 8.751 755 HE21 GLN 20 HE21 GLN 20 15.870 10.305 10.250 756 HE22 GLN 20 HE22 GLN 20 15.248 11.177 11.614 757 H THR 21 HN THR 21 13.186 9.524 6.405 758 HA THR 21 HA THR 21 11.248 11.616 5.807 759 HB THR 21 HB THR 21 12.792 11.423 3.820 760 HG1 THR 21 HG1 THR 21 11.039 11.476 2.356 761 HG21 THR 21 HG21 THR 21 13.172 9.002 3.888 762 HG22 THR 21 HG22 THR 21 12.508 9.498 2.331 763 HG23 THR 21 HG23 THR 21 11.469 8.724 3.526 764 H THR 22 HN THR 22 9.412 10.246 4.362 765 HA THR 22 HA THR 22 8.776 7.973 6.127 766 HB THR 22 HB THR 22 6.382 8.471 5.655 767 HG1 THR 22 HG1 THR 22 7.134 11.030 4.768 768 HG21 THR 22 HG21 THR 22 6.222 10.394 7.140 769 HG22 THR 22 HG22 THR 22 7.927 10.755 6.874 770 HG23 THR 22 HG23 THR 22 7.460 9.274 7.706 771 H ILE 23 HN ILE 23 7.055 6.524 5.103 772 HA ILE 23 HA ILE 23 8.154 5.354 2.753 773 HB ILE 23 HB ILE 23 5.458 4.673 3.922 774 HG12 ILE 23 HG12 ILE 23 8.159 3.742 4.921 775 HG13 ILE 23 HG11 ILE 23 7.092 4.851 5.771 776 HG21 ILE 23 HG21 ILE 23 6.056 2.401 3.207 777 HG22 ILE 23 HG22 ILE 23 7.581 3.014 2.568 778 HG23 ILE 23 HG23 ILE 23 6.054 3.540 1.859 779 HD11 ILE 23 HD11 ILE 23 6.509 1.974 5.124 780 HD12 ILE 23 HD12 ILE 23 5.407 3.082 5.942 781 HD13 ILE 23 HD13 ILE 23 6.933 2.630 6.706 782 H HIS 24 HN HIS 24 6.151 7.972 3.133 783 HA HIS 24 HA HIS 24 4.598 7.471 0.707 784 HB2 HIS 24 HB2 HIS 24 4.409 9.887 2.509 785 HB3 HIS 24 HB1 HIS 24 3.224 9.320 1.338 786 HD1 HIS 24 HD1 HIS 24 1.704 7.299 2.071 787 HD2 HIS 24 HD2 HIS 24 4.351 8.650 4.983 788 HE1 HIS 24 HE1 HIS 24 0.976 6.235 4.247 789 H ASP 25 HN ASP 25 7.551 8.679 1.480 790 HA ASP 25 HA ASP 25 7.530 10.487 -0.843 791 HB2 ASP 25 HB2 ASP 25 7.658 11.926 1.047 792 HB3 ASP 25 HB1 ASP 25 8.855 10.903 1.834 793 H ILE 26 HN ILE 26 9.352 8.202 1.118 794 HA ILE 26 HA ILE 26 11.765 8.324 -0.310 795 HB ILE 26 HB ILE 26 11.543 7.278 1.915 796 HG12 ILE 26 HG12 ILE 26 12.616 5.334 -0.137 797 HG13 ILE 26 HG11 ILE 26 13.462 6.789 0.379 798 HG21 ILE 26 HG21 ILE 26 10.623 5.100 2.225 799 HG22 ILE 26 HG22 ILE 26 10.327 4.913 0.496 800 HG23 ILE 26 HG23 ILE 26 9.403 6.093 1.427 801 HD11 ILE 26 HD11 ILE 26 14.310 4.821 1.518 802 HD12 ILE 26 HD12 ILE 26 12.701 4.471 2.146 803 HD13 ILE 26 HD13 ILE 26 13.551 5.928 2.660 804 H ILE 27 HN ILE 27 12.359 7.604 -2.238 805 HA ILE 27 HA ILE 27 10.590 5.711 -3.644 806 HB ILE 27 HB ILE 27 12.411 7.809 -4.848 807 HG12 ILE 27 HG12 ILE 27 10.405 8.782 -3.806 808 HG13 ILE 27 HG11 ILE 27 10.358 8.934 -5.559 809 HG21 ILE 27 HG21 ILE 27 11.369 7.181 -6.989 810 HG22 ILE 27 HG22 ILE 27 10.521 5.868 -6.171 811 HG23 ILE 27 HG23 ILE 27 12.282 5.856 -6.266 812 HD11 ILE 27 HD11 ILE 27 8.856 6.982 -5.648 813 HD12 ILE 27 HD12 ILE 27 8.182 8.339 -4.745 814 HD13 ILE 27 HD13 ILE 27 8.844 6.947 -3.884 815 H LEU 28 HN LEU 28 11.447 3.772 -3.978 816 HA LEU 28 HA LEU 28 14.379 3.503 -3.948 817 HB2 LEU 28 HB2 LEU 28 12.317 2.121 -2.502 818 HB3 LEU 28 HB1 LEU 28 13.171 0.982 -3.527 819 HG LEU 28 HG LEU 28 15.302 1.649 -2.508 820 HD11 LEU 28 HD11 LEU 28 15.290 3.070 -0.500 821 HD12 LEU 28 HD12 LEU 28 13.586 3.432 -0.784 822 HD13 LEU 28 HD13 LEU 28 14.806 3.947 -1.951 823 HD21 LEU 28 HD21 LEU 28 13.130 0.826 -0.592 824 HD22 LEU 28 HD22 LEU 28 14.854 0.755 -0.228 825 HD23 LEU 28 HD23 LEU 28 14.189 -0.225 -1.534 826 H GLU 29 HN GLU 29 15.239 1.728 -5.298 827 HA GLU 29 HA GLU 29 13.685 1.481 -7.789 828 HB2 GLU 29 HB2 GLU 29 16.676 1.324 -7.385 829 HB3 GLU 29 HB1 GLU 29 15.840 1.208 -8.929 830 HG2 GLU 29 HG2 GLU 29 15.327 3.456 -8.970 831 HG3 GLU 29 HG1 GLU 29 15.478 3.626 -7.220 832 H CYS 30 HN CYS 30 13.862 -0.530 -8.967 833 HA CYS 30 HA CYS 30 13.688 -2.811 -7.268 834 HB2 CYS 30 HB2 CYS 30 12.321 -2.604 -9.308 835 HB3 CYS 30 HB1 CYS 30 13.778 -2.648 -10.292 836 H VAL 31 HN VAL 31 15.074 -4.537 -7.081 837 HA VAL 31 HA VAL 31 17.848 -3.932 -7.539 838 HB VAL 31 HB VAL 31 17.097 -5.015 -5.458 839 HG11 VAL 31 HG11 VAL 31 16.543 -7.424 -5.478 840 HG12 VAL 31 HG12 VAL 31 16.480 -7.365 -7.238 841 HG13 VAL 31 HG13 VAL 31 15.331 -6.427 -6.284 842 HG21 VAL 31 HG21 VAL 31 18.841 -6.762 -5.370 843 HG22 VAL 31 HG22 VAL 31 19.404 -5.255 -6.096 844 HG23 VAL 31 HG23 VAL 31 19.015 -6.637 -7.120 845 H TYR 32 HN TYR 32 15.385 -5.726 -9.170 846 HA TYR 32 HA TYR 32 17.432 -7.079 -10.793 847 HB2 TYR 32 HB2 TYR 32 14.496 -7.703 -10.469 848 HB3 TYR 32 HB1 TYR 32 15.587 -8.553 -11.562 849 HD1 TYR 32 HD2 TYR 32 17.842 -9.387 -10.312 850 HD2 TYR 32 HD1 TYR 32 14.078 -8.715 -8.447 851 HE1 TYR 32 HE2 TYR 32 18.484 -10.891 -8.475 852 HE2 TYR 32 HE1 TYR 32 14.711 -10.219 -6.611 853 HH TYR 32 HH TYR 32 16.225 -11.644 -5.844 854 H CYS 33 HN CYS 33 14.345 -5.308 -11.127 855 HA CYS 33 HA CYS 33 14.766 -4.975 -13.967 856 HB2 CYS 33 HB2 CYS 33 12.714 -3.503 -12.329 857 HB3 CYS 33 HB1 CYS 33 12.632 -3.978 -14.021 858 H LYS 34 HN LYS 34 15.490 -3.295 -11.081 859 HA LYS 34 HA LYS 34 16.575 -1.379 -10.591 860 HB2 LYS 34 HB2 LYS 34 17.386 -1.576 -13.492 861 HB3 LYS 34 HB1 LYS 34 18.009 -0.354 -12.393 862 HG2 LYS 34 HG2 LYS 34 19.633 -1.810 -11.933 863 HG3 LYS 34 HG1 LYS 34 18.421 -2.695 -11.007 864 HD2 LYS 34 HD2 LYS 34 17.873 -4.018 -12.994 865 HD3 LYS 34 HD1 LYS 34 19.098 -3.145 -13.914 866 HE2 LYS 34 HE2 LYS 34 20.807 -3.971 -12.320 867 HE3 LYS 34 HE1 LYS 34 19.555 -4.922 -11.523 868 HZ1 LYS 34 HZ1 LYS 34 20.931 -6.144 -13.193 869 HZ2 LYS 34 HZ2 LYS 34 20.216 -5.200 -14.399 870 HZ3 LYS 34 HZ3 LYS 34 19.262 -6.229 -13.453 871 H GLN 35 HN GLN 35 13.797 -1.398 -11.759 872 HA GLN 35 HA GLN 35 13.596 1.292 -12.866 873 HB2 GLN 35 HB2 GLN 35 11.463 -0.791 -12.336 874 HB3 GLN 35 HB1 GLN 35 11.203 0.747 -13.143 875 HG2 GLN 35 HG2 GLN 35 12.930 -1.510 -14.135 876 HG3 GLN 35 HG1 GLN 35 11.342 -1.054 -14.753 877 HE21 GLN 35 HE21 GLN 35 14.710 -0.393 -14.768 878 HE22 GLN 35 HE22 GLN 35 14.683 0.869 -15.951 879 H GLN 36 HN GLN 36 12.134 2.852 -11.891 880 HA GLN 36 HA GLN 36 12.500 2.996 -9.061 881 HB2 GLN 36 HB2 GLN 36 11.105 4.765 -11.057 882 HB3 GLN 36 HB1 GLN 36 11.104 5.116 -9.334 883 HG2 GLN 36 HG2 GLN 36 13.475 5.345 -9.302 884 HG3 GLN 36 HG1 GLN 36 13.607 4.750 -10.956 885 HE21 GLN 36 HE21 GLN 36 11.113 6.967 -9.929 886 HE22 GLN 36 HE22 GLN 36 11.704 8.338 -10.799 887 H LEU 37 HN LEU 37 11.201 2.351 -7.505 888 HA LEU 37 HA LEU 37 8.646 1.160 -8.173 889 HB2 LEU 37 HB2 LEU 37 10.476 1.138 -5.847 890 HB3 LEU 37 HB1 LEU 37 8.771 0.975 -5.482 891 HG LEU 37 HG LEU 37 8.802 -0.927 -7.241 892 HD11 LEU 37 HD11 LEU 37 11.036 -0.415 -8.112 893 HD12 LEU 37 HD12 LEU 37 10.927 -2.059 -7.481 894 HD13 LEU 37 HD13 LEU 37 11.727 -0.801 -6.537 895 HD21 LEU 37 HD21 LEU 37 8.426 -1.288 -4.876 896 HD22 LEU 37 HD22 LEU 37 10.158 -1.196 -4.564 897 HD23 LEU 37 HD23 LEU 37 9.503 -2.531 -5.513 898 H LEU 38 HN LEU 38 6.726 2.072 -7.883 899 HA LEU 38 HA LEU 38 6.559 4.809 -7.020 900 HB2 LEU 38 HB2 LEU 38 4.325 2.876 -7.666 901 HB3 LEU 38 HB1 LEU 38 4.188 4.620 -7.548 902 HG LEU 38 HG LEU 38 5.737 3.097 -9.644 903 HD11 LEU 38 HD11 LEU 38 3.186 4.691 -9.789 904 HD12 LEU 38 HD12 LEU 38 3.352 2.947 -9.991 905 HD13 LEU 38 HD13 LEU 38 4.059 4.044 -11.178 906 HD21 LEU 38 HD21 LEU 38 5.990 5.340 -10.689 907 HD22 LEU 38 HD22 LEU 38 6.891 5.140 -9.189 908 HD23 LEU 38 HD23 LEU 38 5.382 6.052 -9.197 909 H ARG 39 HN ARG 39 5.156 5.539 -5.269 910 HA ARG 39 HA ARG 39 5.684 4.353 -2.832 911 HB2 ARG 39 HB2 ARG 39 3.895 5.785 -1.889 912 HB3 ARG 39 HB1 ARG 39 4.985 6.659 -2.955 913 HG2 ARG 39 HG2 ARG 39 3.298 6.428 -4.770 914 HG3 ARG 39 HG1 ARG 39 2.197 5.718 -3.588 915 HD2 ARG 39 HD2 ARG 39 3.459 8.317 -2.919 916 HD3 ARG 39 HD1 ARG 39 2.200 8.315 -4.150 917 HE ARG 39 HE ARG 39 1.283 6.882 -1.915 918 HH11 ARG 39 HH11 ARG 39 2.186 10.162 -2.732 919 HH12 ARG 39 HH12 ARG 39 0.995 10.883 -1.693 920 HH21 ARG 39 HH21 ARG 39 -0.265 7.822 -0.504 921 HH22 ARG 39 HH22 ARG 39 -0.389 9.558 -0.436 922 H ARG 40 HN ARG 40 3.119 3.661 -5.069 923 HA ARG 40 HA ARG 40 1.340 2.293 -3.396 924 HB2 ARG 40 HB2 ARG 40 0.699 2.906 -5.637 925 HB3 ARG 40 HB1 ARG 40 1.995 1.940 -6.324 926 HG2 ARG 40 HG2 ARG 40 0.849 -0.076 -5.315 927 HG3 ARG 40 HG1 ARG 40 -0.525 0.990 -5.001 928 HD2 ARG 40 HD2 ARG 40 -0.776 -0.233 -7.119 929 HD3 ARG 40 HD1 ARG 40 -0.688 1.510 -7.367 930 HE ARG 40 HE ARG 40 1.725 -0.150 -7.681 931 HH11 ARG 40 HH11 ARG 40 -0.694 1.987 -9.070 932 HH12 ARG 40 HH12 ARG 40 0.185 2.222 -10.546 933 HH21 ARG 40 HH21 ARG 40 2.892 0.190 -9.611 934 HH22 ARG 40 HH22 ARG 40 2.212 1.204 -10.857 935 H GLU 41 HN GLU 41 4.074 1.088 -5.324 936 HA GLU 41 HA GLU 41 3.806 -1.608 -4.428 937 HB2 GLU 41 HB2 GLU 41 6.493 -0.854 -5.317 938 HB3 GLU 41 HB1 GLU 41 5.415 -2.091 -5.937 939 HG2 GLU 41 HG2 GLU 41 5.029 0.812 -6.583 940 HG3 GLU 41 HG1 GLU 41 6.120 -0.213 -7.505 941 H VAL 42 HN VAL 42 5.553 1.215 -3.376 942 HA VAL 42 HA VAL 42 7.335 -0.044 -1.590 943 HB VAL 42 HB VAL 42 6.214 2.762 -1.421 944 HG11 VAL 42 HG11 VAL 42 8.263 3.273 -0.182 945 HG12 VAL 42 HG12 VAL 42 8.724 1.571 -0.249 946 HG13 VAL 42 HG13 VAL 42 7.288 2.059 0.648 947 HG21 VAL 42 HG21 VAL 42 7.236 2.349 -3.588 948 HG22 VAL 42 HG22 VAL 42 8.690 1.734 -2.800 949 HG23 VAL 42 HG23 VAL 42 8.244 3.431 -2.625 950 H TYR 43 HN TYR 43 4.003 1.055 -1.263 951 HA TYR 43 HA TYR 43 3.827 0.763 1.551 952 HB2 TYR 43 HB2 TYR 43 1.668 0.632 -0.562 953 HB3 TYR 43 HB1 TYR 43 1.357 0.656 1.169 954 HD1 TYR 43 HD1 TYR 43 3.602 2.678 1.822 955 HD2 TYR 43 HD2 TYR 43 0.492 2.633 -1.083 956 HE1 TYR 43 HE1 TYR 43 3.616 5.131 1.778 957 HE2 TYR 43 HE2 TYR 43 0.501 5.089 -1.133 958 HH TYR 43 HH TYR 43 2.981 6.932 0.210 959 H ASP 44 HN ASP 44 3.350 -1.428 -1.144 960 HA ASP 44 HA ASP 44 2.253 -3.577 0.349 961 HB2 ASP 44 HB2 ASP 44 2.464 -3.117 -2.275 962 HB3 ASP 44 HB1 ASP 44 3.887 -4.135 -2.076 963 H PHE 45 HN PHE 45 5.479 -2.475 -0.338 964 HA PHE 45 HA PHE 45 6.935 -4.753 0.424 965 HB2 PHE 45 HB2 PHE 45 7.714 -2.545 -0.720 966 HB3 PHE 45 HB1 PHE 45 7.908 -1.950 0.923 967 HD1 PHE 45 HD1 PHE 45 9.134 -4.293 -1.597 968 HD2 PHE 45 HD2 PHE 45 9.675 -2.774 2.343 969 HE1 PHE 45 HE1 PHE 45 11.367 -5.316 -1.512 970 HE2 PHE 45 HE2 PHE 45 11.910 -3.795 2.433 971 HZ PHE 45 HZ PHE 45 12.758 -5.070 0.503 972 H ALA 46 HN ALA 46 5.516 -2.121 2.240 973 HA ALA 46 HA ALA 46 6.622 -3.027 4.766 974 HB1 ALA 46 HB1 ALA 46 6.453 -0.660 4.480 975 HB2 ALA 46 HB2 ALA 46 5.274 -1.138 5.699 976 HB3 ALA 46 HB3 ALA 46 4.745 -0.779 4.056 977 H PHE 47 HN PHE 47 3.772 -3.388 2.880 978 HA PHE 47 HA PHE 47 2.000 -4.204 4.971 979 HB2 PHE 47 HB2 PHE 47 1.433 -3.264 2.625 980 HB3 PHE 47 HB1 PHE 47 1.678 -4.912 2.063 981 HD1 PHE 47 HD1 PHE 47 -0.257 -2.937 4.553 982 HD2 PHE 47 HD2 PHE 47 -0.075 -6.415 2.100 983 HE1 PHE 47 HE1 PHE 47 -2.579 -3.483 5.160 984 HE2 PHE 47 HE2 PHE 47 -2.395 -6.966 2.703 985 HZ PHE 47 HZ PHE 47 -3.651 -5.501 4.234 986 H ARG 48 HN ARG 48 3.990 -5.873 2.582 987 HA ARG 48 HA ARG 48 3.324 -8.443 3.837 988 HB2 ARG 48 HB2 ARG 48 4.610 -7.712 1.209 989 HB3 ARG 48 HB1 ARG 48 4.666 -9.349 1.845 990 HG2 ARG 48 HG2 ARG 48 2.203 -9.391 1.888 991 HG3 ARG 48 HG1 ARG 48 2.189 -7.785 1.159 992 HD2 ARG 48 HD2 ARG 48 3.867 -9.682 -0.283 993 HD3 ARG 48 HD1 ARG 48 2.179 -10.181 -0.199 994 HE ARG 48 HE ARG 48 2.243 -7.477 -0.932 995 HH11 ARG 48 HH11 ARG 48 3.222 -10.591 -2.233 996 HH12 ARG 48 HH12 ARG 48 2.986 -10.112 -3.884 997 HH21 ARG 48 HH21 ARG 48 1.890 -6.863 -3.103 998 HH22 ARG 48 HH22 ARG 48 2.230 -8.002 -4.380 999 H ASP 49 HN ASP 49 5.178 -9.972 4.183 1000 HA ASP 49 HA ASP 49 7.268 -8.557 5.600 1001 HB2 ASP 49 HB2 ASP 49 6.217 -10.603 6.545 1002 HB3 ASP 49 HB1 ASP 49 6.925 -11.540 5.233 1003 H LEU 50 HN LEU 50 8.798 -7.690 4.378 1004 HA LEU 50 HA LEU 50 10.229 -9.444 2.515 1005 HB2 LEU 50 HB2 LEU 50 9.095 -6.724 1.996 1006 HB3 LEU 50 HB1 LEU 50 10.545 -7.236 1.155 1007 HG LEU 50 HG LEU 50 8.255 -9.109 1.055 1008 HD11 LEU 50 HD11 LEU 50 8.259 -6.484 -0.426 1009 HD12 LEU 50 HD12 LEU 50 7.090 -7.003 0.790 1010 HD13 LEU 50 HD13 LEU 50 7.184 -7.843 -0.757 1011 HD21 LEU 50 HD21 LEU 50 10.390 -9.529 -0.088 1012 HD22 LEU 50 HD22 LEU 50 10.166 -8.055 -1.027 1013 HD23 LEU 50 HD23 LEU 50 9.046 -9.404 -1.222 1014 H CYS 51 HN CYS 51 12.356 -8.401 1.868 1015 HA CYS 51 HA CYS 51 13.531 -6.929 4.128 1016 HB2 CYS 51 HB2 CYS 51 15.655 -8.320 3.382 1017 HB3 CYS 51 HB1 CYS 51 14.479 -9.000 4.501 1018 HG CYS 51 HG CYS 51 15.098 -9.852 1.277 1019 H ILE 52 HN ILE 52 15.322 -5.564 3.560 1020 HA ILE 52 HA ILE 52 15.013 -4.409 0.938 1021 HB ILE 52 HB ILE 52 17.008 -3.648 3.077 1022 HG12 ILE 52 HG12 ILE 52 14.284 -2.451 2.520 1023 HG13 ILE 52 HG11 ILE 52 14.654 -3.518 3.872 1024 HG21 ILE 52 HG21 ILE 52 15.963 -2.134 0.686 1025 HG22 ILE 52 HG22 ILE 52 17.577 -2.823 0.855 1026 HG23 ILE 52 HG23 ILE 52 17.071 -1.496 1.900 1027 HD11 ILE 52 HD11 ILE 52 14.615 -1.146 4.505 1028 HD12 ILE 52 HD12 ILE 52 15.946 -0.848 3.390 1029 HD13 ILE 52 HD13 ILE 52 16.186 -1.898 4.784 1030 H VAL 53 HN VAL 53 16.229 -4.757 -0.776 1031 HA VAL 53 HA VAL 53 18.514 -6.565 -0.539 1032 HB VAL 53 HB VAL 53 18.307 -6.199 -3.196 1033 HG11 VAL 53 HG11 VAL 53 16.937 -8.245 -3.257 1034 HG12 VAL 53 HG12 VAL 53 16.581 -8.044 -1.542 1035 HG13 VAL 53 HG13 VAL 53 18.235 -8.352 -2.071 1036 HG21 VAL 53 HG21 VAL 53 15.500 -5.789 -2.160 1037 HG22 VAL 53 HG22 VAL 53 15.945 -6.074 -3.842 1038 HG23 VAL 53 HG23 VAL 53 16.473 -4.598 -3.031 1039 H TYR 54 HN TYR 54 20.573 -5.894 -0.871 1040 HA TYR 54 HA TYR 54 20.907 -3.059 -1.568 1041 HB2 TYR 54 HB2 TYR 54 22.441 -4.828 0.314 1042 HB3 TYR 54 HB1 TYR 54 23.155 -3.358 -0.345 1043 HD1 TYR 54 HD2 TYR 54 20.324 -4.642 1.677 1044 HD2 TYR 54 HD1 TYR 54 22.591 -1.230 0.522 1045 HE1 TYR 54 HE2 TYR 54 19.184 -3.308 3.396 1046 HE2 TYR 54 HE1 TYR 54 21.451 0.112 2.240 1047 HH TYR 54 HH TYR 54 19.239 -1.356 4.556 1048 H ARG 55 HN ARG 55 21.648 -2.731 -3.501 1049 HA ARG 55 HA ARG 55 23.390 -4.742 -4.745 1050 HB2 ARG 55 HB2 ARG 55 21.207 -3.925 -5.848 1051 HB3 ARG 55 HB1 ARG 55 22.065 -2.421 -6.144 1052 HG2 ARG 55 HG2 ARG 55 23.249 -5.011 -7.044 1053 HG3 ARG 55 HG1 ARG 55 21.963 -4.253 -7.980 1054 HD2 ARG 55 HD2 ARG 55 24.614 -3.017 -7.246 1055 HD3 ARG 55 HD1 ARG 55 24.142 -3.607 -8.836 1056 HE ARG 55 HE ARG 55 22.256 -1.721 -8.131 1057 HH11 ARG 55 HH11 ARG 55 25.720 -1.795 -8.605 1058 HH12 ARG 55 HH12 ARG 55 25.804 -0.148 -9.162 1059 HH21 ARG 55 HH21 ARG 55 22.367 0.462 -8.828 1060 HH22 ARG 55 HH22 ARG 55 23.904 1.129 -9.297 1061 H ASP 56 HN ASP 56 25.466 -4.312 -4.517 1062 HA ASP 56 HA ASP 56 27.477 -3.256 -4.571 1063 HB2 ASP 56 HB2 ASP 56 25.770 -1.330 -6.030 1064 HB3 ASP 56 HB1 ASP 56 27.246 -0.672 -5.333 1065 H GLY 57 HN GLY 57 25.467 -0.435 -3.838 1066 HA2 GLY 57 HA2 GLY 57 26.029 -0.587 -1.010 1067 HA3 GLY 57 HA1 GLY 57 26.903 0.694 -1.842 1068 H ASN 58 HN ASN 58 23.786 -0.261 -2.988 1069 HA ASN 58 HA ASN 58 22.587 2.135 -1.768 1070 HB2 ASN 58 HB2 ASN 58 22.816 1.393 -4.609 1071 HB3 ASN 58 HB1 ASN 58 21.190 1.848 -4.111 1072 HD21 ASN 58 HD21 ASN 58 22.927 3.236 -5.912 1073 HD22 ASN 58 HD22 ASN 58 23.207 4.803 -5.238 1074 HA PRO 59 HA PRO 59 19.448 -0.738 -0.499 1075 HB2 PRO 59 HB2 PRO 59 17.585 1.057 0.332 1076 HB3 PRO 59 HB1 PRO 59 19.072 0.739 1.244 1077 HG2 PRO 59 HG2 PRO 59 18.419 3.007 -0.556 1078 HG3 PRO 59 HG1 PRO 59 19.315 3.000 0.975 1079 HD2 PRO 59 HD2 PRO 59 20.513 3.089 -1.483 1080 HD3 PRO 59 HD1 PRO 59 21.283 2.436 -0.026 1081 H TYR 60 HN TYR 60 18.310 -1.842 -1.962 1082 HA TYR 60 HA TYR 60 16.564 -0.347 -3.803 1083 HB2 TYR 60 HB2 TYR 60 18.160 -2.867 -4.175 1084 HB3 TYR 60 HB1 TYR 60 16.732 -2.567 -5.153 1085 HD1 TYR 60 HD1 TYR 60 17.724 0.630 -4.845 1086 HD2 TYR 60 HD2 TYR 60 19.194 -3.004 -6.487 1087 HE1 TYR 60 HE1 TYR 60 19.087 1.909 -6.442 1088 HE2 TYR 60 HE2 TYR 60 20.554 -1.741 -8.087 1089 HH TYR 60 HH TYR 60 20.368 1.779 -8.298 1090 H ALA 61 HN ALA 61 14.724 -1.796 -4.600 1091 HA ALA 61 HA ALA 61 13.662 -3.393 -2.368 1092 HB1 ALA 61 HB1 ALA 61 11.411 -2.454 -2.892 1093 HB2 ALA 61 HB2 ALA 61 12.196 -1.304 -3.976 1094 HB3 ALA 61 HB3 ALA 61 12.546 -1.269 -2.248 1095 H VAL 62 HN VAL 62 11.489 -4.446 -3.288 1096 HA VAL 62 HA VAL 62 12.216 -5.731 -5.836 1097 HB VAL 62 HB VAL 62 10.491 -7.010 -3.721 1098 HG11 VAL 62 HG11 VAL 62 11.130 -9.075 -4.846 1099 HG12 VAL 62 HG12 VAL 62 12.141 -8.160 -5.967 1100 HG13 VAL 62 HG13 VAL 62 10.391 -7.940 -5.977 1101 HG21 VAL 62 HG21 VAL 62 12.607 -6.531 -2.637 1102 HG22 VAL 62 HG22 VAL 62 13.486 -7.245 -3.988 1103 HG23 VAL 62 HG23 VAL 62 12.472 -8.259 -2.960 1104 H CYS 63 HN CYS 63 10.821 -5.344 -7.445 1105 HA CYS 63 HA CYS 63 8.380 -3.923 -6.945 1106 HB2 CYS 63 HB2 CYS 63 8.121 -4.024 -9.421 1107 HB3 CYS 63 HB1 CYS 63 9.668 -3.360 -8.909 1108 H ASP 64 HN ASP 64 6.408 -4.688 -8.311 1109 HA ASP 64 HA ASP 64 5.357 -6.980 -7.089 1110 HB2 ASP 64 HB2 ASP 64 3.863 -5.280 -7.847 1111 HB3 ASP 64 HB1 ASP 64 4.469 -5.385 -9.494 1112 H LYS 65 HN LYS 65 7.184 -6.575 -9.996 1113 HA LYS 65 HA LYS 65 6.408 -8.998 -11.288 1114 HB2 LYS 65 HB2 LYS 65 8.929 -7.369 -11.668 1115 HB3 LYS 65 HB1 LYS 65 8.277 -8.559 -12.785 1116 HG2 LYS 65 HG2 LYS 65 6.582 -7.172 -13.487 1117 HG3 LYS 65 HG1 LYS 65 6.615 -6.207 -12.011 1118 HD2 LYS 65 HD2 LYS 65 7.538 -4.850 -13.729 1119 HD3 LYS 65 HD1 LYS 65 8.890 -5.387 -12.731 1120 HE2 LYS 65 HE2 LYS 65 8.125 -6.970 -15.144 1121 HE3 LYS 65 HE1 LYS 65 9.045 -5.483 -15.347 1122 HZ1 LYS 65 HZ1 LYS 65 10.675 -6.440 -13.716 1123 HZ2 LYS 65 HZ2 LYS 65 10.584 -7.248 -15.202 1124 HZ3 LYS 65 HZ3 LYS 65 9.841 -7.909 -13.839 1125 H CYS 66 HN CYS 66 9.447 -8.048 -9.685 1126 HA CYS 66 HA CYS 66 10.456 -10.709 -9.676 1127 HB2 CYS 66 HB2 CYS 66 11.503 -8.518 -7.919 1128 HB3 CYS 66 HB1 CYS 66 12.386 -9.806 -8.732 1129 H LEU 67 HN LEU 67 8.489 -8.905 -7.485 1130 HA LEU 67 HA LEU 67 9.046 -9.969 -5.022 1131 HB2 LEU 67 HB2 LEU 67 7.060 -8.405 -6.085 1132 HB3 LEU 67 HB1 LEU 67 6.174 -9.830 -5.581 1133 HG LEU 67 HG LEU 67 8.022 -8.381 -3.700 1134 HD11 LEU 67 HD11 LEU 67 5.086 -7.859 -4.154 1135 HD12 LEU 67 HD12 LEU 67 6.410 -6.742 -4.495 1136 HD13 LEU 67 HD13 LEU 67 6.053 -7.207 -2.831 1137 HD21 LEU 67 HD21 LEU 67 7.300 -10.665 -3.120 1138 HD22 LEU 67 HD22 LEU 67 5.620 -10.137 -3.222 1139 HD23 LEU 67 HD23 LEU 67 6.686 -9.453 -1.995 1140 H LYS 68 HN LYS 68 6.896 -11.412 -7.465 1141 HA LYS 68 HA LYS 68 6.366 -13.711 -5.809 1142 HB2 LYS 68 HB2 LYS 68 5.281 -14.537 -8.014 1143 HB3 LYS 68 HB1 LYS 68 4.532 -13.231 -7.111 1144 HG2 LYS 68 HG2 LYS 68 5.697 -11.631 -8.650 1145 HG3 LYS 68 HG1 LYS 68 6.168 -13.026 -9.625 1146 HD2 LYS 68 HD2 LYS 68 3.875 -13.595 -10.024 1147 HD3 LYS 68 HD1 LYS 68 3.323 -12.364 -8.886 1148 HE2 LYS 68 HE2 LYS 68 4.348 -10.644 -10.362 1149 HE3 LYS 68 HE1 LYS 68 4.700 -11.920 -11.529 1150 HZ1 LYS 68 HZ1 LYS 68 2.645 -10.765 -12.054 1151 HZ2 LYS 68 HZ2 LYS 68 2.000 -11.176 -10.548 1152 HZ3 LYS 68 HZ3 LYS 68 2.339 -12.387 -11.678 1153 H PHE 69 HN PHE 69 8.686 -12.871 -8.218 1154 HA PHE 69 HA PHE 69 9.328 -15.577 -8.922 1155 HB2 PHE 69 HB2 PHE 69 10.581 -12.916 -9.521 1156 HB3 PHE 69 HB1 PHE 69 11.436 -14.410 -9.889 1157 HD1 PHE 69 HD2 PHE 69 9.611 -16.211 -11.000 1158 HD2 PHE 69 HD1 PHE 69 9.644 -11.967 -11.403 1159 HE1 PHE 69 HE2 PHE 69 8.394 -16.401 -13.124 1160 HE2 PHE 69 HE1 PHE 69 8.424 -12.159 -13.535 1161 HZ PHE 69 HZ PHE 69 7.799 -14.383 -14.395 1162 H TYR 70 HN TYR 70 10.745 -13.105 -6.828 1163 HA TYR 70 HA TYR 70 12.476 -15.194 -5.675 1164 HB2 TYR 70 HB2 TYR 70 12.938 -12.245 -6.081 1165 HB3 TYR 70 HB1 TYR 70 13.919 -13.206 -4.979 1166 HD1 TYR 70 HD1 TYR 70 13.097 -12.564 -8.495 1167 HD2 TYR 70 HD2 TYR 70 15.496 -14.848 -5.819 1168 HE1 TYR 70 HE1 TYR 70 14.544 -13.234 -10.371 1169 HE2 TYR 70 HE2 TYR 70 16.941 -15.519 -7.688 1170 HH TYR 70 HH TYR 70 16.820 -14.023 -10.740 Start of MODEL 4 1 H MET 1 HT1 MET 1 -23.286 -4.366 -5.456 2 HA MET 1 HA MET 1 -25.480 -4.419 -4.574 3 HB2 MET 1 HB2 MET 1 -26.858 -6.386 -4.644 4 HB3 MET 1 HB1 MET 1 -26.350 -6.028 -6.286 5 HG2 MET 1 HG2 MET 1 -24.485 -7.736 -5.870 6 HG3 MET 1 HG1 MET 1 -25.442 -8.235 -4.480 7 HE1 MET 1 HE1 MET 1 -28.751 -9.481 -6.132 8 HE2 MET 1 HE2 MET 1 -28.430 -7.861 -5.515 9 HE3 MET 1 HE3 MET 1 -27.853 -9.272 -4.627 10 H PHE 2 HN PHE 2 -25.721 -4.904 -2.390 11 HA PHE 2 HA PHE 2 -23.758 -6.753 -1.250 12 HB2 PHE 2 HB2 PHE 2 -23.877 -3.849 -0.866 13 HB3 PHE 2 HB1 PHE 2 -23.845 -4.762 0.640 14 HD1 PHE 2 HD1 PHE 2 -22.025 -4.038 -2.472 15 HD2 PHE 2 HD2 PHE 2 -21.898 -5.939 1.337 16 HE1 PHE 2 HE1 PHE 2 -19.594 -4.345 -2.705 17 HE2 PHE 2 HE2 PHE 2 -19.472 -6.246 1.108 18 HZ PHE 2 HZ PHE 2 -18.315 -5.447 -0.916 19 H GLN 3 HN GLN 3 -25.433 -8.192 -0.938 20 HA GLN 3 HA GLN 3 -27.263 -7.495 1.258 21 HB2 GLN 3 HB2 GLN 3 -28.551 -9.544 -0.030 22 HB3 GLN 3 HB1 GLN 3 -28.934 -7.843 -0.220 23 HG2 GLN 3 HG2 GLN 3 -28.790 -8.855 -2.381 24 HG3 GLN 3 HG1 GLN 3 -27.424 -7.761 -2.172 25 HE21 GLN 3 HE21 GLN 3 -28.434 -11.069 -2.461 26 HE22 GLN 3 HE22 GLN 3 -26.857 -11.735 -2.714 27 H ASP 4 HN ASP 4 -28.277 -10.061 1.676 28 HA ASP 4 HA ASP 4 -26.434 -11.223 3.383 29 HB2 ASP 4 HB2 ASP 4 -28.789 -11.724 3.550 30 HB3 ASP 4 HB1 ASP 4 -28.797 -12.446 1.948 31 HA PRO 5 HA PRO 5 -25.731 -12.982 4.243 32 HB2 PRO 5 HB2 PRO 5 -23.430 -14.239 4.803 33 HB3 PRO 5 HB1 PRO 5 -24.816 -15.116 4.128 34 HG2 PRO 5 HG2 PRO 5 -22.332 -14.199 2.791 35 HG3 PRO 5 HG1 PRO 5 -23.275 -15.679 2.537 36 HD2 PRO 5 HD2 PRO 5 -23.395 -13.396 0.950 37 HD3 PRO 5 HD1 PRO 5 -24.600 -14.697 0.989 38 H GLN 6 HN GLN 6 -23.761 -11.240 2.225 39 HA GLN 6 HA GLN 6 -21.746 -10.250 3.900 40 HB2 GLN 6 HB2 GLN 6 -23.137 -9.049 1.505 41 HB3 GLN 6 HB1 GLN 6 -21.814 -8.239 2.331 42 HG2 GLN 6 HG2 GLN 6 -20.821 -9.327 0.525 43 HG3 GLN 6 HG1 GLN 6 -20.461 -10.342 1.918 44 HE21 GLN 6 HE21 GLN 6 -23.549 -10.186 0.228 45 HE22 GLN 6 HE22 GLN 6 -23.496 -11.804 -0.378 46 H GLU 7 HN GLU 7 -21.771 -8.915 5.560 47 HA GLU 7 HA GLU 7 -24.334 -7.713 6.325 48 HB2 GLU 7 HB2 GLU 7 -22.968 -9.237 7.865 49 HB3 GLU 7 HB1 GLU 7 -21.853 -7.888 8.026 50 HG2 GLU 7 HG2 GLU 7 -23.644 -8.194 9.823 51 HG3 GLU 7 HG1 GLU 7 -23.400 -6.579 9.162 52 H ARG 8 HN ARG 8 -21.601 -6.854 4.728 53 HA ARG 8 HA ARG 8 -20.745 -4.872 4.010 54 HB2 ARG 8 HB2 ARG 8 -23.042 -3.552 5.472 55 HB3 ARG 8 HB1 ARG 8 -22.044 -2.830 4.220 56 HG2 ARG 8 HG2 ARG 8 -23.184 -3.833 2.547 57 HG3 ARG 8 HG1 ARG 8 -23.460 -5.310 3.476 58 HD2 ARG 8 HD2 ARG 8 -24.906 -2.689 3.869 59 HD3 ARG 8 HD1 ARG 8 -25.553 -4.099 3.031 60 HE ARG 8 HE ARG 8 -24.748 -4.855 5.618 61 HH11 ARG 8 HH11 ARG 8 -27.196 -2.889 4.071 62 HH12 ARG 8 HH12 ARG 8 -28.385 -3.190 5.298 63 HH21 ARG 8 HH21 ARG 8 -26.320 -5.270 7.227 64 HH22 ARG 8 HH22 ARG 8 -27.892 -4.538 7.088 65 HA PRO 9 HA PRO 9 -18.793 -4.504 8.220 66 HB2 PRO 9 HB2 PRO 9 -16.362 -4.736 6.552 67 HB3 PRO 9 HB1 PRO 9 -16.817 -5.633 8.012 68 HG2 PRO 9 HG2 PRO 9 -16.832 -6.791 5.626 69 HG3 PRO 9 HG1 PRO 9 -18.049 -7.178 6.859 70 HD2 PRO 9 HD2 PRO 9 -18.303 -5.438 4.442 71 HD3 PRO 9 HD1 PRO 9 -19.466 -6.592 5.131 72 H ARG 10 HN ARG 10 -17.460 -2.809 9.025 73 HA ARG 10 HA ARG 10 -17.560 -0.424 7.328 74 HB2 ARG 10 HB2 ARG 10 -17.474 -0.898 10.281 75 HB3 ARG 10 HB1 ARG 10 -16.912 0.641 9.647 76 HG2 ARG 10 HG2 ARG 10 -19.230 0.780 10.355 77 HG3 ARG 10 HG1 ARG 10 -19.093 1.021 8.613 78 HD2 ARG 10 HD2 ARG 10 -20.170 -0.933 8.126 79 HD3 ARG 10 HD1 ARG 10 -19.582 -1.743 9.577 80 HE ARG 10 HE ARG 10 -21.332 0.219 10.432 81 HH11 ARG 10 HH11 ARG 10 -21.526 -2.633 8.385 82 HH12 ARG 10 HH12 ARG 10 -23.160 -2.997 8.850 83 HH21 ARG 10 HH21 ARG 10 -23.485 -0.252 11.007 84 HH22 ARG 10 HH22 ARG 10 -24.275 -1.637 10.327 85 H LYS 11 HN LYS 11 -15.436 -2.791 7.925 86 HA LYS 11 HA LYS 11 -13.119 -0.987 7.745 87 HB2 LYS 11 HB2 LYS 11 -13.470 -3.587 9.187 88 HB3 LYS 11 HB1 LYS 11 -11.879 -3.152 8.577 89 HG2 LYS 11 HG2 LYS 11 -13.530 -1.457 10.440 90 HG3 LYS 11 HG1 LYS 11 -12.217 -2.528 10.933 91 HD2 LYS 11 HD2 LYS 11 -10.685 -1.230 9.466 92 HD3 LYS 11 HD1 LYS 11 -12.010 -0.110 9.143 93 HE2 LYS 11 HE2 LYS 11 -12.140 0.445 11.511 94 HE3 LYS 11 HE1 LYS 11 -10.858 -0.712 11.865 95 HZ1 LYS 11 HZ1 LYS 11 -9.442 0.642 10.318 96 HZ2 LYS 11 HZ2 LYS 11 -9.839 1.389 11.783 97 HZ3 LYS 11 HZ3 LYS 11 -10.652 1.825 10.355 98 H LEU 12 HN LEU 12 -11.734 -1.249 6.111 99 HA LEU 12 HA LEU 12 -12.541 -2.413 3.740 100 HB2 LEU 12 HB2 LEU 12 -10.807 -0.593 4.175 101 HB3 LEU 12 HB1 LEU 12 -9.665 -1.901 4.394 102 HG LEU 12 HG LEU 12 -10.205 -2.682 2.078 103 HD11 LEU 12 HD11 LEU 12 -11.781 -0.113 2.038 104 HD12 LEU 12 HD12 LEU 12 -12.382 -1.747 1.760 105 HD13 LEU 12 HD13 LEU 12 -11.297 -0.996 0.591 106 HD21 LEU 12 HD21 LEU 12 -8.933 -0.895 0.967 107 HD22 LEU 12 HD22 LEU 12 -8.226 -1.352 2.514 108 HD23 LEU 12 HD23 LEU 12 -9.165 0.133 2.380 109 HA PRO 13 HA PRO 13 -9.268 -6.028 4.484 110 HB2 PRO 13 HB2 PRO 13 -9.272 -6.777 7.177 111 HB3 PRO 13 HB1 PRO 13 -7.979 -5.885 6.358 112 HG2 PRO 13 HG2 PRO 13 -10.179 -4.863 8.068 113 HG3 PRO 13 HG1 PRO 13 -8.490 -4.333 7.954 114 HD2 PRO 13 HD2 PRO 13 -10.445 -2.922 6.815 115 HD3 PRO 13 HD1 PRO 13 -8.863 -3.105 6.024 116 H GLN 14 HN GLN 14 -11.990 -5.733 6.766 117 HA GLN 14 HA GLN 14 -12.743 -8.470 6.494 118 HB2 GLN 14 HB2 GLN 14 -13.244 -6.858 8.444 119 HB3 GLN 14 HB1 GLN 14 -14.591 -6.307 7.458 120 HG2 GLN 14 HG2 GLN 14 -15.570 -8.487 7.458 121 HG3 GLN 14 HG1 GLN 14 -14.154 -9.173 8.247 122 HE21 GLN 14 HE21 GLN 14 -13.879 -6.889 10.055 123 HE22 GLN 14 HE22 GLN 14 -15.124 -7.066 11.233 124 H LEU 15 HN LEU 15 -13.581 -5.502 4.858 125 HA LEU 15 HA LEU 15 -15.924 -6.404 3.566 126 HB2 LEU 15 HB2 LEU 15 -15.174 -4.013 3.734 127 HB3 LEU 15 HB1 LEU 15 -13.947 -4.368 2.532 128 HG LEU 15 HG LEU 15 -15.756 -4.970 0.927 129 HD11 LEU 15 HD11 LEU 15 -17.501 -5.568 2.478 130 HD12 LEU 15 HD12 LEU 15 -18.048 -4.235 1.461 131 HD13 LEU 15 HD13 LEU 15 -17.538 -3.926 3.122 132 HD21 LEU 15 HD21 LEU 15 -16.347 -2.719 0.393 133 HD22 LEU 15 HD22 LEU 15 -14.710 -2.707 1.048 134 HD23 LEU 15 HD23 LEU 15 -16.066 -2.195 2.052 135 H CYS 16 HN CYS 16 -12.512 -6.707 2.855 136 HA CYS 16 HA CYS 16 -12.684 -7.594 0.197 137 HB2 CYS 16 HB2 CYS 16 -10.629 -8.415 2.262 138 HB3 CYS 16 HB1 CYS 16 -10.441 -8.470 0.512 139 HG CYS 16 HG CYS 16 -10.965 -5.527 2.167 140 H THR 17 HN THR 17 -12.865 -9.310 3.280 141 HA THR 17 HA THR 17 -12.928 -11.927 2.240 142 HB THR 17 HB THR 17 -14.397 -11.130 4.740 143 HG1 THR 17 HG1 THR 17 -11.903 -11.657 5.396 144 HG21 THR 17 HG21 THR 17 -12.684 -13.512 4.013 145 HG22 THR 17 HG22 THR 17 -14.446 -13.484 4.074 146 HG23 THR 17 HG23 THR 17 -13.510 -13.272 5.553 147 H GLU 18 HN GLU 18 -15.422 -9.509 2.781 148 HA GLU 18 HA GLU 18 -17.664 -11.190 2.330 149 HB2 GLU 18 HB2 GLU 18 -17.395 -8.197 1.999 150 HB3 GLU 18 HB1 GLU 18 -18.913 -9.081 2.062 151 HG2 GLU 18 HG2 GLU 18 -16.968 -9.300 4.310 152 HG3 GLU 18 HG1 GLU 18 -18.016 -7.889 4.178 153 H LEU 19 HN LEU 19 -15.621 -9.226 0.254 154 HA LEU 19 HA LEU 19 -17.221 -9.722 -2.094 155 HB2 LEU 19 HB2 LEU 19 -14.581 -8.380 -1.599 156 HB3 LEU 19 HB1 LEU 19 -15.140 -8.698 -3.228 157 HG LEU 19 HG LEU 19 -16.716 -7.091 -1.226 158 HD11 LEU 19 HD11 LEU 19 -14.930 -6.087 -3.438 159 HD12 LEU 19 HD12 LEU 19 -14.552 -6.022 -1.717 160 HD13 LEU 19 HD13 LEU 19 -15.918 -5.107 -2.353 161 HD21 LEU 19 HD21 LEU 19 -18.077 -8.031 -2.984 162 HD22 LEU 19 HD22 LEU 19 -16.944 -7.462 -4.209 163 HD23 LEU 19 HD23 LEU 19 -17.877 -6.301 -3.264 164 H GLN 20 HN GLN 20 -15.086 -11.524 -0.331 165 HA GLN 20 HA GLN 20 -14.025 -13.503 -0.629 166 HB2 GLN 20 HB2 GLN 20 -15.592 -13.582 -3.217 167 HB3 GLN 20 HB1 GLN 20 -14.737 -14.943 -2.502 168 HG2 GLN 20 HG2 GLN 20 -16.850 -13.496 -0.956 169 HG3 GLN 20 HG1 GLN 20 -17.280 -14.727 -2.144 170 HE21 GLN 20 HE21 GLN 20 -15.794 -14.098 0.936 171 HE22 GLN 20 HE22 GLN 20 -15.691 -15.752 1.442 172 H THR 21 HN THR 21 -12.646 -11.197 -1.302 173 HA THR 21 HA THR 21 -10.719 -12.286 -3.189 174 HB THR 21 HB THR 21 -12.297 -10.761 -4.463 175 HG1 THR 21 HG1 THR 21 -10.597 -9.851 -5.620 176 HG21 THR 21 HG21 THR 21 -10.946 -8.631 -2.798 177 HG22 THR 21 HG22 THR 21 -12.654 -9.069 -2.737 178 HG23 THR 21 HG23 THR 21 -11.984 -8.339 -4.196 179 H THR 22 HN THR 22 -8.894 -10.260 -3.258 180 HA THR 22 HA THR 22 -8.230 -9.964 -0.405 181 HB THR 22 HB THR 22 -5.876 -9.618 -1.249 182 HG1 THR 22 HG1 THR 22 -6.560 -10.920 -3.625 183 HG21 THR 22 HG21 THR 22 -6.614 -11.751 -0.295 184 HG22 THR 22 HG22 THR 22 -5.459 -12.006 -1.603 185 HG23 THR 22 HG23 THR 22 -7.180 -12.272 -1.883 186 H ILE 23 HN ILE 23 -6.643 -8.012 -0.093 187 HA ILE 23 HA ILE 23 -8.130 -5.651 -0.677 188 HB ILE 23 HB ILE 23 -5.325 -5.487 0.338 189 HG12 ILE 23 HG12 ILE 23 -7.657 -6.455 2.012 190 HG13 ILE 23 HG11 ILE 23 -6.318 -7.462 1.476 191 HG21 ILE 23 HG21 ILE 23 -6.285 -3.752 1.760 192 HG22 ILE 23 HG22 ILE 23 -7.895 -4.125 1.141 193 HG23 ILE 23 HG23 ILE 23 -6.667 -3.460 0.063 194 HD11 ILE 23 HD11 ILE 23 -4.769 -6.095 2.766 195 HD12 ILE 23 HD12 ILE 23 -6.038 -6.776 3.784 196 HD13 ILE 23 HD13 ILE 23 -6.108 -5.081 3.301 197 H HIS 24 HN HIS 24 -6.203 -7.365 -2.655 198 HA HIS 24 HA HIS 24 -4.933 -5.047 -3.924 199 HB2 HIS 24 HB2 HIS 24 -4.580 -7.974 -4.616 200 HB3 HIS 24 HB1 HIS 24 -3.597 -6.625 -5.178 201 HD1 HIS 24 HD1 HIS 24 -1.817 -5.682 -3.507 202 HD2 HIS 24 HD2 HIS 24 -4.037 -8.893 -2.067 203 HE1 HIS 24 HE1 HIS 24 -0.654 -6.469 -1.409 204 H ASP 25 HN ASP 25 -7.749 -6.823 -4.131 205 HA ASP 25 HA ASP 25 -8.044 -6.151 -6.986 206 HB2 ASP 25 HB2 ASP 25 -7.860 -8.579 -6.616 207 HB3 ASP 25 HB1 ASP 25 -9.240 -8.512 -5.527 208 H ILE 26 HN ILE 26 -9.228 -5.681 -3.849 209 HA ILE 26 HA ILE 26 -11.973 -5.285 -4.444 210 HB ILE 26 HB ILE 26 -11.393 -5.680 -2.167 211 HG12 ILE 26 HG12 ILE 26 -12.172 -2.764 -2.369 212 HG13 ILE 26 HG11 ILE 26 -13.281 -4.105 -2.632 213 HG21 ILE 26 HG21 ILE 26 -9.964 -4.286 -0.840 214 HG22 ILE 26 HG22 ILE 26 -9.767 -3.145 -2.171 215 HG23 ILE 26 HG23 ILE 26 -9.090 -4.767 -2.294 216 HD11 ILE 26 HD11 ILE 26 -13.303 -2.999 -0.356 217 HD12 ILE 26 HD12 ILE 26 -11.752 -3.789 -0.075 218 HD13 ILE 26 HD13 ILE 26 -13.193 -4.758 -0.390 219 H ILE 27 HN ILE 27 -12.837 -3.738 -5.642 220 HA ILE 27 HA ILE 27 -11.387 -1.187 -5.911 221 HB ILE 27 HB ILE 27 -13.438 -2.322 -7.819 222 HG12 ILE 27 HG12 ILE 27 -11.382 -3.690 -7.783 223 HG13 ILE 27 HG11 ILE 27 -11.577 -2.836 -9.309 224 HG21 ILE 27 HG21 ILE 27 -13.350 0.082 -7.901 225 HG22 ILE 27 HG22 ILE 27 -12.589 -0.576 -9.348 226 HG23 ILE 27 HG23 ILE 27 -11.593 0.053 -8.034 227 HD11 ILE 27 HD11 ILE 27 -9.952 -1.156 -8.549 228 HD12 ILE 27 HD12 ILE 27 -9.276 -2.783 -8.612 229 HD13 ILE 27 HD13 ILE 27 -9.726 -2.077 -7.060 230 H LEU 28 HN LEU 28 -12.240 0.455 -4.865 231 HA LEU 28 HA LEU 28 -15.167 0.594 -4.540 232 HB2 LEU 28 HB2 LEU 28 -13.114 0.550 -2.530 233 HB3 LEU 28 HB1 LEU 28 -13.920 2.105 -2.493 234 HG LEU 28 HG LEU 28 -16.102 0.914 -2.273 235 HD11 LEU 28 HD11 LEU 28 -16.116 -1.438 -1.673 236 HD12 LEU 28 HD12 LEU 28 -14.369 -1.522 -1.900 237 HD13 LEU 28 HD13 LEU 28 -15.422 -1.213 -3.278 238 HD21 LEU 28 HD21 LEU 28 -15.048 1.799 -0.305 239 HD22 LEU 28 HD22 LEU 28 -13.997 0.388 -0.182 240 HD23 LEU 28 HD23 LEU 28 -15.733 0.219 0.081 241 H GLU 29 HN GLU 29 -15.967 2.844 -4.297 242 HA GLU 29 HA GLU 29 -14.254 4.715 -5.788 243 HB2 GLU 29 HB2 GLU 29 -16.566 5.771 -6.384 244 HB3 GLU 29 HB1 GLU 29 -15.993 4.362 -7.263 245 HG2 GLU 29 HG2 GLU 29 -17.358 2.956 -5.689 246 HG3 GLU 29 HG1 GLU 29 -18.054 4.455 -5.078 247 H CYS 30 HN CYS 30 -14.459 6.971 -5.283 248 HA CYS 30 HA CYS 30 -14.493 7.476 -2.497 249 HB2 CYS 30 HB2 CYS 30 -13.099 8.781 -4.027 250 HB3 CYS 30 HB1 CYS 30 -14.533 9.419 -4.822 251 H VAL 31 HN VAL 31 -15.977 8.421 -1.203 252 HA VAL 31 HA VAL 31 -18.714 8.208 -1.952 253 HB VAL 31 HB VAL 31 -18.010 7.730 0.326 254 HG11 VAL 31 HG11 VAL 31 -17.432 9.646 1.847 255 HG12 VAL 31 HG12 VAL 31 -17.216 10.631 0.402 256 HG13 VAL 31 HG13 VAL 31 -16.195 9.218 0.665 257 HG21 VAL 31 HG21 VAL 31 -19.813 10.144 0.244 258 HG22 VAL 31 HG22 VAL 31 -19.729 8.943 1.532 259 HG23 VAL 31 HG23 VAL 31 -20.313 8.483 -0.068 260 H TYR 32 HN TYR 32 -16.432 10.861 -1.783 261 HA TYR 32 HA TYR 32 -18.596 12.795 -2.131 262 HB2 TYR 32 HB2 TYR 32 -15.639 13.206 -1.665 263 HB3 TYR 32 HB1 TYR 32 -16.821 14.502 -1.824 264 HD1 TYR 32 HD2 TYR 32 -18.945 14.140 -0.189 265 HD2 TYR 32 HD1 TYR 32 -15.017 12.662 0.481 266 HE1 TYR 32 HE2 TYR 32 -19.407 14.026 2.222 267 HE2 TYR 32 HE1 TYR 32 -15.464 12.541 2.898 268 HH TYR 32 HH TYR 32 -16.900 13.077 4.546 269 H CYS 33 HN CYS 33 -15.576 11.826 -3.748 270 HA CYS 33 HA CYS 33 -16.163 13.506 -6.021 271 HB2 CYS 33 HB2 CYS 33 -14.007 11.421 -5.955 272 HB3 CYS 33 HB1 CYS 33 -14.018 12.981 -6.774 273 H LYS 34 HN LYS 34 -16.766 10.250 -5.116 274 HA LYS 34 HA LYS 34 -17.717 8.474 -6.148 275 HB2 LYS 34 HB2 LYS 34 -18.758 10.657 -7.951 276 HB3 LYS 34 HB1 LYS 34 -19.264 8.977 -8.072 277 HG2 LYS 34 HG2 LYS 34 -20.882 9.538 -6.649 278 HG3 LYS 34 HG1 LYS 34 -19.626 9.515 -5.415 279 HD2 LYS 34 HD2 LYS 34 -19.203 11.931 -5.937 280 HD3 LYS 34 HD1 LYS 34 -20.648 11.897 -6.949 281 HE2 LYS 34 HE2 LYS 34 -22.029 11.378 -5.074 282 HE3 LYS 34 HE1 LYS 34 -20.624 11.130 -4.039 283 HZ1 LYS 34 HZ1 LYS 34 -21.525 13.258 -3.571 284 HZ2 LYS 34 HZ2 LYS 34 -21.553 13.693 -5.205 285 HZ3 LYS 34 HZ3 LYS 34 -20.073 13.503 -4.406 286 H GLN 35 HN GLN 35 -15.097 8.778 -6.696 287 HA GLN 35 HA GLN 35 -14.911 7.871 -9.486 288 HB2 GLN 35 HB2 GLN 35 -13.122 9.672 -7.900 289 HB3 GLN 35 HB1 GLN 35 -12.411 8.635 -9.130 290 HG2 GLN 35 HG2 GLN 35 -14.591 10.663 -9.575 291 HG3 GLN 35 HG1 GLN 35 -12.887 10.850 -10.003 292 HE21 GLN 35 HE21 GLN 35 -15.887 9.253 -10.763 293 HE22 GLN 35 HE22 GLN 35 -15.405 8.659 -12.315 294 H GLN 36 HN GLN 36 -13.812 5.994 -9.845 295 HA GLN 36 HA GLN 36 -13.580 4.187 -7.690 296 HB2 GLN 36 HB2 GLN 36 -12.754 4.056 -10.579 297 HB3 GLN 36 HB1 GLN 36 -12.404 2.739 -9.464 298 HG2 GLN 36 HG2 GLN 36 -14.735 2.412 -9.021 299 HG3 GLN 36 HG1 GLN 36 -15.156 3.842 -9.958 300 HE21 GLN 36 HE21 GLN 36 -12.704 1.583 -10.982 301 HE22 GLN 36 HE22 GLN 36 -13.594 0.918 -12.306 302 H LEU 37 HN LEU 37 -11.989 3.757 -6.363 303 HA LEU 37 HA LEU 37 -9.541 5.281 -6.523 304 HB2 LEU 37 HB2 LEU 37 -10.907 3.608 -4.487 305 HB3 LEU 37 HB1 LEU 37 -9.163 3.718 -4.376 306 HG LEU 37 HG LEU 37 -9.424 6.232 -4.334 307 HD11 LEU 37 HD11 LEU 37 -12.312 5.551 -3.812 308 HD12 LEU 37 HD12 LEU 37 -11.699 6.279 -5.298 309 HD13 LEU 37 HD13 LEU 37 -11.575 7.152 -3.771 310 HD21 LEU 37 HD21 LEU 37 -9.978 6.280 -1.985 311 HD22 LEU 37 HD22 LEU 37 -9.014 4.844 -2.331 312 HD23 LEU 37 HD23 LEU 37 -10.756 4.703 -2.101 313 H LEU 38 HN LEU 38 -7.500 4.485 -6.786 314 HA LEU 38 HA LEU 38 -7.300 1.917 -8.110 315 HB2 LEU 38 HB2 LEU 38 -5.228 4.042 -7.532 316 HB3 LEU 38 HB1 LEU 38 -4.937 2.592 -8.474 317 HG LEU 38 HG LEU 38 -6.952 4.709 -9.234 318 HD11 LEU 38 HD11 LEU 38 -4.162 4.276 -10.276 319 HD12 LEU 38 HD12 LEU 38 -4.682 5.613 -9.250 320 HD13 LEU 38 HD13 LEU 38 -5.333 5.450 -10.881 321 HD21 LEU 38 HD21 LEU 38 -6.918 3.605 -11.405 322 HD22 LEU 38 HD22 LEU 38 -7.407 2.479 -10.140 323 HD23 LEU 38 HD23 LEU 38 -5.770 2.414 -10.794 324 H ARG 39 HN ARG 39 -5.484 0.415 -7.433 325 HA ARG 39 HA ARG 39 -5.873 -0.358 -4.770 326 HB2 ARG 39 HB2 ARG 39 -4.388 -2.119 -5.158 327 HB3 ARG 39 HB1 ARG 39 -5.093 -1.791 -6.733 328 HG2 ARG 39 HG2 ARG 39 -3.055 -0.474 -7.293 329 HG3 ARG 39 HG1 ARG 39 -2.353 -1.002 -5.762 330 HD2 ARG 39 HD2 ARG 39 -2.882 -3.380 -6.577 331 HD3 ARG 39 HD1 ARG 39 -3.081 -2.646 -8.166 332 HE ARG 39 HE ARG 39 -0.583 -2.073 -6.791 333 HH11 ARG 39 HH11 ARG 39 -2.262 -4.067 -9.129 334 HH12 ARG 39 HH12 ARG 39 -0.812 -4.596 -9.910 335 HH21 ARG 39 HH21 ARG 39 1.336 -2.751 -7.834 336 HH22 ARG 39 HH22 ARG 39 1.228 -3.844 -9.180 337 H ARG 40 HN ARG 40 -3.799 1.998 -6.081 338 HA ARG 40 HA ARG 40 -1.691 2.009 -4.224 339 HB2 ARG 40 HB2 ARG 40 -1.502 3.266 -6.256 340 HB3 ARG 40 HB1 ARG 40 -2.941 4.202 -5.885 341 HG2 ARG 40 HG2 ARG 40 -1.662 5.101 -3.887 342 HG3 ARG 40 HG1 ARG 40 -0.225 4.374 -4.612 343 HD2 ARG 40 HD2 ARG 40 -0.615 6.809 -5.156 344 HD3 ARG 40 HD1 ARG 40 -0.401 5.741 -6.543 345 HE ARG 40 HE ARG 40 -3.138 6.286 -5.686 346 HH11 ARG 40 HH11 ARG 40 -0.540 7.121 -7.898 347 HH12 ARG 40 HH12 ARG 40 -1.616 7.708 -9.125 348 HH21 ARG 40 HH21 ARG 40 -4.540 7.031 -7.288 349 HH22 ARG 40 HH22 ARG 40 -3.892 7.664 -8.778 350 H GLU 41 HN GLU 41 -4.744 3.840 -4.266 351 HA GLU 41 HA GLU 41 -4.240 5.005 -1.694 352 HB2 GLU 41 HB2 GLU 41 -6.953 5.319 -2.154 353 HB3 GLU 41 HB1 GLU 41 -5.695 6.477 -2.549 354 HG2 GLU 41 HG2 GLU 41 -6.473 4.322 -4.478 355 HG3 GLU 41 HG1 GLU 41 -7.393 5.817 -4.357 356 H VAL 42 HN VAL 42 -5.855 2.188 -2.904 357 HA VAL 42 HA VAL 42 -7.491 1.578 -0.713 358 HB VAL 42 HB VAL 42 -6.104 -0.281 -2.661 359 HG11 VAL 42 HG11 VAL 42 -7.495 -2.045 -1.942 360 HG12 VAL 42 HG12 VAL 42 -8.482 -0.966 -0.959 361 HG13 VAL 42 HG13 VAL 42 -6.830 -1.340 -0.467 362 HG21 VAL 42 HG21 VAL 42 -8.288 -0.354 -3.764 363 HG22 VAL 42 HG22 VAL 42 -7.660 1.294 -3.699 364 HG23 VAL 42 HG23 VAL 42 -8.925 0.787 -2.581 365 H TYR 43 HN TYR 43 -4.079 0.861 -1.344 366 HA TYR 43 HA TYR 43 -3.703 -0.734 0.975 367 HB2 TYR 43 HB2 TYR 43 -1.652 0.822 -0.610 368 HB3 TYR 43 HB1 TYR 43 -1.296 -0.429 0.577 369 HD1 TYR 43 HD1 TYR 43 -3.608 -2.291 -0.286 370 HD2 TYR 43 HD2 TYR 43 -0.583 -0.235 -2.460 371 HE1 TYR 43 HE1 TYR 43 -3.739 -3.982 -2.063 372 HE2 TYR 43 HE2 TYR 43 -0.712 -1.922 -4.237 373 HH TYR 43 HH TYR 43 -3.233 -4.145 -4.479 374 H ASP 44 HN ASP 44 -3.533 2.700 0.342 375 HA ASP 44 HA ASP 44 -2.246 3.434 2.765 376 HB2 ASP 44 HB2 ASP 44 -2.700 4.823 0.574 377 HB3 ASP 44 HB1 ASP 44 -4.201 5.248 1.390 378 H PHE 45 HN PHE 45 -5.581 3.060 1.764 379 HA PHE 45 HA PHE 45 -6.860 3.986 4.081 380 HB2 PHE 45 HB2 PHE 45 -7.805 3.364 1.731 381 HB3 PHE 45 HB1 PHE 45 -7.966 1.749 2.404 382 HD1 PHE 45 HD2 PHE 45 -9.436 1.403 4.406 383 HD2 PHE 45 HD1 PHE 45 -9.355 5.052 2.224 384 HE1 PHE 45 HE2 PHE 45 -11.606 2.028 5.382 385 HE2 PHE 45 HE1 PHE 45 -11.526 5.687 3.194 386 HZ PHE 45 HZ PHE 45 -12.652 4.173 4.773 387 H ALA 46 HN ALA 46 -5.468 0.881 3.242 388 HA ALA 46 HA ALA 46 -6.493 -0.433 5.606 389 HB1 ALA 46 HB1 ALA 46 -5.250 -2.371 4.829 390 HB2 ALA 46 HB2 ALA 46 -4.445 -1.391 3.605 391 HB3 ALA 46 HB3 ALA 46 -6.184 -1.672 3.507 392 H PHE 47 HN PHE 47 -3.641 1.282 4.646 393 HA PHE 47 HA PHE 47 -1.933 0.313 6.720 394 HB2 PHE 47 HB2 PHE 47 -1.112 1.353 4.593 395 HB3 PHE 47 HB1 PHE 47 -1.717 2.904 5.168 396 HD1 PHE 47 HD1 PHE 47 0.692 0.194 5.909 397 HD2 PHE 47 HD2 PHE 47 -0.430 4.240 6.597 398 HE1 PHE 47 HE1 PHE 47 2.833 0.589 7.057 399 HE2 PHE 47 HE2 PHE 47 1.707 4.643 7.747 400 HZ PHE 47 HZ PHE 47 3.340 2.818 7.977 401 H ARG 48 HN ARG 48 -3.659 3.382 6.222 402 HA ARG 48 HA ARG 48 -3.221 4.177 8.970 403 HB2 ARG 48 HB2 ARG 48 -4.740 5.440 6.682 404 HB3 ARG 48 HB1 ARG 48 -4.641 6.154 8.287 405 HG2 ARG 48 HG2 ARG 48 -2.278 6.428 8.096 406 HG3 ARG 48 HG1 ARG 48 -2.242 5.503 6.595 407 HD2 ARG 48 HD2 ARG 48 -3.172 7.210 5.362 408 HD3 ARG 48 HD1 ARG 48 -3.941 7.950 6.766 409 HE ARG 48 HE ARG 48 -1.748 8.759 7.428 410 HH11 ARG 48 HH11 ARG 48 -2.072 7.609 4.116 411 HH12 ARG 48 HH12 ARG 48 -0.714 8.538 3.553 412 HH21 ARG 48 HH21 ARG 48 0.039 9.950 6.656 413 HH22 ARG 48 HH22 ARG 48 0.473 9.858 4.978 414 H ASP 49 HN ASP 49 -5.119 4.830 10.335 415 HA ASP 49 HA ASP 49 -7.126 2.724 10.167 416 HB2 ASP 49 HB2 ASP 49 -5.937 3.190 12.329 417 HB3 ASP 49 HB1 ASP 49 -6.777 4.738 12.388 418 H LEU 50 HN LEU 50 -8.706 3.216 8.811 419 HA LEU 50 HA LEU 50 -10.166 5.730 9.257 420 HB2 LEU 50 HB2 LEU 50 -9.527 4.434 6.601 421 HB3 LEU 50 HB1 LEU 50 -10.657 5.760 6.807 422 HG LEU 50 HG LEU 50 -7.762 5.991 7.610 423 HD11 LEU 50 HD11 LEU 50 -7.352 7.071 5.465 424 HD12 LEU 50 HD12 LEU 50 -9.000 6.705 4.955 425 HD13 LEU 50 HD13 LEU 50 -7.854 5.396 5.240 426 HD21 LEU 50 HD21 LEU 50 -8.218 8.390 7.361 427 HD22 LEU 50 HD22 LEU 50 -9.278 7.640 8.556 428 HD23 LEU 50 HD23 LEU 50 -9.893 8.018 6.949 429 H CYS 51 HN CYS 51 -12.389 5.513 8.053 430 HA CYS 51 HA CYS 51 -13.455 2.821 8.563 431 HB2 CYS 51 HB2 CYS 51 -15.606 4.121 9.194 432 HB3 CYS 51 HB1 CYS 51 -14.300 4.041 10.372 433 HG CYS 51 HG CYS 51 -14.024 6.578 10.668 434 H ILE 52 HN ILE 52 -15.125 2.117 7.190 435 HA ILE 52 HA ILE 52 -15.095 3.339 4.578 436 HB ILE 52 HB ILE 52 -16.585 0.923 5.611 437 HG12 ILE 52 HG12 ILE 52 -14.107 1.192 3.896 438 HG13 ILE 52 HG11 ILE 52 -14.168 0.613 5.559 439 HG21 ILE 52 HG21 ILE 52 -16.291 1.893 2.771 440 HG22 ILE 52 HG22 ILE 52 -17.767 1.964 3.733 441 HG23 ILE 52 HG23 ILE 52 -17.079 0.402 3.286 442 HD11 ILE 52 HD11 ILE 52 -13.990 -1.104 3.683 443 HD12 ILE 52 HD12 ILE 52 -15.690 -0.754 3.379 444 HD13 ILE 52 HD13 ILE 52 -15.186 -1.385 4.946 445 H VAL 53 HN VAL 53 -16.510 4.746 3.826 446 HA VAL 53 HA VAL 53 -18.825 5.438 5.450 447 HB VAL 53 HB VAL 53 -19.011 7.220 3.492 448 HG11 VAL 53 HG11 VAL 53 -17.581 8.728 4.811 449 HG12 VAL 53 HG12 VAL 53 -16.954 7.337 5.696 450 HG13 VAL 53 HG13 VAL 53 -18.658 7.771 5.825 451 HG21 VAL 53 HG21 VAL 53 -16.079 6.489 3.443 452 HG22 VAL 53 HG22 VAL 53 -16.817 7.866 2.625 453 HG23 VAL 53 HG23 VAL 53 -17.229 6.223 2.135 454 H TYR 54 HN TYR 54 -20.849 4.903 4.925 455 HA TYR 54 HA TYR 54 -21.248 3.544 2.350 456 HB2 TYR 54 HB2 TYR 54 -22.475 3.188 5.056 457 HB3 TYR 54 HB1 TYR 54 -23.387 2.719 3.624 458 HD1 TYR 54 HD2 TYR 54 -20.204 2.117 5.447 459 HD2 TYR 54 HD1 TYR 54 -22.943 0.701 2.517 460 HE1 TYR 54 HE2 TYR 54 -18.993 -0.023 5.356 461 HE2 TYR 54 HE1 TYR 54 -21.741 -1.438 2.416 462 HH TYR 54 HH TYR 54 -19.052 -2.147 4.602 463 H ARG 55 HN ARG 55 -22.115 4.793 0.878 464 HA ARG 55 HA ARG 55 -23.973 6.922 1.671 465 HB2 ARG 55 HB2 ARG 55 -21.961 7.314 0.118 466 HB3 ARG 55 HB1 ARG 55 -22.873 6.432 -1.098 467 HG2 ARG 55 HG2 ARG 55 -24.249 8.690 0.234 468 HG3 ARG 55 HG1 ARG 55 -22.936 9.081 -0.878 469 HD2 ARG 55 HD2 ARG 55 -25.256 7.289 -1.578 470 HD3 ARG 55 HD1 ARG 55 -25.216 9.017 -1.915 471 HE ARG 55 HE ARG 55 -23.386 7.024 -3.096 472 HH11 ARG 55 HH11 ARG 55 -25.072 10.098 -3.225 473 HH12 ARG 55 HH12 ARG 55 -24.572 10.448 -4.847 474 HH21 ARG 55 HH21 ARG 55 -22.742 7.474 -5.241 475 HH22 ARG 55 HH22 ARG 55 -23.254 8.954 -6.001 476 H ASP 56 HN ASP 56 -26.027 6.357 1.718 477 HA ASP 56 HA ASP 56 -28.044 5.459 1.221 478 HB2 ASP 56 HB2 ASP 56 -27.440 6.459 -1.064 479 HB3 ASP 56 HB1 ASP 56 -27.019 4.817 -1.545 480 H GLY 57 HN GLY 57 -25.639 3.840 2.040 481 HA2 GLY 57 HA2 GLY 57 -25.706 1.655 2.923 482 HA3 GLY 57 HA1 GLY 57 -26.930 1.239 1.736 483 H ASN 58 HN ASN 58 -24.842 2.799 -0.102 484 HA ASN 58 HA ASN 58 -23.569 0.345 -0.989 485 HB2 ASN 58 HB2 ASN 58 -24.469 2.706 -2.265 486 HB3 ASN 58 HB1 ASN 58 -22.723 2.658 -2.482 487 HD21 ASN 58 HD21 ASN 58 -24.929 2.302 -4.397 488 HD22 ASN 58 HD22 ASN 58 -24.642 0.775 -5.148 489 HA PRO 59 HA PRO 59 -19.819 1.193 1.219 490 HB2 PRO 59 HB2 PRO 59 -18.170 -0.500 -0.147 491 HB3 PRO 59 HB1 PRO 59 -19.359 -1.056 1.049 492 HG2 PRO 59 HG2 PRO 59 -19.556 -1.025 -1.924 493 HG3 PRO 59 HG1 PRO 59 -20.047 -2.283 -0.772 494 HD2 PRO 59 HD2 PRO 59 -21.821 -0.580 -1.882 495 HD3 PRO 59 HD1 PRO 59 -22.017 -1.216 -0.236 496 H TYR 60 HN TYR 60 -18.817 3.053 0.956 497 HA TYR 60 HA TYR 60 -17.484 3.599 -1.612 498 HB2 TYR 60 HB2 TYR 60 -19.032 5.407 0.214 499 HB3 TYR 60 HB1 TYR 60 -17.731 6.065 -0.769 500 HD1 TYR 60 HD2 TYR 60 -21.074 4.564 -0.824 501 HD2 TYR 60 HD1 TYR 60 -17.958 6.267 -3.159 502 HE1 TYR 60 HE2 TYR 60 -22.625 4.794 -2.716 503 HE2 TYR 60 HE1 TYR 60 -19.499 6.504 -5.057 504 HH TYR 60 HH TYR 60 -21.573 5.539 -5.876 505 H ALA 61 HN ALA 61 -15.581 5.064 -1.364 506 HA ALA 61 HA ALA 61 -14.254 4.632 1.233 507 HB1 ALA 61 HB1 ALA 61 -13.320 3.074 -0.361 508 HB2 ALA 61 HB2 ALA 61 -12.131 4.324 0.002 509 HB3 ALA 61 HB3 ALA 61 -13.031 4.377 -1.514 510 H VAL 62 HN VAL 62 -12.063 6.024 1.073 511 HA VAL 62 HA VAL 62 -12.893 8.759 0.364 512 HB VAL 62 HB VAL 62 -10.901 7.967 2.505 513 HG11 VAL 62 HG11 VAL 62 -11.089 10.262 3.241 514 HG12 VAL 62 HG12 VAL 62 -12.291 10.591 1.995 515 HG13 VAL 62 HG13 VAL 62 -10.628 10.222 1.538 516 HG21 VAL 62 HG21 VAL 62 -13.117 7.159 3.127 517 HG22 VAL 62 HG22 VAL 62 -13.794 8.761 2.833 518 HG23 VAL 62 HG23 VAL 62 -12.637 8.519 4.140 519 H CYS 63 HN CYS 63 -11.730 9.643 -1.243 520 HA CYS 63 HA CYS 63 -9.461 8.276 -2.330 521 HB2 CYS 63 HB2 CYS 63 -9.447 10.101 -3.980 522 HB3 CYS 63 HB1 CYS 63 -11.057 9.414 -3.784 523 H ASP 64 HN ASP 64 -7.622 9.881 -3.092 524 HA ASP 64 HA ASP 64 -6.156 10.555 -0.748 525 HB2 ASP 64 HB2 ASP 64 -5.185 9.704 -2.912 526 HB3 ASP 64 HB1 ASP 64 -5.502 11.286 -3.610 527 H LYS 65 HN LYS 65 -8.385 12.245 -2.679 528 HA LYS 65 HA LYS 65 -7.380 14.893 -2.089 529 HB2 LYS 65 HB2 LYS 65 -10.046 14.071 -3.260 530 HB3 LYS 65 HB1 LYS 65 -9.358 15.688 -3.268 531 HG2 LYS 65 HG2 LYS 65 -8.056 15.263 -5.041 532 HG3 LYS 65 HG1 LYS 65 -7.659 13.637 -4.490 533 HD2 LYS 65 HD2 LYS 65 -8.887 13.289 -6.454 534 HD3 LYS 65 HD1 LYS 65 -10.058 13.026 -5.161 535 HE2 LYS 65 HE2 LYS 65 -9.762 15.722 -6.433 536 HE3 LYS 65 HE1 LYS 65 -10.735 14.468 -7.200 537 HZ1 LYS 65 HZ1 LYS 65 -11.139 15.621 -4.497 538 HZ2 LYS 65 HZ2 LYS 65 -12.015 14.309 -5.107 539 HZ3 LYS 65 HZ3 LYS 65 -12.137 15.826 -5.846 540 H CYS 66 HN CYS 66 -10.258 12.986 -1.253 541 HA CYS 66 HA CYS 66 -11.173 14.829 0.716 542 HB2 CYS 66 HB2 CYS 66 -11.977 11.938 0.358 543 HB3 CYS 66 HB1 CYS 66 -12.904 13.212 1.145 544 H LEU 67 HN LEU 67 -8.876 12.314 0.719 545 HA LEU 67 HA LEU 67 -8.926 11.244 3.234 546 HB2 LEU 67 HB2 LEU 67 -7.378 10.647 1.395 547 HB3 LEU 67 HB1 LEU 67 -6.454 12.095 1.734 548 HG LEU 67 HG LEU 67 -6.110 11.151 4.079 549 HD11 LEU 67 HD11 LEU 67 -7.093 8.658 2.700 550 HD12 LEU 67 HD12 LEU 67 -7.845 9.469 4.074 551 HD13 LEU 67 HD13 LEU 67 -6.268 8.702 4.258 552 HD21 LEU 67 HD21 LEU 67 -4.264 9.713 3.338 553 HD22 LEU 67 HD22 LEU 67 -4.336 11.216 2.419 554 HD23 LEU 67 HD23 LEU 67 -4.925 9.716 1.704 555 H LYS 68 HN LYS 68 -7.311 14.285 2.322 556 HA LYS 68 HA LYS 68 -6.508 14.801 5.044 557 HB2 LYS 68 HB2 LYS 68 -5.716 17.003 4.094 558 HB3 LYS 68 HB1 LYS 68 -4.977 15.562 3.423 559 HG2 LYS 68 HG2 LYS 68 -7.330 16.485 1.948 560 HG3 LYS 68 HG1 LYS 68 -5.985 17.624 1.967 561 HD2 LYS 68 HD2 LYS 68 -4.533 15.597 1.320 562 HD3 LYS 68 HD1 LYS 68 -6.062 14.817 0.913 563 HE2 LYS 68 HE2 LYS 68 -5.231 15.771 -1.094 564 HE3 LYS 68 HE1 LYS 68 -6.567 16.789 -0.561 565 HZ1 LYS 68 HZ1 LYS 68 -4.656 18.082 -1.306 566 HZ2 LYS 68 HZ2 LYS 68 -3.688 17.380 -0.114 567 HZ3 LYS 68 HZ3 LYS 68 -4.985 18.369 0.325 568 H PHE 69 HN PHE 69 -9.363 15.294 3.315 569 HA PHE 69 HA PHE 69 -10.138 17.766 4.523 570 HB2 PHE 69 HB2 PHE 69 -11.427 15.769 2.749 571 HB3 PHE 69 HB1 PHE 69 -12.495 16.758 3.736 572 HD1 PHE 69 HD1 PHE 69 -9.545 17.119 1.523 573 HD2 PHE 69 HD2 PHE 69 -13.223 18.757 2.883 574 HE1 PHE 69 HE1 PHE 69 -9.322 18.948 -0.101 575 HE2 PHE 69 HE2 PHE 69 -13.013 20.593 1.263 576 HZ PHE 69 HZ PHE 69 -11.054 20.695 -0.229 577 H TYR 70 HN TYR 70 -10.895 14.352 5.134 578 HA TYR 70 HA TYR 70 -11.987 15.175 7.747 579 HB2 TYR 70 HB2 TYR 70 -13.038 13.150 5.783 580 HB3 TYR 70 HB1 TYR 70 -13.450 13.060 7.493 581 HD1 TYR 70 HD2 TYR 70 -14.640 15.015 8.556 582 HD2 TYR 70 HD1 TYR 70 -14.133 14.667 4.348 583 HE1 TYR 70 HE2 TYR 70 -16.434 16.659 8.209 584 HE2 TYR 70 HE1 TYR 70 -15.922 16.313 3.992 585 HH TYR 70 HH TYR 70 -17.951 17.131 5.290 586 H MET 1 HT1 MET 1 24.585 7.654 0.059 587 HA MET 1 HA MET 1 25.461 5.530 0.447 588 HB2 MET 1 HB2 MET 1 27.763 5.187 1.236 589 HB3 MET 1 HB1 MET 1 27.731 5.929 -0.356 590 HG2 MET 1 HG2 MET 1 28.066 8.142 0.785 591 HG3 MET 1 HG1 MET 1 28.351 7.243 2.274 592 HE1 MET 1 HE1 MET 1 31.953 8.404 1.321 593 HE2 MET 1 HE2 MET 1 30.769 8.279 2.622 594 HE3 MET 1 HE3 MET 1 30.432 9.290 1.216 595 H PHE 2 HN PHE 2 25.041 4.616 2.406 596 HA PHE 2 HA PHE 2 24.591 6.491 4.601 597 HB2 PHE 2 HB2 PHE 2 23.214 4.185 3.593 598 HB3 PHE 2 HB1 PHE 2 23.628 3.927 5.282 599 HD1 PHE 2 HD1 PHE 2 22.919 7.243 3.839 600 HD2 PHE 2 HD2 PHE 2 21.406 3.980 6.123 601 HE1 PHE 2 HE1 PHE 2 21.005 8.618 4.535 602 HE2 PHE 2 HE2 PHE 2 19.489 5.354 6.817 603 HZ PHE 2 HZ PHE 2 19.288 7.678 6.025 604 H GLN 3 HN GLN 3 26.066 6.687 6.070 605 HA GLN 3 HA GLN 3 27.534 4.312 6.995 606 HB2 GLN 3 HB2 GLN 3 29.283 6.376 7.486 607 HB3 GLN 3 HB1 GLN 3 29.396 5.261 6.134 608 HG2 GLN 3 HG2 GLN 3 29.632 7.430 5.241 609 HG3 GLN 3 HG1 GLN 3 28.014 6.886 4.808 610 HE21 GLN 3 HE21 GLN 3 29.881 9.151 6.598 611 HE22 GLN 3 HE22 GLN 3 28.570 10.148 7.120 612 H ASP 4 HN ASP 4 28.811 5.270 9.154 613 HA ASP 4 HA ASP 4 26.884 5.433 11.150 614 HB2 ASP 4 HB2 ASP 4 29.301 4.832 11.452 615 HB3 ASP 4 HB1 ASP 4 29.701 6.538 11.298 616 HA PRO 5 HA PRO 5 26.513 6.306 13.178 617 HB2 PRO 5 HB2 PRO 5 24.176 7.769 13.987 618 HB3 PRO 5 HB1 PRO 5 25.744 7.670 14.805 619 HG2 PRO 5 HG2 PRO 5 24.740 9.944 13.668 620 HG3 PRO 5 HG1 PRO 5 26.459 9.629 13.958 621 HD2 PRO 5 HD2 PRO 5 24.904 9.385 11.422 622 HD3 PRO 5 HD1 PRO 5 26.558 9.981 11.686 623 H GLN 6 HN GLN 6 24.856 6.872 10.384 624 HA GLN 6 HA GLN 6 22.372 5.609 10.923 625 HB2 GLN 6 HB2 GLN 6 23.898 6.170 8.391 626 HB3 GLN 6 HB1 GLN 6 22.403 5.247 8.365 627 HG2 GLN 6 HG2 GLN 6 21.779 7.444 7.869 628 HG3 GLN 6 HG1 GLN 6 21.333 7.209 9.557 629 HE21 GLN 6 HE21 GLN 6 24.596 7.779 8.364 630 HE22 GLN 6 HE22 GLN 6 24.784 9.332 9.100 631 H GLU 7 HN GLU 7 21.920 3.543 11.193 632 HA GLU 7 HA GLU 7 24.077 1.600 10.815 633 HB2 GLU 7 HB2 GLU 7 22.961 1.774 13.031 634 HB3 GLU 7 HB1 GLU 7 21.446 1.300 12.278 635 HG2 GLU 7 HG2 GLU 7 22.712 -0.501 13.504 636 HG3 GLU 7 HG1 GLU 7 22.212 -0.876 11.857 637 H ARG 8 HN ARG 8 21.254 2.679 9.315 638 HA ARG 8 HA ARG 8 20.004 1.929 7.569 639 HB2 ARG 8 HB2 ARG 8 22.047 -0.200 7.002 640 HB3 ARG 8 HB1 ARG 8 21.052 0.699 5.868 641 HG2 ARG 8 HG2 ARG 8 22.530 2.377 5.707 642 HG3 ARG 8 HG1 ARG 8 22.949 2.322 7.421 643 HD2 ARG 8 HD2 ARG 8 23.970 0.580 5.191 644 HD3 ARG 8 HD1 ARG 8 24.892 1.663 6.234 645 HE ARG 8 HE ARG 8 24.113 0.035 8.074 646 HH11 ARG 8 HH11 ARG 8 24.922 -0.877 4.786 647 HH12 ARG 8 HH12 ARG 8 25.341 -2.506 5.210 648 HH21 ARG 8 HH21 ARG 8 24.701 -2.086 8.636 649 HH22 ARG 8 HH22 ARG 8 25.229 -3.190 7.403 650 HA PRO 9 HA PRO 9 18.599 -1.510 10.456 651 HB2 PRO 9 HB2 PRO 9 15.951 -0.621 10.163 652 HB3 PRO 9 HB1 PRO 9 17.016 -0.285 11.539 653 HG2 PRO 9 HG2 PRO 9 16.345 1.417 9.219 654 HG3 PRO 9 HG1 PRO 9 16.703 1.868 10.897 655 HD2 PRO 9 HD2 PRO 9 18.487 2.230 8.930 656 HD3 PRO 9 HD1 PRO 9 18.980 1.789 10.579 657 H ARG 10 HN ARG 10 17.713 -3.399 9.824 658 HA ARG 10 HA ARG 10 17.399 -3.813 6.994 659 HB2 ARG 10 HB2 ARG 10 17.499 -5.550 9.422 660 HB3 ARG 10 HB1 ARG 10 16.799 -6.210 7.951 661 HG2 ARG 10 HG2 ARG 10 19.229 -6.706 8.290 662 HG3 ARG 10 HG1 ARG 10 18.835 -5.938 6.754 663 HD2 ARG 10 HD2 ARG 10 20.323 -4.342 7.194 664 HD3 ARG 10 HD1 ARG 10 19.370 -3.866 8.596 665 HE ARG 10 HE ARG 10 21.117 -6.099 9.082 666 HH11 ARG 10 HH11 ARG 10 20.920 -2.594 8.995 667 HH12 ARG 10 HH12 ARG 10 22.224 -2.372 10.121 668 HH21 ARG 10 HH21 ARG 10 22.835 -5.803 10.554 669 HH22 ARG 10 HH22 ARG 10 23.305 -4.196 11.014 670 H LYS 11 HN LYS 11 15.401 -2.225 8.618 671 HA LYS 11 HA LYS 11 13.003 -3.562 7.594 672 HB2 LYS 11 HB2 LYS 11 13.285 -2.182 10.274 673 HB3 LYS 11 HB1 LYS 11 11.746 -2.661 9.568 674 HG2 LYS 11 HG2 LYS 11 13.984 -4.577 10.206 675 HG3 LYS 11 HG1 LYS 11 12.628 -4.237 11.282 676 HD2 LYS 11 HD2 LYS 11 11.075 -5.200 9.796 677 HD3 LYS 11 HD1 LYS 11 12.223 -5.182 8.460 678 HE2 LYS 11 HE2 LYS 11 13.627 -6.792 9.810 679 HE3 LYS 11 HE1 LYS 11 12.244 -6.954 10.891 680 HZ1 LYS 11 HZ1 LYS 11 10.979 -7.959 9.246 681 HZ2 LYS 11 HZ2 LYS 11 12.511 -8.628 8.999 682 HZ3 LYS 11 HZ3 LYS 11 11.959 -7.393 7.988 683 H LEU 12 HN LEU 12 11.956 -2.299 6.224 684 HA LEU 12 HA LEU 12 12.805 0.173 5.381 685 HB2 LEU 12 HB2 LEU 12 11.327 -1.327 4.116 686 HB3 LEU 12 HB1 LEU 12 10.002 -0.902 5.183 687 HG LEU 12 HG LEU 12 10.255 1.482 4.418 688 HD11 LEU 12 HD11 LEU 12 12.071 0.218 2.368 689 HD12 LEU 12 HD12 LEU 12 12.550 1.362 3.623 690 HD13 LEU 12 HD13 LEU 12 11.467 1.874 2.328 691 HD21 LEU 12 HD21 LEU 12 9.160 1.091 2.243 692 HD22 LEU 12 HD22 LEU 12 8.501 0.080 3.530 693 HD23 LEU 12 HD23 LEU 12 9.610 -0.613 2.348 694 HA PRO 13 HA PRO 13 9.166 2.295 7.981 695 HB2 PRO 13 HB2 PRO 13 8.971 1.031 10.471 696 HB3 PRO 13 HB1 PRO 13 7.790 0.916 9.154 697 HG2 PRO 13 HG2 PRO 13 9.955 -0.969 9.917 698 HG3 PRO 13 HG1 PRO 13 8.317 -1.303 9.314 699 HD2 PRO 13 HD2 PRO 13 10.426 -1.542 7.709 700 HD3 PRO 13 HD1 PRO 13 8.892 -0.875 7.110 701 H GLN 14 HN GLN 14 11.922 0.677 9.522 702 HA GLN 14 HA GLN 14 12.411 2.969 11.229 703 HB2 GLN 14 HB2 GLN 14 12.814 0.441 11.779 704 HB3 GLN 14 HB1 GLN 14 14.340 0.701 10.941 705 HG2 GLN 14 HG2 GLN 14 14.733 2.637 12.498 706 HG3 GLN 14 HG1 GLN 14 13.336 2.078 13.417 707 HE21 GLN 14 HE21 GLN 14 13.971 -0.745 12.872 708 HE22 GLN 14 HE22 GLN 14 15.312 -1.130 13.895 709 H LEU 15 HN LEU 15 13.557 1.639 8.237 710 HA LEU 15 HA LEU 15 16.012 3.014 8.047 711 HB2 LEU 15 HB2 LEU 15 15.405 1.102 6.621 712 HB3 LEU 15 HB1 LEU 15 14.178 2.079 5.837 713 HG LEU 15 HG LEU 15 16.021 3.614 5.068 714 HD11 LEU 15 HD11 LEU 15 17.714 3.003 6.691 715 HD12 LEU 15 HD12 LEU 15 18.298 2.698 5.056 716 HD13 LEU 15 HD13 LEU 15 17.754 1.355 6.064 717 HD21 LEU 15 HD21 LEU 15 16.728 2.125 3.259 718 HD22 LEU 15 HD22 LEU 15 15.002 1.975 3.591 719 HD23 LEU 15 HD23 LEU 15 16.121 0.741 4.167 720 H CYS 16 HN CYS 16 12.711 3.891 7.288 721 HA CYS 16 HA CYS 16 13.257 6.246 5.837 722 HB2 CYS 16 HB2 CYS 16 10.831 5.700 7.556 723 HB3 CYS 16 HB1 CYS 16 10.940 6.815 6.197 724 HG CYS 16 HG CYS 16 11.284 3.423 5.879 725 H THR 17 HN THR 17 13.155 5.538 9.260 726 HA THR 17 HA THR 17 12.959 8.215 10.165 727 HB THR 17 HB THR 17 14.385 6.221 11.841 728 HG1 THR 17 HG1 THR 17 12.270 5.244 12.261 729 HG21 THR 17 HG21 THR 17 12.093 8.140 12.280 730 HG22 THR 17 HG22 THR 17 13.768 8.364 12.781 731 HG23 THR 17 HG23 THR 17 12.785 7.102 13.524 732 H GLU 18 HN GLU 18 15.682 6.085 9.415 733 HA GLU 18 HA GLU 18 17.692 7.856 10.376 734 HB2 GLU 18 HB2 GLU 18 17.833 5.610 8.354 735 HB3 GLU 18 HB1 GLU 18 19.237 6.462 8.982 736 HG2 GLU 18 HG2 GLU 18 18.012 5.706 11.283 737 HG3 GLU 18 HG1 GLU 18 17.588 4.374 10.209 738 H LEU 19 HN LEU 19 15.803 7.667 7.523 739 HA LEU 19 HA LEU 19 17.499 9.534 6.061 740 HB2 LEU 19 HB2 LEU 19 15.095 7.879 5.375 741 HB3 LEU 19 HB1 LEU 19 15.540 9.240 4.363 742 HG LEU 19 HG LEU 19 17.550 7.107 5.006 743 HD11 LEU 19 HD11 LEU 19 15.533 7.052 2.768 744 HD12 LEU 19 HD12 LEU 19 15.598 5.945 4.140 745 HD13 LEU 19 HD13 LEU 19 16.902 5.954 2.952 746 HD21 LEU 19 HD21 LEU 19 18.584 7.852 2.976 747 HD22 LEU 19 HD22 LEU 19 18.238 9.266 3.973 748 HD23 LEU 19 HD23 LEU 19 17.205 8.885 2.596 749 H GLN 20 HN GLN 20 15.246 9.706 8.400 750 HA GLN 20 HA GLN 20 13.878 11.289 9.257 751 HB2 GLN 20 HB2 GLN 20 15.629 13.025 7.521 752 HB3 GLN 20 HB1 GLN 20 14.422 13.683 8.617 753 HG2 GLN 20 HG2 GLN 20 16.687 11.897 9.476 754 HG3 GLN 20 HG1 GLN 20 16.737 13.659 9.517 755 HE21 GLN 20 HE21 GLN 20 15.422 10.790 10.963 756 HE22 GLN 20 HE22 GLN 20 14.743 11.566 12.355 757 H THR 21 HN THR 21 12.706 9.853 7.233 758 HA THR 21 HA THR 21 10.776 11.799 6.268 759 HB THR 21 HB THR 21 12.458 11.580 4.437 760 HG1 THR 21 HG1 THR 21 10.877 11.413 2.855 761 HG21 THR 21 HG21 THR 21 13.056 9.219 4.811 762 HG22 THR 21 HG22 THR 21 12.566 9.520 3.143 763 HG23 THR 21 HG23 THR 21 11.450 8.736 4.263 764 H THR 22 HN THR 22 9.166 10.237 4.749 765 HA THR 22 HA THR 22 8.470 8.024 6.572 766 HB THR 22 HB THR 22 6.082 8.479 5.697 767 HG1 THR 22 HG1 THR 22 6.693 11.154 5.497 768 HG21 THR 22 HG21 THR 22 5.677 10.118 7.464 769 HG22 THR 22 HG22 THR 22 7.405 10.465 7.547 770 HG23 THR 22 HG23 THR 22 6.802 8.874 8.010 771 H ILE 23 HN ILE 23 6.895 6.451 5.450 772 HA ILE 23 HA ILE 23 8.235 5.337 3.193 773 HB ILE 23 HB ILE 23 5.514 4.428 4.074 774 HG12 ILE 23 HG12 ILE 23 8.106 3.788 5.511 775 HG13 ILE 23 HG11 ILE 23 6.848 4.851 6.134 776 HG21 ILE 23 HG21 ILE 23 6.415 2.226 3.532 777 HG22 ILE 23 HG22 ILE 23 7.979 2.952 3.157 778 HG23 ILE 23 HG23 ILE 23 6.570 3.332 2.166 779 HD11 ILE 23 HD11 ILE 23 6.561 1.913 5.554 780 HD12 ILE 23 HD12 ILE 23 5.287 2.971 6.161 781 HD13 ILE 23 HD13 ILE 23 6.716 2.657 7.146 782 H HIS 24 HN HIS 24 6.090 7.835 3.366 783 HA HIS 24 HA HIS 24 4.796 7.212 0.809 784 HB2 HIS 24 HB2 HIS 24 4.112 9.705 2.295 785 HB3 HIS 24 HB1 HIS 24 3.072 8.632 1.370 786 HD1 HIS 24 HD1 HIS 24 2.044 6.565 2.680 787 HD2 HIS 24 HD2 HIS 24 4.346 9.157 4.979 788 HE1 HIS 24 HE1 HIS 24 1.612 5.954 5.094 789 H ASP 25 HN ASP 25 7.600 8.380 1.684 790 HA ASP 25 HA ASP 25 7.646 10.420 -0.436 791 HB2 ASP 25 HB2 ASP 25 7.728 11.602 1.676 792 HB3 ASP 25 HB1 ASP 25 9.022 10.556 2.253 793 H ILE 26 HN ILE 26 9.452 8.048 1.444 794 HA ILE 26 HA ILE 26 11.850 8.191 -0.032 795 HB ILE 26 HB ILE 26 11.766 7.203 2.198 796 HG12 ILE 26 HG12 ILE 26 12.614 5.210 0.082 797 HG13 ILE 26 HG11 ILE 26 13.588 6.543 0.690 798 HG21 ILE 26 HG21 ILE 26 10.762 5.067 2.654 799 HG22 ILE 26 HG22 ILE 26 10.283 4.889 0.966 800 HG23 ILE 26 HG23 ILE 26 9.544 6.140 1.963 801 HD11 ILE 26 HD11 ILE 26 14.269 4.435 1.675 802 HD12 ILE 26 HD12 ILE 26 12.637 4.180 2.291 803 HD13 ILE 26 HD13 ILE 26 13.612 5.515 2.904 804 H ILE 27 HN ILE 27 12.506 7.245 -1.873 805 HA ILE 27 HA ILE 27 10.693 5.331 -3.191 806 HB ILE 27 HB ILE 27 12.259 7.584 -4.466 807 HG12 ILE 27 HG12 ILE 27 10.104 8.223 -3.429 808 HG13 ILE 27 HG11 ILE 27 10.088 8.419 -5.179 809 HG21 ILE 27 HG21 ILE 27 11.446 6.814 -6.613 810 HG22 ILE 27 HG22 ILE 27 10.609 5.468 -5.839 811 HG23 ILE 27 HG23 ILE 27 12.372 5.533 -5.827 812 HD11 ILE 27 HD11 ILE 27 8.878 6.278 -5.370 813 HD12 ILE 27 HD12 ILE 27 8.002 7.485 -4.433 814 HD13 ILE 27 HD13 ILE 27 8.841 6.173 -3.610 815 H LEU 28 HN LEU 28 11.629 3.474 -3.797 816 HA LEU 28 HA LEU 28 14.572 3.337 -3.770 817 HB2 LEU 28 HB2 LEU 28 12.498 1.619 -2.617 818 HB3 LEU 28 HB1 LEU 28 13.697 0.736 -3.542 819 HG LEU 28 HG LEU 28 15.476 1.784 -2.146 820 HD11 LEU 28 HD11 LEU 28 14.855 2.873 -0.061 821 HD12 LEU 28 HD12 LEU 28 13.151 2.765 -0.500 822 HD13 LEU 28 HD13 LEU 28 14.242 3.775 -1.448 823 HD21 LEU 28 HD21 LEU 28 14.686 -0.447 -1.644 824 HD22 LEU 28 HD22 LEU 28 13.355 0.209 -0.691 825 HD23 LEU 28 HD23 LEU 28 15.019 0.423 -0.146 826 H GLU 29 HN GLU 29 15.540 1.797 -5.264 827 HA GLU 29 HA GLU 29 14.003 1.633 -7.766 828 HB2 GLU 29 HB2 GLU 29 17.000 1.410 -7.388 829 HB3 GLU 29 HB1 GLU 29 16.140 1.500 -8.915 830 HG2 GLU 29 HG2 GLU 29 15.453 3.773 -8.435 831 HG3 GLU 29 HG1 GLU 29 16.233 3.695 -6.855 832 H CYS 30 HN CYS 30 14.257 -0.302 -9.071 833 HA CYS 30 HA CYS 30 14.097 -2.687 -7.517 834 HB2 CYS 30 HB2 CYS 30 12.733 -2.484 -9.505 835 HB3 CYS 30 HB1 CYS 30 14.153 -2.236 -10.511 836 H VAL 31 HN VAL 31 15.568 -4.257 -7.212 837 HA VAL 31 HA VAL 31 18.309 -3.636 -7.503 838 HB VAL 31 HB VAL 31 17.592 -4.995 -5.663 839 HG11 VAL 31 HG11 VAL 31 15.668 -6.071 -6.619 840 HG12 VAL 31 HG12 VAL 31 16.760 -7.295 -5.971 841 HG13 VAL 31 HG13 VAL 31 16.690 -7.009 -7.711 842 HG21 VAL 31 HG21 VAL 31 19.866 -5.400 -6.544 843 HG22 VAL 31 HG22 VAL 31 19.229 -6.738 -7.501 844 HG23 VAL 31 HG23 VAL 31 19.178 -6.810 -5.739 845 H TYR 32 HN TYR 32 16.076 -5.245 -9.625 846 HA TYR 32 HA TYR 32 18.341 -6.218 -11.232 847 HB2 TYR 32 HB2 TYR 32 15.459 -7.112 -11.223 848 HB3 TYR 32 HB1 TYR 32 16.683 -7.704 -12.345 849 HD1 TYR 32 HD2 TYR 32 18.886 -8.576 -11.149 850 HD2 TYR 32 HD1 TYR 32 15.054 -8.362 -9.326 851 HE1 TYR 32 HE2 TYR 32 19.581 -10.268 -9.509 852 HE2 TYR 32 HE1 TYR 32 15.736 -10.052 -7.677 853 HH TYR 32 HH TYR 32 17.327 -11.479 -7.043 854 H CYS 33 HN CYS 33 15.107 -4.766 -11.652 855 HA CYS 33 HA CYS 33 15.636 -4.047 -14.371 856 HB2 CYS 33 HB2 CYS 33 13.472 -2.870 -12.637 857 HB3 CYS 33 HB1 CYS 33 13.457 -3.123 -14.381 858 H LYS 34 HN LYS 34 16.199 -2.605 -11.315 859 HA LYS 34 HA LYS 34 17.171 -0.683 -10.634 860 HB2 LYS 34 HB2 LYS 34 18.028 -0.465 -13.522 861 HB3 LYS 34 HB1 LYS 34 18.687 0.475 -12.190 862 HG2 LYS 34 HG2 LYS 34 19.515 -1.567 -11.143 863 HG3 LYS 34 HG1 LYS 34 18.851 -2.521 -12.471 864 HD2 LYS 34 HD2 LYS 34 20.291 -1.103 -14.012 865 HD3 LYS 34 HD1 LYS 34 21.093 -0.518 -12.554 866 HE2 LYS 34 HE2 LYS 34 22.394 -2.316 -13.395 867 HE3 LYS 34 HE1 LYS 34 21.563 -2.901 -11.956 868 HZ1 LYS 34 HZ1 LYS 34 21.401 -4.565 -13.622 869 HZ2 LYS 34 HZ2 LYS 34 20.860 -3.462 -14.786 870 HZ3 LYS 34 HZ3 LYS 34 19.866 -3.867 -13.480 871 H GLN 35 HN GLN 35 14.437 -0.723 -11.670 872 HA GLN 35 HA GLN 35 14.085 2.028 -12.619 873 HB2 GLN 35 HB2 GLN 35 12.209 -0.334 -12.456 874 HB3 GLN 35 HB1 GLN 35 11.673 1.285 -12.881 875 HG2 GLN 35 HG2 GLN 35 13.826 -0.164 -14.397 876 HG3 GLN 35 HG1 GLN 35 12.115 -0.293 -14.801 877 HE21 GLN 35 HE21 GLN 35 14.908 1.736 -14.791 878 HE22 GLN 35 HE22 GLN 35 14.260 3.000 -15.777 879 H GLN 36 HN GLN 36 12.687 3.471 -11.489 880 HA GLN 36 HA GLN 36 12.826 3.195 -8.644 881 HB2 GLN 36 HB2 GLN 36 11.753 5.291 -10.500 882 HB3 GLN 36 HB1 GLN 36 11.424 5.374 -8.775 883 HG2 GLN 36 HG2 GLN 36 13.789 5.450 -8.290 884 HG3 GLN 36 HG1 GLN 36 14.169 5.250 -9.997 885 HE21 GLN 36 HE21 GLN 36 11.529 7.236 -8.912 886 HE22 GLN 36 HE22 GLN 36 12.237 8.755 -9.331 887 H LEU 37 HN LEU 37 11.392 2.326 -7.333 888 HA LEU 37 HA LEU 37 8.922 1.280 -8.376 889 HB2 LEU 37 HB2 LEU 37 10.449 1.070 -5.842 890 HB3 LEU 37 HB1 LEU 37 8.716 0.841 -5.727 891 HG LEU 37 HG LEU 37 8.980 -0.910 -7.573 892 HD11 LEU 37 HD11 LEU 37 11.182 -0.340 -8.354 893 HD12 LEU 37 HD12 LEU 37 11.216 -1.963 -7.665 894 HD13 LEU 37 HD13 LEU 37 11.861 -0.600 -6.749 895 HD21 LEU 37 HD21 LEU 37 10.162 -1.320 -4.834 896 HD22 LEU 37 HD22 LEU 37 9.725 -2.624 -5.935 897 HD23 LEU 37 HD23 LEU 37 8.480 -1.539 -5.314 898 H LEU 38 HN LEU 38 6.961 2.140 -8.220 899 HA LEU 38 HA LEU 38 6.625 4.812 -7.265 900 HB2 LEU 38 HB2 LEU 38 4.393 2.906 -7.930 901 HB3 LEU 38 HB1 LEU 38 4.399 4.654 -8.063 902 HG LEU 38 HG LEU 38 6.160 2.923 -9.785 903 HD11 LEU 38 HD11 LEU 38 4.428 3.177 -11.534 904 HD12 LEU 38 HD12 LEU 38 3.339 3.833 -10.313 905 HD13 LEU 38 HD13 LEU 38 3.910 2.171 -10.181 906 HD21 LEU 38 HD21 LEU 38 6.135 4.879 -11.249 907 HD22 LEU 38 HD22 LEU 38 6.750 5.285 -9.647 908 HD23 LEU 38 HD23 LEU 38 5.104 5.728 -10.097 909 H ARG 39 HN ARG 39 5.088 5.457 -5.589 910 HA ARG 39 HA ARG 39 5.494 4.174 -3.156 911 HB2 ARG 39 HB2 ARG 39 3.734 5.616 -2.238 912 HB3 ARG 39 HB1 ARG 39 4.822 6.518 -3.282 913 HG2 ARG 39 HG2 ARG 39 3.175 6.421 -5.083 914 HG3 ARG 39 HG1 ARG 39 2.087 5.510 -4.032 915 HD2 ARG 39 HD2 ARG 39 3.146 8.228 -3.297 916 HD3 ARG 39 HD1 ARG 39 1.671 8.012 -4.236 917 HE ARG 39 HE ARG 39 1.979 6.812 -1.555 918 HH11 ARG 39 HH11 ARG 39 0.222 8.836 -3.811 919 HH12 ARG 39 HH12 ARG 39 -1.137 9.045 -2.757 920 HH21 ARG 39 HH21 ARG 39 0.186 7.092 -0.163 921 HH22 ARG 39 HH22 ARG 39 -1.153 8.066 -0.682 922 H ARG 40 HN ARG 40 3.058 3.670 -5.583 923 HA ARG 40 HA ARG 40 1.143 2.243 -4.138 924 HB2 ARG 40 HB2 ARG 40 0.819 3.010 -6.451 925 HB3 ARG 40 HB1 ARG 40 2.035 1.870 -7.006 926 HG2 ARG 40 HG2 ARG 40 0.561 0.036 -6.113 927 HG3 ARG 40 HG1 ARG 40 -0.682 1.264 -5.874 928 HD2 ARG 40 HD2 ARG 40 -1.198 0.398 -7.966 929 HD3 ARG 40 HD1 ARG 40 -0.271 1.846 -8.351 930 HE ARG 40 HE ARG 40 1.481 -0.357 -8.186 931 HH11 ARG 40 HH11 ARG 40 -1.077 0.893 -10.240 932 HH12 ARG 40 HH12 ARG 40 -0.462 0.145 -11.679 933 HH21 ARG 40 HH21 ARG 40 2.310 -1.313 -10.075 934 HH22 ARG 40 HH22 ARG 40 1.477 -1.094 -11.589 935 H GLU 41 HN GLU 41 4.047 1.107 -5.824 936 HA GLU 41 HA GLU 41 3.626 -1.638 -5.129 937 HB2 GLU 41 HB2 GLU 41 6.276 -0.519 -6.009 938 HB3 GLU 41 HB1 GLU 41 5.583 -2.102 -6.334 939 HG2 GLU 41 HG2 GLU 41 4.575 0.486 -7.499 940 HG3 GLU 41 HG1 GLU 41 5.665 -0.633 -8.314 941 H VAL 42 HN VAL 42 5.449 1.052 -3.820 942 HA VAL 42 HA VAL 42 7.121 -0.366 -2.067 943 HB VAL 42 HB VAL 42 5.991 2.425 -1.781 944 HG11 VAL 42 HG11 VAL 42 7.846 2.839 -0.232 945 HG12 VAL 42 HG12 VAL 42 8.308 1.139 -0.335 946 HG13 VAL 42 HG13 VAL 42 6.759 1.589 0.376 947 HG21 VAL 42 HG21 VAL 42 8.134 3.158 -2.683 948 HG22 VAL 42 HG22 VAL 42 7.326 2.066 -3.808 949 HG23 VAL 42 HG23 VAL 42 8.664 1.480 -2.820 950 H TYR 43 HN TYR 43 3.802 0.788 -1.691 951 HA TYR 43 HA TYR 43 3.581 0.228 1.070 952 HB2 TYR 43 HB2 TYR 43 1.433 0.367 -1.054 953 HB3 TYR 43 HB1 TYR 43 1.126 0.299 0.678 954 HD1 TYR 43 HD1 TYR 43 3.544 2.133 1.390 955 HD2 TYR 43 HD2 TYR 43 0.329 2.480 -1.377 956 HE1 TYR 43 HE1 TYR 43 3.724 4.575 1.501 957 HE2 TYR 43 HE2 TYR 43 0.501 4.932 -1.271 958 HH TYR 43 HH TYR 43 3.118 6.502 0.491 959 H ASP 44 HN ASP 44 2.925 -1.703 -1.816 960 HA ASP 44 HA ASP 44 1.872 -3.951 -0.427 961 HB2 ASP 44 HB2 ASP 44 1.736 -3.369 -2.953 962 HB3 ASP 44 HB1 ASP 44 3.317 -4.130 -3.064 963 H PHE 45 HN PHE 45 5.069 -2.931 -1.423 964 HA PHE 45 HA PHE 45 6.518 -5.258 -0.878 965 HB2 PHE 45 HB2 PHE 45 7.483 -3.408 -2.130 966 HB3 PHE 45 HB1 PHE 45 7.343 -2.348 -0.734 967 HD1 PHE 45 HD1 PHE 45 9.149 -5.229 -2.150 968 HD2 PHE 45 HD2 PHE 45 8.995 -2.347 0.981 969 HE1 PHE 45 HE1 PHE 45 11.432 -5.846 -1.469 970 HE2 PHE 45 HE2 PHE 45 11.275 -2.961 1.665 971 HZ PHE 45 HZ PHE 45 12.494 -4.713 0.440 972 H ALA 46 HN ALA 46 5.620 -2.544 1.206 973 HA ALA 46 HA ALA 46 6.995 -3.610 3.500 974 HB1 ALA 46 HB1 ALA 46 6.739 -1.190 3.187 975 HB2 ALA 46 HB2 ALA 46 6.028 -1.730 4.709 976 HB3 ALA 46 HB3 ALA 46 4.990 -1.364 3.331 977 H PHE 47 HN PHE 47 3.837 -3.838 2.119 978 HA PHE 47 HA PHE 47 2.450 -4.650 4.462 979 HB2 PHE 47 HB2 PHE 47 1.806 -4.114 1.761 980 HB3 PHE 47 HB1 PHE 47 1.269 -5.754 2.093 981 HD1 PHE 47 HD1 PHE 47 1.040 -2.265 3.339 982 HD2 PHE 47 HD2 PHE 47 -0.709 -6.147 3.257 983 HE1 PHE 47 HE1 PHE 47 -0.964 -1.382 4.460 984 HE2 PHE 47 HE2 PHE 47 -2.717 -5.269 4.375 985 HZ PHE 47 HZ PHE 47 -2.841 -2.886 4.980 986 H ARG 48 HN ARG 48 4.008 -6.410 1.799 987 HA ARG 48 HA ARG 48 3.375 -8.983 2.964 988 HB2 ARG 48 HB2 ARG 48 5.294 -8.342 0.712 989 HB3 ARG 48 HB1 ARG 48 4.677 -9.932 1.134 990 HG2 ARG 48 HG2 ARG 48 2.414 -9.191 0.539 991 HG3 ARG 48 HG1 ARG 48 3.075 -7.624 0.061 992 HD2 ARG 48 HD2 ARG 48 4.669 -9.187 -1.382 993 HD3 ARG 48 HD1 ARG 48 3.278 -10.266 -1.273 994 HE ARG 48 HE ARG 48 2.426 -7.676 -2.032 995 HH11 ARG 48 HH11 ARG 48 4.092 -10.492 -3.307 996 HH12 ARG 48 HH12 ARG 48 3.708 -10.132 -4.957 997 HH21 ARG 48 HH21 ARG 48 1.902 -7.205 -4.203 998 HH22 ARG 48 HH22 ARG 48 2.470 -8.263 -5.470 999 H ASP 49 HN ASP 49 5.106 -10.551 3.486 1000 HA ASP 49 HA ASP 49 7.088 -9.288 5.182 1001 HB2 ASP 49 HB2 ASP 49 5.717 -11.380 5.786 1002 HB3 ASP 49 HB1 ASP 49 6.803 -12.253 4.711 1003 H LEU 50 HN LEU 50 8.227 -8.294 3.428 1004 HA LEU 50 HA LEU 50 9.925 -10.155 1.905 1005 HB2 LEU 50 HB2 LEU 50 9.223 -7.270 1.339 1006 HB3 LEU 50 HB1 LEU 50 10.292 -8.258 0.360 1007 HG LEU 50 HG LEU 50 7.384 -8.911 0.831 1008 HD11 LEU 50 HD11 LEU 50 8.622 -7.601 -1.583 1009 HD12 LEU 50 HD12 LEU 50 7.674 -6.763 -0.358 1010 HD13 LEU 50 HD13 LEU 50 6.923 -8.012 -1.347 1011 HD21 LEU 50 HD21 LEU 50 7.710 -10.374 -1.124 1012 HD22 LEU 50 HD22 LEU 50 8.727 -10.834 0.241 1013 HD23 LEU 50 HD23 LEU 50 9.425 -9.963 -1.126 1014 H CYS 51 HN CYS 51 11.952 -8.436 1.196 1015 HA CYS 51 HA CYS 51 13.034 -7.294 3.633 1016 HB2 CYS 51 HB2 CYS 51 15.126 -8.593 3.462 1017 HB3 CYS 51 HB1 CYS 51 13.744 -9.637 3.761 1018 HG CYS 51 HG CYS 51 14.531 -9.232 0.522 1019 H ILE 52 HN ILE 52 14.818 -5.885 3.232 1020 HA ILE 52 HA ILE 52 14.715 -4.667 0.620 1021 HB ILE 52 HB ILE 52 16.365 -3.987 3.065 1022 HG12 ILE 52 HG12 ILE 52 14.738 -1.899 2.809 1023 HG13 ILE 52 HG11 ILE 52 13.723 -3.092 2.006 1024 HG21 ILE 52 HG21 ILE 52 16.081 -2.508 0.456 1025 HG22 ILE 52 HG22 ILE 52 17.549 -3.238 1.107 1026 HG23 ILE 52 HG23 ILE 52 16.827 -1.842 1.908 1027 HD11 ILE 52 HD11 ILE 52 14.850 -3.440 4.775 1028 HD12 ILE 52 HD12 ILE 52 13.649 -4.449 3.968 1029 HD13 ILE 52 HD13 ILE 52 13.246 -2.793 4.424 1030 H VAL 53 HN VAL 53 16.010 -5.158 -1.016 1031 HA VAL 53 HA VAL 53 18.261 -6.950 -0.552 1032 HB VAL 53 HB VAL 53 17.276 -5.943 -3.229 1033 HG11 VAL 53 HG11 VAL 53 18.324 -7.987 -4.076 1034 HG12 VAL 53 HG12 VAL 53 18.815 -8.417 -2.438 1035 HG13 VAL 53 HG13 VAL 53 19.490 -6.984 -3.211 1036 HG21 VAL 53 HG21 VAL 53 16.381 -8.424 -1.760 1037 HG22 VAL 53 HG22 VAL 53 15.912 -7.955 -3.394 1038 HG23 VAL 53 HG23 VAL 53 15.405 -6.975 -2.019 1039 H TYR 54 HN TYR 54 20.325 -6.269 -0.564 1040 HA TYR 54 HA TYR 54 20.789 -3.441 -1.109 1041 HB2 TYR 54 HB2 TYR 54 22.104 -5.501 0.544 1042 HB3 TYR 54 HB1 TYR 54 23.173 -4.310 -0.192 1043 HD1 TYR 54 HD2 TYR 54 20.311 -4.759 2.098 1044 HD2 TYR 54 HD1 TYR 54 23.213 -2.047 0.569 1045 HE1 TYR 54 HE2 TYR 54 19.712 -3.136 3.844 1046 HE2 TYR 54 HE1 TYR 54 22.617 -0.419 2.312 1047 HH TYR 54 HH TYR 54 20.667 -1.230 4.986 1048 H ARG 55 HN ARG 55 21.311 -2.914 -3.090 1049 HA ARG 55 HA ARG 55 22.865 -4.765 -4.743 1050 HB2 ARG 55 HB2 ARG 55 20.712 -3.507 -5.516 1051 HB3 ARG 55 HB1 ARG 55 21.779 -2.121 -5.688 1052 HG2 ARG 55 HG2 ARG 55 22.554 -4.692 -6.974 1053 HG3 ARG 55 HG1 ARG 55 21.284 -3.718 -7.711 1054 HD2 ARG 55 HD2 ARG 55 24.067 -2.761 -7.044 1055 HD3 ARG 55 HD1 ARG 55 23.505 -3.228 -8.648 1056 HE ARG 55 HE ARG 55 21.768 -1.272 -7.756 1057 HH11 ARG 55 HH11 ARG 55 25.214 -1.509 -8.356 1058 HH12 ARG 55 HH12 ARG 55 25.355 0.149 -8.870 1059 HH21 ARG 55 HH21 ARG 55 21.960 0.916 -8.397 1060 HH22 ARG 55 HH22 ARG 55 23.513 1.520 -8.893 1061 H ASP 56 HN ASP 56 24.975 -4.569 -4.628 1062 HA ASP 56 HA ASP 56 27.081 -3.713 -4.572 1063 HB2 ASP 56 HB2 ASP 56 25.545 -1.344 -5.537 1064 HB3 ASP 56 HB1 ASP 56 27.168 -1.062 -4.918 1065 H GLY 57 HN GLY 57 25.390 -0.871 -3.283 1066 HA2 GLY 57 HA2 GLY 57 26.012 -1.598 -0.550 1067 HA3 GLY 57 HA1 GLY 57 26.965 -0.259 -1.176 1068 H ASN 58 HN ASN 58 23.710 -0.746 -2.281 1069 HA ASN 58 HA ASN 58 22.757 1.373 -0.491 1070 HB2 ASN 58 HB2 ASN 58 22.921 1.448 -3.450 1071 HB3 ASN 58 HB1 ASN 58 21.416 2.028 -2.743 1072 HD21 ASN 58 HD21 ASN 58 24.732 2.677 -3.300 1073 HD22 ASN 58 HD22 ASN 58 24.776 4.235 -2.553 1074 HA PRO 59 HA PRO 59 19.260 -1.254 0.046 1075 HB2 PRO 59 HB2 PRO 59 17.376 0.622 0.693 1076 HB3 PRO 59 HB1 PRO 59 18.651 0.102 1.813 1077 HG2 PRO 59 HG2 PRO 59 18.539 2.529 0.087 1078 HG3 PRO 59 HG1 PRO 59 19.065 2.369 1.775 1079 HD2 PRO 59 HD2 PRO 59 20.834 2.516 -0.246 1080 HD3 PRO 59 HD1 PRO 59 21.133 1.522 1.197 1081 H TYR 60 HN TYR 60 18.305 -2.212 -1.629 1082 HA TYR 60 HA TYR 60 16.837 -0.529 -3.546 1083 HB2 TYR 60 HB2 TYR 60 18.701 -2.801 -3.950 1084 HB3 TYR 60 HB1 TYR 60 17.265 -2.781 -4.969 1085 HD1 TYR 60 HD2 TYR 60 19.889 -0.361 -3.808 1086 HD2 TYR 60 HD1 TYR 60 17.481 -1.778 -7.009 1087 HE1 TYR 60 HE2 TYR 60 20.962 1.255 -5.324 1088 HE2 TYR 60 HE1 TYR 60 18.544 -0.175 -8.533 1089 HH TYR 60 HH TYR 60 19.705 2.105 -8.266 1090 H ALA 61 HN ALA 61 15.007 -1.691 -4.599 1091 HA ALA 61 HA ALA 61 13.751 -3.545 -2.681 1092 HB1 ALA 61 HB1 ALA 61 12.397 -1.411 -4.330 1093 HB2 ALA 61 HB2 ALA 61 12.673 -1.365 -2.588 1094 HB3 ALA 61 HB3 ALA 61 11.584 -2.568 -3.277 1095 H VAL 62 HN VAL 62 11.709 -4.537 -3.887 1096 HA VAL 62 HA VAL 62 12.711 -5.659 -6.418 1097 HB VAL 62 HB VAL 62 10.718 -7.057 -4.654 1098 HG11 VAL 62 HG11 VAL 62 11.631 -9.054 -5.748 1099 HG12 VAL 62 HG12 VAL 62 12.730 -8.033 -6.672 1100 HG13 VAL 62 HG13 VAL 62 10.987 -7.894 -6.910 1101 HG21 VAL 62 HG21 VAL 62 12.656 -6.554 -3.239 1102 HG22 VAL 62 HG22 VAL 62 13.714 -7.313 -4.429 1103 HG23 VAL 62 HG23 VAL 62 12.517 -8.281 -3.568 1104 H CYS 63 HN CYS 63 11.544 -5.086 -8.137 1105 HA CYS 63 HA CYS 63 9.085 -3.665 -7.880 1106 HB2 CYS 63 HB2 CYS 63 9.123 -3.584 -10.321 1107 HB3 CYS 63 HB1 CYS 63 10.715 -3.203 -9.674 1108 H ASP 64 HN ASP 64 7.264 -4.334 -9.478 1109 HA ASP 64 HA ASP 64 6.063 -6.682 -8.487 1110 HB2 ASP 64 HB2 ASP 64 4.681 -4.856 -9.209 1111 HB3 ASP 64 HB1 ASP 64 5.377 -4.888 -10.822 1112 H LYS 65 HN LYS 65 8.187 -6.104 -11.126 1113 HA LYS 65 HA LYS 65 7.482 -8.430 -12.658 1114 HB2 LYS 65 HB2 LYS 65 10.004 -6.764 -12.754 1115 HB3 LYS 65 HB1 LYS 65 9.476 -7.916 -13.970 1116 HG2 LYS 65 HG2 LYS 65 7.739 -6.528 -14.693 1117 HG3 LYS 65 HG1 LYS 65 7.803 -5.536 -13.236 1118 HD2 LYS 65 HD2 LYS 65 8.786 -4.364 -15.148 1119 HD3 LYS 65 HD1 LYS 65 9.995 -4.682 -13.904 1120 HE2 LYS 65 HE2 LYS 65 10.361 -6.871 -15.374 1121 HE3 LYS 65 HE1 LYS 65 9.722 -5.819 -16.635 1122 HZ1 LYS 65 HZ1 LYS 65 12.153 -5.758 -16.473 1123 HZ2 LYS 65 HZ2 LYS 65 12.038 -5.163 -14.892 1124 HZ3 LYS 65 HZ3 LYS 65 11.461 -4.242 -16.190 1125 H CYS 66 HN CYS 66 10.366 -7.537 -10.760 1126 HA CYS 66 HA CYS 66 11.466 -10.151 -10.850 1127 HB2 CYS 66 HB2 CYS 66 12.145 -7.924 -8.935 1128 HB3 CYS 66 HB1 CYS 66 13.172 -9.277 -9.399 1129 H LEU 67 HN LEU 67 9.211 -8.603 -8.736 1130 HA LEU 67 HA LEU 67 9.532 -10.037 -6.390 1131 HB2 LEU 67 HB2 LEU 67 7.889 -8.106 -7.083 1132 HB3 LEU 67 HB1 LEU 67 6.793 -9.431 -7.410 1133 HG LEU 67 HG LEU 67 6.801 -10.120 -5.118 1134 HD11 LEU 67 HD11 LEU 67 8.994 -8.091 -4.755 1135 HD12 LEU 67 HD12 LEU 67 9.086 -9.833 -4.495 1136 HD13 LEU 67 HD13 LEU 67 8.111 -8.831 -3.423 1137 HD21 LEU 67 HD21 LEU 67 5.339 -8.244 -5.703 1138 HD22 LEU 67 HD22 LEU 67 6.619 -7.113 -5.267 1139 HD23 LEU 67 HD23 LEU 67 5.893 -8.142 -4.032 1140 H LYS 68 HN LYS 68 7.574 -10.889 -9.232 1141 HA LYS 68 HA LYS 68 6.769 -13.403 -8.069 1142 HB2 LYS 68 HB2 LYS 68 5.682 -13.798 -10.260 1143 HB3 LYS 68 HB1 LYS 68 5.208 -12.276 -9.527 1144 HG2 LYS 68 HG2 LYS 68 6.735 -11.083 -10.996 1145 HG3 LYS 68 HG1 LYS 68 7.236 -12.609 -11.726 1146 HD2 LYS 68 HD2 LYS 68 4.926 -12.994 -12.471 1147 HD3 LYS 68 HD1 LYS 68 4.448 -11.446 -11.772 1148 HE2 LYS 68 HE2 LYS 68 6.107 -10.340 -13.261 1149 HE3 LYS 68 HE1 LYS 68 6.396 -11.902 -14.027 1150 HZ1 LYS 68 HZ1 LYS 68 4.082 -11.973 -14.684 1151 HZ2 LYS 68 HZ2 LYS 68 4.812 -10.571 -15.276 1152 HZ3 LYS 68 HZ3 LYS 68 3.789 -10.487 -13.932 1153 H PHE 69 HN PHE 69 9.333 -12.266 -10.067 1154 HA PHE 69 HA PHE 69 9.990 -14.800 -11.217 1155 HB2 PHE 69 HB2 PHE 69 11.089 -12.062 -11.277 1156 HB3 PHE 69 HB1 PHE 69 12.274 -13.344 -11.480 1157 HD1 PHE 69 HD1 PHE 69 9.367 -11.682 -12.944 1158 HD2 PHE 69 HD2 PHE 69 12.256 -14.770 -13.429 1159 HE1 PHE 69 HE1 PHE 69 8.757 -11.873 -15.323 1160 HE2 PHE 69 HE2 PHE 69 11.650 -14.968 -15.800 1161 HZ PHE 69 HZ PHE 69 9.899 -13.521 -16.753 1162 H TYR 70 HN TYR 70 11.355 -12.870 -8.554 1163 HA TYR 70 HA TYR 70 12.983 -15.213 -7.814 1164 HB2 TYR 70 HB2 TYR 70 13.397 -12.262 -7.363 1165 HB3 TYR 70 HB1 TYR 70 14.333 -13.491 -6.519 1166 HD1 TYR 70 HD1 TYR 70 13.700 -11.890 -9.756 1167 HD2 TYR 70 HD2 TYR 70 15.985 -14.819 -7.684 1168 HE1 TYR 70 HE1 TYR 70 15.246 -12.023 -11.663 1169 HE2 TYR 70 HE2 TYR 70 17.536 -14.958 -9.587 1170 HH TYR 70 HH TYR 70 17.745 -12.715 -11.953 Start of MODEL 5 1 H MET 1 HT1 MET 1 -23.857 -2.501 -2.593 2 HA MET 1 HA MET 1 -24.738 -0.840 -1.120 3 HB2 MET 1 HB2 MET 1 -27.032 -0.951 -2.236 4 HB3 MET 1 HB1 MET 1 -27.344 -2.362 -1.235 5 HG2 MET 1 HG2 MET 1 -26.732 -0.829 0.738 6 HG3 MET 1 HG1 MET 1 -26.968 0.488 -0.408 7 HE1 MET 1 HE1 MET 1 -30.726 -0.287 -1.504 8 HE2 MET 1 HE2 MET 1 -29.244 -0.917 -2.219 9 HE3 MET 1 HE3 MET 1 -29.359 0.787 -1.782 10 H PHE 2 HN PHE 2 -24.738 -1.231 1.145 11 HA PHE 2 HA PHE 2 -24.587 -4.074 1.897 12 HB2 PHE 2 HB2 PHE 2 -22.412 -2.464 1.814 13 HB3 PHE 2 HB1 PHE 2 -22.969 -2.137 3.450 14 HD1 PHE 2 HD1 PHE 2 -22.570 -5.133 1.256 15 HD2 PHE 2 HD2 PHE 2 -21.932 -3.370 5.073 16 HE1 PHE 2 HE1 PHE 2 -21.473 -7.197 2.021 17 HE2 PHE 2 HE2 PHE 2 -20.835 -5.431 5.848 18 HZ PHE 2 HZ PHE 2 -20.605 -7.347 4.319 19 H GLN 3 HN GLN 3 -26.423 -4.378 2.983 20 HA GLN 3 HA GLN 3 -27.038 -2.531 5.184 21 HB2 GLN 3 HB2 GLN 3 -29.366 -2.619 4.723 22 HB3 GLN 3 HB1 GLN 3 -28.577 -2.269 3.197 23 HG2 GLN 3 HG2 GLN 3 -29.672 -4.940 4.066 24 HG3 GLN 3 HG1 GLN 3 -30.400 -3.837 2.902 25 HE21 GLN 3 HE21 GLN 3 -28.065 -6.293 3.438 26 HE22 GLN 3 HE22 GLN 3 -27.514 -6.426 1.801 27 H ASP 4 HN ASP 4 -29.195 -3.962 6.231 28 HA ASP 4 HA ASP 4 -27.967 -5.825 7.889 29 HB2 ASP 4 HB2 ASP 4 -30.258 -6.498 8.527 30 HB3 ASP 4 HB1 ASP 4 -30.082 -4.749 8.455 31 HA PRO 5 HA PRO 5 -28.854 -7.649 9.068 32 HB2 PRO 5 HB2 PRO 5 -27.873 -10.047 9.736 33 HB3 PRO 5 HB1 PRO 5 -29.524 -9.877 9.109 34 HG2 PRO 5 HG2 PRO 5 -27.065 -10.791 7.707 35 HG3 PRO 5 HG1 PRO 5 -28.724 -11.415 7.603 36 HD2 PRO 5 HD2 PRO 5 -27.587 -9.691 5.771 37 HD3 PRO 5 HD1 PRO 5 -29.330 -9.886 6.032 38 H GLN 6 HN GLN 6 -26.414 -7.290 7.023 39 HA GLN 6 HA GLN 6 -24.105 -7.909 8.517 40 HB2 GLN 6 HB2 GLN 6 -24.468 -5.776 6.404 41 HB3 GLN 6 HB1 GLN 6 -22.931 -6.413 6.971 42 HG2 GLN 6 HG2 GLN 6 -25.049 -7.840 5.387 43 HG3 GLN 6 HG1 GLN 6 -23.402 -7.448 4.896 44 HE21 GLN 6 HE21 GLN 6 -21.674 -8.567 5.920 45 HE22 GLN 6 HE22 GLN 6 -21.916 -10.145 6.574 46 H GLU 7 HN GLU 7 -22.694 -6.496 9.642 47 HA GLU 7 HA GLU 7 -24.148 -4.630 11.314 48 HB2 GLU 7 HB2 GLU 7 -22.600 -6.239 12.320 49 HB3 GLU 7 HB1 GLU 7 -21.272 -5.557 11.389 50 HG2 GLU 7 HG2 GLU 7 -21.453 -3.471 12.578 51 HG3 GLU 7 HG1 GLU 7 -22.874 -4.053 13.445 52 H ARG 8 HN ARG 8 -21.700 -4.595 8.822 53 HA ARG 8 HA ARG 8 -20.847 -2.923 7.531 54 HB2 ARG 8 HB2 ARG 8 -23.009 -1.299 8.874 55 HB3 ARG 8 HB1 ARG 8 -21.917 -0.623 7.674 56 HG2 ARG 8 HG2 ARG 8 -22.951 -1.650 5.955 57 HG3 ARG 8 HG1 ARG 8 -23.320 -3.095 6.898 58 HD2 ARG 8 HD2 ARG 8 -24.707 -0.502 7.465 59 HD3 ARG 8 HD1 ARG 8 -25.257 -1.553 6.160 60 HE ARG 8 HE ARG 8 -24.960 -3.067 8.511 61 HH11 ARG 8 HH11 ARG 8 -27.024 -0.568 7.177 62 HH12 ARG 8 HH12 ARG 8 -28.432 -1.098 8.043 63 HH21 ARG 8 HH21 ARG 8 -26.799 -3.753 9.654 64 HH22 ARG 8 HH22 ARG 8 -28.298 -2.892 9.473 65 HA PRO 9 HA PRO 9 -18.354 -1.710 11.254 66 HB2 PRO 9 HB2 PRO 9 -15.999 -2.700 10.290 67 HB3 PRO 9 HB1 PRO 9 -17.154 -3.671 11.224 68 HG2 PRO 9 HG2 PRO 9 -16.715 -3.580 8.285 69 HG3 PRO 9 HG1 PRO 9 -17.043 -4.969 9.341 70 HD2 PRO 9 HD2 PRO 9 -18.951 -3.819 7.797 71 HD3 PRO 9 HD1 PRO 9 -19.302 -4.605 9.349 72 H ARG 10 HN ARG 10 -16.501 -0.235 11.342 73 HA ARG 10 HA ARG 10 -16.565 1.586 9.060 74 HB2 ARG 10 HB2 ARG 10 -15.853 1.905 11.958 75 HB3 ARG 10 HB1 ARG 10 -15.321 3.093 10.778 76 HG2 ARG 10 HG2 ARG 10 -17.311 3.953 11.661 77 HG3 ARG 10 HG1 ARG 10 -17.760 3.289 10.092 78 HD2 ARG 10 HD2 ARG 10 -18.275 1.137 11.530 79 HD3 ARG 10 HD1 ARG 10 -18.418 2.315 12.831 80 HE ARG 10 HE ARG 10 -19.942 3.270 10.721 81 HH11 ARG 10 HH11 ARG 10 -19.936 0.500 12.862 82 HH12 ARG 10 HH12 ARG 10 -21.642 0.232 12.733 83 HH21 ARG 10 HH21 ARG 10 -22.190 2.914 10.548 84 HH22 ARG 10 HH22 ARG 10 -22.925 1.603 11.415 85 H LYS 11 HN LYS 11 -14.666 -0.903 10.092 86 HA LYS 11 HA LYS 11 -12.192 0.335 9.090 87 HB2 LYS 11 HB2 LYS 11 -12.671 -1.991 10.940 88 HB3 LYS 11 HB1 LYS 11 -11.128 -1.774 10.125 89 HG2 LYS 11 HG2 LYS 11 -10.729 0.280 11.234 90 HG3 LYS 11 HG1 LYS 11 -12.387 0.354 11.832 91 HD2 LYS 11 HD2 LYS 11 -12.004 -1.537 13.277 92 HD3 LYS 11 HD1 LYS 11 -10.391 -1.778 12.600 93 HE2 LYS 11 HE2 LYS 11 -11.198 0.783 13.950 94 HE3 LYS 11 HE1 LYS 11 -10.560 -0.589 14.855 95 HZ1 LYS 11 HZ1 LYS 11 -9.043 1.335 13.817 96 HZ2 LYS 11 HZ2 LYS 11 -8.999 0.220 12.545 97 HZ3 LYS 11 HZ3 LYS 11 -8.493 -0.237 14.092 98 H LEU 12 HN LEU 12 -11.260 -0.399 7.281 99 HA LEU 12 HA LEU 12 -12.674 -1.777 5.361 100 HB2 LEU 12 HB2 LEU 12 -10.693 -0.292 5.007 101 HB3 LEU 12 HB1 LEU 12 -9.672 -1.632 5.492 102 HG LEU 12 HG LEU 12 -10.702 -2.953 3.589 103 HD11 LEU 12 HD11 LEU 12 -12.680 -1.632 3.210 104 HD12 LEU 12 HD12 LEU 12 -11.676 -1.610 1.761 105 HD13 LEU 12 HD13 LEU 12 -11.703 -0.214 2.835 106 HD21 LEU 12 HD21 LEU 12 -9.262 -1.911 1.907 107 HD22 LEU 12 HD22 LEU 12 -8.458 -2.020 3.472 108 HD23 LEU 12 HD23 LEU 12 -9.114 -0.479 2.925 109 HA PRO 13 HA PRO 13 -10.001 -5.807 6.286 110 HB2 PRO 13 HB2 PRO 13 -9.507 -6.040 9.026 111 HB3 PRO 13 HB1 PRO 13 -8.304 -5.613 7.798 112 HG2 PRO 13 HG2 PRO 13 -9.824 -3.855 9.637 113 HG3 PRO 13 HG1 PRO 13 -8.148 -3.723 9.068 114 HD2 PRO 13 HD2 PRO 13 -10.071 -2.159 8.070 115 HD3 PRO 13 HD1 PRO 13 -8.762 -2.788 7.045 116 H GLN 14 HN GLN 14 -12.058 -4.456 8.848 117 HA GLN 14 HA GLN 14 -13.315 -6.918 9.499 118 HB2 GLN 14 HB2 GLN 14 -14.184 -4.068 9.987 119 HB3 GLN 14 HB1 GLN 14 -14.975 -5.479 10.674 120 HG2 GLN 14 HG2 GLN 14 -13.065 -6.029 11.968 121 HG3 GLN 14 HG1 GLN 14 -12.075 -4.838 11.123 122 HE21 GLN 14 HE21 GLN 14 -12.641 -5.133 13.968 123 HE22 GLN 14 HE22 GLN 14 -13.320 -3.627 14.472 124 H LEU 15 HN LEU 15 -14.013 -4.356 7.210 125 HA LEU 15 HA LEU 15 -16.644 -5.148 6.552 126 HB2 LEU 15 HB2 LEU 15 -15.738 -2.947 5.951 127 HB3 LEU 15 HB1 LEU 15 -14.590 -3.705 4.867 128 HG LEU 15 HG LEU 15 -16.459 -4.507 3.468 129 HD11 LEU 15 HD11 LEU 15 -18.705 -3.554 3.847 130 HD12 LEU 15 HD12 LEU 15 -18.147 -2.922 5.397 131 HD13 LEU 15 HD13 LEU 15 -18.204 -4.664 5.122 132 HD21 LEU 15 HD21 LEU 15 -16.849 -2.470 2.383 133 HD22 LEU 15 HD22 LEU 15 -15.291 -2.257 3.183 134 HD23 LEU 15 HD23 LEU 15 -16.749 -1.551 3.882 135 H CYS 16 HN CYS 16 -13.471 -6.146 5.463 136 HA CYS 16 HA CYS 16 -14.282 -7.683 3.244 137 HB2 CYS 16 HB2 CYS 16 -11.881 -8.132 5.026 138 HB3 CYS 16 HB1 CYS 16 -12.084 -8.705 3.374 139 HG CYS 16 HG CYS 16 -12.037 -5.372 4.130 140 H THR 17 HN THR 17 -13.874 -8.436 6.681 141 HA THR 17 HA THR 17 -14.310 -11.202 6.523 142 HB THR 17 HB THR 17 -15.375 -9.826 8.914 143 HG1 THR 17 HG1 THR 17 -12.961 -9.511 9.432 144 HG21 THR 17 HG21 THR 17 -14.001 -11.468 10.061 145 HG22 THR 17 HG22 THR 17 -13.234 -11.926 8.541 146 HG23 THR 17 HG23 THR 17 -14.946 -12.260 8.801 147 H GLU 18 HN GLU 18 -16.562 -8.500 7.007 148 HA GLU 18 HA GLU 18 -18.903 -10.032 7.324 149 HB2 GLU 18 HB2 GLU 18 -18.533 -7.225 6.263 150 HB3 GLU 18 HB1 GLU 18 -20.091 -7.933 6.664 151 HG2 GLU 18 HG2 GLU 18 -18.314 -8.241 8.876 152 HG3 GLU 18 HG1 GLU 18 -18.322 -6.559 8.355 153 H LEU 19 HN LEU 19 -17.216 -8.829 4.503 154 HA LEU 19 HA LEU 19 -19.262 -9.680 2.648 155 HB2 LEU 19 HB2 LEU 19 -16.634 -8.316 2.478 156 HB3 LEU 19 HB1 LEU 19 -17.144 -9.221 1.065 157 HG LEU 19 HG LEU 19 -18.982 -7.207 2.313 158 HD11 LEU 19 HD11 LEU 19 -18.095 -5.521 0.788 159 HD12 LEU 19 HD12 LEU 19 -16.823 -6.639 0.292 160 HD13 LEU 19 HD13 LEU 19 -16.875 -6.043 1.951 161 HD21 LEU 19 HD21 LEU 19 -19.840 -7.080 0.024 162 HD22 LEU 19 HD22 LEU 19 -19.895 -8.729 0.648 163 HD23 LEU 19 HD23 LEU 19 -18.633 -8.261 -0.492 164 H GLN 20 HN GLN 20 -17.028 -11.273 4.431 165 HA GLN 20 HA GLN 20 -16.103 -13.338 4.416 166 HB2 GLN 20 HB2 GLN 20 -18.026 -13.935 2.159 167 HB3 GLN 20 HB1 GLN 20 -17.250 -15.102 3.222 168 HG2 GLN 20 HG2 GLN 20 -18.472 -14.114 5.129 169 HG3 GLN 20 HG1 GLN 20 -19.314 -13.053 4.000 170 HE21 GLN 20 HE21 GLN 20 -21.322 -13.893 4.486 171 HE22 GLN 20 HE22 GLN 20 -21.811 -15.477 4.002 172 H THR 21 HN THR 21 -14.673 -11.445 3.076 173 HA THR 21 HA THR 21 -13.222 -13.082 1.174 174 HB THR 21 HB THR 21 -14.935 -11.809 -0.166 175 HG1 THR 21 HG1 THR 21 -13.389 -11.212 -1.747 176 HG21 THR 21 HG21 THR 21 -13.263 -9.420 0.631 177 HG22 THR 21 HG22 THR 21 -14.925 -9.729 1.135 178 HG23 THR 21 HG23 THR 21 -14.561 -9.428 -0.564 179 H THR 22 HN THR 22 -11.354 -11.375 0.257 180 HA THR 22 HA THR 22 -10.171 -10.288 2.729 181 HB THR 22 HB THR 22 -7.971 -10.577 1.555 182 HG1 THR 22 HG1 THR 22 -8.955 -12.480 -0.163 183 HG21 THR 22 HG21 THR 22 -8.740 -12.195 3.218 184 HG22 THR 22 HG22 THR 22 -7.843 -12.993 1.926 185 HG23 THR 22 HG23 THR 22 -9.603 -13.083 1.963 186 H ILE 23 HN ILE 23 -8.379 -8.624 2.142 187 HA ILE 23 HA ILE 23 -9.665 -6.367 0.997 188 HB ILE 23 HB ILE 23 -6.715 -6.591 1.597 189 HG12 ILE 23 HG12 ILE 23 -8.937 -5.890 3.531 190 HG13 ILE 23 HG11 ILE 23 -8.062 -7.417 3.517 191 HG21 ILE 23 HG21 ILE 23 -7.389 -4.570 0.421 192 HG22 ILE 23 HG22 ILE 23 -6.906 -4.196 2.076 193 HG23 ILE 23 HG23 ILE 23 -8.617 -4.249 1.649 194 HD11 ILE 23 HD11 ILE 23 -6.865 -4.705 4.038 195 HD12 ILE 23 HD12 ILE 23 -5.993 -6.238 4.036 196 HD13 ILE 23 HD13 ILE 23 -7.234 -5.933 5.251 197 H HIS 24 HN HIS 24 -7.944 -8.922 -0.386 198 HA HIS 24 HA HIS 24 -6.918 -7.386 -2.630 199 HB2 HIS 24 HB2 HIS 24 -6.894 -10.391 -2.330 200 HB3 HIS 24 HB1 HIS 24 -5.864 -9.400 -3.357 201 HD1 HIS 24 HD1 HIS 24 -3.937 -8.040 -2.127 202 HD2 HIS 24 HD2 HIS 24 -6.033 -10.738 0.244 203 HE1 HIS 24 HE1 HIS 24 -2.588 -8.328 -0.004 204 H ASP 25 HN ASP 25 -9.846 -8.720 -1.784 205 HA ASP 25 HA ASP 25 -10.583 -9.080 -4.616 206 HB2 ASP 25 HB2 ASP 25 -10.681 -11.217 -3.490 207 HB3 ASP 25 HB1 ASP 25 -11.649 -10.531 -2.191 208 H ILE 26 HN ILE 26 -11.365 -7.621 -1.565 209 HA ILE 26 HA ILE 26 -14.020 -6.902 -2.017 210 HB ILE 26 HB ILE 26 -12.973 -6.699 0.174 211 HG12 ILE 26 HG12 ILE 26 -13.921 -3.994 -0.783 212 HG13 ILE 26 HG11 ILE 26 -14.992 -5.347 -0.432 213 HG21 ILE 26 HG21 ILE 26 -10.775 -5.858 -0.639 214 HG22 ILE 26 HG22 ILE 26 -11.420 -4.977 0.747 215 HG23 ILE 26 HG23 ILE 26 -11.522 -4.275 -0.867 216 HD11 ILE 26 HD11 ILE 26 -13.150 -4.013 1.539 217 HD12 ILE 26 HD12 ILE 26 -14.269 -5.332 1.886 218 HD13 ILE 26 HD13 ILE 26 -14.888 -3.751 1.410 219 H ILE 27 HN ILE 27 -14.962 -5.567 -3.379 220 HA ILE 27 HA ILE 27 -13.301 -3.627 -4.836 221 HB ILE 27 HB ILE 27 -15.969 -4.833 -5.590 222 HG12 ILE 27 HG12 ILE 27 -14.105 -6.416 -5.802 223 HG13 ILE 27 HG11 ILE 27 -14.724 -5.952 -7.382 224 HG21 ILE 27 HG21 ILE 27 -15.715 -3.685 -7.723 225 HG22 ILE 27 HG22 ILE 27 -14.216 -2.944 -7.160 226 HG23 ILE 27 HG23 ILE 27 -15.747 -2.530 -6.388 227 HD11 ILE 27 HD11 ILE 27 -12.847 -4.352 -7.588 228 HD12 ILE 27 HD12 ILE 27 -12.338 -6.035 -7.471 229 HD13 ILE 27 HD13 ILE 27 -12.201 -4.975 -6.070 230 H LEU 28 HN LEU 28 -13.492 -1.599 -4.198 231 HA LEU 28 HA LEU 28 -16.113 -0.660 -3.247 232 HB2 LEU 28 HB2 LEU 28 -13.585 -0.650 -1.876 233 HB3 LEU 28 HB1 LEU 28 -14.114 1.000 -2.141 234 HG LEU 28 HG LEU 28 -16.276 0.443 -1.038 235 HD11 LEU 28 HD11 LEU 28 -16.523 -1.609 0.193 236 HD12 LEU 28 HD12 LEU 28 -14.922 -2.147 -0.312 237 HD13 LEU 28 HD13 LEU 28 -16.214 -1.984 -1.501 238 HD21 LEU 28 HD21 LEU 28 -13.681 0.139 0.431 239 HD22 LEU 28 HD22 LEU 28 -15.226 0.086 1.278 240 HD23 LEU 28 HD23 LEU 28 -14.772 1.526 0.370 241 H GLU 29 HN GLU 29 -16.681 1.462 -3.823 242 HA GLU 29 HA GLU 29 -15.126 2.525 -6.082 243 HB2 GLU 29 HB2 GLU 29 -18.044 3.051 -5.502 244 HB3 GLU 29 HB1 GLU 29 -17.167 3.383 -6.989 245 HG2 GLU 29 HG2 GLU 29 -16.877 0.963 -7.332 246 HG3 GLU 29 HG1 GLU 29 -17.816 0.663 -5.873 247 H CYS 30 HN CYS 30 -15.094 4.870 -6.330 248 HA CYS 30 HA CYS 30 -14.383 6.172 -3.919 249 HB2 CYS 30 HB2 CYS 30 -13.332 6.785 -6.038 250 HB3 CYS 30 HB1 CYS 30 -14.881 7.328 -6.673 251 H VAL 31 HN VAL 31 -15.407 7.640 -2.694 252 HA VAL 31 HA VAL 31 -18.246 7.635 -2.710 253 HB VAL 31 HB VAL 31 -16.987 7.761 -0.619 254 HG11 VAL 31 HG11 VAL 31 -15.876 9.852 0.052 255 HG12 VAL 31 HG12 VAL 31 -16.125 10.481 -1.578 256 HG13 VAL 31 HG13 VAL 31 -15.095 9.071 -1.323 257 HG21 VAL 31 HG21 VAL 31 -18.638 10.245 -1.061 258 HG22 VAL 31 HG22 VAL 31 -18.273 9.494 0.494 259 HG23 VAL 31 HG23 VAL 31 -19.272 8.643 -0.683 260 H TYR 32 HN TYR 32 -15.868 9.668 -4.185 261 HA TYR 32 HA TYR 32 -17.889 11.754 -4.630 262 HB2 TYR 32 HB2 TYR 32 -14.884 11.828 -4.870 263 HB3 TYR 32 HB1 TYR 32 -15.930 13.141 -5.401 264 HD1 TYR 32 HD2 TYR 32 -17.667 13.949 -3.571 265 HD2 TYR 32 HD1 TYR 32 -14.021 11.928 -2.730 266 HE1 TYR 32 HE2 TYR 32 -17.703 14.846 -1.285 267 HE2 TYR 32 HE1 TYR 32 -14.049 12.820 -0.437 268 HH TYR 32 HH TYR 32 -16.786 14.272 0.931 269 H CYS 33 HN CYS 33 -15.215 10.298 -6.513 270 HA CYS 33 HA CYS 33 -16.337 11.041 -9.008 271 HB2 CYS 33 HB2 CYS 33 -14.306 8.871 -8.487 272 HB3 CYS 33 HB1 CYS 33 -14.547 9.765 -9.986 273 H LYS 34 HN LYS 34 -16.890 8.398 -6.897 274 HA LYS 34 HA LYS 34 -18.342 6.658 -6.930 275 HB2 LYS 34 HB2 LYS 34 -19.388 7.768 -9.538 276 HB3 LYS 34 HB1 LYS 34 -20.206 6.638 -8.471 277 HG2 LYS 34 HG2 LYS 34 -19.502 9.482 -7.773 278 HG3 LYS 34 HG1 LYS 34 -21.089 8.925 -8.307 279 HD2 LYS 34 HD2 LYS 34 -21.129 7.386 -6.342 280 HD3 LYS 34 HD1 LYS 34 -19.630 8.137 -5.786 281 HE2 LYS 34 HE2 LYS 34 -22.208 9.621 -6.295 282 HE3 LYS 34 HE1 LYS 34 -21.680 9.054 -4.712 283 HZ1 LYS 34 HZ1 LYS 34 -21.180 11.447 -5.280 284 HZ2 LYS 34 HZ2 LYS 34 -20.026 10.869 -6.372 285 HZ3 LYS 34 HZ3 LYS 34 -19.871 10.530 -4.719 286 H GLN 35 HN GLN 35 -15.795 6.892 -8.784 287 HA GLN 35 HA GLN 35 -16.288 4.692 -10.608 288 HB2 GLN 35 HB2 GLN 35 -13.965 5.050 -11.341 289 HB3 GLN 35 HB1 GLN 35 -14.902 6.534 -11.403 290 HG2 GLN 35 HG2 GLN 35 -13.711 7.527 -9.745 291 HG3 GLN 35 HG1 GLN 35 -13.343 6.005 -8.939 292 HE21 GLN 35 HE21 GLN 35 -12.310 4.674 -11.259 293 HE22 GLN 35 HE22 GLN 35 -10.788 5.405 -11.625 294 H GLN 36 HN GLN 36 -15.122 2.727 -10.563 295 HA GLN 36 HA GLN 36 -14.804 1.657 -7.949 296 HB2 GLN 36 HB2 GLN 36 -13.946 0.448 -10.586 297 HB3 GLN 36 HB1 GLN 36 -14.204 -0.415 -9.074 298 HG2 GLN 36 HG2 GLN 36 -16.601 0.774 -9.362 299 HG3 GLN 36 HG1 GLN 36 -16.147 0.572 -11.051 300 HE21 GLN 36 HE21 GLN 36 -18.186 -0.683 -9.259 301 HE22 GLN 36 HE22 GLN 36 -17.956 -2.389 -9.485 302 H LEU 37 HN LEU 37 -13.019 1.330 -6.749 303 HA LEU 37 HA LEU 37 -10.618 2.736 -7.515 304 HB2 LEU 37 HB2 LEU 37 -11.787 1.661 -5.060 305 HB3 LEU 37 HB1 LEU 37 -10.057 1.407 -5.159 306 HG LEU 37 HG LEU 37 -9.809 3.878 -5.585 307 HD11 LEU 37 HD11 LEU 37 -12.038 4.389 -6.344 308 HD12 LEU 37 HD12 LEU 37 -11.696 5.307 -4.880 309 HD13 LEU 37 HD13 LEU 37 -12.719 3.875 -4.804 310 HD21 LEU 37 HD21 LEU 37 -9.333 2.950 -3.410 311 HD22 LEU 37 HD22 LEU 37 -11.044 2.975 -2.986 312 HD23 LEU 37 HD23 LEU 37 -10.170 4.490 -3.217 313 H LEU 38 HN LEU 38 -8.629 1.846 -7.966 314 HA LEU 38 HA LEU 38 -8.664 -0.882 -8.897 315 HB2 LEU 38 HB2 LEU 38 -6.451 1.177 -8.871 316 HB3 LEU 38 HB1 LEU 38 -6.339 -0.402 -9.626 317 HG LEU 38 HG LEU 38 -8.322 1.726 -10.438 318 HD11 LEU 38 HD11 LEU 38 -5.669 0.968 -11.647 319 HD12 LEU 38 HD12 LEU 38 -6.119 2.521 -10.946 320 HD13 LEU 38 HD13 LEU 38 -6.881 1.976 -12.437 321 HD21 LEU 38 HD21 LEU 38 -8.574 0.302 -12.443 322 HD22 LEU 38 HD22 LEU 38 -9.101 -0.490 -10.958 323 HD23 LEU 38 HD23 LEU 38 -7.545 -0.910 -11.676 324 H ARG 39 HN ARG 39 -6.752 -2.301 -8.351 325 HA ARG 39 HA ARG 39 -6.791 -2.918 -5.619 326 HB2 ARG 39 HB2 ARG 39 -6.230 -4.423 -7.626 327 HB3 ARG 39 HB1 ARG 39 -4.597 -3.786 -7.483 328 HG2 ARG 39 HG2 ARG 39 -4.514 -4.617 -5.156 329 HG3 ARG 39 HG1 ARG 39 -6.112 -5.332 -5.387 330 HD2 ARG 39 HD2 ARG 39 -4.488 -7.054 -5.726 331 HD3 ARG 39 HD1 ARG 39 -5.166 -6.634 -7.298 332 HE ARG 39 HE ARG 39 -2.818 -5.133 -6.800 333 HH11 ARG 39 HH11 ARG 39 -3.868 -8.374 -7.595 334 HH12 ARG 39 HH12 ARG 39 -2.424 -8.766 -8.471 335 HH21 ARG 39 HH21 ARG 39 -0.895 -5.649 -7.923 336 HH22 ARG 39 HH22 ARG 39 -0.726 -7.212 -8.662 337 H ARG 40 HN ARG 40 -4.989 -0.578 -7.275 338 HA ARG 40 HA ARG 40 -2.673 -0.598 -5.582 339 HB2 ARG 40 HB2 ARG 40 -3.658 1.654 -7.326 340 HB3 ARG 40 HB1 ARG 40 -2.025 1.412 -6.723 341 HG2 ARG 40 HG2 ARG 40 -3.468 -0.263 -8.763 342 HG3 ARG 40 HG1 ARG 40 -2.131 0.848 -9.053 343 HD2 ARG 40 HD2 ARG 40 -2.014 -1.674 -7.404 344 HD3 ARG 40 HD1 ARG 40 -1.383 -1.476 -9.036 345 HE ARG 40 HE ARG 40 0.244 0.077 -8.134 346 HH11 ARG 40 HH11 ARG 40 -1.453 -1.918 -5.809 347 HH12 ARG 40 HH12 ARG 40 -0.210 -1.785 -4.604 348 HH21 ARG 40 HH21 ARG 40 1.880 0.235 -6.537 349 HH22 ARG 40 HH22 ARG 40 1.644 -0.566 -5.003 350 H GLU 41 HN GLU 41 -5.580 1.415 -5.903 351 HA GLU 41 HA GLU 41 -4.932 3.095 -3.711 352 HB2 GLU 41 HB2 GLU 41 -7.451 2.598 -5.280 353 HB3 GLU 41 HB1 GLU 41 -7.418 3.705 -3.917 354 HG2 GLU 41 HG2 GLU 41 -7.127 5.087 -5.755 355 HG3 GLU 41 HG1 GLU 41 -5.490 4.861 -5.145 356 H VAL 42 HN VAL 42 -6.760 0.104 -4.024 357 HA VAL 42 HA VAL 42 -8.086 0.171 -1.542 358 HB VAL 42 HB VAL 42 -7.148 -2.293 -3.033 359 HG11 VAL 42 HG11 VAL 42 -8.908 -3.456 -1.830 360 HG12 VAL 42 HG12 VAL 42 -9.360 -1.963 -1.008 361 HG13 VAL 42 HG13 VAL 42 -7.792 -2.704 -0.689 362 HG21 VAL 42 HG21 VAL 42 -9.814 -0.889 -3.171 363 HG22 VAL 42 HG22 VAL 42 -9.324 -2.322 -4.073 364 HG23 VAL 42 HG23 VAL 42 -8.550 -0.770 -4.397 365 H TYR 43 HN TYR 43 -4.881 -0.979 -2.460 366 HA TYR 43 HA TYR 43 -4.214 -2.154 0.036 367 HB2 TYR 43 HB2 TYR 43 -2.577 -1.168 -2.293 368 HB3 TYR 43 HB1 TYR 43 -1.812 -1.780 -0.833 369 HD1 TYR 43 HD1 TYR 43 -4.833 -3.522 -1.312 370 HD2 TYR 43 HD2 TYR 43 -0.838 -3.296 -2.762 371 HE1 TYR 43 HE1 TYR 43 -5.022 -5.813 -2.173 372 HE2 TYR 43 HE2 TYR 43 -1.020 -5.590 -3.629 373 HH TYR 43 HH TYR 43 -2.265 -7.518 -3.515 374 H ASP 44 HN ASP 44 -3.573 1.017 -1.386 375 HA ASP 44 HA ASP 44 -2.062 2.086 0.718 376 HB2 ASP 44 HB2 ASP 44 -2.435 2.996 -1.659 377 HB3 ASP 44 HB1 ASP 44 -3.910 3.711 -1.024 378 H PHE 45 HN PHE 45 -5.542 2.023 0.135 379 HA PHE 45 HA PHE 45 -6.352 3.720 2.215 380 HB2 PHE 45 HB2 PHE 45 -7.702 2.649 0.253 381 HB3 PHE 45 HB1 PHE 45 -7.982 1.337 1.390 382 HD1 PHE 45 HD1 PHE 45 -8.231 5.047 1.181 383 HD2 PHE 45 HD2 PHE 45 -9.836 1.433 2.749 384 HE1 PHE 45 HE1 PHE 45 -10.108 6.306 2.151 385 HE2 PHE 45 HE2 PHE 45 -11.716 2.684 3.722 386 HZ PHE 45 HZ PHE 45 -11.852 5.125 3.425 387 H ALA 46 HN ALA 46 -5.575 0.284 2.194 388 HA ALA 46 HA ALA 46 -6.492 -0.176 4.877 389 HB1 ALA 46 HB1 ALA 46 -5.579 -2.390 4.622 390 HB2 ALA 46 HB2 ALA 46 -4.679 -1.890 3.190 391 HB3 ALA 46 HB3 ALA 46 -6.440 -1.946 3.151 392 H PHE 47 HN PHE 47 -3.564 0.903 3.408 393 HA PHE 47 HA PHE 47 -1.848 0.246 5.617 394 HB2 PHE 47 HB2 PHE 47 -1.363 0.780 3.019 395 HB3 PHE 47 HB1 PHE 47 -1.053 2.371 3.704 396 HD1 PHE 47 HD1 PHE 47 0.014 -1.133 3.637 397 HD2 PHE 47 HD2 PHE 47 0.856 2.770 5.100 398 HE1 PHE 47 HE1 PHE 47 2.269 -1.870 4.298 399 HE2 PHE 47 HE2 PHE 47 3.110 2.045 5.763 400 HZ PHE 47 HZ PHE 47 3.816 -0.277 5.362 401 H ARG 48 HN ARG 48 -3.930 2.850 4.758 402 HA ARG 48 HA ARG 48 -2.704 4.714 6.620 403 HB2 ARG 48 HB2 ARG 48 -5.203 4.972 4.932 404 HB3 ARG 48 HB1 ARG 48 -4.489 6.263 5.889 405 HG2 ARG 48 HG2 ARG 48 -2.497 6.232 4.534 406 HG3 ARG 48 HG1 ARG 48 -3.099 4.845 3.628 407 HD2 ARG 48 HD2 ARG 48 -5.099 6.360 3.048 408 HD3 ARG 48 HD1 ARG 48 -4.067 7.682 3.585 409 HE ARG 48 HE ARG 48 -3.058 5.833 1.539 410 HH11 ARG 48 HH11 ARG 48 -4.048 9.076 2.466 411 HH12 ARG 48 HH12 ARG 48 -3.581 9.778 0.952 412 HH21 ARG 48 HH21 ARG 48 -2.441 6.762 -0.449 413 HH22 ARG 48 HH22 ARG 48 -2.694 8.463 -0.717 414 H ASP 49 HN ASP 49 -4.394 5.924 8.077 415 HA ASP 49 HA ASP 49 -5.768 3.837 9.625 416 HB2 ASP 49 HB2 ASP 49 -5.517 5.249 11.555 417 HB3 ASP 49 HB1 ASP 49 -3.958 5.143 10.750 418 H LEU 50 HN LEU 50 -6.771 5.351 7.254 419 HA LEU 50 HA LEU 50 -8.863 7.047 8.277 420 HB2 LEU 50 HB2 LEU 50 -7.557 6.949 5.907 421 HB3 LEU 50 HB1 LEU 50 -9.008 6.056 5.496 422 HG LEU 50 HG LEU 50 -10.053 8.246 6.754 423 HD11 LEU 50 HD11 LEU 50 -7.577 9.108 5.276 424 HD12 LEU 50 HD12 LEU 50 -7.976 9.402 6.967 425 HD13 LEU 50 HD13 LEU 50 -8.907 10.190 5.693 426 HD21 LEU 50 HD21 LEU 50 -9.454 7.812 3.835 427 HD22 LEU 50 HD22 LEU 50 -10.548 9.050 4.449 428 HD23 LEU 50 HD23 LEU 50 -10.911 7.344 4.710 429 H CYS 51 HN CYS 51 -11.136 6.612 7.939 430 HA CYS 51 HA CYS 51 -11.720 3.751 8.203 431 HB2 CYS 51 HB2 CYS 51 -13.419 6.124 9.009 432 HB3 CYS 51 HB1 CYS 51 -13.782 4.430 9.325 433 HG CYS 51 HG CYS 51 -10.798 5.265 10.499 434 H ILE 52 HN ILE 52 -14.038 3.206 7.445 435 HA ILE 52 HA ILE 52 -14.158 3.833 4.637 436 HB ILE 52 HB ILE 52 -16.195 2.258 6.206 437 HG12 ILE 52 HG12 ILE 52 -13.791 1.074 4.819 438 HG13 ILE 52 HG11 ILE 52 -13.786 1.467 6.537 439 HG21 ILE 52 HG21 ILE 52 -16.817 2.903 3.934 440 HG22 ILE 52 HG22 ILE 52 -16.594 1.158 4.062 441 HG23 ILE 52 HG23 ILE 52 -15.344 2.155 3.315 442 HD11 ILE 52 HD11 ILE 52 -14.274 -0.888 6.122 443 HD12 ILE 52 HD12 ILE 52 -15.700 -0.426 5.193 444 HD13 ILE 52 HD13 ILE 52 -15.615 -0.067 6.919 445 H VAL 53 HN VAL 53 -15.454 5.276 3.675 446 HA VAL 53 HA VAL 53 -17.207 6.868 5.365 447 HB VAL 53 HB VAL 53 -17.454 8.189 3.121 448 HG11 VAL 53 HG11 VAL 53 -14.879 8.153 4.700 449 HG12 VAL 53 HG12 VAL 53 -16.343 9.052 5.105 450 HG13 VAL 53 HG13 VAL 53 -15.422 9.471 3.660 451 HG21 VAL 53 HG21 VAL 53 -15.569 8.011 1.627 452 HG22 VAL 53 HG22 VAL 53 -16.364 6.440 1.750 453 HG23 VAL 53 HG23 VAL 53 -14.859 6.740 2.620 454 H TYR 54 HN TYR 54 -19.228 6.215 5.574 455 HA TYR 54 HA TYR 54 -20.471 4.660 3.447 456 HB2 TYR 54 HB2 TYR 54 -21.153 5.203 6.322 457 HB3 TYR 54 HB1 TYR 54 -22.355 4.545 5.219 458 HD1 TYR 54 HD1 TYR 54 -19.003 3.894 6.682 459 HD2 TYR 54 HD2 TYR 54 -22.383 2.255 4.684 460 HE1 TYR 54 HE1 TYR 54 -18.122 1.630 7.060 461 HE2 TYR 54 HE2 TYR 54 -21.509 -0.012 5.059 462 HH TYR 54 HH TYR 54 -18.708 -0.592 7.084 463 H ARG 55 HN ARG 55 -21.317 5.853 1.899 464 HA ARG 55 HA ARG 55 -22.658 8.372 2.576 465 HB2 ARG 55 HB2 ARG 55 -20.800 8.119 0.774 466 HB3 ARG 55 HB1 ARG 55 -22.066 7.408 -0.212 467 HG2 ARG 55 HG2 ARG 55 -22.480 10.079 1.056 468 HG3 ARG 55 HG1 ARG 55 -21.522 9.935 -0.416 469 HD2 ARG 55 HD2 ARG 55 -24.420 9.287 0.010 470 HD3 ARG 55 HD1 ARG 55 -23.701 10.407 -1.144 471 HE ARG 55 HE ARG 55 -22.808 7.774 -1.656 472 HH11 ARG 55 HH11 ARG 55 -25.621 9.818 -1.984 473 HH12 ARG 55 HH12 ARG 55 -26.272 8.919 -3.321 474 HH21 ARG 55 HH21 ARG 55 -23.691 6.558 -3.408 475 HH22 ARG 55 HH22 ARG 55 -25.194 7.073 -4.111 476 H ASP 56 HN ASP 56 -24.758 8.275 2.822 477 HA ASP 56 HA ASP 56 -26.955 7.817 2.527 478 HB2 ASP 56 HB2 ASP 56 -26.494 7.986 0.085 479 HB3 ASP 56 HB1 ASP 56 -26.153 6.257 0.061 480 H GLY 57 HN GLY 57 -25.455 4.855 1.280 481 HA2 GLY 57 HA2 GLY 57 -25.810 3.381 3.690 482 HA3 GLY 57 HA1 GLY 57 -27.104 3.032 2.547 483 H ASN 58 HN ASN 58 -23.886 3.878 1.532 484 HA ASN 58 HA ASN 58 -23.351 1.082 0.809 485 HB2 ASN 58 HB2 ASN 58 -24.133 3.029 -1.004 486 HB3 ASN 58 HB1 ASN 58 -22.379 3.028 -1.145 487 HD21 ASN 58 HD21 ASN 58 -24.261 2.244 -3.121 488 HD22 ASN 58 HD22 ASN 58 -23.960 0.581 -3.484 489 HA PRO 59 HA PRO 59 -19.419 2.213 2.628 490 HB2 PRO 59 HB2 PRO 59 -18.304 -0.231 1.503 491 HB3 PRO 59 HB1 PRO 59 -18.638 0.155 3.199 492 HG2 PRO 59 HG2 PRO 59 -20.014 -1.708 1.812 493 HG3 PRO 59 HG1 PRO 59 -20.706 -0.774 3.151 494 HD2 PRO 59 HD2 PRO 59 -21.058 -0.399 0.210 495 HD3 PRO 59 HD1 PRO 59 -22.242 -0.237 1.523 496 H TYR 60 HN TYR 60 -18.737 3.912 1.358 497 HA TYR 60 HA TYR 60 -17.553 3.279 -1.241 498 HB2 TYR 60 HB2 TYR 60 -18.431 5.844 0.063 499 HB3 TYR 60 HB1 TYR 60 -17.356 5.854 -1.328 500 HD1 TYR 60 HD1 TYR 60 -18.186 4.592 -3.443 501 HD2 TYR 60 HD2 TYR 60 -20.729 5.799 -0.255 502 HE1 TYR 60 HE1 TYR 60 -20.125 4.477 -4.953 503 HE2 TYR 60 HE2 TYR 60 -22.673 5.684 -1.754 504 HH TYR 60 HH TYR 60 -22.680 4.138 -4.662 505 H ALA 61 HN ALA 61 -15.483 4.237 -1.775 506 HA ALA 61 HA ALA 61 -13.719 4.394 0.580 507 HB1 ALA 61 HB1 ALA 61 -13.277 2.367 -0.663 508 HB2 ALA 61 HB2 ALA 61 -11.934 3.488 -0.874 509 HB3 ALA 61 HB3 ALA 61 -13.120 3.283 -2.161 510 H VAL 62 HN VAL 62 -11.661 5.578 0.079 511 HA VAL 62 HA VAL 62 -12.246 7.941 -1.575 512 HB VAL 62 HB VAL 62 -10.393 7.896 0.811 513 HG11 VAL 62 HG11 VAL 62 -10.495 10.283 0.682 514 HG12 VAL 62 HG12 VAL 62 -11.740 10.214 -0.563 515 HG13 VAL 62 HG13 VAL 62 -10.103 9.666 -0.921 516 HG21 VAL 62 HG21 VAL 62 -12.134 8.912 2.140 517 HG22 VAL 62 HG22 VAL 62 -12.701 7.358 1.522 518 HG23 VAL 62 HG23 VAL 62 -13.250 8.859 0.775 519 H CYS 63 HN CYS 63 -11.047 7.886 -3.375 520 HA CYS 63 HA CYS 63 -8.717 6.262 -3.594 521 HB2 CYS 63 HB2 CYS 63 -8.551 7.711 -5.811 522 HB3 CYS 63 HB1 CYS 63 -9.739 6.426 -5.639 523 H ASP 64 HN ASP 64 -6.617 7.163 -4.378 524 HA ASP 64 HA ASP 64 -5.440 8.778 -2.474 525 HB2 ASP 64 HB2 ASP 64 -4.196 7.275 -3.986 526 HB3 ASP 64 HB1 ASP 64 -4.494 8.387 -5.318 527 H LYS 65 HN LYS 65 -7.032 9.700 -5.431 528 HA LYS 65 HA LYS 65 -6.073 12.289 -5.777 529 HB2 LYS 65 HB2 LYS 65 -8.904 11.372 -6.287 530 HB3 LYS 65 HB1 LYS 65 -8.072 12.709 -7.068 531 HG2 LYS 65 HG2 LYS 65 -7.312 11.359 -8.644 532 HG3 LYS 65 HG1 LYS 65 -6.568 10.305 -7.440 533 HD2 LYS 65 HD2 LYS 65 -8.129 9.015 -8.748 534 HD3 LYS 65 HD1 LYS 65 -8.769 9.204 -7.118 535 HE2 LYS 65 HE2 LYS 65 -10.040 11.226 -8.077 536 HE3 LYS 65 HE1 LYS 65 -9.656 10.536 -9.652 537 HZ1 LYS 65 HZ1 LYS 65 -10.932 8.902 -7.552 538 HZ2 LYS 65 HZ2 LYS 65 -10.927 8.657 -9.232 539 HZ3 LYS 65 HZ3 LYS 65 -11.863 9.903 -8.559 540 H CYS 66 HN CYS 66 -9.115 11.327 -4.165 541 HA CYS 66 HA CYS 66 -9.546 13.921 -3.079 542 HB2 CYS 66 HB2 CYS 66 -10.895 11.642 -1.791 543 HB3 CYS 66 HB1 CYS 66 -11.578 13.098 -2.504 544 H LEU 67 HN LEU 67 -7.994 11.010 -1.968 545 HA LEU 67 HA LEU 67 -7.934 11.459 0.778 546 HB2 LEU 67 HB2 LEU 67 -6.330 9.868 -1.127 547 HB3 LEU 67 HB1 LEU 67 -5.597 10.179 0.433 548 HG LEU 67 HG LEU 67 -8.315 8.912 0.089 549 HD11 LEU 67 HD11 LEU 67 -5.583 7.693 0.395 550 HD12 LEU 67 HD12 LEU 67 -6.758 7.408 -0.891 551 HD13 LEU 67 HD13 LEU 67 -7.073 6.817 0.743 552 HD21 LEU 67 HD21 LEU 67 -8.042 9.946 2.251 553 HD22 LEU 67 HD22 LEU 67 -6.454 9.204 2.440 554 HD23 LEU 67 HD23 LEU 67 -7.900 8.195 2.435 555 H LYS 68 HN LYS 68 -5.798 12.766 -1.722 556 HA LYS 68 HA LYS 68 -3.946 13.801 0.234 557 HB2 LYS 68 HB2 LYS 68 -2.766 14.782 -1.636 558 HB3 LYS 68 HB1 LYS 68 -3.172 13.111 -1.989 559 HG2 LYS 68 HG2 LYS 68 -5.116 13.952 -3.325 560 HG3 LYS 68 HG1 LYS 68 -4.480 15.583 -3.101 561 HD2 LYS 68 HD2 LYS 68 -3.489 15.060 -5.101 562 HD3 LYS 68 HD1 LYS 68 -2.259 14.445 -3.994 563 HE2 LYS 68 HE2 LYS 68 -3.795 12.278 -4.144 564 HE3 LYS 68 HE1 LYS 68 -4.167 12.972 -5.720 565 HZ1 LYS 68 HZ1 LYS 68 -2.173 11.341 -5.389 566 HZ2 LYS 68 HZ2 LYS 68 -1.358 12.750 -4.908 567 HZ3 LYS 68 HZ3 LYS 68 -2.042 12.659 -6.451 568 H PHE 69 HN PHE 69 -6.759 14.950 -1.449 569 HA PHE 69 HA PHE 69 -6.256 17.707 -0.890 570 HB2 PHE 69 HB2 PHE 69 -8.612 16.199 -1.980 571 HB3 PHE 69 HB1 PHE 69 -8.755 17.892 -1.524 572 HD1 PHE 69 HD2 PHE 69 -6.685 19.373 -2.468 573 HD2 PHE 69 HD1 PHE 69 -8.225 15.803 -4.202 574 HE1 PHE 69 HE2 PHE 69 -5.774 20.032 -4.648 575 HE2 PHE 69 HE1 PHE 69 -7.313 16.463 -6.395 576 HZ PHE 69 HZ PHE 69 -6.087 18.588 -6.617 577 H TYR 70 HN TYR 70 -7.747 15.101 0.795 578 HA TYR 70 HA TYR 70 -9.072 16.918 2.641 579 HB2 TYR 70 HB2 TYR 70 -9.362 14.027 1.985 580 HB3 TYR 70 HB1 TYR 70 -9.873 14.593 3.575 581 HD1 TYR 70 HD1 TYR 70 -11.622 16.328 3.760 582 HD2 TYR 70 HD2 TYR 70 -10.660 14.510 0.033 583 HE1 TYR 70 HE1 TYR 70 -13.739 17.143 2.818 584 HE2 TYR 70 HE2 TYR 70 -12.780 15.326 -0.915 585 HH TYR 70 HH TYR 70 -15.172 15.981 0.281 586 H MET 1 HT1 MET 1 23.217 6.097 -0.189 587 HA MET 1 HA MET 1 25.359 5.391 0.513 588 HB2 MET 1 HB2 MET 1 26.756 6.755 1.949 589 HB3 MET 1 HB1 MET 1 26.415 7.634 0.467 590 HG2 MET 1 HG2 MET 1 24.780 8.993 1.589 591 HG3 MET 1 HG1 MET 1 24.959 8.049 3.067 592 HE1 MET 1 HE1 MET 1 27.316 7.792 4.275 593 HE2 MET 1 HE2 MET 1 28.640 8.945 4.114 594 HE3 MET 1 HE3 MET 1 28.357 7.747 2.853 595 H PHE 2 HN PHE 2 25.378 4.081 2.277 596 HA PHE 2 HA PHE 2 23.844 4.773 4.637 597 HB2 PHE 2 HB2 PHE 2 22.498 3.432 2.676 598 HB3 PHE 2 HB1 PHE 2 23.139 2.095 3.627 599 HD1 PHE 2 HD1 PHE 2 21.723 5.445 4.477 600 HD2 PHE 2 HD2 PHE 2 21.539 1.231 5.026 601 HE1 PHE 2 HE1 PHE 2 19.899 5.739 6.096 602 HE2 PHE 2 HE2 PHE 2 19.713 1.519 6.647 603 HZ PHE 2 HZ PHE 2 18.889 3.777 7.185 604 H GLN 3 HN GLN 3 25.532 4.556 5.971 605 HA GLN 3 HA GLN 3 26.726 1.896 6.206 606 HB2 GLN 3 HB2 GLN 3 28.867 3.401 6.861 607 HB3 GLN 3 HB1 GLN 3 28.601 2.744 5.255 608 HG2 GLN 3 HG2 GLN 3 29.257 5.037 5.068 609 HG3 GLN 3 HG1 GLN 3 27.570 4.883 4.587 610 HE21 GLN 3 HE21 GLN 3 29.762 6.064 7.016 611 HE22 GLN 3 HE22 GLN 3 28.635 7.109 7.809 612 H ASP 4 HN ASP 4 28.364 2.230 8.296 613 HA ASP 4 HA ASP 4 26.834 2.094 10.549 614 HB2 ASP 4 HB2 ASP 4 29.236 1.463 10.373 615 HB3 ASP 4 HB1 ASP 4 29.662 3.168 10.425 616 HA PRO 5 HA PRO 5 26.657 2.549 12.765 617 HB2 PRO 5 HB2 PRO 5 24.490 3.362 14.147 618 HB3 PRO 5 HB1 PRO 5 26.117 3.980 14.490 619 HG2 PRO 5 HG2 PRO 5 23.919 5.244 12.924 620 HG3 PRO 5 HG1 PRO 5 25.012 5.968 14.118 621 HD2 PRO 5 HD2 PRO 5 25.377 6.207 11.436 622 HD3 PRO 5 HD1 PRO 5 26.709 6.227 12.609 623 H GLN 6 HN GLN 6 24.646 3.678 10.276 624 HA GLN 6 HA GLN 6 22.392 1.993 10.672 625 HB2 GLN 6 HB2 GLN 6 23.524 3.293 8.193 626 HB3 GLN 6 HB1 GLN 6 22.045 2.345 8.181 627 HG2 GLN 6 HG2 GLN 6 21.177 4.435 8.412 628 HG3 GLN 6 HG1 GLN 6 21.360 3.992 10.107 629 HE21 GLN 6 HE21 GLN 6 22.592 5.941 7.506 630 HE22 GLN 6 HE22 GLN 6 23.555 6.990 8.484 631 H GLU 7 HN GLU 7 22.479 -0.139 10.767 632 HA GLU 7 HA GLU 7 24.677 -1.627 9.662 633 HB2 GLU 7 HB2 GLU 7 23.543 -2.176 11.827 634 HB3 GLU 7 HB1 GLU 7 22.137 -2.690 10.907 635 HG2 GLU 7 HG2 GLU 7 23.617 -4.540 11.656 636 HG3 GLU 7 HG1 GLU 7 23.346 -4.485 9.915 637 H ARG 8 HN ARG 8 21.774 -0.521 8.417 638 HA ARG 8 HA ARG 8 20.735 -0.800 6.415 639 HB2 ARG 8 HB2 ARG 8 22.966 -2.723 5.728 640 HB3 ARG 8 HB1 ARG 8 21.853 -1.965 4.600 641 HG2 ARG 8 HG2 ARG 8 23.004 -0.036 4.558 642 HG3 ARG 8 HG1 ARG 8 23.400 -0.111 6.276 643 HD2 ARG 8 HD2 ARG 8 24.713 -1.690 4.066 644 HD3 ARG 8 HD1 ARG 8 25.407 -0.306 4.910 645 HE ARG 8 HE ARG 8 24.675 -2.351 6.744 646 HH11 ARG 8 HH11 ARG 8 27.100 -1.516 4.368 647 HH12 ARG 8 HH12 ARG 8 28.354 -2.434 5.133 648 HH21 ARG 8 HH21 ARG 8 26.327 -3.542 7.784 649 HH22 ARG 8 HH22 ARG 8 27.914 -3.588 7.075 650 HA PRO 9 HA PRO 9 18.801 -4.643 8.066 651 HB2 PRO 9 HB2 PRO 9 16.332 -3.091 7.766 652 HB3 PRO 9 HB1 PRO 9 17.006 -3.851 9.219 653 HG2 PRO 9 HG2 PRO 9 16.916 -1.193 8.915 654 HG3 PRO 9 HG1 PRO 9 18.219 -2.012 9.797 655 HD2 PRO 9 HD2 PRO 9 18.232 -0.920 7.012 656 HD3 PRO 9 HD1 PRO 9 19.491 -0.837 8.265 657 H ARG 10 HN ARG 10 17.220 -6.049 7.057 658 HA ARG 10 HA ARG 10 17.152 -5.627 4.161 659 HB2 ARG 10 HB2 ARG 10 17.315 -7.987 5.918 660 HB3 ARG 10 HB1 ARG 10 16.312 -8.186 4.489 661 HG2 ARG 10 HG2 ARG 10 18.626 -8.914 4.127 662 HG3 ARG 10 HG1 ARG 10 18.159 -7.596 3.053 663 HD2 ARG 10 HD2 ARG 10 19.312 -6.003 4.528 664 HD3 ARG 10 HD1 ARG 10 19.784 -7.333 5.585 665 HE ARG 10 HE ARG 10 20.619 -7.767 2.898 666 HH11 ARG 10 HH11 ARG 10 21.435 -5.943 5.775 667 HH12 ARG 10 HH12 ARG 10 23.135 -5.937 5.440 668 HH21 ARG 10 HH21 ARG 10 22.843 -7.733 2.438 669 HH22 ARG 10 HH22 ARG 10 23.939 -6.966 3.544 670 H LYS 11 HN LYS 11 15.179 -4.869 6.559 671 HA LYS 11 HA LYS 11 12.776 -5.557 5.014 672 HB2 LYS 11 HB2 LYS 11 13.224 -5.570 7.968 673 HB3 LYS 11 HB1 LYS 11 11.625 -5.180 7.349 674 HG2 LYS 11 HG2 LYS 11 13.154 -7.699 6.722 675 HG3 LYS 11 HG1 LYS 11 11.870 -7.556 7.925 676 HD2 LYS 11 HD2 LYS 11 10.295 -6.905 6.154 677 HD3 LYS 11 HD1 LYS 11 11.580 -7.065 4.957 678 HE2 LYS 11 HE2 LYS 11 11.804 -9.456 5.599 679 HE3 LYS 11 HE1 LYS 11 10.420 -9.256 6.672 680 HZ1 LYS 11 HZ1 LYS 11 10.476 -9.113 3.717 681 HZ2 LYS 11 HZ2 LYS 11 9.193 -8.479 4.618 682 HZ3 LYS 11 HZ3 LYS 11 9.544 -10.133 4.705 683 H LEU 12 HN LEU 12 11.282 -3.993 4.652 684 HA LEU 12 HA LEU 12 12.139 -1.385 4.345 685 HB2 LEU 12 HB2 LEU 12 10.300 -2.440 3.102 686 HB3 LEU 12 HB1 LEU 12 9.297 -2.364 4.536 687 HG LEU 12 HG LEU 12 9.475 0.126 4.462 688 HD11 LEU 12 HD11 LEU 12 10.771 -0.404 1.793 689 HD12 LEU 12 HD12 LEU 12 11.547 0.317 3.202 690 HD13 LEU 12 HD13 LEU 12 10.238 1.168 2.384 691 HD21 LEU 12 HD21 LEU 12 7.502 -0.887 3.606 692 HD22 LEU 12 HD22 LEU 12 8.311 -1.343 2.108 693 HD23 LEU 12 HD23 LEU 12 7.989 0.356 2.455 694 HA PRO 13 HA PRO 13 9.429 -0.071 8.246 695 HB2 PRO 13 HB2 PRO 13 9.495 -2.066 10.198 696 HB3 PRO 13 HB1 PRO 13 8.100 -1.680 9.175 697 HG2 PRO 13 HG2 PRO 13 10.126 -3.833 8.866 698 HG3 PRO 13 HG1 PRO 13 8.378 -3.863 8.553 699 HD2 PRO 13 HD2 PRO 13 10.123 -3.692 6.544 700 HD3 PRO 13 HD1 PRO 13 8.590 -2.794 6.507 701 H GLN 14 HN GLN 14 12.013 -2.449 8.740 702 HA GLN 14 HA GLN 14 13.235 -1.107 10.915 703 HB2 GLN 14 HB2 GLN 14 14.318 -3.148 8.971 704 HB3 GLN 14 HB1 GLN 14 15.178 -2.601 10.402 705 HG2 GLN 14 HG2 GLN 14 13.571 -3.569 11.846 706 HG3 GLN 14 HG1 GLN 14 12.461 -3.881 10.511 707 HE21 GLN 14 HE21 GLN 14 12.384 -6.080 11.045 708 HE22 GLN 14 HE22 GLN 14 13.696 -7.148 10.685 709 H LEU 15 HN LEU 15 13.786 -1.110 7.426 710 HA LEU 15 HA LEU 15 16.133 0.417 7.380 711 HB2 LEU 15 HB2 LEU 15 15.299 -0.834 5.449 712 HB3 LEU 15 HB1 LEU 15 13.918 0.240 5.335 713 HG LEU 15 HG LEU 15 15.499 2.125 4.873 714 HD11 LEU 15 HD11 LEU 15 17.509 -0.115 4.748 715 HD12 LEU 15 HD12 LEU 15 17.514 1.260 5.850 716 HD13 LEU 15 HD13 LEU 15 17.777 1.512 4.126 717 HD21 LEU 15 HD21 LEU 15 15.831 1.557 2.571 718 HD22 LEU 15 HD22 LEU 15 14.302 0.854 3.101 719 HD23 LEU 15 HD23 LEU 15 15.731 -0.166 2.931 720 H CYS 16 HN CYS 16 12.739 1.348 7.433 721 HA CYS 16 HA CYS 16 13.090 4.096 6.975 722 HB2 CYS 16 HB2 CYS 16 10.931 2.724 8.595 723 HB3 CYS 16 HB1 CYS 16 10.853 4.360 7.949 724 HG CYS 16 HG CYS 16 11.111 1.569 5.984 725 H THR 17 HN THR 17 13.132 2.172 9.939 726 HA THR 17 HA THR 17 13.287 4.326 11.754 727 HB THR 17 HB THR 17 14.517 1.611 12.219 728 HG1 THR 17 HG1 THR 17 11.843 2.343 11.843 729 HG21 THR 17 HG21 THR 17 13.046 3.492 14.072 730 HG22 THR 17 HG22 THR 17 14.803 3.373 13.951 731 HG23 THR 17 HG23 THR 17 13.858 1.993 14.519 732 H GLU 18 HN GLU 18 15.759 2.424 10.078 733 HA GLU 18 HA GLU 18 17.990 3.637 11.338 734 HB2 GLU 18 HB2 GLU 18 17.768 2.247 8.665 735 HB3 GLU 18 HB1 GLU 18 19.283 2.685 9.441 736 HG2 GLU 18 HG2 GLU 18 17.301 0.966 10.861 737 HG3 GLU 18 HG1 GLU 18 18.384 0.277 9.656 738 H LEU 19 HN LEU 19 16.087 4.413 8.494 739 HA LEU 19 HA LEU 19 17.856 6.543 7.669 740 HB2 LEU 19 HB2 LEU 19 15.553 5.147 6.580 741 HB3 LEU 19 HB1 LEU 19 15.437 6.878 6.343 742 HG LEU 19 HG LEU 19 17.821 5.235 5.495 743 HD11 LEU 19 HD11 LEU 19 15.508 6.228 3.839 744 HD12 LEU 19 HD12 LEU 19 15.814 4.549 4.277 745 HD13 LEU 19 HD13 LEU 19 16.946 5.407 3.233 746 HD21 LEU 19 HD21 LEU 19 18.262 7.617 5.901 747 HD22 LEU 19 HD22 LEU 19 16.967 8.041 4.781 748 HD23 LEU 19 HD23 LEU 19 18.403 7.200 4.194 749 H GLN 20 HN GLN 20 15.717 6.247 10.122 750 HA GLN 20 HA GLN 20 14.699 7.687 11.553 751 HB2 GLN 20 HB2 GLN 20 16.368 9.712 10.059 752 HB3 GLN 20 HB1 GLN 20 15.449 10.075 11.512 753 HG2 GLN 20 HG2 GLN 20 17.606 7.985 11.375 754 HG3 GLN 20 HG1 GLN 20 17.880 9.654 11.876 755 HE21 GLN 20 HE21 GLN 20 16.535 6.584 12.747 756 HE22 GLN 20 HE22 GLN 20 16.190 6.977 14.396 757 H THR 21 HN THR 21 13.317 6.963 9.172 758 HA THR 21 HA THR 21 11.463 9.216 9.033 759 HB THR 21 HB THR 21 12.932 9.424 7.048 760 HG1 THR 21 HG1 THR 21 11.240 9.986 5.857 761 HG21 THR 21 HG21 THR 21 13.449 7.015 6.796 762 HG22 THR 21 HG22 THR 21 12.909 7.759 5.290 763 HG23 THR 21 HG23 THR 21 11.802 6.748 6.221 764 H THR 22 HN THR 22 9.597 8.253 7.346 765 HA THR 22 HA THR 22 8.850 5.644 8.503 766 HB THR 22 HB THR 22 6.743 7.602 7.674 767 HG1 THR 22 HG1 THR 22 8.394 7.767 9.976 768 HG21 THR 22 HG21 THR 22 5.528 6.534 9.540 769 HG22 THR 22 HG22 THR 22 6.944 5.535 9.872 770 HG23 THR 22 HG23 THR 22 6.076 5.357 8.346 771 H ILE 23 HN ILE 23 7.213 4.471 7.146 772 HA ILE 23 HA ILE 23 8.172 4.048 4.555 773 HB ILE 23 HB ILE 23 5.407 3.305 5.513 774 HG12 ILE 23 HG12 ILE 23 7.993 1.792 5.952 775 HG13 ILE 23 HG11 ILE 23 7.125 2.681 7.197 776 HG21 ILE 23 HG21 ILE 23 5.697 1.386 4.018 777 HG22 ILE 23 HG22 ILE 23 7.282 1.999 3.546 778 HG23 ILE 23 HG23 ILE 23 5.828 2.913 3.146 779 HD11 ILE 23 HD11 ILE 23 6.133 0.270 5.702 780 HD12 ILE 23 HD12 ILE 23 5.204 1.183 6.891 781 HD13 ILE 23 HD13 ILE 23 6.665 0.329 7.382 782 H HIS 24 HN HIS 24 5.928 6.393 5.701 783 HA HIS 24 HA HIS 24 4.666 6.775 3.121 784 HB2 HIS 24 HB2 HIS 24 4.383 8.391 5.658 785 HB3 HIS 24 HB1 HIS 24 3.378 8.539 4.224 786 HD1 HIS 24 HD1 HIS 24 1.690 6.518 3.764 787 HD2 HIS 24 HD2 HIS 24 3.717 6.390 7.393 788 HE1 HIS 24 HE1 HIS 24 0.464 4.844 5.206 789 H ASP 25 HN ASP 25 7.563 7.714 4.454 790 HA ASP 25 HA ASP 25 7.618 10.163 2.803 791 HB2 ASP 25 HB2 ASP 25 7.743 10.698 5.199 792 HB3 ASP 25 HB1 ASP 25 9.142 9.641 5.365 793 H ILE 26 HN ILE 26 9.301 7.271 3.804 794 HA ILE 26 HA ILE 26 11.798 7.733 2.665 795 HB ILE 26 HB ILE 26 11.295 5.864 4.198 796 HG12 ILE 26 HG12 ILE 26 12.482 4.951 1.569 797 HG13 ILE 26 HG11 ILE 26 13.344 5.882 2.791 798 HG21 ILE 26 HG21 ILE 26 10.251 3.845 3.441 799 HG22 ILE 26 HG22 ILE 26 10.079 4.491 1.809 800 HG23 ILE 26 HG23 ILE 26 9.156 5.195 3.137 801 HD11 ILE 26 HD11 ILE 26 13.951 3.568 2.967 802 HD12 ILE 26 HD12 ILE 26 12.257 3.092 3.080 803 HD13 ILE 26 HD13 ILE 26 13.000 4.021 4.383 804 H ILE 27 HN ILE 27 12.637 7.589 0.682 805 HA ILE 27 HA ILE 27 10.870 6.730 -1.511 806 HB ILE 27 HB ILE 27 12.858 9.009 -1.495 807 HG12 ILE 27 HG12 ILE 27 10.639 9.518 -0.532 808 HG13 ILE 27 HG11 ILE 27 10.940 10.413 -2.016 809 HG21 ILE 27 HG21 ILE 27 12.237 9.365 -3.860 810 HG22 ILE 27 HG22 ILE 27 11.335 7.849 -3.824 811 HG23 ILE 27 HG23 ILE 27 13.084 7.839 -3.595 812 HD11 ILE 27 HD11 ILE 27 9.581 8.727 -3.234 813 HD12 ILE 27 HD12 ILE 27 8.682 9.650 -2.027 814 HD13 ILE 27 HD13 ILE 27 9.186 7.996 -1.679 815 H LEU 28 HN LEU 28 11.617 4.921 -2.371 816 HA LEU 28 HA LEU 28 14.529 4.494 -2.450 817 HB2 LEU 28 HB2 LEU 28 12.405 2.839 -1.485 818 HB3 LEU 28 HB1 LEU 28 13.144 2.051 -2.866 819 HG LEU 28 HG LEU 28 15.339 2.170 -1.771 820 HD11 LEU 28 HD11 LEU 28 15.503 2.855 0.573 821 HD12 LEU 28 HD12 LEU 28 13.817 3.370 0.537 822 HD13 LEU 28 HD13 LEU 28 15.012 4.194 -0.464 823 HD21 LEU 28 HD21 LEU 28 14.071 0.172 -1.431 824 HD22 LEU 28 HD22 LEU 28 13.130 0.926 -0.142 825 HD23 LEU 28 HD23 LEU 28 14.848 0.598 0.094 826 H GLU 29 HN GLU 29 15.345 3.340 -4.311 827 HA GLU 29 HA GLU 29 13.701 3.798 -6.711 828 HB2 GLU 29 HB2 GLU 29 16.717 3.831 -6.484 829 HB3 GLU 29 HB1 GLU 29 15.786 4.149 -7.941 830 HG2 GLU 29 HG2 GLU 29 14.867 6.151 -6.961 831 HG3 GLU 29 HG1 GLU 29 15.689 5.817 -5.440 832 H CYS 30 HN CYS 30 14.089 2.308 -8.503 833 HA CYS 30 HA CYS 30 14.140 -0.399 -7.645 834 HB2 CYS 30 HB2 CYS 30 12.845 0.318 -9.610 835 HB3 CYS 30 HB1 CYS 30 14.334 0.752 -10.444 836 H VAL 31 HN VAL 31 15.750 -1.890 -7.705 837 HA VAL 31 HA VAL 31 18.427 -0.979 -7.660 838 HB VAL 31 HB VAL 31 17.662 -2.904 -6.346 839 HG11 VAL 31 HG11 VAL 31 17.399 -4.273 -9.014 840 HG12 VAL 31 HG12 VAL 31 16.117 -3.937 -7.850 841 HG13 VAL 31 HG13 VAL 31 17.380 -5.106 -7.460 842 HG21 VAL 31 HG21 VAL 31 19.838 -3.643 -8.299 843 HG22 VAL 31 HG22 VAL 31 19.577 -4.364 -6.711 844 HG23 VAL 31 HG23 VAL 31 20.046 -2.670 -6.844 845 H TYR 32 HN TYR 32 16.411 -2.164 -10.215 846 HA TYR 32 HA TYR 32 18.748 -2.530 -11.954 847 HB2 TYR 32 HB2 TYR 32 15.871 -3.392 -12.219 848 HB3 TYR 32 HB1 TYR 32 17.007 -3.479 -13.561 849 HD1 TYR 32 HD2 TYR 32 19.193 -4.802 -13.130 850 HD2 TYR 32 HD1 TYR 32 15.706 -5.175 -10.721 851 HE1 TYR 32 HE2 TYR 32 19.999 -6.971 -12.314 852 HE2 TYR 32 HE1 TYR 32 16.508 -7.351 -9.895 853 HH TYR 32 HH TYR 32 18.019 -9.006 -10.226 854 H CYS 33 HN CYS 33 15.457 -1.246 -12.392 855 HA CYS 33 HA CYS 33 16.172 0.392 -14.581 856 HB2 CYS 33 HB2 CYS 33 13.764 0.994 -12.935 857 HB3 CYS 33 HB1 CYS 33 13.932 0.899 -14.687 858 H LYS 34 HN LYS 34 16.447 0.843 -11.206 859 HA LYS 34 HA LYS 34 17.044 2.575 -9.879 860 HB2 LYS 34 HB2 LYS 34 18.254 3.525 -12.480 861 HB3 LYS 34 HB1 LYS 34 18.577 4.264 -10.915 862 HG2 LYS 34 HG2 LYS 34 19.580 2.253 -10.095 863 HG3 LYS 34 HG1 LYS 34 19.099 1.367 -11.542 864 HD2 LYS 34 HD2 LYS 34 20.565 2.775 -12.896 865 HD3 LYS 34 HD1 LYS 34 21.028 3.684 -11.456 866 HE2 LYS 34 HE2 LYS 34 22.753 2.089 -11.925 867 HE3 LYS 34 HE1 LYS 34 21.896 1.574 -10.472 868 HZ1 LYS 34 HZ1 LYS 34 21.486 0.492 -13.206 869 HZ2 LYS 34 HZ2 LYS 34 20.644 0.002 -11.828 870 HZ3 LYS 34 HZ3 LYS 34 22.305 -0.286 -11.948 871 H GLN 35 HN GLN 35 14.459 2.637 -10.909 872 HA GLN 35 HA GLN 35 13.890 5.457 -11.434 873 HB2 GLN 35 HB2 GLN 35 12.072 3.036 -11.446 874 HB3 GLN 35 HB1 GLN 35 11.583 4.672 -11.858 875 HG2 GLN 35 HG2 GLN 35 13.614 3.024 -13.349 876 HG3 GLN 35 HG1 GLN 35 11.941 3.291 -13.837 877 HE21 GLN 35 HE21 GLN 35 15.125 4.554 -13.764 878 HE22 GLN 35 HE22 GLN 35 14.795 6.024 -14.615 879 H GLN 36 HN GLN 36 12.801 6.732 -9.981 880 HA GLN 36 HA GLN 36 12.835 5.928 -7.249 881 HB2 GLN 36 HB2 GLN 36 11.468 8.336 -8.467 882 HB3 GLN 36 HB1 GLN 36 11.872 8.111 -6.774 883 HG2 GLN 36 HG2 GLN 36 14.290 7.985 -7.509 884 HG3 GLN 36 HG1 GLN 36 13.736 8.558 -9.079 885 HE21 GLN 36 HE21 GLN 36 12.419 9.541 -5.979 886 HE22 GLN 36 HE22 GLN 36 12.954 11.181 -6.059 887 H LEU 37 HN LEU 37 11.439 4.537 -6.434 888 HA LEU 37 HA LEU 37 8.894 4.026 -7.633 889 HB2 LEU 37 HB2 LEU 37 10.479 2.924 -5.402 890 HB3 LEU 37 HB1 LEU 37 8.740 2.806 -5.210 891 HG LEU 37 HG LEU 37 8.756 1.737 -7.559 892 HD11 LEU 37 HD11 LEU 37 11.081 2.360 -8.086 893 HD12 LEU 37 HD12 LEU 37 10.797 0.624 -8.198 894 HD13 LEU 37 HD13 LEU 37 11.638 1.291 -6.799 895 HD21 LEU 37 HD21 LEU 37 8.210 0.495 -5.570 896 HD22 LEU 37 HD22 LEU 37 9.916 0.336 -5.157 897 HD23 LEU 37 HD23 LEU 37 9.277 -0.475 -6.585 898 H LEU 38 HN LEU 38 6.985 4.894 -7.176 899 HA LEU 38 HA LEU 38 6.777 7.160 -5.505 900 HB2 LEU 38 HB2 LEU 38 5.346 6.477 -7.548 901 HB3 LEU 38 HB1 LEU 38 4.430 5.514 -6.405 902 HG LEU 38 HG LEU 38 4.112 7.682 -5.081 903 HD11 LEU 38 HD11 LEU 38 5.855 8.973 -6.214 904 HD12 LEU 38 HD12 LEU 38 4.277 9.746 -6.358 905 HD13 LEU 38 HD13 LEU 38 4.954 8.862 -7.724 906 HD21 LEU 38 HD21 LEU 38 2.214 8.347 -6.461 907 HD22 LEU 38 HD22 LEU 38 2.335 6.590 -6.352 908 HD23 LEU 38 HD23 LEU 38 2.865 7.422 -7.814 909 H ARG 39 HN ARG 39 5.661 7.416 -3.543 910 HA ARG 39 HA ARG 39 6.181 5.636 -1.534 911 HB2 ARG 39 HB2 ARG 39 4.281 6.826 -0.284 912 HB3 ARG 39 HB1 ARG 39 5.626 7.803 -0.856 913 HG2 ARG 39 HG2 ARG 39 4.344 8.647 -2.672 914 HG3 ARG 39 HG1 ARG 39 3.042 7.497 -2.364 915 HD2 ARG 39 HD2 ARG 39 3.907 9.572 -0.367 916 HD3 ARG 39 HD1 ARG 39 2.657 9.867 -1.573 917 HE ARG 39 HE ARG 39 2.434 7.682 0.403 918 HH11 ARG 39 HH11 ARG 39 1.111 10.509 -1.193 919 HH12 ARG 39 HH12 ARG 39 -0.458 10.332 -0.481 920 HH21 ARG 39 HH21 ARG 39 0.376 7.453 1.351 921 HH22 ARG 39 HH22 ARG 39 -0.875 8.593 0.975 922 H ARG 40 HN ARG 40 3.254 5.786 -3.509 923 HA ARG 40 HA ARG 40 1.704 3.970 -2.046 924 HB2 ARG 40 HB2 ARG 40 0.926 5.489 -3.908 925 HB3 ARG 40 HB1 ARG 40 1.615 4.333 -5.038 926 HG2 ARG 40 HG2 ARG 40 0.137 2.588 -4.012 927 HG3 ARG 40 HG1 ARG 40 -0.653 3.890 -3.117 928 HD2 ARG 40 HD2 ARG 40 -1.885 3.337 -5.149 929 HD3 ARG 40 HD1 ARG 40 -1.249 4.981 -5.214 930 HE ARG 40 HE ARG 40 0.621 3.279 -6.422 931 HH11 ARG 40 HH11 ARG 40 -2.624 4.478 -6.984 932 HH12 ARG 40 HH12 ARG 40 -2.516 4.333 -8.707 933 HH21 ARG 40 HH21 ARG 40 0.795 3.119 -8.662 934 HH22 ARG 40 HH22 ARG 40 -0.554 3.553 -9.672 935 H GLU 41 HN GLU 41 3.988 3.442 -4.699 936 HA GLU 41 HA GLU 41 3.499 0.661 -4.955 937 HB2 GLU 41 HB2 GLU 41 6.085 2.046 -5.663 938 HB3 GLU 41 HB1 GLU 41 5.396 0.604 -6.393 939 HG2 GLU 41 HG2 GLU 41 4.456 3.444 -6.681 940 HG3 GLU 41 HG1 GLU 41 5.112 2.386 -7.929 941 H VAL 42 HN VAL 42 5.583 2.596 -2.949 942 HA VAL 42 HA VAL 42 7.327 0.579 -2.045 943 HB VAL 42 HB VAL 42 6.444 3.106 -0.635 944 HG11 VAL 42 HG11 VAL 42 8.592 2.874 0.602 945 HG12 VAL 42 HG12 VAL 42 8.764 1.261 -0.090 946 HG13 VAL 42 HG13 VAL 42 7.411 1.621 0.981 947 HG21 VAL 42 HG21 VAL 42 8.566 4.026 -1.491 948 HG22 VAL 42 HG22 VAL 42 7.452 3.575 -2.783 949 HG23 VAL 42 HG23 VAL 42 8.821 2.535 -2.395 950 H TYR 43 HN TYR 43 4.107 1.549 -1.019 951 HA TYR 43 HA TYR 43 4.053 0.169 1.439 952 HB2 TYR 43 HB2 TYR 43 1.712 0.761 -0.378 953 HB3 TYR 43 HB1 TYR 43 1.635 0.395 1.340 954 HD1 TYR 43 HD1 TYR 43 3.903 2.096 2.313 955 HD2 TYR 43 HD2 TYR 43 0.792 2.915 -0.474 956 HE1 TYR 43 HE1 TYR 43 4.098 4.494 2.807 957 HE2 TYR 43 HE2 TYR 43 0.983 5.317 0.015 958 HH TYR 43 HH TYR 43 3.599 6.611 1.849 959 H ASP 44 HN ASP 44 3.682 -0.902 -1.849 960 HA ASP 44 HA ASP 44 2.361 -3.352 -1.306 961 HB2 ASP 44 HB2 ASP 44 3.863 -2.223 -3.615 962 HB3 ASP 44 HB1 ASP 44 3.632 -3.970 -3.565 963 H PHE 45 HN PHE 45 5.642 -2.297 -1.086 964 HA PHE 45 HA PHE 45 6.881 -4.853 -1.032 965 HB2 PHE 45 HB2 PHE 45 7.759 -2.197 -1.024 966 HB3 PHE 45 HB1 PHE 45 8.306 -2.854 0.514 967 HD1 PHE 45 HD1 PHE 45 8.450 -3.272 -3.141 968 HD2 PHE 45 HD2 PHE 45 10.081 -4.423 0.622 969 HE1 PHE 45 HE1 PHE 45 10.320 -4.377 -4.295 970 HE2 PHE 45 HE2 PHE 45 11.957 -5.529 -0.528 971 HZ PHE 45 HZ PHE 45 12.075 -5.512 -2.990 972 H ALA 46 HN ALA 46 5.341 -2.826 1.337 973 HA ALA 46 HA ALA 46 6.197 -4.478 3.560 974 HB1 ALA 46 HB1 ALA 46 6.038 -2.120 3.971 975 HB2 ALA 46 HB2 ALA 46 4.797 -2.944 4.914 976 HB3 ALA 46 HB3 ALA 46 4.361 -2.089 3.432 977 H PHE 47 HN PHE 47 3.385 -3.971 1.535 978 HA PHE 47 HA PHE 47 1.478 -5.405 3.005 979 HB2 PHE 47 HB2 PHE 47 1.542 -4.043 0.586 980 HB3 PHE 47 HB1 PHE 47 1.194 -5.705 0.118 981 HD1 PHE 47 HD1 PHE 47 0.007 -2.785 1.978 982 HD2 PHE 47 HD2 PHE 47 -0.890 -6.747 0.711 983 HE1 PHE 47 HE1 PHE 47 -2.347 -2.448 2.609 984 HE2 PHE 47 HE2 PHE 47 -3.247 -6.419 1.340 985 HZ PHE 47 HZ PHE 47 -3.978 -4.267 2.292 986 H ARG 48 HN ARG 48 3.658 -6.460 0.406 987 HA ARG 48 HA ARG 48 2.983 -9.258 0.981 988 HB2 ARG 48 HB2 ARG 48 4.646 -8.067 -1.253 989 HB3 ARG 48 HB1 ARG 48 4.274 -9.773 -1.064 990 HG2 ARG 48 HG2 ARG 48 1.900 -9.291 -1.358 991 HG3 ARG 48 HG1 ARG 48 2.278 -7.579 -1.561 992 HD2 ARG 48 HD2 ARG 48 3.693 -8.163 -3.507 993 HD3 ARG 48 HD1 ARG 48 3.197 -9.845 -3.328 994 HE ARG 48 HE ARG 48 1.149 -9.330 -4.236 995 HH11 ARG 48 HH11 ARG 48 2.890 -6.372 -3.545 996 HH12 ARG 48 HH12 ARG 48 1.783 -5.355 -4.418 997 HH21 ARG 48 HH21 ARG 48 -0.296 -8.005 -5.409 998 HH22 ARG 48 HH22 ARG 48 -0.002 -6.296 -5.509 999 H ASP 49 HN ASP 49 4.747 -10.808 1.316 1000 HA ASP 49 HA ASP 49 6.834 -9.603 2.920 1001 HB2 ASP 49 HB2 ASP 49 5.711 -11.651 3.731 1002 HB3 ASP 49 HB1 ASP 49 6.360 -12.532 2.348 1003 H LEU 50 HN LEU 50 8.293 -8.634 1.657 1004 HA LEU 50 HA LEU 50 9.730 -10.338 -0.264 1005 HB2 LEU 50 HB2 LEU 50 9.068 -7.403 -0.513 1006 HB3 LEU 50 HB1 LEU 50 10.147 -8.267 -1.589 1007 HG LEU 50 HG LEU 50 7.299 -9.148 -1.234 1008 HD11 LEU 50 HD11 LEU 50 8.336 -7.025 -3.102 1009 HD12 LEU 50 HD12 LEU 50 7.130 -6.831 -1.831 1010 HD13 LEU 50 HD13 LEU 50 6.764 -7.811 -3.250 1011 HD21 LEU 50 HD21 LEU 50 7.626 -10.088 -3.451 1012 HD22 LEU 50 HD22 LEU 50 8.870 -10.673 -2.344 1013 HD23 LEU 50 HD23 LEU 50 9.254 -9.410 -3.516 1014 H CYS 51 HN CYS 51 11.959 -9.396 -0.729 1015 HA CYS 51 HA CYS 51 13.115 -8.417 1.797 1016 HB2 CYS 51 HB2 CYS 51 14.355 -10.161 -0.342 1017 HB3 CYS 51 HB1 CYS 51 15.205 -9.556 1.076 1018 HG CYS 51 HG CYS 51 12.582 -11.754 1.083 1019 H ILE 52 HN ILE 52 14.681 -6.792 1.704 1020 HA ILE 52 HA ILE 52 14.489 -5.078 -0.613 1021 HB ILE 52 HB ILE 52 15.800 -4.752 2.080 1022 HG12 ILE 52 HG12 ILE 52 13.515 -3.328 0.700 1023 HG13 ILE 52 HG11 ILE 52 13.367 -4.518 1.990 1024 HG21 ILE 52 HG21 ILE 52 15.891 -2.818 -0.236 1025 HG22 ILE 52 HG22 ILE 52 17.261 -3.635 0.515 1026 HG23 ILE 52 HG23 ILE 52 16.348 -2.433 1.424 1027 HD11 ILE 52 HD11 ILE 52 13.107 -2.148 2.704 1028 HD12 ILE 52 HD12 ILE 52 14.804 -1.898 2.297 1029 HD13 ILE 52 HD13 ILE 52 14.360 -3.041 3.564 1030 H VAL 53 HN VAL 53 16.006 -4.703 -2.097 1031 HA VAL 53 HA VAL 53 18.399 -6.388 -2.047 1032 HB VAL 53 HB VAL 53 18.578 -5.542 -4.491 1033 HG11 VAL 53 HG11 VAL 53 17.005 -7.269 -5.261 1034 HG12 VAL 53 HG12 VAL 53 16.309 -7.344 -3.641 1035 HG13 VAL 53 HG13 VAL 53 17.987 -7.825 -3.903 1036 HG21 VAL 53 HG21 VAL 53 15.678 -4.900 -3.938 1037 HG22 VAL 53 HG22 VAL 53 16.471 -4.863 -5.514 1038 HG23 VAL 53 HG23 VAL 53 16.947 -3.718 -4.259 1039 H TYR 54 HN TYR 54 20.428 -5.559 -2.023 1040 HA TYR 54 HA TYR 54 20.624 -2.636 -1.775 1041 HB2 TYR 54 HB2 TYR 54 22.040 -4.875 -0.394 1042 HB3 TYR 54 HB1 TYR 54 22.883 -3.346 -0.615 1043 HD1 TYR 54 HD2 TYR 54 19.834 -4.871 0.852 1044 HD2 TYR 54 HD1 TYR 54 22.428 -1.500 0.768 1045 HE1 TYR 54 HE2 TYR 54 18.688 -3.945 2.823 1046 HE2 TYR 54 HE1 TYR 54 21.289 -0.565 2.733 1047 HH TYR 54 HH TYR 54 18.761 -2.368 4.427 1048 H ARG 55 HN ARG 55 21.489 -1.663 -3.455 1049 HA ARG 55 HA ARG 55 23.182 -3.154 -5.295 1050 HB2 ARG 55 HB2 ARG 55 21.332 -1.179 -5.704 1051 HB3 ARG 55 HB1 ARG 55 22.824 -0.250 -5.710 1052 HG2 ARG 55 HG2 ARG 55 22.324 -2.655 -7.452 1053 HG3 ARG 55 HG1 ARG 55 22.066 -0.984 -7.958 1054 HD2 ARG 55 HD2 ARG 55 24.687 -2.148 -7.027 1055 HD3 ARG 55 HD1 ARG 55 24.235 -1.868 -8.708 1056 HE ARG 55 HE ARG 55 23.928 0.566 -7.515 1057 HH11 ARG 55 HH11 ARG 55 26.573 -1.720 -7.790 1058 HH12 ARG 55 HH12 ARG 55 27.799 -0.499 -7.714 1059 HH21 ARG 55 HH21 ARG 55 25.540 2.169 -7.395 1060 HH22 ARG 55 HH22 ARG 55 27.215 1.717 -7.498 1061 H ASP 56 HN ASP 56 25.164 -3.432 -4.550 1062 HA ASP 56 HA ASP 56 27.290 -3.015 -3.896 1063 HB2 ASP 56 HB2 ASP 56 27.227 -1.115 -5.493 1064 HB3 ASP 56 HB1 ASP 56 26.613 -0.081 -4.205 1065 H GLY 57 HN GLY 57 25.780 -0.120 -2.521 1066 HA2 GLY 57 HA2 GLY 57 25.765 -1.312 0.137 1067 HA3 GLY 57 HA1 GLY 57 26.867 0.039 -0.098 1068 H ASN 58 HN ASN 58 23.952 0.004 -1.914 1069 HA ASN 58 HA ASN 58 22.789 2.013 -0.094 1070 HB2 ASN 58 HB2 ASN 58 23.280 2.086 -3.011 1071 HB3 ASN 58 HB1 ASN 58 21.704 2.674 -2.493 1072 HD21 ASN 58 HD21 ASN 58 23.966 4.100 -3.660 1073 HD22 ASN 58 HD22 ASN 58 24.370 5.352 -2.538 1074 HA PRO 59 HA PRO 59 19.275 -0.694 -0.043 1075 HB2 PRO 59 HB2 PRO 59 17.449 1.057 0.971 1076 HB3 PRO 59 HB1 PRO 59 18.716 0.309 1.961 1077 HG2 PRO 59 HG2 PRO 59 18.604 3.039 0.793 1078 HG3 PRO 59 HG1 PRO 59 19.206 2.504 2.374 1079 HD2 PRO 59 HD2 PRO 59 20.839 3.078 0.274 1080 HD3 PRO 59 HD1 PRO 59 21.253 1.918 1.550 1081 H TYR 60 HN TYR 60 18.250 -1.264 -1.859 1082 HA TYR 60 HA TYR 60 16.826 0.827 -3.357 1083 HB2 TYR 60 HB2 TYR 60 18.628 -1.352 -4.327 1084 HB3 TYR 60 HB1 TYR 60 17.271 -0.865 -5.339 1085 HD1 TYR 60 HD2 TYR 60 20.349 0.381 -3.685 1086 HD2 TYR 60 HD1 TYR 60 17.371 1.100 -6.634 1087 HE1 TYR 60 HE2 TYR 60 21.678 2.250 -4.567 1088 HE2 TYR 60 HE1 TYR 60 18.695 2.969 -7.525 1089 HH TYR 60 HH TYR 60 20.434 4.494 -6.828 1090 H ALA 61 HN ALA 61 15.062 -0.064 -4.714 1091 HA ALA 61 HA ALA 61 13.740 -2.304 -3.333 1092 HB1 ALA 61 HB1 ALA 61 11.603 -1.227 -3.858 1093 HB2 ALA 61 HB2 ALA 61 12.466 0.114 -4.612 1094 HB3 ALA 61 HB3 ALA 61 12.628 -0.176 -2.880 1095 H VAL 62 HN VAL 62 11.731 -2.876 -4.950 1096 HA VAL 62 HA VAL 62 12.945 -3.412 -7.577 1097 HB VAL 62 HB VAL 62 11.029 -5.284 -6.182 1098 HG11 VAL 62 HG11 VAL 62 11.914 -6.917 -7.783 1099 HG12 VAL 62 HG12 VAL 62 12.928 -5.658 -8.488 1100 HG13 VAL 62 HG13 VAL 62 11.171 -5.533 -8.585 1101 HG21 VAL 62 HG21 VAL 62 13.077 -5.053 -4.822 1102 HG22 VAL 62 HG22 VAL 62 14.037 -5.517 -6.225 1103 HG23 VAL 62 HG23 VAL 62 12.900 -6.664 -5.516 1104 H CYS 63 HN CYS 63 11.783 -2.526 -9.190 1105 HA CYS 63 HA CYS 63 9.269 -1.297 -8.688 1106 HB2 CYS 63 HB2 CYS 63 9.283 -0.703 -11.055 1107 HB3 CYS 63 HB1 CYS 63 10.857 -0.397 -10.336 1108 H ASP 64 HN ASP 64 7.406 -1.682 -10.261 1109 HA ASP 64 HA ASP 64 6.251 -4.163 -9.728 1110 HB2 ASP 64 HB2 ASP 64 4.939 -2.163 -10.213 1111 HB3 ASP 64 HB1 ASP 64 5.550 -2.139 -11.863 1112 H LYS 65 HN LYS 65 8.254 -3.127 -12.366 1113 HA LYS 65 HA LYS 65 7.577 -5.307 -14.117 1114 HB2 LYS 65 HB2 LYS 65 9.947 -3.443 -14.250 1115 HB3 LYS 65 HB1 LYS 65 9.336 -4.454 -15.550 1116 HG2 LYS 65 HG2 LYS 65 8.048 -2.788 -16.215 1117 HG3 LYS 65 HG1 LYS 65 7.188 -2.851 -14.677 1118 HD2 LYS 65 HD2 LYS 65 7.939 -0.630 -14.852 1119 HD3 LYS 65 HD1 LYS 65 9.080 -1.404 -13.751 1120 HE2 LYS 65 HE2 LYS 65 9.604 -1.188 -16.703 1121 HE3 LYS 65 HE1 LYS 65 10.044 0.098 -15.581 1122 HZ1 LYS 65 HZ1 LYS 65 11.017 -2.708 -15.524 1123 HZ2 LYS 65 HZ2 LYS 65 11.384 -1.543 -14.355 1124 HZ3 LYS 65 HZ3 LYS 65 11.914 -1.338 -15.945 1125 H CYS 66 HN CYS 66 10.460 -4.431 -12.215 1126 HA CYS 66 HA CYS 66 11.838 -6.842 -12.779 1127 HB2 CYS 66 HB2 CYS 66 12.260 -4.909 -10.493 1128 HB3 CYS 66 HB1 CYS 66 13.409 -6.119 -11.055 1129 H LEU 67 HN LEU 67 9.443 -5.974 -10.461 1130 HA LEU 67 HA LEU 67 9.857 -7.783 -8.412 1131 HB2 LEU 67 HB2 LEU 67 8.097 -5.936 -8.654 1132 HB3 LEU 67 HB1 LEU 67 7.135 -7.123 -9.507 1133 HG LEU 67 HG LEU 67 7.085 -8.544 -7.516 1134 HD11 LEU 67 HD11 LEU 67 7.883 -7.471 -5.356 1135 HD12 LEU 67 HD12 LEU 67 8.834 -6.390 -6.374 1136 HD13 LEU 67 HD13 LEU 67 9.118 -8.130 -6.425 1137 HD21 LEU 67 HD21 LEU 67 5.341 -6.846 -7.857 1138 HD22 LEU 67 HD22 LEU 67 6.292 -5.697 -6.912 1139 HD23 LEU 67 HD23 LEU 67 5.650 -7.153 -6.148 1140 H LYS 68 HN LYS 68 7.876 -8.255 -11.333 1141 HA LYS 68 HA LYS 68 7.504 -11.054 -10.748 1142 HB2 LYS 68 HB2 LYS 68 6.372 -11.058 -13.010 1143 HB3 LYS 68 HB1 LYS 68 5.672 -10.004 -11.794 1144 HG2 LYS 68 HG2 LYS 68 7.039 -8.139 -12.841 1145 HG3 LYS 68 HG1 LYS 68 7.307 -9.247 -14.186 1146 HD2 LYS 68 HD2 LYS 68 4.905 -9.465 -14.515 1147 HD3 LYS 68 HD1 LYS 68 4.607 -8.404 -13.138 1148 HE2 LYS 68 HE2 LYS 68 4.412 -6.916 -14.875 1149 HE3 LYS 68 HE1 LYS 68 6.121 -6.742 -14.478 1150 HZ1 LYS 68 HZ1 LYS 68 5.770 -6.945 -16.862 1151 HZ2 LYS 68 HZ2 LYS 68 5.021 -8.444 -16.653 1152 HZ3 LYS 68 HZ3 LYS 68 6.657 -8.261 -16.278 1153 H PHE 69 HN PHE 69 9.894 -9.224 -12.257 1154 HA PHE 69 HA PHE 69 10.742 -11.211 -14.149 1155 HB2 PHE 69 HB2 PHE 69 11.246 -8.499 -13.778 1156 HB3 PHE 69 HB1 PHE 69 12.782 -9.274 -13.414 1157 HD1 PHE 69 HD1 PHE 69 10.272 -8.641 -15.995 1158 HD2 PHE 69 HD2 PHE 69 14.039 -10.416 -15.114 1159 HE1 PHE 69 HE1 PHE 69 10.730 -8.848 -18.402 1160 HE2 PHE 69 HE2 PHE 69 14.503 -10.628 -17.518 1161 HZ PHE 69 HZ PHE 69 12.850 -9.847 -19.169 1162 H TYR 70 HN TYR 70 11.873 -10.074 -10.978 1163 HA TYR 70 HA TYR 70 13.561 -12.487 -10.804 1164 HB2 TYR 70 HB2 TYR 70 14.051 -9.666 -10.076 1165 HB3 TYR 70 HB1 TYR 70 14.636 -10.867 -8.929 1166 HD1 TYR 70 HD1 TYR 70 14.913 -9.632 -12.382 1167 HD2 TYR 70 HD2 TYR 70 16.494 -12.286 -9.456 1168 HE1 TYR 70 HE1 TYR 70 16.878 -10.026 -13.808 1169 HE2 TYR 70 HE2 TYR 70 18.461 -12.681 -10.874 1170 HH TYR 70 HH TYR 70 19.112 -12.549 -13.191 Start of MODEL 6 1 H MET 1 HT1 MET 1 -22.686 -2.266 -4.517 2 HA MET 1 HA MET 1 -24.760 -2.239 -3.368 3 HB2 MET 1 HB2 MET 1 -26.467 -3.814 -3.694 4 HB3 MET 1 HB1 MET 1 -25.923 -3.462 -5.328 5 HG2 MET 1 HG2 MET 1 -24.693 -5.503 -5.437 6 HG3 MET 1 HG1 MET 1 -24.976 -5.823 -3.728 7 HE1 MET 1 HE1 MET 1 -27.085 -8.651 -5.286 8 HE2 MET 1 HE2 MET 1 -25.902 -8.212 -4.053 9 HE3 MET 1 HE3 MET 1 -25.492 -8.067 -5.762 10 H PHE 2 HN PHE 2 -24.993 -3.345 -1.349 11 HA PHE 2 HA PHE 2 -23.345 -5.677 -0.865 12 HB2 PHE 2 HB2 PHE 2 -22.254 -3.151 -0.421 13 HB3 PHE 2 HB1 PHE 2 -22.743 -3.706 1.174 14 HD1 PHE 2 HD1 PHE 2 -21.148 -5.203 -1.852 15 HD2 PHE 2 HD2 PHE 2 -21.076 -4.734 2.373 16 HE1 PHE 2 HE1 PHE 2 -19.125 -6.598 -1.735 17 HE2 PHE 2 HE2 PHE 2 -19.054 -6.125 2.499 18 HZ PHE 2 HZ PHE 2 -18.077 -7.061 0.444 19 H GLN 3 HN GLN 3 -24.914 -6.882 -0.090 20 HA GLN 3 HA GLN 3 -26.341 -5.955 2.307 21 HB2 GLN 3 HB2 GLN 3 -28.160 -7.645 1.168 22 HB3 GLN 3 HB1 GLN 3 -28.212 -5.894 1.037 23 HG2 GLN 3 HG2 GLN 3 -28.553 -6.897 -1.127 24 HG3 GLN 3 HG1 GLN 3 -27.021 -6.030 -1.105 25 HE21 GLN 3 HE21 GLN 3 -28.545 -9.158 -1.222 26 HE22 GLN 3 HE22 GLN 3 -27.137 -10.041 -1.700 27 H ASP 4 HN ASP 4 -27.756 -8.331 2.772 28 HA ASP 4 HA ASP 4 -25.874 -9.914 4.109 29 HB2 ASP 4 HB2 ASP 4 -28.401 -9.762 4.482 30 HB3 ASP 4 HB1 ASP 4 -28.571 -10.882 3.139 31 HA PRO 5 HA PRO 5 -25.523 -12.160 4.716 32 HB2 PRO 5 HB2 PRO 5 -23.255 -13.612 4.648 33 HB3 PRO 5 HB1 PRO 5 -24.823 -14.299 4.190 34 HG2 PRO 5 HG2 PRO 5 -22.617 -13.335 2.450 35 HG3 PRO 5 HG1 PRO 5 -23.662 -14.757 2.270 36 HD2 PRO 5 HD2 PRO 5 -24.039 -12.401 0.916 37 HD3 PRO 5 HD1 PRO 5 -25.328 -13.565 1.270 38 H GLN 6 HN GLN 6 -23.524 -10.379 2.619 39 HA GLN 6 HA GLN 6 -21.320 -9.830 4.262 40 HB2 GLN 6 HB2 GLN 6 -22.659 -8.184 2.111 41 HB3 GLN 6 HB1 GLN 6 -21.186 -7.673 2.921 42 HG2 GLN 6 HG2 GLN 6 -20.387 -8.656 0.998 43 HG3 GLN 6 HG1 GLN 6 -20.249 -9.956 2.177 44 HE21 GLN 6 HE21 GLN 6 -23.296 -8.954 0.759 45 HE22 GLN 6 HE22 GLN 6 -23.539 -10.382 -0.183 46 H GLU 7 HN GLU 7 -21.034 -8.557 5.990 47 HA GLU 7 HA GLU 7 -23.422 -7.317 7.126 48 HB2 GLU 7 HB2 GLU 7 -21.920 -8.880 8.436 49 HB3 GLU 7 HB1 GLU 7 -20.718 -7.594 8.428 50 HG2 GLU 7 HG2 GLU 7 -21.976 -7.604 10.503 51 HG3 GLU 7 HG1 GLU 7 -22.267 -6.123 9.592 52 H ARG 8 HN ARG 8 -20.643 -6.440 5.404 53 HA ARG 8 HA ARG 8 -19.864 -4.430 4.677 54 HB2 ARG 8 HB2 ARG 8 -22.212 -3.195 6.132 55 HB3 ARG 8 HB1 ARG 8 -21.208 -2.412 4.922 56 HG2 ARG 8 HG2 ARG 8 -22.342 -3.314 3.228 57 HG3 ARG 8 HG1 ARG 8 -22.428 -4.897 4.002 58 HD2 ARG 8 HD2 ARG 8 -24.142 -2.534 4.748 59 HD3 ARG 8 HD1 ARG 8 -24.642 -3.826 3.657 60 HE ARG 8 HE ARG 8 -23.800 -4.493 6.393 61 HH11 ARG 8 HH11 ARG 8 -26.322 -4.268 3.980 62 HH12 ARG 8 HH12 ARG 8 -27.426 -5.280 4.853 63 HH21 ARG 8 HH21 ARG 8 -25.257 -5.832 7.556 64 HH22 ARG 8 HH22 ARG 8 -26.819 -6.174 6.875 65 HA PRO 9 HA PRO 9 -17.940 -3.812 8.819 66 HB2 PRO 9 HB2 PRO 9 -15.401 -4.325 8.046 67 HB3 PRO 9 HB1 PRO 9 -16.544 -5.622 8.446 68 HG2 PRO 9 HG2 PRO 9 -15.680 -4.629 5.784 69 HG3 PRO 9 HG1 PRO 9 -15.978 -6.290 6.329 70 HD2 PRO 9 HD2 PRO 9 -17.767 -4.823 4.861 71 HD3 PRO 9 HD1 PRO 9 -18.219 -6.154 5.946 72 H ARG 10 HN ARG 10 -16.343 -2.212 9.487 73 HA ARG 10 HA ARG 10 -16.319 0.055 7.638 74 HB2 ARG 10 HB2 ARG 10 -16.186 -0.240 10.592 75 HB3 ARG 10 HB1 ARG 10 -15.338 1.127 9.886 76 HG2 ARG 10 HG2 ARG 10 -17.587 1.746 10.584 77 HG3 ARG 10 HG1 ARG 10 -17.403 1.889 8.834 78 HD2 ARG 10 HD2 ARG 10 -18.575 -0.182 8.492 79 HD3 ARG 10 HD1 ARG 10 -18.622 -0.498 10.226 80 HE ARG 10 HE ARG 10 -19.883 1.922 9.879 81 HH11 ARG 10 HH11 ARG 10 -20.356 -1.335 8.669 82 HH12 ARG 10 HH12 ARG 10 -22.079 -1.183 8.578 83 HH21 ARG 10 HH21 ARG 10 -22.140 2.132 9.726 84 HH22 ARG 10 HH22 ARG 10 -23.099 0.798 9.168 85 H LYS 11 HN LYS 11 -14.345 -2.444 8.466 86 HA LYS 11 HA LYS 11 -11.894 -0.886 8.048 87 HB2 LYS 11 HB2 LYS 11 -12.399 -3.556 9.336 88 HB3 LYS 11 HB1 LYS 11 -10.797 -3.125 8.753 89 HG2 LYS 11 HG2 LYS 11 -12.396 -1.803 10.926 90 HG3 LYS 11 HG1 LYS 11 -10.833 -2.617 11.050 91 HD2 LYS 11 HD2 LYS 11 -9.946 -0.829 9.475 92 HD3 LYS 11 HD1 LYS 11 -11.456 0.035 9.766 93 HE2 LYS 11 HE2 LYS 11 -10.634 -0.582 12.300 94 HE3 LYS 11 HE1 LYS 11 -9.106 -0.277 11.473 95 HZ1 LYS 11 HZ1 LYS 11 -10.437 1.799 10.612 96 HZ2 LYS 11 HZ2 LYS 11 -9.641 1.821 12.110 97 HZ3 LYS 11 HZ3 LYS 11 -11.313 1.554 12.040 98 H LEU 12 HN LEU 12 -10.836 -1.055 6.206 99 HA LEU 12 HA LEU 12 -11.879 -2.253 3.946 100 HB2 LEU 12 HB2 LEU 12 -10.286 -0.418 3.880 101 HB3 LEU 12 HB1 LEU 12 -9.020 -1.475 4.479 102 HG LEU 12 HG LEU 12 -9.457 -2.880 2.369 103 HD11 LEU 12 HD11 LEU 12 -10.780 -0.293 1.566 104 HD12 LEU 12 HD12 LEU 12 -11.556 -1.872 1.710 105 HD13 LEU 12 HD13 LEU 12 -10.335 -1.601 0.467 106 HD21 LEU 12 HD21 LEU 12 -8.054 -1.299 1.010 107 HD22 LEU 12 HD22 LEU 12 -7.423 -1.711 2.600 108 HD23 LEU 12 HD23 LEU 12 -8.204 -0.152 2.341 109 HA PRO 13 HA PRO 13 -8.501 -5.849 4.486 110 HB2 PRO 13 HB2 PRO 13 -8.448 -6.531 7.221 111 HB3 PRO 13 HB1 PRO 13 -7.141 -5.755 6.310 112 HG2 PRO 13 HG2 PRO 13 -9.175 -4.540 8.086 113 HG3 PRO 13 HG1 PRO 13 -7.481 -4.085 7.820 114 HD2 PRO 13 HD2 PRO 13 -9.457 -2.652 6.758 115 HD3 PRO 13 HD1 PRO 13 -7.951 -2.940 5.862 116 H GLN 14 HN GLN 14 -11.172 -5.426 6.795 117 HA GLN 14 HA GLN 14 -12.001 -8.161 6.623 118 HB2 GLN 14 HB2 GLN 14 -12.362 -6.447 8.545 119 HB3 GLN 14 HB1 GLN 14 -13.760 -5.942 7.606 120 HG2 GLN 14 HG2 GLN 14 -14.731 -8.120 7.760 121 HG3 GLN 14 HG1 GLN 14 -13.275 -8.769 8.511 122 HE21 GLN 14 HE21 GLN 14 -14.356 -9.454 10.335 123 HE22 GLN 14 HE22 GLN 14 -14.969 -8.359 11.520 124 H LEU 15 HN LEU 15 -12.823 -5.177 4.996 125 HA LEU 15 HA LEU 15 -15.230 -6.033 3.784 126 HB2 LEU 15 HB2 LEU 15 -14.549 -3.672 3.891 127 HB3 LEU 15 HB1 LEU 15 -13.205 -4.006 2.815 128 HG LEU 15 HG LEU 15 -14.891 -4.672 1.063 129 HD11 LEU 15 HD11 LEU 15 -16.766 -5.122 2.546 130 HD12 LEU 15 HD12 LEU 15 -17.184 -3.889 1.355 131 HD13 LEU 15 HD13 LEU 15 -16.815 -3.424 3.016 132 HD21 LEU 15 HD21 LEU 15 -15.413 -2.390 0.447 133 HD22 LEU 15 HD22 LEU 15 -13.772 -2.482 1.087 134 HD23 LEU 15 HD23 LEU 15 -15.077 -1.843 2.088 135 H CYS 16 HN CYS 16 -11.848 -6.347 2.931 136 HA CYS 16 HA CYS 16 -12.196 -7.322 0.307 137 HB2 CYS 16 HB2 CYS 16 -9.939 -7.937 2.226 138 HB3 CYS 16 HB1 CYS 16 -9.889 -8.082 0.471 139 HG CYS 16 HG CYS 16 -10.314 -5.109 2.120 140 H THR 17 HN THR 17 -12.264 -8.829 3.469 141 HA THR 17 HA THR 17 -12.197 -11.514 2.541 142 HB THR 17 HB THR 17 -13.606 -11.056 5.075 143 HG1 THR 17 HG1 THR 17 -10.900 -10.184 4.804 144 HG21 THR 17 HG21 THR 17 -11.065 -12.528 4.357 145 HG22 THR 17 HG22 THR 17 -12.682 -13.230 4.403 146 HG23 THR 17 HG23 THR 17 -11.930 -12.648 5.888 147 H GLU 18 HN GLU 18 -14.779 -9.219 3.305 148 HA GLU 18 HA GLU 18 -16.927 -11.040 3.023 149 HB2 GLU 18 HB2 GLU 18 -16.808 -8.036 2.742 150 HB3 GLU 18 HB1 GLU 18 -18.305 -8.952 2.674 151 HG2 GLU 18 HG2 GLU 18 -17.126 -9.829 5.007 152 HG3 GLU 18 HG1 GLU 18 -16.732 -8.110 4.960 153 H LEU 19 HN LEU 19 -15.225 -8.938 0.774 154 HA LEU 19 HA LEU 19 -16.943 -9.594 -1.447 155 HB2 LEU 19 HB2 LEU 19 -14.727 -7.776 -0.915 156 HB3 LEU 19 HB1 LEU 19 -14.611 -8.527 -2.495 157 HG LEU 19 HG LEU 19 -17.044 -7.030 -1.517 158 HD11 LEU 19 HD11 LEU 19 -14.833 -6.109 -3.347 159 HD12 LEU 19 HD12 LEU 19 -15.119 -5.533 -1.704 160 HD13 LEU 19 HD13 LEU 19 -16.306 -5.217 -2.969 161 HD21 LEU 19 HD21 LEU 19 -17.482 -8.718 -3.252 162 HD22 LEU 19 HD22 LEU 19 -16.256 -7.970 -4.272 163 HD23 LEU 19 HD23 LEU 19 -17.718 -7.078 -3.855 164 H GLN 20 HN GLN 20 -14.487 -11.176 0.142 165 HA GLN 20 HA GLN 20 -13.196 -12.995 -0.261 166 HB2 GLN 20 HB2 GLN 20 -15.265 -13.337 -2.427 167 HB3 GLN 20 HB1 GLN 20 -13.990 -14.515 -2.152 168 HG2 GLN 20 HG2 GLN 20 -15.951 -13.653 -0.044 169 HG3 GLN 20 HG1 GLN 20 -16.194 -15.045 -1.098 170 HE21 GLN 20 HE21 GLN 20 -14.509 -13.781 1.640 171 HE22 GLN 20 HE22 GLN 20 -13.727 -15.260 2.100 172 H THR 21 HN THR 21 -12.016 -10.734 -1.098 173 HA THR 21 HA THR 21 -10.458 -11.694 -3.357 174 HB THR 21 HB THR 21 -12.276 -10.210 -4.294 175 HG1 THR 21 HG1 THR 21 -10.751 -9.050 -5.626 176 HG21 THR 21 HG21 THR 21 -12.349 -8.563 -2.473 177 HG22 THR 21 HG22 THR 21 -12.035 -7.792 -4.028 178 HG23 THR 21 HG23 THR 21 -10.714 -8.039 -2.884 179 H THR 22 HN THR 22 -8.665 -9.839 -3.753 180 HA THR 22 HA THR 22 -7.461 -9.476 -1.110 181 HB THR 22 HB THR 22 -5.328 -9.158 -2.405 182 HG1 THR 22 HG1 THR 22 -6.669 -10.300 -4.618 183 HG21 THR 22 HG21 THR 22 -5.083 -11.559 -2.969 184 HG22 THR 22 HG22 THR 22 -6.826 -11.756 -2.791 185 HG23 THR 22 HG23 THR 22 -5.842 -11.309 -1.398 186 H ILE 23 HN ILE 23 -6.081 -7.547 -0.831 187 HA ILE 23 HA ILE 23 -7.577 -5.176 -1.239 188 HB ILE 23 HB ILE 23 -4.688 -5.306 -0.371 189 HG12 ILE 23 HG12 ILE 23 -7.101 -5.578 1.430 190 HG13 ILE 23 HG11 ILE 23 -6.176 -6.957 0.846 191 HG21 ILE 23 HG21 ILE 23 -5.267 -3.326 0.938 192 HG22 ILE 23 HG22 ILE 23 -6.921 -3.401 0.334 193 HG23 ILE 23 HG23 ILE 23 -5.593 -3.068 -0.776 194 HD11 ILE 23 HD11 ILE 23 -5.070 -4.704 2.503 195 HD12 ILE 23 HD12 ILE 23 -4.204 -6.151 1.982 196 HD13 ILE 23 HD13 ILE 23 -5.553 -6.288 3.111 197 H HIS 24 HN HIS 24 -5.324 -6.797 -3.194 198 HA HIS 24 HA HIS 24 -4.476 -4.393 -4.601 199 HB2 HIS 24 HB2 HIS 24 -3.707 -6.891 -5.881 200 HB3 HIS 24 HB1 HIS 24 -2.699 -5.577 -5.296 201 HD1 HIS 24 HD1 HIS 24 -2.003 -5.747 -2.680 202 HD2 HIS 24 HD2 HIS 24 -3.662 -9.151 -4.397 203 HE1 HIS 24 HE1 HIS 24 -1.459 -7.667 -1.127 204 H ASP 25 HN ASP 25 -7.113 -6.362 -4.644 205 HA ASP 25 HA ASP 25 -7.539 -5.958 -7.533 206 HB2 ASP 25 HB2 ASP 25 -7.524 -8.311 -7.034 207 HB3 ASP 25 HB1 ASP 25 -8.647 -8.087 -5.698 208 H ILE 26 HN ILE 26 -8.943 -5.659 -4.331 209 HA ILE 26 HA ILE 26 -11.524 -4.897 -5.109 210 HB ILE 26 HB ILE 26 -11.013 -5.571 -2.823 211 HG12 ILE 26 HG12 ILE 26 -11.999 -2.714 -2.854 212 HG13 ILE 26 HG11 ILE 26 -12.976 -4.099 -3.329 213 HG21 ILE 26 HG21 ILE 26 -9.817 -4.178 -1.275 214 HG22 ILE 26 HG22 ILE 26 -9.602 -2.929 -2.500 215 HG23 ILE 26 HG23 ILE 26 -8.792 -4.485 -2.675 216 HD11 ILE 26 HD11 ILE 26 -13.480 -3.424 -1.064 217 HD12 ILE 26 HD12 ILE 26 -11.789 -3.616 -0.606 218 HD13 ILE 26 HD13 ILE 26 -12.741 -5.024 -1.077 219 H ILE 27 HN ILE 27 -12.268 -3.142 -6.061 220 HA ILE 27 HA ILE 27 -10.624 -0.698 -6.015 221 HB ILE 27 HB ILE 27 -12.464 -1.719 -8.186 222 HG12 ILE 27 HG12 ILE 27 -10.227 -2.756 -8.129 223 HG13 ILE 27 HG11 ILE 27 -10.448 -1.765 -9.568 224 HG21 ILE 27 HG21 ILE 27 -10.932 0.880 -8.153 225 HG22 ILE 27 HG22 ILE 27 -12.669 0.728 -7.880 226 HG23 ILE 27 HG23 ILE 27 -11.980 0.281 -9.441 227 HD11 ILE 27 HD11 ILE 27 -9.198 0.054 -8.417 228 HD12 ILE 27 HD12 ILE 27 -8.250 -1.400 -8.729 229 HD13 ILE 27 HD13 ILE 27 -8.863 -1.079 -7.107 230 H LEU 28 HN LEU 28 -11.511 0.556 -4.499 231 HA LEU 28 HA LEU 28 -14.420 0.672 -4.272 232 HB2 LEU 28 HB2 LEU 28 -12.301 0.807 -2.401 233 HB3 LEU 28 HB1 LEU 28 -13.087 2.375 -2.395 234 HG LEU 28 HG LEU 28 -15.225 1.354 -1.870 235 HD11 LEU 28 HD11 LEU 28 -15.324 -1.079 -1.347 236 HD12 LEU 28 HD12 LEU 28 -13.724 -1.250 -2.071 237 HD13 LEU 28 HD13 LEU 28 -15.088 -0.717 -3.054 238 HD21 LEU 28 HD21 LEU 28 -13.982 1.921 0.050 239 HD22 LEU 28 HD22 LEU 28 -12.919 0.525 -0.129 240 HD23 LEU 28 HD23 LEU 28 -14.603 0.299 0.345 241 H GLU 29 HN GLU 29 -15.504 2.722 -4.188 242 HA GLU 29 HA GLU 29 -14.171 4.728 -5.875 243 HB2 GLU 29 HB2 GLU 29 -16.287 3.423 -6.642 244 HB3 GLU 29 HB1 GLU 29 -17.144 4.487 -5.539 245 HG2 GLU 29 HG2 GLU 29 -16.380 6.421 -6.769 246 HG3 GLU 29 HG1 GLU 29 -15.432 5.390 -7.841 247 H CYS 30 HN CYS 30 -14.501 6.941 -5.383 248 HA CYS 30 HA CYS 30 -14.653 7.531 -2.609 249 HB2 CYS 30 HB2 CYS 30 -13.261 8.877 -4.107 250 HB3 CYS 30 HB1 CYS 30 -14.687 9.385 -5.004 251 H VAL 31 HN VAL 31 -16.273 8.392 -1.434 252 HA VAL 31 HA VAL 31 -18.945 8.072 -2.462 253 HB VAL 31 HB VAL 31 -18.390 7.359 -0.183 254 HG11 VAL 31 HG11 VAL 31 -17.830 10.277 0.267 255 HG12 VAL 31 HG12 VAL 31 -16.728 8.915 0.473 256 HG13 VAL 31 HG13 VAL 31 -18.090 9.124 1.575 257 HG21 VAL 31 HG21 VAL 31 -20.312 9.667 -0.010 258 HG22 VAL 31 HG22 VAL 31 -20.324 8.168 0.921 259 HG23 VAL 31 HG23 VAL 31 -20.706 8.141 -0.801 260 H TYR 32 HN TYR 32 -16.712 10.658 -2.141 261 HA TYR 32 HA TYR 32 -18.818 12.675 -2.119 262 HB2 TYR 32 HB2 TYR 32 -15.814 12.983 -2.036 263 HB3 TYR 32 HB1 TYR 32 -16.975 14.301 -1.906 264 HD1 TYR 32 HD2 TYR 32 -18.584 14.283 0.071 265 HD2 TYR 32 HD1 TYR 32 -15.166 11.762 -0.139 266 HE1 TYR 32 HE2 TYR 32 -18.693 13.943 2.504 267 HE2 TYR 32 HE1 TYR 32 -15.267 11.414 2.292 268 HH TYR 32 HH TYR 32 -16.157 12.467 4.267 269 H CYS 33 HN CYS 33 -15.816 12.325 -4.041 270 HA CYS 33 HA CYS 33 -17.042 13.814 -6.195 271 HB2 CYS 33 HB2 CYS 33 -14.547 12.816 -7.020 272 HB3 CYS 33 HB1 CYS 33 -14.921 14.444 -6.460 273 H LYS 34 HN LYS 34 -16.942 10.571 -5.342 274 HA LYS 34 HA LYS 34 -17.482 8.634 -6.403 275 HB2 LYS 34 HB2 LYS 34 -18.727 10.649 -8.259 276 HB3 LYS 34 HB1 LYS 34 -18.772 8.933 -8.640 277 HG2 LYS 34 HG2 LYS 34 -20.802 9.332 -7.582 278 HG3 LYS 34 HG1 LYS 34 -19.800 8.640 -6.309 279 HD2 LYS 34 HD2 LYS 34 -19.341 10.866 -5.438 280 HD3 LYS 34 HD1 LYS 34 -20.294 11.583 -6.737 281 HE2 LYS 34 HE2 LYS 34 -22.307 10.642 -5.900 282 HE3 LYS 34 HE1 LYS 34 -21.432 9.609 -4.771 283 HZ1 LYS 34 HZ1 LYS 34 -21.304 12.561 -4.619 284 HZ2 LYS 34 HZ2 LYS 34 -20.878 11.435 -3.431 285 HZ3 LYS 34 HZ3 LYS 34 -22.505 11.675 -3.829 286 H GLN 35 HN GLN 35 -15.010 8.802 -6.571 287 HA GLN 35 HA GLN 35 -14.239 8.388 -9.385 288 HB2 GLN 35 HB2 GLN 35 -12.439 9.454 -7.200 289 HB3 GLN 35 HB1 GLN 35 -12.047 9.293 -8.906 290 HG2 GLN 35 HG2 GLN 35 -14.303 11.043 -8.008 291 HG3 GLN 35 HG1 GLN 35 -12.633 11.613 -7.976 292 HE21 GLN 35 HE21 GLN 35 -15.316 10.689 -9.966 293 HE22 GLN 35 HE22 GLN 35 -14.665 11.274 -11.460 294 H GLN 36 HN GLN 36 -13.152 6.508 -9.808 295 HA GLN 36 HA GLN 36 -13.140 4.485 -7.794 296 HB2 GLN 36 HB2 GLN 36 -12.109 4.535 -10.631 297 HB3 GLN 36 HB1 GLN 36 -12.022 3.111 -9.602 298 HG2 GLN 36 HG2 GLN 36 -14.413 3.003 -9.450 299 HG3 GLN 36 HG1 GLN 36 -14.577 4.535 -10.306 300 HE21 GLN 36 HE21 GLN 36 -13.864 1.150 -10.592 301 HE22 GLN 36 HE22 GLN 36 -13.981 1.066 -12.313 302 H LEU 37 HN LEU 37 -11.617 4.109 -6.346 303 HA LEU 37 HA LEU 37 -9.055 5.459 -6.540 304 HB2 LEU 37 HB2 LEU 37 -10.480 3.912 -4.403 305 HB3 LEU 37 HB1 LEU 37 -8.757 4.198 -4.270 306 HG LEU 37 HG LEU 37 -9.404 6.703 -4.592 307 HD11 LEU 37 HD11 LEU 37 -11.716 6.430 -5.172 308 HD12 LEU 37 HD12 LEU 37 -11.619 7.206 -3.590 309 HD13 LEU 37 HD13 LEU 37 -12.017 5.491 -3.707 310 HD21 LEU 37 HD21 LEU 37 -8.409 5.955 -2.573 311 HD22 LEU 37 HD22 LEU 37 -9.871 5.097 -2.089 312 HD23 LEU 37 HD23 LEU 37 -9.852 6.860 -2.121 313 H LEU 38 HN LEU 38 -7.178 4.533 -7.035 314 HA LEU 38 HA LEU 38 -7.150 1.811 -7.983 315 HB2 LEU 38 HB2 LEU 38 -5.912 3.707 -9.077 316 HB3 LEU 38 HB1 LEU 38 -4.848 3.749 -7.685 317 HG LEU 38 HG LEU 38 -4.188 1.389 -8.203 318 HD11 LEU 38 HD11 LEU 38 -5.737 1.913 -10.737 319 HD12 LEU 38 HD12 LEU 38 -6.135 0.728 -9.493 320 HD13 LEU 38 HD13 LEU 38 -4.668 0.539 -10.453 321 HD21 LEU 38 HD21 LEU 38 -2.775 2.015 -10.151 322 HD22 LEU 38 HD22 LEU 38 -2.742 3.196 -8.842 323 HD23 LEU 38 HD23 LEU 38 -3.700 3.509 -10.288 324 H ARG 39 HN ARG 39 -5.516 0.226 -7.195 325 HA ARG 39 HA ARG 39 -5.719 -0.253 -4.486 326 HB2 ARG 39 HB2 ARG 39 -3.799 -1.852 -4.781 327 HB3 ARG 39 HB1 ARG 39 -5.148 -2.078 -5.882 328 HG2 ARG 39 HG2 ARG 39 -3.908 -0.953 -7.651 329 HG3 ARG 39 HG1 ARG 39 -2.556 -0.696 -6.546 330 HD2 ARG 39 HD2 ARG 39 -3.592 -3.463 -6.955 331 HD3 ARG 39 HD1 ARG 39 -2.579 -2.741 -8.198 332 HE ARG 39 HE ARG 39 -1.773 -3.342 -5.428 333 HH11 ARG 39 HH11 ARG 39 -0.937 -2.475 -8.725 334 HH12 ARG 39 HH12 ARG 39 0.771 -2.646 -8.465 335 HH21 ARG 39 HH21 ARG 39 0.494 -3.578 -5.109 336 HH22 ARG 39 HH22 ARG 39 1.586 -3.237 -6.419 337 H ARG 40 HN ARG 40 -3.515 1.827 -6.124 338 HA ARG 40 HA ARG 40 -1.419 1.992 -4.279 339 HB2 ARG 40 HB2 ARG 40 -1.427 3.011 -6.552 340 HB3 ARG 40 HB1 ARG 40 -2.561 4.222 -5.976 341 HG2 ARG 40 HG2 ARG 40 -0.820 4.860 -4.263 342 HG3 ARG 40 HG1 ARG 40 0.303 3.830 -5.151 343 HD2 ARG 40 HD2 ARG 40 0.721 5.871 -6.117 344 HD3 ARG 40 HD1 ARG 40 -0.508 5.227 -7.204 345 HE ARG 40 HE ARG 40 -1.858 6.637 -5.234 346 HH11 ARG 40 HH11 ARG 40 0.488 7.326 -7.751 347 HH12 ARG 40 HH12 ARG 40 -0.042 8.958 -7.973 348 HH21 ARG 40 HH21 ARG 40 -2.592 8.770 -5.557 349 HH22 ARG 40 HH22 ARG 40 -1.804 9.783 -6.736 350 H GLU 41 HN GLU 41 -4.478 3.766 -4.476 351 HA GLU 41 HA GLU 41 -3.908 5.273 -2.074 352 HB2 GLU 41 HB2 GLU 41 -6.576 5.144 -3.462 353 HB3 GLU 41 HB1 GLU 41 -5.911 6.451 -2.493 354 HG2 GLU 41 HG2 GLU 41 -4.975 5.609 -5.229 355 HG3 GLU 41 HG1 GLU 41 -5.945 7.029 -4.851 356 H VAL 42 HN VAL 42 -5.664 2.445 -3.041 357 HA VAL 42 HA VAL 42 -7.338 2.121 -0.819 358 HB VAL 42 HB VAL 42 -6.072 0.031 -2.601 359 HG11 VAL 42 HG11 VAL 42 -7.882 -1.444 -1.862 360 HG12 VAL 42 HG12 VAL 42 -8.398 -0.219 -0.705 361 HG13 VAL 42 HG13 VAL 42 -6.821 -0.988 -0.532 362 HG21 VAL 42 HG21 VAL 42 -8.269 0.045 -3.723 363 HG22 VAL 42 HG22 VAL 42 -7.444 1.599 -3.832 364 HG23 VAL 42 HG23 VAL 42 -8.767 1.382 -2.686 365 H TYR 43 HN TYR 43 -3.970 1.242 -1.376 366 HA TYR 43 HA TYR 43 -3.597 -0.280 0.973 367 HB2 TYR 43 HB2 TYR 43 -1.625 1.315 -0.668 368 HB3 TYR 43 HB1 TYR 43 -1.165 0.249 0.653 369 HD1 TYR 43 HD1 TYR 43 -3.362 -1.875 -0.124 370 HD2 TYR 43 HD2 TYR 43 -0.292 0.136 -2.280 371 HE1 TYR 43 HE1 TYR 43 -3.245 -3.753 -1.700 372 HE2 TYR 43 HE2 TYR 43 -0.172 -1.739 -3.863 373 HH TYR 43 HH TYR 43 -0.795 -4.397 -3.601 374 H ASP 44 HN ASP 44 -3.405 3.162 0.290 375 HA ASP 44 HA ASP 44 -2.197 3.914 2.742 376 HB2 ASP 44 HB2 ASP 44 -2.656 5.239 0.452 377 HB3 ASP 44 HB1 ASP 44 -4.017 5.836 1.396 378 H PHE 45 HN PHE 45 -5.500 3.409 1.725 379 HA PHE 45 HA PHE 45 -6.793 4.565 3.947 380 HB2 PHE 45 HB2 PHE 45 -7.694 3.630 1.624 381 HB3 PHE 45 HB1 PHE 45 -7.981 2.186 2.586 382 HD1 PHE 45 HD1 PHE 45 -8.897 5.696 2.082 383 HD2 PHE 45 HD2 PHE 45 -9.694 2.133 4.267 384 HE1 PHE 45 HE1 PHE 45 -11.008 6.668 2.885 385 HE2 PHE 45 HE2 PHE 45 -11.810 3.098 5.076 386 HZ PHE 45 HZ PHE 45 -12.468 5.369 4.385 387 H ALA 46 HN ALA 46 -5.388 1.402 3.387 388 HA ALA 46 HA ALA 46 -6.418 0.312 5.866 389 HB1 ALA 46 HB1 ALA 46 -4.572 -0.807 3.770 390 HB2 ALA 46 HB2 ALA 46 -6.265 -1.212 4.042 391 HB3 ALA 46 HB3 ALA 46 -5.049 -1.682 5.226 392 H PHE 47 HN PHE 47 -3.514 1.824 4.703 393 HA PHE 47 HA PHE 47 -1.785 0.937 6.784 394 HB2 PHE 47 HB2 PHE 47 -1.601 2.569 4.441 395 HB3 PHE 47 HB1 PHE 47 -0.888 3.438 5.793 396 HD1 PHE 47 HD2 PHE 47 1.022 2.478 7.016 397 HD2 PHE 47 HD1 PHE 47 -0.548 0.649 3.507 398 HE1 PHE 47 HE2 PHE 47 3.084 1.157 6.785 399 HE2 PHE 47 HE1 PHE 47 1.513 -0.677 3.271 400 HZ PHE 47 HZ PHE 47 3.331 -0.422 4.911 401 H ARG 48 HN ARG 48 -4.214 3.345 6.588 402 HA ARG 48 HA ARG 48 -3.308 4.517 9.135 403 HB2 ARG 48 HB2 ARG 48 -5.218 5.777 7.161 404 HB3 ARG 48 HB1 ARG 48 -4.463 6.539 8.553 405 HG2 ARG 48 HG2 ARG 48 -2.272 6.322 7.469 406 HG3 ARG 48 HG1 ARG 48 -3.054 5.604 6.060 407 HD2 ARG 48 HD2 ARG 48 -4.496 7.770 6.100 408 HD3 ARG 48 HD1 ARG 48 -3.176 8.412 7.077 409 HE ARG 48 HE ARG 48 -2.406 7.167 4.561 410 HH11 ARG 48 HH11 ARG 48 -3.198 10.135 6.255 411 HH12 ARG 48 HH12 ARG 48 -2.424 11.153 5.084 412 HH21 ARG 48 HH21 ARG 48 -1.443 8.498 2.997 413 HH22 ARG 48 HH22 ARG 48 -1.433 10.223 3.222 414 H ASP 49 HN ASP 49 -5.024 5.014 10.699 415 HA ASP 49 HA ASP 49 -7.014 2.919 10.699 416 HB2 ASP 49 HB2 ASP 49 -5.894 3.430 12.804 417 HB3 ASP 49 HB1 ASP 49 -6.481 5.090 12.734 418 H LEU 50 HN LEU 50 -8.251 3.547 8.922 419 HA LEU 50 HA LEU 50 -10.019 5.845 9.436 420 HB2 LEU 50 HB2 LEU 50 -8.995 4.675 6.861 421 HB3 LEU 50 HB1 LEU 50 -10.423 5.689 6.905 422 HG LEU 50 HG LEU 50 -7.791 6.636 8.011 423 HD11 LEU 50 HD11 LEU 50 -8.816 6.909 5.190 424 HD12 LEU 50 HD12 LEU 50 -7.382 6.023 5.709 425 HD13 LEU 50 HD13 LEU 50 -7.437 7.780 5.861 426 HD21 LEU 50 HD21 LEU 50 -8.766 8.833 7.676 427 HD22 LEU 50 HD22 LEU 50 -9.837 7.841 8.664 428 HD23 LEU 50 HD23 LEU 50 -10.205 8.109 6.962 429 H CYS 51 HN CYS 51 -12.149 5.485 8.063 430 HA CYS 51 HA CYS 51 -13.061 2.727 8.457 431 HB2 CYS 51 HB2 CYS 51 -14.535 5.223 9.324 432 HB3 CYS 51 HB1 CYS 51 -15.194 3.593 9.371 433 HG CYS 51 HG CYS 51 -12.694 4.893 11.295 434 H ILE 52 HN ILE 52 -14.660 2.039 7.045 435 HA ILE 52 HA ILE 52 -14.740 3.423 4.520 436 HB ILE 52 HB ILE 52 -16.131 0.879 5.375 437 HG12 ILE 52 HG12 ILE 52 -13.584 1.172 3.776 438 HG13 ILE 52 HG11 ILE 52 -13.612 0.878 5.511 439 HG21 ILE 52 HG21 ILE 52 -15.625 2.020 2.629 440 HG22 ILE 52 HG22 ILE 52 -17.189 1.857 3.428 441 HG23 ILE 52 HG23 ILE 52 -16.282 0.418 2.959 442 HD11 ILE 52 HD11 ILE 52 -15.219 -0.977 3.913 443 HD12 ILE 52 HD12 ILE 52 -14.127 -1.282 5.264 444 HD13 ILE 52 HD13 ILE 52 -13.478 -1.050 3.640 445 H VAL 53 HN VAL 53 -16.391 4.521 3.648 446 HA VAL 53 HA VAL 53 -18.728 5.015 5.346 447 HB VAL 53 HB VAL 53 -19.070 6.910 3.572 448 HG11 VAL 53 HG11 VAL 53 -17.668 8.417 4.910 449 HG12 VAL 53 HG12 VAL 53 -16.865 7.021 5.627 450 HG13 VAL 53 HG13 VAL 53 -18.582 7.298 5.922 451 HG21 VAL 53 HG21 VAL 53 -16.119 6.336 3.262 452 HG22 VAL 53 HG22 VAL 53 -16.951 7.767 2.657 453 HG23 VAL 53 HG23 VAL 53 -17.350 6.177 2.008 454 H TYR 54 HN TYR 54 -20.772 4.553 4.649 455 HA TYR 54 HA TYR 54 -20.953 3.183 2.054 456 HB2 TYR 54 HB2 TYR 54 -22.364 2.669 4.664 457 HB3 TYR 54 HB1 TYR 54 -22.953 2.015 3.137 458 HD1 TYR 54 HD2 TYR 54 -20.028 2.041 5.428 459 HD2 TYR 54 HD1 TYR 54 -22.002 0.073 2.216 460 HE1 TYR 54 HE2 TYR 54 -18.463 0.155 5.633 461 HE2 TYR 54 HE1 TYR 54 -20.443 -1.816 2.410 462 HH TYR 54 HH TYR 54 -18.043 -1.982 4.990 463 H ARG 55 HN ARG 55 -21.879 4.434 0.604 464 HA ARG 55 HA ARG 55 -23.936 6.349 1.392 465 HB2 ARG 55 HB2 ARG 55 -21.943 6.637 -0.361 466 HB3 ARG 55 HB1 ARG 55 -23.129 5.947 -1.456 467 HG2 ARG 55 HG2 ARG 55 -23.789 8.318 0.253 468 HG3 ARG 55 HG1 ARG 55 -22.954 8.498 -1.290 469 HD2 ARG 55 HD2 ARG 55 -25.668 7.269 -0.827 470 HD3 ARG 55 HD1 ARG 55 -25.325 8.814 -1.603 471 HE ARG 55 HE ARG 55 -23.951 6.989 -3.103 472 HH11 ARG 55 HH11 ARG 55 -27.293 7.407 -2.153 473 HH12 ARG 55 HH12 ARG 55 -27.926 6.590 -3.545 474 HH21 ARG 55 HH21 ARG 55 -24.787 5.917 -4.949 475 HH22 ARG 55 HH22 ARG 55 -26.503 5.734 -5.129 476 H ASP 56 HN ASP 56 -25.918 5.581 1.552 477 HA ASP 56 HA ASP 56 -27.909 4.617 1.046 478 HB2 ASP 56 HB2 ASP 56 -27.738 5.347 -1.231 479 HB3 ASP 56 HB1 ASP 56 -26.569 4.089 -1.611 480 H GLY 57 HN GLY 57 -25.600 2.454 -0.601 481 HA2 GLY 57 HA2 GLY 57 -25.662 0.496 1.469 482 HA3 GLY 57 HA1 GLY 57 -26.751 0.060 0.160 483 H ASN 58 HN ASN 58 -23.725 1.795 -0.221 484 HA ASN 58 HA ASN 58 -22.478 -0.612 -1.338 485 HB2 ASN 58 HB2 ASN 58 -23.592 1.083 -3.050 486 HB3 ASN 58 HB1 ASN 58 -22.105 1.985 -2.777 487 HD21 ASN 58 HD21 ASN 58 -21.357 1.697 -4.855 488 HD22 ASN 58 HD22 ASN 58 -20.793 0.165 -5.438 489 HA PRO 59 HA PRO 59 -19.136 0.868 1.199 490 HB2 PRO 59 HB2 PRO 59 -17.159 -0.711 0.152 491 HB3 PRO 59 HB1 PRO 59 -18.383 -1.309 1.290 492 HG2 PRO 59 HG2 PRO 59 -18.273 -1.583 -1.673 493 HG3 PRO 59 HG1 PRO 59 -18.754 -2.769 -0.443 494 HD2 PRO 59 HD2 PRO 59 -20.566 -1.395 -1.902 495 HD3 PRO 59 HD1 PRO 59 -20.868 -1.899 -0.228 496 H TYR 60 HN TYR 60 -18.230 2.795 0.884 497 HA TYR 60 HA TYR 60 -16.749 3.223 -1.616 498 HB2 TYR 60 HB2 TYR 60 -18.575 5.155 -0.185 499 HB3 TYR 60 HB1 TYR 60 -17.417 5.650 -1.419 500 HD1 TYR 60 HD1 TYR 60 -17.570 3.849 -3.549 501 HD2 TYR 60 HD2 TYR 60 -20.737 5.081 -0.989 502 HE1 TYR 60 HE1 TYR 60 -19.198 3.286 -5.300 503 HE2 TYR 60 HE2 TYR 60 -22.371 4.520 -2.740 504 HH TYR 60 HH TYR 60 -22.214 4.358 -5.414 505 H ALA 61 HN ALA 61 -15.035 4.795 -1.463 506 HA ALA 61 HA ALA 61 -13.874 4.856 1.243 507 HB1 ALA 61 HB1 ALA 61 -12.696 3.387 -0.389 508 HB2 ALA 61 HB2 ALA 61 -11.690 4.683 0.255 509 HB3 ALA 61 HB3 ALA 61 -12.366 4.815 -1.366 510 H VAL 62 HN VAL 62 -11.834 6.548 0.891 511 HA VAL 62 HA VAL 62 -13.026 9.060 -0.062 512 HB VAL 62 HB VAL 62 -11.269 8.895 2.392 513 HG11 VAL 62 HG11 VAL 62 -12.138 11.102 2.858 514 HG12 VAL 62 HG12 VAL 62 -13.207 11.002 1.460 515 HG13 VAL 62 HG13 VAL 62 -11.460 11.057 1.230 516 HG21 VAL 62 HG21 VAL 62 -13.241 7.579 2.893 517 HG22 VAL 62 HG22 VAL 62 -14.284 8.875 2.311 518 HG23 VAL 62 HG23 VAL 62 -13.305 9.113 3.759 519 H CYS 63 HN CYS 63 -11.761 9.909 -1.613 520 HA CYS 63 HA CYS 63 -9.149 8.889 -2.114 521 HB2 CYS 63 HB2 CYS 63 -9.138 10.784 -3.852 522 HB3 CYS 63 HB1 CYS 63 -10.323 9.497 -4.045 523 H ASP 64 HN ASP 64 -7.362 10.539 -2.611 524 HA ASP 64 HA ASP 64 -6.405 11.565 -0.203 525 HB2 ASP 64 HB2 ASP 64 -5.047 10.904 -2.205 526 HB3 ASP 64 HB1 ASP 64 -5.533 12.412 -2.969 527 H LYS 65 HN LYS 65 -8.472 13.042 -2.552 528 HA LYS 65 HA LYS 65 -7.888 15.752 -1.839 529 HB2 LYS 65 HB2 LYS 65 -10.328 14.634 -3.230 530 HB3 LYS 65 HB1 LYS 65 -9.856 16.326 -3.174 531 HG2 LYS 65 HG2 LYS 65 -8.734 16.018 -5.059 532 HG3 LYS 65 HG1 LYS 65 -7.642 14.936 -4.189 533 HD2 LYS 65 HD2 LYS 65 -8.507 13.761 -6.094 534 HD3 LYS 65 HD1 LYS 65 -9.235 13.070 -4.641 535 HE2 LYS 65 HE2 LYS 65 -11.115 14.845 -5.147 536 HE3 LYS 65 HE1 LYS 65 -10.465 14.740 -6.782 537 HZ1 LYS 65 HZ1 LYS 65 -12.365 13.183 -6.112 538 HZ2 LYS 65 HZ2 LYS 65 -11.183 12.303 -5.280 539 HZ3 LYS 65 HZ3 LYS 65 -11.055 12.522 -6.957 540 H CYS 66 HN CYS 66 -10.773 13.713 -1.261 541 HA CYS 66 HA CYS 66 -11.855 15.528 0.655 542 HB2 CYS 66 HB2 CYS 66 -12.760 12.706 0.588 543 HB3 CYS 66 HB1 CYS 66 -13.698 14.193 0.611 544 H LEU 67 HN LEU 67 -9.558 13.010 0.821 545 HA LEU 67 HA LEU 67 -9.866 11.942 3.331 546 HB2 LEU 67 HB2 LEU 67 -8.104 11.537 1.439 547 HB3 LEU 67 HB1 LEU 67 -7.135 12.655 2.381 548 HG LEU 67 HG LEU 67 -7.369 11.154 4.350 549 HD11 LEU 67 HD11 LEU 67 -8.804 9.412 2.351 550 HD12 LEU 67 HD12 LEU 67 -9.392 9.993 3.910 551 HD13 LEU 67 HD13 LEU 67 -8.102 8.794 3.847 552 HD21 LEU 67 HD21 LEU 67 -5.407 11.043 2.871 553 HD22 LEU 67 HD22 LEU 67 -6.228 9.829 1.890 554 HD23 LEU 67 HD23 LEU 67 -5.808 9.472 3.563 555 H LYS 68 HN LYS 68 -8.368 15.043 2.495 556 HA LYS 68 HA LYS 68 -7.571 15.536 5.227 557 HB2 LYS 68 HB2 LYS 68 -6.945 17.809 4.354 558 HB3 LYS 68 HB1 LYS 68 -6.122 16.452 3.603 559 HG2 LYS 68 HG2 LYS 68 -8.431 16.950 2.072 560 HG3 LYS 68 HG1 LYS 68 -7.671 18.510 2.389 561 HD2 LYS 68 HD2 LYS 68 -5.482 17.413 1.687 562 HD3 LYS 68 HD1 LYS 68 -6.472 16.085 1.079 563 HE2 LYS 68 HE2 LYS 68 -6.167 17.428 -0.796 564 HE3 LYS 68 HE1 LYS 68 -7.752 17.917 -0.208 565 HZ1 LYS 68 HZ1 LYS 68 -6.517 19.856 -0.749 566 HZ2 LYS 68 HZ2 LYS 68 -5.183 19.354 0.159 567 HZ3 LYS 68 HZ3 LYS 68 -6.622 19.786 0.937 568 H PHE 69 HN PHE 69 -10.434 15.875 3.485 569 HA PHE 69 HA PHE 69 -11.411 18.200 4.851 570 HB2 PHE 69 HB2 PHE 69 -12.626 16.197 2.982 571 HB3 PHE 69 HB1 PHE 69 -13.661 17.289 3.890 572 HD1 PHE 69 HD1 PHE 69 -10.802 17.224 1.537 573 HD2 PHE 69 HD2 PHE 69 -14.059 19.455 3.121 574 HE1 PHE 69 HE1 PHE 69 -10.431 18.959 -0.166 575 HE2 PHE 69 HE2 PHE 69 -13.695 21.198 1.423 576 HZ PHE 69 HZ PHE 69 -11.876 20.953 -0.227 577 H TYR 70 HN TYR 70 -12.107 14.717 5.028 578 HA TYR 70 HA TYR 70 -13.240 15.188 7.709 579 HB2 TYR 70 HB2 TYR 70 -14.017 13.300 5.510 580 HB3 TYR 70 HB1 TYR 70 -14.352 12.864 7.183 581 HD1 TYR 70 HD2 TYR 70 -15.936 14.163 8.515 582 HD2 TYR 70 HD1 TYR 70 -15.229 15.068 4.419 583 HE1 TYR 70 HE2 TYR 70 -17.987 15.515 8.465 584 HE2 TYR 70 HE1 TYR 70 -17.278 16.423 4.358 585 HH TYR 70 HH TYR 70 -19.357 16.652 5.532 586 H MET 1 HT1 MET 1 23.177 7.572 -1.190 587 HA MET 1 HA MET 1 25.283 6.926 -0.348 588 HB2 MET 1 HB2 MET 1 26.702 8.603 0.837 589 HB3 MET 1 HB1 MET 1 26.598 8.866 -0.896 590 HG2 MET 1 HG2 MET 1 25.359 10.785 -0.673 591 HG3 MET 1 HG1 MET 1 24.724 10.320 0.905 592 HE1 MET 1 HE1 MET 1 26.331 10.198 3.106 593 HE2 MET 1 HE2 MET 1 25.372 11.665 2.898 594 HE3 MET 1 HE3 MET 1 27.057 11.777 3.411 595 H PHE 2 HN PHE 2 25.081 5.955 1.559 596 HA PHE 2 HA PHE 2 23.685 7.326 3.732 597 HB2 PHE 2 HB2 PHE 2 22.413 5.412 2.157 598 HB3 PHE 2 HB1 PHE 2 22.922 4.522 3.589 599 HD1 PHE 2 HD1 PHE 2 21.736 8.024 3.154 600 HD2 PHE 2 HD2 PHE 2 21.062 4.215 4.915 601 HE1 PHE 2 HE1 PHE 2 19.813 8.938 4.393 602 HE2 PHE 2 HE2 PHE 2 19.143 5.115 6.154 603 HZ PHE 2 HZ PHE 2 18.516 7.483 5.896 604 H GLN 3 HN GLN 3 25.062 7.321 5.348 605 HA GLN 3 HA GLN 3 26.411 4.838 6.062 606 HB2 GLN 3 HB2 GLN 3 28.445 6.521 6.562 607 HB3 GLN 3 HB1 GLN 3 28.292 5.622 5.063 608 HG2 GLN 3 HG2 GLN 3 28.882 7.934 4.643 609 HG3 GLN 3 HG1 GLN 3 27.292 7.562 3.985 610 HE21 GLN 3 HE21 GLN 3 29.018 9.215 6.524 611 HE22 GLN 3 HE22 GLN 3 27.728 10.271 6.977 612 H ASP 4 HN ASP 4 27.970 5.747 8.094 613 HA ASP 4 HA ASP 4 26.461 5.734 10.334 614 HB2 ASP 4 HB2 ASP 4 28.902 5.520 10.282 615 HB3 ASP 4 HB1 ASP 4 29.057 7.235 9.927 616 HA PRO 5 HA PRO 5 26.080 6.351 12.338 617 HB2 PRO 5 HB2 PRO 5 23.851 6.976 13.701 618 HB3 PRO 5 HB1 PRO 5 25.363 7.882 13.915 619 HG2 PRO 5 HG2 PRO 5 22.945 8.602 12.331 620 HG3 PRO 5 HG1 PRO 5 23.961 9.618 13.372 621 HD2 PRO 5 HD2 PRO 5 24.167 9.546 10.644 622 HD3 PRO 5 HD1 PRO 5 25.493 9.998 11.732 623 H GLN 6 HN GLN 6 24.073 6.872 9.740 624 HA GLN 6 HA GLN 6 22.003 4.987 10.305 625 HB2 GLN 6 HB2 GLN 6 22.965 6.283 7.759 626 HB3 GLN 6 HB1 GLN 6 21.696 5.069 7.760 627 HG2 GLN 6 HG2 GLN 6 20.555 7.090 7.764 628 HG3 GLN 6 HG1 GLN 6 20.498 6.557 9.441 629 HE21 GLN 6 HE21 GLN 6 23.357 7.934 7.950 630 HE22 GLN 6 HE22 GLN 6 23.334 9.412 8.849 631 H GLU 7 HN GLU 7 22.419 2.916 10.611 632 HA GLU 7 HA GLU 7 24.736 1.655 9.435 633 HB2 GLU 7 HB2 GLU 7 23.946 1.188 11.773 634 HB3 GLU 7 HB1 GLU 7 22.543 0.389 11.083 635 HG2 GLU 7 HG2 GLU 7 24.332 -1.159 11.801 636 HG3 GLU 7 HG1 GLU 7 23.910 -1.310 10.097 637 H ARG 8 HN ARG 8 21.470 2.115 8.620 638 HA ARG 8 HA ARG 8 20.245 1.500 6.808 639 HB2 ARG 8 HB2 ARG 8 22.734 0.066 5.853 640 HB3 ARG 8 HB1 ARG 8 21.315 0.433 4.881 641 HG2 ARG 8 HG2 ARG 8 21.984 2.521 4.489 642 HG3 ARG 8 HG1 ARG 8 22.478 2.781 6.163 643 HD2 ARG 8 HD2 ARG 8 24.055 1.293 4.064 644 HD3 ARG 8 HD1 ARG 8 24.374 2.937 4.617 645 HE ARG 8 HE ARG 8 24.372 0.921 6.696 646 HH11 ARG 8 HH11 ARG 8 26.279 2.756 4.409 647 HH12 ARG 8 HH12 ARG 8 27.784 2.429 5.207 648 HH21 ARG 8 HH21 ARG 8 26.346 0.523 7.791 649 HH22 ARG 8 HH22 ARG 8 27.816 1.186 7.144 650 HA PRO 9 HA PRO 9 19.320 -2.493 8.841 651 HB2 PRO 9 HB2 PRO 9 16.628 -2.091 8.901 652 HB3 PRO 9 HB1 PRO 9 17.725 -1.431 10.129 653 HG2 PRO 9 HG2 PRO 9 16.480 -0.080 7.792 654 HG3 PRO 9 HG1 PRO 9 16.746 0.520 9.440 655 HD2 PRO 9 HD2 PRO 9 18.338 1.189 7.347 656 HD3 PRO 9 HD1 PRO 9 18.911 1.115 9.025 657 H ARG 10 HN ARG 10 17.558 -4.158 8.202 658 HA ARG 10 HA ARG 10 17.623 -4.354 5.275 659 HB2 ARG 10 HB2 ARG 10 17.755 -6.315 7.488 660 HB3 ARG 10 HB1 ARG 10 16.867 -6.827 6.059 661 HG2 ARG 10 HG2 ARG 10 19.207 -7.529 5.983 662 HG3 ARG 10 HG1 ARG 10 18.815 -6.416 4.672 663 HD2 ARG 10 HD2 ARG 10 19.839 -4.585 5.891 664 HD3 ARG 10 HD1 ARG 10 20.168 -5.653 7.256 665 HE ARG 10 HE ARG 10 21.522 -6.941 5.465 666 HH11 ARG 10 HH11 ARG 10 21.263 -3.452 5.734 667 HH12 ARG 10 HH12 ARG 10 22.814 -3.164 5.016 668 HH21 ARG 10 HH21 ARG 10 23.546 -6.551 4.501 669 HH22 ARG 10 HH22 ARG 10 24.105 -4.921 4.297 670 H LYS 11 HN LYS 11 15.508 -3.433 7.627 671 HA LYS 11 HA LYS 11 13.165 -4.547 6.249 672 HB2 LYS 11 HB2 LYS 11 13.447 -3.216 8.943 673 HB3 LYS 11 HB1 LYS 11 11.901 -3.653 8.235 674 HG2 LYS 11 HG2 LYS 11 14.095 -5.638 8.779 675 HG3 LYS 11 HG1 LYS 11 12.815 -5.251 9.931 676 HD2 LYS 11 HD2 LYS 11 11.183 -5.857 8.052 677 HD3 LYS 11 HD1 LYS 11 12.577 -6.577 7.238 678 HE2 LYS 11 HE2 LYS 11 12.961 -7.867 9.404 679 HE3 LYS 11 HE1 LYS 11 11.350 -7.335 9.882 680 HZ1 LYS 11 HZ1 LYS 11 10.435 -8.427 7.927 681 HZ2 LYS 11 HZ2 LYS 11 11.312 -9.534 8.863 682 HZ3 LYS 11 HZ3 LYS 11 11.988 -8.912 7.447 683 H LEU 12 HN LEU 12 11.758 -3.257 5.167 684 HA LEU 12 HA LEU 12 12.602 -0.791 4.188 685 HB2 LEU 12 HB2 LEU 12 10.939 -2.354 3.132 686 HB3 LEU 12 HB1 LEU 12 9.742 -1.723 4.245 687 HG LEU 12 HG LEU 12 10.371 0.591 3.268 688 HD11 LEU 12 HD11 LEU 12 11.360 -1.217 1.069 689 HD12 LEU 12 HD12 LEU 12 12.356 -0.144 2.054 690 HD13 LEU 12 HD13 LEU 12 11.148 0.529 0.957 691 HD21 LEU 12 HD21 LEU 12 8.759 0.285 1.443 692 HD22 LEU 12 HD22 LEU 12 8.219 -0.454 2.948 693 HD23 LEU 12 HD23 LEU 12 8.869 -1.460 1.655 694 HA PRO 13 HA PRO 13 9.316 1.371 7.136 695 HB2 PRO 13 HB2 PRO 13 9.068 -0.016 9.543 696 HB3 PRO 13 HB1 PRO 13 7.862 0.004 8.245 697 HG2 PRO 13 HG2 PRO 13 9.916 -2.046 8.874 698 HG3 PRO 13 HG1 PRO 13 8.252 -2.250 8.292 699 HD2 PRO 13 HD2 PRO 13 10.333 -2.534 6.641 700 HD3 PRO 13 HD1 PRO 13 8.816 -1.787 6.098 701 H GLN 14 HN GLN 14 11.932 -0.601 8.426 702 HA GLN 14 HA GLN 14 12.759 1.221 10.440 703 HB2 GLN 14 HB2 GLN 14 13.397 -1.384 9.639 704 HB3 GLN 14 HB1 GLN 14 14.886 -0.473 9.460 705 HG2 GLN 14 HG2 GLN 14 14.793 0.210 11.765 706 HG3 GLN 14 HG1 GLN 14 13.223 -0.567 11.962 707 HE21 GLN 14 HE21 GLN 14 15.679 -1.040 13.409 708 HE22 GLN 14 HE22 GLN 14 16.066 -2.713 13.185 709 H LEU 15 HN LEU 15 13.625 0.727 7.066 710 HA LEU 15 HA LEU 15 15.884 2.421 7.018 711 HB2 LEU 15 HB2 LEU 15 15.261 0.748 5.261 712 HB3 LEU 15 HB1 LEU 15 13.994 1.840 4.738 713 HG LEU 15 HG LEU 15 15.818 3.561 4.321 714 HD11 LEU 15 HD11 LEU 15 17.576 2.557 5.654 715 HD12 LEU 15 HD12 LEU 15 18.078 2.664 3.966 716 HD13 LEU 15 HD13 LEU 15 17.555 1.118 4.634 717 HD21 LEU 15 HD21 LEU 15 16.380 2.622 2.154 718 HD22 LEU 15 HD22 LEU 15 14.689 2.298 2.539 719 HD23 LEU 15 HD23 LEU 15 15.893 1.018 2.701 720 H CYS 16 HN CYS 16 12.451 2.982 6.693 721 HA CYS 16 HA CYS 16 12.512 5.615 5.723 722 HB2 CYS 16 HB2 CYS 16 10.432 4.422 7.565 723 HB3 CYS 16 HB1 CYS 16 10.219 5.778 6.464 724 HG CYS 16 HG CYS 16 11.002 2.660 5.295 725 H THR 17 HN THR 17 12.850 4.275 8.937 726 HA THR 17 HA THR 17 12.627 6.715 10.369 727 HB THR 17 HB THR 17 14.341 4.537 11.442 728 HG1 THR 17 HG1 THR 17 11.554 4.133 11.449 729 HG21 THR 17 HG21 THR 17 11.983 6.065 12.559 730 HG22 THR 17 HG22 THR 17 13.679 6.475 12.807 731 HG23 THR 17 HG23 THR 17 13.032 4.971 13.460 732 H GLU 18 HN GLU 18 15.356 4.860 9.094 733 HA GLU 18 HA GLU 18 17.403 6.548 10.056 734 HB2 GLU 18 HB2 GLU 18 17.380 4.721 7.646 735 HB3 GLU 18 HB1 GLU 18 18.819 5.433 8.362 736 HG2 GLU 18 HG2 GLU 18 17.206 3.994 10.299 737 HG3 GLU 18 HG1 GLU 18 17.741 2.978 8.961 738 H LEU 19 HN LEU 19 15.510 6.514 7.088 739 HA LEU 19 HA LEU 19 16.973 8.657 5.858 740 HB2 LEU 19 HB2 LEU 19 15.293 6.722 4.928 741 HB3 LEU 19 HB1 LEU 19 14.244 8.124 4.908 742 HG LEU 19 HG LEU 19 16.577 9.047 3.730 743 HD11 LEU 19 HD11 LEU 19 15.976 6.280 2.696 744 HD12 LEU 19 HD12 LEU 19 17.414 6.745 3.605 745 HD13 LEU 19 HD13 LEU 19 17.123 7.431 2.007 746 HD21 LEU 19 HD21 LEU 19 14.326 9.612 3.035 747 HD22 LEU 19 HD22 LEU 19 14.069 7.966 2.451 748 HD23 LEU 19 HD23 LEU 19 15.251 9.009 1.659 749 H GLN 20 HN GLN 20 14.794 8.569 8.348 750 HA GLN 20 HA GLN 20 13.574 10.100 9.485 751 HB2 GLN 20 HB2 GLN 20 15.549 11.804 8.029 752 HB3 GLN 20 HB1 GLN 20 14.268 12.574 8.955 753 HG2 GLN 20 HG2 GLN 20 16.312 10.634 10.019 754 HG3 GLN 20 HG1 GLN 20 16.300 12.380 10.257 755 HE21 GLN 20 HE21 GLN 20 14.896 9.353 11.168 756 HE22 GLN 20 HE22 GLN 20 13.992 9.954 12.516 757 H THR 21 HN THR 21 12.227 9.078 7.314 758 HA THR 21 HA THR 21 10.403 11.268 6.787 759 HB THR 21 HB THR 21 12.049 11.250 4.876 760 HG1 THR 21 HG1 THR 21 10.403 11.567 3.365 761 HG21 THR 21 HG21 THR 21 12.427 8.875 4.644 762 HG22 THR 21 HG22 THR 21 11.719 9.495 3.153 763 HG23 THR 21 HG23 THR 21 10.721 8.602 4.299 764 H THR 22 HN THR 22 8.555 10.228 5.244 765 HA THR 22 HA THR 22 7.703 7.845 6.731 766 HB THR 22 HB THR 22 5.442 8.354 5.829 767 HG1 THR 22 HG1 THR 22 6.320 10.894 5.014 768 HG21 THR 22 HG21 THR 22 5.061 10.406 7.156 769 HG22 THR 22 HG22 THR 22 6.806 10.632 7.270 770 HG23 THR 22 HG23 THR 22 6.051 9.224 8.012 771 H ILE 23 HN ILE 23 6.188 6.396 5.345 772 HA ILE 23 HA ILE 23 7.778 5.379 3.176 773 HB ILE 23 HB ILE 23 5.041 4.309 3.655 774 HG12 ILE 23 HG12 ILE 23 7.326 3.907 5.604 775 HG13 ILE 23 HG11 ILE 23 5.859 4.821 5.935 776 HG21 ILE 23 HG21 ILE 23 6.150 2.186 3.297 777 HG22 ILE 23 HG22 ILE 23 7.727 2.976 3.339 778 HG23 ILE 23 HG23 ILE 23 6.606 3.317 2.020 779 HD11 ILE 23 HD11 ILE 23 6.022 1.871 5.366 780 HD12 ILE 23 HD12 ILE 23 4.539 2.778 5.669 781 HD13 ILE 23 HD13 ILE 23 5.755 2.625 6.938 782 H HIS 24 HN HIS 24 5.779 7.897 3.317 783 HA HIS 24 HA HIS 24 4.529 7.444 0.699 784 HB2 HIS 24 HB2 HIS 24 3.946 9.853 2.380 785 HB3 HIS 24 HB1 HIS 24 2.902 9.018 1.241 786 HD1 HIS 24 HD1 HIS 24 1.899 6.645 2.160 787 HD2 HIS 24 HD2 HIS 24 3.594 9.197 4.971 788 HE1 HIS 24 HE1 HIS 24 1.072 5.870 4.420 789 H ASP 25 HN ASP 25 7.346 8.450 1.737 790 HA ASP 25 HA ASP 25 7.556 10.568 -0.289 791 HB2 ASP 25 HB2 ASP 25 7.533 11.618 1.915 792 HB3 ASP 25 HB1 ASP 25 8.844 10.572 2.447 793 H ILE 26 HN ILE 26 9.106 7.914 1.418 794 HA ILE 26 HA ILE 26 11.583 8.203 0.002 795 HB ILE 26 HB ILE 26 11.632 7.240 2.214 796 HG12 ILE 26 HG12 ILE 26 12.303 5.115 0.172 797 HG13 ILE 26 HG11 ILE 26 13.314 6.509 0.538 798 HG21 ILE 26 HG21 ILE 26 10.672 5.048 2.712 799 HG22 ILE 26 HG22 ILE 26 9.964 4.993 1.097 800 HG23 ILE 26 HG23 ILE 26 9.432 6.215 2.250 801 HD11 ILE 26 HD11 ILE 26 14.125 4.519 1.658 802 HD12 ILE 26 HD12 ILE 26 12.565 4.312 2.456 803 HD13 ILE 26 HD13 ILE 26 13.573 5.710 2.835 804 H ILE 27 HN ILE 27 12.085 7.482 -1.948 805 HA ILE 27 HA ILE 27 10.337 5.474 -3.211 806 HB ILE 27 HB ILE 27 11.947 7.648 -4.564 807 HG12 ILE 27 HG12 ILE 27 9.963 8.520 -3.392 808 HG13 ILE 27 HG11 ILE 27 9.788 8.645 -5.138 809 HG21 ILE 27 HG21 ILE 27 10.816 6.927 -6.620 810 HG22 ILE 27 HG22 ILE 27 10.072 5.597 -5.730 811 HG23 ILE 27 HG23 ILE 27 11.824 5.653 -5.933 812 HD11 ILE 27 HD11 ILE 27 8.390 6.618 -5.110 813 HD12 ILE 27 HD12 ILE 27 7.715 7.936 -4.154 814 HD13 ILE 27 HD13 ILE 27 8.515 6.586 -3.351 815 H LEU 28 HN LEU 28 11.269 3.605 -3.797 816 HA LEU 28 HA LEU 28 14.211 3.491 -3.851 817 HB2 LEU 28 HB2 LEU 28 12.345 1.992 -2.330 818 HB3 LEU 28 HB1 LEU 28 13.051 0.898 -3.504 819 HG LEU 28 HG LEU 28 15.314 1.577 -2.706 820 HD11 LEU 28 HD11 LEU 28 13.797 2.955 -0.497 821 HD12 LEU 28 HD12 LEU 28 14.661 3.777 -1.797 822 HD13 LEU 28 HD13 LEU 28 15.548 2.789 -0.634 823 HD21 LEU 28 HD21 LEU 28 14.344 -0.462 -1.888 824 HD22 LEU 28 HD22 LEU 28 13.411 0.419 -0.678 825 HD23 LEU 28 HD23 LEU 28 15.170 0.352 -0.557 826 H GLU 29 HN GLU 29 15.117 1.808 -5.290 827 HA GLU 29 HA GLU 29 13.495 1.574 -7.734 828 HB2 GLU 29 HB2 GLU 29 16.505 1.629 -7.446 829 HB3 GLU 29 HB1 GLU 29 15.625 1.505 -8.963 830 HG2 GLU 29 HG2 GLU 29 14.764 3.710 -8.735 831 HG3 GLU 29 HG1 GLU 29 15.358 3.833 -7.081 832 H CYS 30 HN CYS 30 13.780 -0.355 -9.019 833 HA CYS 30 HA CYS 30 13.766 -2.735 -7.465 834 HB2 CYS 30 HB2 CYS 30 12.432 -2.473 -9.534 835 HB3 CYS 30 HB1 CYS 30 13.916 -2.405 -10.476 836 H VAL 31 HN VAL 31 15.278 -4.282 -7.207 837 HA VAL 31 HA VAL 31 18.012 -3.547 -7.574 838 HB VAL 31 HB VAL 31 17.367 -4.804 -5.609 839 HG11 VAL 31 HG11 VAL 31 16.659 -7.155 -5.750 840 HG12 VAL 31 HG12 VAL 31 16.558 -6.998 -7.503 841 HG13 VAL 31 HG13 VAL 31 15.492 -6.046 -6.470 842 HG21 VAL 31 HG21 VAL 31 19.142 -6.387 -7.455 843 HG22 VAL 31 HG22 VAL 31 18.994 -6.674 -5.721 844 HG23 VAL 31 HG23 VAL 31 19.632 -5.139 -6.310 845 H TYR 32 HN TYR 32 15.723 -5.344 -9.446 846 HA TYR 32 HA TYR 32 17.880 -6.486 -11.079 847 HB2 TYR 32 HB2 TYR 32 14.924 -7.128 -11.147 848 HB3 TYR 32 HB1 TYR 32 16.192 -7.954 -12.046 849 HD1 TYR 32 HD2 TYR 32 18.127 -8.958 -10.547 850 HD2 TYR 32 HD1 TYR 32 14.213 -8.048 -9.154 851 HE1 TYR 32 HE2 TYR 32 18.435 -10.522 -8.674 852 HE2 TYR 32 HE1 TYR 32 14.509 -9.609 -7.278 853 HH TYR 32 HH TYR 32 15.799 -11.249 -6.433 854 H CYS 33 HN CYS 33 14.680 -4.992 -11.607 855 HA CYS 33 HA CYS 33 15.253 -4.349 -14.323 856 HB2 CYS 33 HB2 CYS 33 13.117 -2.945 -12.772 857 HB3 CYS 33 HB1 CYS 33 13.082 -3.550 -14.426 858 H LYS 34 HN LYS 34 15.867 -2.802 -11.321 859 HA LYS 34 HA LYS 34 16.893 -0.866 -10.737 860 HB2 LYS 34 HB2 LYS 34 17.628 -0.833 -13.670 861 HB3 LYS 34 HB1 LYS 34 18.241 0.324 -12.496 862 HG2 LYS 34 HG2 LYS 34 19.359 -1.399 -11.274 863 HG3 LYS 34 HG1 LYS 34 18.603 -2.653 -12.258 864 HD2 LYS 34 HD2 LYS 34 19.771 -1.691 -14.247 865 HD3 LYS 34 HD1 LYS 34 20.624 -0.602 -13.153 866 HE2 LYS 34 HE2 LYS 34 21.651 -2.441 -12.019 867 HE3 LYS 34 HE1 LYS 34 20.684 -3.606 -12.920 868 HZ1 LYS 34 HZ1 LYS 34 22.834 -3.539 -13.882 869 HZ2 LYS 34 HZ2 LYS 34 22.828 -1.852 -13.978 870 HZ3 LYS 34 HZ3 LYS 34 21.797 -2.757 -14.964 871 H GLN 35 HN GLN 35 14.093 -0.985 -11.934 872 HA GLN 35 HA GLN 35 13.743 1.751 -12.877 873 HB2 GLN 35 HB2 GLN 35 11.764 -0.514 -12.527 874 HB3 GLN 35 HB1 GLN 35 11.361 1.074 -13.163 875 HG2 GLN 35 HG2 GLN 35 13.070 -1.053 -14.398 876 HG3 GLN 35 HG1 GLN 35 11.605 -0.305 -15.034 877 HE21 GLN 35 HE21 GLN 35 15.015 -0.150 -14.834 878 HE22 GLN 35 HE22 GLN 35 15.224 1.299 -15.761 879 H GLN 36 HN GLN 36 12.104 3.141 -11.875 880 HA GLN 36 HA GLN 36 12.434 3.189 -9.026 881 HB2 GLN 36 HB2 GLN 36 10.737 4.952 -10.797 882 HB3 GLN 36 HB1 GLN 36 11.154 5.272 -9.120 883 HG2 GLN 36 HG2 GLN 36 13.540 5.373 -9.785 884 HG3 GLN 36 HG1 GLN 36 13.037 5.180 -11.465 885 HE21 GLN 36 HE21 GLN 36 13.072 7.295 -8.709 886 HE22 GLN 36 HE22 GLN 36 12.616 8.732 -9.553 887 H LEU 37 HN LEU 37 11.057 2.554 -7.491 888 HA LEU 37 HA LEU 37 8.531 1.350 -8.341 889 HB2 LEU 37 HB2 LEU 37 10.372 0.997 -6.047 890 HB3 LEU 37 HB1 LEU 37 8.665 0.813 -5.698 891 HG LEU 37 HG LEU 37 8.613 -0.869 -7.627 892 HD11 LEU 37 HD11 LEU 37 10.713 -0.322 -8.669 893 HD12 LEU 37 HD12 LEU 37 10.774 -1.978 -8.066 894 HD13 LEU 37 HD13 LEU 37 11.588 -0.687 -7.181 895 HD21 LEU 37 HD21 LEU 37 8.381 -1.620 -5.383 896 HD22 LEU 37 HD22 LEU 37 10.097 -1.384 -5.058 897 HD23 LEU 37 HD23 LEU 37 9.575 -2.663 -6.156 898 H LEU 38 HN LEU 38 6.836 2.681 -8.325 899 HA LEU 38 HA LEU 38 6.735 5.090 -6.834 900 HB2 LEU 38 HB2 LEU 38 4.445 3.579 -8.103 901 HB3 LEU 38 HB1 LEU 38 4.424 5.259 -7.600 902 HG LEU 38 HG LEU 38 6.076 4.088 -9.839 903 HD11 LEU 38 HD11 LEU 38 3.741 5.995 -9.872 904 HD12 LEU 38 HD12 LEU 38 3.699 4.302 -10.362 905 HD13 LEU 38 HD13 LEU 38 4.666 5.459 -11.276 906 HD21 LEU 38 HD21 LEU 38 6.676 6.438 -10.313 907 HD22 LEU 38 HD22 LEU 38 7.319 5.860 -8.777 908 HD23 LEU 38 HD23 LEU 38 5.903 6.911 -8.799 909 H ARG 39 HN ARG 39 4.922 5.574 -5.253 910 HA ARG 39 HA ARG 39 5.216 4.043 -2.965 911 HB2 ARG 39 HB2 ARG 39 3.721 5.474 -1.918 912 HB3 ARG 39 HB1 ARG 39 4.311 6.451 -3.251 913 HG2 ARG 39 HG2 ARG 39 2.287 6.027 -4.505 914 HG3 ARG 39 HG1 ARG 39 1.697 4.942 -3.241 915 HD2 ARG 39 HD2 ARG 39 2.065 7.040 -1.710 916 HD3 ARG 39 HD1 ARG 39 1.966 7.921 -3.232 917 HE ARG 39 HE ARG 39 -0.259 6.731 -3.496 918 HH11 ARG 39 HH11 ARG 39 1.077 7.536 -0.359 919 HH12 ARG 39 HH12 ARG 39 -0.479 7.594 0.421 920 HH21 ARG 39 HH21 ARG 39 -2.291 6.816 -2.470 921 HH22 ARG 39 HH22 ARG 39 -2.367 7.189 -0.767 922 H ARG 40 HN ARG 40 3.160 3.485 -5.639 923 HA ARG 40 HA ARG 40 1.090 1.982 -4.511 924 HB2 ARG 40 HB2 ARG 40 1.187 2.803 -6.858 925 HB3 ARG 40 HB1 ARG 40 2.421 1.600 -7.201 926 HG2 ARG 40 HG2 ARG 40 0.744 -0.150 -6.524 927 HG3 ARG 40 HG1 ARG 40 -0.466 1.137 -6.515 928 HD2 ARG 40 HD2 ARG 40 -0.689 0.303 -8.656 929 HD3 ARG 40 HD1 ARG 40 0.439 1.633 -8.906 930 HE ARG 40 HE ARG 40 1.846 -0.776 -8.378 931 HH11 ARG 40 HH11 ARG 40 0.065 0.899 -10.888 932 HH12 ARG 40 HH12 ARG 40 0.824 0.038 -12.185 933 HH21 ARG 40 HH21 ARG 40 2.859 -1.921 -10.085 934 HH22 ARG 40 HH22 ARG 40 2.401 -1.575 -11.732 935 H GLU 41 HN GLU 41 4.227 0.935 -5.820 936 HA GLU 41 HA GLU 41 3.771 -1.802 -5.021 937 HB2 GLU 41 HB2 GLU 41 6.392 -0.680 -5.974 938 HB3 GLU 41 HB1 GLU 41 5.778 -2.320 -6.140 939 HG2 GLU 41 HG2 GLU 41 4.648 0.091 -7.547 940 HG3 GLU 41 HG1 GLU 41 5.791 -1.044 -8.255 941 H VAL 42 HN VAL 42 5.341 1.019 -3.758 942 HA VAL 42 HA VAL 42 7.126 -0.197 -1.961 943 HB VAL 42 HB VAL 42 5.693 2.455 -1.687 944 HG11 VAL 42 HG11 VAL 42 7.425 3.058 -0.093 945 HG12 VAL 42 HG12 VAL 42 8.159 1.464 -0.261 946 HG13 VAL 42 HG13 VAL 42 6.560 1.625 0.463 947 HG21 VAL 42 HG21 VAL 42 7.796 3.406 -2.528 948 HG22 VAL 42 HG22 VAL 42 7.055 2.323 -3.703 949 HG23 VAL 42 HG23 VAL 42 8.435 1.779 -2.751 950 H TYR 43 HN TYR 43 3.743 0.833 -1.565 951 HA TYR 43 HA TYR 43 3.555 -0.043 1.139 952 HB2 TYR 43 HB2 TYR 43 1.308 0.348 -0.850 953 HB3 TYR 43 HB1 TYR 43 1.142 0.245 0.900 954 HD1 TYR 43 HD1 TYR 43 3.702 1.966 1.412 955 HD2 TYR 43 HD2 TYR 43 0.239 2.490 -1.001 956 HE1 TYR 43 HE1 TYR 43 3.987 4.401 1.542 957 HE2 TYR 43 HE2 TYR 43 0.513 4.926 -0.876 958 HH TYR 43 HH TYR 43 3.362 6.377 0.291 959 H ASP 44 HN ASP 44 3.111 -1.550 -1.964 960 HA ASP 44 HA ASP 44 1.748 -3.872 -1.103 961 HB2 ASP 44 HB2 ASP 44 2.230 -2.938 -3.511 962 HB3 ASP 44 HB1 ASP 44 3.698 -3.903 -3.387 963 H PHE 45 HN PHE 45 5.115 -2.980 -1.388 964 HA PHE 45 HA PHE 45 6.246 -5.489 -0.687 965 HB2 PHE 45 HB2 PHE 45 7.348 -3.537 -1.902 966 HB3 PHE 45 HB1 PHE 45 7.493 -2.758 -0.334 967 HD1 PHE 45 HD1 PHE 45 8.631 -5.565 -2.415 968 HD2 PHE 45 HD2 PHE 45 9.164 -3.430 1.232 969 HE1 PHE 45 HE1 PHE 45 10.790 -6.691 -2.071 970 HE2 PHE 45 HE2 PHE 45 11.321 -4.557 1.579 971 HZ PHE 45 HZ PHE 45 12.134 -6.186 -0.075 972 H ALA 46 HN ALA 46 5.472 -2.548 1.122 973 HA ALA 46 HA ALA 46 6.503 -3.516 3.609 974 HB1 ALA 46 HB1 ALA 46 6.374 -1.117 3.025 975 HB2 ALA 46 HB2 ALA 46 5.615 -1.499 4.571 976 HB3 ALA 46 HB3 ALA 46 4.616 -1.212 3.145 977 H PHE 47 HN PHE 47 3.443 -3.785 1.997 978 HA PHE 47 HA PHE 47 1.781 -4.207 4.227 979 HB2 PHE 47 HB2 PHE 47 1.482 -4.228 1.433 980 HB3 PHE 47 HB1 PHE 47 0.966 -5.822 1.976 981 HD1 PHE 47 HD2 PHE 47 -0.739 -5.917 3.877 982 HD2 PHE 47 HD1 PHE 47 0.052 -2.411 1.603 983 HE1 PHE 47 HE2 PHE 47 -2.909 -4.988 4.568 984 HE2 PHE 47 HE1 PHE 47 -2.116 -1.470 2.292 985 HZ PHE 47 HZ PHE 47 -3.598 -2.762 3.772 986 H ARG 48 HN ARG 48 3.844 -6.338 2.376 987 HA ARG 48 HA ARG 48 3.044 -8.641 3.978 988 HB2 ARG 48 HB2 ARG 48 5.018 -8.433 1.690 989 HB3 ARG 48 HB1 ARG 48 4.496 -9.925 2.458 990 HG2 ARG 48 HG2 ARG 48 2.257 -9.627 1.629 991 HG3 ARG 48 HG1 ARG 48 2.673 -8.037 0.980 992 HD2 ARG 48 HD2 ARG 48 4.324 -9.111 -0.502 993 HD3 ARG 48 HD1 ARG 48 3.824 -10.688 0.111 994 HE ARG 48 HE ARG 48 1.788 -10.470 -1.039 995 HH11 ARG 48 HH11 ARG 48 3.874 -7.701 -1.528 996 HH12 ARG 48 HH12 ARG 48 3.017 -7.131 -2.934 997 HH21 ARG 48 HH21 ARG 48 0.656 -9.722 -2.896 998 HH22 ARG 48 HH22 ARG 48 1.206 -8.289 -3.712 999 H ASP 49 HN ASP 49 5.937 -9.616 3.452 1000 HA ASP 49 HA ASP 49 7.413 -7.943 5.311 1001 HB2 ASP 49 HB2 ASP 49 6.267 -9.494 6.808 1002 HB3 ASP 49 HB1 ASP 49 6.857 -10.863 5.869 1003 H LEU 50 HN LEU 50 8.674 -7.541 3.486 1004 HA LEU 50 HA LEU 50 10.414 -9.784 2.713 1005 HB2 LEU 50 HB2 LEU 50 9.580 -7.418 1.033 1006 HB3 LEU 50 HB1 LEU 50 10.747 -8.631 0.549 1007 HG LEU 50 HG LEU 50 8.584 -10.190 1.111 1008 HD11 LEU 50 HD11 LEU 50 7.521 -7.641 -0.100 1009 HD12 LEU 50 HD12 LEU 50 7.165 -8.236 1.523 1010 HD13 LEU 50 HD13 LEU 50 6.629 -9.150 0.112 1011 HD21 LEU 50 HD21 LEU 50 8.265 -10.284 -1.325 1012 HD22 LEU 50 HD22 LEU 50 9.966 -10.360 -0.864 1013 HD23 LEU 50 HD23 LEU 50 9.292 -8.858 -1.499 1014 H CYS 51 HN CYS 51 12.626 -9.274 2.379 1015 HA CYS 51 HA CYS 51 13.496 -7.041 4.042 1016 HB2 CYS 51 HB2 CYS 51 15.710 -8.120 3.952 1017 HB3 CYS 51 HB1 CYS 51 14.468 -9.232 4.516 1018 HG CYS 51 HG CYS 51 14.614 -9.601 1.298 1019 H ILE 52 HN ILE 52 15.216 -5.647 3.330 1020 HA ILE 52 HA ILE 52 14.839 -4.793 0.602 1021 HB ILE 52 HB ILE 52 16.711 -3.734 2.734 1022 HG12 ILE 52 HG12 ILE 52 14.029 -2.686 1.802 1023 HG13 ILE 52 HG11 ILE 52 14.309 -3.551 3.311 1024 HG21 ILE 52 HG21 ILE 52 15.895 -2.559 0.076 1025 HG22 ILE 52 HG22 ILE 52 17.502 -3.128 0.529 1026 HG23 ILE 52 HG23 ILE 52 16.812 -1.711 1.318 1027 HD11 ILE 52 HD11 ILE 52 15.207 -1.753 4.328 1028 HD12 ILE 52 HD12 ILE 52 14.282 -0.877 3.108 1029 HD13 ILE 52 HD13 ILE 52 15.999 -1.183 2.860 1030 H VAL 53 HN VAL 53 16.148 -5.180 -1.083 1031 HA VAL 53 HA VAL 53 18.441 -6.928 -0.663 1032 HB VAL 53 HB VAL 53 17.402 -5.980 -3.331 1033 HG11 VAL 53 HG11 VAL 53 18.367 -8.107 -4.113 1034 HG12 VAL 53 HG12 VAL 53 18.920 -8.442 -2.471 1035 HG13 VAL 53 HG13 VAL 53 19.571 -7.062 -3.356 1036 HG21 VAL 53 HG21 VAL 53 16.395 -8.269 -1.649 1037 HG22 VAL 53 HG22 VAL 53 16.090 -8.120 -3.380 1038 HG23 VAL 53 HG23 VAL 53 15.476 -6.898 -2.265 1039 H TYR 54 HN TYR 54 20.386 -6.050 -0.430 1040 HA TYR 54 HA TYR 54 20.791 -3.300 -1.308 1041 HB2 TYR 54 HB2 TYR 54 22.150 -5.098 0.656 1042 HB3 TYR 54 HB1 TYR 54 23.037 -3.729 -0.007 1043 HD1 TYR 54 HD2 TYR 54 19.875 -4.602 1.747 1044 HD2 TYR 54 HD1 TYR 54 22.773 -1.600 0.922 1045 HE1 TYR 54 HE2 TYR 54 18.790 -3.118 3.377 1046 HE2 TYR 54 HE1 TYR 54 21.694 -0.106 2.551 1047 HH TYR 54 HH TYR 54 19.091 -1.220 4.628 1048 H ARG 55 HN ARG 55 21.489 -3.041 -3.286 1049 HA ARG 55 HA ARG 55 23.320 -4.995 -4.463 1050 HB2 ARG 55 HB2 ARG 55 21.149 -3.658 -5.522 1051 HB3 ARG 55 HB1 ARG 55 22.509 -2.724 -6.125 1052 HG2 ARG 55 HG2 ARG 55 22.181 -5.700 -6.463 1053 HG3 ARG 55 HG1 ARG 55 21.775 -4.491 -7.681 1054 HD2 ARG 55 HD2 ARG 55 24.515 -4.927 -6.496 1055 HD3 ARG 55 HD1 ARG 55 23.978 -5.526 -8.063 1056 HE ARG 55 HE ARG 55 23.526 -2.834 -8.176 1057 HH11 ARG 55 HH11 ARG 55 26.318 -4.840 -7.540 1058 HH12 ARG 55 HH12 ARG 55 27.453 -3.682 -8.154 1059 HH21 ARG 55 HH21 ARG 55 25.012 -1.302 -8.991 1060 HH22 ARG 55 HH22 ARG 55 26.708 -1.667 -8.986 1061 H ASP 56 HN ASP 56 25.399 -4.613 -4.215 1062 HA ASP 56 HA ASP 56 27.413 -3.585 -4.198 1063 HB2 ASP 56 HB2 ASP 56 27.042 -2.341 -6.141 1064 HB3 ASP 56 HB1 ASP 56 25.780 -1.367 -5.393 1065 H GLY 57 HN GLY 57 25.292 -0.894 -3.220 1066 HA2 GLY 57 HA2 GLY 57 25.898 -1.208 -0.450 1067 HA3 GLY 57 HA1 GLY 57 26.853 0.077 -1.176 1068 H ASN 58 HN ASN 58 23.706 -0.573 -2.442 1069 HA ASN 58 HA ASN 58 22.600 1.683 -0.934 1070 HB2 ASN 58 HB2 ASN 58 23.319 1.799 -3.644 1071 HB3 ASN 58 HB1 ASN 58 21.566 1.630 -3.635 1072 HD21 ASN 58 HD21 ASN 58 21.272 3.729 -4.390 1073 HD22 ASN 58 HD22 ASN 58 21.531 5.112 -3.380 1074 HA PRO 59 HA PRO 59 19.205 -1.084 -0.359 1075 HB2 PRO 59 HB2 PRO 59 17.428 1.232 -0.068 1076 HB3 PRO 59 HB1 PRO 59 17.947 0.055 1.152 1077 HG2 PRO 59 HG2 PRO 59 18.764 2.613 1.177 1078 HG3 PRO 59 HG1 PRO 59 19.765 1.273 1.766 1079 HD2 PRO 59 HD2 PRO 59 19.926 2.743 -0.827 1080 HD3 PRO 59 HD1 PRO 59 21.229 2.153 0.223 1081 H TYR 60 HN TYR 60 18.187 -2.151 -1.913 1082 HA TYR 60 HA TYR 60 16.701 -0.625 -3.946 1083 HB2 TYR 60 HB2 TYR 60 18.443 -3.053 -4.232 1084 HB3 TYR 60 HB1 TYR 60 17.100 -2.809 -5.341 1085 HD1 TYR 60 HD2 TYR 60 20.323 -1.443 -4.181 1086 HD2 TYR 60 HD1 TYR 60 17.224 -1.183 -7.081 1087 HE1 TYR 60 HE2 TYR 60 21.750 -0.007 -5.570 1088 HE2 TYR 60 HE1 TYR 60 18.646 0.250 -8.485 1089 HH TYR 60 HH TYR 60 20.677 1.870 -8.004 1090 H ALA 61 HN ALA 61 14.761 -1.661 -4.721 1091 HA ALA 61 HA ALA 61 13.628 -3.494 -2.709 1092 HB1 ALA 61 HB1 ALA 61 12.549 -1.335 -2.639 1093 HB2 ALA 61 HB2 ALA 61 11.428 -2.526 -3.296 1094 HB3 ALA 61 HB3 ALA 61 12.245 -1.392 -4.374 1095 H VAL 62 HN VAL 62 11.533 -4.528 -3.755 1096 HA VAL 62 HA VAL 62 12.335 -5.721 -6.325 1097 HB VAL 62 HB VAL 62 10.740 -7.078 -4.144 1098 HG11 VAL 62 HG11 VAL 62 11.071 -9.092 -5.408 1099 HG12 VAL 62 HG12 VAL 62 12.078 -8.240 -6.579 1100 HG13 VAL 62 HG13 VAL 62 10.358 -7.865 -6.455 1101 HG21 VAL 62 HG21 VAL 62 13.018 -6.681 -3.355 1102 HG22 VAL 62 HG22 VAL 62 13.660 -7.435 -4.816 1103 HG23 VAL 62 HG23 VAL 62 12.739 -8.397 -3.659 1104 H CYS 63 HN CYS 63 10.923 -5.332 -7.923 1105 HA CYS 63 HA CYS 63 8.425 -4.040 -7.364 1106 HB2 CYS 63 HB2 CYS 63 8.173 -4.178 -9.888 1107 HB3 CYS 63 HB1 CYS 63 9.569 -3.281 -9.298 1108 H ASP 64 HN ASP 64 6.459 -4.817 -8.637 1109 HA ASP 64 HA ASP 64 5.513 -7.199 -7.557 1110 HB2 ASP 64 HB2 ASP 64 4.015 -5.440 -8.303 1111 HB3 ASP 64 HB1 ASP 64 4.550 -5.640 -9.965 1112 H LYS 65 HN LYS 65 7.175 -6.578 -10.558 1113 HA LYS 65 HA LYS 65 6.555 -9.043 -11.837 1114 HB2 LYS 65 HB2 LYS 65 8.948 -7.268 -12.327 1115 HB3 LYS 65 HB1 LYS 65 8.269 -8.454 -13.432 1116 HG2 LYS 65 HG2 LYS 65 7.093 -6.809 -14.335 1117 HG3 LYS 65 HG1 LYS 65 6.157 -6.737 -12.840 1118 HD2 LYS 65 HD2 LYS 65 6.975 -4.533 -13.311 1119 HD3 LYS 65 HD1 LYS 65 7.883 -5.166 -11.935 1120 HE2 LYS 65 HE2 LYS 65 9.540 -5.968 -13.806 1121 HE3 LYS 65 HE1 LYS 65 8.768 -4.690 -14.743 1122 HZ1 LYS 65 HZ1 LYS 65 10.812 -4.043 -13.475 1123 HZ2 LYS 65 HZ2 LYS 65 9.918 -4.236 -12.051 1124 HZ3 LYS 65 HZ3 LYS 65 9.452 -3.075 -13.195 1125 H CYS 66 HN CYS 66 9.538 -7.875 -10.278 1126 HA CYS 66 HA CYS 66 10.836 -10.389 -10.399 1127 HB2 CYS 66 HB2 CYS 66 11.479 -8.042 -8.613 1128 HB3 CYS 66 HB1 CYS 66 12.569 -9.345 -9.079 1129 H LEU 67 HN LEU 67 8.536 -9.093 -8.226 1130 HA LEU 67 HA LEU 67 9.135 -10.258 -5.807 1131 HB2 LEU 67 HB2 LEU 67 6.955 -8.965 -6.954 1132 HB3 LEU 67 HB1 LEU 67 6.317 -10.510 -6.429 1133 HG LEU 67 HG LEU 67 7.969 -8.994 -4.479 1134 HD11 LEU 67 HD11 LEU 67 5.150 -8.227 -5.225 1135 HD12 LEU 67 HD12 LEU 67 6.595 -7.231 -5.407 1136 HD13 LEU 67 HD13 LEU 67 6.019 -7.662 -3.796 1137 HD21 LEU 67 HD21 LEU 67 7.029 -11.191 -3.930 1138 HD22 LEU 67 HD22 LEU 67 5.408 -10.572 -4.237 1139 HD23 LEU 67 HD23 LEU 67 6.362 -9.922 -2.904 1140 H LYS 68 HN LYS 68 7.320 -11.726 -8.489 1141 HA LYS 68 HA LYS 68 7.121 -14.277 -7.137 1142 HB2 LYS 68 HB2 LYS 68 6.008 -15.039 -9.213 1143 HB3 LYS 68 HB1 LYS 68 5.261 -13.611 -8.516 1144 HG2 LYS 68 HG2 LYS 68 6.595 -12.252 -10.146 1145 HG3 LYS 68 HG1 LYS 68 7.036 -13.772 -10.923 1146 HD2 LYS 68 HD2 LYS 68 4.625 -14.278 -11.194 1147 HD3 LYS 68 HD1 LYS 68 4.255 -12.676 -10.549 1148 HE2 LYS 68 HE2 LYS 68 5.524 -11.661 -12.381 1149 HE3 LYS 68 HE1 LYS 68 5.871 -13.267 -13.025 1150 HZ1 LYS 68 HZ1 LYS 68 3.373 -13.554 -13.109 1151 HZ2 LYS 68 HZ2 LYS 68 4.048 -12.490 -14.233 1152 HZ3 LYS 68 HZ3 LYS 68 3.264 -11.880 -12.864 1153 H PHE 69 HN PHE 69 9.486 -12.753 -8.954 1154 HA PHE 69 HA PHE 69 10.463 -14.994 -10.435 1155 HB2 PHE 69 HB2 PHE 69 11.372 -12.226 -9.872 1156 HB3 PHE 69 HB1 PHE 69 12.610 -13.388 -10.322 1157 HD1 PHE 69 HD1 PHE 69 9.122 -12.732 -11.495 1158 HD2 PHE 69 HD2 PHE 69 13.235 -13.154 -12.510 1159 HE1 PHE 69 HE1 PHE 69 8.569 -12.380 -13.868 1160 HE2 PHE 69 HE2 PHE 69 12.686 -12.806 -14.882 1161 HZ PHE 69 HZ PHE 69 10.354 -12.422 -15.567 1162 H TYR 70 HN TYR 70 11.562 -13.367 -7.463 1163 HA TYR 70 HA TYR 70 13.035 -15.832 -6.794 1164 HB2 TYR 70 HB2 TYR 70 13.884 -12.965 -6.405 1165 HB3 TYR 70 HB1 TYR 70 14.648 -14.308 -5.563 1166 HD1 TYR 70 HD1 TYR 70 14.218 -12.627 -8.777 1167 HD2 TYR 70 HD2 TYR 70 16.072 -15.876 -6.751 1168 HE1 TYR 70 HE1 TYR 70 15.728 -12.943 -10.687 1169 HE2 TYR 70 HE2 TYR 70 17.590 -16.204 -8.660 1170 HH TYR 70 HH TYR 70 17.853 -13.908 -11.218 Start of MODEL 7 1 H MET 1 HT1 MET 1 -25.450 -1.648 -4.953 2 HA MET 1 HA MET 1 -25.007 -1.103 -2.563 3 HB2 MET 1 HB2 MET 1 -27.163 -1.843 -1.856 4 HB3 MET 1 HB1 MET 1 -27.276 -1.527 -3.581 5 HG2 MET 1 HG2 MET 1 -26.866 -4.023 -3.889 6 HG3 MET 1 HG1 MET 1 -27.197 -4.168 -2.166 7 HE1 MET 1 HE1 MET 1 -30.886 -2.730 -2.016 8 HE2 MET 1 HE2 MET 1 -29.410 -1.770 -1.904 9 HE3 MET 1 HE3 MET 1 -29.522 -3.317 -1.065 10 H PHE 2 HN PHE 2 -24.725 -1.918 -0.465 11 HA PHE 2 HA PHE 2 -23.758 -4.695 -0.334 12 HB2 PHE 2 HB2 PHE 2 -22.133 -2.501 -0.138 13 HB3 PHE 2 HB1 PHE 2 -22.523 -2.803 1.552 14 HD1 PHE 2 HD1 PHE 2 -21.555 -4.759 -1.477 15 HD2 PHE 2 HD2 PHE 2 -21.083 -4.158 2.710 16 HE1 PHE 2 HE1 PHE 2 -19.866 -6.545 -1.409 17 HE2 PHE 2 HE2 PHE 2 -19.395 -5.942 2.778 18 HZ PHE 2 HZ PHE 2 -18.784 -7.135 0.718 19 H GLN 3 HN GLN 3 -25.521 -5.574 0.623 20 HA GLN 3 HA GLN 3 -26.173 -4.593 3.316 21 HB2 GLN 3 HB2 GLN 3 -28.553 -5.621 2.588 22 HB3 GLN 3 HB1 GLN 3 -28.146 -3.924 2.408 23 HG2 GLN 3 HG2 GLN 3 -29.211 -4.758 0.407 24 HG3 GLN 3 HG1 GLN 3 -27.538 -4.317 0.072 25 HE21 GLN 3 HE21 GLN 3 -29.792 -6.940 0.450 26 HE22 GLN 3 HE22 GLN 3 -28.813 -8.149 -0.304 27 H ASP 4 HN ASP 4 -28.028 -6.536 3.960 28 HA ASP 4 HA ASP 4 -26.564 -8.615 4.970 29 HB2 ASP 4 HB2 ASP 4 -28.640 -8.445 5.930 30 HB3 ASP 4 HB1 ASP 4 -29.445 -8.149 4.398 31 HA PRO 5 HA PRO 5 -26.610 -10.728 5.526 32 HB2 PRO 5 HB2 PRO 5 -24.652 -12.736 4.932 33 HB3 PRO 5 HB1 PRO 5 -26.323 -12.970 5.465 34 HG2 PRO 5 HG2 PRO 5 -25.364 -13.686 3.003 35 HG3 PRO 5 HG1 PRO 5 -27.068 -13.384 3.384 36 HD2 PRO 5 HD2 PRO 5 -25.088 -11.594 2.050 37 HD3 PRO 5 HD1 PRO 5 -26.816 -11.824 1.710 38 H GLN 6 HN GLN 6 -24.645 -9.225 3.393 39 HA GLN 6 HA GLN 6 -22.111 -9.403 4.656 40 HB2 GLN 6 HB2 GLN 6 -23.337 -7.458 2.720 41 HB3 GLN 6 HB1 GLN 6 -21.759 -7.143 3.425 42 HG2 GLN 6 HG2 GLN 6 -21.361 -8.158 1.343 43 HG3 GLN 6 HG1 GLN 6 -21.038 -9.389 2.560 44 HE21 GLN 6 HE21 GLN 6 -24.219 -8.355 1.441 45 HE22 GLN 6 HE22 GLN 6 -24.641 -9.864 0.710 46 H GLU 7 HN GLU 7 -21.251 -8.294 6.307 47 HA GLU 7 HA GLU 7 -23.095 -6.861 8.019 48 HB2 GLU 7 HB2 GLU 7 -21.561 -8.499 8.988 49 HB3 GLU 7 HB1 GLU 7 -20.183 -7.585 8.389 50 HG2 GLU 7 HG2 GLU 7 -20.455 -7.161 10.731 51 HG3 GLU 7 HG1 GLU 7 -20.848 -5.698 9.830 52 H ARG 8 HN ARG 8 -20.641 -6.112 5.728 53 HA ARG 8 HA ARG 8 -19.813 -4.141 4.936 54 HB2 ARG 8 HB2 ARG 8 -21.886 -2.691 6.585 55 HB3 ARG 8 HB1 ARG 8 -21.082 -2.125 5.130 56 HG2 ARG 8 HG2 ARG 8 -22.566 -3.117 3.788 57 HG3 ARG 8 HG1 ARG 8 -22.590 -4.597 4.749 58 HD2 ARG 8 HD2 ARG 8 -24.062 -2.034 5.358 59 HD3 ARG 8 HD1 ARG 8 -24.774 -3.539 4.774 60 HE ARG 8 HE ARG 8 -23.336 -3.962 7.184 61 HH11 ARG 8 HH11 ARG 8 -26.327 -2.598 5.981 62 HH12 ARG 8 HH12 ARG 8 -27.209 -2.942 7.436 63 HH21 ARG 8 HH21 ARG 8 -24.489 -4.416 9.092 64 HH22 ARG 8 HH22 ARG 8 -26.167 -3.982 9.202 65 HA PRO 9 HA PRO 9 -17.578 -3.774 9.000 66 HB2 PRO 9 HB2 PRO 9 -15.109 -4.195 7.887 67 HB3 PRO 9 HB1 PRO 9 -16.153 -5.495 8.492 68 HG2 PRO 9 HG2 PRO 9 -15.728 -4.569 5.701 69 HG3 PRO 9 HG1 PRO 9 -15.894 -6.217 6.334 70 HD2 PRO 9 HD2 PRO 9 -17.917 -4.946 5.097 71 HD3 PRO 9 HD1 PRO 9 -18.182 -6.105 6.416 72 H ARG 10 HN ARG 10 -15.996 -2.211 9.661 73 HA ARG 10 HA ARG 10 -16.111 0.191 8.011 74 HB2 ARG 10 HB2 ARG 10 -15.840 -0.384 10.891 75 HB3 ARG 10 HB1 ARG 10 -14.895 0.980 10.314 76 HG2 ARG 10 HG2 ARG 10 -17.069 1.689 11.150 77 HG3 ARG 10 HG1 ARG 10 -16.901 2.022 9.426 78 HD2 ARG 10 HD2 ARG 10 -18.226 0.045 8.900 79 HD3 ARG 10 HD1 ARG 10 -18.348 -0.346 10.616 80 HE ARG 10 HE ARG 10 -19.329 2.221 10.322 81 HH11 ARG 10 HH11 ARG 10 -20.159 -0.977 9.139 82 HH12 ARG 10 HH12 ARG 10 -21.860 -0.639 9.073 83 HH21 ARG 10 HH21 ARG 10 -21.554 2.661 10.218 84 HH22 ARG 10 HH22 ARG 10 -22.652 1.428 9.684 85 H LYS 11 HN LYS 11 -14.034 -2.349 8.463 86 HA LYS 11 HA LYS 11 -11.696 -0.692 7.798 87 HB2 LYS 11 HB2 LYS 11 -11.864 -3.332 9.241 88 HB3 LYS 11 HB1 LYS 11 -10.360 -2.719 8.570 89 HG2 LYS 11 HG2 LYS 11 -12.038 -1.325 10.648 90 HG3 LYS 11 HG1 LYS 11 -10.565 -2.243 10.960 91 HD2 LYS 11 HD2 LYS 11 -9.295 -0.684 9.568 92 HD3 LYS 11 HD1 LYS 11 -10.767 0.229 9.243 93 HE2 LYS 11 HE2 LYS 11 -10.980 0.671 11.667 94 HE3 LYS 11 HE1 LYS 11 -9.446 -0.155 11.928 95 HZ1 LYS 11 HZ1 LYS 11 -8.416 1.507 10.431 96 HZ2 LYS 11 HZ2 LYS 11 -9.048 2.189 11.845 97 HZ3 LYS 11 HZ3 LYS 11 -9.888 2.340 10.379 98 H LEU 12 HN LEU 12 -10.679 -1.018 5.955 99 HA LEU 12 HA LEU 12 -11.849 -2.248 3.790 100 HB2 LEU 12 HB2 LEU 12 -10.229 -0.500 3.550 101 HB3 LEU 12 HB1 LEU 12 -8.971 -1.511 4.236 102 HG LEU 12 HG LEU 12 -9.695 -3.055 2.158 103 HD11 LEU 12 HD11 LEU 12 -10.120 -0.223 1.220 104 HD12 LEU 12 HD12 LEU 12 -11.364 -1.466 1.354 105 HD13 LEU 12 HD13 LEU 12 -10.047 -1.657 0.196 106 HD21 LEU 12 HD21 LEU 12 -7.763 -2.105 0.983 107 HD22 LEU 12 HD22 LEU 12 -7.439 -2.384 2.690 108 HD23 LEU 12 HD23 LEU 12 -7.756 -0.752 2.109 109 HA PRO 13 HA PRO 13 -8.576 -5.947 4.193 110 HB2 PRO 13 HB2 PRO 13 -8.356 -6.572 6.930 111 HB3 PRO 13 HB1 PRO 13 -7.089 -5.878 5.904 112 HG2 PRO 13 HG2 PRO 13 -8.915 -4.536 7.807 113 HG3 PRO 13 HG1 PRO 13 -7.238 -4.147 7.374 114 HD2 PRO 13 HD2 PRO 13 -9.281 -2.684 6.464 115 HD3 PRO 13 HD1 PRO 13 -7.855 -3.015 5.458 116 H GLN 14 HN GLN 14 -11.076 -5.384 6.635 117 HA GLN 14 HA GLN 14 -11.984 -8.092 6.684 118 HB2 GLN 14 HB2 GLN 14 -12.311 -5.909 8.302 119 HB3 GLN 14 HB1 GLN 14 -13.879 -6.002 7.513 120 HG2 GLN 14 HG2 GLN 14 -14.240 -8.212 8.317 121 HG3 GLN 14 HG1 GLN 14 -12.582 -8.330 8.902 122 HE21 GLN 14 HE21 GLN 14 -13.133 -8.731 11.014 123 HE22 GLN 14 HE22 GLN 14 -13.857 -7.539 12.039 124 H LEU 15 HN LEU 15 -12.900 -5.162 4.984 125 HA LEU 15 HA LEU 15 -15.336 -6.049 3.890 126 HB2 LEU 15 HB2 LEU 15 -14.761 -3.708 3.902 127 HB3 LEU 15 HB1 LEU 15 -13.351 -4.006 2.904 128 HG LEU 15 HG LEU 15 -14.893 -4.718 1.059 129 HD11 LEU 15 HD11 LEU 15 -16.841 -5.304 2.363 130 HD12 LEU 15 HD12 LEU 15 -17.247 -4.016 1.229 131 HD13 LEU 15 HD13 LEU 15 -16.994 -3.642 2.934 132 HD21 LEU 15 HD21 LEU 15 -15.391 -2.502 0.361 133 HD22 LEU 15 HD22 LEU 15 -13.898 -2.426 1.299 134 HD23 LEU 15 HD23 LEU 15 -15.423 -1.916 2.023 135 H CYS 16 HN CYS 16 -12.013 -6.425 2.844 136 HA CYS 16 HA CYS 16 -12.364 -7.251 0.225 137 HB2 CYS 16 HB2 CYS 16 -10.322 -8.311 2.192 138 HB3 CYS 16 HB1 CYS 16 -10.203 -8.362 0.436 139 HG CYS 16 HG CYS 16 -10.499 -5.345 1.982 140 H THR 17 HN THR 17 -12.708 -9.091 3.213 141 HA THR 17 HA THR 17 -12.972 -11.632 1.979 142 HB THR 17 HB THR 17 -14.321 -11.119 4.574 143 HG1 THR 17 HG1 THR 17 -12.576 -10.373 5.537 144 HG21 THR 17 HG21 THR 17 -12.283 -13.159 3.668 145 HG22 THR 17 HG22 THR 17 -14.032 -13.393 3.663 146 HG23 THR 17 HG23 THR 17 -13.175 -13.183 5.192 147 H GLU 18 HN GLU 18 -15.321 -9.200 3.074 148 HA GLU 18 HA GLU 18 -17.623 -10.749 2.497 149 HB2 GLU 18 HB2 GLU 18 -17.264 -7.760 2.761 150 HB3 GLU 18 HB1 GLU 18 -18.825 -8.557 2.615 151 HG2 GLU 18 HG2 GLU 18 -17.599 -9.902 4.688 152 HG3 GLU 18 HG1 GLU 18 -17.113 -8.224 4.927 153 H LEU 19 HN LEU 19 -15.654 -8.539 0.622 154 HA LEU 19 HA LEU 19 -17.483 -8.584 -1.621 155 HB2 LEU 19 HB2 LEU 19 -15.042 -7.123 -0.886 156 HB3 LEU 19 HB1 LEU 19 -15.161 -7.515 -2.590 157 HG LEU 19 HG LEU 19 -17.295 -6.040 -1.048 158 HD11 LEU 19 HD11 LEU 19 -15.160 -4.963 -2.888 159 HD12 LEU 19 HD12 LEU 19 -15.222 -4.745 -1.142 160 HD13 LEU 19 HD13 LEU 19 -16.470 -4.032 -2.159 161 HD21 LEU 19 HD21 LEU 19 -18.158 -7.192 -2.992 162 HD22 LEU 19 HD22 LEU 19 -16.869 -6.528 -3.995 163 HD23 LEU 19 HD23 LEU 19 -18.093 -5.460 -3.312 164 H GLN 20 HN GLN 20 -15.304 -10.705 -0.392 165 HA GLN 20 HA GLN 20 -14.213 -12.543 -1.139 166 HB2 GLN 20 HB2 GLN 20 -16.289 -12.196 -3.289 167 HB3 GLN 20 HB1 GLN 20 -15.145 -13.531 -3.326 168 HG2 GLN 20 HG2 GLN 20 -17.017 -12.949 -1.044 169 HG3 GLN 20 HG1 GLN 20 -17.335 -14.108 -2.335 170 HE21 GLN 20 HE21 GLN 20 -15.484 -13.420 0.519 171 HE22 GLN 20 HE22 GLN 20 -14.811 -15.005 0.710 172 H THR 21 HN THR 21 -12.612 -10.550 -1.421 173 HA THR 21 HA THR 21 -11.114 -11.178 -3.792 174 HB THR 21 HB THR 21 -12.668 -9.430 -4.639 175 HG1 THR 21 HG1 THR 21 -11.081 -8.585 -5.817 176 HG21 THR 21 HG21 THR 21 -12.982 -8.161 -2.579 177 HG22 THR 21 HG22 THR 21 -12.401 -7.112 -3.874 178 HG23 THR 21 HG23 THR 21 -11.292 -7.660 -2.616 179 H THR 22 HN THR 22 -9.196 -9.319 -3.788 180 HA THR 22 HA THR 22 -8.209 -9.308 -1.008 181 HB THR 22 HB THR 22 -5.900 -9.283 -2.292 182 HG1 THR 22 HG1 THR 22 -7.549 -10.781 -4.079 183 HG21 THR 22 HG21 THR 22 -5.828 -11.754 -2.106 184 HG22 THR 22 HG22 THR 22 -7.573 -11.756 -1.853 185 HG23 THR 22 HG23 THR 22 -6.513 -10.976 -0.681 186 H ILE 23 HN ILE 23 -6.395 -7.666 -0.723 187 HA ILE 23 HA ILE 23 -7.381 -5.083 -1.318 188 HB ILE 23 HB ILE 23 -4.594 -5.724 -0.348 189 HG12 ILE 23 HG12 ILE 23 -7.118 -5.438 1.301 190 HG13 ILE 23 HG11 ILE 23 -6.316 -6.967 0.954 191 HG21 ILE 23 HG21 ILE 23 -4.818 -3.576 0.833 192 HG22 ILE 23 HG22 ILE 23 -6.406 -3.352 0.098 193 HG23 ILE 23 HG23 ILE 23 -4.962 -3.390 -0.915 194 HD11 ILE 23 HD11 ILE 23 -5.043 -4.679 2.429 195 HD12 ILE 23 HD12 ILE 23 -4.393 -6.305 2.215 196 HD13 ILE 23 HD13 ILE 23 -5.837 -6.054 3.196 197 H HIS 24 HN HIS 24 -5.664 -7.197 -3.239 198 HA HIS 24 HA HIS 24 -4.209 -5.127 -4.707 199 HB2 HIS 24 HB2 HIS 24 -4.288 -8.103 -5.252 200 HB3 HIS 24 HB1 HIS 24 -3.151 -6.937 -5.913 201 HD1 HIS 24 HD1 HIS 24 -0.927 -6.972 -4.764 202 HD2 HIS 24 HD2 HIS 24 -4.008 -8.221 -2.265 203 HE1 HIS 24 HE1 HIS 24 0.150 -7.637 -2.577 204 H ASP 25 HN ASP 25 -7.226 -6.565 -4.708 205 HA ASP 25 HA ASP 25 -7.594 -5.989 -7.570 206 HB2 ASP 25 HB2 ASP 25 -7.673 -8.403 -7.152 207 HB3 ASP 25 HB1 ASP 25 -8.934 -8.161 -5.950 208 H ILE 26 HN ILE 26 -8.906 -5.773 -4.331 209 HA ILE 26 HA ILE 26 -11.494 -4.927 -4.912 210 HB ILE 26 HB ILE 26 -10.765 -5.562 -2.657 211 HG12 ILE 26 HG12 ILE 26 -11.841 -2.735 -2.695 212 HG13 ILE 26 HG11 ILE 26 -12.807 -4.167 -3.039 213 HG21 ILE 26 HG21 ILE 26 -9.479 -4.120 -1.247 214 HG22 ILE 26 HG22 ILE 26 -9.427 -2.872 -2.494 215 HG23 ILE 26 HG23 ILE 26 -8.574 -4.395 -2.737 216 HD11 ILE 26 HD11 ILE 26 -13.140 -3.417 -0.762 217 HD12 ILE 26 HD12 ILE 26 -11.409 -3.551 -0.448 218 HD13 ILE 26 HD13 ILE 26 -12.359 -4.999 -0.786 219 H ILE 27 HN ILE 27 -12.327 -3.173 -5.749 220 HA ILE 27 HA ILE 27 -10.734 -0.701 -5.841 221 HB ILE 27 HB ILE 27 -12.510 -1.820 -8.024 222 HG12 ILE 27 HG12 ILE 27 -10.234 -2.811 -7.879 223 HG13 ILE 27 HG11 ILE 27 -10.495 -1.917 -9.372 224 HG21 ILE 27 HG21 ILE 27 -11.814 0.195 -9.313 225 HG22 ILE 27 HG22 ILE 27 -11.121 0.846 -7.825 226 HG23 ILE 27 HG23 ILE 27 -12.855 0.542 -7.933 227 HD11 ILE 27 HD11 ILE 27 -9.287 0.001 -8.368 228 HD12 ILE 27 HD12 ILE 27 -8.300 -1.449 -8.552 229 HD13 ILE 27 HD13 ILE 27 -8.933 -1.010 -6.966 230 H LEU 28 HN LEU 28 -11.712 0.882 -4.785 231 HA LEU 28 HA LEU 28 -14.646 0.838 -4.575 232 HB2 LEU 28 HB2 LEU 28 -12.594 1.030 -2.542 233 HB3 LEU 28 HB1 LEU 28 -13.657 2.423 -2.492 234 HG LEU 28 HG LEU 28 -15.604 0.936 -2.262 235 HD11 LEU 28 HD11 LEU 28 -14.560 -0.995 -3.463 236 HD12 LEU 28 HD12 LEU 28 -15.385 -1.413 -1.963 237 HD13 LEU 28 HD13 LEU 28 -13.625 -1.320 -2.004 238 HD21 LEU 28 HD21 LEU 28 -14.628 1.784 -0.253 239 HD22 LEU 28 HD22 LEU 28 -13.376 0.541 -0.272 240 HD23 LEU 28 HD23 LEU 28 -15.059 0.095 0.019 241 H GLU 29 HN GLU 29 -15.640 2.985 -4.314 242 HA GLU 29 HA GLU 29 -14.153 5.000 -5.855 243 HB2 GLU 29 HB2 GLU 29 -16.567 5.898 -6.239 244 HB3 GLU 29 HB1 GLU 29 -15.999 4.520 -7.169 245 HG2 GLU 29 HG2 GLU 29 -17.127 3.043 -5.483 246 HG3 GLU 29 HG1 GLU 29 -17.841 4.500 -4.793 247 H CYS 30 HN CYS 30 -14.508 7.238 -5.297 248 HA CYS 30 HA CYS 30 -14.332 7.695 -2.505 249 HB2 CYS 30 HB2 CYS 30 -13.149 9.133 -4.076 250 HB3 CYS 30 HB1 CYS 30 -14.673 9.653 -4.787 251 H VAL 31 HN VAL 31 -15.751 8.512 -1.077 252 HA VAL 31 HA VAL 31 -18.503 8.072 -1.505 253 HB VAL 31 HB VAL 31 -17.620 7.809 0.700 254 HG11 VAL 31 HG11 VAL 31 -16.806 9.770 2.016 255 HG12 VAL 31 HG12 VAL 31 -16.800 10.701 0.515 256 HG13 VAL 31 HG13 VAL 31 -15.754 9.290 0.683 257 HG21 VAL 31 HG21 VAL 31 -19.295 10.299 0.871 258 HG22 VAL 31 HG22 VAL 31 -19.226 8.944 1.999 259 HG23 VAL 31 HG23 VAL 31 -19.960 8.734 0.410 260 H TYR 32 HN TYR 32 -16.499 10.945 -1.768 261 HA TYR 32 HA TYR 32 -18.925 12.548 -2.214 262 HB2 TYR 32 HB2 TYR 32 -16.105 13.413 -1.558 263 HB3 TYR 32 HB1 TYR 32 -17.429 14.521 -1.908 264 HD1 TYR 32 HD2 TYR 32 -19.653 13.866 -0.445 265 HD2 TYR 32 HD1 TYR 32 -15.609 13.160 0.674 266 HE1 TYR 32 HE2 TYR 32 -20.323 13.811 1.919 267 HE2 TYR 32 HE1 TYR 32 -16.269 13.101 3.042 268 HH TYR 32 HH TYR 32 -18.101 13.948 4.468 269 H CYS 33 HN CYS 33 -15.670 12.048 -3.590 270 HA CYS 33 HA CYS 33 -16.322 13.535 -5.957 271 HB2 CYS 33 HB2 CYS 33 -14.010 11.632 -5.724 272 HB3 CYS 33 HB1 CYS 33 -14.122 13.130 -6.645 273 H LYS 34 HN LYS 34 -16.609 10.246 -4.960 274 HA LYS 34 HA LYS 34 -17.395 8.364 -5.944 275 HB2 LYS 34 HB2 LYS 34 -18.755 10.546 -7.335 276 HB3 LYS 34 HB1 LYS 34 -18.627 9.088 -8.309 277 HG2 LYS 34 HG2 LYS 34 -20.225 8.076 -7.147 278 HG3 LYS 34 HG1 LYS 34 -19.451 8.471 -5.611 279 HD2 LYS 34 HD2 LYS 34 -21.021 10.511 -7.159 280 HD3 LYS 34 HD1 LYS 34 -21.802 9.397 -6.034 281 HE2 LYS 34 HE2 LYS 34 -20.482 10.228 -4.209 282 HE3 LYS 34 HE1 LYS 34 -19.512 11.218 -5.301 283 HZ1 LYS 34 HZ1 LYS 34 -21.067 12.646 -4.295 284 HZ2 LYS 34 HZ2 LYS 34 -22.358 11.586 -4.557 285 HZ3 LYS 34 HZ3 LYS 34 -21.646 12.391 -5.860 286 H GLN 35 HN GLN 35 -14.774 9.525 -6.693 287 HA GLN 35 HA GLN 35 -14.352 8.589 -9.413 288 HB2 GLN 35 HB2 GLN 35 -12.394 9.698 -7.386 289 HB3 GLN 35 HB1 GLN 35 -12.027 9.337 -9.066 290 HG2 GLN 35 HG2 GLN 35 -13.937 11.427 -8.053 291 HG3 GLN 35 HG1 GLN 35 -12.357 11.703 -8.784 292 HE21 GLN 35 HE21 GLN 35 -15.687 11.068 -9.340 293 HE22 GLN 35 HE22 GLN 35 -15.633 11.125 -11.069 294 H GLN 36 HN GLN 36 -12.721 6.963 -9.890 295 HA GLN 36 HA GLN 36 -12.969 4.712 -8.124 296 HB2 GLN 36 HB2 GLN 36 -11.897 5.187 -10.841 297 HB3 GLN 36 HB1 GLN 36 -11.199 3.846 -9.949 298 HG2 GLN 36 HG2 GLN 36 -13.663 3.164 -9.533 299 HG3 GLN 36 HG1 GLN 36 -14.005 4.230 -10.895 300 HE21 GLN 36 HE21 GLN 36 -11.114 2.267 -10.510 301 HE22 GLN 36 HE22 GLN 36 -11.426 1.216 -11.844 302 H LEU 37 HN LEU 37 -11.701 4.285 -6.478 303 HA LEU 37 HA LEU 37 -9.156 5.648 -6.198 304 HB2 LEU 37 HB2 LEU 37 -10.982 4.136 -4.423 305 HB3 LEU 37 HB1 LEU 37 -9.275 4.022 -4.044 306 HG LEU 37 HG LEU 37 -9.296 6.602 -4.106 307 HD11 LEU 37 HD11 LEU 37 -11.457 6.926 -5.124 308 HD12 LEU 37 HD12 LEU 37 -11.468 7.585 -3.490 309 HD13 LEU 37 HD13 LEU 37 -12.241 6.035 -3.820 310 HD21 LEU 37 HD21 LEU 37 -8.929 5.449 -2.065 311 HD22 LEU 37 HD22 LEU 37 -10.622 4.964 -1.959 312 HD23 LEU 37 HD23 LEU 37 -10.175 6.659 -1.753 313 H LEU 38 HN LEU 38 -7.431 4.793 -7.147 314 HA LEU 38 HA LEU 38 -7.252 2.112 -8.023 315 HB2 LEU 38 HB2 LEU 38 -5.078 4.165 -7.578 316 HB3 LEU 38 HB1 LEU 38 -4.853 2.639 -8.412 317 HG LEU 38 HG LEU 38 -6.703 4.846 -9.328 318 HD11 LEU 38 HD11 LEU 38 -3.963 4.035 -10.289 319 HD12 LEU 38 HD12 LEU 38 -4.401 5.553 -9.503 320 HD13 LEU 38 HD13 LEU 38 -5.030 5.178 -11.108 321 HD21 LEU 38 HD21 LEU 38 -6.741 3.534 -11.431 322 HD22 LEU 38 HD22 LEU 38 -7.482 2.691 -10.069 323 HD23 LEU 38 HD23 LEU 38 -5.862 2.247 -10.608 324 H ARG 39 HN ARG 39 -5.677 0.502 -7.274 325 HA ARG 39 HA ARG 39 -5.975 -0.146 -4.603 326 HB2 ARG 39 HB2 ARG 39 -4.104 -1.776 -4.958 327 HB3 ARG 39 HB1 ARG 39 -5.398 -1.867 -6.145 328 HG2 ARG 39 HG2 ARG 39 -4.024 -0.581 -7.716 329 HG3 ARG 39 HG1 ARG 39 -2.721 -0.540 -6.528 330 HD2 ARG 39 HD2 ARG 39 -3.919 -3.120 -7.496 331 HD3 ARG 39 HD1 ARG 39 -2.598 -2.325 -8.349 332 HE ARG 39 HE ARG 39 -2.387 -3.154 -5.523 333 HH11 ARG 39 HH11 ARG 39 -1.099 -3.017 -8.783 334 HH12 ARG 39 HH12 ARG 39 0.414 -3.739 -8.345 335 HH21 ARG 39 HH21 ARG 39 -0.403 -4.105 -4.953 336 HH22 ARG 39 HH22 ARG 39 0.810 -4.372 -6.170 337 H ARG 40 HN ARG 40 -3.746 2.072 -5.992 338 HA ARG 40 HA ARG 40 -1.663 2.004 -4.115 339 HB2 ARG 40 HB2 ARG 40 -1.694 3.275 -6.307 340 HB3 ARG 40 HB1 ARG 40 -2.694 4.482 -5.510 341 HG2 ARG 40 HG2 ARG 40 -0.880 4.824 -3.856 342 HG3 ARG 40 HG1 ARG 40 0.126 3.713 -4.786 343 HD2 ARG 40 HD2 ARG 40 0.781 5.801 -5.568 344 HD3 ARG 40 HD1 ARG 40 -0.389 5.274 -6.777 345 HE ARG 40 HE ARG 40 -1.801 6.705 -4.847 346 HH11 ARG 40 HH11 ARG 40 0.714 7.336 -7.223 347 HH12 ARG 40 HH12 ARG 40 0.280 9.002 -7.417 348 HH21 ARG 40 HH21 ARG 40 -2.346 8.887 -5.092 349 HH22 ARG 40 HH22 ARG 40 -1.456 9.890 -6.200 350 H GLU 41 HN GLU 41 -4.667 3.902 -4.188 351 HA GLU 41 HA GLU 41 -4.172 5.140 -1.647 352 HB2 GLU 41 HB2 GLU 41 -6.809 4.922 -3.105 353 HB3 GLU 41 HB1 GLU 41 -6.367 6.102 -1.880 354 HG2 GLU 41 HG2 GLU 41 -5.374 5.904 -4.702 355 HG3 GLU 41 HG1 GLU 41 -6.293 7.211 -3.958 356 H VAL 42 HN VAL 42 -5.807 2.327 -2.847 357 HA VAL 42 HA VAL 42 -7.406 1.676 -0.652 358 HB VAL 42 HB VAL 42 -6.029 -0.139 -2.640 359 HG11 VAL 42 HG11 VAL 42 -7.627 -1.851 -2.008 360 HG12 VAL 42 HG12 VAL 42 -8.322 -0.780 -0.792 361 HG13 VAL 42 HG13 VAL 42 -6.667 -1.364 -0.611 362 HG21 VAL 42 HG21 VAL 42 -8.222 -0.178 -3.743 363 HG22 VAL 42 HG22 VAL 42 -7.552 1.452 -3.668 364 HG23 VAL 42 HG23 VAL 42 -8.832 0.971 -2.553 365 H TYR 43 HN TYR 43 -4.007 0.945 -1.351 366 HA TYR 43 HA TYR 43 -3.547 -0.701 0.898 367 HB2 TYR 43 HB2 TYR 43 -1.698 0.983 -0.788 368 HB3 TYR 43 HB1 TYR 43 -1.116 0.007 0.557 369 HD1 TYR 43 HD1 TYR 43 -2.389 -2.507 0.382 370 HD2 TYR 43 HD2 TYR 43 -1.168 0.037 -2.803 371 HE1 TYR 43 HE1 TYR 43 -2.229 -4.457 -1.107 372 HE2 TYR 43 HE2 TYR 43 -1.007 -1.904 -4.299 373 HH TYR 43 HH TYR 43 -1.768 -5.181 -3.149 374 H ASP 44 HN ASP 44 -3.221 2.774 0.362 375 HA ASP 44 HA ASP 44 -2.082 3.437 2.842 376 HB2 ASP 44 HB2 ASP 44 -3.400 4.898 0.650 377 HB3 ASP 44 HB1 ASP 44 -3.523 5.671 2.228 378 H PHE 45 HN PHE 45 -5.357 2.821 1.868 379 HA PHE 45 HA PHE 45 -6.687 3.922 4.097 380 HB2 PHE 45 HB2 PHE 45 -7.601 3.034 1.813 381 HB3 PHE 45 HB1 PHE 45 -7.692 1.490 2.653 382 HD1 PHE 45 HD2 PHE 45 -9.230 1.190 4.535 383 HD2 PHE 45 HD1 PHE 45 -9.107 4.816 2.307 384 HE1 PHE 45 HE2 PHE 45 -11.412 1.833 5.467 385 HE2 PHE 45 HE1 PHE 45 -11.290 5.463 3.238 386 HZ PHE 45 HZ PHE 45 -12.446 3.970 4.819 387 H ALA 46 HN ALA 46 -5.149 0.834 3.503 388 HA ALA 46 HA ALA 46 -6.062 -0.307 6.003 389 HB1 ALA 46 HB1 ALA 46 -5.815 -1.735 4.034 390 HB2 ALA 46 HB2 ALA 46 -4.763 -2.268 5.346 391 HB3 ALA 46 HB3 ALA 46 -4.090 -1.371 3.985 392 H PHE 47 HN PHE 47 -3.158 1.130 4.663 393 HA PHE 47 HA PHE 47 -1.435 0.470 6.821 394 HB2 PHE 47 HB2 PHE 47 -1.308 2.272 4.461 395 HB3 PHE 47 HB1 PHE 47 -0.207 2.618 5.790 396 HD1 PHE 47 HD1 PHE 47 -1.380 -0.308 3.785 397 HD2 PHE 47 HD2 PHE 47 1.864 1.646 5.730 398 HE1 PHE 47 HE1 PHE 47 0.152 -2.051 2.973 399 HE2 PHE 47 HE2 PHE 47 3.400 -0.094 4.918 400 HZ PHE 47 HZ PHE 47 2.544 -1.946 3.540 401 H ARG 48 HN ARG 48 -3.521 3.202 6.120 402 HA ARG 48 HA ARG 48 -2.700 4.557 8.578 403 HB2 ARG 48 HB2 ARG 48 -4.508 5.316 6.287 404 HB3 ARG 48 HB1 ARG 48 -4.420 6.266 7.761 405 HG2 ARG 48 HG2 ARG 48 -2.099 6.755 7.366 406 HG3 ARG 48 HG1 ARG 48 -2.077 5.672 5.968 407 HD2 ARG 48 HD2 ARG 48 -3.635 7.073 4.795 408 HD3 ARG 48 HD1 ARG 48 -3.851 8.096 6.210 409 HE ARG 48 HE ARG 48 -1.395 8.641 5.891 410 HH11 ARG 48 HH11 ARG 48 -3.471 7.709 3.230 411 HH12 ARG 48 HH12 ARG 48 -2.628 8.669 2.059 412 HH21 ARG 48 HH21 ARG 48 -0.273 9.918 4.339 413 HH22 ARG 48 HH22 ARG 48 -0.822 9.934 2.691 414 H ASP 49 HN ASP 49 -4.716 5.570 9.771 415 HA ASP 49 HA ASP 49 -6.511 3.322 10.325 416 HB2 ASP 49 HB2 ASP 49 -5.267 4.213 12.262 417 HB3 ASP 49 HB1 ASP 49 -5.999 5.793 11.991 418 H LEU 50 HN LEU 50 -7.794 3.714 8.482 419 HA LEU 50 HA LEU 50 -9.561 6.051 8.763 420 HB2 LEU 50 HB2 LEU 50 -8.813 4.572 6.236 421 HB3 LEU 50 HB1 LEU 50 -9.956 5.897 6.333 422 HG LEU 50 HG LEU 50 -7.003 6.093 6.942 423 HD11 LEU 50 HD11 LEU 50 -8.562 7.167 4.599 424 HD12 LEU 50 HD12 LEU 50 -7.506 5.755 4.556 425 HD13 LEU 50 HD13 LEU 50 -6.832 7.350 4.892 426 HD21 LEU 50 HD21 LEU 50 -7.419 8.517 6.987 427 HD22 LEU 50 HD22 LEU 50 -8.273 7.664 8.274 428 HD23 LEU 50 HD23 LEU 50 -9.151 8.208 6.844 429 H CYS 51 HN CYS 51 -11.777 5.716 8.155 430 HA CYS 51 HA CYS 51 -12.613 2.917 8.504 431 HB2 CYS 51 HB2 CYS 51 -14.818 4.332 9.219 432 HB3 CYS 51 HB1 CYS 51 -13.604 3.763 10.360 433 HG CYS 51 HG CYS 51 -12.355 6.121 10.744 434 H ILE 52 HN ILE 52 -14.334 2.179 7.279 435 HA ILE 52 HA ILE 52 -14.602 3.451 4.720 436 HB ILE 52 HB ILE 52 -16.020 0.999 5.773 437 HG12 ILE 52 HG12 ILE 52 -13.468 1.203 4.157 438 HG13 ILE 52 HG11 ILE 52 -13.558 0.782 5.864 439 HG21 ILE 52 HG21 ILE 52 -15.552 1.962 2.951 440 HG22 ILE 52 HG22 ILE 52 -17.089 1.990 3.819 441 HG23 ILE 52 HG23 ILE 52 -16.336 0.448 3.410 442 HD11 ILE 52 HD11 ILE 52 -14.757 -0.796 3.607 443 HD12 ILE 52 HD12 ILE 52 -14.802 -1.224 5.318 444 HD13 ILE 52 HD13 ILE 52 -13.262 -1.174 4.460 445 H VAL 53 HN VAL 53 -16.309 4.497 3.905 446 HA VAL 53 HA VAL 53 -18.594 4.961 5.703 447 HB VAL 53 HB VAL 53 -18.811 7.098 4.169 448 HG11 VAL 53 HG11 VAL 53 -17.399 8.352 5.803 449 HG12 VAL 53 HG12 VAL 53 -16.825 6.806 6.427 450 HG13 VAL 53 HG13 VAL 53 -18.532 7.230 6.554 451 HG21 VAL 53 HG21 VAL 53 -15.847 6.544 4.034 452 HG22 VAL 53 HG22 VAL 53 -16.661 8.007 3.479 453 HG23 VAL 53 HG23 VAL 53 -16.969 6.468 2.674 454 H TYR 54 HN TYR 54 -20.353 3.977 4.981 455 HA TYR 54 HA TYR 54 -20.570 3.297 2.150 456 HB2 TYR 54 HB2 TYR 54 -22.193 2.464 4.558 457 HB3 TYR 54 HB1 TYR 54 -22.525 1.943 2.906 458 HD1 TYR 54 HD2 TYR 54 -20.165 1.685 5.725 459 HD2 TYR 54 HD1 TYR 54 -21.145 0.284 1.824 460 HE1 TYR 54 HE2 TYR 54 -18.556 -0.151 5.987 461 HE2 TYR 54 HE1 TYR 54 -19.530 -1.558 2.077 462 HH TYR 54 HH TYR 54 -17.678 -1.966 5.094 463 H ARG 55 HN ARG 55 -21.438 4.794 0.923 464 HA ARG 55 HA ARG 55 -23.403 6.665 1.990 465 HB2 ARG 55 HB2 ARG 55 -21.334 7.178 0.450 466 HB3 ARG 55 HB1 ARG 55 -22.418 6.685 -0.845 467 HG2 ARG 55 HG2 ARG 55 -23.341 8.734 1.116 468 HG3 ARG 55 HG1 ARG 55 -22.187 9.193 -0.134 469 HD2 ARG 55 HD2 ARG 55 -24.979 8.151 -0.456 470 HD3 ARG 55 HD1 ARG 55 -24.297 9.666 -1.038 471 HE ARG 55 HE ARG 55 -22.846 7.781 -2.343 472 HH11 ARG 55 HH11 ARG 55 -26.255 8.433 -2.000 473 HH12 ARG 55 HH12 ARG 55 -26.685 7.714 -3.518 474 HH21 ARG 55 HH21 ARG 55 -23.396 6.824 -4.378 475 HH22 ARG 55 HH22 ARG 55 -25.064 6.802 -4.867 476 H ASP 56 HN ASP 56 -25.426 6.019 1.980 477 HA ASP 56 HA ASP 56 -27.448 5.260 1.313 478 HB2 ASP 56 HB2 ASP 56 -26.756 6.617 -0.784 479 HB3 ASP 56 HB1 ASP 56 -26.462 5.045 -1.523 480 H GLY 57 HN GLY 57 -25.243 3.433 2.022 481 HA2 GLY 57 HA2 GLY 57 -25.181 1.146 2.372 482 HA3 GLY 57 HA1 GLY 57 -26.592 0.988 1.337 483 H ASN 58 HN ASN 58 -23.666 2.599 0.312 484 HA ASN 58 HA ASN 58 -23.058 0.313 -1.437 485 HB2 ASN 58 HB2 ASN 58 -23.673 3.064 -2.134 486 HB3 ASN 58 HB1 ASN 58 -22.086 2.593 -2.729 487 HD21 ASN 58 HD21 ASN 58 -24.360 3.218 -4.301 488 HD22 ASN 58 HD22 ASN 58 -24.778 1.805 -5.204 489 HA PRO 59 HA PRO 59 -19.019 0.513 0.370 490 HB2 PRO 59 HB2 PRO 59 -17.925 -0.492 -2.170 491 HB3 PRO 59 HB1 PRO 59 -17.955 -1.267 -0.578 492 HG2 PRO 59 HG2 PRO 59 -19.468 -2.134 -2.606 493 HG3 PRO 59 HG1 PRO 59 -20.002 -2.213 -0.915 494 HD2 PRO 59 HD2 PRO 59 -20.780 -0.277 -3.050 495 HD3 PRO 59 HD1 PRO 59 -21.774 -1.033 -1.788 496 H TYR 60 HN TYR 60 -18.365 2.586 0.580 497 HA TYR 60 HA TYR 60 -17.061 3.830 -1.747 498 HB2 TYR 60 HB2 TYR 60 -18.885 5.035 0.310 499 HB3 TYR 60 HB1 TYR 60 -17.672 6.027 -0.489 500 HD1 TYR 60 HD1 TYR 60 -17.755 6.229 -3.002 501 HD2 TYR 60 HD2 TYR 60 -20.929 4.539 -0.744 502 HE1 TYR 60 HE1 TYR 60 -19.293 6.638 -4.873 503 HE2 TYR 60 HE2 TYR 60 -22.479 4.938 -2.608 504 HH TYR 60 HH TYR 60 -21.460 5.734 -5.715 505 H ALA 61 HN ALA 61 -15.264 5.188 -1.256 506 HA ALA 61 HA ALA 61 -14.110 4.785 1.424 507 HB1 ALA 61 HB1 ALA 61 -11.907 4.457 0.421 508 HB2 ALA 61 HB2 ALA 61 -12.611 4.579 -1.190 509 HB3 ALA 61 HB3 ALA 61 -13.042 3.232 -0.140 510 H VAL 62 HN VAL 62 -11.999 6.281 1.480 511 HA VAL 62 HA VAL 62 -12.932 8.961 0.714 512 HB VAL 62 HB VAL 62 -10.805 8.364 2.767 513 HG11 VAL 62 HG11 VAL 62 -11.427 10.580 3.618 514 HG12 VAL 62 HG12 VAL 62 -12.609 10.740 2.319 515 HG13 VAL 62 HG13 VAL 62 -10.889 10.648 1.937 516 HG21 VAL 62 HG21 VAL 62 -12.795 7.179 3.486 517 HG22 VAL 62 HG22 VAL 62 -13.775 8.625 3.234 518 HG23 VAL 62 HG23 VAL 62 -12.545 8.603 4.498 519 H CYS 63 HN CYS 63 -11.893 9.850 -0.972 520 HA CYS 63 HA CYS 63 -9.537 8.670 -2.067 521 HB2 CYS 63 HB2 CYS 63 -9.678 10.439 -3.747 522 HB3 CYS 63 HB1 CYS 63 -11.259 9.714 -3.483 523 H ASP 64 HN ASP 64 -7.754 10.250 -2.801 524 HA ASP 64 HA ASP 64 -6.274 11.040 -0.550 525 HB2 ASP 64 HB2 ASP 64 -5.205 10.377 -2.635 526 HB3 ASP 64 HB1 ASP 64 -5.937 11.738 -3.477 527 H LYS 65 HN LYS 65 -8.593 12.704 -2.480 528 HA LYS 65 HA LYS 65 -7.766 15.358 -1.720 529 HB2 LYS 65 HB2 LYS 65 -10.415 14.551 -2.915 530 HB3 LYS 65 HB1 LYS 65 -9.632 16.123 -2.989 531 HG2 LYS 65 HG2 LYS 65 -8.233 15.508 -4.674 532 HG3 LYS 65 HG1 LYS 65 -8.191 13.816 -4.175 533 HD2 LYS 65 HD2 LYS 65 -9.387 14.070 -6.287 534 HD3 LYS 65 HD1 LYS 65 -10.476 13.514 -5.016 535 HE2 LYS 65 HE2 LYS 65 -11.060 15.981 -4.693 536 HE3 LYS 65 HE1 LYS 65 -10.256 16.248 -6.238 537 HZ1 LYS 65 HZ1 LYS 65 -12.641 15.964 -6.500 538 HZ2 LYS 65 HZ2 LYS 65 -12.567 14.435 -5.779 539 HZ3 LYS 65 HZ3 LYS 65 -11.804 14.710 -7.268 540 H CYS 66 HN CYS 66 -10.662 13.378 -1.085 541 HA CYS 66 HA CYS 66 -11.701 15.116 0.894 542 HB2 CYS 66 HB2 CYS 66 -12.352 12.206 0.429 543 HB3 CYS 66 HB1 CYS 66 -13.349 13.384 1.279 544 H LEU 67 HN LEU 67 -9.284 12.720 1.005 545 HA LEU 67 HA LEU 67 -9.436 11.630 3.510 546 HB2 LEU 67 HB2 LEU 67 -7.641 11.534 1.537 547 HB3 LEU 67 HB1 LEU 67 -6.773 12.585 2.638 548 HG LEU 67 HG LEU 67 -7.895 10.113 3.809 549 HD11 LEU 67 HD11 LEU 67 -5.527 10.082 1.942 550 HD12 LEU 67 HD12 LEU 67 -7.078 9.285 1.673 551 HD13 LEU 67 HD13 LEU 67 -6.032 8.756 2.991 552 HD21 LEU 67 HD21 LEU 67 -6.585 11.723 5.119 553 HD22 LEU 67 HD22 LEU 67 -5.214 11.478 4.037 554 HD23 LEU 67 HD23 LEU 67 -5.799 10.146 5.035 555 H LYS 68 HN LYS 68 -7.927 14.755 2.694 556 HA LYS 68 HA LYS 68 -7.394 15.285 5.489 557 HB2 LYS 68 HB2 LYS 68 -6.545 17.496 4.639 558 HB3 LYS 68 HB1 LYS 68 -5.705 16.073 4.051 559 HG2 LYS 68 HG2 LYS 68 -7.896 16.954 2.334 560 HG3 LYS 68 HG1 LYS 68 -6.589 18.126 2.511 561 HD2 LYS 68 HD2 LYS 68 -4.997 16.206 2.000 562 HD3 LYS 68 HD1 LYS 68 -6.429 15.297 1.509 563 HE2 LYS 68 HE2 LYS 68 -5.401 16.298 -0.429 564 HE3 LYS 68 HE1 LYS 68 -6.959 17.062 -0.125 565 HZ1 LYS 68 HZ1 LYS 68 -5.198 18.651 -0.687 566 HZ2 LYS 68 HZ2 LYS 68 -4.337 18.194 0.695 567 HZ3 LYS 68 HZ3 LYS 68 -5.847 18.942 0.845 568 H PHE 69 HN PHE 69 -10.037 15.668 3.467 569 HA PHE 69 HA PHE 69 -10.988 18.148 4.553 570 HB2 PHE 69 HB2 PHE 69 -12.034 16.140 2.622 571 HB3 PHE 69 HB1 PHE 69 -13.195 17.188 3.423 572 HD1 PHE 69 HD1 PHE 69 -10.319 17.094 1.154 573 HD2 PHE 69 HD2 PHE 69 -13.350 19.518 2.898 574 HE1 PHE 69 HE1 PHE 69 -9.813 18.875 -0.464 575 HE2 PHE 69 HE2 PHE 69 -12.849 21.304 1.282 576 HZ PHE 69 HZ PHE 69 -11.077 20.986 -0.401 577 H TYR 70 HN TYR 70 -12.009 14.738 4.941 578 HA TYR 70 HA TYR 70 -13.257 15.526 7.494 579 HB2 TYR 70 HB2 TYR 70 -14.439 13.724 5.369 580 HB3 TYR 70 HB1 TYR 70 -15.101 13.908 6.989 581 HD1 TYR 70 HD2 TYR 70 -15.783 16.297 7.708 582 HD2 TYR 70 HD1 TYR 70 -15.102 15.168 3.664 583 HE1 TYR 70 HE2 TYR 70 -17.087 18.238 6.952 584 HE2 TYR 70 HE1 TYR 70 -16.401 17.109 2.894 585 HH TYR 70 HH TYR 70 -18.246 18.591 3.860 586 H MET 1 HT1 MET 1 21.989 8.025 -2.008 587 HA MET 1 HA MET 1 23.966 7.090 -1.210 588 HB2 MET 1 HB2 MET 1 25.861 8.507 -0.470 589 HB3 MET 1 HB1 MET 1 25.568 8.632 -2.198 590 HG2 MET 1 HG2 MET 1 25.771 10.827 -1.801 591 HG3 MET 1 HG1 MET 1 24.083 10.695 -1.315 592 HE1 MET 1 HE1 MET 1 25.484 13.168 -0.340 593 HE2 MET 1 HE2 MET 1 25.198 13.170 1.399 594 HE3 MET 1 HE3 MET 1 23.909 12.694 0.292 595 H PHE 2 HN PHE 2 24.179 6.658 0.968 596 HA PHE 2 HA PHE 2 22.981 8.528 2.863 597 HB2 PHE 2 HB2 PHE 2 21.499 6.442 1.885 598 HB3 PHE 2 HB1 PHE 2 22.217 5.724 3.321 599 HD1 PHE 2 HD1 PHE 2 21.163 9.253 2.836 600 HD2 PHE 2 HD2 PHE 2 20.391 5.529 4.753 601 HE1 PHE 2 HE1 PHE 2 19.450 10.325 4.236 602 HE2 PHE 2 HE2 PHE 2 18.678 6.602 6.152 603 HZ PHE 2 HZ PHE 2 18.209 9.002 5.895 604 H GLN 3 HN GLN 3 24.449 8.831 4.373 605 HA GLN 3 HA GLN 3 26.076 6.541 5.251 606 HB2 GLN 3 HB2 GLN 3 27.547 8.903 5.753 607 HB3 GLN 3 HB1 GLN 3 27.932 7.618 4.619 608 HG2 GLN 3 HG2 GLN 3 27.988 9.576 3.350 609 HG3 GLN 3 HG1 GLN 3 26.432 8.840 2.966 610 HE21 GLN 3 HE21 GLN 3 28.051 11.509 4.424 611 HE22 GLN 3 HE22 GLN 3 26.649 12.464 4.745 612 H ASP 4 HN ASP 4 27.384 7.752 7.348 613 HA ASP 4 HA ASP 4 25.479 7.609 9.413 614 HB2 ASP 4 HB2 ASP 4 27.291 8.174 10.914 615 HB3 ASP 4 HB1 ASP 4 27.917 7.102 9.668 616 HA PRO 5 HA PRO 5 25.687 8.740 11.839 617 HB2 PRO 5 HB2 PRO 5 23.310 9.468 12.971 618 HB3 PRO 5 HB1 PRO 5 24.812 10.388 13.173 619 HG2 PRO 5 HG2 PRO 5 22.537 10.886 11.313 620 HG3 PRO 5 HG1 PRO 5 23.458 12.036 12.306 621 HD2 PRO 5 HD2 PRO 5 23.930 11.747 9.680 622 HD3 PRO 5 HD1 PRO 5 25.234 12.090 10.835 623 H GLN 6 HN GLN 6 23.390 8.778 9.308 624 HA GLN 6 HA GLN 6 21.622 6.769 10.245 625 HB2 GLN 6 HB2 GLN 6 22.308 7.715 7.462 626 HB3 GLN 6 HB1 GLN 6 21.084 6.499 7.784 627 HG2 GLN 6 HG2 GLN 6 19.868 8.459 7.576 628 HG3 GLN 6 HG1 GLN 6 20.018 8.247 9.317 629 HE21 GLN 6 HE21 GLN 6 22.617 9.374 7.246 630 HE22 GLN 6 HE22 GLN 6 22.655 10.986 7.865 631 H GLU 7 HN GLU 7 21.566 4.550 9.774 632 HA GLU 7 HA GLU 7 24.188 3.440 8.994 633 HB2 GLU 7 HB2 GLU 7 23.372 3.113 11.402 634 HB3 GLU 7 HB1 GLU 7 22.173 2.020 10.722 635 HG2 GLU 7 HG2 GLU 7 24.323 1.001 11.625 636 HG3 GLU 7 HG1 GLU 7 23.783 0.488 10.028 637 H ARG 8 HN ARG 8 20.932 3.708 8.168 638 HA ARG 8 HA ARG 8 19.690 2.852 6.465 639 HB2 ARG 8 HB2 ARG 8 22.185 1.435 5.525 640 HB3 ARG 8 HB1 ARG 8 20.756 1.813 4.575 641 HG2 ARG 8 HG2 ARG 8 21.465 3.880 4.120 642 HG3 ARG 8 HG1 ARG 8 22.017 4.158 5.774 643 HD2 ARG 8 HD2 ARG 8 23.494 2.529 3.707 644 HD3 ARG 8 HD1 ARG 8 23.848 4.208 4.111 645 HE ARG 8 HE ARG 8 23.924 2.263 6.290 646 HH11 ARG 8 HH11 ARG 8 25.670 4.255 3.995 647 HH12 ARG 8 HH12 ARG 8 27.186 4.107 4.828 648 HH21 ARG 8 HH21 ARG 8 25.923 2.097 7.416 649 HH22 ARG 8 HH22 ARG 8 27.328 2.889 6.763 650 HA PRO 9 HA PRO 9 19.283 -1.035 8.930 651 HB2 PRO 9 HB2 PRO 9 16.547 -0.771 9.150 652 HB3 PRO 9 HB1 PRO 9 17.711 -0.131 10.322 653 HG2 PRO 9 HG2 PRO 9 16.253 1.277 8.160 654 HG3 PRO 9 HG1 PRO 9 16.681 1.831 9.789 655 HD2 PRO 9 HD2 PRO 9 18.034 2.610 7.587 656 HD3 PRO 9 HD1 PRO 9 18.801 2.442 9.179 657 H ARG 10 HN ARG 10 18.180 -2.995 8.382 658 HA ARG 10 HA ARG 10 17.838 -3.246 5.514 659 HB2 ARG 10 HB2 ARG 10 18.166 -5.160 7.786 660 HB3 ARG 10 HB1 ARG 10 17.507 -5.745 6.266 661 HG2 ARG 10 HG2 ARG 10 19.946 -6.084 6.472 662 HG3 ARG 10 HG1 ARG 10 19.502 -5.091 5.084 663 HD2 ARG 10 HD2 ARG 10 20.233 -3.113 6.137 664 HD3 ARG 10 HD1 ARG 10 20.298 -3.883 7.718 665 HE ARG 10 HE ARG 10 22.096 -5.272 6.216 666 HH11 ARG 10 HH11 ARG 10 21.654 -1.864 6.930 667 HH12 ARG 10 HH12 ARG 10 23.352 -1.517 6.928 668 HH21 ARG 10 HH21 ARG 10 24.341 -4.789 6.202 669 HH22 ARG 10 HH22 ARG 10 24.871 -3.167 6.510 670 H LYS 11 HN LYS 11 15.819 -2.299 7.833 671 HA LYS 11 HA LYS 11 13.514 -3.679 6.641 672 HB2 LYS 11 HB2 LYS 11 14.116 -2.925 9.433 673 HB3 LYS 11 HB1 LYS 11 12.468 -2.614 8.902 674 HG2 LYS 11 HG2 LYS 11 13.845 -5.277 8.625 675 HG3 LYS 11 HG1 LYS 11 12.813 -4.831 9.986 676 HD2 LYS 11 HD2 LYS 11 10.893 -4.766 8.667 677 HD3 LYS 11 HD1 LYS 11 11.810 -4.594 7.169 678 HE2 LYS 11 HE2 LYS 11 12.541 -6.879 7.286 679 HE3 LYS 11 HE1 LYS 11 11.839 -7.065 8.891 680 HZ1 LYS 11 HZ1 LYS 11 9.636 -6.606 7.814 681 HZ2 LYS 11 HZ2 LYS 11 10.359 -8.067 7.375 682 HZ3 LYS 11 HZ3 LYS 11 10.400 -6.750 6.312 683 H LEU 12 HN LEU 12 12.124 -2.527 5.550 684 HA LEU 12 HA LEU 12 12.557 0.042 4.696 685 HB2 LEU 12 HB2 LEU 12 11.068 -1.696 3.674 686 HB3 LEU 12 HB1 LEU 12 9.849 -1.261 4.855 687 HG LEU 12 HG LEU 12 10.022 1.114 3.926 688 HD11 LEU 12 HD11 LEU 12 10.779 1.224 1.571 689 HD12 LEU 12 HD12 LEU 12 11.445 -0.400 1.745 690 HD13 LEU 12 HD13 LEU 12 12.088 0.925 2.715 691 HD21 LEU 12 HD21 LEU 12 8.540 0.558 2.020 692 HD22 LEU 12 HD22 LEU 12 8.097 -0.263 3.516 693 HD23 LEU 12 HD23 LEU 12 8.944 -1.141 2.245 694 HA PRO 13 HA PRO 13 9.105 1.692 7.805 695 HB2 PRO 13 HB2 PRO 13 9.223 0.309 10.223 696 HB3 PRO 13 HB1 PRO 13 7.962 0.121 8.992 697 HG2 PRO 13 HG2 PRO 13 10.363 -1.554 9.501 698 HG3 PRO 13 HG1 PRO 13 8.720 -2.036 9.034 699 HD2 PRO 13 HD2 PRO 13 10.694 -2.002 7.244 700 HD3 PRO 13 HD1 PRO 13 9.048 -1.494 6.806 701 H GLN 14 HN GLN 14 12.070 0.199 9.048 702 HA GLN 14 HA GLN 14 12.582 2.347 10.891 703 HB2 GLN 14 HB2 GLN 14 13.296 -0.114 11.118 704 HB3 GLN 14 HB1 GLN 14 14.583 0.287 9.993 705 HG2 GLN 14 HG2 GLN 14 15.473 1.922 11.519 706 HG3 GLN 14 HG1 GLN 14 14.121 1.676 12.618 707 HE21 GLN 14 HE21 GLN 14 15.492 1.117 14.306 708 HE22 GLN 14 HE22 GLN 14 16.303 -0.408 14.362 709 H LEU 15 HN LEU 15 13.551 1.470 7.646 710 HA LEU 15 HA LEU 15 15.716 3.274 7.390 711 HB2 LEU 15 HB2 LEU 15 15.354 1.394 5.857 712 HB3 LEU 15 HB1 LEU 15 13.883 2.141 5.271 713 HG LEU 15 HG LEU 15 15.235 4.033 4.394 714 HD11 LEU 15 HD11 LEU 15 17.143 3.887 5.877 715 HD12 LEU 15 HD12 LEU 15 17.669 3.740 4.201 716 HD13 LEU 15 HD13 LEU 15 17.564 2.304 5.221 717 HD21 LEU 15 HD21 LEU 15 16.141 2.823 2.492 718 HD22 LEU 15 HD22 LEU 15 14.579 2.156 2.966 719 HD23 LEU 15 HD23 LEU 15 16.066 1.313 3.397 720 H CYS 16 HN CYS 16 12.260 3.559 6.925 721 HA CYS 16 HA CYS 16 12.198 6.054 5.649 722 HB2 CYS 16 HB2 CYS 16 10.144 4.889 7.541 723 HB3 CYS 16 HB1 CYS 16 9.866 6.180 6.379 724 HG CYS 16 HG CYS 16 10.774 3.008 5.469 725 H THR 17 HN THR 17 12.404 5.171 9.057 726 HA THR 17 HA THR 17 11.942 7.773 10.081 727 HB THR 17 HB THR 17 13.670 6.183 11.779 728 HG1 THR 17 HG1 THR 17 11.267 4.930 10.863 729 HG21 THR 17 HG21 THR 17 10.744 6.889 12.026 730 HG22 THR 17 HG22 THR 17 12.071 7.956 12.484 731 HG23 THR 17 HG23 THR 17 11.838 6.427 13.334 732 H GLU 18 HN GLU 18 14.872 5.990 9.183 733 HA GLU 18 HA GLU 18 16.715 7.945 10.083 734 HB2 GLU 18 HB2 GLU 18 16.986 5.819 7.949 735 HB3 GLU 18 HB1 GLU 18 18.322 6.806 8.526 736 HG2 GLU 18 HG2 GLU 18 17.253 5.788 10.845 737 HG3 GLU 18 HG1 GLU 18 17.088 4.455 9.704 738 H LEU 19 HN LEU 19 14.985 7.430 7.086 739 HA LEU 19 HA LEU 19 16.300 9.527 5.641 740 HB2 LEU 19 HB2 LEU 19 13.944 7.752 5.175 741 HB3 LEU 19 HB1 LEU 19 14.124 9.185 4.185 742 HG LEU 19 HG LEU 19 16.373 7.214 4.438 743 HD11 LEU 19 HD11 LEU 19 14.104 7.099 2.453 744 HD12 LEU 19 HD12 LEU 19 14.388 5.947 3.759 745 HD13 LEU 19 HD13 LEU 19 15.552 6.091 2.439 746 HD21 LEU 19 HD21 LEU 19 16.814 9.424 3.453 747 HD22 LEU 19 HD22 LEU 19 15.550 9.132 2.258 748 HD23 LEU 19 HD23 LEU 19 16.997 8.124 2.275 749 H GLN 20 HN GLN 20 14.124 9.524 8.130 750 HA GLN 20 HA GLN 20 12.781 11.059 9.114 751 HB2 GLN 20 HB2 GLN 20 14.238 12.987 7.293 752 HB3 GLN 20 HB1 GLN 20 13.256 13.440 8.680 753 HG2 GLN 20 HG2 GLN 20 15.607 11.608 8.976 754 HG3 GLN 20 HG1 GLN 20 15.806 13.359 8.946 755 HE21 GLN 20 HE21 GLN 20 14.607 10.635 10.739 756 HE22 GLN 20 HE22 GLN 20 14.317 11.489 12.218 757 H THR 21 HN THR 21 11.621 9.616 7.087 758 HA THR 21 HA THR 21 9.546 11.460 6.251 759 HB THR 21 HB THR 21 11.203 11.426 4.369 760 HG1 THR 21 HG1 THR 21 9.573 11.156 2.793 761 HG21 THR 21 HG21 THR 21 11.880 9.042 4.631 762 HG22 THR 21 HG22 THR 21 11.428 9.469 2.982 763 HG23 THR 21 HG23 THR 21 10.305 8.564 3.996 764 H THR 22 HN THR 22 8.019 9.840 4.694 765 HA THR 22 HA THR 22 7.450 7.584 6.505 766 HB THR 22 HB THR 22 5.092 7.790 5.695 767 HG1 THR 22 HG1 THR 22 5.713 10.391 4.784 768 HG21 THR 22 HG21 THR 22 4.534 9.724 7.070 769 HG22 THR 22 HG22 THR 22 6.206 10.278 7.001 770 HG23 THR 22 HG23 THR 22 5.808 8.777 7.837 771 H ILE 23 HN ILE 23 6.071 5.861 5.352 772 HA ILE 23 HA ILE 23 7.594 4.761 3.227 773 HB ILE 23 HB ILE 23 4.834 3.872 4.069 774 HG12 ILE 23 HG12 ILE 23 7.492 3.129 5.315 775 HG13 ILE 23 HG11 ILE 23 6.256 4.131 6.068 776 HG21 ILE 23 HG21 ILE 23 5.636 1.659 3.386 777 HG22 ILE 23 HG22 ILE 23 7.175 2.369 2.904 778 HG23 ILE 23 HG23 ILE 23 5.695 2.816 2.056 779 HD11 ILE 23 HD11 ILE 23 6.052 1.211 5.372 780 HD12 ILE 23 HD12 ILE 23 4.712 2.188 5.976 781 HD13 ILE 23 HD13 ILE 23 6.135 1.924 6.983 782 H HIS 24 HN HIS 24 4.970 6.937 3.331 783 HA HIS 24 HA HIS 24 3.908 6.309 0.733 784 HB2 HIS 24 HB2 HIS 24 3.377 8.947 2.036 785 HB3 HIS 24 HB1 HIS 24 2.282 7.903 1.140 786 HD1 HIS 24 HD1 HIS 24 1.149 5.921 2.520 787 HD2 HIS 24 HD2 HIS 24 3.440 8.584 4.747 788 HE1 HIS 24 HE1 HIS 24 0.605 5.478 4.946 789 H ASP 25 HN ASP 25 6.483 8.216 1.962 790 HA ASP 25 HA ASP 25 6.667 9.708 -0.569 791 HB2 ASP 25 HB2 ASP 25 6.536 11.188 1.321 792 HB3 ASP 25 HB1 ASP 25 7.806 10.308 2.164 793 H ILE 26 HN ILE 26 8.200 7.275 1.319 794 HA ILE 26 HA ILE 26 10.848 7.586 0.410 795 HB ILE 26 HB ILE 26 10.125 6.156 2.349 796 HG12 ILE 26 HG12 ILE 26 11.866 4.755 0.313 797 HG13 ILE 26 HG11 ILE 26 12.397 6.095 1.322 798 HG21 ILE 26 HG21 ILE 26 9.454 3.864 1.959 799 HG22 ILE 26 HG22 ILE 26 9.486 4.127 0.214 800 HG23 ILE 26 HG23 ILE 26 8.296 4.966 1.210 801 HD11 ILE 26 HD11 ILE 26 13.158 4.001 2.241 802 HD12 ILE 26 HD12 ILE 26 11.505 3.388 2.278 803 HD13 ILE 26 HD13 ILE 26 11.970 4.733 3.318 804 H ILE 27 HN ILE 27 11.904 6.926 -1.374 805 HA ILE 27 HA ILE 27 10.369 5.450 -3.408 806 HB ILE 27 HB ILE 27 12.345 7.683 -3.924 807 HG12 ILE 27 HG12 ILE 27 10.155 8.455 -3.020 808 HG13 ILE 27 HG11 ILE 27 10.461 9.006 -4.663 809 HG21 ILE 27 HG21 ILE 27 11.647 7.461 -6.269 810 HG22 ILE 27 HG22 ILE 27 10.660 6.067 -5.835 811 HG23 ILE 27 HG23 ILE 27 12.413 5.994 -5.661 812 HD11 ILE 27 HD11 ILE 27 9.013 7.160 -5.485 813 HD12 ILE 27 HD12 ILE 27 8.179 8.343 -4.483 814 HD13 ILE 27 HD13 ILE 27 8.628 6.780 -3.805 815 H LEU 28 HN LEU 28 11.315 3.683 -4.154 816 HA LEU 28 HA LEU 28 14.227 3.397 -3.936 817 HB2 LEU 28 HB2 LEU 28 12.166 1.765 -2.635 818 HB3 LEU 28 HB1 LEU 28 13.299 0.821 -3.583 819 HG LEU 28 HG LEU 28 15.131 2.101 -2.281 820 HD11 LEU 28 HD11 LEU 28 14.478 2.841 -0.052 821 HD12 LEU 28 HD12 LEU 28 12.784 2.533 -0.441 822 HD13 LEU 28 HD13 LEU 28 13.671 3.792 -1.303 823 HD21 LEU 28 HD21 LEU 28 14.714 -0.267 -2.005 824 HD22 LEU 28 HD22 LEU 28 13.360 0.075 -0.927 825 HD23 LEU 28 HD23 LEU 28 15.002 0.484 -0.432 826 H GLU 29 HN GLU 29 15.063 1.712 -5.422 827 HA GLU 29 HA GLU 29 13.322 1.457 -7.779 828 HB2 GLU 29 HB2 GLU 29 15.780 1.209 -8.856 829 HB3 GLU 29 HB1 GLU 29 14.938 2.745 -8.710 830 HG2 GLU 29 HG2 GLU 29 16.115 3.046 -6.502 831 HG3 GLU 29 HG1 GLU 29 17.099 1.648 -6.934 832 H CYS 30 HN CYS 30 13.654 -0.447 -9.115 833 HA CYS 30 HA CYS 30 13.784 -2.811 -7.566 834 HB2 CYS 30 HB2 CYS 30 12.412 -2.694 -9.582 835 HB3 CYS 30 HB1 CYS 30 13.850 -2.465 -10.571 836 H VAL 31 HN VAL 31 15.331 -4.249 -7.246 837 HA VAL 31 HA VAL 31 18.037 -3.491 -7.539 838 HB VAL 31 HB VAL 31 17.331 -4.844 -5.667 839 HG11 VAL 31 HG11 VAL 31 16.650 -7.191 -5.931 840 HG12 VAL 31 HG12 VAL 31 16.644 -6.973 -7.681 841 HG13 VAL 31 HG13 VAL 31 15.512 -6.069 -6.677 842 HG21 VAL 31 HG21 VAL 31 19.186 -6.380 -7.479 843 HG22 VAL 31 HG22 VAL 31 19.003 -6.646 -5.745 844 HG23 VAL 31 HG23 VAL 31 19.632 -5.112 -6.339 845 H TYR 32 HN TYR 32 15.882 -5.282 -9.593 846 HA TYR 32 HA TYR 32 18.179 -6.213 -11.178 847 HB2 TYR 32 HB2 TYR 32 15.325 -7.198 -11.141 848 HB3 TYR 32 HB1 TYR 32 16.576 -7.790 -12.232 849 HD1 TYR 32 HD2 TYR 32 18.825 -8.523 -10.937 850 HD2 TYR 32 HD1 TYR 32 14.919 -8.449 -9.253 851 HE1 TYR 32 HE2 TYR 32 19.532 -10.150 -9.236 852 HE2 TYR 32 HE1 TYR 32 15.620 -10.074 -7.547 853 HH TYR 32 HH TYR 32 17.313 -11.768 -7.200 854 H CYS 33 HN CYS 33 14.925 -4.794 -11.575 855 HA CYS 33 HA CYS 33 15.446 -4.166 -14.338 856 HB2 CYS 33 HB2 CYS 33 13.171 -3.013 -12.761 857 HB3 CYS 33 HB1 CYS 33 13.215 -3.501 -14.453 858 H LYS 34 HN LYS 34 15.893 -2.590 -11.321 859 HA LYS 34 HA LYS 34 16.718 -0.574 -10.706 860 HB2 LYS 34 HB2 LYS 34 17.538 -0.513 -13.605 861 HB3 LYS 34 HB1 LYS 34 17.925 0.790 -12.490 862 HG2 LYS 34 HG2 LYS 34 19.805 -0.358 -12.125 863 HG3 LYS 34 HG1 LYS 34 18.794 -1.383 -11.106 864 HD2 LYS 34 HD2 LYS 34 18.351 -2.808 -13.113 865 HD3 LYS 34 HD1 LYS 34 19.545 -1.847 -13.988 866 HE2 LYS 34 HE2 LYS 34 21.270 -2.512 -12.431 867 HE3 LYS 34 HE1 LYS 34 20.092 -3.379 -11.448 868 HZ1 LYS 34 HZ1 LYS 34 21.306 -4.905 -12.839 869 HZ2 LYS 34 HZ2 LYS 34 20.881 -4.045 -14.232 870 HZ3 LYS 34 HZ3 LYS 34 19.692 -4.854 -13.343 871 H GLN 35 HN GLN 35 13.964 -0.935 -11.912 872 HA GLN 35 HA GLN 35 13.359 1.740 -12.873 873 HB2 GLN 35 HB2 GLN 35 11.582 -0.655 -12.372 874 HB3 GLN 35 HB1 GLN 35 11.040 0.865 -13.070 875 HG2 GLN 35 HG2 GLN 35 13.146 -0.914 -14.278 876 HG3 GLN 35 HG1 GLN 35 11.444 -0.918 -14.736 877 HE21 GLN 35 HE21 GLN 35 14.438 0.822 -14.863 878 HE22 GLN 35 HE22 GLN 35 13.958 1.974 -16.058 879 H GLN 36 HN GLN 36 12.054 3.216 -11.774 880 HA GLN 36 HA GLN 36 12.328 3.188 -8.948 881 HB2 GLN 36 HB2 GLN 36 10.711 5.018 -10.728 882 HB3 GLN 36 HB1 GLN 36 11.034 5.292 -9.021 883 HG2 GLN 36 HG2 GLN 36 13.444 5.362 -9.516 884 HG3 GLN 36 HG1 GLN 36 13.073 5.173 -11.230 885 HE21 GLN 36 HE21 GLN 36 14.449 7.331 -9.916 886 HE22 GLN 36 HE22 GLN 36 13.540 8.767 -10.242 887 H LEU 37 HN LEU 37 11.088 2.252 -7.505 888 HA LEU 37 HA LEU 37 8.575 1.052 -8.294 889 HB2 LEU 37 HB2 LEU 37 10.485 0.770 -6.089 890 HB3 LEU 37 HB1 LEU 37 8.812 0.662 -5.584 891 HG LEU 37 HG LEU 37 8.506 -1.114 -7.363 892 HD11 LEU 37 HD11 LEU 37 10.433 -0.649 -8.731 893 HD12 LEU 37 HD12 LEU 37 10.563 -2.279 -8.072 894 HD13 LEU 37 HD13 LEU 37 11.516 -0.969 -7.377 895 HD21 LEU 37 HD21 LEU 37 8.686 -1.635 -4.986 896 HD22 LEU 37 HD22 LEU 37 10.445 -1.664 -5.120 897 HD23 LEU 37 HD23 LEU 37 9.475 -2.869 -5.968 898 H LEU 38 HN LEU 38 6.705 2.044 -8.131 899 HA LEU 38 HA LEU 38 6.413 4.560 -6.825 900 HB2 LEU 38 HB2 LEU 38 4.210 2.730 -7.779 901 HB3 LEU 38 HB1 LEU 38 4.113 4.463 -7.530 902 HG LEU 38 HG LEU 38 5.783 3.118 -9.659 903 HD11 LEU 38 HD11 LEU 38 3.160 4.585 -9.898 904 HD12 LEU 38 HD12 LEU 38 3.385 2.842 -10.057 905 HD13 LEU 38 HD13 LEU 38 4.121 3.937 -11.228 906 HD21 LEU 38 HD21 LEU 38 5.963 5.409 -10.564 907 HD22 LEU 38 HD22 LEU 38 6.730 5.232 -8.988 908 HD23 LEU 38 HD23 LEU 38 5.157 6.019 -9.119 909 H ARG 39 HN ARG 39 4.906 4.991 -5.048 910 HA ARG 39 HA ARG 39 5.350 3.422 -2.815 911 HB2 ARG 39 HB2 ARG 39 3.394 4.652 -1.783 912 HB3 ARG 39 HB1 ARG 39 4.679 5.652 -2.437 913 HG2 ARG 39 HG2 ARG 39 3.249 5.849 -4.530 914 HG3 ARG 39 HG1 ARG 39 1.943 5.164 -3.563 915 HD2 ARG 39 HD2 ARG 39 3.428 7.416 -2.359 916 HD3 ARG 39 HD1 ARG 39 2.422 7.795 -3.752 917 HE ARG 39 HE ARG 39 1.358 6.440 -1.348 918 HH11 ARG 39 HH11 ARG 39 1.179 8.963 -3.785 919 HH12 ARG 39 HH12 ARG 39 -0.397 9.498 -3.289 920 HH21 ARG 39 HH21 ARG 39 -0.726 7.156 -0.703 921 HH22 ARG 39 HH22 ARG 39 -1.465 8.485 -1.554 922 H ARG 40 HN ARG 40 3.012 2.992 -5.311 923 HA ARG 40 HA ARG 40 1.057 1.469 -4.010 924 HB2 ARG 40 HB2 ARG 40 0.867 2.322 -6.340 925 HB3 ARG 40 HB1 ARG 40 2.074 1.149 -6.847 926 HG2 ARG 40 HG2 ARG 40 0.508 -0.646 -6.015 927 HG3 ARG 40 HG1 ARG 40 -0.710 0.619 -5.846 928 HD2 ARG 40 HD2 ARG 40 -1.086 -0.367 -7.961 929 HD3 ARG 40 HD1 ARG 40 -0.288 1.171 -8.277 930 HE ARG 40 HE ARG 40 1.647 -0.881 -8.081 931 HH11 ARG 40 HH11 ARG 40 -0.919 0.211 -10.227 932 HH12 ARG 40 HH12 ARG 40 -0.144 -0.387 -11.656 933 HH21 ARG 40 HH21 ARG 40 2.669 -1.650 -9.957 934 HH22 ARG 40 HH22 ARG 40 1.889 -1.450 -11.506 935 H GLU 41 HN GLU 41 4.122 0.536 -5.505 936 HA GLU 41 HA GLU 41 3.774 -2.260 -4.878 937 HB2 GLU 41 HB2 GLU 41 6.447 -1.187 -5.641 938 HB3 GLU 41 HB1 GLU 41 5.637 -2.652 -6.172 939 HG2 GLU 41 HG2 GLU 41 4.866 0.118 -7.063 940 HG3 GLU 41 HG1 GLU 41 5.969 -0.934 -7.944 941 H VAL 42 HN VAL 42 5.458 0.525 -3.609 942 HA VAL 42 HA VAL 42 7.146 -0.761 -1.778 943 HB VAL 42 HB VAL 42 5.870 1.969 -1.486 944 HG11 VAL 42 HG11 VAL 42 7.776 2.487 -0.061 945 HG12 VAL 42 HG12 VAL 42 8.378 0.840 -0.248 946 HG13 VAL 42 HG13 VAL 42 6.856 1.130 0.594 947 HG21 VAL 42 HG21 VAL 42 7.934 2.819 -2.505 948 HG22 VAL 42 HG22 VAL 42 7.054 1.760 -3.604 949 HG23 VAL 42 HG23 VAL 42 8.484 1.163 -2.763 950 H TYR 43 HN TYR 43 3.772 0.248 -1.555 951 HA TYR 43 HA TYR 43 3.425 -0.292 1.200 952 HB2 TYR 43 HB2 TYR 43 1.431 -0.336 -1.074 953 HB3 TYR 43 HB1 TYR 43 0.988 -0.472 0.621 954 HD1 TYR 43 HD1 TYR 43 3.052 1.622 1.612 955 HD2 TYR 43 HD2 TYR 43 0.192 1.628 -1.540 956 HE1 TYR 43 HE1 TYR 43 2.904 4.073 1.755 957 HE2 TYR 43 HE2 TYR 43 0.039 4.073 -1.405 958 HH TYR 43 HH TYR 43 0.456 5.825 0.545 959 H ASP 44 HN ASP 44 3.032 -2.242 -1.710 960 HA ASP 44 HA ASP 44 2.009 -4.559 -0.464 961 HB2 ASP 44 HB2 ASP 44 2.123 -3.895 -2.982 962 HB3 ASP 44 HB1 ASP 44 3.721 -4.628 -2.938 963 H PHE 45 HN PHE 45 5.252 -3.428 -1.171 964 HA PHE 45 HA PHE 45 6.682 -5.739 -0.438 965 HB2 PHE 45 HB2 PHE 45 7.496 -3.680 -1.727 966 HB3 PHE 45 HB1 PHE 45 7.687 -2.906 -0.161 967 HD1 PHE 45 HD1 PHE 45 8.912 -5.566 -2.371 968 HD2 PHE 45 HD2 PHE 45 9.497 -3.486 1.295 969 HE1 PHE 45 HE1 PHE 45 11.159 -6.547 -2.174 970 HE2 PHE 45 HE2 PHE 45 11.742 -4.468 1.497 971 HZ PHE 45 HZ PHE 45 12.575 -6.000 -0.237 972 H ALA 46 HN ALA 46 5.467 -3.014 1.421 973 HA ALA 46 HA ALA 46 6.819 -3.847 3.843 974 HB1 ALA 46 HB1 ALA 46 6.465 -1.465 3.346 975 HB2 ALA 46 HB2 ALA 46 5.736 -1.942 4.880 976 HB3 ALA 46 HB3 ALA 46 4.723 -1.713 3.454 977 H PHE 47 HN PHE 47 3.727 -4.284 2.332 978 HA PHE 47 HA PHE 47 2.281 -5.041 4.659 979 HB2 PHE 47 HB2 PHE 47 1.369 -4.325 2.355 980 HB3 PHE 47 HB1 PHE 47 1.649 -5.996 1.872 981 HD1 PHE 47 HD1 PHE 47 0.013 -4.054 4.610 982 HD2 PHE 47 HD2 PHE 47 -0.068 -7.484 2.099 983 HE1 PHE 47 HE1 PHE 47 -2.166 -4.689 5.557 984 HE2 PHE 47 HE2 PHE 47 -2.248 -8.127 3.035 985 HZ PHE 47 HZ PHE 47 -3.301 -6.729 4.769 986 H ARG 48 HN ARG 48 4.181 -6.764 2.263 987 HA ARG 48 HA ARG 48 3.639 -9.337 3.502 988 HB2 ARG 48 HB2 ARG 48 5.630 -8.701 1.315 989 HB3 ARG 48 HB1 ARG 48 5.001 -10.284 1.747 990 HG2 ARG 48 HG2 ARG 48 2.767 -9.575 0.990 991 HG3 ARG 48 HG1 ARG 48 3.451 -8.022 0.499 992 HD2 ARG 48 HD2 ARG 48 5.139 -9.618 -0.792 993 HD3 ARG 48 HD1 ARG 48 3.763 -10.715 -0.716 994 HE ARG 48 HE ARG 48 2.914 -8.176 -1.636 995 HH11 ARG 48 HH11 ARG 48 4.712 -11.010 -2.691 996 HH12 ARG 48 HH12 ARG 48 4.387 -10.737 -4.374 997 HH21 ARG 48 HH21 ARG 48 2.483 -7.831 -3.855 998 HH22 ARG 48 HH22 ARG 48 3.122 -8.945 -5.034 999 H ASP 49 HN ASP 49 5.891 -10.678 3.627 1000 HA ASP 49 HA ASP 49 7.610 -9.085 5.408 1001 HB2 ASP 49 HB2 ASP 49 6.383 -11.026 6.425 1002 HB3 ASP 49 HB1 ASP 49 7.293 -12.092 5.362 1003 H LEU 50 HN LEU 50 8.887 -8.291 3.730 1004 HA LEU 50 HA LEU 50 10.647 -10.291 2.482 1005 HB2 LEU 50 HB2 LEU 50 9.729 -7.698 1.235 1006 HB3 LEU 50 HB1 LEU 50 10.782 -8.889 0.497 1007 HG LEU 50 HG LEU 50 7.995 -9.631 1.326 1008 HD11 LEU 50 HD11 LEU 50 8.842 -8.214 -1.186 1009 HD12 LEU 50 HD12 LEU 50 7.591 -7.739 -0.035 1010 HD13 LEU 50 HD13 LEU 50 7.355 -9.154 -1.061 1011 HD21 LEU 50 HD21 LEU 50 8.243 -11.294 -0.429 1012 HD22 LEU 50 HD22 LEU 50 9.570 -11.413 0.731 1013 HD23 LEU 50 HD23 LEU 50 9.834 -10.649 -0.838 1014 H CYS 51 HN CYS 51 12.761 -9.395 1.834 1015 HA CYS 51 HA CYS 51 13.665 -7.422 3.818 1016 HB2 CYS 51 HB2 CYS 51 15.401 -9.411 2.363 1017 HB3 CYS 51 HB1 CYS 51 15.799 -8.476 3.804 1018 HG CYS 51 HG CYS 51 15.051 -11.473 3.869 1019 H ILE 52 HN ILE 52 15.227 -5.882 3.194 1020 HA ILE 52 HA ILE 52 14.877 -4.964 0.475 1021 HB ILE 52 HB ILE 52 16.510 -3.725 2.700 1022 HG12 ILE 52 HG12 ILE 52 13.670 -3.143 1.836 1023 HG13 ILE 52 HG11 ILE 52 14.130 -3.988 3.311 1024 HG21 ILE 52 HG21 ILE 52 15.463 -2.611 0.098 1025 HG22 ILE 52 HG22 ILE 52 17.151 -2.903 0.520 1026 HG23 ILE 52 HG23 ILE 52 16.233 -1.656 1.365 1027 HD11 ILE 52 HD11 ILE 52 13.574 -1.731 3.834 1028 HD12 ILE 52 HD12 ILE 52 14.694 -1.120 2.617 1029 HD13 ILE 52 HD13 ILE 52 15.310 -1.946 4.049 1030 H VAL 53 HN VAL 53 16.231 -5.426 -1.115 1031 HA VAL 53 HA VAL 53 18.774 -6.704 -0.502 1032 HB VAL 53 HB VAL 53 17.599 -6.212 -3.240 1033 HG11 VAL 53 HG11 VAL 53 19.014 -8.100 -3.898 1034 HG12 VAL 53 HG12 VAL 53 19.636 -8.201 -2.251 1035 HG13 VAL 53 HG13 VAL 53 19.964 -6.771 -3.229 1036 HG21 VAL 53 HG21 VAL 53 17.202 -8.602 -1.442 1037 HG22 VAL 53 HG22 VAL 53 16.731 -8.507 -3.136 1038 HG23 VAL 53 HG23 VAL 53 15.966 -7.453 -1.950 1039 H TYR 54 HN TYR 54 20.498 -5.443 -0.241 1040 HA TYR 54 HA TYR 54 20.543 -2.812 -1.507 1041 HB2 TYR 54 HB2 TYR 54 22.142 -4.113 0.678 1042 HB3 TYR 54 HB1 TYR 54 22.713 -2.642 -0.098 1043 HD1 TYR 54 HD2 TYR 54 20.038 -4.080 1.999 1044 HD2 TYR 54 HD1 TYR 54 21.692 -0.526 0.350 1045 HE1 TYR 54 HE2 TYR 54 18.613 -2.734 3.486 1046 HE2 TYR 54 HE1 TYR 54 20.274 0.830 1.828 1047 HH TYR 54 HH TYR 54 18.445 -0.559 4.417 1048 H ARG 55 HN ARG 55 21.278 -2.784 -3.527 1049 HA ARG 55 HA ARG 55 23.224 -4.702 -4.455 1050 HB2 ARG 55 HB2 ARG 55 21.315 -2.950 -5.666 1051 HB3 ARG 55 HB1 ARG 55 22.901 -2.575 -6.327 1052 HG2 ARG 55 HG2 ARG 55 21.548 -5.267 -6.330 1053 HG3 ARG 55 HG1 ARG 55 21.768 -4.194 -7.710 1054 HD2 ARG 55 HD2 ARG 55 23.929 -5.589 -6.140 1055 HD3 ARG 55 HD1 ARG 55 23.399 -5.976 -7.774 1056 HE ARG 55 HE ARG 55 24.170 -3.445 -8.084 1057 HH11 ARG 55 HH11 ARG 55 25.729 -6.114 -6.438 1058 HH12 ARG 55 HH12 ARG 55 27.333 -5.542 -6.749 1059 HH21 ARG 55 HH21 ARG 55 26.285 -2.675 -8.487 1060 HH22 ARG 55 HH22 ARG 55 27.653 -3.569 -7.903 1061 H ASP 56 HN ASP 56 25.233 -4.445 -3.805 1062 HA ASP 56 HA ASP 56 27.307 -3.578 -3.526 1063 HB2 ASP 56 HB2 ASP 56 27.013 -2.541 -5.744 1064 HB3 ASP 56 HB1 ASP 56 26.245 -1.148 -4.989 1065 H GLY 57 HN GLY 57 25.461 -0.550 -3.329 1066 HA2 GLY 57 HA2 GLY 57 25.513 -0.560 -0.448 1067 HA3 GLY 57 HA1 GLY 57 26.644 0.575 -1.167 1068 H ASN 58 HN ASN 58 23.534 -0.250 -2.566 1069 HA ASN 58 HA ASN 58 22.483 2.362 -1.727 1070 HB2 ASN 58 HB2 ASN 58 23.405 2.478 -4.071 1071 HB3 ASN 58 HB1 ASN 58 22.211 1.276 -4.542 1072 HD21 ASN 58 HD21 ASN 58 20.050 1.869 -4.700 1073 HD22 ASN 58 HD22 ASN 58 19.533 3.518 -4.656 1074 HA PRO 59 HA PRO 59 18.944 -0.045 -0.545 1075 HB2 PRO 59 HB2 PRO 59 17.057 1.975 -0.778 1076 HB3 PRO 59 HB1 PRO 59 18.098 1.721 0.635 1077 HG2 PRO 59 HG2 PRO 59 18.408 3.642 -1.612 1078 HG3 PRO 59 HG1 PRO 59 18.735 3.858 0.120 1079 HD2 PRO 59 HD2 PRO 59 20.719 3.457 -1.629 1080 HD3 PRO 59 HD1 PRO 59 20.773 2.783 0.012 1081 H TYR 60 HN TYR 60 18.208 -1.505 -1.947 1082 HA TYR 60 HA TYR 60 16.722 -0.540 -4.285 1083 HB2 TYR 60 HB2 TYR 60 18.891 -2.575 -4.121 1084 HB3 TYR 60 HB1 TYR 60 17.551 -2.899 -5.217 1085 HD1 TYR 60 HD1 TYR 60 17.086 -1.360 -7.089 1086 HD2 TYR 60 HD2 TYR 60 20.534 -0.895 -4.640 1087 HE1 TYR 60 HE1 TYR 60 18.084 0.107 -8.782 1088 HE2 TYR 60 HE2 TYR 60 21.542 0.577 -6.338 1089 HH TYR 60 HH TYR 60 19.727 1.867 -8.929 1090 H ALA 61 HN ALA 61 14.924 -1.783 -4.882 1091 HA ALA 61 HA ALA 61 14.034 -3.694 -2.822 1092 HB1 ALA 61 HB1 ALA 61 12.788 -1.649 -2.567 1093 HB2 ALA 61 HB2 ALA 61 11.726 -2.882 -3.248 1094 HB3 ALA 61 HB3 ALA 61 12.400 -1.626 -4.286 1095 H VAL 62 HN VAL 62 12.014 -4.921 -3.782 1096 HA VAL 62 HA VAL 62 12.844 -5.933 -6.418 1097 HB VAL 62 HB VAL 62 11.150 -7.472 -4.452 1098 HG11 VAL 62 HG11 VAL 62 12.025 -9.408 -5.673 1099 HG12 VAL 62 HG12 VAL 62 12.955 -8.326 -6.711 1100 HG13 VAL 62 HG13 VAL 62 11.192 -8.278 -6.743 1101 HG21 VAL 62 HG21 VAL 62 13.200 -6.873 -3.275 1102 HG22 VAL 62 HG22 VAL 62 14.164 -7.495 -4.614 1103 HG23 VAL 62 HG23 VAL 62 13.174 -8.597 -3.656 1104 H CYS 63 HN CYS 63 11.474 -5.510 -8.048 1105 HA CYS 63 HA CYS 63 8.949 -4.279 -7.581 1106 HB2 CYS 63 HB2 CYS 63 8.690 -4.371 -10.035 1107 HB3 CYS 63 HB1 CYS 63 10.251 -3.712 -9.561 1108 H ASP 64 HN ASP 64 6.949 -5.124 -8.733 1109 HA ASP 64 HA ASP 64 6.144 -7.518 -7.544 1110 HB2 ASP 64 HB2 ASP 64 4.606 -5.708 -8.283 1111 HB3 ASP 64 HB1 ASP 64 4.906 -6.174 -9.955 1112 H LYS 65 HN LYS 65 7.641 -6.864 -10.602 1113 HA LYS 65 HA LYS 65 7.013 -9.321 -11.893 1114 HB2 LYS 65 HB2 LYS 65 9.440 -7.610 -12.425 1115 HB3 LYS 65 HB1 LYS 65 8.608 -8.676 -13.545 1116 HG2 LYS 65 HG2 LYS 65 7.005 -7.147 -14.028 1117 HG3 LYS 65 HG1 LYS 65 7.037 -6.439 -12.411 1118 HD2 LYS 65 HD2 LYS 65 7.912 -4.907 -14.150 1119 HD3 LYS 65 HD1 LYS 65 9.109 -5.292 -12.909 1120 HE2 LYS 65 HE2 LYS 65 9.834 -7.163 -14.544 1121 HE3 LYS 65 HE1 LYS 65 8.951 -6.228 -15.751 1122 HZ1 LYS 65 HZ1 LYS 65 11.214 -5.556 -15.807 1123 HZ2 LYS 65 HZ2 LYS 65 11.277 -5.334 -14.131 1124 HZ3 LYS 65 HZ3 LYS 65 10.348 -4.296 -15.091 1125 H CYS 66 HN CYS 66 10.042 -8.130 -10.426 1126 HA CYS 66 HA CYS 66 11.378 -10.611 -10.577 1127 HB2 CYS 66 HB2 CYS 66 11.948 -8.267 -8.759 1128 HB3 CYS 66 HB1 CYS 66 13.071 -9.557 -9.175 1129 H LEU 67 HN LEU 67 9.145 -9.326 -8.265 1130 HA LEU 67 HA LEU 67 9.842 -10.758 -5.982 1131 HB2 LEU 67 HB2 LEU 67 7.318 -9.570 -7.009 1132 HB3 LEU 67 HB1 LEU 67 7.210 -10.667 -5.645 1133 HG LEU 67 HG LEU 67 8.844 -8.125 -5.738 1134 HD11 LEU 67 HD11 LEU 67 6.248 -8.835 -4.397 1135 HD12 LEU 67 HD12 LEU 67 6.536 -7.570 -5.588 1136 HD13 LEU 67 HD13 LEU 67 7.212 -7.425 -3.968 1137 HD21 LEU 67 HD21 LEU 67 9.987 -9.651 -4.326 1138 HD22 LEU 67 HD22 LEU 67 8.482 -10.217 -3.607 1139 HD23 LEU 67 HD23 LEU 67 9.063 -8.590 -3.264 1140 H LYS 68 HN LYS 68 7.896 -11.742 -8.741 1141 HA LYS 68 HA LYS 68 7.292 -14.306 -7.562 1142 HB2 LYS 68 HB2 LYS 68 6.590 -12.902 -10.094 1143 HB3 LYS 68 HB1 LYS 68 6.457 -14.656 -10.053 1144 HG2 LYS 68 HG2 LYS 68 4.767 -14.622 -8.476 1145 HG3 LYS 68 HG1 LYS 68 5.210 -13.018 -7.889 1146 HD2 LYS 68 HD2 LYS 68 4.093 -13.532 -10.636 1147 HD3 LYS 68 HD1 LYS 68 3.090 -13.132 -9.240 1148 HE2 LYS 68 HE2 LYS 68 4.728 -11.125 -8.989 1149 HE3 LYS 68 HE1 LYS 68 5.089 -11.439 -10.683 1150 HZ1 LYS 68 HZ1 LYS 68 2.812 -11.090 -11.243 1151 HZ2 LYS 68 HZ2 LYS 68 3.334 -9.768 -10.320 1152 HZ3 LYS 68 HZ3 LYS 68 2.365 -10.966 -9.613 1153 H PHE 69 HN PHE 69 9.710 -12.949 -9.628 1154 HA PHE 69 HA PHE 69 10.560 -15.449 -10.761 1155 HB2 PHE 69 HB2 PHE 69 11.600 -12.637 -10.858 1156 HB3 PHE 69 HB1 PHE 69 12.591 -13.968 -11.436 1157 HD1 PHE 69 HD1 PHE 69 8.915 -13.587 -11.754 1158 HD2 PHE 69 HD2 PHE 69 12.685 -13.574 -13.729 1159 HE1 PHE 69 HE1 PHE 69 7.767 -13.475 -13.927 1160 HE2 PHE 69 HE2 PHE 69 11.544 -13.463 -15.908 1161 HZ PHE 69 HZ PHE 69 9.081 -13.417 -16.011 1162 H TYR 70 HN TYR 70 11.743 -13.328 -8.181 1163 HA TYR 70 HA TYR 70 13.696 -15.421 -7.481 1164 HB2 TYR 70 HB2 TYR 70 13.827 -12.421 -7.202 1165 HB3 TYR 70 HB1 TYR 70 14.890 -13.488 -6.292 1166 HD1 TYR 70 HD1 TYR 70 14.014 -12.274 -9.652 1167 HD2 TYR 70 HD2 TYR 70 16.715 -14.637 -7.366 1168 HE1 TYR 70 HE1 TYR 70 15.549 -12.369 -11.571 1169 HE2 TYR 70 HE2 TYR 70 18.257 -14.735 -9.278 1170 HH TYR 70 HH TYR 70 17.887 -12.751 -12.042 Start of MODEL 8 1 H MET 1 HT1 MET 1 -25.073 -3.044 -1.652 2 HA MET 1 HA MET 1 -26.937 -2.812 -0.212 3 HB2 MET 1 HB2 MET 1 -28.311 -4.847 0.316 4 HB3 MET 1 HB1 MET 1 -28.547 -4.201 -1.298 5 HG2 MET 1 HG2 MET 1 -27.186 -5.941 -2.250 6 HG3 MET 1 HG1 MET 1 -26.778 -6.546 -0.646 7 HE1 MET 1 HE1 MET 1 -29.906 -8.335 0.572 8 HE2 MET 1 HE2 MET 1 -29.161 -6.816 1.070 9 HE3 MET 1 HE3 MET 1 -28.149 -8.205 0.680 10 H PHE 2 HN PHE 2 -26.089 -2.703 1.742 11 HA PHE 2 HA PHE 2 -24.673 -5.017 2.840 12 HB2 PHE 2 HB2 PHE 2 -23.181 -3.109 1.750 13 HB3 PHE 2 HB1 PHE 2 -23.484 -2.313 3.289 14 HD1 PHE 2 HD1 PHE 2 -22.600 -5.755 2.138 15 HD2 PHE 2 HD2 PHE 2 -21.811 -2.554 4.825 16 HE1 PHE 2 HE1 PHE 2 -20.781 -7.063 3.151 17 HE2 PHE 2 HE2 PHE 2 -19.991 -3.855 5.847 18 HZ PHE 2 HZ PHE 2 -19.475 -6.114 5.006 19 H GLN 3 HN GLN 3 -26.606 -5.229 4.081 20 HA GLN 3 HA GLN 3 -26.926 -3.201 6.193 21 HB2 GLN 3 HB2 GLN 3 -28.984 -5.300 5.552 22 HB3 GLN 3 HB1 GLN 3 -29.200 -3.768 6.382 23 HG2 GLN 3 HG2 GLN 3 -30.051 -3.099 4.429 24 HG3 GLN 3 HG1 GLN 3 -28.362 -2.909 3.965 25 HE21 GLN 3 HE21 GLN 3 -31.209 -4.869 3.662 26 HE22 GLN 3 HE22 GLN 3 -30.664 -5.811 2.319 27 H ASP 4 HN ASP 4 -28.486 -4.919 7.881 28 HA ASP 4 HA ASP 4 -26.452 -6.096 9.423 29 HB2 ASP 4 HB2 ASP 4 -28.071 -6.059 10.967 30 HB3 ASP 4 HB1 ASP 4 -29.186 -5.493 9.733 31 HA PRO 5 HA PRO 5 -26.672 -7.960 11.106 32 HB2 PRO 5 HB2 PRO 5 -24.740 -9.788 11.587 33 HB3 PRO 5 HB1 PRO 5 -26.461 -10.215 11.552 34 HG2 PRO 5 HG2 PRO 5 -24.390 -10.582 9.443 35 HG3 PRO 5 HG1 PRO 5 -25.670 -11.690 9.977 36 HD2 PRO 5 HD2 PRO 5 -25.876 -10.162 7.741 37 HD3 PRO 5 HD1 PRO 5 -27.274 -10.664 8.710 38 H GLN 6 HN GLN 6 -24.766 -7.529 8.382 39 HA GLN 6 HA GLN 6 -22.267 -6.894 9.516 40 HB2 GLN 6 HB2 GLN 6 -23.627 -5.991 6.981 41 HB3 GLN 6 HB1 GLN 6 -22.015 -5.450 7.420 42 HG2 GLN 6 HG2 GLN 6 -21.652 -7.233 5.969 43 HG3 GLN 6 HG1 GLN 6 -21.403 -7.919 7.571 44 HE21 GLN 6 HE21 GLN 6 -24.561 -7.209 6.227 45 HE22 GLN 6 HE22 GLN 6 -25.061 -8.857 6.055 46 H GLU 7 HN GLU 7 -21.623 -5.226 10.684 47 HA GLU 7 HA GLU 7 -23.538 -3.201 11.441 48 HB2 GLU 7 HB2 GLU 7 -22.061 -4.259 13.113 49 HB3 GLU 7 HB1 GLU 7 -20.657 -3.595 12.291 50 HG2 GLU 7 HG2 GLU 7 -21.261 -2.329 14.291 51 HG3 GLU 7 HG1 GLU 7 -21.359 -1.349 12.830 52 H ARG 8 HN ARG 8 -21.210 -3.565 9.060 53 HA ARG 8 HA ARG 8 -20.316 -2.170 7.499 54 HB2 ARG 8 HB2 ARG 8 -22.276 -0.079 8.465 55 HB3 ARG 8 HB1 ARG 8 -21.493 -0.160 6.895 56 HG2 ARG 8 HG2 ARG 8 -23.074 -1.490 6.072 57 HG3 ARG 8 HG1 ARG 8 -23.025 -2.554 7.479 58 HD2 ARG 8 HD2 ARG 8 -24.491 0.079 7.298 59 HD3 ARG 8 HD1 ARG 8 -25.229 -1.518 7.208 60 HE ARG 8 HE ARG 8 -23.729 -0.716 9.610 61 HH11 ARG 8 HH11 ARG 8 -26.744 -1.620 8.079 62 HH12 ARG 8 HH12 ARG 8 -27.557 -1.941 9.574 63 HH21 ARG 8 HH21 ARG 8 -24.777 -1.147 11.594 64 HH22 ARG 8 HH22 ARG 8 -26.428 -1.688 11.586 65 HA PRO 9 HA PRO 9 -17.883 -0.182 10.932 66 HB2 PRO 9 HB2 PRO 9 -15.494 -1.269 10.156 67 HB3 PRO 9 HB1 PRO 9 -16.611 -2.065 11.282 68 HG2 PRO 9 HG2 PRO 9 -16.188 -2.563 8.381 69 HG3 PRO 9 HG1 PRO 9 -16.477 -3.716 9.698 70 HD2 PRO 9 HD2 PRO 9 -18.414 -2.952 7.966 71 HD3 PRO 9 HD1 PRO 9 -18.746 -3.412 9.649 72 H ARG 10 HN ARG 10 -16.368 1.512 10.760 73 HA ARG 10 HA ARG 10 -16.299 2.714 8.109 74 HB2 ARG 10 HB2 ARG 10 -16.155 3.698 10.875 75 HB3 ARG 10 HB1 ARG 10 -15.069 4.517 9.758 76 HG2 ARG 10 HG2 ARG 10 -17.178 5.692 9.899 77 HG3 ARG 10 HG1 ARG 10 -16.966 5.013 8.285 78 HD2 ARG 10 HD2 ARG 10 -18.335 3.025 9.133 79 HD3 ARG 10 HD1 ARG 10 -18.762 4.057 10.497 80 HE ARG 10 HE ARG 10 -19.283 5.480 8.159 81 HH11 ARG 10 HH11 ARG 10 -20.445 2.612 9.801 82 HH12 ARG 10 HH12 ARG 10 -22.056 2.748 9.169 83 HH21 ARG 10 HH21 ARG 10 -21.400 5.647 7.306 84 HH22 ARG 10 HH22 ARG 10 -22.592 4.465 7.747 85 H LYS 11 HN LYS 11 -14.473 0.539 9.595 86 HA LYS 11 HA LYS 11 -11.970 1.647 8.532 87 HB2 LYS 11 HB2 LYS 11 -12.505 -0.070 10.921 88 HB3 LYS 11 HB1 LYS 11 -10.962 -0.211 10.090 89 HG2 LYS 11 HG2 LYS 11 -12.112 2.275 11.340 90 HG3 LYS 11 HG1 LYS 11 -10.754 1.317 11.933 91 HD2 LYS 11 HD2 LYS 11 -9.561 1.834 9.795 92 HD3 LYS 11 HD1 LYS 11 -10.873 2.940 9.393 93 HE2 LYS 11 HE2 LYS 11 -10.395 4.102 11.587 94 HE3 LYS 11 HE1 LYS 11 -8.929 3.125 11.679 95 HZ1 LYS 11 HZ1 LYS 11 -8.291 4.048 9.493 96 HZ2 LYS 11 HZ2 LYS 11 -8.392 5.228 10.705 97 HZ3 LYS 11 HZ3 LYS 11 -9.633 5.079 9.554 98 H LEU 12 HN LEU 12 -11.066 0.667 6.905 99 HA LEU 12 HA LEU 12 -12.267 -1.275 5.378 100 HB2 LEU 12 HB2 LEU 12 -10.532 0.302 4.616 101 HB3 LEU 12 HB1 LEU 12 -9.325 -0.644 5.464 102 HG LEU 12 HG LEU 12 -10.183 -2.603 3.982 103 HD11 LEU 12 HD11 LEU 12 -11.007 -0.239 2.305 104 HD12 LEU 12 HD12 LEU 12 -12.118 -1.362 3.090 105 HD13 LEU 12 HD13 LEU 12 -11.032 -1.933 1.824 106 HD21 LEU 12 HD21 LEU 12 -8.617 -1.863 2.175 107 HD22 LEU 12 HD22 LEU 12 -7.957 -1.802 3.808 108 HD23 LEU 12 HD23 LEU 12 -8.483 -0.319 3.012 109 HA PRO 13 HA PRO 13 -9.042 -4.569 7.230 110 HB2 PRO 13 HB2 PRO 13 -8.902 -4.112 10.008 111 HB3 PRO 13 HB1 PRO 13 -7.601 -3.858 8.831 112 HG2 PRO 13 HG2 PRO 13 -9.467 -1.893 10.027 113 HG3 PRO 13 HG1 PRO 13 -7.773 -1.701 9.538 114 HD2 PRO 13 HD2 PRO 13 -9.751 -0.684 8.061 115 HD3 PRO 13 HD1 PRO 13 -8.306 -1.392 7.309 116 H GLN 14 HN GLN 14 -11.680 -3.122 9.087 117 HA GLN 14 HA GLN 14 -12.571 -5.670 10.096 118 HB2 GLN 14 HB2 GLN 14 -12.842 -3.198 11.060 119 HB3 GLN 14 HB1 GLN 14 -14.345 -3.287 10.159 120 HG2 GLN 14 HG2 GLN 14 -15.001 -5.266 11.386 121 HG3 GLN 14 HG1 GLN 14 -13.469 -5.257 12.258 122 HE21 GLN 14 HE21 GLN 14 -13.403 -2.375 12.558 123 HE22 GLN 14 HE22 GLN 14 -14.598 -1.982 13.746 124 H LEU 15 HN LEU 15 -13.456 -3.442 7.529 125 HA LEU 15 HA LEU 15 -15.903 -4.581 6.779 126 HB2 LEU 15 HB2 LEU 15 -15.237 -2.425 5.945 127 HB3 LEU 15 HB1 LEU 15 -13.828 -3.109 5.157 128 HG LEU 15 HG LEU 15 -15.344 -4.366 3.632 129 HD11 LEU 15 HD11 LEU 15 -17.492 -2.707 4.937 130 HD12 LEU 15 HD12 LEU 15 -17.310 -4.457 5.064 131 HD13 LEU 15 HD13 LEU 15 -17.696 -3.720 3.507 132 HD21 LEU 15 HD21 LEU 15 -15.790 -2.541 2.205 133 HD22 LEU 15 HD22 LEU 15 -14.358 -2.093 3.134 134 HD23 LEU 15 HD23 LEU 15 -15.932 -1.423 3.559 135 H CYS 16 HN CYS 16 -12.596 -5.428 5.988 136 HA CYS 16 HA CYS 16 -13.067 -7.212 3.892 137 HB2 CYS 16 HB2 CYS 16 -10.907 -7.414 6.000 138 HB3 CYS 16 HB1 CYS 16 -10.874 -8.137 4.395 139 HG CYS 16 HG CYS 16 -10.960 -4.760 4.938 140 H THR 17 HN THR 17 -13.143 -7.678 7.391 141 HA THR 17 HA THR 17 -13.522 -10.486 7.307 142 HB THR 17 HB THR 17 -14.563 -8.843 9.582 143 HG1 THR 17 HG1 THR 17 -12.690 -7.843 9.645 144 HG21 THR 17 HG21 THR 17 -12.884 -11.355 9.462 145 HG22 THR 17 HG22 THR 17 -14.637 -11.316 9.649 146 HG23 THR 17 HG23 THR 17 -13.600 -10.641 10.907 147 H GLU 18 HN GLU 18 -15.700 -7.717 7.324 148 HA GLU 18 HA GLU 18 -18.105 -9.142 7.750 149 HB2 GLU 18 HB2 GLU 18 -17.629 -6.494 6.365 150 HB3 GLU 18 HB1 GLU 18 -19.205 -7.108 6.846 151 HG2 GLU 18 HG2 GLU 18 -17.233 -7.028 9.007 152 HG3 GLU 18 HG1 GLU 18 -17.639 -5.453 8.330 153 H LEU 19 HN LEU 19 -16.315 -8.245 4.846 154 HA LEU 19 HA LEU 19 -18.314 -9.440 3.112 155 HB2 LEU 19 HB2 LEU 19 -15.769 -7.931 2.679 156 HB3 LEU 19 HB1 LEU 19 -16.431 -8.894 1.371 157 HG LEU 19 HG LEU 19 -17.980 -6.725 2.786 158 HD11 LEU 19 HD11 LEU 19 -16.459 -6.594 0.189 159 HD12 LEU 19 HD12 LEU 19 -16.038 -5.757 1.684 160 HD13 LEU 19 HD13 LEU 19 -17.523 -5.340 0.829 161 HD21 LEU 19 HD21 LEU 19 -19.368 -8.399 1.699 162 HD22 LEU 19 HD22 LEU 19 -18.450 -8.211 0.205 163 HD23 LEU 19 HD23 LEU 19 -19.428 -6.876 0.811 164 H GLN 20 HN GLN 20 -16.006 -10.647 5.033 165 HA GLN 20 HA GLN 20 -14.871 -12.602 5.206 166 HB2 GLN 20 HB2 GLN 20 -16.844 -13.511 3.103 167 HB3 GLN 20 HB1 GLN 20 -15.883 -14.559 4.135 168 HG2 GLN 20 HG2 GLN 20 -17.709 -12.546 5.354 169 HG3 GLN 20 HG1 GLN 20 -18.361 -14.059 4.729 170 HE21 GLN 20 HE21 GLN 20 -16.352 -12.575 7.145 171 HE22 GLN 20 HE22 GLN 20 -16.218 -13.962 8.171 172 H THR 21 HN THR 21 -13.422 -10.896 3.766 173 HA THR 21 HA THR 21 -11.980 -12.665 1.992 174 HB THR 21 HB THR 21 -13.655 -11.544 0.496 175 HG1 THR 21 HG1 THR 21 -12.112 -11.135 -1.101 176 HG21 THR 21 HG21 THR 21 -13.797 -9.376 1.589 177 HG22 THR 21 HG22 THR 21 -13.281 -9.175 -0.086 178 HG23 THR 21 HG23 THR 21 -12.102 -9.057 1.220 179 H THR 22 HN THR 22 -10.100 -11.009 0.963 180 HA THR 22 HA THR 22 -8.955 -9.786 3.389 181 HB THR 22 HB THR 22 -6.732 -10.186 2.305 182 HG1 THR 22 HG1 THR 22 -8.072 -12.009 0.600 183 HG21 THR 22 HG21 THR 22 -6.637 -12.555 2.850 184 HG22 THR 22 HG22 THR 22 -8.393 -12.667 2.752 185 HG23 THR 22 HG23 THR 22 -7.641 -11.708 4.026 186 H ILE 23 HN ILE 23 -7.272 -8.097 2.887 187 HA ILE 23 HA ILE 23 -8.448 -5.951 1.476 188 HB ILE 23 HB ILE 23 -5.547 -6.110 2.288 189 HG12 ILE 23 HG12 ILE 23 -7.861 -5.278 4.050 190 HG13 ILE 23 HG11 ILE 23 -7.075 -6.850 4.143 191 HG21 ILE 23 HG21 ILE 23 -5.740 -3.712 2.581 192 HG22 ILE 23 HG22 ILE 23 -7.454 -3.777 2.170 193 HG23 ILE 23 HG23 ILE 23 -6.239 -4.164 0.951 194 HD11 ILE 23 HD11 ILE 23 -5.737 -4.197 4.618 195 HD12 ILE 23 HD12 ILE 23 -4.978 -5.785 4.752 196 HD13 ILE 23 HD13 ILE 23 -6.270 -5.328 5.864 197 H HIS 24 HN HIS 24 -6.521 -8.552 0.464 198 HA HIS 24 HA HIS 24 -5.435 -7.170 -1.859 199 HB2 HIS 24 HB2 HIS 24 -5.120 -10.070 -1.063 200 HB3 HIS 24 HB1 HIS 24 -4.178 -9.201 -2.269 201 HD1 HIS 24 HD1 HIS 24 -2.422 -7.432 -1.330 202 HD2 HIS 24 HD2 HIS 24 -4.290 -9.794 1.541 203 HE1 HIS 24 HE1 HIS 24 -1.076 -7.168 0.798 204 H ASP 25 HN ASP 25 -8.343 -8.413 -1.156 205 HA ASP 25 HA ASP 25 -8.780 -9.250 -3.940 206 HB2 ASP 25 HB2 ASP 25 -8.681 -11.285 -2.626 207 HB3 ASP 25 HB1 ASP 25 -9.842 -10.636 -1.475 208 H ILE 26 HN ILE 26 -9.998 -7.689 -1.071 209 HA ILE 26 HA ILE 26 -12.657 -7.314 -1.934 210 HB ILE 26 HB ILE 26 -12.033 -7.027 0.405 211 HG12 ILE 26 HG12 ILE 26 -13.049 -4.428 -0.759 212 HG13 ILE 26 HG11 ILE 26 -14.032 -5.866 -0.507 213 HG21 ILE 26 HG21 ILE 26 -10.761 -5.149 1.206 214 HG22 ILE 26 HG22 ILE 26 -10.608 -4.508 -0.429 215 HG23 ILE 26 HG23 ILE 26 -9.810 -6.019 0.004 216 HD11 ILE 26 HD11 ILE 26 -14.385 -4.270 1.271 217 HD12 ILE 26 HD12 ILE 26 -12.657 -4.257 1.633 218 HD13 ILE 26 HD13 ILE 26 -13.604 -5.722 1.898 219 H ILE 27 HN ILE 27 -13.524 -5.979 -3.369 220 HA ILE 27 HA ILE 27 -11.848 -3.813 -4.448 221 HB ILE 27 HB ILE 27 -13.943 -5.458 -5.880 222 HG12 ILE 27 HG12 ILE 27 -11.789 -6.609 -5.600 223 HG13 ILE 27 HG11 ILE 27 -12.074 -6.205 -7.287 224 HG21 ILE 27 HG21 ILE 27 -13.340 -4.163 -7.886 225 HG22 ILE 27 HG22 ILE 27 -12.317 -3.126 -6.893 226 HG23 ILE 27 HG23 ILE 27 -14.060 -3.159 -6.629 227 HD11 ILE 27 HD11 ILE 27 -10.613 -4.203 -6.951 228 HD12 ILE 27 HD12 ILE 27 -9.798 -5.762 -6.810 229 HD13 ILE 27 HD13 ILE 27 -10.215 -4.849 -5.360 230 H LEU 28 HN LEU 28 -12.617 -1.828 -4.274 231 HA LEU 28 HA LEU 28 -15.487 -1.434 -3.786 232 HB2 LEU 28 HB2 LEU 28 -13.265 -0.816 -2.026 233 HB3 LEU 28 HB1 LEU 28 -14.158 0.633 -2.442 234 HG LEU 28 HG LEU 28 -16.255 -0.585 -1.700 235 HD11 LEU 28 HD11 LEU 28 -15.989 -2.479 -0.218 236 HD12 LEU 28 HD12 LEU 28 -14.244 -2.463 -0.474 237 HD13 LEU 28 HD13 LEU 28 -15.326 -2.858 -1.809 238 HD21 LEU 28 HD21 LEU 28 -15.283 1.119 -0.327 239 HD22 LEU 28 HD22 LEU 28 -14.063 0.002 0.281 240 HD23 LEU 28 HD23 LEU 28 -15.757 -0.229 0.706 241 H GLU 29 HN GLU 29 -16.337 0.530 -4.580 242 HA GLU 29 HA GLU 29 -14.617 1.818 -6.581 243 HB2 GLU 29 HB2 GLU 29 -16.752 2.536 -7.657 244 HB3 GLU 29 HB1 GLU 29 -16.529 0.793 -7.609 245 HG2 GLU 29 HG2 GLU 29 -18.007 1.928 -5.341 246 HG3 GLU 29 HG1 GLU 29 -18.802 2.070 -6.907 247 H CYS 30 HN CYS 30 -14.936 4.140 -6.921 248 HA CYS 30 HA CYS 30 -14.805 5.566 -4.484 249 HB2 CYS 30 HB2 CYS 30 -13.573 6.316 -6.459 250 HB3 CYS 30 HB1 CYS 30 -15.084 6.580 -7.325 251 H VAL 31 HN VAL 31 -16.218 6.950 -3.523 252 HA VAL 31 HA VAL 31 -18.985 6.387 -3.837 253 HB VAL 31 HB VAL 31 -18.105 6.895 -1.646 254 HG11 VAL 31 HG11 VAL 31 -17.370 9.179 -1.049 255 HG12 VAL 31 HG12 VAL 31 -17.429 9.611 -2.758 256 HG13 VAL 31 HG13 VAL 31 -16.297 8.379 -2.199 257 HG21 VAL 31 HG21 VAL 31 -20.456 7.489 -2.147 258 HG22 VAL 31 HG22 VAL 31 -19.935 9.139 -2.482 259 HG23 VAL 31 HG23 VAL 31 -19.748 8.466 -0.863 260 H TYR 32 HN TYR 32 -16.881 8.903 -5.062 261 HA TYR 32 HA TYR 32 -19.233 10.351 -6.059 262 HB2 TYR 32 HB2 TYR 32 -16.368 11.278 -5.772 263 HB3 TYR 32 HB1 TYR 32 -17.671 12.242 -6.461 264 HD1 TYR 32 HD2 TYR 32 -19.870 12.240 -4.836 265 HD2 TYR 32 HD1 TYR 32 -15.823 11.779 -3.587 266 HE1 TYR 32 HE2 TYR 32 -20.480 13.021 -2.586 267 HE2 TYR 32 HE1 TYR 32 -16.428 12.556 -1.333 268 HH TYR 32 HH TYR 32 -18.123 13.801 -0.205 269 H CYS 33 HN CYS 33 -16.079 9.099 -7.145 270 HA CYS 33 HA CYS 33 -16.710 9.694 -9.902 271 HB2 CYS 33 HB2 CYS 33 -14.437 7.947 -9.008 272 HB3 CYS 33 HB1 CYS 33 -14.524 9.017 -10.402 273 H LYS 34 HN LYS 34 -17.050 7.024 -7.752 274 HA LYS 34 HA LYS 34 -17.931 4.948 -7.945 275 HB2 LYS 34 HB2 LYS 34 -18.978 6.064 -10.550 276 HB3 LYS 34 HB1 LYS 34 -19.407 4.474 -9.931 277 HG2 LYS 34 HG2 LYS 34 -21.128 5.529 -8.985 278 HG3 LYS 34 HG1 LYS 34 -19.949 6.068 -7.788 279 HD2 LYS 34 HD2 LYS 34 -19.532 8.066 -9.247 280 HD3 LYS 34 HD1 LYS 34 -20.901 7.552 -10.232 281 HE2 LYS 34 HE2 LYS 34 -22.354 7.699 -8.258 282 HE3 LYS 34 HE1 LYS 34 -20.980 8.239 -7.297 283 HZ1 LYS 34 HZ1 LYS 34 -22.167 10.154 -7.934 284 HZ2 LYS 34 HZ2 LYS 34 -22.281 9.654 -9.545 285 HZ3 LYS 34 HZ3 LYS 34 -20.783 10.123 -8.916 286 H GLN 35 HN GLN 35 -15.258 5.678 -9.129 287 HA GLN 35 HA GLN 35 -14.942 3.687 -11.219 288 HB2 GLN 35 HB2 GLN 35 -12.995 5.600 -9.925 289 HB3 GLN 35 HB1 GLN 35 -12.533 4.435 -11.158 290 HG2 GLN 35 HG2 GLN 35 -14.281 6.851 -11.416 291 HG3 GLN 35 HG1 GLN 35 -12.836 6.423 -12.329 292 HE21 GLN 35 HE21 GLN 35 -16.234 6.204 -12.121 293 HE22 GLN 35 HE22 GLN 35 -16.491 5.244 -13.540 294 H GLN 36 HN GLN 36 -13.730 1.816 -11.026 295 HA GLN 36 HA GLN 36 -13.769 0.585 -8.459 296 HB2 GLN 36 HB2 GLN 36 -12.472 -0.345 -11.025 297 HB3 GLN 36 HB1 GLN 36 -12.748 -1.338 -9.602 298 HG2 GLN 36 HG2 GLN 36 -15.123 -1.180 -9.879 299 HG3 GLN 36 HG1 GLN 36 -14.934 -0.022 -11.194 300 HE21 GLN 36 HE21 GLN 36 -12.944 -2.868 -10.732 301 HE22 GLN 36 HE22 GLN 36 -13.484 -3.709 -12.138 302 H LEU 37 HN LEU 37 -12.345 0.997 -6.907 303 HA LEU 37 HA LEU 37 -9.823 2.214 -7.387 304 HB2 LEU 37 HB2 LEU 37 -11.300 1.200 -5.030 305 HB3 LEU 37 HB1 LEU 37 -9.556 1.251 -4.875 306 HG LEU 37 HG LEU 37 -9.691 3.695 -5.560 307 HD11 LEU 37 HD11 LEU 37 -11.928 3.643 -6.532 308 HD12 LEU 37 HD12 LEU 37 -11.832 4.810 -5.215 309 HD13 LEU 37 HD13 LEU 37 -12.609 3.249 -4.957 310 HD21 LEU 37 HD21 LEU 37 -10.394 4.407 -3.295 311 HD22 LEU 37 HD22 LEU 37 -9.262 3.054 -3.281 312 HD23 LEU 37 HD23 LEU 37 -10.979 2.769 -2.999 313 H LEU 38 HN LEU 38 -7.837 1.356 -7.577 314 HA LEU 38 HA LEU 38 -7.605 -1.413 -8.245 315 HB2 LEU 38 HB2 LEU 38 -5.330 0.507 -7.778 316 HB3 LEU 38 HB1 LEU 38 -5.338 -0.929 -8.783 317 HG LEU 38 HG LEU 38 -6.990 1.524 -9.376 318 HD11 LEU 38 HD11 LEU 38 -4.329 0.729 -10.547 319 HD12 LEU 38 HD12 LEU 38 -4.596 2.062 -9.424 320 HD13 LEU 38 HD13 LEU 38 -5.320 2.105 -11.031 321 HD21 LEU 38 HD21 LEU 38 -7.191 0.540 -11.593 322 HD22 LEU 38 HD22 LEU 38 -7.807 -0.562 -10.362 323 HD23 LEU 38 HD23 LEU 38 -6.221 -0.841 -11.080 324 H ARG 39 HN ARG 39 -6.044 -2.878 -7.224 325 HA ARG 39 HA ARG 39 -6.524 -3.287 -4.538 326 HB2 ARG 39 HB2 ARG 39 -4.631 -4.879 -4.587 327 HB3 ARG 39 HB1 ARG 39 -5.717 -5.070 -5.954 328 HG2 ARG 39 HG2 ARG 39 -4.169 -3.963 -7.415 329 HG3 ARG 39 HG1 ARG 39 -3.119 -3.556 -6.058 330 HD2 ARG 39 HD2 ARG 39 -2.704 -5.931 -5.662 331 HD3 ARG 39 HD1 ARG 39 -3.760 -6.341 -7.014 332 HE ARG 39 HE ARG 39 -1.623 -4.570 -7.748 333 HH11 ARG 39 HH11 ARG 39 -2.475 -7.926 -7.225 334 HH12 ARG 39 HH12 ARG 39 -1.248 -8.533 -8.291 335 HH21 ARG 39 HH21 ARG 39 -0.021 -5.354 -9.148 336 HH22 ARG 39 HH22 ARG 39 0.156 -7.067 -9.386 337 H ARG 40 HN ARG 40 -3.898 -1.482 -6.041 338 HA ARG 40 HA ARG 40 -2.323 -1.164 -3.718 339 HB2 ARG 40 HB2 ARG 40 -1.556 -0.772 -6.071 340 HB3 ARG 40 HB1 ARG 40 -2.498 0.711 -6.079 341 HG2 ARG 40 HG2 ARG 40 -1.122 1.368 -4.021 342 HG3 ARG 40 HG1 ARG 40 -0.036 0.063 -4.502 343 HD2 ARG 40 HD2 ARG 40 0.729 2.182 -5.414 344 HD3 ARG 40 HD1 ARG 40 0.215 1.102 -6.710 345 HE ARG 40 HE ARG 40 -2.020 2.532 -6.255 346 HH11 ARG 40 HH11 ARG 40 1.317 3.484 -6.814 347 HH12 ARG 40 HH12 ARG 40 0.874 5.038 -7.466 348 HH21 ARG 40 HH21 ARG 40 -2.591 4.520 -7.135 349 HH22 ARG 40 HH22 ARG 40 -1.357 5.618 -7.676 350 H GLU 41 HN GLU 41 -4.972 0.710 -5.103 351 HA GLU 41 HA GLU 41 -4.762 2.918 -3.348 352 HB2 GLU 41 HB2 GLU 41 -7.378 2.018 -4.534 353 HB3 GLU 41 HB1 GLU 41 -6.825 3.655 -4.216 354 HG2 GLU 41 HG2 GLU 41 -5.953 1.812 -6.422 355 HG3 GLU 41 HG1 GLU 41 -6.825 3.335 -6.565 356 H VAL 42 HN VAL 42 -6.347 -0.184 -3.175 357 HA VAL 42 HA VAL 42 -7.931 0.322 -0.884 358 HB VAL 42 HB VAL 42 -6.832 -2.348 -1.786 359 HG11 VAL 42 HG11 VAL 42 -8.901 -3.223 -0.732 360 HG12 VAL 42 HG12 VAL 42 -9.232 -1.602 -0.123 361 HG13 VAL 42 HG13 VAL 42 -7.794 -2.467 0.413 362 HG21 VAL 42 HG21 VAL 42 -9.382 -0.975 -2.631 363 HG22 VAL 42 HG22 VAL 42 -8.872 -2.599 -3.096 364 HG23 VAL 42 HG23 VAL 42 -7.950 -1.194 -3.636 365 H TYR 43 HN TYR 43 -4.631 -0.844 -1.355 366 HA TYR 43 HA TYR 43 -4.128 -1.524 1.354 367 HB2 TYR 43 HB2 TYR 43 -2.123 -0.654 -0.739 368 HB3 TYR 43 HB1 TYR 43 -1.763 -1.521 0.748 369 HD1 TYR 43 HD1 TYR 43 -4.238 -3.397 0.481 370 HD2 TYR 43 HD2 TYR 43 -1.109 -2.279 -2.173 371 HE1 TYR 43 HE1 TYR 43 -4.502 -5.525 -0.712 372 HE2 TYR 43 HE2 TYR 43 -1.366 -4.405 -3.378 373 HH TYR 43 HH TYR 43 -4.017 -6.418 -3.013 374 H ASP 44 HN ASP 44 -3.655 1.389 -0.556 375 HA ASP 44 HA ASP 44 -2.317 2.922 1.384 376 HB2 ASP 44 HB2 ASP 44 -2.979 3.298 -1.217 377 HB3 ASP 44 HB1 ASP 44 -4.159 4.347 -0.438 378 H PHE 45 HN PHE 45 -5.693 2.278 0.779 379 HA PHE 45 HA PHE 45 -6.843 4.228 2.425 380 HB2 PHE 45 HB2 PHE 45 -7.859 2.407 0.733 381 HB3 PHE 45 HB1 PHE 45 -8.175 1.577 2.252 382 HD1 PHE 45 HD1 PHE 45 -8.837 4.635 0.315 383 HD2 PHE 45 HD2 PHE 45 -9.902 2.307 3.709 384 HE1 PHE 45 HE1 PHE 45 -10.850 6.017 0.624 385 HE2 PHE 45 HE2 PHE 45 -11.917 3.684 4.031 386 HZ PHE 45 HZ PHE 45 -12.391 5.543 2.486 387 H ALA 46 HN ALA 46 -5.460 1.096 3.143 388 HA ALA 46 HA ALA 46 -6.370 1.130 5.895 389 HB1 ALA 46 HB1 ALA 46 -6.220 -0.994 4.696 390 HB2 ALA 46 HB2 ALA 46 -5.169 -0.977 6.112 391 HB3 ALA 46 HB3 ALA 46 -4.479 -0.767 4.501 392 H PHE 47 HN PHE 47 -3.580 2.072 4.067 393 HA PHE 47 HA PHE 47 -1.776 2.204 6.291 394 HB2 PHE 47 HB2 PHE 47 -1.488 2.301 3.542 395 HB3 PHE 47 HB1 PHE 47 -1.140 3.956 4.036 396 HD1 PHE 47 HD2 PHE 47 0.695 4.389 5.656 397 HD2 PHE 47 HD1 PHE 47 0.027 0.547 3.965 398 HE1 PHE 47 HE2 PHE 47 2.966 3.705 6.320 399 HE2 PHE 47 HE1 PHE 47 2.292 -0.148 4.628 400 HZ PHE 47 HZ PHE 47 3.764 1.435 5.804 401 H ARG 48 HN ARG 48 -3.583 4.616 4.399 402 HA ARG 48 HA ARG 48 -2.928 6.730 6.261 403 HB2 ARG 48 HB2 ARG 48 -4.587 6.541 3.762 404 HB3 ARG 48 HB1 ARG 48 -4.803 7.912 4.839 405 HG2 ARG 48 HG2 ARG 48 -2.402 8.432 4.611 406 HG3 ARG 48 HG1 ARG 48 -2.252 7.105 3.461 407 HD2 ARG 48 HD2 ARG 48 -4.373 9.083 2.903 408 HD3 ARG 48 HD1 ARG 48 -2.715 9.654 2.740 409 HE ARG 48 HE ARG 48 -2.892 7.213 1.387 410 HH11 ARG 48 HH11 ARG 48 -4.240 10.447 1.119 411 HH12 ARG 48 HH12 ARG 48 -4.401 10.365 -0.606 412 HH21 ARG 48 HH21 ARG 48 -3.092 7.125 -0.869 413 HH22 ARG 48 HH22 ARG 48 -3.757 8.480 -1.752 414 H ASP 49 HN ASP 49 -4.361 7.659 7.777 415 HA ASP 49 HA ASP 49 -6.377 5.844 8.752 416 HB2 ASP 49 HB2 ASP 49 -4.964 7.174 10.307 417 HB3 ASP 49 HB1 ASP 49 -5.747 8.642 9.723 418 H LEU 50 HN LEU 50 -8.014 5.716 7.318 419 HA LEU 50 HA LEU 50 -9.566 8.177 6.885 420 HB2 LEU 50 HB2 LEU 50 -9.366 5.895 4.927 421 HB3 LEU 50 HB1 LEU 50 -10.114 7.460 4.671 422 HG LEU 50 HG LEU 50 -7.167 7.226 5.220 423 HD11 LEU 50 HD11 LEU 50 -8.558 6.998 2.559 424 HD12 LEU 50 HD12 LEU 50 -7.553 5.782 3.343 425 HD13 LEU 50 HD13 LEU 50 -6.832 7.285 2.774 426 HD21 LEU 50 HD21 LEU 50 -7.071 9.356 4.090 427 HD22 LEU 50 HD22 LEU 50 -8.264 9.432 5.387 428 HD23 LEU 50 HD23 LEU 50 -8.791 9.272 3.712 429 H CYS 51 HN CYS 51 -11.832 7.407 5.940 430 HA CYS 51 HA CYS 51 -12.807 5.171 7.570 431 HB2 CYS 51 HB2 CYS 51 -14.912 6.608 7.893 432 HB3 CYS 51 HB1 CYS 51 -13.492 7.038 8.841 433 HG CYS 51 HG CYS 51 -14.344 9.482 8.202 434 H ILE 52 HN ILE 52 -14.656 4.123 6.732 435 HA ILE 52 HA ILE 52 -14.847 4.256 3.847 436 HB ILE 52 HB ILE 52 -16.420 2.453 5.686 437 HG12 ILE 52 HG12 ILE 52 -13.763 1.849 4.373 438 HG13 ILE 52 HG11 ILE 52 -13.945 2.288 6.068 439 HG21 ILE 52 HG21 ILE 52 -15.635 2.191 2.785 440 HG22 ILE 52 HG22 ILE 52 -17.241 2.586 3.394 441 HG23 ILE 52 HG23 ILE 52 -16.541 1.000 3.718 442 HD11 ILE 52 HD11 ILE 52 -13.769 -0.062 5.964 443 HD12 ILE 52 HD12 ILE 52 -14.974 -0.161 4.685 444 HD13 ILE 52 HD13 ILE 52 -15.455 0.308 6.314 445 H VAL 53 HN VAL 53 -16.398 5.240 2.743 446 HA VAL 53 HA VAL 53 -18.645 6.382 4.238 447 HB VAL 53 HB VAL 53 -18.932 7.722 2.029 448 HG11 VAL 53 HG11 VAL 53 -17.327 9.411 2.819 449 HG12 VAL 53 HG12 VAL 53 -16.581 8.202 3.865 450 HG13 VAL 53 HG13 VAL 53 -18.246 8.709 4.151 451 HG21 VAL 53 HG21 VAL 53 -16.057 6.836 1.761 452 HG22 VAL 53 HG22 VAL 53 -16.844 8.087 0.799 453 HG23 VAL 53 HG23 VAL 53 -17.382 6.412 0.675 454 H TYR 54 HN TYR 54 -20.478 5.288 4.123 455 HA TYR 54 HA TYR 54 -20.919 3.481 1.872 456 HB2 TYR 54 HB2 TYR 54 -22.348 3.795 4.521 457 HB3 TYR 54 HB1 TYR 54 -22.821 2.646 3.272 458 HD1 TYR 54 HD2 TYR 54 -20.206 3.495 5.730 459 HD2 TYR 54 HD1 TYR 54 -21.600 0.614 2.923 460 HE1 TYR 54 HE2 TYR 54 -18.611 1.853 6.628 461 HE2 TYR 54 HE1 TYR 54 -20.006 -1.032 3.814 462 HH TYR 54 HH TYR 54 -17.935 -0.270 6.596 463 H ARG 55 HN ARG 55 -21.885 4.374 0.179 464 HA ARG 55 HA ARG 55 -23.710 6.604 0.506 465 HB2 ARG 55 HB2 ARG 55 -21.967 6.276 -1.395 466 HB3 ARG 55 HB1 ARG 55 -23.156 5.189 -2.097 467 HG2 ARG 55 HG2 ARG 55 -23.994 7.941 -1.315 468 HG3 ARG 55 HG1 ARG 55 -23.064 7.707 -2.793 469 HD2 ARG 55 HD2 ARG 55 -25.716 6.453 -2.095 470 HD3 ARG 55 HD1 ARG 55 -25.412 7.683 -3.322 471 HE ARG 55 HE ARG 55 -23.802 5.599 -4.041 472 HH11 ARG 55 HH11 ARG 55 -27.236 5.964 -3.442 473 HH12 ARG 55 HH12 ARG 55 -27.685 4.724 -4.576 474 HH21 ARG 55 HH21 ARG 55 -24.395 3.944 -5.510 475 HH22 ARG 55 HH22 ARG 55 -26.078 3.586 -5.748 476 H ASP 56 HN ASP 56 -25.724 6.226 1.053 477 HA ASP 56 HA ASP 56 -27.843 5.402 1.085 478 HB2 ASP 56 HB2 ASP 56 -26.828 4.354 -1.472 479 HB3 ASP 56 HB1 ASP 56 -28.134 3.410 -0.765 480 H GLY 57 HN GLY 57 -26.340 2.452 -0.100 481 HA2 GLY 57 HA2 GLY 57 -26.156 1.283 2.535 482 HA3 GLY 57 HA1 GLY 57 -27.453 0.624 1.542 483 H ASN 58 HN ASN 58 -24.312 1.777 0.467 484 HA ASN 58 HA ASN 58 -23.502 -0.973 -0.144 485 HB2 ASN 58 HB2 ASN 58 -24.291 1.034 -2.057 486 HB3 ASN 58 HB1 ASN 58 -22.592 0.638 -2.277 487 HD21 ASN 58 HD21 ASN 58 -24.592 0.105 -4.149 488 HD22 ASN 58 HD22 ASN 58 -24.731 -1.609 -4.330 489 HA PRO 59 HA PRO 59 -19.656 0.552 1.471 490 HB2 PRO 59 HB2 PRO 59 -18.217 -1.553 0.064 491 HB3 PRO 59 HB1 PRO 59 -18.556 -1.409 1.795 492 HG2 PRO 59 HG2 PRO 59 -19.674 -3.306 0.237 493 HG3 PRO 59 HG1 PRO 59 -20.465 -2.629 1.675 494 HD2 PRO 59 HD2 PRO 59 -20.935 -1.994 -1.209 495 HD3 PRO 59 HD1 PRO 59 -22.102 -2.181 0.116 496 H TYR 60 HN TYR 60 -19.054 2.441 0.522 497 HA TYR 60 HA TYR 60 -17.772 2.275 -2.123 498 HB2 TYR 60 HB2 TYR 60 -19.374 4.445 -0.806 499 HB3 TYR 60 HB1 TYR 60 -18.204 4.843 -2.059 500 HD1 TYR 60 HD2 TYR 60 -21.399 3.171 -1.345 501 HD2 TYR 60 HD1 TYR 60 -18.615 4.258 -4.368 502 HE1 TYR 60 HE2 TYR 60 -23.077 2.666 -3.067 503 HE2 TYR 60 HE1 TYR 60 -20.289 3.761 -6.101 504 HH TYR 60 HH TYR 60 -22.402 2.200 -6.227 505 H ALA 61 HN ALA 61 -15.886 3.573 -2.453 506 HA ALA 61 HA ALA 61 -14.482 4.205 0.060 507 HB1 ALA 61 HB1 ALA 61 -13.529 2.203 -0.947 508 HB2 ALA 61 HB2 ALA 61 -12.387 3.545 -1.029 509 HB3 ALA 61 HB3 ALA 61 -13.291 3.067 -2.467 510 H VAL 62 HN VAL 62 -12.422 5.572 -0.595 511 HA VAL 62 HA VAL 62 -13.354 7.768 -2.318 512 HB VAL 62 HB VAL 62 -11.378 8.151 -0.085 513 HG11 VAL 62 HG11 VAL 62 -12.193 10.454 -0.166 514 HG12 VAL 62 HG12 VAL 62 -13.337 10.005 -1.431 515 HG13 VAL 62 HG13 VAL 62 -11.602 9.922 -1.742 516 HG21 VAL 62 HG21 VAL 62 -13.347 7.120 0.940 517 HG22 VAL 62 HG22 VAL 62 -14.376 8.347 0.203 518 HG23 VAL 62 HG23 VAL 62 -13.184 8.809 1.417 519 H CYS 63 HN CYS 63 -12.144 7.969 -4.112 520 HA CYS 63 HA CYS 63 -9.682 6.545 -4.403 521 HB2 CYS 63 HB2 CYS 63 -9.611 7.638 -6.642 522 HB3 CYS 63 HB1 CYS 63 -11.123 6.795 -6.328 523 H ASP 64 HN ASP 64 -7.738 7.750 -5.333 524 HA ASP 64 HA ASP 64 -6.734 9.483 -3.370 525 HB2 ASP 64 HB2 ASP 64 -5.516 7.954 -5.125 526 HB3 ASP 64 HB1 ASP 64 -5.529 9.415 -6.106 527 H LYS 65 HN LYS 65 -8.725 10.129 -6.061 528 HA LYS 65 HA LYS 65 -7.888 12.839 -6.532 529 HB2 LYS 65 HB2 LYS 65 -10.532 11.538 -7.206 530 HB3 LYS 65 HB1 LYS 65 -9.912 13.042 -7.864 531 HG2 LYS 65 HG2 LYS 65 -8.341 11.956 -9.188 532 HG3 LYS 65 HG1 LYS 65 -8.447 10.461 -8.251 533 HD2 LYS 65 HD2 LYS 65 -9.596 10.451 -10.518 534 HD3 LYS 65 HD1 LYS 65 -10.575 9.942 -9.139 535 HE2 LYS 65 HE2 LYS 65 -11.407 12.337 -9.024 536 HE3 LYS 65 HE1 LYS 65 -10.644 12.578 -10.594 537 HZ1 LYS 65 HZ1 LYS 65 -12.969 12.043 -10.852 538 HZ2 LYS 65 HZ2 LYS 65 -12.784 10.612 -9.968 539 HZ3 LYS 65 HZ3 LYS 65 -12.028 10.785 -11.476 540 H CYS 66 HN CYS 66 -10.822 11.409 -5.126 541 HA CYS 66 HA CYS 66 -11.743 13.875 -4.046 542 HB2 CYS 66 HB2 CYS 66 -12.684 11.177 -3.136 543 HB3 CYS 66 HB1 CYS 66 -13.607 12.661 -3.326 544 H LEU 67 HN LEU 67 -9.611 11.401 -2.904 545 HA LEU 67 HA LEU 67 -9.908 11.585 -0.162 546 HB2 LEU 67 HB2 LEU 67 -7.690 10.824 -1.957 547 HB3 LEU 67 HB1 LEU 67 -7.261 11.190 -0.300 548 HG LEU 67 HG LEU 67 -9.262 9.102 -1.166 549 HD11 LEU 67 HD11 LEU 67 -6.423 8.920 -0.189 550 HD12 LEU 67 HD12 LEU 67 -7.078 8.350 -1.724 551 HD13 LEU 67 HD13 LEU 67 -7.529 7.548 -0.218 552 HD21 LEU 67 HD21 LEU 67 -9.893 9.981 0.978 553 HD22 LEU 67 HD22 LEU 67 -8.230 9.895 1.555 554 HD23 LEU 67 HD23 LEU 67 -9.129 8.414 1.226 555 H LYS 68 HN LYS 68 -8.271 13.840 -2.306 556 HA LYS 68 HA LYS 68 -7.093 15.260 -0.077 557 HB2 LYS 68 HB2 LYS 68 -6.271 16.835 -1.739 558 HB3 LYS 68 HB1 LYS 68 -5.899 15.182 -2.194 559 HG2 LYS 68 HG2 LYS 68 -8.152 15.431 -3.548 560 HG3 LYS 68 HG1 LYS 68 -7.719 17.140 -3.460 561 HD2 LYS 68 HD2 LYS 68 -5.339 16.160 -4.160 562 HD3 LYS 68 HD1 LYS 68 -6.364 14.906 -4.863 563 HE2 LYS 68 HE2 LYS 68 -6.231 16.376 -6.613 564 HE3 LYS 68 HE1 LYS 68 -7.689 16.964 -5.814 565 HZ1 LYS 68 HZ1 LYS 68 -4.961 18.085 -5.426 566 HZ2 LYS 68 HZ2 LYS 68 -6.389 18.675 -4.735 567 HZ3 LYS 68 HZ3 LYS 68 -6.158 18.759 -6.407 568 H PHE 69 HN PHE 69 -10.002 15.366 -1.923 569 HA PHE 69 HA PHE 69 -10.703 18.052 -1.175 570 HB2 PHE 69 HB2 PHE 69 -12.146 15.833 -2.603 571 HB3 PHE 69 HB1 PHE 69 -13.006 17.272 -2.076 572 HD1 PHE 69 HD2 PHE 69 -12.505 19.467 -3.066 573 HD2 PHE 69 HD1 PHE 69 -10.629 15.902 -4.458 574 HE1 PHE 69 HE2 PHE 69 -11.796 20.632 -5.109 575 HE2 PHE 69 HE1 PHE 69 -9.919 17.068 -6.508 576 HZ PHE 69 HZ PHE 69 -10.501 19.441 -6.834 577 H TYR 70 HN TYR 70 -11.640 14.794 -0.132 578 HA TYR 70 HA TYR 70 -12.986 16.027 2.184 579 HB2 TYR 70 HB2 TYR 70 -13.776 13.654 0.506 580 HB3 TYR 70 HB1 TYR 70 -14.417 13.902 2.126 581 HD1 TYR 70 HD2 TYR 70 -15.743 15.973 2.605 582 HD2 TYR 70 HD1 TYR 70 -14.649 14.843 -1.343 583 HE1 TYR 70 HE2 TYR 70 -17.479 17.458 1.706 584 HE2 TYR 70 HE1 TYR 70 -16.381 16.327 -2.257 585 HH TYR 70 HH TYR 70 -18.277 17.505 -1.709 586 H MET 1 HT1 MET 1 22.291 4.845 -2.449 587 HA MET 1 HA MET 1 23.800 3.017 -1.903 588 HB2 MET 1 HB2 MET 1 24.459 5.490 -2.496 589 HB3 MET 1 HB1 MET 1 25.010 5.543 -0.829 590 HG2 MET 1 HG2 MET 1 25.918 3.311 -2.574 591 HG3 MET 1 HG1 MET 1 26.630 4.909 -2.782 592 HE1 MET 1 HE1 MET 1 29.508 3.238 -0.848 593 HE2 MET 1 HE2 MET 1 28.979 4.061 -2.314 594 HE3 MET 1 HE3 MET 1 28.486 2.395 -2.012 595 H PHE 2 HN PHE 2 25.133 1.989 -0.348 596 HA PHE 2 HA PHE 2 24.942 2.781 2.425 597 HB2 PHE 2 HB2 PHE 2 22.974 1.097 1.485 598 HB3 PHE 2 HB1 PHE 2 24.156 -0.030 2.139 599 HD1 PHE 2 HD1 PHE 2 23.349 3.369 3.403 600 HD2 PHE 2 HD2 PHE 2 23.044 -0.830 4.023 601 HE1 PHE 2 HE1 PHE 2 22.461 3.771 5.659 602 HE2 PHE 2 HE2 PHE 2 22.153 -0.435 6.283 603 HZ PHE 2 HZ PHE 2 21.860 1.872 7.104 604 H GLN 3 HN GLN 3 26.667 2.062 3.589 605 HA GLN 3 HA GLN 3 28.462 0.125 2.288 606 HB2 GLN 3 HB2 GLN 3 28.962 2.886 3.148 607 HB3 GLN 3 HB1 GLN 3 30.150 1.731 3.732 608 HG2 GLN 3 HG2 GLN 3 29.365 2.037 0.847 609 HG3 GLN 3 HG1 GLN 3 30.750 2.834 1.593 610 HE21 GLN 3 HE21 GLN 3 32.419 1.484 2.485 611 HE22 GLN 3 HE22 GLN 3 32.729 -0.062 1.773 612 H ASP 4 HN ASP 4 30.372 -0.156 4.127 613 HA ASP 4 HA ASP 4 29.119 -1.711 6.168 614 HB2 ASP 4 HB2 ASP 4 31.262 -2.525 6.630 615 HB3 ASP 4 HB1 ASP 4 31.408 -2.067 4.942 616 HA PRO 5 HA PRO 5 30.192 -2.471 8.111 617 HB2 PRO 5 HB2 PRO 5 29.921 -2.672 10.749 618 HB3 PRO 5 HB1 PRO 5 31.380 -1.944 10.050 619 HG2 PRO 5 HG2 PRO 5 29.077 -0.634 11.373 620 HG3 PRO 5 HG1 PRO 5 30.791 -0.183 11.366 621 HD2 PRO 5 HD2 PRO 5 28.752 0.899 9.739 622 HD3 PRO 5 HD1 PRO 5 30.498 1.171 9.586 623 H GLN 6 HN GLN 6 27.569 -1.045 7.516 624 HA GLN 6 HA GLN 6 25.635 -2.335 9.200 625 HB2 GLN 6 HB2 GLN 6 25.369 -0.848 6.588 626 HB3 GLN 6 HB1 GLN 6 24.000 -1.532 7.450 627 HG2 GLN 6 HG2 GLN 6 25.555 0.894 7.989 628 HG3 GLN 6 HG1 GLN 6 23.867 0.529 8.329 629 HE21 GLN 6 HE21 GLN 6 23.375 -0.698 10.245 630 HE22 GLN 6 HE22 GLN 6 24.466 -0.640 11.593 631 H GLU 7 HN GLU 7 25.017 -4.377 9.065 632 HA GLU 7 HA GLU 7 25.996 -6.092 7.023 633 HB2 GLU 7 HB2 GLU 7 25.438 -6.636 9.489 634 HB3 GLU 7 HB1 GLU 7 23.789 -6.851 8.912 635 HG2 GLU 7 HG2 GLU 7 24.444 -8.620 7.464 636 HG3 GLU 7 HG1 GLU 7 26.152 -8.294 7.748 637 H ARG 8 HN ARG 8 23.273 -4.108 7.201 638 HA ARG 8 HA ARG 8 21.591 -3.663 5.755 639 HB2 ARG 8 HB2 ARG 8 22.915 -5.741 4.011 640 HB3 ARG 8 HB1 ARG 8 21.610 -4.680 3.500 641 HG2 ARG 8 HG2 ARG 8 22.961 -2.829 3.420 642 HG3 ARG 8 HG1 ARG 8 24.104 -3.476 4.599 643 HD2 ARG 8 HD2 ARG 8 24.978 -5.024 2.980 644 HD3 ARG 8 HD1 ARG 8 23.738 -4.567 1.815 645 HE ARG 8 HE ARG 8 24.826 -2.465 1.531 646 HH11 ARG 8 HH11 ARG 8 26.610 -4.734 3.507 647 HH12 ARG 8 HH12 ARG 8 28.141 -3.965 3.233 648 HH21 ARG 8 HH21 ARG 8 26.843 -1.427 1.200 649 HH22 ARG 8 HH22 ARG 8 28.270 -2.094 1.933 650 HA PRO 9 HA PRO 9 18.988 -7.053 7.271 651 HB2 PRO 9 HB2 PRO 9 16.839 -5.508 7.821 652 HB3 PRO 9 HB1 PRO 9 18.244 -5.576 8.901 653 HG2 PRO 9 HG2 PRO 9 17.498 -3.495 6.910 654 HG3 PRO 9 HG1 PRO 9 18.183 -3.311 8.536 655 HD2 PRO 9 HD2 PRO 9 19.661 -3.147 6.241 656 HD3 PRO 9 HD1 PRO 9 20.327 -3.625 7.815 657 H ARG 10 HN ARG 10 16.902 -7.917 6.523 658 HA ARG 10 HA ARG 10 16.481 -7.290 3.693 659 HB2 ARG 10 HB2 ARG 10 15.794 -9.673 5.391 660 HB3 ARG 10 HB1 ARG 10 15.098 -9.449 3.793 661 HG2 ARG 10 HG2 ARG 10 17.568 -9.207 3.033 662 HG3 ARG 10 HG1 ARG 10 17.925 -10.011 4.566 663 HD2 ARG 10 HD2 ARG 10 16.151 -11.054 2.355 664 HD3 ARG 10 HD1 ARG 10 17.748 -11.656 2.792 665 HE ARG 10 HE ARG 10 16.743 -12.326 4.953 666 HH11 ARG 10 HH11 ARG 10 14.633 -11.833 2.192 667 HH12 ARG 10 HH12 ARG 10 13.415 -12.922 2.769 668 HH21 ARG 10 HH21 ARG 10 15.118 -13.735 5.726 669 HH22 ARG 10 HH22 ARG 10 13.693 -14.006 4.775 670 H LYS 11 HN LYS 11 15.160 -6.330 6.530 671 HA LYS 11 HA LYS 11 12.421 -6.272 5.452 672 HB2 LYS 11 HB2 LYS 11 13.244 -5.767 8.311 673 HB3 LYS 11 HB1 LYS 11 11.614 -5.997 7.696 674 HG2 LYS 11 HG2 LYS 11 13.759 -8.111 7.644 675 HG3 LYS 11 HG1 LYS 11 12.535 -7.958 8.905 676 HD2 LYS 11 HD2 LYS 11 11.787 -8.205 6.005 677 HD3 LYS 11 HD1 LYS 11 12.098 -9.627 7.002 678 HE2 LYS 11 HE2 LYS 11 10.396 -8.591 8.630 679 HE3 LYS 11 HE1 LYS 11 9.924 -7.574 7.269 680 HZ1 LYS 11 HZ1 LYS 11 9.560 -9.654 5.992 681 HZ2 LYS 11 HZ2 LYS 11 8.519 -9.476 7.312 682 HZ3 LYS 11 HZ3 LYS 11 9.832 -10.535 7.409 683 H LEU 12 HN LEU 12 11.439 -4.390 5.041 684 HA LEU 12 HA LEU 12 12.899 -2.072 4.610 685 HB2 LEU 12 HB2 LEU 12 10.779 -2.585 3.498 686 HB3 LEU 12 HB1 LEU 12 9.921 -2.325 5.003 687 HG LEU 12 HG LEU 12 10.643 0.048 4.974 688 HD11 LEU 12 HD11 LEU 12 11.754 -0.681 2.269 689 HD12 LEU 12 HD12 LEU 12 12.670 -0.144 3.681 690 HD13 LEU 12 HD13 LEU 12 11.556 0.963 2.877 691 HD21 LEU 12 HD21 LEU 12 9.192 -0.868 2.493 692 HD22 LEU 12 HD22 LEU 12 9.140 0.751 3.192 693 HD23 LEU 12 HD23 LEU 12 8.466 -0.615 4.081 694 HA PRO 13 HA PRO 13 10.923 -0.173 8.700 695 HB2 PRO 13 HB2 PRO 13 10.651 -2.141 10.661 696 HB3 PRO 13 HB1 PRO 13 9.317 -1.404 9.754 697 HG2 PRO 13 HG2 PRO 13 10.687 -3.999 9.311 698 HG3 PRO 13 HG1 PRO 13 8.975 -3.573 9.123 699 HD2 PRO 13 HD2 PRO 13 10.571 -3.842 6.996 700 HD3 PRO 13 HD1 PRO 13 9.304 -2.598 7.049 701 H GLN 14 HN GLN 14 12.931 -3.083 8.866 702 HA GLN 14 HA GLN 14 14.578 -2.214 10.997 703 HB2 GLN 14 HB2 GLN 14 14.708 -4.373 8.952 704 HB3 GLN 14 HB1 GLN 14 16.194 -3.952 9.787 705 HG2 GLN 14 HG2 GLN 14 14.897 -5.847 10.778 706 HG3 GLN 14 HG1 GLN 14 15.291 -4.536 11.888 707 HE21 GLN 14 HE21 GLN 14 13.669 -3.374 12.820 708 HE22 GLN 14 HE22 GLN 14 11.988 -3.740 12.611 709 H LEU 15 HN LEU 15 14.810 -1.942 7.487 710 HA LEU 15 HA LEU 15 17.414 -0.841 7.410 711 HB2 LEU 15 HB2 LEU 15 16.262 -1.851 5.466 712 HB3 LEU 15 HB1 LEU 15 15.159 -0.487 5.435 713 HG LEU 15 HG LEU 15 17.078 1.016 4.980 714 HD11 LEU 15 HD11 LEU 15 18.882 -0.234 5.951 715 HD12 LEU 15 HD12 LEU 15 19.198 -0.023 4.231 716 HD13 LEU 15 HD13 LEU 15 18.612 -1.572 4.834 717 HD21 LEU 15 HD21 LEU 15 17.337 0.399 2.667 718 HD22 LEU 15 HD22 LEU 15 15.679 0.072 3.176 719 HD23 LEU 15 HD23 LEU 15 16.832 -1.254 3.016 720 H CYS 16 HN CYS 16 14.225 0.537 7.811 721 HA CYS 16 HA CYS 16 14.861 3.242 7.413 722 HB2 CYS 16 HB2 CYS 16 12.769 2.089 9.276 723 HB3 CYS 16 HB1 CYS 16 12.812 3.733 8.648 724 HG CYS 16 HG CYS 16 12.493 0.984 6.637 725 H THR 17 HN THR 17 15.085 1.167 10.258 726 HA THR 17 HA THR 17 15.777 3.249 12.067 727 HB THR 17 HB THR 17 16.859 0.817 13.017 728 HG1 THR 17 HG1 THR 17 15.768 -0.533 11.756 729 HG21 THR 17 HG21 THR 17 14.166 2.080 13.560 730 HG22 THR 17 HG22 THR 17 15.682 2.552 14.326 731 HG23 THR 17 HG23 THR 17 15.015 0.943 14.608 732 H GLU 18 HN GLU 18 17.576 1.186 9.889 733 HA GLU 18 HA GLU 18 20.156 1.634 10.948 734 HB2 GLU 18 HB2 GLU 18 19.319 0.998 8.111 735 HB3 GLU 18 HB1 GLU 18 20.965 0.909 8.720 736 HG2 GLU 18 HG2 GLU 18 18.670 -0.719 9.782 737 HG3 GLU 18 HG1 GLU 18 19.821 -1.281 8.571 738 H LEU 19 HN LEU 19 18.218 3.312 8.531 739 HA LEU 19 HA LEU 19 20.272 5.296 8.057 740 HB2 LEU 19 HB2 LEU 19 17.561 4.713 6.964 741 HB3 LEU 19 HB1 LEU 19 18.182 6.346 6.801 742 HG LEU 19 HG LEU 19 19.656 3.903 5.815 743 HD11 LEU 19 HD11 LEU 19 17.859 5.804 4.309 744 HD12 LEU 19 HD12 LEU 19 17.555 4.094 4.614 745 HD13 LEU 19 HD13 LEU 19 18.892 4.580 3.572 746 HD21 LEU 19 HD21 LEU 19 21.110 5.781 6.218 747 HD22 LEU 19 HD22 LEU 19 20.012 6.864 5.362 748 HD23 LEU 19 HD23 LEU 19 20.874 5.605 4.478 749 H GLN 20 HN GLN 20 18.090 4.748 10.440 750 HA GLN 20 HA GLN 20 17.230 5.926 12.162 751 HB2 GLN 20 HB2 GLN 20 19.207 8.046 11.305 752 HB3 GLN 20 HB1 GLN 20 18.400 7.961 12.866 753 HG2 GLN 20 HG2 GLN 20 19.536 5.883 13.373 754 HG3 GLN 20 HG1 GLN 20 20.291 5.887 11.780 755 HE21 GLN 20 HE21 GLN 20 21.899 7.411 11.324 756 HE22 GLN 20 HE22 GLN 20 22.772 8.203 12.588 757 H THR 21 HN THR 21 15.569 5.947 10.121 758 HA THR 21 HA THR 21 14.301 8.542 10.368 759 HB THR 21 HB THR 21 15.755 8.714 8.334 760 HG1 THR 21 HG1 THR 21 14.152 9.753 7.181 761 HG21 THR 21 HG21 THR 21 15.014 7.543 6.290 762 HG22 THR 21 HG22 THR 21 13.877 6.604 7.258 763 HG23 THR 21 HG23 THR 21 15.614 6.428 7.518 764 H THR 22 HN THR 22 12.201 8.289 8.677 765 HA THR 22 HA THR 22 10.861 5.905 9.753 766 HB THR 22 HB THR 22 8.742 7.136 9.178 767 HG1 THR 22 HG1 THR 22 10.114 9.553 9.115 768 HG21 THR 22 HG21 THR 22 10.659 8.471 11.087 769 HG22 THR 22 HG22 THR 22 9.577 7.128 11.453 770 HG23 THR 22 HG23 THR 22 8.914 8.716 11.070 771 H ILE 23 HN ILE 23 9.090 5.024 8.362 772 HA ILE 23 HA ILE 23 10.123 4.109 5.905 773 HB ILE 23 HB ILE 23 7.218 4.024 6.726 774 HG12 ILE 23 HG12 ILE 23 9.380 2.030 7.442 775 HG13 ILE 23 HG11 ILE 23 8.743 3.233 8.557 776 HG21 ILE 23 HG21 ILE 23 7.777 3.341 4.414 777 HG22 ILE 23 HG22 ILE 23 7.120 2.024 5.383 778 HG23 ILE 23 HG23 ILE 23 8.852 2.107 5.068 779 HD11 ILE 23 HD11 ILE 23 7.747 1.034 8.913 780 HD12 ILE 23 HD12 ILE 23 7.146 1.038 7.253 781 HD13 ILE 23 HD13 ILE 23 6.540 2.221 8.414 782 H HIS 24 HN HIS 24 8.183 6.850 6.747 783 HA HIS 24 HA HIS 24 7.318 7.311 4.007 784 HB2 HIS 24 HB2 HIS 24 6.920 9.118 6.396 785 HB3 HIS 24 HB1 HIS 24 6.050 9.165 4.871 786 HD1 HIS 24 HD1 HIS 24 4.020 7.598 4.635 787 HD2 HIS 24 HD2 HIS 24 6.187 7.028 8.140 788 HE1 HIS 24 HE1 HIS 24 2.614 6.100 6.109 789 H ASP 25 HN ASP 25 10.187 7.634 5.352 790 HA ASP 25 HA ASP 25 10.740 10.162 3.949 791 HB2 ASP 25 HB2 ASP 25 10.817 10.463 6.416 792 HB3 ASP 25 HB1 ASP 25 12.097 9.256 6.489 793 H ILE 26 HN ILE 26 11.846 6.958 4.830 794 HA ILE 26 HA ILE 26 14.430 7.054 3.778 795 HB ILE 26 HB ILE 26 13.767 5.203 5.157 796 HG12 ILE 26 HG12 ILE 26 14.277 4.146 2.370 797 HG13 ILE 26 HG11 ILE 26 15.517 4.841 3.410 798 HG21 ILE 26 HG21 ILE 26 11.882 4.358 2.959 799 HG22 ILE 26 HG22 ILE 26 11.405 5.102 4.485 800 HG23 ILE 26 HG23 ILE 26 12.170 3.511 4.480 801 HD11 ILE 26 HD11 ILE 26 15.171 3.076 5.035 802 HD12 ILE 26 HD12 ILE 26 15.537 2.398 3.449 803 HD13 ILE 26 HD13 ILE 26 13.878 2.400 4.047 804 H ILE 27 HN ILE 27 15.094 7.450 1.793 805 HA ILE 27 HA ILE 27 13.248 7.157 -0.439 806 HB ILE 27 HB ILE 27 16.017 8.373 -0.395 807 HG12 ILE 27 HG12 ILE 27 14.495 9.661 0.999 808 HG13 ILE 27 HG11 ILE 27 14.816 10.541 -0.491 809 HG21 ILE 27 HG21 ILE 27 15.394 9.345 -2.556 810 HG22 ILE 27 HG22 ILE 27 13.861 8.474 -2.506 811 HG23 ILE 27 HG23 ILE 27 15.382 7.584 -2.609 812 HD11 ILE 27 HD11 ILE 27 12.337 8.980 0.192 813 HD12 ILE 27 HD12 ILE 27 12.653 9.719 -1.377 814 HD13 ILE 27 HD13 ILE 27 12.494 10.731 0.058 815 H LEU 28 HN LEU 28 13.184 5.203 -1.320 816 HA LEU 28 HA LEU 28 15.712 3.757 -1.708 817 HB2 LEU 28 HB2 LEU 28 13.234 2.903 -0.662 818 HB3 LEU 28 HB1 LEU 28 13.391 2.142 -2.233 819 HG LEU 28 HG LEU 28 15.523 1.152 -1.572 820 HD11 LEU 28 HD11 LEU 28 16.155 1.292 0.873 821 HD12 LEU 28 HD12 LEU 28 15.065 2.675 0.978 822 HD13 LEU 28 HD13 LEU 28 16.464 2.731 -0.096 823 HD21 LEU 28 HD21 LEU 28 13.789 -0.310 -1.132 824 HD22 LEU 28 HD22 LEU 28 13.119 0.703 0.143 825 HD23 LEU 28 HD23 LEU 28 14.600 -0.210 0.429 826 H GLU 29 HN GLU 29 16.030 2.689 -3.735 827 HA GLU 29 HA GLU 29 14.569 3.989 -5.937 828 HB2 GLU 29 HB2 GLU 29 16.744 3.594 -7.226 829 HB3 GLU 29 HB1 GLU 29 16.754 4.862 -6.010 830 HG2 GLU 29 HG2 GLU 29 17.667 3.013 -4.448 831 HG3 GLU 29 HG1 GLU 29 18.051 2.173 -5.949 832 H CYS 30 HN CYS 30 14.113 2.750 -7.789 833 HA CYS 30 HA CYS 30 13.467 0.045 -7.316 834 HB2 CYS 30 HB2 CYS 30 13.693 1.432 -9.990 835 HB3 CYS 30 HB1 CYS 30 12.761 -0.016 -9.633 836 H VAL 31 HN VAL 31 14.471 -1.810 -7.791 837 HA VAL 31 HA VAL 31 17.246 -1.892 -8.077 838 HB VAL 31 HB VAL 31 16.164 -3.716 -7.016 839 HG11 VAL 31 HG11 VAL 31 14.668 -4.129 -9.594 840 HG12 VAL 31 HG12 VAL 31 14.003 -3.684 -8.022 841 HG13 VAL 31 HG13 VAL 31 14.690 -5.290 -8.267 842 HG21 VAL 31 HG21 VAL 31 17.294 -4.634 -9.655 843 HG22 VAL 31 HG22 VAL 31 17.036 -5.666 -8.248 844 HG23 VAL 31 HG23 VAL 31 18.192 -4.336 -8.168 845 H TYR 32 HN TYR 32 14.726 -2.391 -10.549 846 HA TYR 32 HA TYR 32 16.863 -2.613 -12.543 847 HB2 TYR 32 HB2 TYR 32 13.960 -3.402 -12.612 848 HB3 TYR 32 HB1 TYR 32 14.954 -3.350 -14.063 849 HD1 TYR 32 HD1 TYR 32 17.162 -4.717 -14.004 850 HD2 TYR 32 HD2 TYR 32 13.916 -5.348 -11.324 851 HE1 TYR 32 HE1 TYR 32 17.998 -6.979 -13.530 852 HE2 TYR 32 HE2 TYR 32 14.749 -7.612 -10.843 853 HH TYR 32 HH TYR 32 16.144 -9.287 -11.743 854 H CYS 33 HN CYS 33 13.857 -0.817 -11.917 855 HA CYS 33 HA CYS 33 14.004 0.791 -14.226 856 HB2 CYS 33 HB2 CYS 33 12.734 1.857 -11.753 857 HB3 CYS 33 HB1 CYS 33 12.139 1.852 -13.408 858 H LYS 34 HN LYS 34 15.483 1.030 -11.085 859 HA LYS 34 HA LYS 34 17.015 2.414 -10.176 860 HB2 LYS 34 HB2 LYS 34 18.148 1.765 -12.368 861 HB3 LYS 34 HB1 LYS 34 17.661 3.342 -12.968 862 HG2 LYS 34 HG2 LYS 34 19.951 3.405 -12.202 863 HG3 LYS 34 HG1 LYS 34 18.936 4.417 -11.175 864 HD2 LYS 34 HD2 LYS 34 18.843 2.616 -9.513 865 HD3 LYS 34 HD1 LYS 34 19.881 1.621 -10.539 866 HE2 LYS 34 HE2 LYS 34 21.231 2.637 -8.835 867 HE3 LYS 34 HE1 LYS 34 21.622 3.388 -10.380 868 HZ1 LYS 34 HZ1 LYS 34 20.063 5.205 -9.743 869 HZ2 LYS 34 HZ2 LYS 34 21.440 5.093 -8.770 870 HZ3 LYS 34 HZ3 LYS 34 19.957 4.514 -8.196 871 H GLN 35 HN GLN 35 14.482 3.416 -10.113 872 HA GLN 35 HA GLN 35 15.000 6.304 -10.335 873 HB2 GLN 35 HB2 GLN 35 12.744 6.739 -10.999 874 HB3 GLN 35 HB1 GLN 35 13.371 5.514 -12.089 875 HG2 GLN 35 HG2 GLN 35 12.074 3.836 -11.150 876 HG3 GLN 35 HG1 GLN 35 11.803 4.743 -9.663 877 HE21 GLN 35 HE21 GLN 35 11.146 7.222 -11.018 878 HE22 GLN 35 HE22 GLN 35 9.568 7.007 -11.688 879 H GLN 36 HN GLN 36 13.416 7.528 -8.834 880 HA GLN 36 HA GLN 36 13.704 6.360 -6.227 881 HB2 GLN 36 HB2 GLN 36 12.482 8.949 -7.182 882 HB3 GLN 36 HB1 GLN 36 12.510 8.473 -5.490 883 HG2 GLN 36 HG2 GLN 36 14.965 8.372 -5.582 884 HG3 GLN 36 HG1 GLN 36 14.903 8.918 -7.256 885 HE21 GLN 36 HE21 GLN 36 12.736 10.089 -4.785 886 HE22 GLN 36 HE22 GLN 36 13.384 11.687 -4.703 887 H LEU 37 HN LEU 37 12.302 5.094 -5.233 888 HA LEU 37 HA LEU 37 9.854 4.304 -6.362 889 HB2 LEU 37 HB2 LEU 37 11.330 3.120 -4.603 890 HB3 LEU 37 HB1 LEU 37 10.488 4.108 -3.425 891 HG LEU 37 HG LEU 37 8.329 3.123 -4.286 892 HD11 LEU 37 HD11 LEU 37 10.241 1.260 -5.687 893 HD12 LEU 37 HD12 LEU 37 9.082 2.351 -6.448 894 HD13 LEU 37 HD13 LEU 37 8.511 0.984 -5.493 895 HD21 LEU 37 HD21 LEU 37 8.648 0.985 -3.089 896 HD22 LEU 37 HD22 LEU 37 9.292 2.371 -2.209 897 HD23 LEU 37 HD23 LEU 37 10.386 1.287 -3.067 898 H LEU 38 HN LEU 38 7.804 5.054 -6.134 899 HA LEU 38 HA LEU 38 7.440 7.686 -5.127 900 HB2 LEU 38 HB2 LEU 38 5.388 5.670 -6.033 901 HB3 LEU 38 HB1 LEU 38 5.085 7.374 -5.750 902 HG LEU 38 HG LEU 38 6.943 6.265 -7.856 903 HD11 LEU 38 HD11 LEU 38 4.217 7.525 -8.123 904 HD12 LEU 38 HD12 LEU 38 4.591 5.816 -8.350 905 HD13 LEU 38 HD13 LEU 38 5.262 7.019 -9.451 906 HD21 LEU 38 HD21 LEU 38 6.941 8.607 -8.684 907 HD22 LEU 38 HD22 LEU 38 7.709 8.420 -7.107 908 HD23 LEU 38 HD23 LEU 38 6.078 9.083 -7.219 909 H ARG 39 HN ARG 39 6.114 8.376 -3.445 910 HA ARG 39 HA ARG 39 6.485 7.201 -0.984 911 HB2 ARG 39 HB2 ARG 39 5.863 9.556 -1.387 912 HB3 ARG 39 HB1 ARG 39 4.234 9.044 -1.795 913 HG2 ARG 39 HG2 ARG 39 3.846 8.294 0.452 914 HG3 ARG 39 HG1 ARG 39 5.532 8.598 0.886 915 HD2 ARG 39 HD2 ARG 39 5.216 10.979 0.463 916 HD3 ARG 39 HD1 ARG 39 3.548 10.683 -0.017 917 HE ARG 39 HE ARG 39 2.972 10.352 2.220 918 HH11 ARG 39 HH11 ARG 39 6.414 10.838 1.882 919 HH12 ARG 39 HH12 ARG 39 6.658 11.259 3.547 920 HH21 ARG 39 HH21 ARG 39 3.280 10.920 4.433 921 HH22 ARG 39 HH22 ARG 39 4.876 11.306 4.997 922 H ARG 40 HN ARG 40 3.691 6.886 -3.135 923 HA ARG 40 HA ARG 40 2.152 5.377 -1.267 924 HB2 ARG 40 HB2 ARG 40 1.855 5.636 -4.263 925 HB3 ARG 40 HB1 ARG 40 0.662 4.928 -3.180 926 HG2 ARG 40 HG2 ARG 40 0.727 7.198 -1.967 927 HG3 ARG 40 HG1 ARG 40 1.504 7.789 -3.438 928 HD2 ARG 40 HD2 ARG 40 -0.954 8.115 -3.417 929 HD3 ARG 40 HD1 ARG 40 -0.388 7.128 -4.764 930 HE ARG 40 HE ARG 40 -1.179 5.590 -2.463 931 HH11 ARG 40 HH11 ARG 40 -2.384 7.244 -5.312 932 HH12 ARG 40 HH12 ARG 40 -3.722 6.151 -5.532 933 HH21 ARG 40 HH21 ARG 40 -2.936 4.173 -2.758 934 HH22 ARG 40 HH22 ARG 40 -4.034 4.427 -4.079 935 H GLU 41 HN GLU 41 4.435 4.572 -3.800 936 HA GLU 41 HA GLU 41 3.863 1.805 -3.946 937 HB2 GLU 41 HB2 GLU 41 6.082 3.580 -4.821 938 HB3 GLU 41 HB1 GLU 41 6.426 1.861 -4.715 939 HG2 GLU 41 HG2 GLU 41 5.719 2.653 -6.966 940 HG3 GLU 41 HG1 GLU 41 4.753 1.336 -6.309 941 H VAL 42 HN VAL 42 5.914 3.738 -1.871 942 HA VAL 42 HA VAL 42 7.455 1.698 -0.715 943 HB VAL 42 HB VAL 42 6.507 4.207 0.689 944 HG11 VAL 42 HG11 VAL 42 8.574 3.980 1.981 945 HG12 VAL 42 HG12 VAL 42 8.949 2.489 1.117 946 HG13 VAL 42 HG13 VAL 42 7.536 2.566 2.171 947 HG21 VAL 42 HG21 VAL 42 8.370 5.372 -0.191 948 HG22 VAL 42 HG22 VAL 42 7.582 4.591 -1.563 949 HG23 VAL 42 HG23 VAL 42 9.054 3.902 -0.880 950 H TYR 43 HN TYR 43 4.216 2.846 -0.077 951 HA TYR 43 HA TYR 43 3.797 1.564 2.393 952 HB2 TYR 43 HB2 TYR 43 1.797 2.321 0.257 953 HB3 TYR 43 HB1 TYR 43 1.391 1.871 1.909 954 HD1 TYR 43 HD1 TYR 43 3.917 3.407 3.031 955 HD2 TYR 43 HD2 TYR 43 0.691 4.476 0.476 956 HE1 TYR 43 HE1 TYR 43 4.157 5.747 3.723 957 HE2 TYR 43 HE2 TYR 43 0.921 6.823 1.162 958 HH TYR 43 HH TYR 43 1.904 8.234 2.592 959 H ASP 44 HN ASP 44 3.330 0.466 -0.943 960 HA ASP 44 HA ASP 44 2.011 -1.952 -0.304 961 HB2 ASP 44 HB2 ASP 44 1.956 -1.123 -2.579 962 HB3 ASP 44 HB1 ASP 44 3.710 -1.211 -2.697 963 H PHE 45 HN PHE 45 5.387 -1.056 -0.565 964 HA PHE 45 HA PHE 45 6.503 -3.633 -0.402 965 HB2 PHE 45 HB2 PHE 45 7.588 -1.304 -0.965 966 HB3 PHE 45 HB1 PHE 45 7.902 -1.253 0.764 967 HD1 PHE 45 HD2 PHE 45 9.398 -2.896 1.808 968 HD2 PHE 45 HD1 PHE 45 8.796 -2.765 -2.405 969 HE1 PHE 45 HE2 PHE 45 11.406 -4.277 1.477 970 HE2 PHE 45 HE1 PHE 45 10.801 -4.145 -2.739 971 HZ PHE 45 HZ PHE 45 12.108 -4.905 -0.797 972 H ALA 46 HN ALA 46 5.392 -1.372 2.041 973 HA ALA 46 HA ALA 46 6.422 -2.991 4.221 974 HB1 ALA 46 HB1 ALA 46 6.431 -0.526 4.360 975 HB2 ALA 46 HB2 ALA 46 5.540 -1.281 5.681 976 HB3 ALA 46 HB3 ALA 46 4.666 -0.537 4.341 977 H PHE 47 HN PHE 47 3.673 -2.927 2.284 978 HA PHE 47 HA PHE 47 1.832 -3.958 4.276 979 HB2 PHE 47 HB2 PHE 47 1.477 -2.502 1.981 980 HB3 PHE 47 HB1 PHE 47 1.072 -4.125 1.432 981 HD1 PHE 47 HD1 PHE 47 0.195 -1.454 3.798 982 HD2 PHE 47 HD2 PHE 47 -0.939 -5.192 2.115 983 HE1 PHE 47 HE1 PHE 47 -2.052 -1.203 4.769 984 HE2 PHE 47 HE2 PHE 47 -3.188 -4.952 3.085 985 HZ PHE 47 HZ PHE 47 -3.748 -2.953 4.412 986 H ARG 48 HN ARG 48 3.320 -5.104 1.255 987 HA ARG 48 HA ARG 48 2.607 -7.856 2.004 988 HB2 ARG 48 HB2 ARG 48 3.512 -6.678 -0.628 989 HB3 ARG 48 HB1 ARG 48 3.197 -8.388 -0.361 990 HG2 ARG 48 HG2 ARG 48 0.869 -7.841 0.225 991 HG3 ARG 48 HG1 ARG 48 1.198 -6.146 -0.139 992 HD2 ARG 48 HD2 ARG 48 1.491 -8.424 -2.093 993 HD3 ARG 48 HD1 ARG 48 0.092 -7.355 -1.999 994 HE ARG 48 HE ARG 48 1.977 -5.549 -2.366 995 HH11 ARG 48 HH11 ARG 48 1.571 -8.661 -3.927 996 HH12 ARG 48 HH12 ARG 48 2.373 -8.180 -5.384 997 HH21 ARG 48 HH21 ARG 48 3.057 -4.913 -4.252 998 HH22 ARG 48 HH22 ARG 48 3.214 -6.039 -5.575 999 H ASP 49 HN ASP 49 4.378 -9.456 0.989 1000 HA ASP 49 HA ASP 49 6.919 -8.636 2.219 1001 HB2 ASP 49 HB2 ASP 49 5.442 -10.832 2.772 1002 HB3 ASP 49 HB1 ASP 49 6.482 -11.472 1.503 1003 H LEU 50 HN LEU 50 7.993 -7.660 0.594 1004 HA LEU 50 HA LEU 50 8.308 -9.133 -1.931 1005 HB2 LEU 50 HB2 LEU 50 8.710 -6.221 -1.258 1006 HB3 LEU 50 HB1 LEU 50 9.221 -6.929 -2.775 1007 HG LEU 50 HG LEU 50 6.741 -7.645 -3.019 1008 HD11 LEU 50 HD11 LEU 50 6.569 -5.536 -0.888 1009 HD12 LEU 50 HD12 LEU 50 5.864 -7.152 -0.887 1010 HD13 LEU 50 HD13 LEU 50 5.231 -5.913 -1.970 1011 HD21 LEU 50 HD21 LEU 50 7.777 -6.063 -4.488 1012 HD22 LEU 50 HD22 LEU 50 7.673 -4.794 -3.269 1013 HD23 LEU 50 HD23 LEU 50 6.204 -5.434 -4.005 1014 H CYS 51 HN CYS 51 9.994 -7.812 0.797 1015 HA CYS 51 HA CYS 51 12.072 -8.155 1.633 1016 HB2 CYS 51 HB2 CYS 51 11.895 -10.477 0.765 1017 HB3 CYS 51 HB1 CYS 51 12.577 -9.928 -0.762 1018 HG CYS 51 HG CYS 51 15.079 -9.899 -0.059 1019 H ILE 52 HN ILE 52 14.008 -7.070 1.506 1020 HA ILE 52 HA ILE 52 14.167 -5.133 -0.621 1021 HB ILE 52 HB ILE 52 16.176 -5.526 1.594 1022 HG12 ILE 52 HG12 ILE 52 13.700 -3.785 1.609 1023 HG13 ILE 52 HG11 ILE 52 13.902 -5.270 2.534 1024 HG21 ILE 52 HG21 ILE 52 16.660 -3.156 1.204 1025 HG22 ILE 52 HG22 ILE 52 15.459 -3.122 -0.084 1026 HG23 ILE 52 HG23 ILE 52 16.905 -4.113 -0.257 1027 HD11 ILE 52 HD11 ILE 52 14.288 -3.477 4.013 1028 HD12 ILE 52 HD12 ILE 52 15.361 -2.673 2.869 1029 HD13 ILE 52 HD13 ILE 52 15.867 -4.172 3.647 1030 H VAL 53 HN VAL 53 15.290 -5.336 -2.418 1031 HA VAL 53 HA VAL 53 17.185 -7.540 -2.661 1032 HB VAL 53 HB VAL 53 17.203 -6.853 -5.117 1033 HG11 VAL 53 HG11 VAL 53 15.084 -7.980 -5.583 1034 HG12 VAL 53 HG12 VAL 53 14.586 -7.746 -3.907 1035 HG13 VAL 53 HG13 VAL 53 15.961 -8.784 -4.282 1036 HG21 VAL 53 HG21 VAL 53 16.326 -4.575 -4.793 1037 HG22 VAL 53 HG22 VAL 53 14.785 -5.254 -4.273 1038 HG23 VAL 53 HG23 VAL 53 15.348 -5.508 -5.925 1039 H TYR 54 HN TYR 54 19.294 -7.228 -2.566 1040 HA TYR 54 HA TYR 54 20.258 -4.455 -2.625 1041 HB2 TYR 54 HB2 TYR 54 21.314 -6.930 -1.273 1042 HB3 TYR 54 HB1 TYR 54 22.303 -5.487 -1.482 1043 HD1 TYR 54 HD1 TYR 54 19.368 -6.899 0.211 1044 HD2 TYR 54 HD2 TYR 54 21.877 -3.486 -0.190 1045 HE1 TYR 54 HE1 TYR 54 18.371 -5.933 2.239 1046 HE2 TYR 54 HE2 TYR 54 20.884 -2.514 1.840 1047 HH TYR 54 HH TYR 54 18.600 -4.324 3.816 1048 H ARG 55 HN ARG 55 21.009 -3.913 -4.537 1049 HA ARG 55 HA ARG 55 22.481 -5.888 -6.134 1050 HB2 ARG 55 HB2 ARG 55 20.780 -3.587 -6.744 1051 HB3 ARG 55 HB1 ARG 55 22.289 -3.571 -7.644 1052 HG2 ARG 55 HG2 ARG 55 20.505 -5.984 -7.557 1053 HG3 ARG 55 HG1 ARG 55 20.297 -4.692 -8.742 1054 HD2 ARG 55 HD2 ARG 55 22.793 -6.332 -8.331 1055 HD3 ARG 55 HD1 ARG 55 21.632 -6.533 -9.641 1056 HE ARG 55 HE ARG 55 22.253 -4.150 -10.237 1057 HH11 ARG 55 HH11 ARG 55 24.494 -6.364 -8.687 1058 HH12 ARG 55 HH12 ARG 55 25.907 -5.562 -9.294 1059 HH21 ARG 55 HH21 ARG 55 24.120 -3.088 -11.025 1060 HH22 ARG 55 HH22 ARG 55 25.691 -3.703 -10.627 1061 H ASP 56 HN ASP 56 24.602 -5.866 -6.002 1062 HA ASP 56 HA ASP 56 26.766 -5.176 -5.888 1063 HB2 ASP 56 HB2 ASP 56 26.108 -3.269 -7.355 1064 HB3 ASP 56 HB1 ASP 56 25.737 -2.328 -5.913 1065 H GLY 57 HN GLY 57 24.446 -3.642 -3.777 1066 HA2 GLY 57 HA2 GLY 57 25.156 -4.433 -1.368 1067 HA3 GLY 57 HA1 GLY 57 26.443 -3.272 -1.676 1068 H ASN 58 HN ASN 58 23.911 -2.124 -3.348 1069 HA ASN 58 HA ASN 58 23.200 -0.270 -1.199 1070 HB2 ASN 58 HB2 ASN 58 22.668 -0.105 -4.180 1071 HB3 ASN 58 HB1 ASN 58 22.291 1.145 -3.000 1072 HD21 ASN 58 HD21 ASN 58 24.071 1.112 -5.371 1073 HD22 ASN 58 HD22 ASN 58 25.613 1.625 -4.786 1074 HA PRO 59 HA PRO 59 19.231 -2.180 -0.738 1075 HB2 PRO 59 HB2 PRO 59 17.899 -0.102 0.426 1076 HB3 PRO 59 HB1 PRO 59 19.087 -1.095 1.292 1077 HG2 PRO 59 HG2 PRO 59 19.416 1.597 0.073 1078 HG3 PRO 59 HG1 PRO 59 20.036 0.970 1.613 1079 HD2 PRO 59 HD2 PRO 59 21.580 1.168 -0.605 1080 HD3 PRO 59 HD1 PRO 59 21.814 -0.086 0.628 1081 H TYR 60 HN TYR 60 18.069 -2.537 -2.523 1082 HA TYR 60 HA TYR 60 16.946 -0.217 -3.944 1083 HB2 TYR 60 HB2 TYR 60 17.785 -2.938 -4.927 1084 HB3 TYR 60 HB1 TYR 60 16.647 -1.951 -5.837 1085 HD1 TYR 60 HD1 TYR 60 17.385 0.115 -6.917 1086 HD2 TYR 60 HD2 TYR 60 20.120 -2.339 -4.785 1087 HE1 TYR 60 HE1 TYR 60 19.262 1.290 -7.985 1088 HE2 TYR 60 HE2 TYR 60 22.005 -1.173 -5.843 1089 HH TYR 60 HH TYR 60 22.311 0.150 -8.105 1090 H ALA 61 HN ALA 61 14.792 -0.437 -4.763 1091 HA ALA 61 HA ALA 61 13.146 -2.185 -3.059 1092 HB1 ALA 61 HB1 ALA 61 11.318 -0.559 -3.574 1093 HB2 ALA 61 HB2 ALA 61 12.522 0.449 -4.376 1094 HB3 ALA 61 HB3 ALA 61 12.659 0.114 -2.652 1095 H VAL 62 HN VAL 62 11.117 -2.919 -4.014 1096 HA VAL 62 HA VAL 62 11.385 -3.498 -6.885 1097 HB VAL 62 HB VAL 62 10.028 -5.289 -4.861 1098 HG11 VAL 62 HG11 VAL 62 10.946 -5.853 -7.673 1099 HG12 VAL 62 HG12 VAL 62 9.292 -5.456 -7.216 1100 HG13 VAL 62 HG13 VAL 62 10.042 -6.936 -6.617 1101 HG21 VAL 62 HG21 VAL 62 12.822 -5.488 -5.982 1102 HG22 VAL 62 HG22 VAL 62 12.003 -6.774 -5.096 1103 HG23 VAL 62 HG23 VAL 62 12.370 -5.246 -4.294 1104 H CYS 63 HN CYS 63 9.916 -2.356 -7.935 1105 HA CYS 63 HA CYS 63 7.442 -1.570 -6.627 1106 HB2 CYS 63 HB2 CYS 63 7.188 -0.266 -8.830 1107 HB3 CYS 63 HB1 CYS 63 8.485 0.221 -7.745 1108 H ASP 64 HN ASP 64 5.468 -1.569 -8.134 1109 HA ASP 64 HA ASP 64 4.743 -4.197 -8.751 1110 HB2 ASP 64 HB2 ASP 64 3.192 -2.224 -8.297 1111 HB3 ASP 64 HB1 ASP 64 3.470 -1.740 -9.966 1112 H LYS 65 HN LYS 65 6.355 -1.753 -10.545 1113 HA LYS 65 HA LYS 65 5.965 -2.726 -13.174 1114 HB2 LYS 65 HB2 LYS 65 8.297 -1.144 -12.066 1115 HB3 LYS 65 HB1 LYS 65 7.879 -1.316 -13.763 1116 HG2 LYS 65 HG2 LYS 65 6.488 0.406 -13.659 1117 HG3 LYS 65 HG1 LYS 65 5.632 -0.297 -12.287 1118 HD2 LYS 65 HD2 LYS 65 6.547 1.894 -11.720 1119 HD3 LYS 65 HD1 LYS 65 7.309 0.623 -10.765 1120 HE2 LYS 65 HE2 LYS 65 9.045 0.683 -12.777 1121 HE3 LYS 65 HE1 LYS 65 8.444 2.335 -12.909 1122 HZ1 LYS 65 HZ1 LYS 65 9.235 1.354 -10.261 1123 HZ2 LYS 65 HZ2 LYS 65 9.332 2.919 -10.906 1124 HZ3 LYS 65 HZ3 LYS 65 10.457 1.742 -11.364 1125 H CYS 66 HN CYS 66 8.644 -3.107 -10.849 1126 HA CYS 66 HA CYS 66 10.151 -4.869 -12.463 1127 HB2 CYS 66 HB2 CYS 66 10.166 -4.495 -9.459 1128 HB3 CYS 66 HB1 CYS 66 11.391 -5.366 -10.374 1129 H LEU 67 HN LEU 67 7.671 -5.367 -10.020 1130 HA LEU 67 HA LEU 67 7.924 -8.133 -9.706 1131 HB2 LEU 67 HB2 LEU 67 5.636 -6.231 -9.360 1132 HB3 LEU 67 HB1 LEU 67 5.411 -7.955 -9.127 1133 HG LEU 67 HG LEU 67 7.427 -6.297 -7.614 1134 HD11 LEU 67 HD11 LEU 67 5.248 -5.514 -7.019 1135 HD12 LEU 67 HD12 LEU 67 5.830 -6.560 -5.722 1136 HD13 LEU 67 HD13 LEU 67 4.641 -7.162 -6.876 1137 HD21 LEU 67 HD21 LEU 67 7.429 -8.267 -6.104 1138 HD22 LEU 67 HD22 LEU 67 8.043 -8.623 -7.717 1139 HD23 LEU 67 HD23 LEU 67 6.410 -9.114 -7.269 1140 H LYS 68 HN LYS 68 6.044 -6.257 -12.048 1141 HA LYS 68 HA LYS 68 4.896 -8.638 -13.207 1142 HB2 LYS 68 HB2 LYS 68 3.718 -7.208 -14.680 1143 HB3 LYS 68 HB1 LYS 68 3.744 -6.391 -13.125 1144 HG2 LYS 68 HG2 LYS 68 5.740 -5.096 -14.007 1145 HG3 LYS 68 HG1 LYS 68 5.325 -5.752 -15.592 1146 HD2 LYS 68 HD2 LYS 68 2.995 -4.828 -15.217 1147 HD3 LYS 68 HD1 LYS 68 3.658 -3.966 -13.827 1148 HE2 LYS 68 HE2 LYS 68 3.775 -2.401 -15.541 1149 HE3 LYS 68 HE1 LYS 68 5.407 -3.066 -15.494 1150 HZ1 LYS 68 HZ1 LYS 68 5.015 -4.320 -17.411 1151 HZ2 LYS 68 HZ2 LYS 68 4.323 -2.820 -17.750 1152 HZ3 LYS 68 HZ3 LYS 68 3.340 -4.121 -17.326 1153 H PHE 69 HN PHE 69 7.724 -6.752 -13.646 1154 HA PHE 69 HA PHE 69 8.253 -7.559 -16.343 1155 HB2 PHE 69 HB2 PHE 69 9.547 -5.887 -14.320 1156 HB3 PHE 69 HB1 PHE 69 10.683 -6.781 -15.323 1157 HD1 PHE 69 HD2 PHE 69 10.236 -6.672 -17.895 1158 HD2 PHE 69 HD1 PHE 69 8.758 -3.845 -15.076 1159 HE1 PHE 69 HE2 PHE 69 9.979 -5.018 -19.694 1160 HE2 PHE 69 HE1 PHE 69 8.499 -2.182 -16.874 1161 HZ PHE 69 HZ PHE 69 9.107 -2.772 -19.184 1162 H TYR 70 HN TYR 70 9.527 -8.526 -13.162 1163 HA TYR 70 HA TYR 70 10.698 -10.905 -14.462 1164 HB2 TYR 70 HB2 TYR 70 11.600 -9.391 -12.005 1165 HB3 TYR 70 HB1 TYR 70 12.277 -10.935 -12.506 1166 HD1 TYR 70 HD2 TYR 70 11.845 -7.399 -13.521 1167 HD2 TYR 70 HD1 TYR 70 13.958 -11.036 -14.180 1168 HE1 TYR 70 HE2 TYR 70 13.430 -6.208 -14.970 1169 HE2 TYR 70 HE1 TYR 70 15.549 -9.848 -15.633 1170 HH TYR 70 HH TYR 70 15.978 -7.926 -16.723 Start of MODEL 9 1 H MET 1 HT1 MET 1 -22.770 -5.233 -4.701 2 HA MET 1 HA MET 1 -24.669 -4.657 -3.368 3 HB2 MET 1 HB2 MET 1 -26.566 -6.122 -3.170 4 HB3 MET 1 HB1 MET 1 -26.339 -5.767 -4.876 5 HG2 MET 1 HG2 MET 1 -25.331 -7.912 -5.244 6 HG3 MET 1 HG1 MET 1 -25.365 -8.269 -3.521 7 HE1 MET 1 HE1 MET 1 -28.056 -7.399 -2.469 8 HE2 MET 1 HE2 MET 1 -27.524 -9.058 -2.201 9 HE3 MET 1 HE3 MET 1 -29.151 -8.741 -2.801 10 H PHE 2 HN PHE 2 -24.729 -5.337 -1.219 11 HA PHE 2 HA PHE 2 -23.354 -7.802 -0.508 12 HB2 PHE 2 HB2 PHE 2 -21.919 -5.460 -0.583 13 HB3 PHE 2 HB1 PHE 2 -22.445 -5.512 1.095 14 HD1 PHE 2 HD1 PHE 2 -21.570 -8.358 -1.132 15 HD2 PHE 2 HD2 PHE 2 -20.481 -6.005 2.246 16 HE1 PHE 2 HE1 PHE 2 -19.749 -9.931 -0.626 17 HE2 PHE 2 HE2 PHE 2 -18.660 -7.572 2.754 18 HZ PHE 2 HZ PHE 2 -18.291 -9.537 1.319 19 H GLN 3 HN GLN 3 -24.803 -8.759 0.721 20 HA GLN 3 HA GLN 3 -26.048 -7.239 2.901 21 HB2 GLN 3 HB2 GLN 3 -27.393 -8.905 0.804 22 HB3 GLN 3 HB1 GLN 3 -28.087 -8.825 2.415 23 HG2 GLN 3 HG2 GLN 3 -28.472 -6.513 2.252 24 HG3 GLN 3 HG1 GLN 3 -27.436 -6.361 0.833 25 HE21 GLN 3 HE21 GLN 3 -29.693 -8.987 1.215 26 HE22 GLN 3 HE22 GLN 3 -30.796 -8.479 -0.014 27 H ASP 4 HN ASP 4 -27.566 -9.427 3.880 28 HA ASP 4 HA ASP 4 -25.867 -10.681 5.631 29 HB2 ASP 4 HB2 ASP 4 -28.311 -10.654 5.878 30 HB3 ASP 4 HB1 ASP 4 -28.472 -11.744 4.506 31 HA PRO 5 HA PRO 5 -25.477 -12.497 6.758 32 HB2 PRO 5 HB2 PRO 5 -23.357 -14.003 7.392 33 HB3 PRO 5 HB1 PRO 5 -24.891 -14.735 6.884 34 HG2 PRO 5 HG2 PRO 5 -22.383 -14.353 5.341 35 HG3 PRO 5 HG1 PRO 5 -23.514 -15.719 5.345 36 HD2 PRO 5 HD2 PRO 5 -23.460 -13.712 3.435 37 HD3 PRO 5 HD1 PRO 5 -24.838 -14.779 3.762 38 H GLN 6 HN GLN 6 -23.595 -11.061 4.557 39 HA GLN 6 HA GLN 6 -21.385 -10.264 6.213 40 HB2 GLN 6 HB2 GLN 6 -22.368 -9.350 3.512 41 HB3 GLN 6 HB1 GLN 6 -21.007 -8.593 4.324 42 HG2 GLN 6 HG2 GLN 6 -19.971 -10.101 2.935 43 HG3 GLN 6 HG1 GLN 6 -20.046 -10.983 4.457 44 HE21 GLN 6 HE21 GLN 6 -22.880 -10.535 2.469 45 HE22 GLN 6 HE22 GLN 6 -22.996 -12.174 1.931 46 H GLU 7 HN GLU 7 -21.537 -8.832 7.781 47 HA GLU 7 HA GLU 7 -23.882 -7.214 8.119 48 HB2 GLU 7 HB2 GLU 7 -22.665 -8.229 10.027 49 HB3 GLU 7 HB1 GLU 7 -21.287 -7.195 9.676 50 HG2 GLU 7 HG2 GLU 7 -22.620 -6.343 11.529 51 HG3 GLU 7 HG1 GLU 7 -22.597 -5.221 10.171 52 H ARG 8 HN ARG 8 -20.599 -6.764 7.044 53 HA ARG 8 HA ARG 8 -19.648 -5.143 5.766 54 HB2 ARG 8 HB2 ARG 8 -22.323 -3.762 5.951 55 HB3 ARG 8 HB1 ARG 8 -20.960 -3.160 5.021 56 HG2 ARG 8 HG2 ARG 8 -21.238 -4.676 3.374 57 HG3 ARG 8 HG1 ARG 8 -21.799 -5.937 4.477 58 HD2 ARG 8 HD2 ARG 8 -23.362 -3.582 3.433 59 HD3 ARG 8 HD1 ARG 8 -23.628 -5.286 3.070 60 HE ARG 8 HE ARG 8 -23.809 -4.767 5.866 61 HH11 ARG 8 HH11 ARG 8 -25.585 -4.556 2.852 62 HH12 ARG 8 HH12 ARG 8 -27.140 -4.556 3.628 63 HH21 ARG 8 HH21 ARG 8 -25.859 -4.794 6.876 64 HH22 ARG 8 HH22 ARG 8 -27.293 -4.694 5.906 65 HA PRO 9 HA PRO 9 -18.678 -2.926 9.648 66 HB2 PRO 9 HB2 PRO 9 -15.994 -3.242 9.431 67 HB3 PRO 9 HB1 PRO 9 -17.041 -4.508 10.101 68 HG2 PRO 9 HG2 PRO 9 -15.873 -4.283 7.369 69 HG3 PRO 9 HG1 PRO 9 -16.036 -5.706 8.417 70 HD2 PRO 9 HD2 PRO 9 -17.733 -5.185 6.364 71 HD3 PRO 9 HD1 PRO 9 -18.221 -6.060 7.829 72 H ARG 10 HN ARG 10 -17.190 -1.018 9.948 73 HA ARG 10 HA ARG 10 -17.318 0.601 7.517 74 HB2 ARG 10 HB2 ARG 10 -17.303 1.177 10.426 75 HB3 ARG 10 HB1 ARG 10 -16.581 2.384 9.371 76 HG2 ARG 10 HG2 ARG 10 -18.883 2.945 9.756 77 HG3 ARG 10 HG1 ARG 10 -18.681 2.457 8.075 78 HD2 ARG 10 HD2 ARG 10 -20.695 1.463 8.929 79 HD3 ARG 10 HD1 ARG 10 -19.498 0.193 8.681 80 HE ARG 10 HE ARG 10 -19.501 1.233 11.357 81 HH11 ARG 10 HH11 ARG 10 -21.028 -1.083 9.196 82 HH12 ARG 10 HH12 ARG 10 -21.614 -2.087 10.481 83 HH21 ARG 10 HH21 ARG 10 -20.251 -0.120 13.043 84 HH22 ARG 10 HH22 ARG 10 -21.149 -1.553 12.663 85 H LYS 11 HN LYS 11 -15.142 -1.411 8.687 86 HA LYS 11 HA LYS 11 -12.892 0.313 7.922 87 HB2 LYS 11 HB2 LYS 11 -13.090 -1.764 10.070 88 HB3 LYS 11 HB1 LYS 11 -11.534 -1.395 9.337 89 HG2 LYS 11 HG2 LYS 11 -13.322 0.670 10.610 90 HG3 LYS 11 HG1 LYS 11 -12.003 -0.152 11.444 91 HD2 LYS 11 HD2 LYS 11 -10.399 0.754 9.874 92 HD3 LYS 11 HD1 LYS 11 -11.692 1.498 8.937 93 HE2 LYS 11 HE2 LYS 11 -12.268 2.918 10.830 94 HE3 LYS 11 HE1 LYS 11 -11.010 2.152 11.799 95 HZ1 LYS 11 HZ1 LYS 11 -9.383 2.970 10.152 96 HZ2 LYS 11 HZ2 LYS 11 -10.192 4.210 10.962 97 HZ3 LYS 11 HZ3 LYS 11 -10.621 3.820 9.370 98 H LEU 12 HN LEU 12 -11.533 -0.374 6.440 99 HA LEU 12 HA LEU 12 -12.310 -2.208 4.526 100 HB2 LEU 12 HB2 LEU 12 -10.775 -0.289 4.216 101 HB3 LEU 12 HB1 LEU 12 -9.520 -1.200 5.031 102 HG LEU 12 HG LEU 12 -9.810 -2.954 3.197 103 HD11 LEU 12 HD11 LEU 12 -11.226 -0.639 1.880 104 HD12 LEU 12 HD12 LEU 12 -11.964 -2.167 2.355 105 HD13 LEU 12 HD13 LEU 12 -10.737 -2.137 1.091 106 HD21 LEU 12 HD21 LEU 12 -8.396 -1.661 1.640 107 HD22 LEU 12 HD22 LEU 12 -7.880 -1.504 3.320 108 HD23 LEU 12 HD23 LEU 12 -8.776 -0.196 2.547 109 HA PRO 13 HA PRO 13 -8.708 -5.198 6.271 110 HB2 PRO 13 HB2 PRO 13 -8.993 -5.176 9.084 111 HB3 PRO 13 HB1 PRO 13 -7.619 -4.557 8.152 112 HG2 PRO 13 HG2 PRO 13 -9.923 -3.098 9.309 113 HG3 PRO 13 HG1 PRO 13 -8.237 -2.581 9.094 114 HD2 PRO 13 HD2 PRO 13 -10.158 -1.656 7.498 115 HD3 PRO 13 HD1 PRO 13 -8.547 -2.048 6.859 116 H GLN 14 HN GLN 14 -11.610 -4.679 8.297 117 HA GLN 14 HA GLN 14 -12.066 -7.501 8.528 118 HB2 GLN 14 HB2 GLN 14 -12.697 -5.853 10.297 119 HB3 GLN 14 HB1 GLN 14 -13.957 -5.253 9.228 120 HG2 GLN 14 HG2 GLN 14 -15.085 -7.366 9.274 121 HG3 GLN 14 HG1 GLN 14 -13.766 -8.096 10.186 122 HE21 GLN 14 HE21 GLN 14 -15.193 -8.697 11.822 123 HE22 GLN 14 HE22 GLN 14 -15.815 -7.550 12.956 124 H LEU 15 HN LEU 15 -13.244 -4.937 6.454 125 HA LEU 15 HA LEU 15 -15.525 -6.244 5.453 126 HB2 LEU 15 HB2 LEU 15 -15.104 -3.859 5.101 127 HB3 LEU 15 HB1 LEU 15 -13.735 -4.244 4.075 128 HG LEU 15 HG LEU 15 -15.290 -5.351 2.476 129 HD11 LEU 15 HD11 LEU 15 -17.082 -5.909 4.024 130 HD12 LEU 15 HD12 LEU 15 -17.692 -4.934 2.688 131 HD13 LEU 15 HD13 LEU 15 -17.424 -4.198 4.268 132 HD21 LEU 15 HD21 LEU 15 -16.158 -3.320 1.530 133 HD22 LEU 15 HD22 LEU 15 -14.566 -3.000 2.220 134 HD23 LEU 15 HD23 LEU 15 -16.019 -2.491 3.081 135 H CYS 16 HN CYS 16 -12.141 -6.426 4.568 136 HA CYS 16 HA CYS 16 -12.392 -7.812 2.151 137 HB2 CYS 16 HB2 CYS 16 -10.161 -8.086 4.175 138 HB3 CYS 16 HB1 CYS 16 -10.070 -8.441 2.452 139 HG CYS 16 HG CYS 16 -10.682 -5.305 3.682 140 H THR 17 HN THR 17 -12.266 -8.970 5.489 141 HA THR 17 HA THR 17 -12.120 -11.719 4.927 142 HB THR 17 HB THR 17 -13.654 -11.013 7.325 143 HG1 THR 17 HG1 THR 17 -12.322 -9.552 8.109 144 HG21 THR 17 HG21 THR 17 -11.022 -12.423 6.862 145 HG22 THR 17 HG22 THR 17 -12.603 -13.191 7.016 146 HG23 THR 17 HG23 THR 17 -11.890 -12.355 8.396 147 H GLU 18 HN GLU 18 -14.876 -9.528 5.309 148 HA GLU 18 HA GLU 18 -16.870 -11.543 5.208 149 HB2 GLU 18 HB2 GLU 18 -17.003 -8.589 4.582 150 HB3 GLU 18 HB1 GLU 18 -18.409 -9.641 4.675 151 HG2 GLU 18 HG2 GLU 18 -17.000 -10.070 7.049 152 HG3 GLU 18 HG1 GLU 18 -16.964 -8.327 6.782 153 H LEU 19 HN LEU 19 -15.145 -9.699 2.788 154 HA LEU 19 HA LEU 19 -16.765 -10.677 0.601 155 HB2 LEU 19 HB2 LEU 19 -14.714 -8.666 0.978 156 HB3 LEU 19 HB1 LEU 19 -14.364 -9.659 -0.425 157 HG LEU 19 HG LEU 19 -17.008 -8.268 0.002 158 HD11 LEU 19 HD11 LEU 19 -14.622 -7.380 -1.609 159 HD12 LEU 19 HD12 LEU 19 -15.263 -6.593 -0.166 160 HD13 LEU 19 HD13 LEU 19 -16.219 -6.633 -1.649 161 HD21 LEU 19 HD21 LEU 19 -17.054 -10.213 -1.490 162 HD22 LEU 19 HD22 LEU 19 -15.754 -9.504 -2.446 163 HD23 LEU 19 HD23 LEU 19 -17.327 -8.711 -2.371 164 H GLN 20 HN GLN 20 -14.524 -12.016 2.545 165 HA GLN 20 HA GLN 20 -13.246 -13.881 2.520 166 HB2 GLN 20 HB2 GLN 20 -15.019 -14.383 0.148 167 HB3 GLN 20 HB1 GLN 20 -13.767 -15.530 0.600 168 HG2 GLN 20 HG2 GLN 20 -15.969 -14.598 2.424 169 HG3 GLN 20 HG1 GLN 20 -16.002 -16.091 1.486 170 HE21 GLN 20 HE21 GLN 20 -14.634 -14.432 4.205 171 HE22 GLN 20 HE22 GLN 20 -13.871 -15.813 4.918 172 H THR 21 HN THR 21 -12.219 -11.486 1.270 173 HA THR 21 HA THR 21 -10.181 -12.769 -0.385 174 HB THR 21 HB THR 21 -11.965 -11.623 -1.813 175 HG1 THR 21 HG1 THR 21 -10.331 -10.868 -3.241 176 HG21 THR 21 HG21 THR 21 -12.201 -9.591 -0.437 177 HG22 THR 21 HG22 THR 21 -11.767 -9.216 -2.105 178 HG23 THR 21 HG23 THR 21 -10.543 -9.140 -0.834 179 H THR 22 HN THR 22 -8.431 -10.910 -0.878 180 HA THR 22 HA THR 22 -7.677 -9.933 1.778 181 HB THR 22 HB THR 22 -5.409 -9.644 0.720 182 HG1 THR 22 HG1 THR 22 -6.319 -11.313 -1.371 183 HG21 THR 22 HG21 THR 22 -4.895 -12.059 0.680 184 HG22 THR 22 HG22 THR 22 -6.623 -12.413 0.656 185 HG23 THR 22 HG23 THR 22 -5.904 -11.618 2.057 186 H ILE 23 HN ILE 23 -6.291 -7.894 1.715 187 HA ILE 23 HA ILE 23 -7.876 -5.739 0.766 188 HB ILE 23 HB ILE 23 -5.015 -5.583 1.729 189 HG12 ILE 23 HG12 ILE 23 -7.520 -5.422 3.413 190 HG13 ILE 23 HG11 ILE 23 -6.520 -6.863 3.284 191 HG21 ILE 23 HG21 ILE 23 -5.651 -3.333 2.470 192 HG22 ILE 23 HG22 ILE 23 -7.259 -3.568 1.784 193 HG23 ILE 23 HG23 ILE 23 -5.847 -3.528 0.727 194 HD11 ILE 23 HD11 ILE 23 -4.627 -5.606 4.213 195 HD12 ILE 23 HD12 ILE 23 -6.009 -5.658 5.309 196 HD13 ILE 23 HD13 ILE 23 -5.671 -4.195 4.384 197 H HIS 24 HN HIS 24 -5.515 -7.662 -0.692 198 HA HIS 24 HA HIS 24 -4.588 -5.664 -2.570 199 HB2 HIS 24 HB2 HIS 24 -4.038 -8.632 -2.382 200 HB3 HIS 24 HB1 HIS 24 -3.281 -7.543 -3.540 201 HD1 HIS 24 HD1 HIS 24 -1.675 -5.663 -2.475 202 HD2 HIS 24 HD2 HIS 24 -2.880 -8.709 0.087 203 HE1 HIS 24 HE1 HIS 24 -0.116 -5.581 -0.487 204 H ASP 25 HN ASP 25 -7.190 -7.854 -2.345 205 HA ASP 25 HA ASP 25 -7.573 -7.759 -5.264 206 HB2 ASP 25 HB2 ASP 25 -7.421 -10.042 -4.473 207 HB3 ASP 25 HB1 ASP 25 -8.646 -9.740 -3.248 208 H ILE 26 HN ILE 26 -8.923 -6.846 -2.215 209 HA ILE 26 HA ILE 26 -11.601 -6.522 -3.023 210 HB ILE 26 HB ILE 26 -10.958 -6.571 -0.659 211 HG12 ILE 26 HG12 ILE 26 -12.255 -3.923 -1.309 212 HG13 ILE 26 HG11 ILE 26 -13.079 -5.468 -1.478 213 HG21 ILE 26 HG21 ILE 26 -8.881 -5.201 -0.949 214 HG22 ILE 26 HG22 ILE 26 -9.870 -4.782 0.450 215 HG23 ILE 26 HG23 ILE 26 -9.914 -3.772 -0.996 216 HD11 ILE 26 HD11 ILE 26 -13.661 -4.372 0.607 217 HD12 ILE 26 HD12 ILE 26 -11.962 -4.339 1.076 218 HD13 ILE 26 HD13 ILE 26 -12.799 -5.882 0.906 219 H ILE 27 HN ILE 27 -12.485 -5.147 -4.372 220 HA ILE 27 HA ILE 27 -11.072 -2.637 -4.991 221 HB ILE 27 HB ILE 27 -12.908 -4.254 -6.772 222 HG12 ILE 27 HG12 ILE 27 -10.681 -5.266 -6.514 223 HG13 ILE 27 HG11 ILE 27 -10.909 -4.640 -8.143 224 HG21 ILE 27 HG21 ILE 27 -12.332 -2.638 -8.523 225 HG22 ILE 27 HG22 ILE 27 -11.428 -1.691 -7.342 226 HG23 ILE 27 HG23 ILE 27 -13.174 -1.873 -7.176 227 HD11 ILE 27 HD11 ILE 27 -9.629 -2.618 -7.467 228 HD12 ILE 27 HD12 ILE 27 -8.698 -4.115 -7.431 229 HD13 ILE 27 HD13 ILE 27 -9.293 -3.410 -5.928 230 H LEU 28 HN LEU 28 -12.099 -0.834 -4.423 231 HA LEU 28 HA LEU 28 -15.016 -0.945 -4.009 232 HB2 LEU 28 HB2 LEU 28 -12.892 -0.164 -2.211 233 HB3 LEU 28 HB1 LEU 28 -13.984 1.178 -2.484 234 HG LEU 28 HG LEU 28 -15.881 -0.211 -1.756 235 HD11 LEU 28 HD11 LEU 28 -13.762 -2.294 -1.252 236 HD12 LEU 28 HD12 LEU 28 -15.099 -2.401 -2.397 237 HD13 LEU 28 HD13 LEU 28 -15.423 -2.379 -0.663 238 HD21 LEU 28 HD21 LEU 28 -13.570 -0.115 0.180 239 HD22 LEU 28 HD22 LEU 28 -15.261 -0.353 0.622 240 HD23 LEU 28 HD23 LEU 28 -14.746 1.167 -0.115 241 H GLU 29 HN GLU 29 -16.200 0.965 -4.505 242 HA GLU 29 HA GLU 29 -14.807 2.701 -6.426 243 HB2 GLU 29 HB2 GLU 29 -17.202 3.189 -7.214 244 HB3 GLU 29 HB1 GLU 29 -16.510 1.625 -7.614 245 HG2 GLU 29 HG2 GLU 29 -17.740 0.588 -5.797 246 HG3 GLU 29 HG1 GLU 29 -18.392 2.156 -5.324 247 H CYS 30 HN CYS 30 -15.321 4.954 -6.433 248 HA CYS 30 HA CYS 30 -15.464 6.074 -3.834 249 HB2 CYS 30 HB2 CYS 30 -14.238 7.111 -5.732 250 HB3 CYS 30 HB1 CYS 30 -15.779 7.484 -6.491 251 H VAL 31 HN VAL 31 -17.048 7.262 -2.846 252 HA VAL 31 HA VAL 31 -19.752 6.534 -3.537 253 HB VAL 31 HB VAL 31 -19.126 6.496 -1.202 254 HG11 VAL 31 HG11 VAL 31 -18.491 9.419 -1.544 255 HG12 VAL 31 HG12 VAL 31 -17.358 8.117 -1.176 256 HG13 VAL 31 HG13 VAL 31 -18.579 8.587 0.009 257 HG21 VAL 31 HG21 VAL 31 -20.960 8.855 -1.582 258 HG22 VAL 31 HG22 VAL 31 -20.935 7.708 -0.243 259 HG23 VAL 31 HG23 VAL 31 -21.449 7.181 -1.845 260 H TYR 32 HN TYR 32 -17.695 9.322 -3.898 261 HA TYR 32 HA TYR 32 -19.951 11.073 -4.429 262 HB2 TYR 32 HB2 TYR 32 -16.978 11.610 -4.451 263 HB3 TYR 32 HB1 TYR 32 -18.217 12.827 -4.741 264 HD1 TYR 32 HD2 TYR 32 -19.921 13.247 -2.869 265 HD2 TYR 32 HD1 TYR 32 -16.291 11.113 -2.270 266 HE1 TYR 32 HE2 TYR 32 -20.086 13.657 -0.450 267 HE2 TYR 32 HE1 TYR 32 -16.446 11.516 0.151 268 HH TYR 32 HH TYR 32 -17.485 12.985 1.716 269 H CYS 33 HN CYS 33 -16.980 10.270 -6.266 270 HA CYS 33 HA CYS 33 -18.342 11.090 -8.699 271 HB2 CYS 33 HB2 CYS 33 -16.013 10.474 -9.669 272 HB3 CYS 33 HB1 CYS 33 -16.182 11.911 -8.667 273 H LYS 34 HN LYS 34 -17.967 8.252 -6.985 274 HA LYS 34 HA LYS 34 -18.440 6.074 -7.395 275 HB2 LYS 34 HB2 LYS 34 -19.718 7.201 -9.894 276 HB3 LYS 34 HB1 LYS 34 -19.880 5.533 -9.364 277 HG2 LYS 34 HG2 LYS 34 -21.774 6.324 -8.430 278 HG3 LYS 34 HG1 LYS 34 -20.675 6.787 -7.128 279 HD2 LYS 34 HD2 LYS 34 -20.437 9.015 -8.199 280 HD3 LYS 34 HD1 LYS 34 -21.656 8.537 -9.381 281 HE2 LYS 34 HE2 LYS 34 -23.326 8.347 -7.674 282 HE3 LYS 34 HE1 LYS 34 -22.120 8.560 -6.403 283 HZ1 LYS 34 HZ1 LYS 34 -23.353 10.599 -6.780 284 HZ2 LYS 34 HZ2 LYS 34 -22.901 10.606 -8.410 285 HZ3 LYS 34 HZ3 LYS 34 -21.728 10.810 -7.210 286 H GLN 35 HN GLN 35 -15.902 7.204 -8.313 287 HA GLN 35 HA GLN 35 -15.268 5.760 -10.748 288 HB2 GLN 35 HB2 GLN 35 -13.486 7.310 -8.860 289 HB3 GLN 35 HB1 GLN 35 -12.996 6.662 -10.418 290 HG2 GLN 35 HG2 GLN 35 -15.114 8.755 -9.990 291 HG3 GLN 35 HG1 GLN 35 -13.456 9.065 -10.497 292 HE21 GLN 35 HE21 GLN 35 -16.584 8.003 -11.447 293 HE22 GLN 35 HE22 GLN 35 -16.260 7.856 -13.140 294 H GLN 36 HN GLN 36 -13.785 4.040 -10.876 295 HA GLN 36 HA GLN 36 -13.847 2.269 -8.601 296 HB2 GLN 36 HB2 GLN 36 -14.171 1.454 -10.927 297 HB3 GLN 36 HB1 GLN 36 -12.515 1.911 -11.295 298 HG2 GLN 36 HG2 GLN 36 -11.697 0.312 -9.654 299 HG3 GLN 36 HG1 GLN 36 -13.354 -0.134 -9.256 300 HE21 GLN 36 HE21 GLN 36 -12.282 0.569 -12.499 301 HE22 GLN 36 HE22 GLN 36 -12.426 -1.043 -13.105 302 H LEU 37 HN LEU 37 -12.417 2.450 -7.013 303 HA LEU 37 HA LEU 37 -9.943 3.871 -7.368 304 HB2 LEU 37 HB2 LEU 37 -11.401 2.654 -5.086 305 HB3 LEU 37 HB1 LEU 37 -9.670 2.863 -4.915 306 HG LEU 37 HG LEU 37 -10.172 5.327 -5.642 307 HD11 LEU 37 HD11 LEU 37 -12.503 5.013 -6.213 308 HD12 LEU 37 HD12 LEU 37 -12.357 6.103 -4.835 309 HD13 LEU 37 HD13 LEU 37 -12.850 4.428 -4.584 310 HD21 LEU 37 HD21 LEU 37 -9.238 4.793 -3.514 311 HD22 LEU 37 HD22 LEU 37 -10.780 4.167 -2.932 312 HD23 LEU 37 HD23 LEU 37 -10.592 5.891 -3.247 313 H LEU 38 HN LEU 38 -7.978 3.069 -7.704 314 HA LEU 38 HA LEU 38 -7.659 0.281 -8.284 315 HB2 LEU 38 HB2 LEU 38 -5.584 2.471 -8.090 316 HB3 LEU 38 HB1 LEU 38 -5.325 0.876 -8.769 317 HG LEU 38 HG LEU 38 -7.214 2.948 -9.891 318 HD11 LEU 38 HD11 LEU 38 -4.486 2.056 -10.817 319 HD12 LEU 38 HD12 LEU 38 -4.900 3.637 -10.149 320 HD13 LEU 38 HD13 LEU 38 -5.568 3.131 -11.702 321 HD21 LEU 38 HD21 LEU 38 -7.290 1.431 -11.836 322 HD22 LEU 38 HD22 LEU 38 -7.960 0.697 -10.380 323 HD23 LEU 38 HD23 LEU 38 -6.344 0.251 -10.929 324 H ARG 39 HN ARG 39 -6.136 -1.129 -7.236 325 HA ARG 39 HA ARG 39 -6.411 -1.303 -4.485 326 HB2 ARG 39 HB2 ARG 39 -4.735 -3.042 -4.548 327 HB3 ARG 39 HB1 ARG 39 -5.745 -3.166 -5.982 328 HG2 ARG 39 HG2 ARG 39 -4.006 -2.003 -7.281 329 HG3 ARG 39 HG1 ARG 39 -2.986 -1.968 -5.843 330 HD2 ARG 39 HD2 ARG 39 -3.047 -4.432 -5.778 331 HD3 ARG 39 HD1 ARG 39 -4.007 -4.423 -7.255 332 HE ARG 39 HE ARG 39 -1.321 -3.225 -7.202 333 HH11 ARG 39 HH11 ARG 39 -3.587 -5.565 -8.494 334 HH12 ARG 39 HH12 ARG 39 -2.566 -6.005 -9.821 335 HH21 ARG 39 HH21 ARG 39 0.029 -3.808 -8.943 336 HH22 ARG 39 HH22 ARG 39 -0.513 -5.012 -10.077 337 H ARG 40 HN ARG 40 -4.025 0.394 -6.352 338 HA ARG 40 HA ARG 40 -2.000 0.779 -4.491 339 HB2 ARG 40 HB2 ARG 40 -2.063 1.371 -6.970 340 HB3 ARG 40 HB1 ARG 40 -2.894 2.844 -6.494 341 HG2 ARG 40 HG2 ARG 40 -0.962 3.438 -5.081 342 HG3 ARG 40 HG1 ARG 40 -0.129 1.998 -5.668 343 HD2 ARG 40 HD2 ARG 40 0.634 3.855 -6.964 344 HD3 ARG 40 HD1 ARG 40 -0.410 2.875 -7.991 345 HE ARG 40 HE ARG 40 -1.874 4.962 -6.698 346 HH11 ARG 40 HH11 ARG 40 0.246 4.275 -9.415 347 HH12 ARG 40 HH12 ARG 40 -0.261 5.663 -10.321 348 HH21 ARG 40 HH21 ARG 40 -2.549 6.766 -7.896 349 HH22 ARG 40 HH22 ARG 40 -1.875 7.071 -9.468 350 H GLU 41 HN GLU 41 -4.869 2.775 -5.130 351 HA GLU 41 HA GLU 41 -4.266 4.657 -3.065 352 HB2 GLU 41 HB2 GLU 41 -6.960 4.195 -4.338 353 HB3 GLU 41 HB1 GLU 41 -6.362 5.671 -3.596 354 HG2 GLU 41 HG2 GLU 41 -5.515 4.447 -6.207 355 HG3 GLU 41 HG1 GLU 41 -6.323 5.992 -5.945 356 H VAL 42 HN VAL 42 -6.099 1.711 -3.313 357 HA VAL 42 HA VAL 42 -7.671 1.908 -1.006 358 HB VAL 42 HB VAL 42 -6.539 -0.537 -2.382 359 HG11 VAL 42 HG11 VAL 42 -8.312 -1.800 -1.226 360 HG12 VAL 42 HG12 VAL 42 -8.697 -0.361 -0.283 361 HG13 VAL 42 HG13 VAL 42 -7.120 -1.132 -0.108 362 HG21 VAL 42 HG21 VAL 42 -8.793 -0.719 -3.342 363 HG22 VAL 42 HG22 VAL 42 -8.003 0.793 -3.790 364 HG23 VAL 42 HG23 VAL 42 -9.247 0.785 -2.540 365 H TYR 43 HN TYR 43 -4.332 0.853 -1.459 366 HA TYR 43 HA TYR 43 -3.974 -0.193 1.148 367 HB2 TYR 43 HB2 TYR 43 -1.870 0.987 -0.675 368 HB3 TYR 43 HB1 TYR 43 -1.582 -0.067 0.704 369 HD1 TYR 43 HD1 TYR 43 -3.810 -2.056 0.194 370 HD2 TYR 43 HD2 TYR 43 -0.936 -0.294 -2.401 371 HE1 TYR 43 HE1 TYR 43 -3.946 -4.015 -1.280 372 HE2 TYR 43 HE2 TYR 43 -1.066 -2.249 -3.883 373 HH TYR 43 HH TYR 43 -3.517 -4.533 -3.697 374 H ASP 44 HN ASP 44 -3.696 3.037 -0.192 375 HA ASP 44 HA ASP 44 -2.412 4.166 2.098 376 HB2 ASP 44 HB2 ASP 44 -2.984 5.046 -0.489 377 HB3 ASP 44 HB1 ASP 44 -3.945 6.089 0.556 378 H PHE 45 HN PHE 45 -5.654 3.455 1.204 379 HA PHE 45 HA PHE 45 -7.067 5.192 2.903 380 HB2 PHE 45 HB2 PHE 45 -7.987 3.754 1.024 381 HB3 PHE 45 HB1 PHE 45 -7.894 2.387 2.127 382 HD1 PHE 45 HD1 PHE 45 -9.585 5.560 1.398 383 HD2 PHE 45 HD2 PHE 45 -9.474 2.117 3.904 384 HE1 PHE 45 HE1 PHE 45 -11.822 6.112 2.256 385 HE2 PHE 45 HE2 PHE 45 -11.711 2.669 4.765 386 HZ PHE 45 HZ PHE 45 -12.887 4.668 3.941 387 H ALA 46 HN ALA 46 -5.525 2.092 3.427 388 HA ALA 46 HA ALA 46 -6.554 1.829 6.119 389 HB1 ALA 46 HB1 ALA 46 -6.223 -0.162 4.745 390 HB2 ALA 46 HB2 ALA 46 -5.223 -0.219 6.198 391 HB3 ALA 46 HB3 ALA 46 -4.501 0.190 4.641 392 H PHE 47 HN PHE 47 -3.741 3.035 4.509 393 HA PHE 47 HA PHE 47 -1.935 3.011 6.692 394 HB2 PHE 47 HB2 PHE 47 -1.825 3.670 3.988 395 HB3 PHE 47 HB1 PHE 47 -1.505 5.190 4.813 396 HD1 PHE 47 HD1 PHE 47 -0.315 1.781 4.208 397 HD2 PHE 47 HD2 PHE 47 0.503 5.504 6.099 398 HE1 PHE 47 HE1 PHE 47 2.021 1.088 4.560 399 HE2 PHE 47 HE2 PHE 47 2.838 4.812 6.456 400 HZ PHE 47 HZ PHE 47 3.597 2.604 5.685 401 H ARG 48 HN ARG 48 -4.230 5.398 5.460 402 HA ARG 48 HA ARG 48 -3.543 7.251 7.615 403 HB2 ARG 48 HB2 ARG 48 -5.593 7.618 5.426 404 HB3 ARG 48 HB1 ARG 48 -4.926 8.859 6.473 405 HG2 ARG 48 HG2 ARG 48 -2.727 8.535 5.443 406 HG3 ARG 48 HG1 ARG 48 -3.423 7.320 4.368 407 HD2 ARG 48 HD2 ARG 48 -5.102 9.202 3.755 408 HD3 ARG 48 HD1 ARG 48 -3.884 10.273 4.441 409 HE ARG 48 HE ARG 48 -2.809 8.438 2.505 410 HH11 ARG 48 HH11 ARG 48 -4.400 11.539 2.926 411 HH12 ARG 48 HH12 ARG 48 -3.865 12.161 1.400 412 HH21 ARG 48 HH21 ARG 48 -2.102 9.242 0.516 413 HH22 ARG 48 HH22 ARG 48 -2.533 10.852 0.025 414 H ASP 49 HN ASP 49 -5.681 8.409 8.499 415 HA ASP 49 HA ASP 49 -7.285 6.235 9.623 416 HB2 ASP 49 HB2 ASP 49 -6.202 7.908 11.149 417 HB3 ASP 49 HB1 ASP 49 -7.250 9.145 10.459 418 H LEU 50 HN LEU 50 -8.725 5.760 8.040 419 HA LEU 50 HA LEU 50 -10.744 7.807 7.499 420 HB2 LEU 50 HB2 LEU 50 -9.221 6.165 5.512 421 HB3 LEU 50 HB1 LEU 50 -10.869 6.643 5.156 422 HG LEU 50 HG LEU 50 -8.784 8.675 5.905 423 HD11 LEU 50 HD11 LEU 50 -9.404 7.585 3.166 424 HD12 LEU 50 HD12 LEU 50 -7.861 7.497 4.016 425 HD13 LEU 50 HD13 LEU 50 -8.485 9.057 3.477 426 HD21 LEU 50 HD21 LEU 50 -10.288 10.148 4.604 427 HD22 LEU 50 HD22 LEU 50 -11.070 9.430 6.012 428 HD23 LEU 50 HD23 LEU 50 -11.394 8.789 4.400 429 H CYS 51 HN CYS 51 -12.806 6.911 6.804 430 HA CYS 51 HA CYS 51 -13.202 4.143 7.721 431 HB2 CYS 51 HB2 CYS 51 -15.006 6.535 8.154 432 HB3 CYS 51 HB1 CYS 51 -15.451 4.871 8.519 433 HG CYS 51 HG CYS 51 -12.751 6.384 9.972 434 H ILE 52 HN ILE 52 -14.946 3.005 6.680 435 HA ILE 52 HA ILE 52 -15.121 3.696 3.887 436 HB ILE 52 HB ILE 52 -16.308 1.373 5.412 437 HG12 ILE 52 HG12 ILE 52 -13.859 1.624 3.648 438 HG13 ILE 52 HG11 ILE 52 -13.882 1.310 5.380 439 HG21 ILE 52 HG21 ILE 52 -16.098 1.741 2.425 440 HG22 ILE 52 HG22 ILE 52 -17.575 1.955 3.365 441 HG23 ILE 52 HG23 ILE 52 -16.808 0.370 3.279 442 HD11 ILE 52 HD11 ILE 52 -13.426 -0.667 3.922 443 HD12 ILE 52 HD12 ILE 52 -15.093 -0.549 3.357 444 HD13 ILE 52 HD13 ILE 52 -14.758 -0.862 5.062 445 H VAL 53 HN VAL 53 -16.690 4.737 2.932 446 HA VAL 53 HA VAL 53 -19.033 5.527 4.466 447 HB VAL 53 HB VAL 53 -19.389 6.755 2.079 448 HG11 VAL 53 HG11 VAL 53 -18.316 8.733 3.106 449 HG12 VAL 53 HG12 VAL 53 -17.630 7.687 4.347 450 HG13 VAL 53 HG13 VAL 53 -19.378 7.877 4.222 451 HG21 VAL 53 HG21 VAL 53 -16.395 6.571 2.409 452 HG22 VAL 53 HG22 VAL 53 -17.264 7.526 1.208 453 HG23 VAL 53 HG23 VAL 53 -17.329 5.764 1.149 454 H TYR 54 HN TYR 54 -20.940 4.564 4.225 455 HA TYR 54 HA TYR 54 -21.259 2.693 1.988 456 HB2 TYR 54 HB2 TYR 54 -22.375 2.786 4.767 457 HB3 TYR 54 HB1 TYR 54 -23.231 1.898 3.509 458 HD1 TYR 54 HD2 TYR 54 -19.996 2.141 5.297 459 HD2 TYR 54 HD1 TYR 54 -22.507 -0.234 2.820 460 HE1 TYR 54 HE2 TYR 54 -18.488 0.227 5.615 461 HE2 TYR 54 HE1 TYR 54 -21.004 -2.152 3.129 462 HH TYR 54 HH TYR 54 -18.368 -2.068 5.420 463 H ARG 55 HN ARG 55 -22.299 3.538 0.340 464 HA ARG 55 HA ARG 55 -24.398 5.516 0.773 465 HB2 ARG 55 HB2 ARG 55 -22.504 5.612 -1.026 466 HB3 ARG 55 HB1 ARG 55 -23.522 4.494 -1.915 467 HG2 ARG 55 HG2 ARG 55 -24.659 7.058 -0.897 468 HG3 ARG 55 HG1 ARG 55 -23.683 7.042 -2.364 469 HD2 ARG 55 HD2 ARG 55 -26.305 5.682 -1.832 470 HD3 ARG 55 HD1 ARG 55 -25.902 6.832 -3.103 471 HE ARG 55 HE ARG 55 -24.283 4.684 -3.588 472 HH11 ARG 55 HH11 ARG 55 -27.722 5.200 -3.282 473 HH12 ARG 55 HH12 ARG 55 -28.147 3.853 -4.290 474 HH21 ARG 55 HH21 ARG 55 -24.824 2.896 -4.926 475 HH22 ARG 55 HH22 ARG 55 -26.502 2.536 -5.218 476 H ASP 56 HN ASP 56 -26.390 4.820 1.065 477 HA ASP 56 HA ASP 56 -28.367 3.728 0.794 478 HB2 ASP 56 HB2 ASP 56 -28.079 3.730 -1.606 479 HB3 ASP 56 HB1 ASP 56 -26.963 2.374 -1.519 480 H GLY 57 HN GLY 57 -25.789 1.385 0.122 481 HA2 GLY 57 HA2 GLY 57 -25.806 0.096 2.580 482 HA3 GLY 57 HA1 GLY 57 -26.997 -0.724 1.577 483 H ASN 58 HN ASN 58 -24.163 0.784 0.238 484 HA ASN 58 HA ASN 58 -22.952 -1.864 -0.198 485 HB2 ASN 58 HB2 ASN 58 -23.547 0.297 -2.201 486 HB3 ASN 58 HB1 ASN 58 -22.181 -0.783 -2.454 487 HD21 ASN 58 HD21 ASN 58 -25.630 -0.495 -2.356 488 HD22 ASN 58 HD22 ASN 58 -25.988 -2.050 -3.019 489 HA PRO 59 HA PRO 59 -19.307 0.106 1.327 490 HB2 PRO 59 HB2 PRO 59 -17.379 -1.463 0.247 491 HB3 PRO 59 HB1 PRO 59 -18.447 -2.025 1.550 492 HG2 PRO 59 HG2 PRO 59 -18.599 -2.563 -1.374 493 HG3 PRO 59 HG1 PRO 59 -18.869 -3.660 -0.007 494 HD2 PRO 59 HD2 PRO 59 -20.898 -2.497 -1.403 495 HD3 PRO 59 HD1 PRO 59 -21.024 -2.963 0.304 496 H TYR 60 HN TYR 60 -18.663 2.034 0.654 497 HA TYR 60 HA TYR 60 -17.554 2.280 -2.062 498 HB2 TYR 60 HB2 TYR 60 -19.242 4.231 -0.500 499 HB3 TYR 60 HB1 TYR 60 -18.247 4.733 -1.859 500 HD1 TYR 60 HD2 TYR 60 -21.164 2.716 -0.866 501 HD2 TYR 60 HD1 TYR 60 -18.928 4.304 -4.114 502 HE1 TYR 60 HE2 TYR 60 -23.002 2.161 -2.394 503 HE2 TYR 60 HE1 TYR 60 -20.766 3.754 -5.654 504 HH TYR 60 HH TYR 60 -22.689 2.184 -5.756 505 H ALA 61 HN ALA 61 -15.894 3.923 -2.273 506 HA ALA 61 HA ALA 61 -14.439 4.374 0.251 507 HB1 ALA 61 HB1 ALA 61 -13.304 2.653 -1.011 508 HB2 ALA 61 HB2 ALA 61 -12.341 4.130 -1.025 509 HB3 ALA 61 HB3 ALA 61 -13.281 3.679 -2.445 510 H VAL 62 HN VAL 62 -12.471 5.996 -0.533 511 HA VAL 62 HA VAL 62 -13.760 8.269 -1.881 512 HB VAL 62 HB VAL 62 -11.913 8.615 0.482 513 HG11 VAL 62 HG11 VAL 62 -12.893 10.847 0.574 514 HG12 VAL 62 HG12 VAL 62 -13.936 10.454 -0.793 515 HG13 VAL 62 HG13 VAL 62 -12.187 10.530 -1.012 516 HG21 VAL 62 HG21 VAL 62 -13.825 7.363 1.306 517 HG22 VAL 62 HG22 VAL 62 -14.928 8.514 0.554 518 HG23 VAL 62 HG23 VAL 62 -13.890 9.028 1.884 519 H CYS 63 HN CYS 63 -12.575 8.836 -3.616 520 HA CYS 63 HA CYS 63 -9.881 7.864 -3.927 521 HB2 CYS 63 HB2 CYS 63 -10.015 9.141 -6.116 522 HB3 CYS 63 HB1 CYS 63 -11.204 7.863 -5.905 523 H ASP 64 HN ASP 64 -8.211 9.490 -4.823 524 HA ASP 64 HA ASP 64 -7.406 11.188 -2.794 525 HB2 ASP 64 HB2 ASP 64 -5.751 10.488 -4.309 526 HB3 ASP 64 HB1 ASP 64 -6.668 11.038 -5.706 527 H LYS 65 HN LYS 65 -9.360 11.927 -5.621 528 HA LYS 65 HA LYS 65 -9.261 14.743 -5.419 529 HB2 LYS 65 HB2 LYS 65 -11.498 13.073 -6.569 530 HB3 LYS 65 HB1 LYS 65 -11.152 14.758 -6.927 531 HG2 LYS 65 HG2 LYS 65 -9.850 14.137 -8.598 532 HG3 LYS 65 HG1 LYS 65 -8.812 13.266 -7.469 533 HD2 LYS 65 HD2 LYS 65 -9.602 11.782 -9.224 534 HD3 LYS 65 HD1 LYS 65 -10.260 11.298 -7.660 535 HE2 LYS 65 HE2 LYS 65 -12.215 12.941 -8.473 536 HE3 LYS 65 HE1 LYS 65 -11.619 12.404 -10.042 537 HZ1 LYS 65 HZ1 LYS 65 -13.408 10.994 -9.194 538 HZ2 LYS 65 HZ2 LYS 65 -12.471 10.604 -7.837 539 HZ3 LYS 65 HZ3 LYS 65 -11.967 10.131 -9.383 540 H CYS 66 HN CYS 66 -11.839 12.469 -4.471 541 HA CYS 66 HA CYS 66 -13.350 14.460 -3.131 542 HB2 CYS 66 HB2 CYS 66 -13.571 11.486 -2.709 543 HB3 CYS 66 HB1 CYS 66 -14.835 12.707 -2.564 544 H LEU 67 HN LEU 67 -10.700 12.475 -2.223 545 HA LEU 67 HA LEU 67 -11.022 12.220 0.512 546 HB2 LEU 67 HB2 LEU 67 -9.066 11.577 -1.255 547 HB3 LEU 67 HB1 LEU 67 -8.301 12.901 -0.399 548 HG LEU 67 HG LEU 67 -9.549 10.712 1.191 549 HD11 LEU 67 HD11 LEU 67 -6.859 10.534 -0.162 550 HD12 LEU 67 HD12 LEU 67 -8.266 9.523 -0.492 551 HD13 LEU 67 HD13 LEU 67 -7.461 9.430 1.074 552 HD21 LEU 67 HD21 LEU 67 -8.648 12.699 2.304 553 HD22 LEU 67 HD22 LEU 67 -7.076 12.400 1.565 554 HD23 LEU 67 HD23 LEU 67 -7.736 11.251 2.728 555 H LYS 68 HN LYS 68 -9.438 14.879 -1.253 556 HA LYS 68 HA LYS 68 -9.129 16.394 1.186 557 HB2 LYS 68 HB2 LYS 68 -8.436 18.233 -0.567 558 HB3 LYS 68 HB1 LYS 68 -7.352 16.926 -0.136 559 HG2 LYS 68 HG2 LYS 68 -8.771 15.915 -2.283 560 HG3 LYS 68 HG1 LYS 68 -8.518 17.607 -2.696 561 HD2 LYS 68 HD2 LYS 68 -6.124 17.361 -2.294 562 HD3 LYS 68 HD1 LYS 68 -6.361 15.668 -1.857 563 HE2 LYS 68 HE2 LYS 68 -7.277 15.265 -4.126 564 HE3 LYS 68 HE1 LYS 68 -6.887 16.933 -4.540 565 HZ1 LYS 68 HZ1 LYS 68 -5.059 15.816 -5.301 566 HZ2 LYS 68 HZ2 LYS 68 -5.078 14.666 -4.058 567 HZ3 LYS 68 HZ3 LYS 68 -4.532 16.245 -3.750 568 H PHE 69 HN PHE 69 -11.587 15.943 -1.071 569 HA PHE 69 HA PHE 69 -12.778 18.544 -0.845 570 HB2 PHE 69 HB2 PHE 69 -13.110 16.950 -2.798 571 HB3 PHE 69 HB1 PHE 69 -14.152 16.007 -1.740 572 HD1 PHE 69 HD1 PHE 69 -13.838 19.699 -2.251 573 HD2 PHE 69 HD2 PHE 69 -16.320 16.247 -2.482 574 HE1 PHE 69 HE1 PHE 69 -15.756 21.115 -2.856 575 HE2 PHE 69 HE2 PHE 69 -18.240 17.658 -3.086 576 HZ PHE 69 HZ PHE 69 -17.961 20.100 -3.271 577 H TYR 70 HN TYR 70 -13.598 15.307 0.447 578 HA TYR 70 HA TYR 70 -14.881 16.647 2.734 579 HB2 TYR 70 HB2 TYR 70 -16.139 14.795 0.786 580 HB3 TYR 70 HB1 TYR 70 -16.523 14.528 2.483 581 HD1 TYR 70 HD2 TYR 70 -17.081 16.830 3.782 582 HD2 TYR 70 HD1 TYR 70 -17.567 16.146 -0.385 583 HE1 TYR 70 HE2 TYR 70 -18.763 18.620 3.689 584 HE2 TYR 70 HE1 TYR 70 -19.250 17.932 -0.487 585 HH TYR 70 HH TYR 70 -20.784 19.080 0.993 586 H MET 1 HT1 MET 1 23.096 2.689 -1.731 587 HA MET 1 HA MET 1 24.948 1.346 -1.657 588 HB2 MET 1 HB2 MET 1 26.301 3.627 -2.376 589 HB3 MET 1 HB1 MET 1 26.887 3.364 -0.740 590 HG2 MET 1 HG2 MET 1 26.922 1.245 -2.873 591 HG3 MET 1 HG1 MET 1 28.266 2.339 -2.559 592 HE1 MET 1 HE1 MET 1 29.508 -1.094 -1.118 593 HE2 MET 1 HE2 MET 1 29.888 0.245 -2.202 594 HE3 MET 1 HE3 MET 1 28.523 -0.815 -2.555 595 H PHE 2 HN PHE 2 25.294 0.206 0.194 596 HA PHE 2 HA PHE 2 25.234 1.638 2.751 597 HB2 PHE 2 HB2 PHE 2 23.013 0.254 1.778 598 HB3 PHE 2 HB1 PHE 2 23.760 -0.865 2.912 599 HD1 PHE 2 HD1 PHE 2 23.352 2.843 2.906 600 HD2 PHE 2 HD2 PHE 2 22.583 -0.843 4.882 601 HE1 PHE 2 HE1 PHE 2 22.305 4.062 4.768 602 HE2 PHE 2 HE2 PHE 2 21.536 0.368 6.746 603 HZ PHE 2 HZ PHE 2 21.392 2.826 6.691 604 H GLN 3 HN GLN 3 27.098 1.139 3.645 605 HA GLN 3 HA GLN 3 27.947 -1.673 3.676 606 HB2 GLN 3 HB2 GLN 3 30.201 -1.134 3.197 607 HB3 GLN 3 HB1 GLN 3 29.259 -0.248 2.011 608 HG2 GLN 3 HG2 GLN 3 30.446 0.909 4.526 609 HG3 GLN 3 HG1 GLN 3 31.119 1.069 2.905 610 HE21 GLN 3 HE21 GLN 3 28.766 2.178 5.149 611 HE22 GLN 3 HE22 GLN 3 28.141 3.475 4.187 612 H ASP 4 HN ASP 4 30.162 -1.421 5.295 613 HA ASP 4 HA ASP 4 29.084 -1.272 7.854 614 HB2 ASP 4 HB2 ASP 4 31.283 -1.578 8.666 615 HB3 ASP 4 HB1 ASP 4 31.286 -2.353 7.088 616 HA PRO 5 HA PRO 5 29.904 -0.822 9.867 617 HB2 PRO 5 HB2 PRO 5 29.159 0.458 12.089 618 HB3 PRO 5 HB1 PRO 5 30.784 0.681 11.413 619 HG2 PRO 5 HG2 PRO 5 28.436 2.486 11.298 620 HG3 PRO 5 HG1 PRO 5 30.160 2.876 11.443 621 HD2 PRO 5 HD2 PRO 5 28.656 2.939 9.084 622 HD3 PRO 5 HD1 PRO 5 30.425 2.966 9.196 623 H GLN 6 HN GLN 6 27.500 0.302 8.195 624 HA GLN 6 HA GLN 6 25.219 -0.054 9.859 625 HB2 GLN 6 HB2 GLN 6 25.365 -0.298 6.848 626 HB3 GLN 6 HB1 GLN 6 23.926 -0.001 7.813 627 HG2 GLN 6 HG2 GLN 6 26.265 1.859 7.458 628 HG3 GLN 6 HG1 GLN 6 24.650 2.045 6.775 629 HE21 GLN 6 HE21 GLN 6 22.959 2.658 8.106 630 HE22 GLN 6 HE22 GLN 6 23.215 3.344 9.670 631 H GLU 7 HN GLU 7 23.864 -1.823 10.072 632 HA GLU 7 HA GLU 7 25.212 -4.358 9.824 633 HB2 GLU 7 HB2 GLU 7 23.851 -3.764 11.809 634 HB3 GLU 7 HB1 GLU 7 22.414 -3.769 10.794 635 HG2 GLU 7 HG2 GLU 7 22.659 -6.108 10.356 636 HG3 GLU 7 HG1 GLU 7 24.210 -6.147 11.190 637 H ARG 8 HN ARG 8 22.596 -2.667 8.241 638 HA ARG 8 HA ARG 8 21.522 -3.019 6.276 639 HB2 ARG 8 HB2 ARG 8 23.683 -5.088 5.946 640 HB3 ARG 8 HB1 ARG 8 22.427 -4.853 4.737 641 HG2 ARG 8 HG2 ARG 8 23.167 -2.692 4.229 642 HG3 ARG 8 HG1 ARG 8 24.140 -2.585 5.696 643 HD2 ARG 8 HD2 ARG 8 24.684 -4.561 3.493 644 HD3 ARG 8 HD1 ARG 8 25.410 -2.955 3.551 645 HE ARG 8 HE ARG 8 25.761 -4.587 5.926 646 HH11 ARG 8 HH11 ARG 8 27.081 -3.474 2.885 647 HH12 ARG 8 HH12 ARG 8 28.712 -3.913 3.278 648 HH21 ARG 8 HH21 ARG 8 27.911 -5.150 6.468 649 HH22 ARG 8 HH22 ARG 8 29.185 -4.859 5.326 650 HA PRO 9 HA PRO 9 19.058 -6.315 8.296 651 HB2 PRO 9 HB2 PRO 9 16.765 -4.896 8.446 652 HB3 PRO 9 HB1 PRO 9 18.067 -4.706 9.634 653 HG2 PRO 9 HG2 PRO 9 17.357 -2.977 7.322 654 HG3 PRO 9 HG1 PRO 9 17.877 -2.523 8.958 655 HD2 PRO 9 HD2 PRO 9 19.538 -2.546 6.779 656 HD3 PRO 9 HD1 PRO 9 20.089 -2.740 8.455 657 H ARG 10 HN ARG 10 16.858 -7.194 7.603 658 HA ARG 10 HA ARG 10 16.797 -7.218 4.672 659 HB2 ARG 10 HB2 ARG 10 16.226 -9.198 6.783 660 HB3 ARG 10 HB1 ARG 10 15.153 -9.252 5.393 661 HG2 ARG 10 HG2 ARG 10 16.978 -10.784 5.073 662 HG3 ARG 10 HG1 ARG 10 17.116 -9.458 3.918 663 HD2 ARG 10 HD2 ARG 10 18.691 -8.373 5.604 664 HD3 ARG 10 HD1 ARG 10 18.719 -9.939 6.417 665 HE ARG 10 HE ARG 10 19.288 -10.362 3.721 666 HH11 ARG 10 HH11 ARG 10 20.728 -8.767 6.486 667 HH12 ARG 10 HH12 ARG 10 22.355 -9.017 5.946 668 HH21 ARG 10 HH21 ARG 10 21.434 -10.662 2.984 669 HH22 ARG 10 HH22 ARG 10 22.758 -10.089 3.946 670 H LYS 11 HN LYS 11 15.077 -5.938 7.277 671 HA LYS 11 HA LYS 11 12.579 -5.838 5.733 672 HB2 LYS 11 HB2 LYS 11 13.119 -5.375 8.668 673 HB3 LYS 11 HB1 LYS 11 11.567 -5.062 7.903 674 HG2 LYS 11 HG2 LYS 11 11.464 -7.447 7.242 675 HG3 LYS 11 HG1 LYS 11 12.956 -7.724 8.150 676 HD2 LYS 11 HD2 LYS 11 11.932 -7.267 10.198 677 HD3 LYS 11 HD1 LYS 11 10.571 -6.441 9.436 678 HE2 LYS 11 HE2 LYS 11 9.921 -8.646 8.439 679 HE3 LYS 11 HE1 LYS 11 11.163 -9.393 9.445 680 HZ1 LYS 11 HZ1 LYS 11 10.015 -8.874 11.379 681 HZ2 LYS 11 HZ2 LYS 11 8.783 -9.344 10.322 682 HZ3 LYS 11 HZ3 LYS 11 9.050 -7.704 10.632 683 H LEU 12 HN LEU 12 11.725 -3.952 5.066 684 HA LEU 12 HA LEU 12 13.326 -1.731 4.638 685 HB2 LEU 12 HB2 LEU 12 11.321 -2.282 3.325 686 HB3 LEU 12 HB1 LEU 12 10.315 -1.832 4.686 687 HG LEU 12 HG LEU 12 11.345 0.485 4.517 688 HD11 LEU 12 HD11 LEU 12 13.278 -0.101 3.166 689 HD12 LEU 12 HD12 LEU 12 12.281 1.103 2.350 690 HD13 LEU 12 HD13 LEU 12 12.220 -0.583 1.838 691 HD21 LEU 12 HD21 LEU 12 9.913 1.051 2.497 692 HD22 LEU 12 HD22 LEU 12 9.111 0.234 3.838 693 HD23 LEU 12 HD23 LEU 12 9.565 -0.674 2.396 694 HA PRO 13 HA PRO 13 10.882 0.502 8.321 695 HB2 PRO 13 HB2 PRO 13 10.491 -1.367 10.382 696 HB3 PRO 13 HB1 PRO 13 9.225 -0.677 9.351 697 HG2 PRO 13 HG2 PRO 13 10.612 -3.290 9.140 698 HG3 PRO 13 HG1 PRO 13 8.924 -2.866 8.786 699 HD2 PRO 13 HD2 PRO 13 10.684 -3.251 6.817 700 HD3 PRO 13 HD1 PRO 13 9.441 -1.986 6.707 701 H GLN 14 HN GLN 14 12.932 -2.333 8.886 702 HA GLN 14 HA GLN 14 14.393 -1.179 11.044 703 HB2 GLN 14 HB2 GLN 14 15.178 -3.453 9.213 704 HB3 GLN 14 HB1 GLN 14 15.915 -3.070 10.762 705 HG2 GLN 14 HG2 GLN 14 13.891 -3.649 11.924 706 HG3 GLN 14 HG1 GLN 14 13.039 -3.874 10.398 707 HE21 GLN 14 HE21 GLN 14 13.455 -5.754 12.576 708 HE22 GLN 14 HE22 GLN 14 14.276 -7.114 11.891 709 H LEU 15 HN LEU 15 14.865 -1.427 7.556 710 HA LEU 15 HA LEU 15 17.494 -0.432 7.430 711 HB2 LEU 15 HB2 LEU 15 16.311 -1.542 5.549 712 HB3 LEU 15 HB1 LEU 15 15.285 -0.129 5.388 713 HG LEU 15 HG LEU 15 17.385 1.204 4.923 714 HD11 LEU 15 HD11 LEU 15 19.339 -0.054 4.151 715 HD12 LEU 15 HD12 LEU 15 18.570 -1.557 4.664 716 HD13 LEU 15 HD13 LEU 15 19.010 -0.337 5.860 717 HD21 LEU 15 HD21 LEU 15 15.839 0.521 3.164 718 HD22 LEU 15 HD22 LEU 15 16.688 -1.014 3.008 719 HD23 LEU 15 HD23 LEU 15 17.508 0.491 2.597 720 H CYS 16 HN CYS 16 14.361 1.132 7.565 721 HA CYS 16 HA CYS 16 15.177 3.764 7.016 722 HB2 CYS 16 HB2 CYS 16 12.923 2.890 8.836 723 HB3 CYS 16 HB1 CYS 16 13.078 4.448 8.035 724 HG CYS 16 HG CYS 16 12.786 1.533 6.278 725 H THR 17 HN THR 17 15.047 1.892 10.006 726 HA THR 17 HA THR 17 15.694 4.001 11.769 727 HB THR 17 HB THR 17 16.434 1.121 12.249 728 HG1 THR 17 HG1 THR 17 13.939 2.231 11.835 729 HG21 THR 17 HG21 THR 17 15.807 1.694 14.568 730 HG22 THR 17 HG22 THR 17 15.482 3.349 14.053 731 HG23 THR 17 HG23 THR 17 17.120 2.703 13.964 732 H GLU 18 HN GLU 18 17.676 1.624 10.034 733 HA GLU 18 HA GLU 18 20.154 2.391 11.161 734 HB2 GLU 18 HB2 GLU 18 19.331 0.878 8.712 735 HB3 GLU 18 HB1 GLU 18 21.007 1.386 8.877 736 HG2 GLU 18 HG2 GLU 18 20.345 0.235 11.328 737 HG3 GLU 18 HG1 GLU 18 19.629 -0.816 10.107 738 H LEU 19 HN LEU 19 18.317 3.533 8.398 739 HA LEU 19 HA LEU 19 20.409 5.314 7.517 740 HB2 LEU 19 HB2 LEU 19 18.011 4.254 6.426 741 HB3 LEU 19 HB1 LEU 19 17.871 6.000 6.408 742 HG LEU 19 HG LEU 19 20.194 4.490 5.216 743 HD11 LEU 19 HD11 LEU 19 19.119 5.161 3.044 744 HD12 LEU 19 HD12 LEU 19 17.664 5.529 3.969 745 HD13 LEU 19 HD13 LEU 19 18.296 3.883 3.938 746 HD21 LEU 19 HD21 LEU 19 20.712 6.784 5.872 747 HD22 LEU 19 HD22 LEU 19 19.323 7.364 4.954 748 HD23 LEU 19 HD23 LEU 19 20.682 6.615 4.115 749 H GLN 20 HN GLN 20 18.333 5.375 10.043 750 HA GLN 20 HA GLN 20 17.637 6.932 11.524 751 HB2 GLN 20 HB2 GLN 20 19.478 8.826 10.063 752 HB3 GLN 20 HB1 GLN 20 18.869 9.009 11.702 753 HG2 GLN 20 HG2 GLN 20 20.106 7.021 12.388 754 HG3 GLN 20 HG1 GLN 20 20.712 6.827 10.743 755 HE21 GLN 20 HE21 GLN 20 22.858 7.046 11.333 756 HE22 GLN 20 HE22 GLN 20 23.538 8.554 11.836 757 H THR 21 HN THR 21 15.969 6.526 9.353 758 HA THR 21 HA THR 21 14.573 9.076 9.308 759 HB THR 21 HB THR 21 16.000 9.057 7.239 760 HG1 THR 21 HG1 THR 21 14.349 9.853 5.983 761 HG21 THR 21 HG21 THR 21 14.194 6.803 6.355 762 HG22 THR 21 HG22 THR 21 15.875 6.594 6.850 763 HG23 THR 21 HG23 THR 21 15.487 7.557 5.424 764 H THR 22 HN THR 22 12.454 8.511 7.732 765 HA THR 22 HA THR 22 11.406 6.006 8.885 766 HB THR 22 HB THR 22 9.166 7.481 8.327 767 HG1 THR 22 HG1 THR 22 10.615 9.369 9.740 768 HG21 THR 22 HG21 THR 22 9.537 6.195 10.354 769 HG22 THR 22 HG22 THR 22 9.036 7.833 10.767 770 HG23 THR 22 HG23 THR 22 10.730 7.368 10.908 771 H ILE 23 HN ILE 23 9.354 5.298 7.649 772 HA ILE 23 HA ILE 23 10.111 4.600 5.010 773 HB ILE 23 HB ILE 23 7.321 4.360 6.128 774 HG12 ILE 23 HG12 ILE 23 9.581 2.398 6.567 775 HG13 ILE 23 HG11 ILE 23 9.059 3.569 7.774 776 HG21 ILE 23 HG21 ILE 23 8.894 2.648 4.207 777 HG22 ILE 23 HG22 ILE 23 7.584 3.751 3.786 778 HG23 ILE 23 HG23 ILE 23 7.252 2.323 4.766 779 HD11 ILE 23 HD11 ILE 23 7.343 1.402 6.590 780 HD12 ILE 23 HD12 ILE 23 6.865 2.541 7.849 781 HD13 ILE 23 HD13 ILE 23 8.126 1.350 8.168 782 H HIS 24 HN HIS 24 8.815 7.431 6.189 783 HA HIS 24 HA HIS 24 7.233 8.028 3.806 784 HB2 HIS 24 HB2 HIS 24 7.691 9.883 6.139 785 HB3 HIS 24 HB1 HIS 24 6.370 9.903 4.978 786 HD1 HIS 24 HD1 HIS 24 4.525 7.978 5.287 787 HD2 HIS 24 HD2 HIS 24 7.281 8.389 8.376 788 HE1 HIS 24 HE1 HIS 24 3.579 6.711 7.262 789 H ASP 25 HN ASP 25 10.408 8.138 4.592 790 HA ASP 25 HA ASP 25 10.853 10.449 2.834 791 HB2 ASP 25 HB2 ASP 25 11.305 11.284 5.031 792 HB3 ASP 25 HB1 ASP 25 12.260 9.862 5.438 793 H ILE 26 HN ILE 26 12.020 7.370 4.056 794 HA ILE 26 HA ILE 26 14.445 7.256 2.695 795 HB ILE 26 HB ILE 26 13.877 5.660 4.440 796 HG12 ILE 26 HG12 ILE 26 14.317 4.191 1.836 797 HG13 ILE 26 HG11 ILE 26 15.570 5.099 2.674 798 HG21 ILE 26 HG21 ILE 26 11.491 5.384 3.847 799 HG22 ILE 26 HG22 ILE 26 12.324 3.854 4.125 800 HG23 ILE 26 HG23 ILE 26 11.980 4.385 2.479 801 HD11 ILE 26 HD11 ILE 26 14.107 2.681 3.705 802 HD12 ILE 26 HD12 ILE 26 15.283 3.619 4.624 803 HD13 ILE 26 HD13 ILE 26 15.786 2.758 3.169 804 H ILE 27 HN ILE 27 14.890 7.306 0.633 805 HA ILE 27 HA ILE 27 12.857 6.460 -1.306 806 HB ILE 27 HB ILE 27 15.311 8.173 -1.742 807 HG12 ILE 27 HG12 ILE 27 13.568 9.290 -0.382 808 HG13 ILE 27 HG11 ILE 27 13.778 10.051 -1.955 809 HG21 ILE 27 HG21 ILE 27 14.376 8.628 -3.951 810 HG22 ILE 27 HG22 ILE 27 13.041 7.525 -3.621 811 HG23 ILE 27 HG23 ILE 27 14.689 6.906 -3.735 812 HD11 ILE 27 HD11 ILE 27 11.779 8.867 -2.766 813 HD12 ILE 27 HD12 ILE 27 11.440 9.926 -1.397 814 HD13 ILE 27 HD13 ILE 27 11.558 8.183 -1.154 815 H LEU 28 HN LEU 28 13.138 4.434 -1.947 816 HA LEU 28 HA LEU 28 15.880 3.441 -2.292 817 HB2 LEU 28 HB2 LEU 28 13.614 2.304 -1.008 818 HB3 LEU 28 HB1 LEU 28 13.951 1.338 -2.432 819 HG LEU 28 HG LEU 28 16.267 1.007 -1.659 820 HD11 LEU 28 HD11 LEU 28 16.910 1.668 0.597 821 HD12 LEU 28 HD12 LEU 28 15.368 2.497 0.802 822 HD13 LEU 28 HD13 LEU 28 16.529 3.078 -0.391 823 HD21 LEU 28 HD21 LEU 28 14.082 0.267 0.278 824 HD22 LEU 28 HD22 LEU 28 15.718 -0.392 0.337 825 HD23 LEU 28 HD23 LEU 28 14.698 -0.688 -1.071 826 H GLU 29 HN GLU 29 16.410 2.337 -4.209 827 HA GLU 29 HA GLU 29 14.646 3.036 -6.445 828 HB2 GLU 29 HB2 GLU 29 17.526 2.192 -6.675 829 HB3 GLU 29 HB1 GLU 29 16.554 3.070 -7.846 830 HG2 GLU 29 HG2 GLU 29 16.439 4.918 -6.075 831 HG3 GLU 29 HG1 GLU 29 17.763 4.062 -5.293 832 H CYS 30 HN CYS 30 14.443 1.509 -8.212 833 HA CYS 30 HA CYS 30 13.974 -1.151 -7.252 834 HB2 CYS 30 HB2 CYS 30 12.415 -0.206 -8.839 835 HB3 CYS 30 HB1 CYS 30 13.706 0.082 -10.001 836 H VAL 31 HN VAL 31 15.031 -3.014 -7.795 837 HA VAL 31 HA VAL 31 17.806 -2.735 -8.453 838 HB VAL 31 HB VAL 31 17.043 -4.378 -6.793 839 HG11 VAL 31 HG11 VAL 31 15.968 -6.468 -7.525 840 HG12 VAL 31 HG12 VAL 31 15.770 -5.780 -9.135 841 HG13 VAL 31 HG13 VAL 31 14.942 -5.053 -7.758 842 HG21 VAL 31 HG21 VAL 31 18.372 -5.644 -9.185 843 HG22 VAL 31 HG22 VAL 31 18.401 -6.263 -7.533 844 HG23 VAL 31 HG23 VAL 31 19.177 -4.726 -7.912 845 H TYR 32 HN TYR 32 14.921 -3.487 -10.227 846 HA TYR 32 HA TYR 32 16.500 -4.518 -12.472 847 HB2 TYR 32 HB2 TYR 32 13.497 -4.405 -12.136 848 HB3 TYR 32 HB1 TYR 32 14.358 -5.171 -13.467 849 HD1 TYR 32 HD2 TYR 32 16.274 -6.878 -12.526 850 HD2 TYR 32 HD1 TYR 32 12.652 -5.838 -10.563 851 HE1 TYR 32 HE2 TYR 32 16.372 -8.980 -11.251 852 HE2 TYR 32 HE1 TYR 32 12.731 -7.935 -9.279 853 HH TYR 32 HH TYR 32 15.483 -9.880 -9.093 854 H CYS 33 HN CYS 33 13.732 -2.292 -12.119 855 HA CYS 33 HA CYS 33 14.223 -1.024 -14.613 856 HB2 CYS 33 HB2 CYS 33 12.648 0.373 -12.517 857 HB3 CYS 33 HB1 CYS 33 12.274 0.110 -14.217 858 H LYS 34 HN LYS 34 15.438 -0.533 -11.433 859 HA LYS 34 HA LYS 34 16.965 0.896 -10.552 860 HB2 LYS 34 HB2 LYS 34 17.412 1.863 -13.383 861 HB3 LYS 34 HB1 LYS 34 18.484 2.114 -12.016 862 HG2 LYS 34 HG2 LYS 34 17.795 -0.596 -13.131 863 HG3 LYS 34 HG1 LYS 34 19.209 0.342 -13.611 864 HD2 LYS 34 HD2 LYS 34 19.865 0.388 -11.177 865 HD3 LYS 34 HD1 LYS 34 18.579 -0.786 -10.890 866 HE2 LYS 34 HE2 LYS 34 20.962 -1.133 -12.703 867 HE3 LYS 34 HE1 LYS 34 20.702 -1.921 -11.150 868 HZ1 LYS 34 HZ1 LYS 34 20.175 -3.330 -13.089 869 HZ2 LYS 34 HZ2 LYS 34 18.927 -2.267 -13.502 870 HZ3 LYS 34 HZ3 LYS 34 18.864 -3.124 -12.041 871 H GLN 35 HN GLN 35 14.139 1.659 -11.057 872 HA GLN 35 HA GLN 35 14.309 4.565 -11.294 873 HB2 GLN 35 HB2 GLN 35 11.843 4.486 -11.277 874 HB3 GLN 35 HB1 GLN 35 12.517 3.449 -12.527 875 HG2 GLN 35 HG2 GLN 35 11.520 1.666 -11.685 876 HG3 GLN 35 HG1 GLN 35 12.169 1.984 -10.079 877 HE21 GLN 35 HE21 GLN 35 10.909 3.070 -8.587 878 HE22 GLN 35 HE22 GLN 35 9.209 3.328 -8.806 879 H GLN 36 HN GLN 36 13.546 5.963 -9.641 880 HA GLN 36 HA GLN 36 13.974 4.926 -6.977 881 HB2 GLN 36 HB2 GLN 36 13.256 7.714 -7.914 882 HB3 GLN 36 HB1 GLN 36 13.670 7.279 -6.261 883 HG2 GLN 36 HG2 GLN 36 15.867 6.415 -7.234 884 HG3 GLN 36 HG1 GLN 36 15.431 7.312 -8.685 885 HE21 GLN 36 HE21 GLN 36 17.645 7.643 -6.767 886 HE22 GLN 36 HE22 GLN 36 17.534 9.292 -6.234 887 H LEU 37 HN LEU 37 12.418 3.944 -5.933 888 HA LEU 37 HA LEU 37 9.767 3.764 -6.748 889 HB2 LEU 37 HB2 LEU 37 11.300 3.016 -4.341 890 HB3 LEU 37 HB1 LEU 37 9.567 3.165 -4.123 891 HG LEU 37 HG LEU 37 9.305 1.574 -6.082 892 HD11 LEU 37 HD11 LEU 37 11.207 0.138 -6.598 893 HD12 LEU 37 HD12 LEU 37 12.236 1.121 -5.557 894 HD13 LEU 37 HD13 LEU 37 11.540 1.818 -7.018 895 HD21 LEU 37 HD21 LEU 37 8.962 0.886 -3.769 896 HD22 LEU 37 HD22 LEU 37 10.687 0.561 -3.600 897 HD23 LEU 37 HD23 LEU 37 9.712 -0.403 -4.709 898 H LEU 38 HN LEU 38 8.007 4.898 -6.457 899 HA LEU 38 HA LEU 38 8.129 7.504 -5.266 900 HB2 LEU 38 HB2 LEU 38 5.658 6.004 -6.134 901 HB3 LEU 38 HB1 LEU 38 5.842 7.739 -5.964 902 HG LEU 38 HG LEU 38 7.272 6.058 -8.027 903 HD11 LEU 38 HD11 LEU 38 4.857 7.839 -8.293 904 HD12 LEU 38 HD12 LEU 38 4.901 6.085 -8.479 905 HD13 LEU 38 HD13 LEU 38 5.746 7.116 -9.634 906 HD21 LEU 38 HD21 LEU 38 7.804 8.233 -9.044 907 HD22 LEU 38 HD22 LEU 38 8.525 8.040 -7.448 908 HD23 LEU 38 HD23 LEU 38 7.090 9.042 -7.651 909 H ARG 39 HN ARG 39 6.309 8.173 -3.700 910 HA ARG 39 HA ARG 39 6.711 6.982 -1.242 911 HB2 ARG 39 HB2 ARG 39 5.755 9.250 -1.611 912 HB3 ARG 39 HB1 ARG 39 4.231 8.499 -2.064 913 HG2 ARG 39 HG2 ARG 39 3.911 7.637 0.128 914 HG3 ARG 39 HG1 ARG 39 5.548 8.087 0.609 915 HD2 ARG 39 HD2 ARG 39 4.105 9.715 1.544 916 HD3 ARG 39 HD1 ARG 39 4.894 10.482 0.168 917 HE ARG 39 HE ARG 39 2.673 9.709 -1.002 918 HH11 ARG 39 HH11 ARG 39 3.065 11.047 2.200 919 HH12 ARG 39 HH12 ARG 39 1.498 11.780 2.230 920 HH21 ARG 39 HH21 ARG 39 0.603 10.696 -0.979 921 HH22 ARG 39 HH22 ARG 39 0.105 11.603 0.418 922 H ARG 40 HN ARG 40 4.020 6.430 -3.502 923 HA ARG 40 HA ARG 40 2.583 4.645 -1.870 924 HB2 ARG 40 HB2 ARG 40 2.610 5.335 -4.748 925 HB3 ARG 40 HB1 ARG 40 1.935 3.766 -4.341 926 HG2 ARG 40 HG2 ARG 40 1.011 6.459 -3.377 927 HG3 ARG 40 HG1 ARG 40 0.156 5.345 -4.442 928 HD2 ARG 40 HD2 ARG 40 0.560 5.230 -1.490 929 HD3 ARG 40 HD1 ARG 40 -0.899 4.954 -2.433 930 HE ARG 40 HE ARG 40 0.614 2.858 -3.147 931 HH11 ARG 40 HH11 ARG 40 -0.181 4.221 -0.019 932 HH12 ARG 40 HH12 ARG 40 -0.016 2.703 0.818 933 HH21 ARG 40 HH21 ARG 40 0.866 0.851 -2.035 934 HH22 ARG 40 HH22 ARG 40 0.558 0.801 -0.323 935 H GLU 41 HN GLU 41 5.157 4.103 -4.228 936 HA GLU 41 HA GLU 41 5.024 1.281 -4.222 937 HB2 GLU 41 HB2 GLU 41 7.409 3.038 -4.830 938 HB3 GLU 41 HB1 GLU 41 7.205 1.357 -5.307 939 HG2 GLU 41 HG2 GLU 41 5.199 2.057 -6.622 940 HG3 GLU 41 HG1 GLU 41 5.623 3.729 -6.261 941 H VAL 42 HN VAL 42 6.904 3.595 -2.305 942 HA VAL 42 HA VAL 42 8.432 1.652 -0.910 943 HB VAL 42 HB VAL 42 7.666 4.433 0.018 944 HG11 VAL 42 HG11 VAL 42 9.636 4.299 1.435 945 HG12 VAL 42 HG12 VAL 42 9.964 2.667 0.855 946 HG13 VAL 42 HG13 VAL 42 8.517 2.987 1.811 947 HG21 VAL 42 HG21 VAL 42 10.094 3.514 -1.520 948 HG22 VAL 42 HG22 VAL 42 9.815 5.143 -0.901 949 HG23 VAL 42 HG23 VAL 42 8.768 4.484 -2.159 950 H TYR 43 HN TYR 43 5.351 3.247 -0.276 951 HA TYR 43 HA TYR 43 4.878 2.196 2.299 952 HB2 TYR 43 HB2 TYR 43 3.085 3.249 0.127 953 HB3 TYR 43 HB1 TYR 43 2.408 2.569 1.596 954 HD1 TYR 43 HD1 TYR 43 5.374 4.051 2.625 955 HD2 TYR 43 HD2 TYR 43 1.483 5.081 1.246 956 HE1 TYR 43 HE1 TYR 43 5.563 6.240 3.735 957 HE2 TYR 43 HE2 TYR 43 1.666 7.268 2.345 958 HH TYR 43 HH TYR 43 2.836 8.478 3.856 959 H ASP 44 HN ASP 44 4.266 0.969 -0.923 960 HA ASP 44 HA ASP 44 2.623 -1.212 -0.211 961 HB2 ASP 44 HB2 ASP 44 3.848 -0.176 -2.594 962 HB3 ASP 44 HB1 ASP 44 4.087 -1.920 -2.522 963 H PHE 45 HN PHE 45 6.103 -0.853 -0.576 964 HA PHE 45 HA PHE 45 6.853 -3.538 -0.382 965 HB2 PHE 45 HB2 PHE 45 8.272 -1.481 -0.976 966 HB3 PHE 45 HB1 PHE 45 8.468 -1.260 0.756 967 HD1 PHE 45 HD2 PHE 45 9.702 -2.924 2.085 968 HD2 PHE 45 HD1 PHE 45 9.433 -3.194 -2.155 969 HE1 PHE 45 HE2 PHE 45 11.596 -4.494 2.066 970 HE2 PHE 45 HE1 PHE 45 11.325 -4.765 -2.177 971 HZ PHE 45 HZ PHE 45 12.405 -5.415 -0.066 972 H ALA 46 HN ALA 46 6.250 -1.134 2.146 973 HA ALA 46 HA ALA 46 6.984 -2.944 4.272 974 HB1 ALA 46 HB1 ALA 46 6.358 -1.141 5.767 975 HB2 ALA 46 HB2 ALA 46 5.622 -0.259 4.432 976 HB3 ALA 46 HB3 ALA 46 7.363 -0.521 4.458 977 H PHE 47 HN PHE 47 4.142 -2.207 2.504 978 HA PHE 47 HA PHE 47 2.262 -3.020 4.515 979 HB2 PHE 47 HB2 PHE 47 1.794 -1.428 2.595 980 HB3 PHE 47 HB1 PHE 47 1.785 -2.836 1.539 981 HD1 PHE 47 HD1 PHE 47 0.218 -1.618 4.691 982 HD2 PHE 47 HD2 PHE 47 -0.226 -3.858 1.101 983 HE1 PHE 47 HE1 PHE 47 -2.162 -1.978 5.216 984 HE2 PHE 47 HE2 PHE 47 -2.603 -4.224 1.615 985 HZ PHE 47 HZ PHE 47 -3.576 -3.285 3.674 986 H ARG 48 HN ARG 48 4.133 -4.578 2.062 987 HA ARG 48 HA ARG 48 2.631 -7.079 2.456 988 HB2 ARG 48 HB2 ARG 48 4.677 -6.543 0.306 989 HB3 ARG 48 HB1 ARG 48 3.504 -7.850 0.374 990 HG2 ARG 48 HG2 ARG 48 1.695 -6.264 0.027 991 HG3 ARG 48 HG1 ARG 48 2.851 -4.932 0.011 992 HD2 ARG 48 HD2 ARG 48 3.983 -6.169 -1.914 993 HD3 ARG 48 HD1 ARG 48 2.524 -7.154 -1.986 994 HE ARG 48 HE ARG 48 2.152 -4.264 -2.110 995 HH11 ARG 48 HH11 ARG 48 2.337 -7.308 -3.828 996 HH12 ARG 48 HH12 ARG 48 1.613 -6.681 -5.273 997 HH21 ARG 48 HH21 ARG 48 1.188 -3.433 -3.976 998 HH22 ARG 48 HH22 ARG 48 0.967 -4.456 -5.370 999 H ASP 49 HN ASP 49 4.139 -9.065 2.198 1000 HA ASP 49 HA ASP 49 6.292 -8.722 4.129 1001 HB2 ASP 49 HB2 ASP 49 6.286 -11.209 4.238 1002 HB3 ASP 49 HB1 ASP 49 4.728 -10.500 4.638 1003 H LEU 50 HN LEU 50 7.843 -7.751 2.854 1004 HA LEU 50 HA LEU 50 9.077 -9.520 0.860 1005 HB2 LEU 50 HB2 LEU 50 8.192 -6.726 0.585 1006 HB3 LEU 50 HB1 LEU 50 9.813 -7.042 -0.004 1007 HG LEU 50 HG LEU 50 8.566 -9.053 -1.232 1008 HD11 LEU 50 HD11 LEU 50 6.358 -8.397 -1.986 1009 HD12 LEU 50 HD12 LEU 50 6.431 -6.936 -1.002 1010 HD13 LEU 50 HD13 LEU 50 6.386 -8.518 -0.224 1011 HD21 LEU 50 HD21 LEU 50 8.510 -6.196 -2.197 1012 HD22 LEU 50 HD22 LEU 50 8.432 -7.641 -3.204 1013 HD23 LEU 50 HD23 LEU 50 9.895 -7.282 -2.288 1014 H CYS 51 HN CYS 51 11.354 -9.047 0.473 1015 HA CYS 51 HA CYS 51 12.692 -7.984 2.869 1016 HB2 CYS 51 HB2 CYS 51 14.567 -9.627 1.943 1017 HB3 CYS 51 HB1 CYS 51 13.291 -10.201 3.014 1018 HG CYS 51 HG CYS 51 13.577 -10.676 -0.359 1019 H ILE 52 HN ILE 52 14.758 -6.959 2.470 1020 HA ILE 52 HA ILE 52 14.708 -5.405 0.051 1021 HB ILE 52 HB ILE 52 16.858 -5.407 2.164 1022 HG12 ILE 52 HG12 ILE 52 14.508 -3.524 2.123 1023 HG13 ILE 52 HG11 ILE 52 14.437 -5.050 2.999 1024 HG21 ILE 52 HG21 ILE 52 17.442 -4.259 0.106 1025 HG22 ILE 52 HG22 ILE 52 17.216 -3.098 1.414 1026 HG23 ILE 52 HG23 ILE 52 15.959 -3.307 0.194 1027 HD11 ILE 52 HD11 ILE 52 15.046 -3.065 4.375 1028 HD12 ILE 52 HD12 ILE 52 16.552 -2.967 3.462 1029 HD13 ILE 52 HD13 ILE 52 16.204 -4.391 4.441 1030 H VAL 53 HN VAL 53 15.842 -5.723 -1.739 1031 HA VAL 53 HA VAL 53 17.699 -7.972 -1.809 1032 HB VAL 53 HB VAL 53 17.610 -7.548 -4.339 1033 HG11 VAL 53 HG11 VAL 53 15.041 -8.361 -2.981 1034 HG12 VAL 53 HG12 VAL 53 16.464 -9.393 -3.135 1035 HG13 VAL 53 HG13 VAL 53 15.602 -8.857 -4.578 1036 HG21 VAL 53 HG21 VAL 53 15.623 -6.399 -5.175 1037 HG22 VAL 53 HG22 VAL 53 16.645 -5.292 -4.261 1038 HG23 VAL 53 HG23 VAL 53 15.178 -5.946 -3.532 1039 H TYR 54 HN TYR 54 19.754 -7.548 -1.508 1040 HA TYR 54 HA TYR 54 20.774 -4.865 -2.049 1041 HB2 TYR 54 HB2 TYR 54 21.885 -7.230 -0.541 1042 HB3 TYR 54 HB1 TYR 54 22.833 -5.787 -0.879 1043 HD1 TYR 54 HD1 TYR 54 19.836 -7.043 0.894 1044 HD2 TYR 54 HD2 TYR 54 22.578 -3.826 0.433 1045 HE1 TYR 54 HE1 TYR 54 18.920 -5.982 2.915 1046 HE2 TYR 54 HE2 TYR 54 21.670 -2.753 2.453 1047 HH TYR 54 HH TYR 54 19.273 -4.375 4.472 1048 H ARG 55 HN ARG 55 21.465 -4.544 -4.040 1049 HA ARG 55 HA ARG 55 22.730 -6.719 -5.531 1050 HB2 ARG 55 HB2 ARG 55 20.949 -4.934 -6.392 1051 HB3 ARG 55 HB1 ARG 55 22.391 -3.964 -6.655 1052 HG2 ARG 55 HG2 ARG 55 22.111 -6.742 -7.760 1053 HG3 ARG 55 HG1 ARG 55 21.512 -5.319 -8.612 1054 HD2 ARG 55 HD2 ARG 55 24.360 -5.810 -7.753 1055 HD3 ARG 55 HD1 ARG 55 23.734 -5.949 -9.395 1056 HE ARG 55 HE ARG 55 23.136 -3.390 -8.647 1057 HH11 ARG 55 HH11 ARG 55 26.063 -5.296 -8.790 1058 HH12 ARG 55 HH12 ARG 55 27.088 -3.934 -9.108 1059 HH21 ARG 55 HH21 ARG 55 24.512 -1.577 -9.069 1060 HH22 ARG 55 HH22 ARG 55 26.216 -1.839 -9.259 1061 H ASP 56 HN ASP 56 24.781 -6.981 -4.953 1062 HA ASP 56 HA ASP 56 27.005 -6.616 -4.716 1063 HB2 ASP 56 HB2 ASP 56 27.073 -5.336 -6.729 1064 HB3 ASP 56 HB1 ASP 56 26.318 -3.949 -5.953 1065 H GLY 57 HN GLY 57 25.743 -3.373 -3.996 1066 HA2 GLY 57 HA2 GLY 57 26.080 -3.786 -1.143 1067 HA3 GLY 57 HA1 GLY 57 27.215 -2.652 -1.867 1068 H ASN 58 HN ASN 58 24.177 -2.861 -3.368 1069 HA ASN 58 HA ASN 58 23.353 -0.345 -2.085 1070 HB2 ASN 58 HB2 ASN 58 23.972 -0.768 -4.743 1071 HB3 ASN 58 HB1 ASN 58 22.215 -0.877 -4.725 1072 HD21 ASN 58 HD21 ASN 58 24.015 1.134 -5.860 1073 HD22 ASN 58 HD22 ASN 58 23.523 2.640 -5.165 1074 HA PRO 59 HA PRO 59 19.798 -2.818 -0.938 1075 HB2 PRO 59 HB2 PRO 59 18.544 -0.885 0.509 1076 HB3 PRO 59 HB1 PRO 59 19.944 -1.777 1.131 1077 HG2 PRO 59 HG2 PRO 59 19.812 0.959 -0.012 1078 HG3 PRO 59 HG1 PRO 59 20.775 0.342 1.344 1079 HD2 PRO 59 HD2 PRO 59 21.778 0.753 -1.168 1080 HD3 PRO 59 HD1 PRO 59 22.445 -0.412 -0.012 1081 H TYR 60 HN TYR 60 18.694 -3.104 -2.841 1082 HA TYR 60 HA TYR 60 17.190 -0.829 -3.915 1083 HB2 TYR 60 HB2 TYR 60 18.049 -3.472 -5.068 1084 HB3 TYR 60 HB1 TYR 60 16.777 -2.518 -5.821 1085 HD1 TYR 60 HD1 TYR 60 17.390 -0.051 -6.397 1086 HD2 TYR 60 HD2 TYR 60 20.265 -3.093 -5.654 1087 HE1 TYR 60 HE1 TYR 60 19.072 1.245 -7.628 1088 HE2 TYR 60 HE2 TYR 60 21.956 -1.799 -6.884 1089 HH TYR 60 HH TYR 60 21.212 1.419 -8.180 1090 H ALA 61 HN ALA 61 14.994 -1.342 -4.751 1091 HA ALA 61 HA ALA 61 13.603 -3.228 -2.965 1092 HB1 ALA 61 HB1 ALA 61 11.686 -1.664 -3.000 1093 HB2 ALA 61 HB2 ALA 61 12.673 -0.518 -3.910 1094 HB3 ALA 61 HB3 ALA 61 13.129 -0.964 -2.267 1095 H VAL 62 HN VAL 62 11.282 -3.599 -3.872 1096 HA VAL 62 HA VAL 62 11.515 -4.160 -6.755 1097 HB VAL 62 HB VAL 62 9.919 -5.789 -4.769 1098 HG11 VAL 62 HG11 VAL 62 9.737 -7.411 -6.531 1099 HG12 VAL 62 HG12 VAL 62 10.801 -6.462 -7.570 1100 HG13 VAL 62 HG13 VAL 62 9.204 -5.844 -7.146 1101 HG21 VAL 62 HG21 VAL 62 11.705 -7.500 -5.009 1102 HG22 VAL 62 HG22 VAL 62 12.228 -6.042 -4.167 1103 HG23 VAL 62 HG23 VAL 62 12.687 -6.298 -5.850 1104 H CYS 63 HN CYS 63 10.164 -2.925 -7.877 1105 HA CYS 63 HA CYS 63 7.927 -1.626 -6.634 1106 HB2 CYS 63 HB2 CYS 63 7.604 -0.888 -9.137 1107 HB3 CYS 63 HB1 CYS 63 8.924 -0.231 -8.177 1108 H ASP 64 HN ASP 64 5.823 -1.555 -7.992 1109 HA ASP 64 HA ASP 64 4.529 -4.017 -7.766 1110 HB2 ASP 64 HB2 ASP 64 3.430 -1.768 -7.739 1111 HB3 ASP 64 HB1 ASP 64 3.666 -1.676 -9.480 1112 H LYS 65 HN LYS 65 6.032 -2.467 -10.536 1113 HA LYS 65 HA LYS 65 5.017 -4.114 -12.560 1114 HB2 LYS 65 HB2 LYS 65 7.732 -2.799 -12.484 1115 HB3 LYS 65 HB1 LYS 65 6.873 -3.340 -13.919 1116 HG2 LYS 65 HG2 LYS 65 6.023 -1.301 -14.094 1117 HG3 LYS 65 HG1 LYS 65 5.115 -1.600 -12.611 1118 HD2 LYS 65 HD2 LYS 65 6.350 0.421 -12.313 1119 HD3 LYS 65 HD1 LYS 65 7.113 -0.828 -11.326 1120 HE2 LYS 65 HE2 LYS 65 8.554 -1.151 -13.536 1121 HE3 LYS 65 HE1 LYS 65 8.093 0.536 -13.781 1122 HZ1 LYS 65 HZ1 LYS 65 9.264 -0.404 -11.232 1123 HZ2 LYS 65 HZ2 LYS 65 9.164 1.181 -11.830 1124 HZ3 LYS 65 HZ3 LYS 65 10.235 0.071 -12.536 1125 H CYS 66 HN CYS 66 8.053 -4.384 -10.711 1126 HA CYS 66 HA CYS 66 8.790 -6.840 -11.945 1127 HB2 CYS 66 HB2 CYS 66 9.790 -5.828 -9.290 1128 HB3 CYS 66 HB1 CYS 66 10.641 -6.827 -10.465 1129 H LEU 67 HN LEU 67 6.951 -5.952 -9.110 1130 HA LEU 67 HA LEU 67 6.947 -8.449 -7.805 1131 HB2 LEU 67 HB2 LEU 67 5.298 -5.987 -7.674 1132 HB3 LEU 67 HB1 LEU 67 4.608 -7.445 -6.993 1133 HG LEU 67 HG LEU 67 7.275 -6.293 -6.173 1134 HD11 LEU 67 HD11 LEU 67 6.097 -5.603 -4.125 1135 HD12 LEU 67 HD12 LEU 67 4.571 -6.116 -4.843 1136 HD13 LEU 67 HD13 LEU 67 5.475 -4.781 -5.556 1137 HD21 LEU 67 HD21 LEU 67 6.697 -7.838 -4.160 1138 HD22 LEU 67 HD22 LEU 67 7.381 -8.541 -5.623 1139 HD23 LEU 67 HD23 LEU 67 5.648 -8.657 -5.317 1140 H LYS 68 HN LYS 68 4.762 -7.101 -10.259 1141 HA LYS 68 HA LYS 68 2.882 -9.218 -10.120 1142 HB2 LYS 68 HB2 LYS 68 1.867 -8.293 -12.040 1143 HB3 LYS 68 HB1 LYS 68 2.501 -6.927 -11.132 1144 HG2 LYS 68 HG2 LYS 68 4.585 -7.398 -12.763 1145 HG3 LYS 68 HG1 LYS 68 3.263 -7.973 -13.782 1146 HD2 LYS 68 HD2 LYS 68 3.319 -5.267 -12.445 1147 HD3 LYS 68 HD1 LYS 68 3.842 -5.564 -14.105 1148 HE2 LYS 68 HE2 LYS 68 1.543 -6.526 -14.512 1149 HE3 LYS 68 HE1 LYS 68 1.093 -5.882 -12.933 1150 HZ1 LYS 68 HZ1 LYS 68 2.141 -4.276 -15.204 1151 HZ2 LYS 68 HZ2 LYS 68 1.658 -3.675 -13.701 1152 HZ3 LYS 68 HZ3 LYS 68 0.517 -4.365 -14.736 1153 H PHE 69 HN PHE 69 5.953 -8.894 -11.667 1154 HA PHE 69 HA PHE 69 5.537 -10.998 -13.566 1155 HB2 PHE 69 HB2 PHE 69 8.032 -9.585 -12.618 1156 HB3 PHE 69 HB1 PHE 69 8.064 -10.881 -13.807 1157 HD1 PHE 69 HD2 PHE 69 5.570 -10.195 -15.312 1158 HD2 PHE 69 HD1 PHE 69 8.762 -7.761 -13.905 1159 HE1 PHE 69 HE2 PHE 69 5.093 -8.558 -17.078 1160 HE2 PHE 69 HE1 PHE 69 8.290 -6.114 -15.676 1161 HZ PHE 69 HZ PHE 69 6.451 -6.515 -17.263 1162 H TYR 70 HN TYR 70 6.529 -10.795 -10.276 1163 HA TYR 70 HA TYR 70 7.840 -13.330 -10.181 1164 HB2 TYR 70 HB2 TYR 70 7.108 -11.223 -8.236 1165 HB3 TYR 70 HB1 TYR 70 7.242 -12.857 -7.600 1166 HD1 TYR 70 HD2 TYR 70 9.181 -10.648 -9.929 1167 HD2 TYR 70 HD1 TYR 70 9.278 -13.418 -6.699 1168 HE1 TYR 70 HE2 TYR 70 11.631 -10.421 -9.810 1169 HE2 TYR 70 HE1 TYR 70 11.720 -13.195 -6.578 1170 HH TYR 70 HH TYR 70 13.468 -10.849 -8.540 Start of MODEL 10 1 H MET 1 HT1 MET 1 -24.307 -2.638 -3.607 2 HA MET 1 HA MET 1 -25.943 -2.531 -1.937 3 HB2 MET 1 HB2 MET 1 -27.772 -4.187 -1.822 4 HB3 MET 1 HB1 MET 1 -27.876 -3.195 -3.266 5 HG2 MET 1 HG2 MET 1 -26.809 -5.042 -4.533 6 HG3 MET 1 HG1 MET 1 -26.899 -6.034 -3.080 7 HE1 MET 1 HE1 MET 1 -29.113 -6.932 -2.023 8 HE2 MET 1 HE2 MET 1 -30.725 -6.467 -2.558 9 HE3 MET 1 HE3 MET 1 -29.670 -5.274 -1.804 10 H PHE 2 HN PHE 2 -25.683 -3.639 0.001 11 HA PHE 2 HA PHE 2 -24.263 -6.185 -0.065 12 HB2 PHE 2 HB2 PHE 2 -22.825 -3.854 0.210 13 HB3 PHE 2 HB1 PHE 2 -23.117 -4.309 1.886 14 HD1 PHE 2 HD1 PHE 2 -22.257 -6.148 -1.261 15 HD2 PHE 2 HD2 PHE 2 -21.347 -5.408 2.833 16 HE1 PHE 2 HE1 PHE 2 -20.406 -7.765 -1.381 17 HE2 PHE 2 HE2 PHE 2 -19.497 -7.023 2.717 18 HZ PHE 2 HZ PHE 2 -19.024 -8.202 0.610 19 H GLN 3 HN GLN 3 -25.756 -7.333 0.967 20 HA GLN 3 HA GLN 3 -26.552 -6.463 3.656 21 HB2 GLN 3 HB2 GLN 3 -28.740 -7.868 2.835 22 HB3 GLN 3 HB1 GLN 3 -28.613 -6.119 2.786 23 HG2 GLN 3 HG2 GLN 3 -29.458 -6.862 0.693 24 HG3 GLN 3 HG1 GLN 3 -27.802 -6.314 0.442 25 HE21 GLN 3 HE21 GLN 3 -29.936 -9.043 0.537 26 HE22 GLN 3 HE22 GLN 3 -28.850 -10.178 -0.187 27 H ASP 4 HN ASP 4 -28.227 -8.905 3.907 28 HA ASP 4 HA ASP 4 -26.375 -10.648 5.044 29 HB2 ASP 4 HB2 ASP 4 -29.169 -10.480 4.826 30 HB3 ASP 4 HB1 ASP 4 -28.745 -12.050 4.157 31 HA PRO 5 HA PRO 5 -26.177 -12.787 5.479 32 HB2 PRO 5 HB2 PRO 5 -24.271 -14.662 5.371 33 HB3 PRO 5 HB1 PRO 5 -25.915 -14.994 4.790 34 HG2 PRO 5 HG2 PRO 5 -23.455 -14.401 3.236 35 HG3 PRO 5 HG1 PRO 5 -24.768 -15.538 2.885 36 HD2 PRO 5 HD2 PRO 5 -24.505 -13.004 1.781 37 HD3 PRO 5 HD1 PRO 5 -26.000 -13.959 1.825 38 H GLN 6 HN GLN 6 -24.142 -11.067 3.551 39 HA GLN 6 HA GLN 6 -21.736 -11.036 5.046 40 HB2 GLN 6 HB2 GLN 6 -22.948 -8.999 3.167 41 HB3 GLN 6 HB1 GLN 6 -21.355 -8.825 3.887 42 HG2 GLN 6 HG2 GLN 6 -20.904 -9.693 1.793 43 HG3 GLN 6 HG1 GLN 6 -20.844 -11.106 2.841 44 HE21 GLN 6 HE21 GLN 6 -23.832 -9.573 1.856 45 HE22 GLN 6 HE22 GLN 6 -24.373 -10.859 0.837 46 H GLU 7 HN GLU 7 -21.099 -9.775 6.758 47 HA GLU 7 HA GLU 7 -23.284 -8.505 8.209 48 HB2 GLU 7 HB2 GLU 7 -21.677 -10.084 9.331 49 HB3 GLU 7 HB1 GLU 7 -20.430 -8.862 9.127 50 HG2 GLU 7 HG2 GLU 7 -21.489 -8.896 11.380 51 HG3 GLU 7 HG1 GLU 7 -21.571 -7.340 10.554 52 H ARG 8 HN ARG 8 -20.689 -7.644 6.190 53 HA ARG 8 HA ARG 8 -19.959 -5.642 5.398 54 HB2 ARG 8 HB2 ARG 8 -22.182 -4.353 6.992 55 HB3 ARG 8 HB1 ARG 8 -21.300 -3.646 5.648 56 HG2 ARG 8 HG2 ARG 8 -22.598 -4.630 4.124 57 HG3 ARG 8 HG1 ARG 8 -22.628 -6.166 4.995 58 HD2 ARG 8 HD2 ARG 8 -24.254 -3.716 5.666 59 HD3 ARG 8 HD1 ARG 8 -24.856 -5.161 4.855 60 HE ARG 8 HE ARG 8 -23.673 -5.876 7.313 61 HH11 ARG 8 HH11 ARG 8 -26.484 -4.212 6.071 62 HH12 ARG 8 HH12 ARG 8 -27.498 -4.670 7.403 63 HH21 ARG 8 HH21 ARG 8 -25.000 -6.497 9.068 64 HH22 ARG 8 HH22 ARG 8 -26.658 -5.966 9.104 65 HA PRO 9 HA PRO 9 -17.656 -4.961 9.315 66 HB2 PRO 9 HB2 PRO 9 -15.333 -5.020 7.530 67 HB3 PRO 9 HB1 PRO 9 -15.703 -6.057 8.919 68 HG2 PRO 9 HG2 PRO 9 -15.737 -6.984 6.408 69 HG3 PRO 9 HG1 PRO 9 -16.829 -7.592 7.669 70 HD2 PRO 9 HD2 PRO 9 -17.382 -5.638 5.475 71 HD3 PRO 9 HD1 PRO 9 -18.383 -6.980 6.074 72 H ARG 10 HN ARG 10 -16.223 -3.188 9.913 73 HA ARG 10 HA ARG 10 -16.784 -0.828 8.284 74 HB2 ARG 10 HB2 ARG 10 -16.289 -1.325 11.141 75 HB3 ARG 10 HB1 ARG 10 -15.548 0.141 10.509 76 HG2 ARG 10 HG2 ARG 10 -17.726 0.663 11.398 77 HG3 ARG 10 HG1 ARG 10 -17.754 0.845 9.644 78 HD2 ARG 10 HD2 ARG 10 -18.642 -1.548 9.589 79 HD3 ARG 10 HD1 ARG 10 -18.927 -1.352 11.317 80 HE ARG 10 HE ARG 10 -20.090 0.825 10.033 81 HH11 ARG 10 HH11 ARG 10 -20.487 -2.650 10.153 82 HH12 ARG 10 HH12 ARG 10 -22.195 -2.600 9.840 83 HH21 ARG 10 HH21 ARG 10 -22.334 0.898 9.602 84 HH22 ARG 10 HH22 ARG 10 -23.240 -0.579 9.518 85 H LYS 11 HN LYS 11 -14.321 -3.028 8.800 86 HA LYS 11 HA LYS 11 -12.275 -1.112 7.920 87 HB2 LYS 11 HB2 LYS 11 -11.945 -3.807 9.257 88 HB3 LYS 11 HB1 LYS 11 -10.620 -2.802 8.686 89 HG2 LYS 11 HG2 LYS 11 -12.608 -1.954 10.782 90 HG3 LYS 11 HG1 LYS 11 -11.021 -2.644 11.123 91 HD2 LYS 11 HD2 LYS 11 -9.903 -0.790 10.180 92 HD3 LYS 11 HD1 LYS 11 -11.382 -0.174 9.438 93 HE2 LYS 11 HE2 LYS 11 -12.299 0.203 11.712 94 HE3 LYS 11 HE1 LYS 11 -10.753 -0.314 12.383 95 HZ1 LYS 11 HZ1 LYS 11 -9.750 1.612 11.813 96 HZ2 LYS 11 HZ2 LYS 11 -11.333 2.217 11.892 97 HZ3 LYS 11 HZ3 LYS 11 -10.662 1.813 10.394 98 H LEU 12 HN LEU 12 -11.399 -1.320 5.976 99 HA LEU 12 HA LEU 12 -12.561 -2.762 3.941 100 HB2 LEU 12 HB2 LEU 12 -11.124 -0.777 3.674 101 HB3 LEU 12 HB1 LEU 12 -9.720 -1.769 4.012 102 HG LEU 12 HG LEU 12 -10.320 -3.149 1.987 103 HD11 LEU 12 HD11 LEU 12 -12.213 -0.860 1.474 104 HD12 LEU 12 HD12 LEU 12 -12.672 -2.523 1.834 105 HD13 LEU 12 HD13 LEU 12 -11.814 -2.150 0.340 106 HD21 LEU 12 HD21 LEU 12 -9.447 -1.500 0.395 107 HD22 LEU 12 HD22 LEU 12 -8.550 -1.494 1.912 108 HD23 LEU 12 HD23 LEU 12 -9.724 -0.222 1.577 109 HA PRO 13 HA PRO 13 -8.730 -5.949 4.205 110 HB2 PRO 13 HB2 PRO 13 -8.427 -6.553 6.949 111 HB3 PRO 13 HB1 PRO 13 -7.267 -5.695 5.919 112 HG2 PRO 13 HG2 PRO 13 -9.267 -4.608 7.812 113 HG3 PRO 13 HG1 PRO 13 -7.653 -4.002 7.392 114 HD2 PRO 13 HD2 PRO 13 -9.837 -2.804 6.453 115 HD3 PRO 13 HD1 PRO 13 -8.394 -2.997 5.435 116 H GLN 14 HN GLN 14 -11.399 -5.810 6.547 117 HA GLN 14 HA GLN 14 -11.767 -8.686 6.378 118 HB2 GLN 14 HB2 GLN 14 -12.036 -7.431 8.526 119 HB3 GLN 14 HB1 GLN 14 -13.467 -6.671 7.846 120 HG2 GLN 14 HG2 GLN 14 -14.668 -8.662 7.832 121 HG3 GLN 14 HG1 GLN 14 -13.216 -9.649 7.973 122 HE21 GLN 14 HE21 GLN 14 -11.988 -8.201 10.076 123 HE22 GLN 14 HE22 GLN 14 -12.919 -8.471 11.508 124 H LEU 15 HN LEU 15 -13.201 -5.766 5.109 125 HA LEU 15 HA LEU 15 -15.658 -6.821 4.245 126 HB2 LEU 15 HB2 LEU 15 -15.239 -4.430 4.299 127 HB3 LEU 15 HB1 LEU 15 -13.982 -4.592 3.086 128 HG LEU 15 HG LEU 15 -15.946 -5.578 1.632 129 HD11 LEU 15 HD11 LEU 15 -17.615 -5.587 3.374 130 HD12 LEU 15 HD12 LEU 15 -18.072 -4.451 2.106 131 HD13 LEU 15 HD13 LEU 15 -17.404 -3.854 3.625 132 HD21 LEU 15 HD21 LEU 15 -16.358 -3.345 0.747 133 HD22 LEU 15 HD22 LEU 15 -14.648 -3.586 1.091 134 HD23 LEU 15 HD23 LEU 15 -15.640 -2.632 2.189 135 H CYS 16 HN CYS 16 -12.469 -6.769 2.788 136 HA CYS 16 HA CYS 16 -13.162 -7.684 0.227 137 HB2 CYS 16 HB2 CYS 16 -10.577 -8.252 1.677 138 HB3 CYS 16 HB1 CYS 16 -10.830 -8.161 -0.063 139 HG CYS 16 HG CYS 16 -11.144 -5.492 2.063 140 H THR 17 HN THR 17 -12.533 -9.378 3.238 141 HA THR 17 HA THR 17 -12.333 -11.976 2.161 142 HB THR 17 HB THR 17 -13.404 -11.485 4.915 143 HG1 THR 17 HG1 THR 17 -10.661 -11.197 4.196 144 HG21 THR 17 HG21 THR 17 -11.397 -13.419 3.743 145 HG22 THR 17 HG22 THR 17 -13.051 -13.788 4.221 146 HG23 THR 17 HG23 THR 17 -11.861 -13.350 5.442 147 H GLU 18 HN GLU 18 -15.082 -10.093 3.386 148 HA GLU 18 HA GLU 18 -16.989 -12.174 3.233 149 HB2 GLU 18 HB2 GLU 18 -17.296 -9.171 3.141 150 HB3 GLU 18 HB1 GLU 18 -18.665 -10.275 3.154 151 HG2 GLU 18 HG2 GLU 18 -17.317 -11.184 5.292 152 HG3 GLU 18 HG1 GLU 18 -16.834 -9.489 5.321 153 H LEU 19 HN LEU 19 -15.774 -9.859 0.907 154 HA LEU 19 HA LEU 19 -17.697 -10.614 -1.115 155 HB2 LEU 19 HB2 LEU 19 -15.891 -8.453 -0.684 156 HB3 LEU 19 HB1 LEU 19 -15.505 -9.184 -2.228 157 HG LEU 19 HG LEU 19 -18.271 -8.253 -1.467 158 HD11 LEU 19 HD11 LEU 19 -16.188 -6.860 -3.141 159 HD12 LEU 19 HD12 LEU 19 -16.715 -6.369 -1.532 160 HD13 LEU 19 HD13 LEU 19 -17.847 -6.319 -2.883 161 HD21 LEU 19 HD21 LEU 19 -18.182 -9.996 -3.199 162 HD22 LEU 19 HD22 LEU 19 -17.077 -8.992 -4.138 163 HD23 LEU 19 HD23 LEU 19 -18.730 -8.448 -3.846 164 H GLN 20 HN GLN 20 -15.087 -12.109 0.126 165 HA GLN 20 HA GLN 20 -13.723 -13.796 -0.519 166 HB2 GLN 20 HB2 GLN 20 -15.725 -13.986 -2.772 167 HB3 GLN 20 HB1 GLN 20 -14.472 -15.181 -2.462 168 HG2 GLN 20 HG2 GLN 20 -16.529 -14.411 -0.414 169 HG3 GLN 20 HG1 GLN 20 -16.774 -15.710 -1.581 170 HE21 GLN 20 HE21 GLN 20 -15.027 -14.677 1.243 171 HE22 GLN 20 HE22 GLN 20 -14.355 -16.225 1.635 172 H THR 21 HN THR 21 -12.936 -11.203 -1.245 173 HA THR 21 HA THR 21 -11.271 -11.842 -3.571 174 HB THR 21 HB THR 21 -13.170 -10.364 -4.284 175 HG1 THR 21 HG1 THR 21 -11.819 -9.528 -5.687 176 HG21 THR 21 HG21 THR 21 -13.347 -9.058 -2.193 177 HG22 THR 21 HG22 THR 21 -13.185 -8.033 -3.623 178 HG23 THR 21 HG23 THR 21 -11.798 -8.296 -2.564 179 H THR 22 HN THR 22 -9.649 -9.736 -3.706 180 HA THR 22 HA THR 22 -8.510 -9.523 -0.995 181 HB THR 22 HB THR 22 -6.302 -9.207 -2.362 182 HG1 THR 22 HG1 THR 22 -7.822 -10.808 -4.169 183 HG21 THR 22 HG21 THR 22 -5.884 -11.619 -2.271 184 HG22 THR 22 HG22 THR 22 -7.617 -11.915 -2.099 185 HG23 THR 22 HG23 THR 22 -6.737 -11.067 -0.825 186 H ILE 23 HN ILE 23 -7.054 -7.622 -0.712 187 HA ILE 23 HA ILE 23 -8.400 -5.214 -1.484 188 HB ILE 23 HB ILE 23 -5.660 -5.295 -0.238 189 HG12 ILE 23 HG12 ILE 23 -8.267 -5.627 1.263 190 HG13 ILE 23 HG11 ILE 23 -7.147 -6.941 0.933 191 HG21 ILE 23 HG21 ILE 23 -6.547 -3.307 0.963 192 HG22 ILE 23 HG22 ILE 23 -8.016 -3.434 -0.001 193 HG23 ILE 23 HG23 ILE 23 -6.472 -3.109 -0.787 194 HD11 ILE 23 HD11 ILE 23 -6.613 -4.502 2.609 195 HD12 ILE 23 HD12 ILE 23 -5.420 -5.743 2.220 196 HD13 ILE 23 HD13 ILE 23 -6.842 -6.157 3.180 197 H HIS 24 HN HIS 24 -6.482 -7.158 -3.205 198 HA HIS 24 HA HIS 24 -4.993 -5.031 -4.558 199 HB2 HIS 24 HB2 HIS 24 -4.678 -7.969 -5.126 200 HB3 HIS 24 HB1 HIS 24 -3.515 -6.673 -5.368 201 HD1 HIS 24 HD1 HIS 24 -2.805 -5.513 -2.859 202 HD2 HIS 24 HD2 HIS 24 -4.101 -9.461 -2.985 203 HE1 HIS 24 HE1 HIS 24 -2.040 -6.582 -0.697 204 H ASP 25 HN ASP 25 -7.921 -6.407 -4.772 205 HA ASP 25 HA ASP 25 -8.028 -5.973 -7.668 206 HB2 ASP 25 HB2 ASP 25 -7.897 -8.385 -7.367 207 HB3 ASP 25 HB1 ASP 25 -9.241 -8.341 -6.231 208 H ILE 26 HN ILE 26 -9.701 -6.030 -4.573 209 HA ILE 26 HA ILE 26 -12.236 -5.292 -5.548 210 HB ILE 26 HB ILE 26 -11.900 -6.195 -3.289 211 HG12 ILE 26 HG12 ILE 26 -13.130 -3.440 -3.144 212 HG13 ILE 26 HG11 ILE 26 -13.911 -4.813 -3.920 213 HG21 ILE 26 HG21 ILE 26 -11.002 -4.920 -1.490 214 HG22 ILE 26 HG22 ILE 26 -10.819 -3.498 -2.517 215 HG23 ILE 26 HG23 ILE 26 -9.819 -4.923 -2.795 216 HD11 ILE 26 HD11 ILE 26 -14.737 -4.435 -1.653 217 HD12 ILE 26 HD12 ILE 26 -13.105 -4.680 -1.023 218 HD13 ILE 26 HD13 ILE 26 -13.955 -6.010 -1.813 219 H ILE 27 HN ILE 27 -12.917 -3.469 -6.422 220 HA ILE 27 HA ILE 27 -11.330 -1.026 -6.004 221 HB ILE 27 HB ILE 27 -13.125 -1.735 -8.329 222 HG12 ILE 27 HG12 ILE 27 -11.038 -3.021 -8.338 223 HG13 ILE 27 HG11 ILE 27 -11.054 -1.839 -9.641 224 HG21 ILE 27 HG21 ILE 27 -12.265 0.311 -9.370 225 HG22 ILE 27 HG22 ILE 27 -11.383 0.686 -7.888 226 HG23 ILE 27 HG23 ILE 27 -13.149 0.650 -7.879 227 HD11 ILE 27 HD11 ILE 27 -9.667 -0.352 -8.200 228 HD12 ILE 27 HD12 ILE 27 -8.886 -1.857 -8.683 229 HD13 ILE 27 HD13 ILE 27 -9.539 -1.686 -7.053 230 H LEU 28 HN LEU 28 -12.293 0.126 -4.461 231 HA LEU 28 HA LEU 28 -15.206 0.222 -4.330 232 HB2 LEU 28 HB2 LEU 28 -13.092 0.390 -2.395 233 HB3 LEU 28 HB1 LEU 28 -14.057 1.852 -2.320 234 HG LEU 28 HG LEU 28 -16.094 0.413 -2.078 235 HD11 LEU 28 HD11 LEU 28 -15.798 -1.914 -1.434 236 HD12 LEU 28 HD12 LEU 28 -14.062 -1.781 -1.703 237 HD13 LEU 28 HD13 LEU 28 -15.177 -1.631 -3.062 238 HD21 LEU 28 HD21 LEU 28 -15.145 1.449 -0.138 239 HD22 LEU 28 HD22 LEU 28 -13.922 0.187 -0.003 240 HD23 LEU 28 HD23 LEU 28 -15.620 -0.196 0.278 241 H GLU 29 HN GLU 29 -16.295 2.273 -4.146 242 HA GLU 29 HA GLU 29 -14.946 4.352 -5.724 243 HB2 GLU 29 HB2 GLU 29 -17.885 3.711 -5.397 244 HB3 GLU 29 HB1 GLU 29 -17.279 5.137 -6.232 245 HG2 GLU 29 HG2 GLU 29 -16.382 3.887 -7.976 246 HG3 GLU 29 HG1 GLU 29 -16.414 2.390 -7.047 247 H CYS 30 HN CYS 30 -15.428 6.572 -5.181 248 HA CYS 30 HA CYS 30 -15.177 7.075 -2.400 249 HB2 CYS 30 HB2 CYS 30 -14.162 8.531 -4.126 250 HB3 CYS 30 HB1 CYS 30 -15.772 9.015 -4.646 251 H VAL 31 HN VAL 31 -16.629 7.917 -0.951 252 HA VAL 31 HA VAL 31 -19.385 7.334 -1.429 253 HB VAL 31 HB VAL 31 -18.456 6.975 0.780 254 HG11 VAL 31 HG11 VAL 31 -17.799 8.859 2.224 255 HG12 VAL 31 HG12 VAL 31 -17.972 9.950 0.847 256 HG13 VAL 31 HG13 VAL 31 -16.749 8.678 0.816 257 HG21 VAL 31 HG21 VAL 31 -20.488 9.203 0.776 258 HG22 VAL 31 HG22 VAL 31 -20.115 8.168 2.156 259 HG23 VAL 31 HG23 VAL 31 -20.821 7.474 0.696 260 H TYR 32 HN TYR 32 -17.396 10.188 -1.612 261 HA TYR 32 HA TYR 32 -19.775 11.889 -1.852 262 HB2 TYR 32 HB2 TYR 32 -16.860 12.635 -1.577 263 HB3 TYR 32 HB1 TYR 32 -18.190 13.784 -1.692 264 HD1 TYR 32 HD2 TYR 32 -20.177 13.143 0.083 265 HD2 TYR 32 HD1 TYR 32 -16.029 12.319 0.533 266 HE1 TYR 32 HE2 TYR 32 -20.471 13.024 2.523 267 HE2 TYR 32 HE1 TYR 32 -16.310 12.196 2.972 268 HH TYR 32 HH TYR 32 -17.760 12.859 4.689 269 H CYS 33 HN CYS 33 -16.641 11.455 -3.517 270 HA CYS 33 HA CYS 33 -17.494 12.841 -5.846 271 HB2 CYS 33 HB2 CYS 33 -15.248 10.839 -5.778 272 HB3 CYS 33 HB1 CYS 33 -15.390 12.298 -6.754 273 H LYS 34 HN LYS 34 -17.750 9.565 -4.774 274 HA LYS 34 HA LYS 34 -18.717 7.706 -5.631 275 HB2 LYS 34 HB2 LYS 34 -20.099 9.656 -7.489 276 HB3 LYS 34 HB1 LYS 34 -20.613 8.009 -7.151 277 HG2 LYS 34 HG2 LYS 34 -21.178 8.541 -4.919 278 HG3 LYS 34 HG1 LYS 34 -20.372 10.107 -5.012 279 HD2 LYS 34 HD2 LYS 34 -22.051 10.687 -6.833 280 HD3 LYS 34 HD1 LYS 34 -22.931 9.241 -6.335 281 HE2 LYS 34 HE2 LYS 34 -23.925 11.023 -5.161 282 HE3 LYS 34 HE1 LYS 34 -22.900 10.194 -3.991 283 HZ1 LYS 34 HZ1 LYS 34 -21.164 11.925 -4.567 284 HZ2 LYS 34 HZ2 LYS 34 -22.503 12.474 -3.692 285 HZ3 LYS 34 HZ3 LYS 34 -22.399 12.776 -5.350 286 H GLN 35 HN GLN 35 -16.181 8.329 -6.572 287 HA GLN 35 HA GLN 35 -16.285 7.295 -9.326 288 HB2 GLN 35 HB2 GLN 35 -14.564 9.368 -8.061 289 HB3 GLN 35 HB1 GLN 35 -13.827 8.326 -9.273 290 HG2 GLN 35 HG2 GLN 35 -16.220 10.114 -9.629 291 HG3 GLN 35 HG1 GLN 35 -14.614 10.328 -10.325 292 HE21 GLN 35 HE21 GLN 35 -17.612 8.595 -10.505 293 HE22 GLN 35 HE22 GLN 35 -17.310 7.822 -12.025 294 H GLN 36 HN GLN 36 -14.660 5.771 -9.918 295 HA GLN 36 HA GLN 36 -14.142 3.861 -7.881 296 HB2 GLN 36 HB2 GLN 36 -13.299 4.047 -10.769 297 HB3 GLN 36 HB1 GLN 36 -12.857 2.695 -9.734 298 HG2 GLN 36 HG2 GLN 36 -15.158 2.113 -9.410 299 HG3 GLN 36 HG1 GLN 36 -15.686 3.556 -10.270 300 HE21 GLN 36 HE21 GLN 36 -12.995 1.567 -11.293 301 HE22 GLN 36 HE22 GLN 36 -13.749 0.947 -12.716 302 H LEU 37 HN LEU 37 -12.507 3.724 -6.539 303 HA LEU 37 HA LEU 37 -10.253 5.524 -6.767 304 HB2 LEU 37 HB2 LEU 37 -11.391 3.734 -4.697 305 HB3 LEU 37 HB1 LEU 37 -9.661 3.997 -4.628 306 HG LEU 37 HG LEU 37 -10.246 6.510 -4.665 307 HD11 LEU 37 HD11 LEU 37 -12.608 6.197 -5.292 308 HD12 LEU 37 HD12 LEU 37 -12.418 7.089 -3.782 309 HD13 LEU 37 HD13 LEU 37 -12.890 5.390 -3.749 310 HD21 LEU 37 HD21 LEU 37 -9.288 5.601 -2.725 311 HD22 LEU 37 HD22 LEU 37 -10.720 4.634 -2.370 312 HD23 LEU 37 HD23 LEU 37 -10.769 6.383 -2.171 313 H LEU 38 HN LEU 38 -8.243 4.997 -7.411 314 HA LEU 38 HA LEU 38 -7.770 2.453 -8.618 315 HB2 LEU 38 HB2 LEU 38 -5.785 4.634 -7.957 316 HB3 LEU 38 HB1 LEU 38 -5.519 3.298 -9.060 317 HG LEU 38 HG LEU 38 -7.602 5.434 -9.492 318 HD11 LEU 38 HD11 LEU 38 -4.821 5.206 -10.631 319 HD12 LEU 38 HD12 LEU 38 -5.403 6.451 -9.525 320 HD13 LEU 38 HD13 LEU 38 -6.052 6.349 -11.161 321 HD21 LEU 38 HD21 LEU 38 -8.111 3.376 -10.639 322 HD22 LEU 38 HD22 LEU 38 -6.471 3.287 -11.280 323 HD23 LEU 38 HD23 LEU 38 -7.555 4.575 -11.807 324 H ARG 39 HN ARG 39 -6.025 0.980 -7.981 325 HA ARG 39 HA ARG 39 -6.223 0.167 -5.330 326 HB2 ARG 39 HB2 ARG 39 -4.204 -1.266 -5.829 327 HB3 ARG 39 HB1 ARG 39 -5.577 -1.459 -6.911 328 HG2 ARG 39 HG2 ARG 39 -4.487 -0.139 -8.602 329 HG3 ARG 39 HG1 ARG 39 -3.151 0.222 -7.504 330 HD2 ARG 39 HD2 ARG 39 -3.873 -2.610 -8.162 331 HD3 ARG 39 HD1 ARG 39 -2.873 -1.666 -9.263 332 HE ARG 39 HE ARG 39 -1.671 -1.364 -6.834 333 HH11 ARG 39 HH11 ARG 39 -2.632 -4.130 -8.752 334 HH12 ARG 39 HH12 ARG 39 -1.329 -5.131 -8.185 335 HH21 ARG 39 HH21 ARG 39 0.033 -2.692 -6.059 336 HH22 ARG 39 HH22 ARG 39 0.173 -4.318 -6.659 337 H ARG 40 HN ARG 40 -4.130 2.515 -6.741 338 HA ARG 40 HA ARG 40 -2.027 2.530 -4.893 339 HB2 ARG 40 HB2 ARG 40 -1.741 3.749 -6.901 340 HB3 ARG 40 HB1 ARG 40 -3.229 4.654 -6.659 341 HG2 ARG 40 HG2 ARG 40 -2.057 5.639 -4.599 342 HG3 ARG 40 HG1 ARG 40 -0.573 5.004 -5.319 343 HD2 ARG 40 HD2 ARG 40 -1.014 7.370 -5.916 344 HD3 ARG 40 HD1 ARG 40 -0.933 6.302 -7.316 345 HE ARG 40 HE ARG 40 -3.614 6.620 -6.373 346 HH11 ARG 40 HH11 ARG 40 -1.117 8.085 -8.357 347 HH12 ARG 40 HH12 ARG 40 -2.239 9.032 -9.281 348 HH21 ARG 40 HH21 ARG 40 -5.089 7.857 -7.585 349 HH22 ARG 40 HH22 ARG 40 -4.494 8.897 -8.851 350 H GLU 41 HN GLU 41 -4.997 4.516 -4.971 351 HA GLU 41 HA GLU 41 -4.476 5.599 -2.369 352 HB2 GLU 41 HB2 GLU 41 -7.036 6.260 -2.678 353 HB3 GLU 41 HB1 GLU 41 -5.739 7.128 -3.477 354 HG2 GLU 41 HG2 GLU 41 -7.007 4.833 -4.882 355 HG3 GLU 41 HG1 GLU 41 -7.873 6.367 -4.784 356 H VAL 42 HN VAL 42 -6.097 2.792 -3.566 357 HA VAL 42 HA VAL 42 -7.796 2.282 -1.382 358 HB VAL 42 HB VAL 42 -6.474 0.398 -3.343 359 HG11 VAL 42 HG11 VAL 42 -7.989 -1.348 -2.541 360 HG12 VAL 42 HG12 VAL 42 -8.546 -0.275 -1.257 361 HG13 VAL 42 HG13 VAL 42 -6.873 -0.832 -1.277 362 HG21 VAL 42 HG21 VAL 42 -8.709 0.239 -4.296 363 HG22 VAL 42 HG22 VAL 42 -8.174 1.920 -4.243 364 HG23 VAL 42 HG23 VAL 42 -9.332 1.322 -3.052 365 H TYR 43 HN TYR 43 -4.422 1.391 -2.020 366 HA TYR 43 HA TYR 43 -4.064 -0.014 0.440 367 HB2 TYR 43 HB2 TYR 43 -2.035 1.236 -1.423 368 HB3 TYR 43 HB1 TYR 43 -1.631 0.205 -0.057 369 HD1 TYR 43 HD1 TYR 43 -3.798 -1.868 -0.380 370 HD2 TYR 43 HD2 TYR 43 -1.233 -0.018 -3.221 371 HE1 TYR 43 HE1 TYR 43 -3.976 -3.847 -1.832 372 HE2 TYR 43 HE2 TYR 43 -1.404 -1.986 -4.672 373 HH TYR 43 HH TYR 43 -3.619 -4.097 -4.639 374 H ASP 44 HN ASP 44 -3.581 3.267 -0.664 375 HA ASP 44 HA ASP 44 -2.210 4.294 1.568 376 HB2 ASP 44 HB2 ASP 44 -2.662 5.332 -0.774 377 HB3 ASP 44 HB1 ASP 44 -4.167 5.902 -0.067 378 H PHE 45 HN PHE 45 -5.608 3.861 0.838 379 HA PHE 45 HA PHE 45 -6.695 5.226 3.062 380 HB2 PHE 45 HB2 PHE 45 -8.017 4.715 1.068 381 HB3 PHE 45 HB1 PHE 45 -7.809 2.992 1.344 382 HD1 PHE 45 HD1 PHE 45 -9.534 6.029 2.443 383 HD2 PHE 45 HD2 PHE 45 -9.126 1.825 2.974 384 HE1 PHE 45 HE1 PHE 45 -11.632 5.990 3.728 385 HE2 PHE 45 HE2 PHE 45 -11.222 1.780 4.260 386 HZ PHE 45 HZ PHE 45 -12.479 3.864 4.636 387 H ALA 46 HN ALA 46 -5.909 1.829 2.461 388 HA ALA 46 HA ALA 46 -6.775 0.938 5.044 389 HB1 ALA 46 HB1 ALA 46 -6.835 -0.541 3.106 390 HB2 ALA 46 HB2 ALA 46 -5.832 -1.216 4.392 391 HB3 ALA 46 HB3 ALA 46 -5.079 -0.463 2.986 392 H PHE 47 HN PHE 47 -3.965 2.477 3.930 393 HA PHE 47 HA PHE 47 -2.080 1.286 5.704 394 HB2 PHE 47 HB2 PHE 47 -1.812 2.845 3.533 395 HB3 PHE 47 HB1 PHE 47 -1.659 4.078 4.781 396 HD1 PHE 47 HD1 PHE 47 -0.270 0.856 3.607 397 HD2 PHE 47 HD2 PHE 47 0.338 4.345 5.966 398 HE1 PHE 47 HE1 PHE 47 2.084 0.224 3.930 399 HE2 PHE 47 HE2 PHE 47 2.693 3.720 6.290 400 HZ PHE 47 HZ PHE 47 3.568 1.659 5.270 401 H ARG 48 HN ARG 48 -4.433 3.798 5.948 402 HA ARG 48 HA ARG 48 -3.444 4.569 8.605 403 HB2 ARG 48 HB2 ARG 48 -5.454 5.931 6.791 404 HB3 ARG 48 HB1 ARG 48 -5.000 6.498 8.392 405 HG2 ARG 48 HG2 ARG 48 -2.716 6.852 7.635 406 HG3 ARG 48 HG1 ARG 48 -3.144 6.247 6.033 407 HD2 ARG 48 HD2 ARG 48 -4.883 8.078 5.948 408 HD3 ARG 48 HD1 ARG 48 -4.130 8.741 7.396 409 HE ARG 48 HE ARG 48 -2.349 9.461 6.130 410 HH11 ARG 48 HH11 ARG 48 -4.372 7.347 4.218 411 HH12 ARG 48 HH12 ARG 48 -3.607 7.753 2.706 412 HH21 ARG 48 HH21 ARG 48 -1.331 10.002 4.130 413 HH22 ARG 48 HH22 ARG 48 -1.885 9.250 2.665 414 H ASP 49 HN ASP 49 -5.182 4.873 10.282 415 HA ASP 49 HA ASP 49 -6.881 2.542 10.226 416 HB2 ASP 49 HB2 ASP 49 -5.563 3.655 12.260 417 HB3 ASP 49 HB1 ASP 49 -7.103 4.492 12.454 418 H LEU 50 HN LEU 50 -7.917 3.681 8.287 419 HA LEU 50 HA LEU 50 -10.007 5.557 9.060 420 HB2 LEU 50 HB2 LEU 50 -9.108 4.463 6.397 421 HB3 LEU 50 HB1 LEU 50 -10.506 5.506 6.577 422 HG LEU 50 HG LEU 50 -7.822 6.385 7.579 423 HD11 LEU 50 HD11 LEU 50 -8.858 6.702 4.764 424 HD12 LEU 50 HD12 LEU 50 -7.472 5.727 5.258 425 HD13 LEU 50 HD13 LEU 50 -7.423 7.482 5.432 426 HD21 LEU 50 HD21 LEU 50 -8.773 8.606 7.128 427 HD22 LEU 50 HD22 LEU 50 -9.748 7.679 8.269 428 HD23 LEU 50 HD23 LEU 50 -10.271 7.841 6.590 429 H CYS 51 HN CYS 51 -12.207 5.046 7.884 430 HA CYS 51 HA CYS 51 -12.836 2.200 8.218 431 HB2 CYS 51 HB2 CYS 51 -14.491 4.481 9.325 432 HB3 CYS 51 HB1 CYS 51 -14.885 2.770 9.430 433 HG CYS 51 HG CYS 51 -13.265 4.566 11.560 434 H ILE 52 HN ILE 52 -14.807 1.543 7.166 435 HA ILE 52 HA ILE 52 -15.086 2.809 4.592 436 HB ILE 52 HB ILE 52 -16.556 0.428 5.741 437 HG12 ILE 52 HG12 ILE 52 -14.222 0.457 3.821 438 HG13 ILE 52 HG11 ILE 52 -14.058 0.189 5.554 439 HG21 ILE 52 HG21 ILE 52 -16.318 1.397 2.894 440 HG22 ILE 52 HG22 ILE 52 -17.770 1.452 3.896 441 HG23 ILE 52 HG23 ILE 52 -17.093 -0.104 3.409 442 HD11 ILE 52 HD11 ILE 52 -14.229 -1.796 3.835 443 HD12 ILE 52 HD12 ILE 52 -15.956 -1.525 4.058 444 HD13 ILE 52 HD13 ILE 52 -14.934 -1.900 5.446 445 H VAL 53 HN VAL 53 -16.734 4.040 3.890 446 HA VAL 53 HA VAL 53 -18.822 4.743 5.824 447 HB VAL 53 HB VAL 53 -18.225 6.147 3.215 448 HG11 VAL 53 HG11 VAL 53 -19.350 8.045 4.332 449 HG12 VAL 53 HG12 VAL 53 -19.710 6.990 5.701 450 HG13 VAL 53 HG13 VAL 53 -20.402 6.648 4.113 451 HG21 VAL 53 HG21 VAL 53 -17.067 6.686 5.946 452 HG22 VAL 53 HG22 VAL 53 -17.005 7.823 4.601 453 HG23 VAL 53 HG23 VAL 53 -16.197 6.263 4.472 454 H TYR 54 HN TYR 54 -20.871 4.059 5.499 455 HA TYR 54 HA TYR 54 -21.380 2.633 2.992 456 HB2 TYR 54 HB2 TYR 54 -22.581 2.427 5.739 457 HB3 TYR 54 HB1 TYR 54 -23.404 1.757 4.332 458 HD1 TYR 54 HD2 TYR 54 -20.222 1.615 6.249 459 HD2 TYR 54 HD1 TYR 54 -22.783 -0.329 3.462 460 HE1 TYR 54 HE2 TYR 54 -18.828 -0.406 6.385 461 HE2 TYR 54 HE1 TYR 54 -21.393 -2.353 3.587 462 HH TYR 54 HH TYR 54 -18.703 -2.602 5.857 463 H ARG 55 HN ARG 55 -22.276 3.824 1.495 464 HA ARG 55 HA ARG 55 -24.047 6.024 2.164 465 HB2 ARG 55 HB2 ARG 55 -22.249 5.741 0.193 466 HB3 ARG 55 HB1 ARG 55 -23.656 5.115 -0.648 467 HG2 ARG 55 HG2 ARG 55 -23.526 7.817 0.672 468 HG3 ARG 55 HG1 ARG 55 -23.230 7.523 -1.042 469 HD2 ARG 55 HD2 ARG 55 -25.790 7.085 0.482 470 HD3 ARG 55 HD1 ARG 55 -25.483 8.275 -0.780 471 HE ARG 55 HE ARG 55 -25.411 5.383 -1.353 472 HH11 ARG 55 HH11 ARG 55 -26.625 8.606 -2.032 473 HH12 ARG 55 HH12 ARG 55 -27.524 8.097 -3.425 474 HH21 ARG 55 HH21 ARG 55 -26.599 4.734 -3.186 475 HH22 ARG 55 HH22 ARG 55 -27.501 5.913 -4.088 476 H ASP 56 HN ASP 56 -26.009 5.387 2.806 477 HA ASP 56 HA ASP 56 -28.146 4.642 2.682 478 HB2 ASP 56 HB2 ASP 56 -28.379 5.225 0.403 479 HB3 ASP 56 HB1 ASP 56 -27.317 3.922 -0.123 480 H GLY 57 HN GLY 57 -26.085 2.223 1.063 481 HA2 GLY 57 HA2 GLY 57 -26.191 0.375 3.189 482 HA3 GLY 57 HA1 GLY 57 -27.431 -0.038 2.010 483 H ASN 58 HN ASN 58 -24.332 1.428 1.268 484 HA ASN 58 HA ASN 58 -23.308 -1.097 0.212 485 HB2 ASN 58 HB2 ASN 58 -24.606 0.246 -1.578 486 HB3 ASN 58 HB1 ASN 58 -23.266 1.382 -1.507 487 HD21 ASN 58 HD21 ASN 58 -21.354 0.874 -2.469 488 HD22 ASN 58 HD22 ASN 58 -21.112 -0.555 -3.409 489 HA PRO 59 HA PRO 59 -19.644 0.562 2.084 490 HB2 PRO 59 HB2 PRO 59 -17.807 -1.059 0.875 491 HB3 PRO 59 HB1 PRO 59 -18.856 -1.595 2.202 492 HG2 PRO 59 HG2 PRO 59 -19.143 -2.040 -0.725 493 HG3 PRO 59 HG1 PRO 59 -19.427 -3.160 0.622 494 HD2 PRO 59 HD2 PRO 59 -21.440 -1.896 -0.652 495 HD3 PRO 59 HD1 PRO 59 -21.510 -2.306 1.073 496 H TYR 60 HN TYR 60 -18.740 2.423 1.583 497 HA TYR 60 HA TYR 60 -17.588 2.778 -1.100 498 HB2 TYR 60 HB2 TYR 60 -19.301 4.650 0.501 499 HB3 TYR 60 HB1 TYR 60 -18.102 5.297 -0.613 500 HD1 TYR 60 HD2 TYR 60 -21.249 3.455 -0.323 501 HD2 TYR 60 HD1 TYR 60 -18.374 5.053 -3.013 502 HE1 TYR 60 HE2 TYR 60 -22.835 3.177 -2.175 503 HE2 TYR 60 HE1 TYR 60 -19.953 4.779 -4.878 504 HH TYR 60 HH TYR 60 -21.923 3.493 -5.458 505 H ALA 61 HN ALA 61 -15.741 4.191 -1.173 506 HA ALA 61 HA ALA 61 -14.308 4.200 1.398 507 HB1 ALA 61 HB1 ALA 61 -12.238 4.057 0.125 508 HB2 ALA 61 HB2 ALA 61 -13.145 4.104 -1.386 509 HB3 ALA 61 HB3 ALA 61 -13.315 2.727 -0.297 510 H VAL 62 HN VAL 62 -12.326 5.840 1.051 511 HA VAL 62 HA VAL 62 -13.535 8.427 0.345 512 HB VAL 62 HB VAL 62 -11.376 7.937 2.414 513 HG11 VAL 62 HG11 VAL 62 -11.791 10.219 3.093 514 HG12 VAL 62 HG12 VAL 62 -13.063 10.374 1.882 515 HG13 VAL 62 HG13 VAL 62 -11.386 10.168 1.376 516 HG21 VAL 62 HG21 VAL 62 -13.527 6.916 3.077 517 HG22 VAL 62 HG22 VAL 62 -14.305 8.488 2.882 518 HG23 VAL 62 HG23 VAL 62 -13.064 8.267 4.116 519 H CYS 63 HN CYS 63 -12.583 9.383 -1.350 520 HA CYS 63 HA CYS 63 -10.262 8.282 -2.571 521 HB2 CYS 63 HB2 CYS 63 -10.516 10.101 -4.201 522 HB3 CYS 63 HB1 CYS 63 -12.050 9.291 -3.895 523 H ASP 64 HN ASP 64 -8.630 10.027 -3.439 524 HA ASP 64 HA ASP 64 -7.014 10.758 -1.234 525 HB2 ASP 64 HB2 ASP 64 -6.186 10.099 -3.512 526 HB3 ASP 64 HB1 ASP 64 -6.741 11.655 -4.114 527 H LYS 65 HN LYS 65 -9.490 12.377 -2.983 528 HA LYS 65 HA LYS 65 -8.667 15.051 -2.253 529 HB2 LYS 65 HB2 LYS 65 -11.328 14.142 -3.359 530 HB3 LYS 65 HB1 LYS 65 -10.681 15.775 -3.366 531 HG2 LYS 65 HG2 LYS 65 -9.462 15.418 -5.208 532 HG3 LYS 65 HG1 LYS 65 -8.991 13.791 -4.710 533 HD2 LYS 65 HD2 LYS 65 -10.351 13.655 -6.708 534 HD3 LYS 65 HD1 LYS 65 -11.252 12.989 -5.345 535 HE2 LYS 65 HE2 LYS 65 -12.276 15.326 -5.123 536 HE3 LYS 65 HE1 LYS 65 -11.623 15.629 -6.732 537 HZ1 LYS 65 HZ1 LYS 65 -13.855 14.898 -6.963 538 HZ2 LYS 65 HZ2 LYS 65 -13.601 13.558 -5.959 539 HZ3 LYS 65 HZ3 LYS 65 -12.865 13.629 -7.481 540 H CYS 66 HN CYS 66 -11.459 12.975 -1.504 541 HA CYS 66 HA CYS 66 -12.484 14.610 0.558 542 HB2 CYS 66 HB2 CYS 66 -12.961 11.671 0.057 543 HB3 CYS 66 HB1 CYS 66 -13.975 12.742 1.017 544 H LEU 67 HN LEU 67 -9.892 12.414 0.517 545 HA LEU 67 HA LEU 67 -9.840 11.264 2.995 546 HB2 LEU 67 HB2 LEU 67 -8.182 11.124 1.046 547 HB3 LEU 67 HB1 LEU 67 -7.400 12.514 1.772 548 HG LEU 67 HG LEU 67 -7.149 11.142 3.880 549 HD11 LEU 67 HD11 LEU 67 -8.022 8.938 2.010 550 HD12 LEU 67 HD12 LEU 67 -8.827 9.458 3.493 551 HD13 LEU 67 HD13 LEU 67 -7.245 8.685 3.574 552 HD21 LEU 67 HD21 LEU 67 -5.296 11.540 2.352 553 HD22 LEU 67 HD22 LEU 67 -5.785 10.150 1.376 554 HD23 LEU 67 HD23 LEU 67 -5.217 9.911 3.030 555 H LYS 68 HN LYS 68 -8.751 14.523 2.171 556 HA LYS 68 HA LYS 68 -8.035 15.129 4.907 557 HB2 LYS 68 HB2 LYS 68 -7.844 17.517 3.829 558 HB3 LYS 68 HB1 LYS 68 -6.614 16.292 3.574 559 HG2 LYS 68 HG2 LYS 68 -7.979 15.702 1.465 560 HG3 LYS 68 HG1 LYS 68 -8.698 17.297 1.692 561 HD2 LYS 68 HD2 LYS 68 -6.443 18.280 1.714 562 HD3 LYS 68 HD1 LYS 68 -5.758 16.683 1.419 563 HE2 LYS 68 HE2 LYS 68 -5.821 17.513 -0.715 564 HE3 LYS 68 HE1 LYS 68 -7.395 16.721 -0.640 565 HZ1 LYS 68 HZ1 LYS 68 -7.332 19.060 -1.554 566 HZ2 LYS 68 HZ2 LYS 68 -7.034 19.578 0.026 567 HZ3 LYS 68 HZ3 LYS 68 -8.470 18.767 -0.338 568 H PHE 69 HN PHE 69 -10.928 15.075 3.235 569 HA PHE 69 HA PHE 69 -12.074 17.452 4.366 570 HB2 PHE 69 HB2 PHE 69 -13.139 15.128 2.807 571 HB3 PHE 69 HB1 PHE 69 -14.255 16.202 3.632 572 HD1 PHE 69 HD1 PHE 69 -11.370 16.316 1.296 573 HD2 PHE 69 HD2 PHE 69 -15.048 18.061 2.524 574 HE1 PHE 69 HE1 PHE 69 -11.283 17.837 -0.627 575 HE2 PHE 69 HE2 PHE 69 -14.961 19.592 0.604 576 HZ PHE 69 HZ PHE 69 -13.077 19.481 -0.970 577 H TYR 70 HN TYR 70 -12.483 13.967 5.029 578 HA TYR 70 HA TYR 70 -13.481 14.724 7.698 579 HB2 TYR 70 HB2 TYR 70 -14.577 12.678 5.772 580 HB3 TYR 70 HB1 TYR 70 -14.911 12.593 7.498 581 HD1 TYR 70 HD2 TYR 70 -16.285 14.311 8.586 582 HD2 TYR 70 HD1 TYR 70 -15.581 14.382 4.393 583 HE1 TYR 70 HE2 TYR 70 -18.127 15.914 8.308 584 HE2 TYR 70 HE1 TYR 70 -17.421 15.990 4.105 585 HH TYR 70 HH TYR 70 -19.480 16.664 5.314 586 H MET 1 HT1 MET 1 23.887 4.788 -0.695 587 HA MET 1 HA MET 1 24.809 7.562 -0.268 588 HB2 MET 1 HB2 MET 1 22.515 8.226 -0.165 589 HB3 MET 1 HB1 MET 1 22.739 7.338 -1.664 590 HG2 MET 1 HG2 MET 1 21.574 6.166 0.851 591 HG3 MET 1 HG1 MET 1 20.628 6.815 -0.486 592 HE1 MET 1 HE1 MET 1 19.259 4.796 -1.229 593 HE2 MET 1 HE2 MET 1 19.780 4.083 0.297 594 HE3 MET 1 HE3 MET 1 19.869 3.141 -1.190 595 H PHE 2 HN PHE 2 25.122 4.804 1.126 596 HA PHE 2 HA PHE 2 24.085 5.658 3.745 597 HB2 PHE 2 HB2 PHE 2 23.828 3.177 2.385 598 HB3 PHE 2 HB1 PHE 2 24.896 2.911 3.758 599 HD1 PHE 2 HD1 PHE 2 21.543 4.053 2.748 600 HD2 PHE 2 HD2 PHE 2 24.076 2.909 5.973 601 HE1 PHE 2 HE1 PHE 2 19.587 3.938 4.237 602 HE2 PHE 2 HE2 PHE 2 22.125 2.792 7.467 603 HZ PHE 2 HZ PHE 2 19.876 3.303 6.600 604 H GLN 3 HN GLN 3 25.466 5.325 5.571 605 HA GLN 3 HA GLN 3 28.316 5.248 4.842 606 HB2 GLN 3 HB2 GLN 3 27.961 6.414 7.426 607 HB3 GLN 3 HB1 GLN 3 28.616 7.151 5.972 608 HG2 GLN 3 HG2 GLN 3 26.886 8.566 6.564 609 HG3 GLN 3 HG1 GLN 3 26.169 7.550 5.315 610 HE21 GLN 3 HE21 GLN 3 26.274 8.274 8.712 611 HE22 GLN 3 HE22 GLN 3 24.824 7.435 9.136 612 H ASP 4 HN ASP 4 29.371 4.993 7.405 613 HA ASP 4 HA ASP 4 28.367 2.340 8.221 614 HB2 ASP 4 HB2 ASP 4 30.928 3.043 7.199 615 HB3 ASP 4 HB1 ASP 4 31.131 2.663 8.905 616 HA PRO 5 HA PRO 5 28.243 1.069 9.611 617 HB2 PRO 5 HB2 PRO 5 27.019 0.422 12.063 618 HB3 PRO 5 HB1 PRO 5 28.674 0.018 11.580 619 HG2 PRO 5 HG2 PRO 5 27.931 1.742 13.650 620 HG3 PRO 5 HG1 PRO 5 29.550 1.555 12.954 621 HD2 PRO 5 HD2 PRO 5 27.495 3.639 12.414 622 HD3 PRO 5 HD1 PRO 5 29.268 3.769 12.429 623 H GLN 6 HN GLN 6 26.010 2.545 11.961 624 HA GLN 6 HA GLN 6 23.855 3.206 11.884 625 HB2 GLN 6 HB2 GLN 6 24.248 2.941 8.914 626 HB3 GLN 6 HB1 GLN 6 22.711 3.415 9.624 627 HG2 GLN 6 HG2 GLN 6 25.325 4.865 9.967 628 HG3 GLN 6 HG1 GLN 6 24.022 5.336 8.881 629 HE21 GLN 6 HE21 GLN 6 21.926 4.613 10.785 630 HE22 GLN 6 HE22 GLN 6 21.942 5.845 11.995 631 H GLU 7 HN GLU 7 24.870 0.233 11.494 632 HA GLU 7 HA GLU 7 23.954 -1.818 11.778 633 HB2 GLU 7 HB2 GLU 7 22.464 -0.853 13.403 634 HB3 GLU 7 HB1 GLU 7 21.408 -0.235 12.140 635 HG2 GLU 7 HG2 GLU 7 20.978 -2.616 11.475 636 HG3 GLU 7 HG1 GLU 7 21.840 -3.101 12.934 637 H ARG 8 HN ARG 8 21.681 0.099 9.822 638 HA ARG 8 HA ARG 8 20.831 -0.176 7.742 639 HB2 ARG 8 HB2 ARG 8 22.928 -2.338 7.463 640 HB3 ARG 8 HB1 ARG 8 21.905 -1.762 6.153 641 HG2 ARG 8 HG2 ARG 8 22.910 0.378 6.179 642 HG3 ARG 8 HG1 ARG 8 23.720 0.053 7.713 643 HD2 ARG 8 HD2 ARG 8 24.938 -1.821 6.492 644 HD3 ARG 8 HD1 ARG 8 24.323 -1.103 5.003 645 HE ARG 8 HE ARG 8 25.467 1.008 6.112 646 HH11 ARG 8 HH11 ARG 8 26.667 -2.274 5.823 647 HH12 ARG 8 HH12 ARG 8 28.332 -1.794 5.815 648 HH21 ARG 8 HH21 ARG 8 27.639 1.637 6.074 649 HH22 ARG 8 HH22 ARG 8 28.897 0.436 5.967 650 HA PRO 9 HA PRO 9 18.189 -3.512 9.437 651 HB2 PRO 9 HB2 PRO 9 15.860 -2.154 9.078 652 HB3 PRO 9 HB1 PRO 9 16.890 -1.936 10.504 653 HG2 PRO 9 HG2 PRO 9 16.636 -0.228 8.086 654 HG3 PRO 9 HG1 PRO 9 16.818 0.238 9.789 655 HD2 PRO 9 HD2 PRO 9 18.869 0.264 8.006 656 HD3 PRO 9 HD1 PRO 9 19.090 0.009 9.748 657 H ARG 10 HN ARG 10 16.619 -4.847 8.407 658 HA ARG 10 HA ARG 10 16.768 -4.695 5.484 659 HB2 ARG 10 HB2 ARG 10 15.965 -6.983 7.291 660 HB3 ARG 10 HB1 ARG 10 16.079 -7.065 5.537 661 HG2 ARG 10 HG2 ARG 10 18.378 -6.422 7.366 662 HG3 ARG 10 HG1 ARG 10 18.030 -8.024 6.716 663 HD2 ARG 10 HD2 ARG 10 18.605 -5.556 5.076 664 HD3 ARG 10 HD1 ARG 10 19.759 -6.841 5.423 665 HE ARG 10 HE ARG 10 17.572 -6.916 3.526 666 HH11 ARG 10 HH11 ARG 10 19.925 -8.763 5.350 667 HH12 ARG 10 HH12 ARG 10 19.796 -10.165 4.334 668 HH21 ARG 10 HH21 ARG 10 17.415 -8.739 2.181 669 HH22 ARG 10 HH22 ARG 10 18.370 -10.150 2.517 670 H LYS 11 HN LYS 11 14.791 -3.442 7.619 671 HA LYS 11 HA LYS 11 12.351 -4.156 6.137 672 HB2 LYS 11 HB2 LYS 11 12.653 -3.232 9.001 673 HB3 LYS 11 HB1 LYS 11 11.107 -3.358 8.173 674 HG2 LYS 11 HG2 LYS 11 13.009 -5.605 8.802 675 HG3 LYS 11 HG1 LYS 11 11.439 -5.301 9.545 676 HD2 LYS 11 HD2 LYS 11 10.344 -5.688 7.386 677 HD3 LYS 11 HD1 LYS 11 11.916 -5.985 6.646 678 HE2 LYS 11 HE2 LYS 11 11.007 -8.116 7.084 679 HE3 LYS 11 HE1 LYS 11 12.219 -7.843 8.335 680 HZ1 LYS 11 HZ1 LYS 11 10.377 -8.692 9.446 681 HZ2 LYS 11 HZ2 LYS 11 9.275 -7.751 8.574 682 HZ3 LYS 11 HZ3 LYS 11 10.277 -7.030 9.734 683 H LEU 12 HN LEU 12 11.276 -2.591 5.134 684 HA LEU 12 HA LEU 12 12.479 -0.197 4.463 685 HB2 LEU 12 HB2 LEU 12 10.709 -1.343 3.176 686 HB3 LEU 12 HB1 LEU 12 9.531 -0.808 4.358 687 HG LEU 12 HG LEU 12 10.109 1.553 3.778 688 HD11 LEU 12 HD11 LEU 12 11.288 1.942 1.643 689 HD12 LEU 12 HD12 LEU 12 11.690 0.224 1.578 690 HD13 LEU 12 HD13 LEU 12 12.330 1.233 2.877 691 HD21 LEU 12 HD21 LEU 12 9.127 -0.198 1.532 692 HD22 LEU 12 HD22 LEU 12 8.885 1.544 1.657 693 HD23 LEU 12 HD23 LEU 12 8.153 0.466 2.842 694 HA PRO 13 HA PRO 13 9.359 2.138 7.506 695 HB2 PRO 13 HB2 PRO 13 9.091 0.608 9.843 696 HB3 PRO 13 HB1 PRO 13 7.834 0.875 8.623 697 HG2 PRO 13 HG2 PRO 13 9.642 -1.448 8.984 698 HG3 PRO 13 HG1 PRO 13 7.952 -1.392 8.443 699 HD2 PRO 13 HD2 PRO 13 9.935 -1.785 6.706 700 HD3 PRO 13 HD1 PRO 13 8.518 -0.800 6.280 701 H GLN 14 HN GLN 14 11.781 -0.124 8.792 702 HA GLN 14 HA GLN 14 12.750 1.744 10.735 703 HB2 GLN 14 HB2 GLN 14 14.063 -0.783 9.720 704 HB3 GLN 14 HB1 GLN 14 14.481 0.094 11.185 705 HG2 GLN 14 HG2 GLN 14 12.153 -0.368 12.002 706 HG3 GLN 14 HG1 GLN 14 11.964 -1.445 10.619 707 HE21 GLN 14 HE21 GLN 14 14.842 -2.205 10.809 708 HE22 GLN 14 HE22 GLN 14 14.929 -3.323 12.122 709 H LEU 15 HN LEU 15 13.631 0.808 7.479 710 HA LEU 15 HA LEU 15 16.176 2.029 7.401 711 HB2 LEU 15 HB2 LEU 15 15.287 0.341 5.772 712 HB3 LEU 15 HB1 LEU 15 14.287 1.608 5.087 713 HG LEU 15 HG LEU 15 16.461 2.881 4.653 714 HD11 LEU 15 HD11 LEU 15 17.921 1.624 6.116 715 HD12 LEU 15 HD12 LEU 15 18.468 1.466 4.447 716 HD13 LEU 15 HD13 LEU 15 17.592 0.143 5.217 717 HD21 LEU 15 HD21 LEU 15 15.923 0.284 3.217 718 HD22 LEU 15 HD22 LEU 15 16.908 1.608 2.595 719 HD23 LEU 15 HD23 LEU 15 15.184 1.847 2.873 720 H CYS 16 HN CYS 16 12.930 3.227 6.805 721 HA CYS 16 HA CYS 16 13.557 5.657 5.574 722 HB2 CYS 16 HB2 CYS 16 11.248 5.075 7.446 723 HB3 CYS 16 HB1 CYS 16 11.336 6.400 6.289 724 HG CYS 16 HG CYS 16 11.513 3.162 5.231 725 H THR 17 HN THR 17 13.419 4.761 8.978 726 HA THR 17 HA THR 17 13.692 7.379 10.019 727 HB THR 17 HB THR 17 14.740 5.054 11.549 728 HG1 THR 17 HG1 THR 17 11.954 5.418 11.072 729 HG21 THR 17 HG21 THR 17 13.486 6.104 13.356 730 HG22 THR 17 HG22 THR 17 12.792 7.262 12.223 731 HG23 THR 17 HG23 THR 17 14.522 7.292 12.565 732 H GLU 18 HN GLU 18 16.000 5.029 8.843 733 HA GLU 18 HA GLU 18 18.297 6.130 10.105 734 HB2 GLU 18 HB2 GLU 18 18.093 4.480 7.579 735 HB3 GLU 18 HB1 GLU 18 19.577 4.808 8.461 736 HG2 GLU 18 HG2 GLU 18 17.220 3.191 9.391 737 HG3 GLU 18 HG1 GLU 18 18.844 2.615 9.014 738 H LEU 19 HN LEU 19 16.545 6.892 7.186 739 HA LEU 19 HA LEU 19 18.622 8.822 6.425 740 HB2 LEU 19 HB2 LEU 19 16.293 7.698 4.876 741 HB3 LEU 19 HB1 LEU 19 17.320 8.989 4.284 742 HG LEU 19 HG LEU 19 18.217 6.174 4.919 743 HD11 LEU 19 HD11 LEU 19 18.539 5.981 2.506 744 HD12 LEU 19 HD12 LEU 19 17.875 7.600 2.285 745 HD13 LEU 19 HD13 LEU 19 16.854 6.305 2.907 746 HD21 LEU 19 HD21 LEU 19 19.739 8.557 3.859 747 HD22 LEU 19 HD22 LEU 19 20.334 6.898 3.825 748 HD23 LEU 19 HD23 LEU 19 20.023 7.688 5.368 749 H GLN 20 HN GLN 20 16.273 8.902 8.482 750 HA GLN 20 HA GLN 20 14.832 10.438 9.340 751 HB2 GLN 20 HB2 GLN 20 16.600 12.350 7.797 752 HB3 GLN 20 HB1 GLN 20 15.474 12.808 9.067 753 HG2 GLN 20 HG2 GLN 20 17.702 10.864 9.545 754 HG3 GLN 20 HG1 GLN 20 17.929 12.606 9.686 755 HE21 GLN 20 HE21 GLN 20 16.932 13.711 11.377 756 HE22 GLN 20 HE22 GLN 20 16.263 12.888 12.745 757 H THR 21 HN THR 21 13.613 9.207 7.303 758 HA THR 21 HA THR 21 11.958 11.331 6.206 759 HB THR 21 HB THR 21 13.646 11.012 4.460 760 HG1 THR 21 HG1 THR 21 12.083 11.247 3.052 761 HG21 THR 21 HG21 THR 21 14.308 8.720 4.945 762 HG22 THR 21 HG22 THR 21 13.820 8.880 3.259 763 HG23 THR 21 HG23 THR 21 12.726 8.137 4.425 764 H THR 22 HN THR 22 10.256 10.050 4.672 765 HA THR 22 HA THR 22 9.224 7.844 6.329 766 HB THR 22 HB THR 22 7.277 9.345 4.700 767 HG1 THR 22 HG1 THR 22 8.251 10.580 7.074 768 HG21 THR 22 HG21 THR 22 7.337 8.501 7.602 769 HG22 THR 22 HG22 THR 22 6.602 7.601 6.276 770 HG23 THR 22 HG23 THR 22 5.943 9.167 6.751 771 H ILE 23 HN ILE 23 7.550 6.529 5.028 772 HA ILE 23 HA ILE 23 8.805 5.195 2.945 773 HB ILE 23 HB ILE 23 5.837 5.294 3.502 774 HG12 ILE 23 HG12 ILE 23 7.818 3.258 4.520 775 HG13 ILE 23 HG11 ILE 23 7.396 4.699 5.440 776 HG21 ILE 23 HG21 ILE 23 5.746 3.118 2.437 777 HG22 ILE 23 HG22 ILE 23 7.488 3.161 2.155 778 HG23 ILE 23 HG23 ILE 23 6.430 4.305 1.327 779 HD11 ILE 23 HD11 ILE 23 5.057 3.989 5.454 780 HD12 ILE 23 HD12 ILE 23 6.119 2.791 6.190 781 HD13 ILE 23 HD13 ILE 23 5.501 2.538 4.559 782 H HIS 24 HN HIS 24 6.319 7.727 2.789 783 HA HIS 24 HA HIS 24 6.310 7.642 -0.106 784 HB2 HIS 24 HB2 HIS 24 4.805 9.786 0.355 785 HB3 HIS 24 HB1 HIS 24 4.177 8.156 0.507 786 HD1 HIS 24 HD1 HIS 24 2.904 7.776 2.631 787 HD2 HIS 24 HD2 HIS 24 5.769 10.771 3.009 788 HE1 HIS 24 HE1 HIS 24 2.698 8.671 4.985 789 H ASP 25 HN ASP 25 8.806 8.151 0.519 790 HA ASP 25 HA ASP 25 9.325 10.642 -0.731 791 HB2 ASP 25 HB2 ASP 25 8.857 11.502 1.546 792 HB3 ASP 25 HB1 ASP 25 10.140 10.473 2.181 793 H ILE 26 HN ILE 26 10.564 8.023 1.283 794 HA ILE 26 HA ILE 26 13.228 8.205 0.292 795 HB ILE 26 HB ILE 26 12.721 7.167 2.467 796 HG12 ILE 26 HG12 ILE 26 13.966 5.180 0.564 797 HG13 ILE 26 HG11 ILE 26 14.790 6.607 1.184 798 HG21 ILE 26 HG21 ILE 26 10.632 6.052 1.929 799 HG22 ILE 26 HG22 ILE 26 11.795 4.898 2.584 800 HG23 ILE 26 HG23 ILE 26 11.481 4.947 0.849 801 HD11 ILE 26 HD11 ILE 26 15.414 4.587 2.402 802 HD12 ILE 26 HD12 ILE 26 13.727 4.334 2.850 803 HD13 ILE 26 HD13 ILE 26 14.598 5.746 3.451 804 H ILE 27 HN ILE 27 14.092 7.380 -1.515 805 HA ILE 27 HA ILE 27 12.377 5.662 -3.184 806 HB ILE 27 HB ILE 27 14.508 7.614 -4.074 807 HG12 ILE 27 HG12 ILE 27 12.446 8.691 -3.242 808 HG13 ILE 27 HG11 ILE 27 12.666 8.933 -4.969 809 HG21 ILE 27 HG21 ILE 27 14.389 5.682 -5.544 810 HG22 ILE 27 HG22 ILE 27 13.751 7.118 -6.347 811 HG23 ILE 27 HG23 ILE 27 12.648 5.896 -5.707 812 HD11 ILE 27 HD11 ILE 27 10.352 8.474 -4.493 813 HD12 ILE 27 HD12 ILE 27 10.786 6.982 -3.660 814 HD13 ILE 27 HD13 ILE 27 11.043 7.128 -5.400 815 H LEU 28 HN LEU 28 13.116 3.744 -3.809 816 HA LEU 28 HA LEU 28 15.958 3.117 -3.365 817 HB2 LEU 28 HB2 LEU 28 13.487 1.583 -2.666 818 HB3 LEU 28 HB1 LEU 28 14.941 0.702 -3.090 819 HG LEU 28 HG LEU 28 16.073 2.144 -1.245 820 HD11 LEU 28 HD11 LEU 28 14.207 3.691 -0.929 821 HD12 LEU 28 HD12 LEU 28 14.576 2.813 0.553 822 HD13 LEU 28 HD13 LEU 28 13.181 2.353 -0.419 823 HD21 LEU 28 HD21 LEU 28 15.771 -0.257 -1.089 824 HD22 LEU 28 HD22 LEU 28 14.092 -0.034 -0.593 825 HD23 LEU 28 HD23 LEU 28 15.402 0.504 0.460 826 H GLU 29 HN GLU 29 16.910 1.681 -4.874 827 HA GLU 29 HA GLU 29 15.516 1.642 -7.440 828 HB2 GLU 29 HB2 GLU 29 18.080 0.613 -7.842 829 HB3 GLU 29 HB1 GLU 29 17.522 2.231 -8.232 830 HG2 GLU 29 HG2 GLU 29 18.262 3.011 -6.030 831 HG3 GLU 29 HG1 GLU 29 18.829 1.384 -5.653 832 H CYS 30 HN CYS 30 15.537 -0.285 -8.745 833 HA CYS 30 HA CYS 30 14.820 -2.617 -7.286 834 HB2 CYS 30 HB2 CYS 30 13.708 -2.290 -9.353 835 HB3 CYS 30 HB1 CYS 30 15.218 -2.035 -10.217 836 H VAL 31 HN VAL 31 15.890 -4.576 -7.088 837 HA VAL 31 HA VAL 31 18.693 -4.456 -6.833 838 HB VAL 31 HB VAL 31 17.384 -5.952 -5.448 839 HG11 VAL 31 HG11 VAL 31 16.380 -8.002 -6.345 840 HG12 VAL 31 HG12 VAL 31 16.790 -7.477 -7.979 841 HG13 VAL 31 HG13 VAL 31 15.635 -6.552 -7.019 842 HG21 VAL 31 HG21 VAL 31 18.748 -7.960 -5.597 843 HG22 VAL 31 HG22 VAL 31 19.730 -6.518 -5.864 844 HG23 VAL 31 HG23 VAL 31 19.244 -7.520 -7.234 845 H TYR 32 HN TYR 32 16.623 -5.510 -9.463 846 HA TYR 32 HA TYR 32 18.984 -6.503 -10.907 847 HB2 TYR 32 HB2 TYR 32 16.033 -6.902 -11.420 848 HB3 TYR 32 HB1 TYR 32 17.300 -7.473 -12.500 849 HD1 TYR 32 HD2 TYR 32 19.281 -8.684 -10.888 850 HD2 TYR 32 HD1 TYR 32 15.074 -8.637 -10.256 851 HE1 TYR 32 HE2 TYR 32 19.460 -10.754 -9.579 852 HE2 TYR 32 HE1 TYR 32 15.246 -10.707 -8.943 853 HH TYR 32 HH TYR 32 17.773 -11.799 -7.568 854 H CYS 33 HN CYS 33 15.974 -4.917 -11.960 855 HA CYS 33 HA CYS 33 17.139 -3.708 -14.218 856 HB2 CYS 33 HB2 CYS 33 14.656 -2.785 -12.766 857 HB3 CYS 33 HB1 CYS 33 15.044 -2.561 -14.468 858 H LYS 34 HN LYS 34 16.884 -2.741 -10.912 859 HA LYS 34 HA LYS 34 17.719 -1.025 -9.714 860 HB2 LYS 34 HB2 LYS 34 19.409 -0.733 -12.191 861 HB3 LYS 34 HB1 LYS 34 19.614 0.307 -10.784 862 HG2 LYS 34 HG2 LYS 34 20.291 -1.473 -9.422 863 HG3 LYS 34 HG1 LYS 34 19.670 -2.680 -10.546 864 HD2 LYS 34 HD2 LYS 34 21.410 -1.852 -12.186 865 HD3 LYS 34 HD1 LYS 34 22.111 -0.948 -10.841 866 HE2 LYS 34 HE2 LYS 34 23.265 -3.055 -11.067 867 HE3 LYS 34 HE1 LYS 34 22.320 -3.067 -9.580 868 HZ1 LYS 34 HZ1 LYS 34 20.575 -4.117 -11.305 869 HZ2 LYS 34 HZ2 LYS 34 21.635 -5.044 -10.368 870 HZ3 LYS 34 HZ3 LYS 34 22.025 -4.675 -11.969 871 H GLN 35 HN GLN 35 15.357 -0.690 -11.356 872 HA GLN 35 HA GLN 35 15.395 2.043 -12.257 873 HB2 GLN 35 HB2 GLN 35 13.066 1.746 -12.787 874 HB3 GLN 35 HB1 GLN 35 13.934 0.316 -13.320 875 HG2 GLN 35 HG2 GLN 35 13.091 -0.975 -11.518 876 HG3 GLN 35 HG1 GLN 35 12.452 0.453 -10.705 877 HE21 GLN 35 HE21 GLN 35 11.476 1.558 -13.274 878 HE22 GLN 35 HE22 GLN 35 10.046 0.661 -13.639 879 H GLN 36 HN GLN 36 14.219 3.765 -11.284 880 HA GLN 36 HA GLN 36 14.360 3.712 -8.413 881 HB2 GLN 36 HB2 GLN 36 13.346 5.885 -10.258 882 HB3 GLN 36 HB1 GLN 36 13.723 6.071 -8.550 883 HG2 GLN 36 HG2 GLN 36 16.062 5.600 -8.991 884 HG3 GLN 36 HG1 GLN 36 15.703 5.331 -10.693 885 HE21 GLN 36 HE21 GLN 36 13.780 7.548 -10.772 886 HE22 GLN 36 HE22 GLN 36 14.725 8.994 -10.777 887 H LEU 37 HN LEU 37 12.819 2.572 -7.413 888 HA LEU 37 HA LEU 37 10.201 2.166 -8.345 889 HB2 LEU 37 HB2 LEU 37 11.589 1.766 -5.737 890 HB3 LEU 37 HB1 LEU 37 9.838 1.700 -5.761 891 HG LEU 37 HG LEU 37 10.144 -0.032 -7.660 892 HD11 LEU 37 HD11 LEU 37 12.217 -1.335 -7.478 893 HD12 LEU 37 HD12 LEU 37 12.873 -0.114 -6.384 894 HD13 LEU 37 HD13 LEU 37 12.503 0.305 -8.059 895 HD21 LEU 37 HD21 LEU 37 10.554 -1.829 -5.907 896 HD22 LEU 37 HD22 LEU 37 9.202 -0.733 -5.630 897 HD23 LEU 37 HD23 LEU 37 10.715 -0.505 -4.752 898 H LEU 38 HN LEU 38 8.522 3.467 -8.407 899 HA LEU 38 HA LEU 38 8.590 6.081 -7.273 900 HB2 LEU 38 HB2 LEU 38 6.365 4.555 -8.629 901 HB3 LEU 38 HB1 LEU 38 6.274 6.246 -8.176 902 HG LEU 38 HG LEU 38 8.388 5.210 -10.055 903 HD11 LEU 38 HD11 LEU 38 6.973 5.994 -11.889 904 HD12 LEU 38 HD12 LEU 38 5.671 6.315 -10.743 905 HD13 LEU 38 HD13 LEU 38 6.225 4.662 -11.008 906 HD21 LEU 38 HD21 LEU 38 7.263 7.945 -9.473 907 HD22 LEU 38 HD22 LEU 38 8.404 7.585 -10.769 908 HD23 LEU 38 HD23 LEU 38 8.880 7.357 -9.084 909 H ARG 39 HN ARG 39 6.660 6.910 -5.995 910 HA ARG 39 HA ARG 39 6.630 5.769 -3.478 911 HB2 ARG 39 HB2 ARG 39 4.741 7.258 -2.965 912 HB3 ARG 39 HB1 ARG 39 6.018 8.091 -3.835 913 HG2 ARG 39 HG2 ARG 39 4.750 8.085 -5.857 914 HG3 ARG 39 HG1 ARG 39 3.542 7.006 -5.159 915 HD2 ARG 39 HD2 ARG 39 4.111 9.675 -3.923 916 HD3 ARG 39 HD1 ARG 39 3.030 9.538 -5.307 917 HE ARG 39 HE ARG 39 2.396 7.744 -3.141 918 HH11 ARG 39 HH11 ARG 39 1.917 10.970 -4.422 919 HH12 ARG 39 HH12 ARG 39 0.393 11.191 -3.621 920 HH21 ARG 39 HH21 ARG 39 0.391 8.042 -2.087 921 HH22 ARG 39 HH22 ARG 39 -0.472 9.532 -2.301 922 H ARG 40 HN ARG 40 4.594 5.033 -6.215 923 HA ARG 40 HA ARG 40 2.540 3.716 -4.767 924 HB2 ARG 40 HB2 ARG 40 2.421 4.543 -7.172 925 HB3 ARG 40 HB1 ARG 40 3.348 3.115 -7.613 926 HG2 ARG 40 HG2 ARG 40 1.421 1.912 -6.243 927 HG3 ARG 40 HG1 ARG 40 0.532 3.355 -6.726 928 HD2 ARG 40 HD2 ARG 40 0.162 1.671 -8.382 929 HD3 ARG 40 HD1 ARG 40 1.215 2.900 -9.081 930 HE ARG 40 HE ARG 40 3.094 1.375 -8.691 931 HH11 ARG 40 HH11 ARG 40 -0.141 0.023 -8.653 932 HH12 ARG 40 HH12 ARG 40 0.385 -1.580 -9.047 933 HH21 ARG 40 HH21 ARG 40 3.798 -0.732 -9.186 934 HH22 ARG 40 HH22 ARG 40 2.629 -2.016 -9.330 935 H GLU 41 HN GLU 41 5.440 2.558 -6.455 936 HA GLU 41 HA GLU 41 5.036 -0.179 -5.886 937 HB2 GLU 41 HB2 GLU 41 7.820 0.834 -6.156 938 HB3 GLU 41 HB1 GLU 41 7.062 -0.566 -6.895 939 HG2 GLU 41 HG2 GLU 41 6.772 2.310 -7.731 940 HG3 GLU 41 HG1 GLU 41 7.631 1.034 -8.588 941 H VAL 42 HN VAL 42 6.838 2.377 -4.241 942 HA VAL 42 HA VAL 42 8.023 0.781 -2.249 943 HB VAL 42 HB VAL 42 7.222 3.691 -2.005 944 HG11 VAL 42 HG11 VAL 42 7.851 2.634 0.115 945 HG12 VAL 42 HG12 VAL 42 9.038 3.836 -0.391 946 HG13 VAL 42 HG13 VAL 42 9.379 2.119 -0.599 947 HG21 VAL 42 HG21 VAL 42 9.496 4.194 -2.794 948 HG22 VAL 42 HG22 VAL 42 8.547 3.350 -4.016 949 HG23 VAL 42 HG23 VAL 42 9.764 2.477 -3.085 950 H TYR 43 HN TYR 43 4.903 2.415 -2.433 951 HA TYR 43 HA TYR 43 4.103 1.932 0.240 952 HB2 TYR 43 HB2 TYR 43 2.979 3.116 -2.116 953 HB3 TYR 43 HB1 TYR 43 1.808 2.002 -1.419 954 HD1 TYR 43 HD2 TYR 43 1.032 2.346 0.924 955 HD2 TYR 43 HD1 TYR 43 3.498 5.184 -1.067 956 HE1 TYR 43 HE2 TYR 43 0.410 4.048 2.588 957 HE2 TYR 43 HE1 TYR 43 2.876 6.885 0.590 958 HH TYR 43 HH TYR 43 0.458 6.976 2.309 959 H ASP 44 HN ASP 44 3.710 0.140 -2.777 960 HA ASP 44 HA ASP 44 1.965 -1.853 -1.821 961 HB2 ASP 44 HB2 ASP 44 3.410 -1.311 -4.224 962 HB3 ASP 44 HB1 ASP 44 3.740 -2.977 -3.761 963 H PHE 45 HN PHE 45 5.443 -1.490 -1.771 964 HA PHE 45 HA PHE 45 6.088 -4.075 -0.808 965 HB2 PHE 45 HB2 PHE 45 7.604 -2.272 -1.884 966 HB3 PHE 45 HB1 PHE 45 7.706 -1.593 -0.266 967 HD1 PHE 45 HD2 PHE 45 8.640 -4.389 -2.421 968 HD2 PHE 45 HD1 PHE 45 8.939 -2.717 1.481 969 HE1 PHE 45 HE2 PHE 45 10.486 -5.934 -1.906 970 HE2 PHE 45 HE1 PHE 45 10.788 -4.254 2.003 971 HZ PHE 45 HZ PHE 45 11.563 -5.868 0.310 972 H ALA 46 HN ALA 46 5.581 -0.951 0.792 973 HA ALA 46 HA ALA 46 6.097 -1.906 3.428 974 HB1 ALA 46 HB1 ALA 46 6.234 0.491 2.562 975 HB2 ALA 46 HB2 ALA 46 5.541 0.244 4.162 976 HB3 ALA 46 HB3 ALA 46 4.486 0.541 2.783 977 H PHE 47 HN PHE 47 3.386 -2.154 1.391 978 HA PHE 47 HA PHE 47 1.311 -2.104 3.309 979 HB2 PHE 47 HB2 PHE 47 1.050 -1.884 0.811 980 HB3 PHE 47 HB1 PHE 47 1.321 -3.620 0.697 981 HD1 PHE 47 HD1 PHE 47 -0.853 -1.169 2.474 982 HD2 PHE 47 HD2 PHE 47 -0.502 -5.017 0.691 983 HE1 PHE 47 HE1 PHE 47 -3.251 -1.559 2.856 984 HE2 PHE 47 HE2 PHE 47 -2.901 -5.417 1.069 985 HZ PHE 47 HZ PHE 47 -4.281 -3.685 2.153 986 H ARG 48 HN ARG 48 3.699 -4.444 2.581 987 HA ARG 48 HA ARG 48 2.378 -6.345 4.382 988 HB2 ARG 48 HB2 ARG 48 3.560 -6.924 1.674 989 HB3 ARG 48 HB1 ARG 48 3.445 -8.175 2.904 990 HG2 ARG 48 HG2 ARG 48 1.207 -8.372 2.693 991 HG3 ARG 48 HG1 ARG 48 0.977 -6.656 2.352 992 HD2 ARG 48 HD2 ARG 48 2.105 -8.684 0.428 993 HD3 ARG 48 HD1 ARG 48 0.450 -8.075 0.415 994 HE ARG 48 HE ARG 48 2.539 -6.072 0.229 995 HH11 ARG 48 HH11 ARG 48 0.322 -8.141 -1.535 996 HH12 ARG 48 HH12 ARG 48 0.297 -7.115 -2.937 997 HH21 ARG 48 HH21 ARG 48 2.532 -4.759 -1.606 998 HH22 ARG 48 HH22 ARG 48 1.557 -5.183 -2.984 999 H ASP 49 HN ASP 49 4.106 -8.133 4.960 1000 HA ASP 49 HA ASP 49 6.445 -6.647 5.876 1001 HB2 ASP 49 HB2 ASP 49 5.140 -7.981 7.516 1002 HB3 ASP 49 HB1 ASP 49 5.550 -9.442 6.624 1003 H LEU 50 HN LEU 50 7.571 -6.519 3.942 1004 HA LEU 50 HA LEU 50 8.636 -9.067 2.931 1005 HB2 LEU 50 HB2 LEU 50 8.302 -6.405 1.545 1006 HB3 LEU 50 HB1 LEU 50 9.158 -7.771 0.854 1007 HG LEU 50 HG LEU 50 6.352 -8.218 1.738 1008 HD11 LEU 50 HD11 LEU 50 6.149 -6.102 0.593 1009 HD12 LEU 50 HD12 LEU 50 5.508 -7.395 -0.424 1010 HD13 LEU 50 HD13 LEU 50 7.099 -6.712 -0.761 1011 HD21 LEU 50 HD21 LEU 50 7.916 -9.126 -0.675 1012 HD22 LEU 50 HD22 LEU 50 6.334 -9.714 -0.162 1013 HD23 LEU 50 HD23 LEU 50 7.757 -10.029 0.833 1014 H CYS 51 HN CYS 51 10.851 -9.238 2.552 1015 HA CYS 51 HA CYS 51 12.467 -7.493 4.214 1016 HB2 CYS 51 HB2 CYS 51 14.213 -9.329 3.283 1017 HB3 CYS 51 HB1 CYS 51 13.193 -9.592 4.695 1018 HG CYS 51 HG CYS 51 12.006 -11.669 3.783 1019 H ILE 52 HN ILE 52 14.109 -6.224 3.498 1020 HA ILE 52 HA ILE 52 14.035 -5.437 0.728 1021 HB ILE 52 HB ILE 52 15.738 -4.487 3.040 1022 HG12 ILE 52 HG12 ILE 52 13.347 -3.250 1.662 1023 HG13 ILE 52 HG11 ILE 52 13.357 -3.968 3.270 1024 HG21 ILE 52 HG21 ILE 52 16.978 -4.064 1.047 1025 HG22 ILE 52 HG22 ILE 52 16.257 -2.542 1.569 1026 HG23 ILE 52 HG23 ILE 52 15.549 -3.436 0.225 1027 HD11 ILE 52 HD11 ILE 52 14.972 -2.229 3.972 1028 HD12 ILE 52 HD12 ILE 52 13.413 -1.588 3.460 1029 HD13 ILE 52 HD13 ILE 52 14.802 -1.486 2.383 1030 H VAL 53 HN VAL 53 15.530 -5.878 -0.829 1031 HA VAL 53 HA VAL 53 17.481 -7.942 -0.188 1032 HB VAL 53 HB VAL 53 17.846 -7.913 -2.726 1033 HG11 VAL 53 HG11 VAL 53 16.602 -9.651 -1.543 1034 HG12 VAL 53 HG12 VAL 53 15.881 -9.305 -3.116 1035 HG13 VAL 53 HG13 VAL 53 15.138 -8.676 -1.643 1036 HG21 VAL 53 HG21 VAL 53 16.830 -5.740 -3.189 1037 HG22 VAL 53 HG22 VAL 53 15.272 -6.334 -2.608 1038 HG23 VAL 53 HG23 VAL 53 15.996 -7.025 -4.063 1039 H TYR 54 HN TYR 54 19.550 -7.520 0.119 1040 HA TYR 54 HA TYR 54 20.515 -4.823 -0.497 1041 HB2 TYR 54 HB2 TYR 54 21.222 -6.881 1.534 1042 HB3 TYR 54 HB1 TYR 54 22.511 -5.822 0.972 1043 HD1 TYR 54 HD2 TYR 54 18.896 -5.308 1.849 1044 HD2 TYR 54 HD1 TYR 54 22.938 -4.137 2.474 1045 HE1 TYR 54 HE2 TYR 54 18.144 -3.567 3.414 1046 HE2 TYR 54 HE1 TYR 54 22.198 -2.393 4.039 1047 HH TYR 54 HH TYR 54 18.943 -2.214 5.196 1048 H ARG 55 HN ARG 55 21.498 -4.632 -2.379 1049 HA ARG 55 HA ARG 55 22.990 -6.912 -3.469 1050 HB2 ARG 55 HB2 ARG 55 21.244 -5.271 -4.721 1051 HB3 ARG 55 HB1 ARG 55 22.729 -4.383 -5.012 1052 HG2 ARG 55 HG2 ARG 55 22.306 -7.277 -5.742 1053 HG3 ARG 55 HG1 ARG 55 22.095 -5.921 -6.849 1054 HD2 ARG 55 HD2 ARG 55 24.244 -6.319 -7.380 1055 HD3 ARG 55 HD1 ARG 55 24.592 -5.429 -5.897 1056 HE ARG 55 HE ARG 55 24.190 -8.213 -5.407 1057 HH11 ARG 55 HH11 ARG 55 26.575 -5.918 -6.572 1058 HH12 ARG 55 HH12 ARG 55 27.925 -6.889 -6.065 1059 HH21 ARG 55 HH21 ARG 55 25.947 -9.471 -4.754 1060 HH22 ARG 55 HH22 ARG 55 27.566 -8.913 -5.037 1061 H ASP 56 HN ASP 56 25.024 -6.982 -2.796 1062 HA ASP 56 HA ASP 56 27.222 -6.430 -2.595 1063 HB2 ASP 56 HB2 ASP 56 27.141 -5.116 -4.597 1064 HB3 ASP 56 HB1 ASP 56 26.332 -3.792 -3.766 1065 H GLY 57 HN GLY 57 24.915 -4.050 -1.434 1066 HA2 GLY 57 HA2 GLY 57 25.459 -4.226 1.232 1067 HA3 GLY 57 HA1 GLY 57 26.629 -3.053 0.641 1068 H ASN 58 HN ASN 58 24.531 -2.366 -1.473 1069 HA ASN 58 HA ASN 58 23.277 -0.268 0.078 1070 HB2 ASN 58 HB2 ASN 58 24.045 -0.663 -2.670 1071 HB3 ASN 58 HB1 ASN 58 22.348 -0.203 -2.592 1072 HD21 ASN 58 HD21 ASN 58 24.523 1.294 -3.673 1073 HD22 ASN 58 HD22 ASN 58 24.623 2.767 -2.777 1074 HA PRO 59 HA PRO 59 19.418 -2.417 0.454 1075 HB2 PRO 59 HB2 PRO 59 17.813 -0.308 1.059 1076 HB3 PRO 59 HB1 PRO 59 18.976 -0.985 2.214 1077 HG2 PRO 59 HG2 PRO 59 19.199 1.456 0.532 1078 HG3 PRO 59 HG1 PRO 59 19.716 1.181 2.208 1079 HD2 PRO 59 HD2 PRO 59 21.425 1.128 0.078 1080 HD3 PRO 59 HD1 PRO 59 21.691 0.228 1.583 1081 H TYR 60 HN TYR 60 18.623 -3.193 -1.414 1082 HA TYR 60 HA TYR 60 17.529 -1.287 -3.361 1083 HB2 TYR 60 HB2 TYR 60 18.707 -4.038 -3.653 1084 HB3 TYR 60 HB1 TYR 60 17.603 -3.408 -4.873 1085 HD1 TYR 60 HD1 TYR 60 20.877 -2.910 -3.246 1086 HD2 TYR 60 HD2 TYR 60 18.289 -1.700 -6.395 1087 HE1 TYR 60 HE1 TYR 60 22.721 -1.650 -4.274 1088 HE2 TYR 60 HE2 TYR 60 20.127 -0.444 -7.430 1089 HH TYR 60 HH TYR 60 22.251 0.675 -6.588 1090 H ALA 61 HN ALA 61 15.498 -1.780 -4.338 1091 HA ALA 61 HA ALA 61 13.784 -3.319 -2.504 1092 HB1 ALA 61 HB1 ALA 61 13.050 -1.043 -4.338 1093 HB2 ALA 61 HB2 ALA 61 13.229 -0.960 -2.584 1094 HB3 ALA 61 HB3 ALA 61 11.932 -1.923 -3.297 1095 H VAL 62 HN VAL 62 11.843 -4.281 -3.518 1096 HA VAL 62 HA VAL 62 12.590 -5.592 -6.032 1097 HB VAL 62 HB VAL 62 10.400 -6.459 -4.142 1098 HG11 VAL 62 HG11 VAL 62 10.643 -8.611 -5.234 1099 HG12 VAL 62 HG12 VAL 62 11.968 -7.986 -6.218 1100 HG13 VAL 62 HG13 VAL 62 10.336 -7.354 -6.432 1101 HG21 VAL 62 HG21 VAL 62 13.275 -7.377 -4.152 1102 HG22 VAL 62 HG22 VAL 62 11.974 -8.063 -3.181 1103 HG23 VAL 62 HG23 VAL 62 12.505 -6.407 -2.898 1104 H CYS 63 HN CYS 63 11.707 -4.673 -7.753 1105 HA CYS 63 HA CYS 63 9.413 -2.976 -7.589 1106 HB2 CYS 63 HB2 CYS 63 9.710 -2.827 -10.069 1107 HB3 CYS 63 HB1 CYS 63 11.155 -2.418 -9.147 1108 H ASP 64 HN ASP 64 7.750 -3.264 -9.428 1109 HA ASP 64 HA ASP 64 6.066 -5.393 -8.818 1110 HB2 ASP 64 HB2 ASP 64 5.008 -3.533 -9.744 1111 HB3 ASP 64 HB1 ASP 64 6.190 -3.379 -11.036 1112 H LYS 65 HN LYS 65 8.519 -5.053 -11.280 1113 HA LYS 65 HA LYS 65 7.798 -7.300 -12.859 1114 HB2 LYS 65 HB2 LYS 65 10.543 -6.069 -12.607 1115 HB3 LYS 65 HB1 LYS 65 9.897 -6.972 -13.968 1116 HG2 LYS 65 HG2 LYS 65 8.539 -5.205 -14.653 1117 HG3 LYS 65 HG1 LYS 65 8.643 -4.395 -13.089 1118 HD2 LYS 65 HD2 LYS 65 10.016 -3.161 -14.588 1119 HD3 LYS 65 HD1 LYS 65 11.108 -4.082 -13.550 1120 HE2 LYS 65 HE2 LYS 65 11.965 -4.325 -15.729 1121 HE3 LYS 65 HE1 LYS 65 11.128 -5.837 -15.387 1122 HZ1 LYS 65 HZ1 LYS 65 9.206 -4.957 -16.618 1123 HZ2 LYS 65 HZ2 LYS 65 10.585 -5.101 -17.585 1124 HZ3 LYS 65 HZ3 LYS 65 10.106 -3.582 -17.020 1125 H CYS 66 HN CYS 66 10.425 -6.812 -10.496 1126 HA CYS 66 HA CYS 66 11.240 -9.527 -10.519 1127 HB2 CYS 66 HB2 CYS 66 11.795 -7.428 -8.425 1128 HB3 CYS 66 HB1 CYS 66 12.726 -8.896 -8.721 1129 H LEU 67 HN LEU 67 8.814 -7.809 -8.721 1130 HA LEU 67 HA LEU 67 8.612 -9.403 -6.452 1131 HB2 LEU 67 HB2 LEU 67 6.811 -7.596 -7.932 1132 HB3 LEU 67 HB1 LEU 67 6.022 -8.759 -6.885 1133 HG LEU 67 HG LEU 67 8.167 -6.847 -5.951 1134 HD11 LEU 67 HD11 LEU 67 6.308 -5.606 -4.893 1135 HD12 LEU 67 HD12 LEU 67 5.162 -6.644 -5.745 1136 HD13 LEU 67 HD13 LEU 67 6.230 -5.575 -6.656 1137 HD21 LEU 67 HD21 LEU 67 7.263 -7.449 -3.711 1138 HD22 LEU 67 HD22 LEU 67 8.015 -8.804 -4.555 1139 HD23 LEU 67 HD23 LEU 67 6.258 -8.670 -4.491 1140 H LYS 68 HN LYS 68 7.019 -9.810 -9.592 1141 HA LYS 68 HA LYS 68 5.713 -12.230 -8.724 1142 HB2 LYS 68 HB2 LYS 68 5.096 -12.293 -11.269 1143 HB3 LYS 68 HB1 LYS 68 4.344 -11.125 -10.202 1144 HG2 LYS 68 HG2 LYS 68 6.372 -9.620 -11.016 1145 HG3 LYS 68 HG1 LYS 68 6.290 -10.705 -12.396 1146 HD2 LYS 68 HD2 LYS 68 4.955 -8.664 -12.719 1147 HD3 LYS 68 HD1 LYS 68 3.959 -10.122 -12.756 1148 HE2 LYS 68 HE2 LYS 68 3.101 -9.705 -10.612 1149 HE3 LYS 68 HE1 LYS 68 4.341 -8.506 -10.254 1150 HZ1 LYS 68 HZ1 LYS 68 1.881 -7.913 -11.026 1151 HZ2 LYS 68 HZ2 LYS 68 2.640 -7.938 -12.533 1152 HZ3 LYS 68 HZ3 LYS 68 3.206 -6.900 -11.315 1153 H PHE 69 HN PHE 69 8.691 -11.416 -10.296 1154 HA PHE 69 HA PHE 69 9.061 -14.013 -11.441 1155 HB2 PHE 69 HB2 PHE 69 10.654 -11.527 -11.308 1156 HB3 PHE 69 HB1 PHE 69 11.545 -13.031 -11.526 1157 HD1 PHE 69 HD1 PHE 69 8.563 -11.253 -12.860 1158 HD2 PHE 69 HD2 PHE 69 11.852 -13.823 -13.678 1159 HE1 PHE 69 HE1 PHE 69 7.979 -11.227 -15.249 1160 HE2 PHE 69 HE2 PHE 69 11.274 -13.802 -16.067 1161 HZ PHE 69 HZ PHE 69 9.336 -12.506 -16.856 1162 H TYR 70 HN TYR 70 10.303 -12.349 -8.580 1163 HA TYR 70 HA TYR 70 11.301 -14.948 -7.621 1164 HB2 TYR 70 HB2 TYR 70 12.457 -12.185 -7.274 1165 HB3 TYR 70 HB1 TYR 70 12.960 -13.557 -6.291 1166 HD1 TYR 70 HD1 TYR 70 14.251 -15.371 -7.259 1167 HD2 TYR 70 HD2 TYR 70 13.049 -12.040 -9.611 1168 HE1 TYR 70 HE1 TYR 70 15.863 -16.028 -8.994 1169 HE2 TYR 70 HE2 TYR 70 14.656 -12.684 -11.357 1170 HH TYR 70 HH TYR 70 16.188 -15.706 -11.428 Start of MODEL 11 1 H MET 1 HT1 MET 1 -21.234 -8.542 -2.805 2 HA MET 1 HA MET 1 -23.334 -7.357 -2.782 3 HB2 MET 1 HB2 MET 1 -25.388 -8.405 -3.152 4 HB3 MET 1 HB1 MET 1 -24.362 -9.134 -4.376 5 HG2 MET 1 HG2 MET 1 -25.093 -11.092 -3.628 6 HG3 MET 1 HG1 MET 1 -24.059 -10.821 -2.225 7 HE1 MET 1 HE1 MET 1 -27.158 -12.255 -0.439 8 HE2 MET 1 HE2 MET 1 -25.396 -12.198 -0.460 9 HE3 MET 1 HE3 MET 1 -26.275 -12.794 -1.867 10 H PHE 2 HN PHE 2 -24.701 -7.358 -0.815 11 HA PHE 2 HA PHE 2 -23.909 -9.259 1.238 12 HB2 PHE 2 HB2 PHE 2 -23.115 -6.393 1.201 13 HB3 PHE 2 HB1 PHE 2 -23.669 -7.046 2.739 14 HD1 PHE 2 HD2 PHE 2 -22.589 -9.449 3.278 15 HD2 PHE 2 HD1 PHE 2 -20.868 -6.446 0.803 16 HE1 PHE 2 HE2 PHE 2 -20.362 -10.411 3.670 17 HE2 PHE 2 HE1 PHE 2 -18.637 -7.403 1.190 18 HZ PHE 2 HZ PHE 2 -18.381 -9.388 2.625 19 H GLN 3 HN GLN 3 -25.527 -9.724 2.572 20 HA GLN 3 HA GLN 3 -28.081 -8.472 2.089 21 HB2 GLN 3 HB2 GLN 3 -27.187 -10.746 3.850 22 HB3 GLN 3 HB1 GLN 3 -28.834 -10.131 3.884 23 HG2 GLN 3 HG2 GLN 3 -28.272 -10.552 1.187 24 HG3 GLN 3 HG1 GLN 3 -27.588 -11.941 2.029 25 HE21 GLN 3 HE21 GLN 3 -30.500 -10.130 1.390 26 HE22 GLN 3 HE22 GLN 3 -31.611 -11.372 1.852 27 H ASP 4 HN ASP 4 -29.481 -7.848 3.913 28 HA ASP 4 HA ASP 4 -27.999 -6.138 5.777 29 HB2 ASP 4 HB2 ASP 4 -30.425 -5.856 4.239 30 HB3 ASP 4 HB1 ASP 4 -30.780 -5.634 5.950 31 HA PRO 5 HA PRO 5 -29.510 -4.857 7.424 32 HB2 PRO 5 HB2 PRO 5 -29.379 -4.413 10.059 33 HB3 PRO 5 HB1 PRO 5 -30.893 -4.907 9.281 34 HG2 PRO 5 HG2 PRO 5 -29.000 -6.513 10.901 35 HG3 PRO 5 HG1 PRO 5 -30.771 -6.573 10.831 36 HD2 PRO 5 HD2 PRO 5 -29.051 -8.311 9.507 37 HD3 PRO 5 HD1 PRO 5 -30.761 -8.055 9.116 38 H GLN 6 HN GLN 6 -27.202 -7.109 8.756 39 HA GLN 6 HA GLN 6 -25.073 -5.282 8.115 40 HB2 GLN 6 HB2 GLN 6 -25.938 -5.605 10.884 41 HB3 GLN 6 HB1 GLN 6 -24.232 -5.971 10.656 42 HG2 GLN 6 HG2 GLN 6 -25.625 -3.419 9.870 43 HG3 GLN 6 HG1 GLN 6 -24.541 -3.641 11.242 44 HE21 GLN 6 HE21 GLN 6 -22.356 -3.717 10.916 45 HE22 GLN 6 HE22 GLN 6 -21.611 -3.361 9.398 46 H GLU 7 HN GLU 7 -25.039 -7.245 6.671 47 HA GLU 7 HA GLU 7 -23.816 -9.596 7.862 48 HB2 GLU 7 HB2 GLU 7 -25.473 -9.838 6.045 49 HB3 GLU 7 HB1 GLU 7 -24.416 -8.935 4.971 50 HG2 GLU 7 HG2 GLU 7 -22.762 -10.677 5.057 51 HG3 GLU 7 HG1 GLU 7 -23.709 -11.560 6.249 52 H ARG 8 HN ARG 8 -22.874 -6.632 6.601 53 HA ARG 8 HA ARG 8 -20.166 -7.570 5.949 54 HB2 ARG 8 HB2 ARG 8 -19.906 -5.426 4.749 55 HB3 ARG 8 HB1 ARG 8 -21.242 -6.379 4.119 56 HG2 ARG 8 HG2 ARG 8 -21.852 -4.361 6.209 57 HG3 ARG 8 HG1 ARG 8 -21.458 -3.782 4.591 58 HD2 ARG 8 HD2 ARG 8 -23.332 -4.714 3.654 59 HD3 ARG 8 HD1 ARG 8 -23.433 -5.989 4.866 60 HE ARG 8 HE ARG 8 -23.972 -3.770 6.305 61 HH11 ARG 8 HH11 ARG 8 -25.256 -4.992 3.277 62 HH12 ARG 8 HH12 ARG 8 -26.839 -4.327 3.539 63 HH21 ARG 8 HH21 ARG 8 -26.071 -2.894 6.626 64 HH22 ARG 8 HH22 ARG 8 -27.295 -3.141 5.414 65 HA PRO 9 HA PRO 9 -18.718 -5.462 9.583 66 HB2 PRO 9 HB2 PRO 9 -16.078 -5.377 9.014 67 HB3 PRO 9 HB1 PRO 9 -16.899 -6.900 9.409 68 HG2 PRO 9 HG2 PRO 9 -16.113 -5.822 6.749 69 HG3 PRO 9 HG1 PRO 9 -16.013 -7.481 7.372 70 HD2 PRO 9 HD2 PRO 9 -18.005 -6.605 5.715 71 HD3 PRO 9 HD1 PRO 9 -18.194 -7.941 6.867 72 H ARG 10 HN ARG 10 -17.066 -3.572 10.058 73 HA ARG 10 HA ARG 10 -17.739 -1.403 8.182 74 HB2 ARG 10 HB2 ARG 10 -17.432 -1.530 11.145 75 HB3 ARG 10 HB1 ARG 10 -17.068 -0.017 10.331 76 HG2 ARG 10 HG2 ARG 10 -19.663 -1.438 9.867 77 HG3 ARG 10 HG1 ARG 10 -19.431 -0.369 11.250 78 HD2 ARG 10 HD2 ARG 10 -18.710 1.409 9.629 79 HD3 ARG 10 HD1 ARG 10 -19.220 0.333 8.329 80 HE ARG 10 HE ARG 10 -21.453 0.427 9.745 81 HH11 ARG 10 HH11 ARG 10 -19.278 3.028 8.864 82 HH12 ARG 10 HH12 ARG 10 -20.512 4.244 8.889 83 HH21 ARG 10 HH21 ARG 10 -23.093 2.014 9.739 84 HH22 ARG 10 HH22 ARG 10 -22.694 3.664 9.367 85 H LYS 11 HN LYS 11 -15.242 -3.338 8.622 86 HA LYS 11 HA LYS 11 -13.251 -1.184 8.312 87 HB2 LYS 11 HB2 LYS 11 -12.959 -3.892 9.615 88 HB3 LYS 11 HB1 LYS 11 -11.589 -2.871 9.194 89 HG2 LYS 11 HG2 LYS 11 -12.006 -1.381 10.852 90 HG3 LYS 11 HG1 LYS 11 -13.749 -1.650 10.809 91 HD2 LYS 11 HD2 LYS 11 -13.095 -4.020 11.713 92 HD3 LYS 11 HD1 LYS 11 -11.621 -3.190 12.223 93 HE2 LYS 11 HE2 LYS 11 -12.930 -1.576 13.470 94 HE3 LYS 11 HE1 LYS 11 -14.424 -2.313 12.897 95 HZ1 LYS 11 HZ1 LYS 11 -12.428 -3.478 14.746 96 HZ2 LYS 11 HZ2 LYS 11 -13.658 -4.393 14.031 97 HZ3 LYS 11 HZ3 LYS 11 -14.048 -3.112 15.064 98 H LEU 12 HN LEU 12 -11.849 -1.290 6.633 99 HA LEU 12 HA LEU 12 -12.571 -2.659 4.323 100 HB2 LEU 12 HB2 LEU 12 -11.235 -0.570 4.430 101 HB3 LEU 12 HB1 LEU 12 -9.856 -1.520 4.948 102 HG LEU 12 HG LEU 12 -9.972 -2.775 2.797 103 HD11 LEU 12 HD11 LEU 12 -12.292 -2.441 2.235 104 HD12 LEU 12 HD12 LEU 12 -11.277 -1.768 0.960 105 HD13 LEU 12 HD13 LEU 12 -12.050 -0.698 2.127 106 HD21 LEU 12 HD21 LEU 12 -9.634 0.217 2.641 107 HD22 LEU 12 HD22 LEU 12 -9.085 -0.926 1.412 108 HD23 LEU 12 HD23 LEU 12 -8.393 -0.973 3.034 109 HA PRO 13 HA PRO 13 -8.775 -5.693 5.098 110 HB2 PRO 13 HB2 PRO 13 -8.461 -6.176 7.833 111 HB3 PRO 13 HB1 PRO 13 -7.379 -5.186 6.839 112 HG2 PRO 13 HG2 PRO 13 -9.582 -4.342 8.644 113 HG3 PRO 13 HG1 PRO 13 -8.004 -3.581 8.349 114 HD2 PRO 13 HD2 PRO 13 -10.228 -2.581 7.267 115 HD3 PRO 13 HD1 PRO 13 -8.697 -2.598 6.367 116 H GLN 14 HN GLN 14 -11.386 -5.474 7.493 117 HA GLN 14 HA GLN 14 -11.801 -8.287 7.638 118 HB2 GLN 14 HB2 GLN 14 -13.552 -5.961 8.437 119 HB3 GLN 14 HB1 GLN 14 -13.974 -7.641 8.736 120 HG2 GLN 14 HG2 GLN 14 -11.740 -7.785 9.969 121 HG3 GLN 14 HG1 GLN 14 -11.753 -6.024 9.921 122 HE21 GLN 14 HE21 GLN 14 -14.571 -8.103 10.273 123 HE22 GLN 14 HE22 GLN 14 -14.968 -7.600 11.878 124 H LEU 15 HN LEU 15 -13.354 -5.640 5.875 125 HA LEU 15 HA LEU 15 -15.448 -7.078 4.723 126 HB2 LEU 15 HB2 LEU 15 -15.220 -4.609 4.694 127 HB3 LEU 15 HB1 LEU 15 -13.940 -4.766 3.507 128 HG LEU 15 HG LEU 15 -15.592 -5.833 1.956 129 HD11 LEU 15 HD11 LEU 15 -17.209 -6.630 3.559 130 HD12 LEU 15 HD12 LEU 15 -17.985 -5.491 2.459 131 HD13 LEU 15 HD13 LEU 15 -17.544 -4.981 4.088 132 HD21 LEU 15 HD21 LEU 15 -16.285 -3.063 2.922 133 HD22 LEU 15 HD22 LEU 15 -16.683 -3.742 1.345 134 HD23 LEU 15 HD23 LEU 15 -14.998 -3.461 1.785 135 H CYS 16 HN CYS 16 -12.170 -6.482 3.497 136 HA CYS 16 HA CYS 16 -12.438 -7.799 1.045 137 HB2 CYS 16 HB2 CYS 16 -9.951 -7.665 2.760 138 HB3 CYS 16 HB1 CYS 16 -10.013 -7.917 1.019 139 HG CYS 16 HG CYS 16 -10.816 -5.042 2.690 140 H THR 17 HN THR 17 -11.410 -9.014 4.209 141 HA THR 17 HA THR 17 -10.851 -11.651 3.443 142 HB THR 17 HB THR 17 -11.850 -10.738 6.143 143 HG1 THR 17 HG1 THR 17 -10.102 -9.445 5.701 144 HG21 THR 17 HG21 THR 17 -10.486 -12.600 6.988 145 HG22 THR 17 HG22 THR 17 -10.066 -13.040 5.332 146 HG23 THR 17 HG23 THR 17 -11.735 -13.166 5.881 147 H GLU 18 HN GLU 18 -13.839 -10.137 4.621 148 HA GLU 18 HA GLU 18 -15.360 -12.530 4.719 149 HB2 GLU 18 HB2 GLU 18 -16.262 -9.656 4.460 150 HB3 GLU 18 HB1 GLU 18 -17.316 -11.011 4.842 151 HG2 GLU 18 HG2 GLU 18 -15.116 -11.013 6.652 152 HG3 GLU 18 HG1 GLU 18 -15.822 -9.399 6.604 153 H LEU 19 HN LEU 19 -14.607 -10.251 2.193 154 HA LEU 19 HA LEU 19 -16.601 -11.244 0.364 155 HB2 LEU 19 HB2 LEU 19 -14.411 -9.226 0.254 156 HB3 LEU 19 HB1 LEU 19 -15.019 -9.868 -1.258 157 HG LEU 19 HG LEU 19 -16.775 -8.573 0.822 158 HD11 LEU 19 HD11 LEU 19 -15.629 -7.352 -1.686 159 HD12 LEU 19 HD12 LEU 19 -15.103 -6.988 -0.043 160 HD13 LEU 19 HD13 LEU 19 -16.741 -6.584 -0.552 161 HD21 LEU 19 HD21 LEU 19 -18.327 -8.372 -1.110 162 HD22 LEU 19 HD22 LEU 19 -18.001 -10.036 -0.631 163 HD23 LEU 19 HD23 LEU 19 -17.211 -9.358 -2.055 164 H GLN 20 HN GLN 20 -13.866 -12.556 1.522 165 HA GLN 20 HA GLN 20 -12.564 -14.316 0.943 166 HB2 GLN 20 HB2 GLN 20 -14.399 -14.590 -1.447 167 HB3 GLN 20 HB1 GLN 20 -13.289 -15.814 -0.845 168 HG2 GLN 20 HG2 GLN 20 -14.576 -16.220 1.057 169 HG3 GLN 20 HG1 GLN 20 -15.473 -14.713 0.883 170 HE21 GLN 20 HE21 GLN 20 -15.197 -18.005 -0.108 171 HE22 GLN 20 HE22 GLN 20 -16.673 -18.076 -1.002 172 H THR 21 HN THR 21 -11.922 -11.646 0.090 173 HA THR 21 HA THR 21 -10.046 -12.343 -2.040 174 HB THR 21 HB THR 21 -12.009 -11.226 -3.109 175 HG1 THR 21 HG1 THR 21 -10.677 -10.227 -4.466 176 HG21 THR 21 HG21 THR 21 -12.656 -9.731 -1.296 177 HG22 THR 21 HG22 THR 21 -12.326 -8.811 -2.763 178 HG23 THR 21 HG23 THR 21 -11.138 -8.849 -1.461 179 H THR 22 HN THR 22 -8.799 -9.926 -2.352 180 HA THR 22 HA THR 22 -7.858 -9.314 0.373 181 HB THR 22 HB THR 22 -5.621 -8.864 -0.673 182 HG1 THR 22 HG1 THR 22 -6.077 -10.472 -2.837 183 HG21 THR 22 HG21 THR 22 -4.966 -11.216 -0.824 184 HG22 THR 22 HG22 THR 22 -6.658 -11.687 -0.983 185 HG23 THR 22 HG23 THR 22 -6.082 -10.965 0.519 186 H ILE 23 HN ILE 23 -6.430 -7.194 0.198 187 HA ILE 23 HA ILE 23 -8.247 -5.113 -0.563 188 HB ILE 23 HB ILE 23 -5.410 -4.599 0.284 189 HG12 ILE 23 HG12 ILE 23 -7.686 -5.412 2.109 190 HG13 ILE 23 HG11 ILE 23 -6.248 -6.368 1.777 191 HG21 ILE 23 HG21 ILE 23 -6.416 -2.686 1.417 192 HG22 ILE 23 HG22 ILE 23 -8.018 -3.214 0.898 193 HG23 ILE 23 HG23 ILE 23 -6.829 -2.700 -0.298 194 HD11 ILE 23 HD11 ILE 23 -4.865 -4.661 2.829 195 HD12 ILE 23 HD12 ILE 23 -6.103 -5.264 3.933 196 HD13 ILE 23 HD13 ILE 23 -6.303 -3.693 3.154 197 H HIS 24 HN HIS 24 -6.306 -6.893 -2.434 198 HA HIS 24 HA HIS 24 -5.503 -4.643 -4.154 199 HB2 HIS 24 HB2 HIS 24 -4.501 -7.440 -4.577 200 HB3 HIS 24 HB1 HIS 24 -3.736 -5.914 -4.997 201 HD1 HIS 24 HD1 HIS 24 -2.125 -4.903 -3.257 202 HD2 HIS 24 HD2 HIS 24 -4.235 -8.210 -1.874 203 HE1 HIS 24 HE1 HIS 24 -1.083 -5.544 -1.047 204 H ASP 25 HN ASP 25 -7.978 -6.689 -3.771 205 HA ASP 25 HA ASP 25 -8.511 -6.803 -6.660 206 HB2 ASP 25 HB2 ASP 25 -7.806 -9.030 -5.901 207 HB3 ASP 25 HB1 ASP 25 -9.068 -9.016 -4.677 208 H ILE 26 HN ILE 26 -9.639 -6.170 -3.479 209 HA ILE 26 HA ILE 26 -12.403 -6.387 -3.824 210 HB ILE 26 HB ILE 26 -11.361 -6.092 -1.623 211 HG12 ILE 26 HG12 ILE 26 -13.299 -3.857 -2.248 212 HG13 ILE 26 HG11 ILE 26 -13.762 -5.539 -2.013 213 HG21 ILE 26 HG21 ILE 26 -9.642 -4.465 -2.220 214 HG22 ILE 26 HG22 ILE 26 -10.610 -3.905 -0.857 215 HG23 ILE 26 HG23 ILE 26 -10.882 -3.235 -2.466 216 HD11 ILE 26 HD11 ILE 26 -12.628 -3.628 0.003 217 HD12 ILE 26 HD12 ILE 26 -12.736 -5.367 0.282 218 HD13 ILE 26 HD13 ILE 26 -14.202 -4.424 0.010 219 H ILE 27 HN ILE 27 -13.901 -5.169 -4.796 220 HA ILE 27 HA ILE 27 -12.994 -2.765 -6.214 221 HB ILE 27 HB ILE 27 -15.500 -4.385 -6.696 222 HG12 ILE 27 HG12 ILE 27 -13.465 -5.697 -7.171 223 HG13 ILE 27 HG11 ILE 27 -14.353 -5.320 -8.642 224 HG21 ILE 27 HG21 ILE 27 -15.600 -3.158 -8.821 225 HG22 ILE 27 HG22 ILE 27 -14.193 -2.215 -8.333 226 HG23 ILE 27 HG23 ILE 27 -15.700 -2.079 -7.429 227 HD11 ILE 27 HD11 ILE 27 -11.975 -5.083 -8.996 228 HD12 ILE 27 HD12 ILE 27 -11.867 -3.938 -7.660 229 HD13 ILE 27 HD13 ILE 27 -12.765 -3.511 -9.116 230 H LEU 28 HN LEU 28 -13.373 -0.972 -5.071 231 HA LEU 28 HA LEU 28 -16.053 -0.624 -3.900 232 HB2 LEU 28 HB2 LEU 28 -13.534 -0.602 -2.547 233 HB3 LEU 28 HB1 LEU 28 -14.193 1.023 -2.511 234 HG LEU 28 HG LEU 28 -16.290 0.116 -1.532 235 HD11 LEU 28 HD11 LEU 28 -16.064 -2.202 -0.511 236 HD12 LEU 28 HD12 LEU 28 -14.739 -2.449 -1.648 237 HD13 LEU 28 HD13 LEU 28 -16.362 -2.117 -2.246 238 HD21 LEU 28 HD21 LEU 28 -13.744 -0.483 -0.034 239 HD22 LEU 28 HD22 LEU 28 -15.345 -0.353 0.694 240 HD23 LEU 28 HD23 LEU 28 -14.610 1.052 -0.073 241 H GLU 29 HN GLU 29 -16.943 1.452 -4.069 242 HA GLU 29 HA GLU 29 -15.512 3.237 -5.915 243 HB2 GLU 29 HB2 GLU 29 -17.948 4.002 -6.473 244 HB3 GLU 29 HB1 GLU 29 -17.294 2.545 -7.207 245 HG2 GLU 29 HG2 GLU 29 -18.442 1.194 -5.507 246 HG3 GLU 29 HG1 GLU 29 -19.130 2.667 -4.824 247 H CYS 30 HN CYS 30 -16.120 5.516 -5.780 248 HA CYS 30 HA CYS 30 -15.887 6.455 -3.113 249 HB2 CYS 30 HB2 CYS 30 -14.858 7.655 -4.971 250 HB3 CYS 30 HB1 CYS 30 -16.438 7.955 -5.683 251 H VAL 31 HN VAL 31 -17.298 7.525 -1.843 252 HA VAL 31 HA VAL 31 -20.082 6.905 -2.192 253 HB VAL 31 HB VAL 31 -19.089 6.772 0.025 254 HG11 VAL 31 HG11 VAL 31 -18.517 8.926 1.221 255 HG12 VAL 31 HG12 VAL 31 -18.482 9.686 -0.372 256 HG13 VAL 31 HG13 VAL 31 -17.366 8.373 0.005 257 HG21 VAL 31 HG21 VAL 31 -21.092 9.016 -0.145 258 HG22 VAL 31 HG22 VAL 31 -20.722 8.069 1.296 259 HG23 VAL 31 HG23 VAL 31 -21.459 7.293 -0.104 260 H TYR 32 HN TYR 32 -18.035 9.625 -2.821 261 HA TYR 32 HA TYR 32 -20.357 11.401 -3.068 262 HB2 TYR 32 HB2 TYR 32 -17.401 12.033 -3.089 263 HB3 TYR 32 HB1 TYR 32 -18.687 13.224 -3.251 264 HD1 TYR 32 HD2 TYR 32 -20.510 13.077 -1.292 265 HD2 TYR 32 HD1 TYR 32 -16.477 11.761 -0.993 266 HE1 TYR 32 HE2 TYR 32 -20.629 13.289 1.155 267 HE2 TYR 32 HE1 TYR 32 -16.585 11.970 1.456 268 HH TYR 32 HH TYR 32 -17.789 12.906 3.175 269 H CYS 33 HN CYS 33 -17.572 10.231 -4.944 270 HA CYS 33 HA CYS 33 -18.585 11.546 -7.327 271 HB2 CYS 33 HB2 CYS 33 -16.211 9.696 -7.116 272 HB3 CYS 33 HB1 CYS 33 -16.551 10.863 -8.387 273 H LYS 34 HN LYS 34 -18.816 8.462 -5.852 274 HA LYS 34 HA LYS 34 -19.765 6.492 -6.473 275 HB2 LYS 34 HB2 LYS 34 -21.534 8.258 -7.251 276 HB3 LYS 34 HB1 LYS 34 -20.992 7.834 -8.867 277 HG2 LYS 34 HG2 LYS 34 -22.923 6.539 -8.386 278 HG3 LYS 34 HG1 LYS 34 -21.534 5.454 -8.345 279 HD2 LYS 34 HD2 LYS 34 -21.513 5.507 -5.931 280 HD3 LYS 34 HD1 LYS 34 -22.803 6.709 -5.916 281 HE2 LYS 34 HE2 LYS 34 -23.629 4.449 -5.426 282 HE3 LYS 34 HE1 LYS 34 -24.342 5.119 -6.893 283 HZ1 LYS 34 HZ1 LYS 34 -23.395 2.691 -6.809 284 HZ2 LYS 34 HZ2 LYS 34 -21.929 3.473 -7.156 285 HZ3 LYS 34 HZ3 LYS 34 -23.252 3.636 -8.204 286 H GLN 35 HN GLN 35 -17.187 7.228 -7.446 287 HA GLN 35 HA GLN 35 -17.054 5.702 -9.956 288 HB2 GLN 35 HB2 GLN 35 -16.157 7.674 -10.664 289 HB3 GLN 35 HB1 GLN 35 -15.722 8.178 -9.040 290 HG2 GLN 35 HG2 GLN 35 -14.091 5.964 -9.905 291 HG3 GLN 35 HG1 GLN 35 -14.017 7.302 -11.051 292 HE21 GLN 35 HE21 GLN 35 -13.325 6.247 -7.827 293 HE22 GLN 35 HE22 GLN 35 -12.327 7.586 -7.381 294 H GLN 36 HN GLN 36 -15.779 3.925 -10.009 295 HA GLN 36 HA GLN 36 -14.999 2.682 -7.624 296 HB2 GLN 36 HB2 GLN 36 -14.395 2.144 -10.516 297 HB3 GLN 36 HB1 GLN 36 -13.652 1.177 -9.249 298 HG2 GLN 36 HG2 GLN 36 -15.571 0.000 -9.988 299 HG3 GLN 36 HG1 GLN 36 -15.957 0.672 -8.405 300 HE21 GLN 36 HE21 GLN 36 -18.158 0.680 -8.715 301 HE22 GLN 36 HE22 GLN 36 -18.943 1.752 -9.819 302 H LEU 37 HN LEU 37 -13.192 2.683 -6.450 303 HA LEU 37 HA LEU 37 -11.134 4.615 -7.057 304 HB2 LEU 37 HB2 LEU 37 -11.897 2.929 -4.747 305 HB3 LEU 37 HB1 LEU 37 -10.196 3.322 -4.881 306 HG LEU 37 HG LEU 37 -10.928 5.765 -5.025 307 HD11 LEU 37 HD11 LEU 37 -13.297 5.307 -5.513 308 HD12 LEU 37 HD12 LEU 37 -13.080 6.323 -4.086 309 HD13 LEU 37 HD13 LEU 37 -13.475 4.613 -3.901 310 HD21 LEU 37 HD21 LEU 37 -11.358 4.161 -2.512 311 HD22 LEU 37 HD22 LEU 37 -11.179 5.913 -2.566 312 HD23 LEU 37 HD23 LEU 37 -9.847 4.873 -3.068 313 H LEU 38 HN LEU 38 -8.932 4.161 -7.372 314 HA LEU 38 HA LEU 38 -8.441 1.604 -8.656 315 HB2 LEU 38 HB2 LEU 38 -6.595 3.976 -8.339 316 HB3 LEU 38 HB1 LEU 38 -6.311 2.575 -9.355 317 HG LEU 38 HG LEU 38 -8.498 4.626 -9.745 318 HD11 LEU 38 HD11 LEU 38 -6.363 5.555 -10.315 319 HD12 LEU 38 HD12 LEU 38 -7.213 5.150 -11.806 320 HD13 LEU 38 HD13 LEU 38 -5.923 4.106 -11.217 321 HD21 LEU 38 HD21 LEU 38 -8.849 3.445 -11.899 322 HD22 LEU 38 HD22 LEU 38 -9.274 2.477 -10.488 323 HD23 LEU 38 HD23 LEU 38 -7.760 2.176 -11.342 324 H ARG 39 HN ARG 39 -6.387 0.455 -8.161 325 HA ARG 39 HA ARG 39 -6.355 -0.420 -5.519 326 HB2 ARG 39 HB2 ARG 39 -5.512 -1.578 -7.638 327 HB3 ARG 39 HB1 ARG 39 -4.011 -0.703 -7.376 328 HG2 ARG 39 HG2 ARG 39 -4.372 -1.787 -4.931 329 HG3 ARG 39 HG1 ARG 39 -5.125 -3.017 -5.948 330 HD2 ARG 39 HD2 ARG 39 -2.333 -1.919 -6.241 331 HD3 ARG 39 HD1 ARG 39 -2.768 -3.503 -5.605 332 HE ARG 39 HE ARG 39 -3.733 -3.913 -7.899 333 HH11 ARG 39 HH11 ARG 39 -1.057 -1.714 -7.378 334 HH12 ARG 39 HH12 ARG 39 -0.389 -1.954 -8.960 335 HH21 ARG 39 HH21 ARG 39 -2.866 -4.202 -9.993 336 HH22 ARG 39 HH22 ARG 39 -1.429 -3.343 -10.454 337 H ARG 40 HN ARG 40 -4.756 2.314 -6.875 338 HA ARG 40 HA ARG 40 -2.585 2.413 -5.009 339 HB2 ARG 40 HB2 ARG 40 -3.573 4.912 -6.287 340 HB3 ARG 40 HB1 ARG 40 -1.926 4.351 -6.048 341 HG2 ARG 40 HG2 ARG 40 -1.973 3.020 -7.948 342 HG3 ARG 40 HG1 ARG 40 -3.738 3.000 -8.011 343 HD2 ARG 40 HD2 ARG 40 -1.863 5.238 -8.707 344 HD3 ARG 40 HD1 ARG 40 -3.076 4.469 -9.729 345 HE ARG 40 HE ARG 40 -4.689 5.486 -7.950 346 HH11 ARG 40 HH11 ARG 40 -1.765 6.979 -9.215 347 HH12 ARG 40 HH12 ARG 40 -2.346 8.598 -8.966 348 HH21 ARG 40 HH21 ARG 40 -5.434 7.602 -7.601 349 HH22 ARG 40 HH22 ARG 40 -4.414 8.952 -8.029 350 H GLU 41 HN GLU 41 -5.626 4.243 -5.322 351 HA GLU 41 HA GLU 41 -5.263 5.597 -2.846 352 HB2 GLU 41 HB2 GLU 41 -7.917 5.874 -3.230 353 HB3 GLU 41 HB1 GLU 41 -6.709 6.874 -4.016 354 HG2 GLU 41 HG2 GLU 41 -7.713 4.369 -5.311 355 HG3 GLU 41 HG1 GLU 41 -8.615 5.879 -5.421 356 H VAL 42 HN VAL 42 -6.641 2.533 -3.731 357 HA VAL 42 HA VAL 42 -8.175 2.097 -1.393 358 HB VAL 42 HB VAL 42 -6.791 0.091 -3.194 359 HG11 VAL 42 HG11 VAL 42 -7.293 -0.790 -0.908 360 HG12 VAL 42 HG12 VAL 42 -8.144 -1.621 -2.210 361 HG13 VAL 42 HG13 VAL 42 -8.998 -0.446 -1.209 362 HG21 VAL 42 HG21 VAL 42 -9.051 -0.246 -4.117 363 HG22 VAL 42 HG22 VAL 42 -8.462 1.398 -4.357 364 HG23 VAL 42 HG23 VAL 42 -9.645 1.063 -3.095 365 H TYR 43 HN TYR 43 -4.789 1.648 -2.209 366 HA TYR 43 HA TYR 43 -3.954 0.317 0.138 367 HB2 TYR 43 HB2 TYR 43 -2.552 2.033 -1.894 368 HB3 TYR 43 HB1 TYR 43 -1.707 1.489 -0.456 369 HD1 TYR 43 HD2 TYR 43 -3.743 -1.194 -0.986 370 HD2 TYR 43 HD1 TYR 43 -0.495 0.824 -2.859 371 HE1 TYR 43 HE2 TYR 43 -3.111 -3.274 -2.135 372 HE2 TYR 43 HE1 TYR 43 0.138 -1.247 -4.008 373 HH TYR 43 HH TYR 43 -0.116 -3.637 -3.736 374 H ASP 44 HN ASP 44 -4.221 3.707 -0.765 375 HA ASP 44 HA ASP 44 -3.049 4.846 1.514 376 HB2 ASP 44 HB2 ASP 44 -5.055 5.866 -0.483 377 HB3 ASP 44 HB1 ASP 44 -4.575 6.847 0.895 378 H PHE 45 HN PHE 45 -6.344 3.805 0.852 379 HA PHE 45 HA PHE 45 -7.570 4.915 3.123 380 HB2 PHE 45 HB2 PHE 45 -8.478 3.586 0.958 381 HB3 PHE 45 HB1 PHE 45 -8.588 2.305 2.159 382 HD1 PHE 45 HD2 PHE 45 -9.528 5.855 1.604 383 HD2 PHE 45 HD1 PHE 45 -10.465 2.163 3.508 384 HE1 PHE 45 HE2 PHE 45 -11.646 6.809 2.400 385 HE2 PHE 45 HE1 PHE 45 -12.590 3.115 4.305 386 HZ PHE 45 HZ PHE 45 -13.182 5.440 3.753 387 H ALA 46 HN ALA 46 -5.823 1.905 2.648 388 HA ALA 46 HA ALA 46 -6.428 0.992 5.336 389 HB1 ALA 46 HB1 ALA 46 -4.643 -0.239 3.236 390 HB2 ALA 46 HB2 ALA 46 -6.338 -0.637 3.521 391 HB3 ALA 46 HB3 ALA 46 -5.132 -0.985 4.758 392 H PHE 47 HN PHE 47 -3.940 2.720 3.690 393 HA PHE 47 HA PHE 47 -1.846 2.222 5.587 394 HB2 PHE 47 HB2 PHE 47 -1.527 2.891 3.162 395 HB3 PHE 47 HB1 PHE 47 -2.038 4.511 3.619 396 HD1 PHE 47 HD1 PHE 47 0.484 1.909 4.441 397 HD2 PHE 47 HD2 PHE 47 -0.466 6.052 4.335 398 HE1 PHE 47 HE1 PHE 47 2.806 2.450 5.063 399 HE2 PHE 47 HE2 PHE 47 1.852 6.608 4.957 400 HZ PHE 47 HZ PHE 47 3.490 4.804 5.321 401 H ARG 48 HN ARG 48 -4.456 4.470 5.285 402 HA ARG 48 HA ARG 48 -3.433 6.038 7.555 403 HB2 ARG 48 HB2 ARG 48 -5.676 6.737 5.644 404 HB3 ARG 48 HB1 ARG 48 -4.994 7.781 6.884 405 HG2 ARG 48 HG2 ARG 48 -2.930 7.951 5.713 406 HG3 ARG 48 HG1 ARG 48 -3.422 6.711 4.555 407 HD2 ARG 48 HD2 ARG 48 -5.373 8.296 4.007 408 HD3 ARG 48 HD1 ARG 48 -4.427 9.525 4.846 409 HE ARG 48 HE ARG 48 -2.760 8.296 2.979 410 HH11 ARG 48 HH11 ARG 48 -5.620 10.311 3.015 411 HH12 ARG 48 HH12 ARG 48 -5.298 11.023 1.467 412 HH21 ARG 48 HH21 ARG 48 -2.320 9.236 0.951 413 HH22 ARG 48 HH22 ARG 48 -3.408 10.420 0.297 414 H ASP 49 HN ASP 49 -5.154 6.779 9.109 415 HA ASP 49 HA ASP 49 -6.764 4.494 9.884 416 HB2 ASP 49 HB2 ASP 49 -5.616 5.549 11.685 417 HB3 ASP 49 HB1 ASP 49 -6.162 7.149 11.194 418 H LEU 50 HN LEU 50 -8.416 4.363 8.406 419 HA LEU 50 HA LEU 50 -10.460 6.457 8.601 420 HB2 LEU 50 HB2 LEU 50 -9.416 5.287 6.022 421 HB3 LEU 50 HB1 LEU 50 -10.860 6.271 6.148 422 HG LEU 50 HG LEU 50 -8.197 7.327 7.054 423 HD11 LEU 50 HD11 LEU 50 -7.818 6.589 4.798 424 HD12 LEU 50 HD12 LEU 50 -7.970 8.346 4.813 425 HD13 LEU 50 HD13 LEU 50 -9.314 7.350 4.257 426 HD21 LEU 50 HD21 LEU 50 -9.236 9.480 6.555 427 HD22 LEU 50 HD22 LEU 50 -10.207 8.560 7.704 428 HD23 LEU 50 HD23 LEU 50 -10.699 8.658 6.014 429 H CYS 51 HN CYS 51 -12.574 5.745 7.976 430 HA CYS 51 HA CYS 51 -12.903 2.824 8.131 431 HB2 CYS 51 HB2 CYS 51 -14.764 4.984 9.141 432 HB3 CYS 51 HB1 CYS 51 -15.074 3.256 9.219 433 HG CYS 51 HG CYS 51 -12.204 3.686 10.645 434 H ILE 52 HN ILE 52 -14.867 2.007 7.034 435 HA ILE 52 HA ILE 52 -15.111 3.214 4.425 436 HB ILE 52 HB ILE 52 -16.710 0.874 5.440 437 HG12 ILE 52 HG12 ILE 52 -13.974 0.757 4.161 438 HG13 ILE 52 HG11 ILE 52 -14.279 0.525 5.881 439 HG21 ILE 52 HG21 ILE 52 -15.751 1.610 2.678 440 HG22 ILE 52 HG22 ILE 52 -17.383 1.861 3.298 441 HG23 ILE 52 HG23 ILE 52 -16.756 0.223 3.098 442 HD11 ILE 52 HD11 ILE 52 -14.081 -1.617 4.939 443 HD12 ILE 52 HD12 ILE 52 -15.146 -1.212 3.595 444 HD13 ILE 52 HD13 ILE 52 -15.803 -1.372 5.226 445 H VAL 53 HN VAL 53 -16.808 4.330 3.633 446 HA VAL 53 HA VAL 53 -18.889 5.122 5.520 447 HB VAL 53 HB VAL 53 -18.427 6.151 2.711 448 HG11 VAL 53 HG11 VAL 53 -19.955 7.311 5.041 449 HG12 VAL 53 HG12 VAL 53 -20.660 6.583 3.599 450 HG13 VAL 53 HG13 VAL 53 -19.733 8.077 3.470 451 HG21 VAL 53 HG21 VAL 53 -17.394 7.223 5.335 452 HG22 VAL 53 HG22 VAL 53 -17.300 8.064 3.788 453 HG23 VAL 53 HG23 VAL 53 -16.430 6.547 4.022 454 H TYR 54 HN TYR 54 -20.661 3.922 5.570 455 HA TYR 54 HA TYR 54 -21.426 2.411 3.185 456 HB2 TYR 54 HB2 TYR 54 -22.006 2.101 6.112 457 HB3 TYR 54 HB1 TYR 54 -23.042 1.332 4.914 458 HD1 TYR 54 HD2 TYR 54 -19.703 1.365 6.424 459 HD2 TYR 54 HD1 TYR 54 -22.231 -0.499 3.558 460 HE1 TYR 54 HE2 TYR 54 -18.115 -0.504 6.247 461 HE2 TYR 54 HE1 TYR 54 -20.651 -2.372 3.372 462 HH TYR 54 HH TYR 54 -18.260 -2.979 5.579 463 H ARG 55 HN ARG 55 -22.778 3.431 1.902 464 HA ARG 55 HA ARG 55 -24.942 5.034 3.096 465 HB2 ARG 55 HB2 ARG 55 -23.517 5.183 0.454 466 HB3 ARG 55 HB1 ARG 55 -25.147 5.822 0.607 467 HG2 ARG 55 HG2 ARG 55 -22.871 6.667 2.384 468 HG3 ARG 55 HG1 ARG 55 -23.285 7.486 0.878 469 HD2 ARG 55 HD2 ARG 55 -24.959 7.218 3.364 470 HD3 ARG 55 HD1 ARG 55 -24.319 8.692 2.645 471 HE ARG 55 HE ARG 55 -26.704 7.264 1.879 472 HH11 ARG 55 HH11 ARG 55 -24.273 9.563 0.827 473 HH12 ARG 55 HH12 ARG 55 -25.299 10.285 -0.369 474 HH21 ARG 55 HH21 ARG 55 -28.055 8.239 0.322 475 HH22 ARG 55 HH22 ARG 55 -27.448 9.546 -0.646 476 H ASP 56 HN ASP 56 -26.821 4.078 3.171 477 HA ASP 56 HA ASP 56 -28.689 2.927 2.608 478 HB2 ASP 56 HB2 ASP 56 -28.215 3.806 0.272 479 HB3 ASP 56 HB1 ASP 56 -27.455 2.252 -0.060 480 H GLY 57 HN GLY 57 -25.581 1.539 2.464 481 HA2 GLY 57 HA2 GLY 57 -25.588 -0.557 3.909 482 HA3 GLY 57 HA1 GLY 57 -26.717 -1.169 2.709 483 H ASN 58 HN ASN 58 -24.802 0.654 0.894 484 HA ASN 58 HA ASN 58 -23.131 -1.628 0.167 485 HB2 ASN 58 HB2 ASN 58 -23.932 0.888 -1.264 486 HB3 ASN 58 HB1 ASN 58 -22.555 -0.059 -1.820 487 HD21 ASN 58 HD21 ASN 58 -25.979 0.123 -1.555 488 HD22 ASN 58 HD22 ASN 58 -26.340 -1.287 -2.487 489 HA PRO 59 HA PRO 59 -19.536 0.272 1.928 490 HB2 PRO 59 HB2 PRO 59 -17.789 -1.277 0.245 491 HB3 PRO 59 HB1 PRO 59 -18.210 -1.569 1.939 492 HG2 PRO 59 HG2 PRO 59 -18.936 -3.198 -0.134 493 HG3 PRO 59 HG1 PRO 59 -19.785 -3.095 1.420 494 HD2 PRO 59 HD2 PRO 59 -20.495 -1.864 -1.203 495 HD3 PRO 59 HD1 PRO 59 -21.547 -2.559 0.046 496 H TYR 60 HN TYR 60 -19.069 2.315 1.374 497 HA TYR 60 HA TYR 60 -18.006 2.788 -1.330 498 HB2 TYR 60 HB2 TYR 60 -19.594 4.628 0.465 499 HB3 TYR 60 HB1 TYR 60 -18.752 5.168 -0.984 500 HD1 TYR 60 HD1 TYR 60 -19.390 4.025 -3.193 501 HD2 TYR 60 HD2 TYR 60 -21.774 3.824 0.321 502 HE1 TYR 60 HE1 TYR 60 -21.342 3.429 -4.562 503 HE2 TYR 60 HE2 TYR 60 -23.734 3.226 -1.034 504 HH TYR 60 HH TYR 60 -23.523 2.228 -4.234 505 H ALA 61 HN ALA 61 -16.141 3.917 -1.539 506 HA ALA 61 HA ALA 61 -14.674 4.420 0.963 507 HB1 ALA 61 HB1 ALA 61 -13.562 2.737 -0.282 508 HB2 ALA 61 HB2 ALA 61 -12.631 4.219 -0.504 509 HB3 ALA 61 HB3 ALA 61 -13.707 3.652 -1.781 510 H VAL 62 HN VAL 62 -12.770 6.052 0.380 511 HA VAL 62 HA VAL 62 -13.993 8.380 -0.941 512 HB VAL 62 HB VAL 62 -12.036 8.592 1.344 513 HG11 VAL 62 HG11 VAL 62 -14.077 10.502 0.233 514 HG12 VAL 62 HG12 VAL 62 -12.343 10.548 -0.077 515 HG13 VAL 62 HG13 VAL 62 -12.954 10.835 1.552 516 HG21 VAL 62 HG21 VAL 62 -15.048 8.569 1.562 517 HG22 VAL 62 HG22 VAL 62 -13.924 8.973 2.860 518 HG23 VAL 62 HG23 VAL 62 -13.953 7.340 2.193 519 H CYS 63 HN CYS 63 -12.875 8.904 -2.714 520 HA CYS 63 HA CYS 63 -10.296 7.808 -3.230 521 HB2 CYS 63 HB2 CYS 63 -10.594 9.619 -5.202 522 HB3 CYS 63 HB1 CYS 63 -11.335 8.025 -5.232 523 H ASP 64 HN ASP 64 -8.604 9.363 -4.202 524 HA ASP 64 HA ASP 64 -7.428 10.786 -2.129 525 HB2 ASP 64 HB2 ASP 64 -6.074 9.999 -3.932 526 HB3 ASP 64 HB1 ASP 64 -7.000 10.915 -5.114 527 H LYS 65 HN LYS 65 -9.528 11.902 -4.700 528 HA LYS 65 HA LYS 65 -9.142 14.654 -4.452 529 HB2 LYS 65 HB2 LYS 65 -11.752 13.337 -5.191 530 HB3 LYS 65 HB1 LYS 65 -11.175 14.922 -5.685 531 HG2 LYS 65 HG2 LYS 65 -10.390 13.982 -7.534 532 HG3 LYS 65 HG1 LYS 65 -9.216 13.124 -6.536 533 HD2 LYS 65 HD2 LYS 65 -10.359 11.493 -7.838 534 HD3 LYS 65 HD1 LYS 65 -10.949 11.351 -6.180 535 HE2 LYS 65 HE2 LYS 65 -12.840 12.903 -6.909 536 HE3 LYS 65 HE1 LYS 65 -12.322 12.566 -8.559 537 HZ1 LYS 65 HZ1 LYS 65 -12.917 10.377 -6.669 538 HZ2 LYS 65 HZ2 LYS 65 -12.905 10.339 -8.367 539 HZ3 LYS 65 HZ3 LYS 65 -14.156 11.135 -7.543 540 H CYS 66 HN CYS 66 -11.836 12.728 -3.107 541 HA CYS 66 HA CYS 66 -12.807 14.892 -1.549 542 HB2 CYS 66 HB2 CYS 66 -13.605 12.181 -0.742 543 HB3 CYS 66 HB1 CYS 66 -14.595 13.558 -1.213 544 H LEU 67 HN LEU 67 -10.526 12.315 -0.919 545 HA LEU 67 HA LEU 67 -10.626 12.241 1.857 546 HB2 LEU 67 HB2 LEU 67 -8.564 11.604 -0.166 547 HB3 LEU 67 HB1 LEU 67 -8.013 11.807 1.485 548 HG LEU 67 HG LEU 67 -10.139 9.851 0.599 549 HD11 LEU 67 HD11 LEU 67 -7.994 9.177 -0.253 550 HD12 LEU 67 HD12 LEU 67 -8.404 8.158 1.128 551 HD13 LEU 67 HD13 LEU 67 -7.237 9.467 1.313 552 HD21 LEU 67 HD21 LEU 67 -8.825 10.359 3.261 553 HD22 LEU 67 HD22 LEU 67 -9.770 8.919 2.888 554 HD23 LEU 67 HD23 LEU 67 -10.538 10.504 2.865 555 H LYS 68 HN LYS 68 -8.719 14.424 -0.211 556 HA LYS 68 HA LYS 68 -7.632 15.759 2.112 557 HB2 LYS 68 HB2 LYS 68 -6.663 17.337 0.391 558 HB3 LYS 68 HB1 LYS 68 -6.148 15.663 0.277 559 HG2 LYS 68 HG2 LYS 68 -8.159 15.542 -1.434 560 HG3 LYS 68 HG1 LYS 68 -7.816 17.268 -1.567 561 HD2 LYS 68 HD2 LYS 68 -5.422 16.682 -1.963 562 HD3 LYS 68 HD1 LYS 68 -5.900 14.985 -2.024 563 HE2 LYS 68 HE2 LYS 68 -7.471 15.578 -3.868 564 HE3 LYS 68 HE1 LYS 68 -6.779 17.200 -3.862 565 HZ1 LYS 68 HZ1 LYS 68 -5.437 14.646 -4.533 566 HZ2 LYS 68 HZ2 LYS 68 -4.575 16.067 -4.192 567 HZ3 LYS 68 HZ3 LYS 68 -5.633 16.020 -5.510 568 H PHE 69 HN PHE 69 -10.397 16.066 0.110 569 HA PHE 69 HA PHE 69 -10.856 18.852 0.645 570 HB2 PHE 69 HB2 PHE 69 -12.585 16.720 -0.599 571 HB3 PHE 69 HB1 PHE 69 -13.132 18.368 -0.351 572 HD1 PHE 69 HD2 PHE 69 -9.925 19.077 -1.013 573 HD2 PHE 69 HD1 PHE 69 -13.279 17.341 -2.994 574 HE1 PHE 69 HE2 PHE 69 -8.971 19.717 -3.189 575 HE2 PHE 69 HE1 PHE 69 -12.323 17.981 -5.170 576 HZ PHE 69 HZ PHE 69 -10.176 19.175 -5.268 577 H TYR 70 HN TYR 70 -11.792 15.835 2.130 578 HA TYR 70 HA TYR 70 -13.483 17.348 4.009 579 HB2 TYR 70 HB2 TYR 70 -13.638 14.446 3.179 580 HB3 TYR 70 HB1 TYR 70 -14.580 15.143 4.492 581 HD1 TYR 70 HD1 TYR 70 -16.232 16.971 3.963 582 HD2 TYR 70 HD2 TYR 70 -14.338 14.652 0.941 583 HE1 TYR 70 HE1 TYR 70 -17.970 17.645 2.362 584 HE2 TYR 70 HE2 TYR 70 -16.070 15.324 -0.667 585 HH TYR 70 HH TYR 70 -18.582 16.125 -0.450 586 H MET 1 HT1 MET 1 23.584 3.123 -0.265 587 HA MET 1 HA MET 1 25.725 2.361 0.220 588 HB2 MET 1 HB2 MET 1 26.659 4.709 -0.431 589 HB3 MET 1 HB1 MET 1 26.492 5.066 1.282 590 HG2 MET 1 HG2 MET 1 27.941 3.143 1.792 591 HG3 MET 1 HG1 MET 1 28.156 2.878 0.064 592 HE1 MET 1 HE1 MET 1 29.176 4.753 -1.555 593 HE2 MET 1 HE2 MET 1 29.950 6.231 -0.983 594 HE3 MET 1 HE3 MET 1 28.202 6.046 -0.856 595 H PHE 2 HN PHE 2 26.467 1.731 2.388 596 HA PHE 2 HA PHE 2 24.898 2.846 4.588 597 HB2 PHE 2 HB2 PHE 2 24.156 0.464 3.372 598 HB3 PHE 2 HB1 PHE 2 25.061 -0.051 4.794 599 HD1 PHE 2 HD1 PHE 2 24.307 0.575 7.040 600 HD2 PHE 2 HD2 PHE 2 22.037 1.539 3.570 601 HE1 PHE 2 HE1 PHE 2 22.346 1.023 8.454 602 HE2 PHE 2 HE2 PHE 2 20.070 1.988 4.978 603 HZ PHE 2 HZ PHE 2 20.225 1.728 7.423 604 H GLN 3 HN GLN 3 25.652 1.951 6.719 605 HA GLN 3 HA GLN 3 28.513 2.194 6.842 606 HB2 GLN 3 HB2 GLN 3 28.064 1.936 9.350 607 HB3 GLN 3 HB1 GLN 3 27.390 3.349 8.550 608 HG2 GLN 3 HG2 GLN 3 25.231 2.090 8.360 609 HG3 GLN 3 HG1 GLN 3 25.943 0.849 9.389 610 HE21 GLN 3 HE21 GLN 3 26.250 1.259 11.556 611 HE22 GLN 3 HE22 GLN 3 25.551 2.636 12.350 612 H ASP 4 HN ASP 4 29.729 0.728 8.384 613 HA ASP 4 HA ASP 4 29.098 -2.087 7.757 614 HB2 ASP 4 HB2 ASP 4 31.300 -0.792 6.949 615 HB3 ASP 4 HB1 ASP 4 31.851 -1.245 8.558 616 HA PRO 5 HA PRO 5 30.148 -3.947 8.417 617 HB2 PRO 5 HB2 PRO 5 29.441 -6.153 9.911 618 HB3 PRO 5 HB1 PRO 5 31.062 -5.453 9.846 619 HG2 PRO 5 HG2 PRO 5 29.209 -5.478 12.040 620 HG3 PRO 5 HG1 PRO 5 30.901 -4.960 12.009 621 HD2 PRO 5 HD2 PRO 5 28.494 -3.336 11.957 622 HD3 PRO 5 HD1 PRO 5 30.177 -2.839 12.194 623 H GLN 6 HN GLN 6 27.827 -5.918 9.997 624 HA GLN 6 HA GLN 6 25.960 -5.317 7.830 625 HB2 GLN 6 HB2 GLN 6 26.065 -7.693 9.687 626 HB3 GLN 6 HB1 GLN 6 24.939 -7.491 8.351 627 HG2 GLN 6 HG2 GLN 6 26.903 -7.371 6.818 628 HG3 GLN 6 HG1 GLN 6 27.925 -7.796 8.190 629 HE21 GLN 6 HE21 GLN 6 25.632 -8.909 5.877 630 HE22 GLN 6 HE22 GLN 6 25.752 -10.591 6.250 631 H GLU 7 HN GLU 7 25.836 -3.355 9.613 632 HA GLU 7 HA GLU 7 23.729 -3.885 11.549 633 HB2 GLU 7 HB2 GLU 7 24.959 -1.226 10.798 634 HB3 GLU 7 HB1 GLU 7 24.035 -1.596 12.248 635 HG2 GLU 7 HG2 GLU 7 25.774 -2.875 13.160 636 HG3 GLU 7 HG1 GLU 7 26.619 -2.970 11.615 637 H ARG 8 HN ARG 8 22.836 -4.530 9.116 638 HA ARG 8 HA ARG 8 20.989 -2.349 8.417 639 HB2 ARG 8 HB2 ARG 8 22.092 -4.331 6.426 640 HB3 ARG 8 HB1 ARG 8 21.175 -2.866 6.095 641 HG2 ARG 8 HG2 ARG 8 22.982 -1.495 6.421 642 HG3 ARG 8 HG1 ARG 8 23.792 -2.640 7.490 643 HD2 ARG 8 HD2 ARG 8 24.012 -4.123 5.408 644 HD3 ARG 8 HD1 ARG 8 23.606 -2.668 4.497 645 HE ARG 8 HE ARG 8 25.642 -1.922 6.179 646 HH11 ARG 8 HH11 ARG 8 25.235 -4.332 3.669 647 HH12 ARG 8 HH12 ARG 8 26.915 -4.348 3.244 648 HH21 ARG 8 HH21 ARG 8 27.841 -1.922 5.612 649 HH22 ARG 8 HH22 ARG 8 28.401 -2.962 4.339 650 HA PRO 9 HA PRO 9 18.200 -5.734 9.393 651 HB2 PRO 9 HB2 PRO 9 15.949 -4.247 9.501 652 HB3 PRO 9 HB1 PRO 9 17.164 -4.197 10.795 653 HG2 PRO 9 HG2 PRO 9 16.692 -2.271 8.574 654 HG3 PRO 9 HG1 PRO 9 17.074 -1.960 10.280 655 HD2 PRO 9 HD2 PRO 9 18.931 -1.866 8.274 656 HD3 PRO 9 HD1 PRO 9 19.319 -2.232 9.965 657 H ARG 10 HN ARG 10 15.994 -6.404 8.448 658 HA ARG 10 HA ARG 10 16.097 -6.051 5.531 659 HB2 ARG 10 HB2 ARG 10 15.055 -8.322 7.226 660 HB3 ARG 10 HB1 ARG 10 14.758 -8.201 5.498 661 HG2 ARG 10 HG2 ARG 10 17.377 -8.603 6.909 662 HG3 ARG 10 HG1 ARG 10 16.582 -9.660 5.740 663 HD2 ARG 10 HD2 ARG 10 16.876 -7.874 4.029 664 HD3 ARG 10 HD1 ARG 10 17.816 -6.960 5.207 665 HE ARG 10 HE ARG 10 18.625 -9.385 3.806 666 HH11 ARG 10 HH11 ARG 10 19.362 -6.999 6.270 667 HH12 ARG 10 HH12 ARG 10 21.047 -7.397 6.328 668 HH21 ARG 10 HH21 ARG 10 20.860 -9.871 3.856 669 HH22 ARG 10 HH22 ARG 10 21.896 -9.015 4.952 670 H LYS 11 HN LYS 11 14.525 -4.881 8.095 671 HA LYS 11 HA LYS 11 11.877 -4.833 6.846 672 HB2 LYS 11 HB2 LYS 11 12.873 -4.256 9.622 673 HB3 LYS 11 HB1 LYS 11 11.334 -3.601 9.084 674 HG2 LYS 11 HG2 LYS 11 12.007 -6.532 8.990 675 HG3 LYS 11 HG1 LYS 11 11.202 -5.756 10.355 676 HD2 LYS 11 HD2 LYS 11 9.448 -4.962 8.735 677 HD3 LYS 11 HD1 LYS 11 10.204 -5.996 7.522 678 HE2 LYS 11 HE2 LYS 11 9.792 -7.954 8.890 679 HE3 LYS 11 HE1 LYS 11 9.116 -6.947 10.168 680 HZ1 LYS 11 HZ1 LYS 11 7.259 -7.717 9.060 681 HZ2 LYS 11 HZ2 LYS 11 7.971 -7.597 7.533 682 HZ3 LYS 11 HZ3 LYS 11 7.488 -6.198 8.350 683 H LEU 12 HN LEU 12 11.363 -3.173 5.624 684 HA LEU 12 HA LEU 12 12.985 -0.986 5.104 685 HB2 LEU 12 HB2 LEU 12 11.181 -1.852 3.636 686 HB3 LEU 12 HB1 LEU 12 10.002 -1.118 4.705 687 HG LEU 12 HG LEU 12 11.139 1.107 4.213 688 HD11 LEU 12 HD11 LEU 12 12.353 -0.517 1.982 689 HD12 LEU 12 HD12 LEU 12 13.229 0.214 3.328 690 HD13 LEU 12 HD13 LEU 12 12.420 1.239 2.142 691 HD21 LEU 12 HD21 LEU 12 9.788 -0.382 1.965 692 HD22 LEU 12 HD22 LEU 12 9.961 1.369 2.080 693 HD23 LEU 12 HD23 LEU 12 8.988 0.499 3.266 694 HA PRO 13 HA PRO 13 9.968 1.736 7.908 695 HB2 PRO 13 HB2 PRO 13 9.173 0.270 10.147 696 HB3 PRO 13 HB1 PRO 13 8.140 0.683 8.768 697 HG2 PRO 13 HG2 PRO 13 9.597 -1.843 9.343 698 HG3 PRO 13 HG1 PRO 13 7.989 -1.599 8.629 699 HD2 PRO 13 HD2 PRO 13 10.075 -2.238 7.099 700 HD3 PRO 13 HD1 PRO 13 8.847 -1.083 6.539 701 H GLN 14 HN GLN 14 11.976 -0.865 9.244 702 HA GLN 14 HA GLN 14 12.981 0.841 11.348 703 HB2 GLN 14 HB2 GLN 14 12.661 -1.755 11.377 704 HB3 GLN 14 HB1 GLN 14 14.241 -1.769 10.608 705 HG2 GLN 14 HG2 GLN 14 15.174 -0.527 12.485 706 HG3 GLN 14 HG1 GLN 14 13.591 -0.500 13.257 707 HE21 GLN 14 HE21 GLN 14 14.863 -3.237 11.505 708 HE22 GLN 14 HE22 GLN 14 15.051 -4.273 12.872 709 H LEU 15 HN LEU 15 13.948 -0.201 8.161 710 HA LEU 15 HA LEU 15 16.677 0.489 8.293 711 HB2 LEU 15 HB2 LEU 15 15.616 -0.863 6.487 712 HB3 LEU 15 HB1 LEU 15 14.852 0.596 5.887 713 HG LEU 15 HG LEU 15 17.197 1.540 5.590 714 HD11 LEU 15 HD11 LEU 15 18.402 -0.007 7.003 715 HD12 LEU 15 HD12 LEU 15 18.980 -0.140 5.342 716 HD13 LEU 15 HD13 LEU 15 17.891 -1.362 5.997 717 HD21 LEU 15 HD21 LEU 15 15.727 0.669 3.767 718 HD22 LEU 15 HD22 LEU 15 16.536 -0.890 3.936 719 HD23 LEU 15 HD23 LEU 15 17.454 0.533 3.441 720 H CYS 16 HN CYS 16 13.780 2.333 7.656 721 HA CYS 16 HA CYS 16 14.975 4.699 6.722 722 HB2 CYS 16 HB2 CYS 16 12.404 4.460 8.291 723 HB3 CYS 16 HB1 CYS 16 12.856 5.752 7.184 724 HG CYS 16 HG CYS 16 12.376 2.513 6.181 725 H THR 17 HN THR 17 14.187 3.562 9.975 726 HA THR 17 HA THR 17 14.705 5.915 11.385 727 HB THR 17 HB THR 17 15.326 3.206 12.524 728 HG1 THR 17 HG1 THR 17 12.670 4.104 12.526 729 HG21 THR 17 HG21 THR 17 14.327 4.138 14.530 730 HG22 THR 17 HG22 THR 17 13.888 5.608 13.662 731 HG23 THR 17 HG23 THR 17 15.587 5.220 13.935 732 H GLU 18 HN GLU 18 16.865 3.307 10.356 733 HA GLU 18 HA GLU 18 19.145 4.271 11.760 734 HB2 GLU 18 HB2 GLU 18 19.059 2.465 9.339 735 HB3 GLU 18 HB1 GLU 18 20.411 2.661 10.448 736 HG2 GLU 18 HG2 GLU 18 17.759 1.350 10.954 737 HG3 GLU 18 HG1 GLU 18 19.370 0.644 11.050 738 H LEU 19 HN LEU 19 17.657 5.096 8.780 739 HA LEU 19 HA LEU 19 20.019 6.545 7.853 740 HB2 LEU 19 HB2 LEU 19 17.362 5.915 6.584 741 HB3 LEU 19 HB1 LEU 19 18.492 7.051 5.873 742 HG LEU 19 HG LEU 19 19.072 4.133 6.399 743 HD11 LEU 19 HD11 LEU 19 17.414 4.435 4.630 744 HD12 LEU 19 HD12 LEU 19 18.955 3.881 3.975 745 HD13 LEU 19 HD13 LEU 19 18.486 5.574 3.814 746 HD21 LEU 19 HD21 LEU 19 21.097 5.401 6.513 747 HD22 LEU 19 HD22 LEU 19 20.667 6.314 5.067 748 HD23 LEU 19 HD23 LEU 19 21.048 4.597 4.943 749 H GLN 20 HN GLN 20 17.741 7.091 10.025 750 HA GLN 20 HA GLN 20 16.800 8.905 11.014 751 HB2 GLN 20 HB2 GLN 20 18.840 10.403 9.357 752 HB3 GLN 20 HB1 GLN 20 17.916 11.090 10.684 753 HG2 GLN 20 HG2 GLN 20 19.006 9.717 12.273 754 HG3 GLN 20 HG1 GLN 20 19.740 8.725 11.016 755 HE21 GLN 20 HE21 GLN 20 20.978 10.212 13.196 756 HE22 GLN 20 HE22 GLN 20 22.101 11.299 12.456 757 H THR 21 HN THR 21 15.536 7.894 8.704 758 HA THR 21 HA THR 21 14.105 10.299 7.860 759 HB THR 21 HB THR 21 15.759 9.798 6.083 760 HG1 THR 21 HG1 THR 21 14.309 10.191 4.515 761 HG21 THR 21 HG21 THR 21 14.229 7.223 5.702 762 HG22 THR 21 HG22 THR 21 15.828 7.338 6.429 763 HG23 THR 21 HG23 THR 21 15.595 7.797 4.745 764 H THR 22 HN THR 22 12.271 9.231 6.186 765 HA THR 22 HA THR 22 10.996 7.075 7.739 766 HB THR 22 HB THR 22 8.802 8.139 7.273 767 HG1 THR 22 HG1 THR 22 9.727 10.635 6.769 768 HG21 THR 22 HG21 THR 22 10.809 9.816 8.780 769 HG22 THR 22 HG22 THR 22 9.788 8.537 9.432 770 HG23 THR 22 HG23 THR 22 9.064 10.041 8.866 771 H ILE 23 HN ILE 23 8.984 6.289 6.375 772 HA ILE 23 HA ILE 23 10.030 5.149 3.982 773 HB ILE 23 HB ILE 23 7.118 5.127 4.750 774 HG12 ILE 23 HG12 ILE 23 9.249 3.272 5.832 775 HG13 ILE 23 HG11 ILE 23 8.534 4.594 6.747 776 HG21 ILE 23 HG21 ILE 23 7.157 2.910 3.720 777 HG22 ILE 23 HG22 ILE 23 8.878 3.092 3.384 778 HG23 ILE 23 HG23 ILE 23 7.709 4.150 2.596 779 HD11 ILE 23 HD11 ILE 23 7.535 2.458 7.330 780 HD12 ILE 23 HD12 ILE 23 7.058 2.213 5.649 781 HD13 ILE 23 HD13 ILE 23 6.350 3.531 6.584 782 H HIS 24 HN HIS 24 8.722 8.150 4.609 783 HA HIS 24 HA HIS 24 7.455 8.440 1.992 784 HB2 HIS 24 HB2 HIS 24 7.564 10.221 4.424 785 HB3 HIS 24 HB1 HIS 24 6.900 10.762 2.888 786 HD1 HIS 24 HD1 HIS 24 4.557 11.043 4.099 787 HD2 HIS 24 HD2 HIS 24 6.017 7.152 3.940 788 HE1 HIS 24 HE1 HIS 24 2.619 9.529 4.687 789 H ASP 25 HN ASP 25 10.490 8.805 3.348 790 HA ASP 25 HA ASP 25 11.235 10.747 1.262 791 HB2 ASP 25 HB2 ASP 25 11.453 11.900 3.341 792 HB3 ASP 25 HB1 ASP 25 12.283 10.538 4.084 793 H ILE 26 HN ILE 26 12.224 7.905 3.117 794 HA ILE 26 HA ILE 26 14.769 7.470 2.205 795 HB ILE 26 HB ILE 26 13.603 6.060 3.876 796 HG12 ILE 26 HG12 ILE 26 14.808 4.445 1.625 797 HG13 ILE 26 HG11 ILE 26 15.745 5.388 2.778 798 HG21 ILE 26 HG21 ILE 26 12.359 4.689 1.496 799 HG22 ILE 26 HG22 ILE 26 11.507 5.738 2.628 800 HG23 ILE 26 HG23 ILE 26 12.200 4.217 3.188 801 HD11 ILE 26 HD11 ILE 26 15.717 3.040 3.381 802 HD12 ILE 26 HD12 ILE 26 13.955 3.061 3.445 803 HD13 ILE 26 HD13 ILE 26 14.892 4.007 4.602 804 H ILE 27 HN ILE 27 15.734 6.987 0.345 805 HA ILE 27 HA ILE 27 14.016 6.467 -1.981 806 HB ILE 27 HB ILE 27 16.763 7.697 -1.803 807 HG12 ILE 27 HG12 ILE 27 14.838 9.157 -1.258 808 HG13 ILE 27 HG11 ILE 27 15.676 9.673 -2.718 809 HG21 ILE 27 HG21 ILE 27 16.516 6.162 -3.770 810 HG22 ILE 27 HG22 ILE 27 16.842 7.845 -4.181 811 HG23 ILE 27 HG23 ILE 27 15.207 7.200 -4.336 812 HD11 ILE 27 HD11 ILE 27 12.958 8.528 -2.388 813 HD12 ILE 27 HD12 ILE 27 13.837 8.193 -3.881 814 HD13 ILE 27 HD13 ILE 27 13.516 9.859 -3.403 815 H LEU 28 HN LEU 28 13.966 4.457 -2.671 816 HA LEU 28 HA LEU 28 16.427 2.850 -2.540 817 HB2 LEU 28 HB2 LEU 28 13.764 2.271 -1.517 818 HB3 LEU 28 HB1 LEU 28 14.305 1.044 -2.646 819 HG LEU 28 HG LEU 28 16.424 0.871 -1.259 820 HD11 LEU 28 HD11 LEU 28 16.211 3.002 -0.085 821 HD12 LEU 28 HD12 LEU 28 16.311 1.648 1.040 822 HD13 LEU 28 HD13 LEU 28 14.756 2.414 0.718 823 HD21 LEU 28 HD21 LEU 28 13.738 0.111 -0.138 824 HD22 LEU 28 HD22 LEU 28 15.266 -0.443 0.550 825 HD23 LEU 28 HD23 LEU 28 14.836 -0.877 -1.104 826 H GLU 29 HN GLU 29 16.873 1.574 -4.342 827 HA GLU 29 HA GLU 29 15.280 2.230 -6.732 828 HB2 GLU 29 HB2 GLU 29 18.105 1.229 -6.830 829 HB3 GLU 29 HB1 GLU 29 17.237 2.197 -8.012 830 HG2 GLU 29 HG2 GLU 29 17.339 4.124 -6.537 831 HG3 GLU 29 HG1 GLU 29 18.156 3.155 -5.312 832 H CYS 30 HN CYS 30 15.311 0.500 -8.443 833 HA CYS 30 HA CYS 30 14.439 -1.967 -7.343 834 HB2 CYS 30 HB2 CYS 30 13.573 -1.126 -9.480 835 HB3 CYS 30 HB1 CYS 30 15.169 -1.287 -10.203 836 H VAL 31 HN VAL 31 15.434 -3.927 -7.173 837 HA VAL 31 HA VAL 31 18.277 -3.941 -7.018 838 HB VAL 31 HB VAL 31 16.805 -5.278 -5.531 839 HG11 VAL 31 HG11 VAL 31 16.381 -6.963 -7.992 840 HG12 VAL 31 HG12 VAL 31 15.157 -6.048 -7.110 841 HG13 VAL 31 HG13 VAL 31 15.936 -7.438 -6.353 842 HG21 VAL 31 HG21 VAL 31 18.188 -7.338 -5.562 843 HG22 VAL 31 HG22 VAL 31 19.131 -5.849 -5.634 844 HG23 VAL 31 HG23 VAL 31 18.878 -6.805 -7.093 845 H TYR 32 HN TYR 32 16.042 -4.618 -9.544 846 HA TYR 32 HA TYR 32 18.098 -6.082 -11.051 847 HB2 TYR 32 HB2 TYR 32 15.119 -5.853 -11.449 848 HB3 TYR 32 HB1 TYR 32 16.195 -6.604 -12.623 849 HD1 TYR 32 HD2 TYR 32 17.949 -8.290 -11.267 850 HD2 TYR 32 HD1 TYR 32 13.931 -7.375 -10.222 851 HE1 TYR 32 HE2 TYR 32 17.785 -10.424 -10.057 852 HE2 TYR 32 HE1 TYR 32 13.754 -9.504 -9.010 853 HH TYR 32 HH TYR 32 14.999 -11.852 -9.223 854 H CYS 33 HN CYS 33 15.726 -3.457 -11.512 855 HA CYS 33 HA CYS 33 17.030 -2.641 -13.955 856 HB2 CYS 33 HB2 CYS 33 14.791 -1.295 -12.436 857 HB3 CYS 33 HB1 CYS 33 15.285 -0.954 -14.091 858 H LYS 34 HN LYS 34 17.157 -1.796 -10.619 859 HA LYS 34 HA LYS 34 18.453 -0.379 -9.425 860 HB2 LYS 34 HB2 LYS 34 19.942 -0.513 -11.999 861 HB3 LYS 34 HB1 LYS 34 20.399 0.733 -10.850 862 HG2 LYS 34 HG2 LYS 34 21.819 -1.091 -10.428 863 HG3 LYS 34 HG1 LYS 34 20.623 -1.110 -9.133 864 HD2 LYS 34 HD2 LYS 34 19.475 -2.934 -10.079 865 HD3 LYS 34 HD1 LYS 34 20.296 -2.748 -11.628 866 HE2 LYS 34 HE2 LYS 34 21.682 -3.513 -9.063 867 HE3 LYS 34 HE1 LYS 34 21.100 -4.673 -10.255 868 HZ1 LYS 34 HZ1 LYS 34 23.111 -2.550 -10.763 869 HZ2 LYS 34 HZ2 LYS 34 22.574 -3.692 -11.886 870 HZ3 LYS 34 HZ3 LYS 34 23.456 -4.188 -10.532 871 H GLN 35 HN GLN 35 16.127 0.571 -11.081 872 HA GLN 35 HA GLN 35 16.816 3.398 -11.357 873 HB2 GLN 35 HB2 GLN 35 14.873 3.673 -12.662 874 HB3 GLN 35 HB1 GLN 35 15.537 2.130 -13.174 875 HG2 GLN 35 HG2 GLN 35 13.922 0.979 -11.722 876 HG3 GLN 35 HG1 GLN 35 13.233 2.540 -11.282 877 HE21 GLN 35 HE21 GLN 35 13.717 3.511 -14.073 878 HE22 GLN 35 HE22 GLN 35 12.441 2.815 -15.007 879 H GLN 36 HN GLN 36 15.471 5.014 -10.355 880 HA GLN 36 HA GLN 36 14.949 4.477 -7.636 881 HB2 GLN 36 HB2 GLN 36 14.391 6.813 -9.436 882 HB3 GLN 36 HB1 GLN 36 13.778 6.789 -7.789 883 HG2 GLN 36 HG2 GLN 36 16.076 6.496 -6.961 884 HG3 GLN 36 HG1 GLN 36 16.665 6.595 -8.618 885 HE21 GLN 36 HE21 GLN 36 14.004 8.533 -7.477 886 HE22 GLN 36 HE22 GLN 36 14.842 10.043 -7.483 887 H LEU 37 HN LEU 37 13.221 3.754 -6.624 888 HA LEU 37 HA LEU 37 10.907 2.941 -8.116 889 HB2 LEU 37 HB2 LEU 37 12.108 2.338 -5.574 890 HB3 LEU 37 HB1 LEU 37 10.408 2.697 -5.351 891 HG LEU 37 HG LEU 37 10.052 0.997 -7.291 892 HD11 LEU 37 HD11 LEU 37 11.748 -0.786 -7.303 893 HD12 LEU 37 HD12 LEU 37 12.790 0.224 -6.299 894 HD13 LEU 37 HD13 LEU 37 12.366 0.741 -7.931 895 HD21 LEU 37 HD21 LEU 37 10.870 0.193 -4.506 896 HD22 LEU 37 HD22 LEU 37 10.007 -0.844 -5.639 897 HD23 LEU 37 HD23 LEU 37 9.253 0.637 -5.050 898 H LEU 38 HN LEU 38 8.853 3.740 -7.995 899 HA LEU 38 HA LEU 38 8.548 6.489 -7.267 900 HB2 LEU 38 HB2 LEU 38 6.395 4.484 -7.961 901 HB3 LEU 38 HB1 LEU 38 6.242 6.228 -7.990 902 HG LEU 38 HG LEU 38 8.084 4.673 -9.806 903 HD11 LEU 38 HD11 LEU 38 5.336 5.784 -10.343 904 HD12 LEU 38 HD12 LEU 38 5.782 4.080 -10.279 905 HD13 LEU 38 HD13 LEU 38 6.423 5.111 -11.557 906 HD21 LEU 38 HD21 LEU 38 8.802 6.955 -9.473 907 HD22 LEU 38 HD22 LEU 38 7.175 7.547 -9.807 908 HD23 LEU 38 HD23 LEU 38 8.115 6.779 -11.087 909 H ARG 39 HN ARG 39 7.444 7.348 -5.513 910 HA ARG 39 HA ARG 39 7.591 6.029 -3.085 911 HB2 ARG 39 HB2 ARG 39 7.400 8.498 -3.417 912 HB3 ARG 39 HB1 ARG 39 5.688 8.278 -3.737 913 HG2 ARG 39 HG2 ARG 39 6.062 9.009 -1.452 914 HG3 ARG 39 HG1 ARG 39 5.367 7.387 -1.489 915 HD2 ARG 39 HD2 ARG 39 7.185 7.628 0.167 916 HD3 ARG 39 HD1 ARG 39 7.523 6.404 -1.052 917 HE ARG 39 HE ARG 39 8.600 8.966 -1.737 918 HH11 ARG 39 HH11 ARG 39 9.171 6.109 0.215 919 HH12 ARG 39 HH12 ARG 39 10.901 6.277 0.162 920 HH21 ARG 39 HH21 ARG 39 10.869 9.191 -1.765 921 HH22 ARG 39 HH22 ARG 39 11.859 8.031 -0.931 922 H ARG 40 HN ARG 40 4.925 6.174 -5.362 923 HA ARG 40 HA ARG 40 2.922 5.098 -3.719 924 HB2 ARG 40 HB2 ARG 40 3.339 5.222 -6.684 925 HB3 ARG 40 HB1 ARG 40 2.011 4.275 -6.029 926 HG2 ARG 40 HG2 ARG 40 2.311 7.058 -5.061 927 HG3 ARG 40 HG1 ARG 40 1.748 6.824 -6.715 928 HD2 ARG 40 HD2 ARG 40 0.108 6.913 -4.598 929 HD3 ARG 40 HD1 ARG 40 -0.250 5.999 -6.059 930 HE ARG 40 HE ARG 40 0.663 4.022 -4.850 931 HH11 ARG 40 HH11 ARG 40 -0.557 6.756 -3.040 932 HH12 ARG 40 HH12 ARG 40 -0.971 5.817 -1.636 933 HH21 ARG 40 HH21 ARG 40 0.130 2.778 -3.018 934 HH22 ARG 40 HH22 ARG 40 -0.556 3.552 -1.622 935 H GLU 41 HN GLU 41 5.337 3.537 -5.777 936 HA GLU 41 HA GLU 41 4.327 0.900 -5.351 937 HB2 GLU 41 HB2 GLU 41 7.057 1.771 -6.326 938 HB3 GLU 41 HB1 GLU 41 6.387 0.149 -6.446 939 HG2 GLU 41 HG2 GLU 41 5.591 2.623 -7.925 940 HG3 GLU 41 HG1 GLU 41 6.084 1.057 -8.565 941 H VAL 42 HN VAL 42 6.562 3.001 -3.706 942 HA VAL 42 HA VAL 42 7.906 1.081 -2.138 943 HB VAL 42 HB VAL 42 7.238 3.950 -1.412 944 HG11 VAL 42 HG11 VAL 42 9.153 3.806 0.104 945 HG12 VAL 42 HG12 VAL 42 9.361 2.107 -0.316 946 HG13 VAL 42 HG13 VAL 42 7.908 2.632 0.536 947 HG21 VAL 42 HG21 VAL 42 8.460 3.793 -3.520 948 HG22 VAL 42 HG22 VAL 42 9.686 2.792 -2.743 949 HG23 VAL 42 HG23 VAL 42 9.480 4.471 -2.250 950 H TYR 43 HN TYR 43 4.814 2.682 -1.838 951 HA TYR 43 HA TYR 43 4.230 1.834 0.811 952 HB2 TYR 43 HB2 TYR 43 2.436 2.719 -1.454 953 HB3 TYR 43 HB1 TYR 43 1.845 2.353 0.161 954 HD1 TYR 43 HD1 TYR 43 3.782 3.581 1.922 955 HD2 TYR 43 HD2 TYR 43 2.251 4.994 -1.783 956 HE1 TYR 43 HE1 TYR 43 4.251 5.889 2.617 957 HE2 TYR 43 HE2 TYR 43 2.719 7.307 -1.099 958 HH TYR 43 HH TYR 43 4.348 8.020 1.961 959 H ASP 44 HN ASP 44 3.695 0.490 -2.386 960 HA ASP 44 HA ASP 44 1.994 -1.649 -1.635 961 HB2 ASP 44 HB2 ASP 44 2.301 -0.790 -3.970 962 HB3 ASP 44 HB1 ASP 44 3.907 -1.501 -3.981 963 H PHE 45 HN PHE 45 5.470 -1.285 -1.929 964 HA PHE 45 HA PHE 45 6.239 -3.950 -1.515 965 HB2 PHE 45 HB2 PHE 45 7.745 -2.179 -2.353 966 HB3 PHE 45 HB1 PHE 45 7.701 -1.401 -0.778 967 HD1 PHE 45 HD1 PHE 45 8.863 -4.371 -2.615 968 HD2 PHE 45 HD2 PHE 45 9.081 -2.141 1.001 969 HE1 PHE 45 HE1 PHE 45 10.808 -5.704 -1.911 970 HE2 PHE 45 HE2 PHE 45 11.024 -3.468 1.711 971 HZ PHE 45 HZ PHE 45 11.892 -5.254 0.255 972 H ALA 46 HN ALA 46 5.655 -1.300 0.759 973 HA ALA 46 HA ALA 46 6.288 -2.947 3.053 974 HB1 ALA 46 HB1 ALA 46 5.184 -0.143 2.892 975 HB2 ALA 46 HB2 ALA 46 6.878 -0.591 3.090 976 HB3 ALA 46 HB3 ALA 46 5.715 -0.953 4.363 977 H PHE 47 HN PHE 47 3.582 -2.407 1.115 978 HA PHE 47 HA PHE 47 1.551 -2.739 3.116 979 HB2 PHE 47 HB2 PHE 47 1.393 -1.626 0.749 980 HB3 PHE 47 HB1 PHE 47 1.119 -3.273 0.191 981 HD1 PHE 47 HD1 PHE 47 -0.234 -0.491 2.138 982 HD2 PHE 47 HD2 PHE 47 -0.923 -4.444 0.718 983 HE1 PHE 47 HE1 PHE 47 -2.617 -0.284 2.716 984 HE2 PHE 47 HE2 PHE 47 -3.303 -4.241 1.293 985 HZ PHE 47 HZ PHE 47 -4.154 -2.161 2.294 986 H ARG 48 HN ARG 48 3.071 -4.768 0.659 987 HA ARG 48 HA ARG 48 1.634 -7.125 1.583 988 HB2 ARG 48 HB2 ARG 48 3.838 -7.037 -0.473 989 HB3 ARG 48 HB1 ARG 48 2.606 -8.270 -0.265 990 HG2 ARG 48 HG2 ARG 48 0.906 -6.534 -0.901 991 HG3 ARG 48 HG1 ARG 48 2.259 -5.486 -1.341 992 HD2 ARG 48 HD2 ARG 48 2.798 -7.953 -2.535 993 HD3 ARG 48 HD1 ARG 48 1.080 -7.670 -2.806 994 HE ARG 48 HE ARG 48 2.095 -5.318 -3.538 995 HH11 ARG 48 HH11 ARG 48 3.180 -8.580 -4.279 996 HH12 ARG 48 HH12 ARG 48 3.818 -8.152 -5.834 997 HH21 ARG 48 HH21 ARG 48 2.925 -4.748 -5.584 998 HH22 ARG 48 HH22 ARG 48 3.658 -5.974 -6.580 999 H ASP 49 HN ASP 49 3.713 -9.027 1.139 1000 HA ASP 49 HA ASP 49 5.501 -8.381 3.385 1001 HB2 ASP 49 HB2 ASP 49 3.808 -10.188 3.856 1002 HB3 ASP 49 HB1 ASP 49 4.597 -11.156 2.615 1003 H LEU 50 HN LEU 50 7.113 -7.572 2.105 1004 HA LEU 50 HA LEU 50 8.600 -9.592 0.579 1005 HB2 LEU 50 HB2 LEU 50 8.209 -6.702 -0.221 1006 HB3 LEU 50 HB1 LEU 50 9.235 -7.857 -1.050 1007 HG LEU 50 HG LEU 50 6.546 -8.877 -0.845 1008 HD11 LEU 50 HD11 LEU 50 5.431 -7.262 -2.279 1009 HD12 LEU 50 HD12 LEU 50 6.845 -6.212 -2.218 1010 HD13 LEU 50 HD13 LEU 50 5.912 -6.519 -0.755 1011 HD21 LEU 50 HD21 LEU 50 8.271 -8.095 -3.190 1012 HD22 LEU 50 HD22 LEU 50 6.802 -9.068 -3.271 1013 HD23 LEU 50 HD23 LEU 50 8.219 -9.679 -2.416 1014 H CYS 51 HN CYS 51 10.773 -9.578 0.936 1015 HA CYS 51 HA CYS 51 11.700 -7.861 3.100 1016 HB2 CYS 51 HB2 CYS 51 13.100 -10.176 1.743 1017 HB3 CYS 51 HB1 CYS 51 13.595 -9.381 3.236 1018 HG CYS 51 HG CYS 51 10.581 -10.269 3.829 1019 H ILE 52 HN ILE 52 13.864 -6.870 2.933 1020 HA ILE 52 HA ILE 52 14.075 -5.407 0.465 1021 HB ILE 52 HB ILE 52 15.876 -5.320 2.894 1022 HG12 ILE 52 HG12 ILE 52 13.574 -3.512 2.122 1023 HG13 ILE 52 HG11 ILE 52 13.518 -4.738 3.386 1024 HG21 ILE 52 HG21 ILE 52 17.078 -3.704 1.908 1025 HG22 ILE 52 HG22 ILE 52 15.652 -2.941 1.206 1026 HG23 ILE 52 HG23 ILE 52 16.397 -4.323 0.403 1027 HD11 ILE 52 HD11 ILE 52 15.197 -2.247 3.340 1028 HD12 ILE 52 HD12 ILE 52 15.337 -3.517 4.557 1029 HD13 ILE 52 HD13 ILE 52 13.837 -2.607 4.400 1030 H VAL 53 HN VAL 53 15.384 -5.779 -1.169 1031 HA VAL 53 HA VAL 53 17.210 -8.044 -1.030 1032 HB VAL 53 HB VAL 53 17.372 -7.024 -3.607 1033 HG11 VAL 53 HG11 VAL 53 17.259 -9.369 -3.056 1034 HG12 VAL 53 HG12 VAL 53 15.984 -8.976 -4.210 1035 HG13 VAL 53 HG13 VAL 53 15.591 -9.194 -2.504 1036 HG21 VAL 53 HG21 VAL 53 15.058 -6.725 -4.344 1037 HG22 VAL 53 HG22 VAL 53 15.524 -5.487 -3.176 1038 HG23 VAL 53 HG23 VAL 53 14.508 -6.839 -2.673 1039 H TYR 54 HN TYR 54 19.234 -7.664 -0.468 1040 HA TYR 54 HA TYR 54 20.359 -5.001 -0.876 1041 HB2 TYR 54 HB2 TYR 54 21.105 -7.346 0.844 1042 HB3 TYR 54 HB1 TYR 54 22.290 -6.096 0.485 1043 HD1 TYR 54 HD1 TYR 54 18.928 -6.647 1.962 1044 HD2 TYR 54 HD2 TYR 54 22.328 -4.103 1.703 1045 HE1 TYR 54 HE1 TYR 54 18.043 -5.288 3.807 1046 HE2 TYR 54 HE2 TYR 54 21.452 -2.735 3.549 1047 HH TYR 54 HH TYR 54 18.678 -3.730 5.416 1048 H ARG 55 HN ARG 55 21.302 -4.709 -2.792 1049 HA ARG 55 HA ARG 55 22.578 -6.964 -4.111 1050 HB2 ARG 55 HB2 ARG 55 21.219 -4.796 -5.103 1051 HB3 ARG 55 HB1 ARG 55 22.893 -4.302 -5.333 1052 HG2 ARG 55 HG2 ARG 55 21.743 -6.909 -6.304 1053 HG3 ARG 55 HG1 ARG 55 21.893 -5.453 -7.290 1054 HD2 ARG 55 HD2 ARG 55 24.167 -5.616 -7.423 1055 HD3 ARG 55 HD1 ARG 55 24.308 -6.449 -5.876 1056 HE ARG 55 HE ARG 55 23.044 -7.936 -8.035 1057 HH11 ARG 55 HH11 ARG 55 25.962 -7.293 -6.216 1058 HH12 ARG 55 HH12 ARG 55 26.742 -8.765 -6.686 1059 HH21 ARG 55 HH21 ARG 55 24.059 -9.887 -8.654 1060 HH22 ARG 55 HH22 ARG 55 25.654 -10.253 -8.076 1061 H ASP 56 HN ASP 56 24.406 -7.482 -3.208 1062 HA ASP 56 HA ASP 56 26.580 -7.464 -2.622 1063 HB2 ASP 56 HB2 ASP 56 26.548 -5.737 -4.711 1064 HB3 ASP 56 HB1 ASP 56 27.181 -4.697 -3.436 1065 H GLY 57 HN GLY 57 26.188 -3.961 -2.193 1066 HA2 GLY 57 HA2 GLY 57 26.123 -4.403 0.715 1067 HA3 GLY 57 HA1 GLY 57 27.378 -3.381 0.031 1068 H ASN 58 HN ASN 58 24.283 -3.299 -1.484 1069 HA ASN 58 HA ASN 58 23.602 -0.862 0.012 1070 HB2 ASN 58 HB2 ASN 58 24.744 -0.319 -2.167 1071 HB3 ASN 58 HB1 ASN 58 23.386 -1.075 -2.993 1072 HD21 ASN 58 HD21 ASN 58 21.588 0.094 -3.331 1073 HD22 ASN 58 HD22 ASN 58 21.327 1.699 -2.749 1074 HA PRO 59 HA PRO 59 19.641 -2.842 0.206 1075 HB2 PRO 59 HB2 PRO 59 18.206 -0.709 1.110 1076 HB3 PRO 59 HB1 PRO 59 19.306 -1.635 2.147 1077 HG2 PRO 59 HG2 PRO 59 19.759 0.971 0.779 1078 HG3 PRO 59 HG1 PRO 59 20.197 0.469 2.426 1079 HD2 PRO 59 HD2 PRO 59 21.988 0.513 0.402 1080 HD3 PRO 59 HD1 PRO 59 22.071 -0.669 1.724 1081 H TYR 60 HN TYR 60 18.425 -3.285 -1.508 1082 HA TYR 60 HA TYR 60 17.480 -1.059 -3.188 1083 HB2 TYR 60 HB2 TYR 60 18.542 -3.762 -3.969 1084 HB3 TYR 60 HB1 TYR 60 17.391 -2.930 -5.007 1085 HD1 TYR 60 HD2 TYR 60 18.020 -0.901 -6.190 1086 HD2 TYR 60 HD1 TYR 60 20.813 -2.930 -3.711 1087 HE1 TYR 60 HE2 TYR 60 19.852 0.375 -7.219 1088 HE2 TYR 60 HE1 TYR 60 22.653 -1.661 -4.737 1089 HH TYR 60 HH TYR 60 22.098 1.069 -6.749 1090 H ALA 61 HN ALA 61 15.448 -1.601 -4.366 1091 HA ALA 61 HA ALA 61 13.729 -3.301 -2.681 1092 HB1 ALA 61 HB1 ALA 61 13.210 -0.951 -2.336 1093 HB2 ALA 61 HB2 ALA 61 11.884 -1.753 -3.173 1094 HB3 ALA 61 HB3 ALA 61 12.998 -0.725 -4.072 1095 H VAL 62 HN VAL 62 11.480 -3.373 -4.116 1096 HA VAL 62 HA VAL 62 12.283 -4.604 -6.668 1097 HB VAL 62 HB VAL 62 9.821 -5.334 -5.077 1098 HG11 VAL 62 HG11 VAL 62 9.909 -5.926 -7.475 1099 HG12 VAL 62 HG12 VAL 62 9.832 -7.334 -6.412 1100 HG13 VAL 62 HG13 VAL 62 11.365 -6.872 -7.155 1101 HG21 VAL 62 HG21 VAL 62 12.481 -6.749 -4.981 1102 HG22 VAL 62 HG22 VAL 62 11.003 -7.214 -4.137 1103 HG23 VAL 62 HG23 VAL 62 11.839 -5.724 -3.698 1104 H CYS 63 HN CYS 63 11.521 -3.529 -8.415 1105 HA CYS 63 HA CYS 63 9.566 -1.449 -8.081 1106 HB2 CYS 63 HB2 CYS 63 9.941 -0.924 -10.417 1107 HB3 CYS 63 HB1 CYS 63 11.489 -1.172 -9.618 1108 H ASP 64 HN ASP 64 7.779 -1.286 -9.755 1109 HA ASP 64 HA ASP 64 5.803 -3.108 -9.278 1110 HB2 ASP 64 HB2 ASP 64 5.162 -1.027 -10.161 1111 HB3 ASP 64 HB1 ASP 64 6.226 -1.186 -11.552 1112 H LYS 65 HN LYS 65 8.182 -3.217 -11.876 1113 HA LYS 65 HA LYS 65 6.956 -5.185 -13.467 1114 HB2 LYS 65 HB2 LYS 65 9.929 -4.829 -13.135 1115 HB3 LYS 65 HB1 LYS 65 9.069 -5.443 -14.541 1116 HG2 LYS 65 HG2 LYS 65 8.066 -3.204 -14.851 1117 HG3 LYS 65 HG1 LYS 65 9.048 -2.616 -13.505 1118 HD2 LYS 65 HD2 LYS 65 10.941 -3.807 -15.026 1119 HD3 LYS 65 HD1 LYS 65 9.815 -3.263 -16.274 1120 HE2 LYS 65 HE2 LYS 65 11.320 -1.478 -15.990 1121 HE3 LYS 65 HE1 LYS 65 9.872 -1.000 -15.107 1122 HZ1 LYS 65 HZ1 LYS 65 11.011 -1.921 -13.076 1123 HZ2 LYS 65 HZ2 LYS 65 11.686 -0.507 -13.722 1124 HZ3 LYS 65 HZ3 LYS 65 12.429 -2.006 -14.000 1125 H CYS 66 HN CYS 66 9.663 -5.590 -11.163 1126 HA CYS 66 HA CYS 66 9.449 -8.431 -11.239 1127 HB2 CYS 66 HB2 CYS 66 10.894 -7.536 -8.940 1128 HB3 CYS 66 HB1 CYS 66 11.511 -8.266 -10.418 1129 H LEU 67 HN LEU 67 8.097 -5.931 -9.224 1130 HA LEU 67 HA LEU 67 7.468 -7.267 -6.905 1131 HB2 LEU 67 HB2 LEU 67 6.297 -4.991 -8.365 1132 HB3 LEU 67 HB1 LEU 67 5.236 -5.768 -7.213 1133 HG LEU 67 HG LEU 67 7.940 -4.586 -6.567 1134 HD11 LEU 67 HD11 LEU 67 6.406 -2.829 -7.054 1135 HD12 LEU 67 HD12 LEU 67 6.525 -2.945 -5.295 1136 HD13 LEU 67 HD13 LEU 67 5.125 -3.617 -6.134 1137 HD21 LEU 67 HD21 LEU 67 7.487 -6.417 -5.079 1138 HD22 LEU 67 HD22 LEU 67 5.830 -5.867 -4.838 1139 HD23 LEU 67 HD23 LEU 67 7.173 -4.912 -4.213 1140 H LYS 68 HN LYS 68 5.512 -7.204 -9.878 1141 HA LYS 68 HA LYS 68 3.564 -8.999 -8.726 1142 HB2 LYS 68 HB2 LYS 68 2.584 -8.951 -11.037 1143 HB3 LYS 68 HB1 LYS 68 2.717 -7.386 -10.251 1144 HG2 LYS 68 HG2 LYS 68 4.987 -7.267 -11.546 1145 HG3 LYS 68 HG1 LYS 68 4.217 -8.477 -12.577 1146 HD2 LYS 68 HD2 LYS 68 2.346 -6.984 -12.977 1147 HD3 LYS 68 HD1 LYS 68 3.038 -5.789 -11.876 1148 HE2 LYS 68 HE2 LYS 68 5.085 -5.826 -13.398 1149 HE3 LYS 68 HE1 LYS 68 4.065 -6.677 -14.555 1150 HZ1 LYS 68 HZ1 LYS 68 2.473 -4.709 -14.168 1151 HZ2 LYS 68 HZ2 LYS 68 3.822 -4.487 -15.161 1152 HZ3 LYS 68 HZ3 LYS 68 3.846 -3.912 -13.569 1153 H PHE 69 HN PHE 69 6.456 -9.310 -10.615 1154 HA PHE 69 HA PHE 69 5.815 -11.919 -11.617 1155 HB2 PHE 69 HB2 PHE 69 8.228 -10.167 -11.734 1156 HB3 PHE 69 HB1 PHE 69 8.401 -11.885 -12.078 1157 HD1 PHE 69 HD1 PHE 69 6.113 -12.648 -13.564 1158 HD2 PHE 69 HD2 PHE 69 8.249 -8.965 -13.710 1159 HE1 PHE 69 HE1 PHE 69 5.325 -12.280 -15.861 1160 HE2 PHE 69 HE2 PHE 69 7.457 -8.597 -16.013 1161 HZ PHE 69 HZ PHE 69 5.992 -10.259 -17.089 1162 H TYR 70 HN TYR 70 7.356 -10.695 -8.764 1163 HA TYR 70 HA TYR 70 8.254 -13.397 -8.065 1164 HB2 TYR 70 HB2 TYR 70 9.049 -10.663 -7.114 1165 HB3 TYR 70 HB1 TYR 70 9.404 -12.093 -6.148 1166 HD1 TYR 70 HD1 TYR 70 9.969 -10.521 -9.449 1167 HD2 TYR 70 HD2 TYR 70 11.219 -13.506 -6.688 1168 HE1 TYR 70 HE1 TYR 70 11.976 -10.928 -10.811 1169 HE2 TYR 70 HE2 TYR 70 13.229 -13.921 -8.039 1170 HH TYR 70 HH TYR 70 13.917 -13.636 -10.449 Start of MODEL 12 1 H MET 1 HT1 MET 1 -25.543 -0.427 -1.709 2 HA MET 1 HA MET 1 -25.407 0.014 0.648 3 HB2 MET 1 HB2 MET 1 -27.641 -0.518 -0.787 4 HB3 MET 1 HB1 MET 1 -27.809 -1.716 0.487 5 HG2 MET 1 HG2 MET 1 -27.264 1.142 1.163 6 HG3 MET 1 HG1 MET 1 -28.896 0.606 0.765 7 HE1 MET 1 HE1 MET 1 -30.031 1.160 2.972 8 HE2 MET 1 HE2 MET 1 -28.549 1.954 3.504 9 HE3 MET 1 HE3 MET 1 -29.363 0.805 4.565 10 H PHE 2 HN PHE 2 -25.626 -0.812 2.830 11 HA PHE 2 HA PHE 2 -25.228 -3.698 3.125 12 HB2 PHE 2 HB2 PHE 2 -23.083 -1.979 3.253 13 HB3 PHE 2 HB1 PHE 2 -23.564 -2.097 4.942 14 HD1 PHE 2 HD1 PHE 2 -23.528 -4.590 2.171 15 HD2 PHE 2 HD2 PHE 2 -22.093 -3.505 6.028 16 HE1 PHE 2 HE1 PHE 2 -22.363 -6.751 2.341 17 HE2 PHE 2 HE2 PHE 2 -20.924 -5.663 6.205 18 HZ PHE 2 HZ PHE 2 -21.058 -7.287 4.359 19 H GLN 3 HN GLN 3 -26.713 -4.393 4.470 20 HA GLN 3 HA GLN 3 -27.655 -2.588 6.595 21 HB2 GLN 3 HB2 GLN 3 -29.112 -4.325 4.667 22 HB3 GLN 3 HB1 GLN 3 -29.780 -4.165 6.284 23 HG2 GLN 3 HG2 GLN 3 -29.029 -1.742 4.711 24 HG3 GLN 3 HG1 GLN 3 -30.564 -2.561 4.425 25 HE21 GLN 3 HE21 GLN 3 -32.128 -2.552 6.014 26 HE22 GLN 3 HE22 GLN 3 -32.078 -1.466 7.360 27 H ASP 4 HN ASP 4 -29.314 -4.460 7.852 28 HA ASP 4 HA ASP 4 -27.523 -5.699 9.623 29 HB2 ASP 4 HB2 ASP 4 -29.375 -6.127 10.885 30 HB3 ASP 4 HB1 ASP 4 -30.130 -5.007 9.761 31 HA PRO 5 HA PRO 5 -27.944 -7.471 11.084 32 HB2 PRO 5 HB2 PRO 5 -26.505 -9.553 11.961 33 HB3 PRO 5 HB1 PRO 5 -28.195 -9.754 11.453 34 HG2 PRO 5 HG2 PRO 5 -25.695 -10.438 9.995 35 HG3 PRO 5 HG1 PRO 5 -27.232 -11.315 10.073 36 HD2 PRO 5 HD2 PRO 5 -26.450 -9.659 7.993 37 HD3 PRO 5 HD1 PRO 5 -28.117 -10.151 8.342 38 H GLN 6 HN GLN 6 -25.805 -6.813 8.850 39 HA GLN 6 HA GLN 6 -23.380 -6.774 10.422 40 HB2 GLN 6 HB2 GLN 6 -23.915 -5.541 7.716 41 HB3 GLN 6 HB1 GLN 6 -22.339 -5.778 8.459 42 HG2 GLN 6 HG2 GLN 6 -24.233 -7.981 7.668 43 HG3 GLN 6 HG1 GLN 6 -22.847 -7.442 6.724 44 HE21 GLN 6 HE21 GLN 6 -21.846 -9.439 6.805 45 HE22 GLN 6 HE22 GLN 6 -21.130 -10.064 8.247 46 H GLU 7 HN GLU 7 -22.886 -5.243 11.808 47 HA GLU 7 HA GLU 7 -24.460 -2.870 12.067 48 HB2 GLU 7 HB2 GLU 7 -23.278 -4.241 13.904 49 HB3 GLU 7 HB1 GLU 7 -21.832 -3.355 13.445 50 HG2 GLU 7 HG2 GLU 7 -23.227 -1.245 13.826 51 HG3 GLU 7 HG1 GLU 7 -24.370 -2.307 14.647 52 H ARG 8 HN ARG 8 -22.031 -3.645 9.997 53 HA ARG 8 HA ARG 8 -20.747 -2.502 8.533 54 HB2 ARG 8 HB2 ARG 8 -22.411 -0.174 9.494 55 HB3 ARG 8 HB1 ARG 8 -21.264 -0.074 8.162 56 HG2 ARG 8 HG2 ARG 8 -22.531 -1.596 6.853 57 HG3 ARG 8 HG1 ARG 8 -23.568 -2.010 8.222 58 HD2 ARG 8 HD2 ARG 8 -23.383 0.703 6.910 59 HD3 ARG 8 HD1 ARG 8 -24.663 -0.478 6.634 60 HE ARG 8 HE ARG 8 -24.156 0.890 9.199 61 HH11 ARG 8 HH11 ARG 8 -26.341 -0.658 6.931 62 HH12 ARG 8 HH12 ARG 8 -27.748 -0.372 7.905 63 HH21 ARG 8 HH21 ARG 8 -26.005 1.265 10.476 64 HH22 ARG 8 HH22 ARG 8 -27.554 0.714 9.926 65 HA PRO 9 HA PRO 9 -17.782 -1.350 11.830 66 HB2 PRO 9 HB2 PRO 9 -15.670 -2.623 10.692 67 HB3 PRO 9 HB1 PRO 9 -16.871 -3.469 11.689 68 HG2 PRO 9 HG2 PRO 9 -16.644 -3.336 8.722 69 HG3 PRO 9 HG1 PRO 9 -17.023 -4.720 9.768 70 HD2 PRO 9 HD2 PRO 9 -18.922 -3.332 8.426 71 HD3 PRO 9 HD1 PRO 9 -19.224 -4.127 9.984 72 H ARG 10 HN ARG 10 -15.949 0.037 11.784 73 HA ARG 10 HA ARG 10 -15.899 1.751 9.431 74 HB2 ARG 10 HB2 ARG 10 -14.926 2.042 12.254 75 HB3 ARG 10 HB1 ARG 10 -14.363 3.135 11.001 76 HG2 ARG 10 HG2 ARG 10 -17.281 2.692 11.550 77 HG3 ARG 10 HG1 ARG 10 -16.324 3.905 12.397 78 HD2 ARG 10 HD2 ARG 10 -15.694 4.846 10.160 79 HD3 ARG 10 HD1 ARG 10 -16.857 3.735 9.436 80 HE ARG 10 HE ARG 10 -18.327 5.042 11.306 81 HH11 ARG 10 HH11 ARG 10 -16.298 6.104 8.649 82 HH12 ARG 10 HH12 ARG 10 -17.169 7.589 8.417 83 HH21 ARG 10 HH21 ARG 10 -19.485 6.980 10.977 84 HH22 ARG 10 HH22 ARG 10 -18.981 8.082 9.736 85 H LYS 11 HN LYS 11 -14.019 -0.721 10.871 86 HA LYS 11 HA LYS 11 -11.533 0.134 9.646 87 HB2 LYS 11 HB2 LYS 11 -12.345 -2.217 11.325 88 HB3 LYS 11 HB1 LYS 11 -10.808 -2.217 10.471 89 HG2 LYS 11 HG2 LYS 11 -10.150 -0.183 11.645 90 HG3 LYS 11 HG1 LYS 11 -11.697 -0.168 12.491 91 HD2 LYS 11 HD2 LYS 11 -9.813 -2.505 12.637 92 HD3 LYS 11 HD1 LYS 11 -9.694 -1.136 13.742 93 HE2 LYS 11 HE2 LYS 11 -12.039 -1.522 14.417 94 HE3 LYS 11 HE1 LYS 11 -12.087 -2.933 13.367 95 HZ1 LYS 11 HZ1 LYS 11 -10.324 -3.926 14.684 96 HZ2 LYS 11 HZ2 LYS 11 -11.657 -3.553 15.654 97 HZ3 LYS 11 HZ3 LYS 11 -10.285 -2.570 15.691 98 H LEU 12 HN LEU 12 -10.761 -0.490 7.738 99 HA LEU 12 HA LEU 12 -12.347 -1.663 5.787 100 HB2 LEU 12 HB2 LEU 12 -10.480 -0.254 5.205 101 HB3 LEU 12 HB1 LEU 12 -9.347 -1.390 5.908 102 HG LEU 12 HG LEU 12 -10.021 -3.051 4.160 103 HD11 LEU 12 HD11 LEU 12 -11.201 -2.240 2.183 104 HD12 LEU 12 HD12 LEU 12 -11.464 -0.684 2.973 105 HD13 LEU 12 HD13 LEU 12 -12.216 -2.142 3.622 106 HD21 LEU 12 HD21 LEU 12 -8.947 -0.433 3.118 107 HD22 LEU 12 HD22 LEU 12 -8.738 -2.019 2.375 108 HD23 LEU 12 HD23 LEU 12 -8.002 -1.675 3.941 109 HA PRO 13 HA PRO 13 -9.767 -5.819 6.460 110 HB2 PRO 13 HB2 PRO 13 -9.242 -6.146 9.190 111 HB3 PRO 13 HB1 PRO 13 -8.044 -5.743 7.947 112 HG2 PRO 13 HG2 PRO 13 -9.456 -3.955 9.851 113 HG3 PRO 13 HG1 PRO 13 -7.786 -3.887 9.253 114 HD2 PRO 13 HD2 PRO 13 -9.646 -2.219 8.318 115 HD3 PRO 13 HD1 PRO 13 -8.400 -2.901 7.248 116 H GLN 14 HN GLN 14 -11.828 -4.409 8.968 117 HA GLN 14 HA GLN 14 -13.122 -6.840 9.660 118 HB2 GLN 14 HB2 GLN 14 -13.709 -3.947 10.157 119 HB3 GLN 14 HB1 GLN 14 -14.922 -5.163 10.527 120 HG2 GLN 14 HG2 GLN 14 -12.839 -6.270 11.764 121 HG3 GLN 14 HG1 GLN 14 -12.349 -4.581 11.852 122 HE21 GLN 14 HE21 GLN 14 -15.617 -5.950 11.960 123 HE22 GLN 14 HE22 GLN 14 -15.976 -5.373 13.556 124 H LEU 15 HN LEU 15 -13.973 -4.151 7.492 125 HA LEU 15 HA LEU 15 -16.500 -5.090 6.763 126 HB2 LEU 15 HB2 LEU 15 -15.604 -2.841 6.195 127 HB3 LEU 15 HB1 LEU 15 -14.560 -3.587 5.001 128 HG LEU 15 HG LEU 15 -16.503 -4.327 3.724 129 HD11 LEU 15 HD11 LEU 15 -18.755 -3.505 4.355 130 HD12 LEU 15 HD12 LEU 15 -18.091 -2.983 5.904 131 HD13 LEU 15 HD13 LEU 15 -18.101 -4.695 5.478 132 HD21 LEU 15 HD21 LEU 15 -17.110 -2.244 2.825 133 HD22 LEU 15 HD22 LEU 15 -15.488 -2.009 3.479 134 HD23 LEU 15 HD23 LEU 15 -16.894 -1.421 4.369 135 H CYS 16 HN CYS 16 -13.299 -5.970 5.662 136 HA CYS 16 HA CYS 16 -14.055 -7.477 3.404 137 HB2 CYS 16 HB2 CYS 16 -11.648 -7.890 5.193 138 HB3 CYS 16 HB1 CYS 16 -11.829 -8.462 3.539 139 HG CYS 16 HG CYS 16 -11.795 -5.143 4.381 140 H THR 17 HN THR 17 -13.389 -8.468 6.775 141 HA THR 17 HA THR 17 -13.964 -11.204 6.350 142 HB THR 17 HB THR 17 -14.356 -11.145 8.931 143 HG1 THR 17 HG1 THR 17 -14.605 -8.966 9.302 144 HG21 THR 17 HG21 THR 17 -11.689 -10.406 7.727 145 HG22 THR 17 HG22 THR 17 -12.348 -12.036 7.867 146 HG23 THR 17 HG23 THR 17 -11.934 -11.124 9.319 147 H GLU 18 HN GLU 18 -15.943 -8.490 7.437 148 HA GLU 18 HA GLU 18 -18.236 -10.044 8.038 149 HB2 GLU 18 HB2 GLU 18 -17.660 -7.140 7.699 150 HB3 GLU 18 HB1 GLU 18 -19.339 -7.661 7.659 151 HG2 GLU 18 HG2 GLU 18 -18.934 -7.064 9.885 152 HG3 GLU 18 HG1 GLU 18 -18.887 -8.825 9.865 153 H LEU 19 HN LEU 19 -17.056 -8.521 5.107 154 HA LEU 19 HA LEU 19 -19.521 -9.030 3.667 155 HB2 LEU 19 HB2 LEU 19 -17.412 -7.271 3.342 156 HB3 LEU 19 HB1 LEU 19 -17.148 -8.441 2.067 157 HG LEU 19 HG LEU 19 -19.881 -7.284 2.343 158 HD11 LEU 19 HD11 LEU 19 -19.150 -5.402 0.857 159 HD12 LEU 19 HD12 LEU 19 -17.482 -5.817 1.258 160 HD13 LEU 19 HD13 LEU 19 -18.591 -5.293 2.527 161 HD21 LEU 19 HD21 LEU 19 -19.416 -9.026 0.685 162 HD22 LEU 19 HD22 LEU 19 -18.156 -8.018 -0.025 163 HD23 LEU 19 HD23 LEU 19 -19.839 -7.498 -0.086 164 H GLN 20 HN GLN 20 -17.011 -10.879 4.689 165 HA GLN 20 HA GLN 20 -16.259 -12.971 4.259 166 HB2 GLN 20 HB2 GLN 20 -18.692 -13.064 2.468 167 HB3 GLN 20 HB1 GLN 20 -17.684 -14.458 2.833 168 HG2 GLN 20 HG2 GLN 20 -19.080 -12.839 4.948 169 HG3 GLN 20 HG1 GLN 20 -19.804 -14.244 4.166 170 HE21 GLN 20 HE21 GLN 20 -17.325 -13.128 6.335 171 HE22 GLN 20 HE22 GLN 20 -16.947 -14.678 7.004 172 H THR 21 HN THR 21 -14.928 -10.999 2.983 173 HA THR 21 HA THR 21 -13.925 -12.395 0.657 174 HB THR 21 HB THR 21 -15.720 -10.898 -0.241 175 HG1 THR 21 HG1 THR 21 -14.519 -10.526 -1.990 176 HG21 THR 21 HG21 THR 21 -15.330 -9.062 1.431 177 HG22 THR 21 HG22 THR 21 -15.473 -8.522 -0.241 178 HG23 THR 21 HG23 THR 21 -13.885 -8.629 0.521 179 H THR 22 HN THR 22 -12.182 -10.537 -0.317 180 HA THR 22 HA THR 22 -10.573 -9.789 2.037 181 HB THR 22 HB THR 22 -8.607 -10.217 0.322 182 HG1 THR 22 HG1 THR 22 -10.663 -11.991 -0.556 183 HG21 THR 22 HG21 THR 22 -8.858 -11.349 2.479 184 HG22 THR 22 HG22 THR 22 -8.360 -12.482 1.224 185 HG23 THR 22 HG23 THR 22 -10.038 -12.452 1.768 186 H ILE 23 HN ILE 23 -8.621 -8.358 1.119 187 HA ILE 23 HA ILE 23 -9.839 -5.936 0.224 188 HB ILE 23 HB ILE 23 -6.867 -6.315 0.266 189 HG12 ILE 23 HG12 ILE 23 -8.548 -5.921 2.750 190 HG13 ILE 23 HG11 ILE 23 -7.808 -7.451 2.294 191 HG21 ILE 23 HG21 ILE 23 -8.677 -4.057 1.110 192 HG22 ILE 23 HG22 ILE 23 -7.751 -4.150 -0.387 193 HG23 ILE 23 HG23 ILE 23 -6.913 -4.033 1.159 194 HD11 ILE 23 HD11 ILE 23 -6.334 -4.902 2.896 195 HD12 ILE 23 HD12 ILE 23 -5.600 -6.447 2.465 196 HD13 ILE 23 HD13 ILE 23 -6.498 -6.287 3.976 197 H HIS 24 HN HIS 24 -9.026 -8.589 -1.502 198 HA HIS 24 HA HIS 24 -8.052 -7.090 -3.831 199 HB2 HIS 24 HB2 HIS 24 -8.200 -10.077 -3.804 200 HB3 HIS 24 HB1 HIS 24 -7.048 -9.025 -4.618 201 HD1 HIS 24 HD1 HIS 24 -5.088 -8.029 -3.073 202 HD2 HIS 24 HD2 HIS 24 -7.454 -10.978 -1.338 203 HE1 HIS 24 HE1 HIS 24 -3.852 -8.822 -1.010 204 H ASP 25 HN ASP 25 -10.885 -8.223 -2.539 205 HA ASP 25 HA ASP 25 -12.138 -8.332 -5.197 206 HB2 ASP 25 HB2 ASP 25 -11.915 -10.630 -4.439 207 HB3 ASP 25 HB1 ASP 25 -12.646 -10.226 -2.893 208 H ILE 26 HN ILE 26 -12.065 -6.975 -2.141 209 HA ILE 26 HA ILE 26 -14.791 -6.558 -1.618 210 HB ILE 26 HB ILE 26 -13.109 -6.242 0.107 211 HG12 ILE 26 HG12 ILE 26 -14.431 -3.578 -0.398 212 HG13 ILE 26 HG11 ILE 26 -15.324 -4.999 0.133 213 HG21 ILE 26 HG21 ILE 26 -11.649 -4.281 0.143 214 HG22 ILE 26 HG22 ILE 26 -12.229 -3.819 -1.456 215 HG23 ILE 26 HG23 ILE 26 -11.312 -5.310 -1.248 216 HD11 ILE 26 HD11 ILE 26 -13.961 -5.103 2.151 217 HD12 ILE 26 HD12 ILE 26 -14.779 -3.549 2.001 218 HD13 ILE 26 HD13 ILE 26 -13.062 -3.682 1.619 219 H ILE 27 HN ILE 27 -16.245 -5.394 -2.638 220 HA ILE 27 HA ILE 27 -15.437 -3.547 -4.714 221 HB ILE 27 HB ILE 27 -18.220 -4.318 -3.824 222 HG12 ILE 27 HG12 ILE 27 -16.976 -6.243 -4.682 223 HG13 ILE 27 HG11 ILE 27 -18.241 -5.765 -5.806 224 HG21 ILE 27 HG21 ILE 27 -18.246 -2.190 -4.957 225 HG22 ILE 27 HG22 ILE 27 -18.904 -3.427 -6.031 226 HG23 ILE 27 HG23 ILE 27 -17.261 -2.838 -6.269 227 HD11 ILE 27 HD11 ILE 27 -16.539 -4.594 -7.158 228 HD12 ILE 27 HD12 ILE 27 -16.262 -6.329 -7.025 229 HD13 ILE 27 HD13 ILE 27 -15.298 -5.209 -6.067 230 H LEU 28 HN LEU 28 -14.591 -1.772 -3.735 231 HA LEU 28 HA LEU 28 -16.461 -0.169 -2.130 232 HB2 LEU 28 HB2 LEU 28 -13.890 -1.107 -1.404 233 HB3 LEU 28 HB1 LEU 28 -13.737 0.616 -1.687 234 HG LEU 28 HG LEU 28 -15.469 1.079 -0.031 235 HD11 LEU 28 HD11 LEU 28 -16.521 -0.624 1.263 236 HD12 LEU 28 HD12 LEU 28 -15.536 -1.882 0.520 237 HD13 LEU 28 HD13 LEU 28 -16.754 -1.036 -0.435 238 HD21 LEU 28 HD21 LEU 28 -13.083 0.798 0.653 239 HD22 LEU 28 HD22 LEU 28 -13.462 -0.858 1.110 240 HD23 LEU 28 HD23 LEU 28 -14.247 0.485 1.938 241 H GLU 29 HN GLU 29 -16.933 1.758 -2.929 242 HA GLU 29 HA GLU 29 -15.307 2.773 -5.162 243 HB2 GLU 29 HB2 GLU 29 -18.153 3.597 -4.832 244 HB3 GLU 29 HB1 GLU 29 -17.210 3.399 -6.304 245 HG2 GLU 29 HG2 GLU 29 -17.272 0.898 -5.797 246 HG3 GLU 29 HG1 GLU 29 -18.541 1.294 -4.641 247 H CYS 30 HN CYS 30 -15.678 5.208 -5.474 248 HA CYS 30 HA CYS 30 -14.735 6.538 -3.168 249 HB2 CYS 30 HB2 CYS 30 -14.072 7.286 -5.372 250 HB3 CYS 30 HB1 CYS 30 -15.745 7.597 -5.816 251 H VAL 31 HN VAL 31 -15.694 7.938 -1.794 252 HA VAL 31 HA VAL 31 -18.531 7.680 -1.437 253 HB VAL 31 HB VAL 31 -16.886 7.724 0.448 254 HG11 VAL 31 HG11 VAL 31 -16.049 9.898 1.228 255 HG12 VAL 31 HG12 VAL 31 -16.684 10.649 -0.237 256 HG13 VAL 31 HG13 VAL 31 -15.397 9.449 -0.347 257 HG21 VAL 31 HG21 VAL 31 -18.255 9.042 1.950 258 HG22 VAL 31 HG22 VAL 31 -19.271 8.156 0.814 259 HG23 VAL 31 HG23 VAL 31 -18.986 9.880 0.583 260 H TYR 32 HN TYR 32 -16.419 9.894 -3.002 261 HA TYR 32 HA TYR 32 -18.465 12.000 -2.995 262 HB2 TYR 32 HB2 TYR 32 -15.521 12.026 -3.623 263 HB3 TYR 32 HB1 TYR 32 -16.576 13.352 -4.098 264 HD1 TYR 32 HD1 TYR 32 -18.053 14.340 -2.151 265 HD2 TYR 32 HD2 TYR 32 -14.469 12.129 -1.572 266 HE1 TYR 32 HE1 TYR 32 -17.797 15.346 0.076 267 HE2 TYR 32 HE2 TYR 32 -14.204 13.128 0.658 268 HH TYR 32 HH TYR 32 -14.923 14.793 2.029 269 H CYS 33 HN CYS 33 -16.086 10.882 -5.389 270 HA CYS 33 HA CYS 33 -17.747 11.678 -7.566 271 HB2 CYS 33 HB2 CYS 33 -15.309 9.916 -7.703 272 HB3 CYS 33 HB1 CYS 33 -15.953 10.967 -8.960 273 H LYS 34 HN LYS 34 -17.616 8.876 -5.679 274 HA LYS 34 HA LYS 34 -18.732 6.906 -5.716 275 HB2 LYS 34 HB2 LYS 34 -20.248 8.074 -8.058 276 HB3 LYS 34 HB1 LYS 34 -20.721 6.666 -7.121 277 HG2 LYS 34 HG2 LYS 34 -20.587 9.520 -6.174 278 HG3 LYS 34 HG1 LYS 34 -22.033 8.537 -6.418 279 HD2 LYS 34 HD2 LYS 34 -21.128 6.980 -4.653 280 HD3 LYS 34 HD1 LYS 34 -19.889 8.196 -4.326 281 HE2 LYS 34 HE2 LYS 34 -22.869 8.435 -3.974 282 HE3 LYS 34 HE1 LYS 34 -21.613 8.544 -2.743 283 HZ1 LYS 34 HZ1 LYS 34 -20.812 10.557 -4.070 284 HZ2 LYS 34 HZ2 LYS 34 -22.215 10.738 -3.146 285 HZ3 LYS 34 HZ3 LYS 34 -22.329 10.524 -4.818 286 H GLN 35 HN GLN 35 -16.342 7.431 -7.467 287 HA GLN 35 HA GLN 35 -16.708 5.527 -9.637 288 HB2 GLN 35 HB2 GLN 35 -14.355 6.049 -10.190 289 HB3 GLN 35 HB1 GLN 35 -15.353 7.494 -10.105 290 HG2 GLN 35 HG2 GLN 35 -14.385 8.186 -8.102 291 HG3 GLN 35 HG1 GLN 35 -13.740 6.583 -7.755 292 HE21 GLN 35 HE21 GLN 35 -11.677 7.427 -7.450 293 HE22 GLN 35 HE22 GLN 35 -10.694 7.927 -8.788 294 H GLN 36 HN GLN 36 -15.734 3.494 -9.723 295 HA GLN 36 HA GLN 36 -15.296 2.256 -7.189 296 HB2 GLN 36 HB2 GLN 36 -16.199 1.312 -9.508 297 HB3 GLN 36 HB1 GLN 36 -14.505 0.887 -9.706 298 HG2 GLN 36 HG2 GLN 36 -14.526 -0.517 -7.824 299 HG3 GLN 36 HG1 GLN 36 -16.061 0.137 -7.256 300 HE21 GLN 36 HE21 GLN 36 -17.979 -0.410 -8.362 301 HE22 GLN 36 HE22 GLN 36 -18.058 -1.854 -9.324 302 H LEU 37 HN LEU 37 -13.464 2.031 -6.111 303 HA LEU 37 HA LEU 37 -11.066 3.255 -6.984 304 HB2 LEU 37 HB2 LEU 37 -11.973 1.754 -4.608 305 HB3 LEU 37 HB1 LEU 37 -10.250 1.722 -4.911 306 HG LEU 37 HG LEU 37 -10.279 4.231 -4.936 307 HD11 LEU 37 HD11 LEU 37 -13.073 3.854 -3.872 308 HD12 LEU 37 HD12 LEU 37 -12.651 4.538 -5.441 309 HD13 LEU 37 HD13 LEU 37 -12.187 5.376 -3.962 310 HD21 LEU 37 HD21 LEU 37 -11.211 2.848 -2.427 311 HD22 LEU 37 HD22 LEU 37 -10.453 4.437 -2.494 312 HD23 LEU 37 HD23 LEU 37 -9.546 3.005 -2.979 313 H LEU 38 HN LEU 38 -9.106 2.375 -7.594 314 HA LEU 38 HA LEU 38 -9.246 -0.172 -8.950 315 HB2 LEU 38 HB2 LEU 38 -8.113 1.861 -9.895 316 HB3 LEU 38 HB1 LEU 38 -6.902 1.708 -8.640 317 HG LEU 38 HG LEU 38 -6.583 -0.700 -9.643 318 HD11 LEU 38 HD11 LEU 38 -6.987 -0.830 -12.014 319 HD12 LEU 38 HD12 LEU 38 -7.670 0.796 -12.020 320 HD13 LEU 38 HD13 LEU 38 -8.505 -0.507 -11.176 321 HD21 LEU 38 HD21 LEU 38 -4.860 1.003 -9.599 322 HD22 LEU 38 HD22 LEU 38 -5.583 1.803 -10.995 323 HD23 LEU 38 HD23 LEU 38 -4.878 0.196 -11.166 324 H ARG 39 HN ARG 39 -7.512 -1.794 -8.632 325 HA ARG 39 HA ARG 39 -7.434 -2.889 -6.136 326 HB2 ARG 39 HB2 ARG 39 -6.747 -3.989 -8.262 327 HB3 ARG 39 HB1 ARG 39 -5.228 -3.111 -8.184 328 HG2 ARG 39 HG2 ARG 39 -4.992 -4.224 -5.856 329 HG3 ARG 39 HG1 ARG 39 -6.211 -5.346 -6.464 330 HD2 ARG 39 HD2 ARG 39 -4.039 -6.270 -6.895 331 HD3 ARG 39 HD1 ARG 39 -4.749 -5.774 -8.430 332 HE ARG 39 HE ARG 39 -3.306 -3.804 -8.343 333 HH11 ARG 39 HH11 ARG 39 -2.439 -6.575 -6.384 334 HH12 ARG 39 HH12 ARG 39 -0.794 -6.072 -6.181 335 HH21 ARG 39 HH21 ARG 39 -1.113 -3.192 -8.138 336 HH22 ARG 39 HH22 ARG 39 -0.038 -4.156 -7.162 337 H ARG 40 HN ARG 40 -5.076 -0.612 -7.485 338 HA ARG 40 HA ARG 40 -3.262 -0.777 -5.308 339 HB2 ARG 40 HB2 ARG 40 -3.572 0.902 -7.706 340 HB3 ARG 40 HB1 ARG 40 -2.772 1.688 -6.354 341 HG2 ARG 40 HG2 ARG 40 -1.935 -0.827 -7.771 342 HG3 ARG 40 HG1 ARG 40 -1.102 0.725 -7.753 343 HD2 ARG 40 HD2 ARG 40 -1.263 -1.380 -5.645 344 HD3 ARG 40 HD1 ARG 40 0.132 -0.478 -6.228 345 HE ARG 40 HE ARG 40 -1.403 1.412 -5.008 346 HH11 ARG 40 HH11 ARG 40 -0.037 -1.664 -4.020 347 HH12 ARG 40 HH12 ARG 40 0.062 -1.210 -2.344 348 HH21 ARG 40 HH21 ARG 40 -1.295 2.005 -2.808 349 HH22 ARG 40 HH22 ARG 40 -0.650 0.872 -1.654 350 H GLU 41 HN GLU 41 -5.817 1.553 -6.120 351 HA GLU 41 HA GLU 41 -5.429 3.305 -3.986 352 HB2 GLU 41 HB2 GLU 41 -7.767 2.633 -5.728 353 HB3 GLU 41 HB1 GLU 41 -8.007 3.683 -4.340 354 HG2 GLU 41 HG2 GLU 41 -7.634 4.938 -6.405 355 HG3 GLU 41 HG1 GLU 41 -6.389 5.255 -5.199 356 H VAL 42 HN VAL 42 -7.258 0.291 -4.164 357 HA VAL 42 HA VAL 42 -8.508 0.518 -1.637 358 HB VAL 42 HB VAL 42 -7.741 -2.085 -2.964 359 HG11 VAL 42 HG11 VAL 42 -9.633 -2.997 -1.791 360 HG12 VAL 42 HG12 VAL 42 -10.087 -1.400 -1.194 361 HG13 VAL 42 HG13 VAL 42 -8.599 -2.163 -0.631 362 HG21 VAL 42 HG21 VAL 42 -8.864 -0.712 -4.615 363 HG22 VAL 42 HG22 VAL 42 -10.161 -0.358 -3.476 364 HG23 VAL 42 HG23 VAL 42 -9.939 -2.001 -4.075 365 H TYR 43 HN TYR 43 -5.400 -0.775 -2.675 366 HA TYR 43 HA TYR 43 -4.672 -1.834 -0.125 367 HB2 TYR 43 HB2 TYR 43 -2.982 -1.068 -2.512 368 HB3 TYR 43 HB1 TYR 43 -2.350 -1.855 -1.073 369 HD1 TYR 43 HD1 TYR 43 -5.033 -3.607 -0.862 370 HD2 TYR 43 HD2 TYR 43 -2.123 -2.885 -3.880 371 HE1 TYR 43 HE1 TYR 43 -5.527 -5.802 -1.857 372 HE2 TYR 43 HE2 TYR 43 -2.610 -5.072 -4.882 373 HH TYR 43 HH TYR 43 -3.569 -7.161 -4.391 374 H ASP 44 HN ASP 44 -4.307 1.238 -1.750 375 HA ASP 44 HA ASP 44 -2.466 2.441 0.021 376 HB2 ASP 44 HB2 ASP 44 -4.254 3.316 -2.131 377 HB3 ASP 44 HB1 ASP 44 -4.044 4.526 -0.870 378 H PHE 45 HN PHE 45 -5.886 1.926 0.104 379 HA PHE 45 HA PHE 45 -6.501 3.688 2.245 380 HB2 PHE 45 HB2 PHE 45 -7.967 2.249 0.450 381 HB3 PHE 45 HB1 PHE 45 -8.187 1.294 1.911 382 HD1 PHE 45 HD2 PHE 45 -8.002 4.949 1.209 383 HD2 PHE 45 HD1 PHE 45 -10.223 1.722 2.875 384 HE1 PHE 45 HE2 PHE 45 -9.733 6.529 1.951 385 HE2 PHE 45 HE1 PHE 45 -11.963 3.298 3.617 386 HZ PHE 45 HZ PHE 45 -11.719 5.708 3.157 387 H ALA 46 HN ALA 46 -5.585 0.297 2.028 388 HA ALA 46 HA ALA 46 -6.019 -0.299 4.789 389 HB1 ALA 46 HB1 ALA 46 -4.306 -1.793 2.806 390 HB2 ALA 46 HB2 ALA 46 -6.050 -1.992 2.975 391 HB3 ALA 46 HB3 ALA 46 -4.985 -2.415 4.312 392 H PHE 47 HN PHE 47 -3.444 1.083 2.973 393 HA PHE 47 HA PHE 47 -1.336 0.514 4.813 394 HB2 PHE 47 HB2 PHE 47 -1.633 1.774 2.248 395 HB3 PHE 47 HB1 PHE 47 -0.681 2.808 3.307 396 HD1 PHE 47 HD1 PHE 47 -0.928 -0.844 2.578 397 HD2 PHE 47 HD2 PHE 47 1.575 2.551 3.108 398 HE1 PHE 47 HE1 PHE 47 1.050 -2.241 2.147 399 HE2 PHE 47 HE2 PHE 47 3.559 1.163 2.676 400 HZ PHE 47 HZ PHE 47 3.294 -1.239 2.195 401 H ARG 48 HN ARG 48 -3.845 2.853 4.722 402 HA ARG 48 HA ARG 48 -2.438 4.475 6.739 403 HB2 ARG 48 HB2 ARG 48 -4.616 5.207 4.783 404 HB3 ARG 48 HB1 ARG 48 -4.157 6.240 6.131 405 HG2 ARG 48 HG2 ARG 48 -2.074 6.715 5.225 406 HG3 ARG 48 HG1 ARG 48 -2.096 5.297 4.175 407 HD2 ARG 48 HD2 ARG 48 -3.869 6.329 2.834 408 HD3 ARG 48 HD1 ARG 48 -3.841 7.743 3.883 409 HE ARG 48 HE ARG 48 -1.739 8.339 2.985 410 HH11 ARG 48 HH11 ARG 48 -3.077 5.474 1.470 411 HH12 ARG 48 HH12 ARG 48 -2.091 5.612 0.037 412 HH21 ARG 48 HH21 ARG 48 -0.430 8.516 1.103 413 HH22 ARG 48 HH22 ARG 48 -0.603 7.345 -0.162 414 H ASP 49 HN ASP 49 -3.997 5.518 8.344 415 HA ASP 49 HA ASP 49 -5.587 3.399 9.516 416 HB2 ASP 49 HB2 ASP 49 -5.501 4.589 11.498 417 HB3 ASP 49 HB1 ASP 49 -4.028 5.151 10.716 418 H LEU 50 HN LEU 50 -6.163 5.685 7.257 419 HA LEU 50 HA LEU 50 -8.557 6.921 7.894 420 HB2 LEU 50 HB2 LEU 50 -6.935 6.600 5.616 421 HB3 LEU 50 HB1 LEU 50 -8.546 6.105 5.136 422 HG LEU 50 HG LEU 50 -8.750 8.552 6.598 423 HD11 LEU 50 HD11 LEU 50 -7.489 10.016 5.078 424 HD12 LEU 50 HD12 LEU 50 -6.755 8.594 4.338 425 HD13 LEU 50 HD13 LEU 50 -6.436 8.971 6.030 426 HD21 LEU 50 HD21 LEU 50 -9.175 7.854 3.694 427 HD22 LEU 50 HD22 LEU 50 -9.737 9.327 4.481 428 HD23 LEU 50 HD23 LEU 50 -10.375 7.762 4.984 429 H CYS 51 HN CYS 51 -10.308 5.958 8.651 430 HA CYS 51 HA CYS 51 -10.972 3.234 8.200 431 HB2 CYS 51 HB2 CYS 51 -12.967 3.704 9.502 432 HB3 CYS 51 HB1 CYS 51 -11.579 4.478 10.254 433 HG CYS 51 HG CYS 51 -12.539 6.856 10.278 434 H ILE 52 HN ILE 52 -13.594 3.040 7.784 435 HA ILE 52 HA ILE 52 -13.878 3.653 4.958 436 HB ILE 52 HB ILE 52 -15.804 2.181 6.767 437 HG12 ILE 52 HG12 ILE 52 -13.782 0.887 4.943 438 HG13 ILE 52 HG11 ILE 52 -13.438 1.216 6.639 439 HG21 ILE 52 HG21 ILE 52 -16.823 2.913 4.708 440 HG22 ILE 52 HG22 ILE 52 -16.591 1.165 4.661 441 HG23 ILE 52 HG23 ILE 52 -15.498 2.224 3.768 442 HD11 ILE 52 HD11 ILE 52 -15.724 -0.461 5.641 443 HD12 ILE 52 HD12 ILE 52 -15.251 -0.211 7.321 444 HD13 ILE 52 HD13 ILE 52 -14.184 -1.087 6.223 445 H VAL 53 HN VAL 53 -15.419 5.024 4.103 446 HA VAL 53 HA VAL 53 -16.783 6.735 6.055 447 HB VAL 53 HB VAL 53 -17.109 8.221 3.935 448 HG11 VAL 53 HG11 VAL 53 -14.977 9.332 4.377 449 HG12 VAL 53 HG12 VAL 53 -14.407 7.904 5.240 450 HG13 VAL 53 HG13 VAL 53 -15.765 8.836 5.875 451 HG21 VAL 53 HG21 VAL 53 -16.300 6.564 2.323 452 HG22 VAL 53 HG22 VAL 53 -14.718 6.577 3.102 453 HG23 VAL 53 HG23 VAL 53 -15.317 8.027 2.297 454 H TYR 54 HN TYR 54 -18.812 6.252 6.390 455 HA TYR 54 HA TYR 54 -20.303 4.817 4.337 456 HB2 TYR 54 HB2 TYR 54 -20.747 5.246 7.284 457 HB3 TYR 54 HB1 TYR 54 -22.016 4.616 6.237 458 HD1 TYR 54 HD1 TYR 54 -18.740 3.917 7.747 459 HD2 TYR 54 HD2 TYR 54 -21.880 2.401 5.312 460 HE1 TYR 54 HE1 TYR 54 -17.805 1.651 7.955 461 HE2 TYR 54 HE2 TYR 54 -20.956 0.135 5.515 462 HH TYR 54 HH TYR 54 -18.194 -0.538 7.610 463 H ARG 55 HN ARG 55 -21.364 5.997 2.940 464 HA ARG 55 HA ARG 55 -22.499 8.565 3.771 465 HB2 ARG 55 HB2 ARG 55 -21.294 7.632 1.377 466 HB3 ARG 55 HB1 ARG 55 -22.980 7.960 1.005 467 HG2 ARG 55 HG2 ARG 55 -21.007 9.894 2.205 468 HG3 ARG 55 HG1 ARG 55 -21.606 9.897 0.546 469 HD2 ARG 55 HD2 ARG 55 -23.259 10.320 3.033 470 HD3 ARG 55 HD1 ARG 55 -22.745 11.575 1.908 471 HE ARG 55 HE ARG 55 -24.100 9.830 0.331 472 HH11 ARG 55 HH11 ARG 55 -24.854 11.522 3.294 473 HH12 ARG 55 HH12 ARG 55 -26.555 11.605 2.974 474 HH21 ARG 55 HH21 ARG 55 -26.340 9.929 -0.110 475 HH22 ARG 55 HH22 ARG 55 -27.403 10.704 1.020 476 H ASP 56 HN ASP 56 -24.467 8.413 4.599 477 HA ASP 56 HA ASP 56 -26.691 8.006 4.812 478 HB2 ASP 56 HB2 ASP 56 -26.385 8.072 2.119 479 HB3 ASP 56 HB1 ASP 56 -26.973 6.427 2.325 480 H GLY 57 HN GLY 57 -25.719 5.149 2.946 481 HA2 GLY 57 HA2 GLY 57 -25.624 3.460 5.283 482 HA3 GLY 57 HA1 GLY 57 -27.037 3.187 4.271 483 H ASN 58 HN ASN 58 -24.119 4.259 2.785 484 HA ASN 58 HA ASN 58 -23.690 1.547 1.717 485 HB2 ASN 58 HB2 ASN 58 -23.942 4.161 0.374 486 HB3 ASN 58 HB1 ASN 58 -22.615 3.156 -0.195 487 HD21 ASN 58 HD21 ASN 58 -26.062 3.462 0.095 488 HD22 ASN 58 HD22 ASN 58 -26.461 2.215 -1.034 489 HA PRO 59 HA PRO 59 -19.596 2.078 3.380 490 HB2 PRO 59 HB2 PRO 59 -18.539 -0.232 2.428 491 HB3 PRO 59 HB1 PRO 59 -19.674 -0.203 3.791 492 HG2 PRO 59 HG2 PRO 59 -20.155 -0.914 0.950 493 HG3 PRO 59 HG1 PRO 59 -20.837 -1.618 2.428 494 HD2 PRO 59 HD2 PRO 59 -22.154 0.180 0.820 495 HD3 PRO 59 HD1 PRO 59 -22.510 -0.083 2.538 496 H TYR 60 HN TYR 60 -18.652 3.754 2.274 497 HA TYR 60 HA TYR 60 -17.561 3.116 -0.382 498 HB2 TYR 60 HB2 TYR 60 -18.579 5.711 0.750 499 HB3 TYR 60 HB1 TYR 60 -17.475 5.682 -0.620 500 HD1 TYR 60 HD2 TYR 60 -18.377 3.562 -2.306 501 HD2 TYR 60 HD1 TYR 60 -20.701 6.238 0.044 502 HE1 TYR 60 HE2 TYR 60 -20.281 3.233 -3.824 503 HE2 TYR 60 HE1 TYR 60 -22.610 5.915 -1.470 504 HH TYR 60 HH TYR 60 -22.893 3.443 -3.565 505 H ALA 61 HN ALA 61 -15.601 4.435 -0.916 506 HA ALA 61 HA ALA 61 -13.857 4.724 1.435 507 HB1 ALA 61 HB1 ALA 61 -13.349 2.636 0.260 508 HB2 ALA 61 HB2 ALA 61 -12.018 3.785 0.139 509 HB3 ALA 61 HB3 ALA 61 -13.099 3.537 -1.234 510 H VAL 62 HN VAL 62 -11.629 5.647 0.156 511 HA VAL 62 HA VAL 62 -12.498 7.994 -1.361 512 HB VAL 62 HB VAL 62 -10.574 8.130 0.969 513 HG11 VAL 62 HG11 VAL 62 -10.866 10.609 0.587 514 HG12 VAL 62 HG12 VAL 62 -11.621 10.183 -0.951 515 HG13 VAL 62 HG13 VAL 62 -9.943 9.736 -0.640 516 HG21 VAL 62 HG21 VAL 62 -12.866 7.833 1.758 517 HG22 VAL 62 HG22 VAL 62 -13.392 9.182 0.754 518 HG23 VAL 62 HG23 VAL 62 -12.287 9.465 2.099 519 H CYS 63 HN CYS 63 -11.366 8.051 -3.205 520 HA CYS 63 HA CYS 63 -9.004 6.467 -3.524 521 HB2 CYS 63 HB2 CYS 63 -9.252 8.199 -5.725 522 HB3 CYS 63 HB1 CYS 63 -9.747 6.513 -5.627 523 H ASP 64 HN ASP 64 -7.136 7.564 -4.776 524 HA ASP 64 HA ASP 64 -5.633 9.010 -3.001 525 HB2 ASP 64 HB2 ASP 64 -4.561 7.840 -4.763 526 HB3 ASP 64 HB1 ASP 64 -5.404 8.775 -5.991 527 H LYS 65 HN LYS 65 -7.809 10.357 -5.451 528 HA LYS 65 HA LYS 65 -6.765 12.952 -5.552 529 HB2 LYS 65 HB2 LYS 65 -9.724 12.712 -5.626 530 HB3 LYS 65 HB1 LYS 65 -8.642 13.563 -6.713 531 HG2 LYS 65 HG2 LYS 65 -9.127 11.944 -8.162 532 HG3 LYS 65 HG1 LYS 65 -8.021 10.949 -7.213 533 HD2 LYS 65 HD2 LYS 65 -10.076 9.741 -7.505 534 HD3 LYS 65 HD1 LYS 65 -9.953 10.233 -5.818 535 HE2 LYS 65 HE2 LYS 65 -11.307 12.335 -6.812 536 HE3 LYS 65 HE1 LYS 65 -11.855 11.081 -7.916 537 HZ1 LYS 65 HZ1 LYS 65 -12.311 9.756 -5.774 538 HZ2 LYS 65 HZ2 LYS 65 -13.385 10.994 -6.208 539 HZ3 LYS 65 HZ3 LYS 65 -12.235 11.263 -4.995 540 H CYS 66 HN CYS 66 -9.626 11.936 -3.675 541 HA CYS 66 HA CYS 66 -9.557 14.326 -2.116 542 HB2 CYS 66 HB2 CYS 66 -11.179 12.024 -1.210 543 HB3 CYS 66 HB1 CYS 66 -11.632 13.710 -1.432 544 H LEU 67 HN LEU 67 -8.267 11.145 -1.784 545 HA LEU 67 HA LEU 67 -8.036 10.771 0.924 546 HB2 LEU 67 HB2 LEU 67 -7.350 9.258 -0.998 547 HB3 LEU 67 HB1 LEU 67 -5.833 10.135 -1.017 548 HG LEU 67 HG LEU 67 -5.492 9.445 1.375 549 HD11 LEU 67 HD11 LEU 67 -7.872 7.691 0.784 550 HD12 LEU 67 HD12 LEU 67 -7.784 8.977 1.988 551 HD13 LEU 67 HD13 LEU 67 -6.806 7.522 2.180 552 HD21 LEU 67 HD21 LEU 67 -4.839 7.147 0.799 553 HD22 LEU 67 HD22 LEU 67 -4.365 8.303 -0.447 554 HD23 LEU 67 HD23 LEU 67 -5.773 7.267 -0.693 555 H LYS 68 HN LYS 68 -5.707 12.505 -1.145 556 HA LYS 68 HA LYS 68 -4.053 13.173 1.117 557 HB2 LYS 68 HB2 LYS 68 -2.804 14.552 -0.602 558 HB3 LYS 68 HB1 LYS 68 -2.868 12.820 -0.884 559 HG2 LYS 68 HG2 LYS 68 -4.880 13.361 -2.392 560 HG3 LYS 68 HG1 LYS 68 -4.288 15.022 -2.329 561 HD2 LYS 68 HD2 LYS 68 -2.149 14.335 -3.214 562 HD3 LYS 68 HD1 LYS 68 -2.635 12.640 -3.168 563 HE2 LYS 68 HE2 LYS 68 -4.560 13.381 -4.708 564 HE3 LYS 68 HE1 LYS 68 -3.597 14.833 -4.973 565 HZ1 LYS 68 HZ1 LYS 68 -3.084 12.074 -5.812 566 HZ2 LYS 68 HZ2 LYS 68 -1.748 13.044 -5.430 567 HZ3 LYS 68 HZ3 LYS 68 -2.816 13.529 -6.643 568 H PHE 69 HN PHE 69 -6.734 14.616 -0.466 569 HA PHE 69 HA PHE 69 -6.100 17.301 0.339 570 HB2 PHE 69 HB2 PHE 69 -8.424 15.986 -0.997 571 HB3 PHE 69 HB1 PHE 69 -8.651 17.570 -0.263 572 HD1 PHE 69 HD2 PHE 69 -6.540 15.729 -2.688 573 HD2 PHE 69 HD1 PHE 69 -8.011 19.502 -1.400 574 HE1 PHE 69 HE2 PHE 69 -5.580 16.775 -4.691 575 HE2 PHE 69 HE1 PHE 69 -7.052 20.558 -3.403 576 HZ PHE 69 HZ PHE 69 -5.835 19.193 -5.051 577 H TYR 70 HN TYR 70 -8.064 14.672 1.607 578 HA TYR 70 HA TYR 70 -8.780 16.389 3.895 579 HB2 TYR 70 HB2 TYR 70 -10.137 13.894 2.846 580 HB3 TYR 70 HB1 TYR 70 -10.637 14.783 4.280 581 HD1 TYR 70 HD1 TYR 70 -11.708 16.972 4.070 582 HD2 TYR 70 HD2 TYR 70 -10.560 14.752 0.632 583 HE1 TYR 70 HE1 TYR 70 -13.103 18.433 2.673 584 HE2 TYR 70 HE2 TYR 70 -11.954 16.205 -0.781 585 HH TYR 70 HH TYR 70 -13.222 19.149 0.307 586 H MET 1 HT1 MET 1 23.122 8.633 2.598 587 HA MET 1 HA MET 1 24.755 6.830 2.564 588 HB2 MET 1 HB2 MET 1 26.490 6.774 4.276 589 HB3 MET 1 HB1 MET 1 26.710 8.174 3.239 590 HG2 MET 1 HG2 MET 1 25.871 9.639 4.907 591 HG3 MET 1 HG1 MET 1 25.334 8.293 5.908 592 HE1 MET 1 HE1 MET 1 28.262 9.939 7.969 593 HE2 MET 1 HE2 MET 1 26.538 9.574 7.925 594 HE3 MET 1 HE3 MET 1 27.201 10.820 6.871 595 H PHE 2 HN PHE 2 24.582 5.072 4.151 596 HA PHE 2 HA PHE 2 22.678 5.616 6.315 597 HB2 PHE 2 HB2 PHE 2 21.908 4.407 3.938 598 HB3 PHE 2 HB1 PHE 2 22.176 3.049 5.027 599 HD1 PHE 2 HD1 PHE 2 20.701 6.464 5.342 600 HD2 PHE 2 HD2 PHE 2 20.256 2.288 6.002 601 HE1 PHE 2 HE1 PHE 2 18.504 6.865 6.374 602 HE2 PHE 2 HE2 PHE 2 18.062 2.680 7.034 603 HZ PHE 2 HZ PHE 2 17.182 4.967 7.223 604 H GLN 3 HN GLN 3 23.991 5.252 7.973 605 HA GLN 3 HA GLN 3 25.092 2.556 8.292 606 HB2 GLN 3 HB2 GLN 3 27.013 3.999 9.543 607 HB3 GLN 3 HB1 GLN 3 27.147 3.447 7.883 608 HG2 GLN 3 HG2 GLN 3 27.808 5.759 8.042 609 HG3 GLN 3 HG1 GLN 3 26.325 5.625 7.104 610 HE21 GLN 3 HE21 GLN 3 27.749 6.700 10.081 611 HE22 GLN 3 HE22 GLN 3 26.409 7.658 10.610 612 H ASP 4 HN ASP 4 26.323 3.182 10.798 613 HA ASP 4 HA ASP 4 24.325 2.717 12.632 614 HB2 ASP 4 HB2 ASP 4 26.646 2.334 13.167 615 HB3 ASP 4 HB1 ASP 4 27.018 4.046 12.997 616 HA PRO 5 HA PRO 5 23.600 3.046 14.658 617 HB2 PRO 5 HB2 PRO 5 21.025 3.965 15.523 618 HB3 PRO 5 HB1 PRO 5 22.532 3.923 16.452 619 HG2 PRO 5 HG2 PRO 5 21.238 6.219 15.687 620 HG3 PRO 5 HG1 PRO 5 22.957 6.111 16.106 621 HD2 PRO 5 HD2 PRO 5 21.676 6.184 13.409 622 HD3 PRO 5 HD1 PRO 5 23.183 6.943 13.968 623 H GLN 6 HN GLN 6 22.103 4.033 11.901 624 HA GLN 6 HA GLN 6 19.813 2.326 11.908 625 HB2 GLN 6 HB2 GLN 6 21.300 3.715 9.674 626 HB3 GLN 6 HB1 GLN 6 19.854 2.751 9.413 627 HG2 GLN 6 HG2 GLN 6 19.059 4.928 9.514 628 HG3 GLN 6 HG1 GLN 6 18.738 4.290 11.124 629 HE21 GLN 6 HE21 GLN 6 21.888 5.307 9.950 630 HE22 GLN 6 HE22 GLN 6 22.042 6.669 11.000 631 H GLU 7 HN GLU 7 20.118 0.214 12.160 632 HA GLU 7 HA GLU 7 22.469 -1.150 11.325 633 HB2 GLU 7 HB2 GLU 7 20.989 -1.772 13.275 634 HB3 GLU 7 HB1 GLU 7 19.840 -2.400 12.104 635 HG2 GLU 7 HG2 GLU 7 21.238 -4.156 13.076 636 HG3 GLU 7 HG1 GLU 7 21.445 -4.020 11.330 637 H ARG 8 HN ARG 8 19.620 -0.256 9.714 638 HA ARG 8 HA ARG 8 18.886 -0.561 7.585 639 HB2 ARG 8 HB2 ARG 8 21.493 -2.029 7.140 640 HB3 ARG 8 HB1 ARG 8 20.408 -1.448 5.885 641 HG2 ARG 8 HG2 ARG 8 21.219 0.627 5.985 642 HG3 ARG 8 HG1 ARG 8 21.269 0.630 7.750 643 HD2 ARG 8 HD2 ARG 8 23.280 -0.676 5.916 644 HD3 ARG 8 HD1 ARG 8 23.508 0.840 6.784 645 HE ARG 8 HE ARG 8 22.902 -0.998 8.721 646 HH11 ARG 8 HH11 ARG 8 25.367 -0.698 6.263 647 HH12 ARG 8 HH12 ARG 8 26.546 -1.606 7.155 648 HH21 ARG 8 HH21 ARG 8 24.444 -2.193 9.913 649 HH22 ARG 8 HH22 ARG 8 26.024 -2.458 9.234 650 HA PRO 9 HA PRO 9 17.386 -4.785 8.640 651 HB2 PRO 9 HB2 PRO 9 14.750 -4.182 8.386 652 HB3 PRO 9 HB1 PRO 9 15.662 -3.864 9.873 653 HG2 PRO 9 HG2 PRO 9 14.880 -1.985 7.707 654 HG3 PRO 9 HG1 PRO 9 14.894 -1.746 9.465 655 HD2 PRO 9 HD2 PRO 9 16.847 -0.810 7.816 656 HD3 PRO 9 HD1 PRO 9 17.118 -1.237 9.517 657 H ARG 10 HN ARG 10 16.081 -6.283 7.326 658 HA ARG 10 HA ARG 10 16.484 -5.734 4.496 659 HB2 ARG 10 HB2 ARG 10 16.644 -8.051 6.134 660 HB3 ARG 10 HB1 ARG 10 15.407 -8.338 4.920 661 HG2 ARG 10 HG2 ARG 10 17.529 -9.124 4.114 662 HG3 ARG 10 HG1 ARG 10 17.022 -7.729 3.161 663 HD2 ARG 10 HD2 ARG 10 18.494 -6.295 4.523 664 HD3 ARG 10 HD1 ARG 10 19.026 -7.716 5.418 665 HE ARG 10 HE ARG 10 19.397 -7.923 2.571 666 HH11 ARG 10 HH11 ARG 10 20.808 -6.824 5.589 667 HH12 ARG 10 HH12 ARG 10 22.433 -6.887 4.991 668 HH21 ARG 10 HH21 ARG 10 21.537 -8.002 1.797 669 HH22 ARG 10 HH22 ARG 10 22.843 -7.548 2.841 670 H LYS 11 HN LYS 11 14.072 -4.969 6.441 671 HA LYS 11 HA LYS 11 12.008 -5.644 4.452 672 HB2 LYS 11 HB2 LYS 11 11.802 -5.452 7.448 673 HB3 LYS 11 HB1 LYS 11 10.386 -5.299 6.420 674 HG2 LYS 11 HG2 LYS 11 12.231 -7.679 6.444 675 HG3 LYS 11 HG1 LYS 11 10.709 -7.574 7.329 676 HD2 LYS 11 HD2 LYS 11 9.535 -7.212 5.173 677 HD3 LYS 11 HD1 LYS 11 11.065 -7.456 4.331 678 HE2 LYS 11 HE2 LYS 11 11.213 -9.719 5.245 679 HE3 LYS 11 HE1 LYS 11 9.701 -9.469 6.116 680 HZ1 LYS 11 HZ1 LYS 11 8.614 -9.121 3.944 681 HZ2 LYS 11 HZ2 LYS 11 9.248 -10.678 4.120 682 HZ3 LYS 11 HZ3 LYS 11 10.062 -9.535 3.171 683 H LEU 12 HN LEU 12 10.944 -4.029 3.535 684 HA LEU 12 HA LEU 12 11.846 -1.418 3.599 685 HB2 LEU 12 HB2 LEU 12 10.539 -2.473 1.778 686 HB3 LEU 12 HB1 LEU 12 9.099 -2.315 2.767 687 HG LEU 12 HG LEU 12 9.474 0.170 2.769 688 HD11 LEU 12 HD11 LEU 12 11.521 -0.555 0.679 689 HD12 LEU 12 HD12 LEU 12 11.825 0.236 2.228 690 HD13 LEU 12 HD13 LEU 12 10.906 1.072 0.973 691 HD21 LEU 12 HD21 LEU 12 7.883 -1.032 1.273 692 HD22 LEU 12 HD22 LEU 12 9.133 -1.033 0.032 693 HD23 LEU 12 HD23 LEU 12 8.481 0.492 0.625 694 HA PRO 13 HA PRO 13 7.895 -0.201 6.312 695 HB2 PRO 13 HB2 PRO 13 7.418 -2.229 8.189 696 HB3 PRO 13 HB1 PRO 13 6.404 -1.858 6.781 697 HG2 PRO 13 HG2 PRO 13 8.475 -3.954 7.112 698 HG3 PRO 13 HG1 PRO 13 6.934 -4.011 6.233 699 HD2 PRO 13 HD2 PRO 13 9.242 -3.764 4.927 700 HD3 PRO 13 HD1 PRO 13 7.788 -2.896 4.392 701 H GLN 14 HN GLN 14 10.463 -2.321 7.464 702 HA GLN 14 HA GLN 14 10.743 -0.907 9.962 703 HB2 GLN 14 HB2 GLN 14 12.691 -2.902 8.816 704 HB3 GLN 14 HB1 GLN 14 12.408 -2.504 10.505 705 HG2 GLN 14 HG2 GLN 14 10.226 -3.554 10.421 706 HG3 GLN 14 HG1 GLN 14 10.433 -3.884 8.702 707 HE21 GLN 14 HE21 GLN 14 9.916 -5.764 10.788 708 HE22 GLN 14 HE22 GLN 14 11.246 -6.865 10.829 709 H LEU 15 HN LEU 15 12.168 -0.836 6.786 710 HA LEU 15 HA LEU 15 14.529 0.592 7.469 711 HB2 LEU 15 HB2 LEU 15 14.206 -0.647 5.333 712 HB3 LEU 15 HB1 LEU 15 13.044 0.569 4.837 713 HG LEU 15 HG LEU 15 14.846 2.281 4.933 714 HD11 LEU 15 HD11 LEU 15 16.331 1.251 6.528 715 HD12 LEU 15 HD12 LEU 15 17.180 1.495 5.001 716 HD13 LEU 15 HD13 LEU 15 16.604 -0.111 5.442 717 HD21 LEU 15 HD21 LEU 15 15.887 1.657 2.873 718 HD22 LEU 15 HD22 LEU 15 14.219 1.082 2.847 719 HD23 LEU 15 HD23 LEU 15 15.538 -0.047 3.158 720 H CYS 16 HN CYS 16 11.244 1.480 6.711 721 HA CYS 16 HA CYS 16 11.584 4.238 6.306 722 HB2 CYS 16 HB2 CYS 16 9.188 2.854 7.533 723 HB3 CYS 16 HB1 CYS 16 9.202 4.416 6.720 724 HG CYS 16 HG CYS 16 9.976 1.486 5.130 725 H THR 17 HN THR 17 11.256 2.288 9.207 726 HA THR 17 HA THR 17 10.921 4.391 11.056 727 HB THR 17 HB THR 17 12.363 1.997 11.990 728 HG1 THR 17 HG1 THR 17 9.765 1.347 11.465 729 HG21 THR 17 HG21 THR 17 9.748 3.307 12.741 730 HG22 THR 17 HG22 THR 17 11.302 3.570 13.527 731 HG23 THR 17 HG23 THR 17 10.518 1.992 13.627 732 H GLU 18 HN GLU 18 13.736 2.873 9.605 733 HA GLU 18 HA GLU 18 15.697 3.983 11.320 734 HB2 GLU 18 HB2 GLU 18 16.009 3.214 8.411 735 HB3 GLU 18 HB1 GLU 18 17.300 3.386 9.592 736 HG2 GLU 18 HG2 GLU 18 15.085 1.362 9.801 737 HG3 GLU 18 HG1 GLU 18 16.663 1.039 9.083 738 H LEU 19 HN LEU 19 14.016 5.121 8.489 739 HA LEU 19 HA LEU 19 15.619 7.537 8.303 740 HB2 LEU 19 HB2 LEU 19 13.542 6.213 6.662 741 HB3 LEU 19 HB1 LEU 19 13.561 7.965 6.601 742 HG LEU 19 HG LEU 19 15.992 6.270 6.036 743 HD11 LEU 19 HD11 LEU 19 13.979 7.425 4.109 744 HD12 LEU 19 HD12 LEU 19 14.299 5.713 4.404 745 HD13 LEU 19 HD13 LEU 19 15.537 6.727 3.660 746 HD21 LEU 19 HD21 LEU 19 16.474 8.559 6.684 747 HD22 LEU 19 HD22 LEU 19 15.336 9.161 5.480 748 HD23 LEU 19 HD23 LEU 19 16.803 8.325 4.968 749 H GLN 20 HN GLN 20 13.318 6.517 10.321 750 HA GLN 20 HA GLN 20 11.805 7.461 11.719 751 HB2 GLN 20 HB2 GLN 20 13.509 9.861 11.070 752 HB3 GLN 20 HB1 GLN 20 12.210 9.910 12.252 753 HG2 GLN 20 HG2 GLN 20 14.535 8.009 12.386 754 HG3 GLN 20 HG1 GLN 20 14.478 9.562 13.218 755 HE21 GLN 20 HE21 GLN 20 13.352 6.294 13.166 756 HE22 GLN 20 HE22 GLN 20 12.535 6.335 14.693 757 H THR 21 HN THR 21 10.918 7.115 9.103 758 HA THR 21 HA THR 21 8.869 9.189 8.986 759 HB THR 21 HB THR 21 10.753 9.803 7.402 760 HG1 THR 21 HG1 THR 21 9.298 10.376 5.746 761 HG21 THR 21 HG21 THR 21 11.333 7.546 6.651 762 HG22 THR 21 HG22 THR 21 10.908 8.578 5.286 763 HG23 THR 21 HG23 THR 21 9.752 7.388 5.887 764 H THR 22 HN THR 22 7.442 8.384 6.829 765 HA THR 22 HA THR 22 6.719 5.632 7.568 766 HB THR 22 HB THR 22 4.546 6.332 6.267 767 HG1 THR 22 HG1 THR 22 5.531 8.866 7.153 768 HG21 THR 22 HG21 THR 22 3.579 7.173 8.369 769 HG22 THR 22 HG22 THR 22 5.204 7.373 9.022 770 HG23 THR 22 HG23 THR 22 4.604 5.763 8.632 771 H ILE 23 HN ILE 23 5.588 4.444 5.674 772 HA ILE 23 HA ILE 23 7.507 4.134 3.600 773 HB ILE 23 HB ILE 23 4.690 3.060 3.478 774 HG12 ILE 23 HG12 ILE 23 7.027 1.889 5.012 775 HG13 ILE 23 HG11 ILE 23 5.609 2.630 5.741 776 HG21 ILE 23 HG21 ILE 23 5.754 1.201 2.300 777 HG22 ILE 23 HG22 ILE 23 7.333 1.956 2.516 778 HG23 ILE 23 HG23 ILE 23 6.111 2.735 1.509 779 HD11 ILE 23 HD11 ILE 23 5.519 0.183 5.786 780 HD12 ILE 23 HD12 ILE 23 5.583 0.158 4.023 781 HD13 ILE 23 HD13 ILE 23 4.200 0.882 4.845 782 H HIS 24 HN HIS 24 4.987 6.290 4.055 783 HA HIS 24 HA HIS 24 4.316 6.706 1.281 784 HB2 HIS 24 HB2 HIS 24 3.614 8.341 3.730 785 HB3 HIS 24 HB1 HIS 24 2.902 8.529 2.133 786 HD1 HIS 24 HD1 HIS 24 1.750 6.081 1.278 787 HD2 HIS 24 HD2 HIS 24 2.091 6.860 5.344 788 HE1 HIS 24 HE1 HIS 24 0.107 4.545 2.434 789 H ASP 25 HN ASP 25 6.926 7.554 3.151 790 HA ASP 25 HA ASP 25 7.450 9.912 1.468 791 HB2 ASP 25 HB2 ASP 25 6.879 10.682 3.695 792 HB3 ASP 25 HB1 ASP 25 8.046 9.584 4.415 793 H ILE 26 HN ILE 26 8.494 6.866 2.463 794 HA ILE 26 HA ILE 26 11.307 7.291 2.385 795 HB ILE 26 HB ILE 26 10.263 5.332 3.508 796 HG12 ILE 26 HG12 ILE 26 12.217 4.504 1.356 797 HG13 ILE 26 HG11 ILE 26 12.675 5.426 2.784 798 HG21 ILE 26 HG21 ILE 26 9.545 3.412 2.226 799 HG22 ILE 26 HG22 ILE 26 9.870 4.266 0.718 800 HG23 ILE 26 HG23 ILE 26 8.580 4.820 1.785 801 HD11 ILE 26 HD11 ILE 26 13.188 3.104 3.109 802 HD12 ILE 26 HD12 ILE 26 11.529 2.647 2.726 803 HD13 ILE 26 HD13 ILE 26 11.875 3.565 4.191 804 H ILE 27 HN ILE 27 12.722 7.239 0.746 805 HA ILE 27 HA ILE 27 11.652 6.805 -1.965 806 HB ILE 27 HB ILE 27 13.854 8.695 -1.110 807 HG12 ILE 27 HG12 ILE 27 11.608 9.517 -0.559 808 HG13 ILE 27 HG11 ILE 27 12.321 10.470 -1.854 809 HG21 ILE 27 HG21 ILE 27 13.911 9.408 -3.456 810 HG22 ILE 27 HG22 ILE 27 12.738 8.154 -3.860 811 HG23 ILE 27 HG23 ILE 27 14.342 7.706 -3.279 812 HD11 ILE 27 HD11 ILE 27 10.989 9.201 -3.487 813 HD12 ILE 27 HD12 ILE 27 9.990 10.047 -2.304 814 HD13 ILE 27 HD13 ILE 27 10.246 8.311 -2.159 815 H LEU 28 HN LEU 28 12.389 4.955 -2.767 816 HA LEU 28 HA LEU 28 15.214 4.278 -2.322 817 HB2 LEU 28 HB2 LEU 28 12.908 2.781 -1.534 818 HB3 LEU 28 HB1 LEU 28 13.748 1.890 -2.788 819 HG LEU 28 HG LEU 28 15.832 2.007 -1.450 820 HD11 LEU 28 HD11 LEU 28 14.039 3.285 0.608 821 HD12 LEU 28 HD12 LEU 28 15.420 4.029 -0.199 822 HD13 LEU 28 HD13 LEU 28 15.668 2.684 0.914 823 HD21 LEU 28 HD21 LEU 28 13.419 0.808 -0.095 824 HD22 LEU 28 HD22 LEU 28 15.090 0.451 0.339 825 HD23 LEU 28 HD23 LEU 28 14.486 0.029 -1.262 826 H GLU 29 HN GLU 29 16.288 3.347 -4.060 827 HA GLU 29 HA GLU 29 14.901 3.621 -6.635 828 HB2 GLU 29 HB2 GLU 29 17.280 3.770 -7.541 829 HB3 GLU 29 HB1 GLU 29 16.715 5.132 -6.583 830 HG2 GLU 29 HG2 GLU 29 17.869 4.115 -4.612 831 HG3 GLU 29 HG1 GLU 29 18.564 2.927 -5.713 832 H CYS 30 HN CYS 30 15.543 2.102 -8.349 833 HA CYS 30 HA CYS 30 15.368 -0.576 -7.470 834 HB2 CYS 30 HB2 CYS 30 14.452 0.079 -9.615 835 HB3 CYS 30 HB1 CYS 30 16.043 0.572 -10.183 836 H VAL 31 HN VAL 31 16.829 -2.185 -7.375 837 HA VAL 31 HA VAL 31 19.486 -1.529 -6.712 838 HB VAL 31 HB VAL 31 18.439 -3.446 -5.704 839 HG11 VAL 31 HG11 VAL 31 17.947 -5.492 -7.016 840 HG12 VAL 31 HG12 VAL 31 18.271 -4.580 -8.491 841 HG13 VAL 31 HG13 VAL 31 16.927 -4.118 -7.447 842 HG21 VAL 31 HG21 VAL 31 20.638 -4.437 -7.513 843 HG22 VAL 31 HG22 VAL 31 20.169 -5.104 -5.949 844 HG23 VAL 31 HG23 VAL 31 20.894 -3.499 -6.043 845 H TYR 32 HN TYR 32 18.046 -2.643 -9.740 846 HA TYR 32 HA TYR 32 20.758 -2.726 -10.881 847 HB2 TYR 32 HB2 TYR 32 18.247 -4.187 -11.641 848 HB3 TYR 32 HB1 TYR 32 19.603 -4.040 -12.759 849 HD1 TYR 32 HD2 TYR 32 21.964 -4.624 -11.600 850 HD2 TYR 32 HD1 TYR 32 18.175 -6.109 -10.353 851 HE1 TYR 32 HE2 TYR 32 23.074 -6.528 -10.516 852 HE2 TYR 32 HE1 TYR 32 19.279 -8.017 -9.259 853 HH TYR 32 HH TYR 32 21.507 -9.277 -9.548 854 H CYS 33 HN CYS 33 17.512 -1.403 -11.405 855 HA CYS 33 HA CYS 33 18.361 -0.069 -13.829 856 HB2 CYS 33 HB2 CYS 33 15.800 0.363 -12.285 857 HB3 CYS 33 HB1 CYS 33 16.111 0.754 -13.973 858 H LYS 34 HN LYS 34 18.312 0.591 -10.475 859 HA LYS 34 HA LYS 34 18.894 2.371 -9.202 860 HB2 LYS 34 HB2 LYS 34 20.172 3.388 -11.749 861 HB3 LYS 34 HB1 LYS 34 20.475 4.020 -10.137 862 HG2 LYS 34 HG2 LYS 34 22.154 2.584 -9.987 863 HG3 LYS 34 HG1 LYS 34 20.956 1.287 -9.937 864 HD2 LYS 34 HD2 LYS 34 20.990 1.240 -12.419 865 HD3 LYS 34 HD1 LYS 34 22.295 2.426 -12.386 866 HE2 LYS 34 HE2 LYS 34 23.776 0.904 -11.354 867 HE3 LYS 34 HE1 LYS 34 22.470 -0.209 -10.957 868 HZ1 LYS 34 HZ1 LYS 34 23.804 -0.953 -12.856 869 HZ2 LYS 34 HZ2 LYS 34 23.354 0.434 -13.711 870 HZ3 LYS 34 HZ3 LYS 34 22.182 -0.703 -13.272 871 H GLN 35 HN GLN 35 16.382 2.401 -10.795 872 HA GLN 35 HA GLN 35 15.932 5.285 -11.073 873 HB2 GLN 35 HB2 GLN 35 14.186 2.949 -11.878 874 HB3 GLN 35 HB1 GLN 35 13.822 4.641 -12.183 875 HG2 GLN 35 HG2 GLN 35 16.091 3.038 -13.343 876 HG3 GLN 35 HG1 GLN 35 14.660 3.620 -14.188 877 HE21 GLN 35 HE21 GLN 35 17.796 4.384 -13.026 878 HE22 GLN 35 HE22 GLN 35 17.880 5.995 -13.647 879 H GLN 36 HN GLN 36 14.503 6.363 -9.774 880 HA GLN 36 HA GLN 36 13.961 5.264 -7.222 881 HB2 GLN 36 HB2 GLN 36 13.122 7.802 -8.600 882 HB3 GLN 36 HB1 GLN 36 12.477 7.372 -7.021 883 HG2 GLN 36 HG2 GLN 36 14.674 7.368 -6.058 884 HG3 GLN 36 HG1 GLN 36 15.410 7.609 -7.640 885 HE21 GLN 36 HE21 GLN 36 12.502 9.224 -6.534 886 HE22 GLN 36 HE22 GLN 36 13.187 10.806 -6.444 887 H LEU 37 HN LEU 37 12.342 4.070 -6.535 888 HA LEU 37 HA LEU 37 10.273 3.261 -8.342 889 HB2 LEU 37 HB2 LEU 37 11.213 2.493 -5.660 890 HB3 LEU 37 HB1 LEU 37 9.494 2.282 -5.924 891 HG LEU 37 HG LEU 37 10.144 0.961 -8.021 892 HD11 LEU 37 HD11 LEU 37 12.459 1.661 -8.183 893 HD12 LEU 37 HD12 LEU 37 12.369 -0.084 -7.937 894 HD13 LEU 37 HD13 LEU 37 12.801 0.975 -6.593 895 HD21 LEU 37 HD21 LEU 37 10.481 -1.079 -6.720 896 HD22 LEU 37 HD22 LEU 37 9.243 -0.054 -5.995 897 HD23 LEU 37 HD23 LEU 37 10.861 -0.112 -5.295 898 H LEU 38 HN LEU 38 8.285 4.054 -8.543 899 HA LEU 38 HA LEU 38 7.512 6.450 -7.276 900 HB2 LEU 38 HB2 LEU 38 5.738 4.453 -8.685 901 HB3 LEU 38 HB1 LEU 38 5.365 6.138 -8.378 902 HG LEU 38 HG LEU 38 7.619 5.193 -10.148 903 HD11 LEU 38 HD11 LEU 38 4.884 6.215 -10.892 904 HD12 LEU 38 HD12 LEU 38 5.465 4.563 -11.097 905 HD13 LEU 38 HD13 LEU 38 6.199 5.876 -12.016 906 HD21 LEU 38 HD21 LEU 38 7.682 7.509 -10.895 907 HD22 LEU 38 HD22 LEU 38 7.969 7.401 -9.158 908 HD23 LEU 38 HD23 LEU 38 6.396 7.920 -9.761 909 H ARG 39 HN ARG 39 6.150 6.855 -5.583 910 HA ARG 39 HA ARG 39 6.095 5.286 -3.371 911 HB2 ARG 39 HB2 ARG 39 4.149 6.625 -2.595 912 HB3 ARG 39 HB1 ARG 39 5.451 7.598 -3.263 913 HG2 ARG 39 HG2 ARG 39 4.233 8.191 -5.129 914 HG3 ARG 39 HG1 ARG 39 3.182 6.777 -5.019 915 HD2 ARG 39 HD2 ARG 39 2.883 8.346 -2.651 916 HD3 ARG 39 HD1 ARG 39 2.709 9.395 -4.057 917 HE ARG 39 HE ARG 39 1.202 6.906 -4.105 918 HH11 ARG 39 HH11 ARG 39 1.171 10.349 -3.411 919 HH12 ARG 39 HH12 ARG 39 -0.554 10.474 -3.538 920 HH21 ARG 39 HH21 ARG 39 -1.070 7.091 -4.253 921 HH22 ARG 39 HH22 ARG 39 -1.829 8.647 -4.017 922 H ARG 40 HN ARG 40 3.720 5.187 -5.981 923 HA ARG 40 HA ARG 40 1.813 3.579 -4.699 924 HB2 ARG 40 HB2 ARG 40 1.683 4.896 -6.931 925 HB3 ARG 40 HB1 ARG 40 2.327 3.424 -7.646 926 HG2 ARG 40 HG2 ARG 40 0.412 2.203 -6.550 927 HG3 ARG 40 HG1 ARG 40 -0.274 3.790 -6.200 928 HD2 ARG 40 HD2 ARG 40 -1.267 3.063 -8.220 929 HD3 ARG 40 HD1 ARG 40 -0.080 4.288 -8.661 930 HE ARG 40 HE ARG 40 1.387 2.105 -8.976 931 HH11 ARG 40 HH11 ARG 40 -1.938 2.708 -9.939 932 HH12 ARG 40 HH12 ARG 40 -1.861 1.630 -11.297 933 HH21 ARG 40 HH21 ARG 40 1.476 0.689 -10.735 934 HH22 ARG 40 HH22 ARG 40 0.081 0.476 -11.753 935 H GLU 41 HN GLU 41 4.503 2.687 -6.844 936 HA GLU 41 HA GLU 41 3.993 -0.102 -6.703 937 HB2 GLU 41 HB2 GLU 41 6.679 1.107 -7.323 938 HB3 GLU 41 HB1 GLU 41 6.004 -0.402 -7.916 939 HG2 GLU 41 HG2 GLU 41 5.215 2.391 -8.692 940 HG3 GLU 41 HG1 GLU 41 5.993 1.174 -9.701 941 H VAL 42 HN VAL 42 5.872 2.140 -4.812 942 HA VAL 42 HA VAL 42 7.499 0.356 -3.398 943 HB VAL 42 HB VAL 42 6.350 3.031 -2.575 944 HG11 VAL 42 HG11 VAL 42 8.035 3.101 -0.820 945 HG12 VAL 42 HG12 VAL 42 8.558 1.470 -1.239 946 HG13 VAL 42 HG13 VAL 42 6.944 1.737 -0.580 947 HG21 VAL 42 HG21 VAL 42 8.602 3.854 -3.099 948 HG22 VAL 42 HG22 VAL 42 7.826 3.120 -4.504 949 HG23 VAL 42 HG23 VAL 42 9.068 2.234 -3.617 950 H TYR 43 HN TYR 43 4.169 1.387 -2.852 951 HA TYR 43 HA TYR 43 3.906 0.151 -0.303 952 HB2 TYR 43 HB2 TYR 43 1.711 0.822 -2.271 953 HB3 TYR 43 HB1 TYR 43 1.517 0.522 -0.549 954 HD1 TYR 43 HD1 TYR 43 4.063 2.143 0.239 955 HD2 TYR 43 HD2 TYR 43 0.704 2.999 -2.233 956 HE1 TYR 43 HE1 TYR 43 4.362 4.544 0.665 957 HE2 TYR 43 HE2 TYR 43 1.003 5.400 -1.809 958 HH TYR 43 HH TYR 43 3.783 6.697 -0.477 959 H ASP 44 HN ASP 44 3.425 -0.920 -3.609 960 HA ASP 44 HA ASP 44 2.087 -3.350 -2.927 961 HB2 ASP 44 HB2 ASP 44 2.804 -1.996 -5.323 962 HB3 ASP 44 HB1 ASP 44 3.496 -3.614 -5.408 963 H PHE 45 HN PHE 45 5.365 -2.310 -3.133 964 HA PHE 45 HA PHE 45 6.643 -4.835 -3.212 965 HB2 PHE 45 HB2 PHE 45 7.799 -2.752 -3.799 966 HB3 PHE 45 HB1 PHE 45 7.595 -2.154 -2.159 967 HD1 PHE 45 HD2 PHE 45 8.932 -3.081 -0.324 968 HD2 PHE 45 HD1 PHE 45 9.514 -4.327 -4.352 969 HE1 PHE 45 HE2 PHE 45 11.114 -4.031 0.289 970 HE2 PHE 45 HE1 PHE 45 11.699 -5.275 -3.743 971 HZ PHE 45 HZ PHE 45 12.504 -5.126 -1.421 972 H ALA 46 HN ALA 46 5.504 -2.749 -0.615 973 HA ALA 46 HA ALA 46 6.562 -4.467 1.460 974 HB1 ALA 46 HB1 ALA 46 5.105 -2.848 2.897 975 HB2 ALA 46 HB2 ALA 46 5.045 -1.899 1.410 976 HB3 ALA 46 HB3 ALA 46 6.598 -2.275 2.156 977 H PHE 47 HN PHE 47 3.598 -4.101 -0.297 978 HA PHE 47 HA PHE 47 1.918 -5.437 1.587 979 HB2 PHE 47 HB2 PHE 47 1.428 -3.947 -0.639 980 HB3 PHE 47 HB1 PHE 47 1.166 -5.572 -1.267 981 HD1 PHE 47 HD2 PHE 47 -0.516 -7.052 -0.112 982 HD2 PHE 47 HD1 PHE 47 -0.176 -2.887 0.705 983 HE1 PHE 47 HE2 PHE 47 -2.770 -7.063 0.872 984 HE2 PHE 47 HE1 PHE 47 -2.433 -2.893 1.693 985 HZ PHE 47 HZ PHE 47 -3.734 -4.982 1.775 986 H ARG 48 HN ARG 48 4.191 -6.410 -0.773 987 HA ARG 48 HA ARG 48 3.274 -9.198 -0.670 988 HB2 ARG 48 HB2 ARG 48 5.173 -7.743 -2.515 989 HB3 ARG 48 HB1 ARG 48 5.015 -9.495 -2.504 990 HG2 ARG 48 HG2 ARG 48 2.713 -9.348 -3.173 991 HG3 ARG 48 HG1 ARG 48 2.744 -7.589 -3.022 992 HD2 ARG 48 HD2 ARG 48 4.391 -7.449 -4.811 993 HD3 ARG 48 HD1 ARG 48 4.409 -9.206 -4.950 994 HE ARG 48 HE ARG 48 1.934 -8.914 -5.504 995 HH11 ARG 48 HH11 ARG 48 4.387 -6.548 -6.308 996 HH12 ARG 48 HH12 ARG 48 3.529 -5.927 -7.676 997 HH21 ARG 48 HH21 ARG 48 0.794 -8.107 -7.303 998 HH22 ARG 48 HH22 ARG 48 1.463 -6.808 -8.241 999 H ASP 49 HN ASP 49 4.865 -10.863 -0.221 1000 HA ASP 49 HA ASP 49 6.653 -10.028 1.879 1001 HB2 ASP 49 HB2 ASP 49 5.292 -12.119 2.038 1002 HB3 ASP 49 HB1 ASP 49 6.285 -12.812 0.757 1003 H LEU 50 HN LEU 50 8.034 -8.728 0.549 1004 HA LEU 50 HA LEU 50 10.002 -10.322 -0.954 1005 HB2 LEU 50 HB2 LEU 50 8.763 -7.701 -1.453 1006 HB3 LEU 50 HB1 LEU 50 10.503 -7.729 -1.675 1007 HG LEU 50 HG LEU 50 10.109 -9.759 -3.189 1008 HD11 LEU 50 HD11 LEU 50 7.303 -8.664 -3.122 1009 HD12 LEU 50 HD12 LEU 50 7.822 -10.231 -2.498 1010 HD13 LEU 50 HD13 LEU 50 7.910 -9.897 -4.228 1011 HD21 LEU 50 HD21 LEU 50 9.592 -8.341 -5.113 1012 HD22 LEU 50 HD22 LEU 50 10.764 -7.577 -4.040 1013 HD23 LEU 50 HD23 LEU 50 9.080 -7.051 -4.025 1014 H CYS 51 HN CYS 51 12.184 -8.911 -1.007 1015 HA CYS 51 HA CYS 51 12.772 -8.058 1.742 1016 HB2 CYS 51 HB2 CYS 51 15.091 -9.194 1.217 1017 HB3 CYS 51 HB1 CYS 51 13.746 -10.156 1.821 1018 HG CYS 51 HG CYS 51 15.372 -10.368 -1.067 1019 H ILE 52 HN ILE 52 14.569 -6.609 1.940 1020 HA ILE 52 HA ILE 52 14.803 -4.849 -0.339 1021 HB ILE 52 HB ILE 52 16.083 -4.670 2.396 1022 HG12 ILE 52 HG12 ILE 52 13.655 -3.295 1.228 1023 HG13 ILE 52 HG11 ILE 52 13.659 -4.489 2.523 1024 HG21 ILE 52 HG21 ILE 52 15.919 -2.618 0.191 1025 HG22 ILE 52 HG22 ILE 52 17.371 -3.471 0.711 1026 HG23 ILE 52 HG23 ILE 52 16.570 -2.346 1.807 1027 HD11 ILE 52 HD11 ILE 52 13.465 -2.538 3.695 1028 HD12 ILE 52 HD12 ILE 52 14.482 -1.635 2.577 1029 HD13 ILE 52 HD13 ILE 52 15.213 -2.770 3.712 1030 H VAL 53 HN VAL 53 16.404 -4.823 -1.751 1031 HA VAL 53 HA VAL 53 18.643 -6.647 -1.380 1032 HB VAL 53 HB VAL 53 19.101 -5.526 -3.806 1033 HG11 VAL 53 HG11 VAL 53 18.005 -7.527 -4.755 1034 HG12 VAL 53 HG12 VAL 53 17.263 -7.836 -3.186 1035 HG13 VAL 53 HG13 VAL 53 19.017 -7.905 -3.360 1036 HG21 VAL 53 HG21 VAL 53 16.102 -5.578 -3.493 1037 HG22 VAL 53 HG22 VAL 53 16.987 -5.292 -4.990 1038 HG23 VAL 53 HG23 VAL 53 17.087 -4.128 -3.668 1039 H TYR 54 HN TYR 54 20.376 -5.877 -0.378 1040 HA TYR 54 HA TYR 54 20.948 -3.017 -0.517 1041 HB2 TYR 54 HB2 TYR 54 21.851 -5.241 1.286 1042 HB3 TYR 54 HB1 TYR 54 22.785 -3.750 1.182 1043 HD1 TYR 54 HD1 TYR 54 21.826 -1.629 1.940 1044 HD2 TYR 54 HD2 TYR 54 19.690 -5.280 2.360 1045 HE1 TYR 54 HE1 TYR 54 20.289 -0.538 3.523 1046 HE2 TYR 54 HE2 TYR 54 18.151 -4.203 3.941 1047 HH TYR 54 HH TYR 54 17.738 -2.384 5.158 1048 H ARG 55 HN ARG 55 22.127 -2.379 -2.136 1049 HA ARG 55 HA ARG 55 24.238 -4.144 -3.163 1050 HB2 ARG 55 HB2 ARG 55 22.288 -3.070 -4.601 1051 HB3 ARG 55 HB1 ARG 55 23.353 -1.676 -4.602 1052 HG2 ARG 55 HG2 ARG 55 24.356 -4.376 -5.429 1053 HG3 ARG 55 HG1 ARG 55 23.481 -3.337 -6.554 1054 HD2 ARG 55 HD2 ARG 55 26.098 -2.801 -5.174 1055 HD3 ARG 55 HD1 ARG 55 25.783 -2.913 -6.904 1056 HE ARG 55 HE ARG 55 24.237 -0.821 -5.970 1057 HH11 ARG 55 HH11 ARG 55 27.633 -1.616 -6.163 1058 HH12 ARG 55 HH12 ARG 55 28.153 0.039 -6.219 1059 HH21 ARG 55 HH21 ARG 55 24.906 1.377 -6.038 1060 HH22 ARG 55 HH22 ARG 55 26.600 1.739 -6.166 1061 H ASP 56 HN ASP 56 26.066 -3.727 -2.140 1062 HA ASP 56 HA ASP 56 27.963 -2.657 -1.511 1063 HB2 ASP 56 HB2 ASP 56 27.549 -1.400 -3.731 1064 HB3 ASP 56 HB1 ASP 56 26.964 -0.084 -2.717 1065 H GLY 57 HN GLY 57 25.376 -2.587 -0.005 1066 HA2 GLY 57 HA2 GLY 57 25.141 -2.005 2.271 1067 HA3 GLY 57 HA1 GLY 57 26.286 -0.697 2.028 1068 H ASN 58 HN ASN 58 24.788 0.144 -0.420 1069 HA ASN 58 HA ASN 58 23.042 1.975 0.917 1070 HB2 ASN 58 HB2 ASN 58 23.987 1.572 -1.878 1071 HB3 ASN 58 HB1 ASN 58 22.484 2.460 -1.653 1072 HD21 ASN 58 HD21 ASN 58 23.978 4.072 -2.723 1073 HD22 ASN 58 HD22 ASN 58 24.885 5.101 -1.671 1074 HA PRO 59 HA PRO 59 19.352 -0.434 0.649 1075 HB2 PRO 59 HB2 PRO 59 17.526 1.547 1.009 1076 HB3 PRO 59 HB1 PRO 59 18.540 0.930 2.326 1077 HG2 PRO 59 HG2 PRO 59 18.846 3.407 0.712 1078 HG3 PRO 59 HG1 PRO 59 19.110 3.145 2.448 1079 HD2 PRO 59 HD2 PRO 59 21.132 3.249 0.624 1080 HD3 PRO 59 HD1 PRO 59 21.221 2.332 2.140 1081 H TYR 60 HN TYR 60 18.625 -1.260 -1.186 1082 HA TYR 60 HA TYR 60 17.636 0.563 -3.276 1083 HB2 TYR 60 HB2 TYR 60 19.230 -1.984 -3.560 1084 HB3 TYR 60 HB1 TYR 60 18.271 -1.331 -4.880 1085 HD1 TYR 60 HD2 TYR 60 21.263 -0.886 -2.828 1086 HD2 TYR 60 HD1 TYR 60 18.976 0.688 -6.046 1087 HE1 TYR 60 HE2 TYR 60 23.174 0.502 -3.501 1088 HE2 TYR 60 HE1 TYR 60 20.885 2.078 -6.730 1089 HH TYR 60 HH TYR 60 22.915 3.041 -5.737 1090 H ALA 61 HN ALA 61 15.891 -0.280 -4.537 1091 HA ALA 61 HA ALA 61 14.361 -2.374 -3.139 1092 HB1 ALA 61 HB1 ALA 61 13.276 -0.230 -2.896 1093 HB2 ALA 61 HB2 ALA 61 12.328 -1.240 -3.988 1094 HB3 ALA 61 HB3 ALA 61 13.350 0.043 -4.636 1095 H VAL 62 HN VAL 62 12.542 -3.142 -4.794 1096 HA VAL 62 HA VAL 62 13.960 -3.903 -7.260 1097 HB VAL 62 HB VAL 62 11.752 -5.488 -5.935 1098 HG11 VAL 62 HG11 VAL 62 12.617 -7.316 -7.323 1099 HG12 VAL 62 HG12 VAL 62 13.802 -6.210 -8.020 1100 HG13 VAL 62 HG13 VAL 62 12.080 -5.943 -8.293 1101 HG21 VAL 62 HG21 VAL 62 13.694 -5.304 -4.415 1102 HG22 VAL 62 HG22 VAL 62 14.720 -5.969 -5.687 1103 HG23 VAL 62 HG23 VAL 62 13.430 -6.951 -4.993 1104 H CYS 63 HN CYS 63 13.123 -2.909 -8.990 1105 HA CYS 63 HA CYS 63 10.568 -1.645 -8.922 1106 HB2 CYS 63 HB2 CYS 63 11.020 -1.084 -11.278 1107 HB3 CYS 63 HB1 CYS 63 12.396 -0.707 -10.247 1108 H ASP 64 HN ASP 64 9.006 -2.047 -10.788 1109 HA ASP 64 HA ASP 64 7.852 -4.571 -10.520 1110 HB2 ASP 64 HB2 ASP 64 6.554 -2.634 -11.217 1111 HB3 ASP 64 HB1 ASP 64 7.487 -2.505 -12.703 1112 H LYS 65 HN LYS 65 10.184 -3.356 -12.805 1113 HA LYS 65 HA LYS 65 9.976 -5.479 -14.697 1114 HB2 LYS 65 HB2 LYS 65 12.341 -3.668 -14.206 1115 HB3 LYS 65 HB1 LYS 65 11.978 -4.562 -15.677 1116 HG2 LYS 65 HG2 LYS 65 10.684 -2.936 -16.446 1117 HG3 LYS 65 HG1 LYS 65 9.801 -2.819 -14.923 1118 HD2 LYS 65 HD2 LYS 65 10.863 -0.712 -15.324 1119 HD3 LYS 65 HD1 LYS 65 11.713 -1.509 -13.998 1120 HE2 LYS 65 HE2 LYS 65 13.363 -2.345 -15.693 1121 HE3 LYS 65 HE1 LYS 65 12.570 -1.300 -16.874 1122 HZ1 LYS 65 HZ1 LYS 65 14.256 0.029 -16.125 1123 HZ2 LYS 65 HZ2 LYS 65 14.204 -0.570 -14.543 1124 HZ3 LYS 65 HZ3 LYS 65 13.010 0.507 -15.085 1125 H CYS 66 HN CYS 66 12.467 -4.684 -12.265 1126 HA CYS 66 HA CYS 66 13.872 -7.102 -12.583 1127 HB2 CYS 66 HB2 CYS 66 13.863 -5.197 -10.244 1128 HB3 CYS 66 HB1 CYS 66 15.063 -6.452 -10.534 1129 H LEU 67 HN LEU 67 11.116 -6.233 -10.682 1130 HA LEU 67 HA LEU 67 11.087 -8.110 -8.680 1131 HB2 LEU 67 HB2 LEU 67 9.364 -6.246 -9.523 1132 HB3 LEU 67 HB1 LEU 67 8.544 -7.665 -10.141 1133 HG LEU 67 HG LEU 67 9.375 -7.959 -7.357 1134 HD11 LEU 67 HD11 LEU 67 8.937 -5.555 -7.326 1135 HD12 LEU 67 HD12 LEU 67 7.694 -6.439 -6.443 1136 HD13 LEU 67 HD13 LEU 67 7.357 -5.825 -8.061 1137 HD21 LEU 67 HD21 LEU 67 7.847 -9.483 -8.556 1138 HD22 LEU 67 HD22 LEU 67 6.682 -8.166 -8.707 1139 HD23 LEU 67 HD23 LEU 67 7.114 -8.783 -7.112 1140 H LYS 68 HN LYS 68 9.683 -8.517 -11.920 1141 HA LYS 68 HA LYS 68 9.252 -11.332 -11.458 1142 HB2 LYS 68 HB2 LYS 68 8.645 -11.202 -14.010 1143 HB3 LYS 68 HB1 LYS 68 7.549 -10.614 -12.779 1144 HG2 LYS 68 HG2 LYS 68 8.968 -8.362 -13.328 1145 HG3 LYS 68 HG1 LYS 68 8.952 -9.166 -14.898 1146 HD2 LYS 68 HD2 LYS 68 6.549 -9.322 -14.855 1147 HD3 LYS 68 HD1 LYS 68 6.496 -8.676 -13.214 1148 HE2 LYS 68 HE2 LYS 68 7.611 -6.603 -14.141 1149 HE3 LYS 68 HE1 LYS 68 7.278 -7.255 -15.746 1150 HZ1 LYS 68 HZ1 LYS 68 5.607 -5.667 -14.428 1151 HZ2 LYS 68 HZ2 LYS 68 5.028 -7.173 -13.913 1152 HZ3 LYS 68 HZ3 LYS 68 5.091 -6.815 -15.563 1153 H PHE 69 HN PHE 69 11.864 -9.462 -12.514 1154 HA PHE 69 HA PHE 69 12.963 -11.392 -14.323 1155 HB2 PHE 69 HB2 PHE 69 13.732 -8.769 -13.301 1156 HB3 PHE 69 HB1 PHE 69 15.100 -9.850 -13.511 1157 HD1 PHE 69 HD1 PHE 69 12.096 -8.614 -15.299 1158 HD2 PHE 69 HD2 PHE 69 16.099 -10.018 -15.589 1159 HE1 PHE 69 HE1 PHE 69 12.090 -8.107 -17.705 1160 HE2 PHE 69 HE2 PHE 69 16.102 -9.518 -17.995 1161 HZ PHE 69 HZ PHE 69 14.098 -8.564 -19.058 1162 H TYR 70 HN TYR 70 13.671 -10.451 -10.968 1163 HA TYR 70 HA TYR 70 15.194 -12.960 -10.691 1164 HB2 TYR 70 HB2 TYR 70 15.605 -10.316 -9.280 1165 HB3 TYR 70 HB1 TYR 70 16.465 -11.798 -8.882 1166 HD1 TYR 70 HD2 TYR 70 17.952 -12.837 -10.656 1167 HD2 TYR 70 HD1 TYR 70 16.334 -8.922 -11.011 1168 HE1 TYR 70 HE2 TYR 70 19.656 -12.291 -12.346 1169 HE2 TYR 70 HE1 TYR 70 18.028 -8.364 -12.698 1170 HH TYR 70 HH TYR 70 20.386 -9.201 -13.290 Start of MODEL 13 1 H MET 1 HT1 MET 1 -23.309 -2.944 -4.123 2 HA MET 1 HA MET 1 -24.974 -2.256 -2.632 3 HB2 MET 1 HB2 MET 1 -26.998 -3.508 -2.233 4 HB3 MET 1 HB1 MET 1 -26.874 -3.187 -3.956 5 HG2 MET 1 HG2 MET 1 -26.192 -5.432 -4.394 6 HG3 MET 1 HG1 MET 1 -26.061 -5.780 -2.671 7 HE1 MET 1 HE1 MET 1 -29.125 -7.953 -3.791 8 HE2 MET 1 HE2 MET 1 -27.607 -7.960 -2.895 9 HE3 MET 1 HE3 MET 1 -27.605 -7.647 -4.631 10 H PHE 2 HN PHE 2 -25.032 -2.917 -0.428 11 HA PHE 2 HA PHE 2 -23.699 -5.458 0.153 12 HB2 PHE 2 HB2 PHE 2 -22.398 -2.994 0.309 13 HB3 PHE 2 HB1 PHE 2 -22.801 -3.397 1.971 14 HD1 PHE 2 HD1 PHE 2 -21.640 -5.323 -1.010 15 HD2 PHE 2 HD2 PHE 2 -21.061 -4.364 3.095 16 HE1 PHE 2 HE1 PHE 2 -19.731 -6.871 -0.922 17 HE2 PHE 2 HE2 PHE 2 -19.149 -5.907 3.189 18 HZ PHE 2 HZ PHE 2 -18.480 -7.165 1.179 19 H GLN 3 HN GLN 3 -25.357 -6.430 1.069 20 HA GLN 3 HA GLN 3 -26.336 -5.359 3.603 21 HB2 GLN 3 HB2 GLN 3 -28.609 -6.525 2.743 22 HB3 GLN 3 HB1 GLN 3 -28.279 -4.815 2.536 23 HG2 GLN 3 HG2 GLN 3 -29.154 -5.743 0.493 24 HG3 GLN 3 HG1 GLN 3 -27.476 -5.258 0.259 25 HE21 GLN 3 HE21 GLN 3 -29.665 -7.956 0.582 26 HE22 GLN 3 HE22 GLN 3 -28.588 -9.150 -0.046 27 H ASP 4 HN ASP 4 -28.113 -7.488 4.124 28 HA ASP 4 HA ASP 4 -26.547 -9.432 5.248 29 HB2 ASP 4 HB2 ASP 4 -28.859 -9.253 5.842 30 HB3 ASP 4 HB1 ASP 4 -29.372 -9.576 4.193 31 HA PRO 5 HA PRO 5 -26.216 -11.474 5.750 32 HB2 PRO 5 HB2 PRO 5 -23.979 -13.183 5.225 33 HB3 PRO 5 HB1 PRO 5 -25.626 -13.658 5.667 34 HG2 PRO 5 HG2 PRO 5 -24.445 -14.174 3.242 35 HG3 PRO 5 HG1 PRO 5 -26.193 -14.135 3.535 36 HD2 PRO 5 HD2 PRO 5 -24.434 -12.035 2.350 37 HD3 PRO 5 HD1 PRO 5 -26.088 -12.510 1.902 38 H GLN 6 HN GLN 6 -24.312 -9.774 3.652 39 HA GLN 6 HA GLN 6 -21.897 -9.578 5.161 40 HB2 GLN 6 HB2 GLN 6 -23.106 -7.857 2.995 41 HB3 GLN 6 HB1 GLN 6 -21.567 -7.477 3.751 42 HG2 GLN 6 HG2 GLN 6 -20.934 -8.593 1.840 43 HG3 GLN 6 HG1 GLN 6 -20.884 -9.861 3.060 44 HE21 GLN 6 HE21 GLN 6 -23.860 -8.608 1.692 45 HE22 GLN 6 HE22 GLN 6 -24.273 -10.038 0.814 46 H GLU 7 HN GLU 7 -21.591 -8.522 7.000 47 HA GLU 7 HA GLU 7 -23.740 -6.962 8.131 48 HB2 GLU 7 HB2 GLU 7 -22.323 -8.607 9.426 49 HB3 GLU 7 HB1 GLU 7 -21.005 -7.451 9.312 50 HG2 GLU 7 HG2 GLU 7 -22.167 -7.323 11.457 51 HG3 GLU 7 HG1 GLU 7 -22.283 -5.816 10.549 52 H ARG 8 HN ARG 8 -20.949 -6.344 6.308 53 HA ARG 8 HA ARG 8 -20.066 -4.420 5.464 54 HB2 ARG 8 HB2 ARG 8 -22.259 -2.968 6.954 55 HB3 ARG 8 HB1 ARG 8 -21.243 -2.298 5.688 56 HG2 ARG 8 HG2 ARG 8 -22.502 -3.165 4.059 57 HG3 ARG 8 HG1 ARG 8 -22.689 -4.709 4.896 58 HD2 ARG 8 HD2 ARG 8 -24.180 -2.176 5.574 59 HD3 ARG 8 HD1 ARG 8 -24.828 -3.503 4.611 60 HE ARG 8 HE ARG 8 -23.862 -4.165 7.279 61 HH11 ARG 8 HH11 ARG 8 -26.612 -3.385 5.255 62 HH12 ARG 8 HH12 ARG 8 -27.763 -4.143 6.308 63 HH21 ARG 8 HH21 ARG 8 -25.376 -5.180 8.666 64 HH22 ARG 8 HH22 ARG 8 -27.063 -5.159 8.236 65 HA PRO 9 HA PRO 9 -17.857 -3.621 9.395 66 HB2 PRO 9 HB2 PRO 9 -15.399 -4.304 8.510 67 HB3 PRO 9 HB1 PRO 9 -16.574 -5.523 9.041 68 HG2 PRO 9 HG2 PRO 9 -15.777 -4.741 6.296 69 HG3 PRO 9 HG1 PRO 9 -16.205 -6.336 6.943 70 HD2 PRO 9 HD2 PRO 9 -17.901 -4.706 5.474 71 HD3 PRO 9 HD1 PRO 9 -18.415 -6.035 6.527 72 H ARG 10 HN ARG 10 -16.442 -1.898 9.917 73 HA ARG 10 HA ARG 10 -16.366 0.175 7.881 74 HB2 ARG 10 HB2 ARG 10 -16.349 0.087 10.795 75 HB3 ARG 10 HB1 ARG 10 -15.172 1.219 10.150 76 HG2 ARG 10 HG2 ARG 10 -17.163 2.429 10.528 77 HG3 ARG 10 HG1 ARG 10 -17.017 2.218 8.782 78 HD2 ARG 10 HD2 ARG 10 -18.605 0.386 8.841 79 HD3 ARG 10 HD1 ARG 10 -18.704 0.501 10.599 80 HE ARG 10 HE ARG 10 -19.440 2.844 9.008 81 HH11 ARG 10 HH11 ARG 10 -20.448 0.155 11.008 82 HH12 ARG 10 HH12 ARG 10 -22.012 0.821 11.330 83 HH21 ARG 10 HH21 ARG 10 -21.499 3.733 9.453 84 HH22 ARG 10 HH22 ARG 10 -22.611 2.852 10.452 85 H LYS 11 HN LYS 11 -14.370 -2.293 8.672 86 HA LYS 11 HA LYS 11 -11.949 -0.731 8.097 87 HB2 LYS 11 HB2 LYS 11 -12.388 -3.253 9.656 88 HB3 LYS 11 HB1 LYS 11 -10.816 -2.931 8.936 89 HG2 LYS 11 HG2 LYS 11 -12.227 -1.054 10.824 90 HG3 LYS 11 HG1 LYS 11 -11.009 -2.235 11.310 91 HD2 LYS 11 HD2 LYS 11 -9.355 -1.164 9.917 92 HD3 LYS 11 HD1 LYS 11 -10.559 -0.042 9.286 93 HE2 LYS 11 HE2 LYS 11 -10.856 0.886 11.542 94 HE3 LYS 11 HE1 LYS 11 -9.637 -0.233 12.157 95 HZ1 LYS 11 HZ1 LYS 11 -8.759 2.010 11.715 96 HZ2 LYS 11 HZ2 LYS 11 -9.138 1.827 10.073 97 HZ3 LYS 11 HZ3 LYS 11 -7.985 0.815 10.791 98 H LEU 12 HN LEU 12 -10.884 -1.054 6.281 99 HA LEU 12 HA LEU 12 -11.949 -2.403 4.114 100 HB2 LEU 12 HB2 LEU 12 -10.321 -0.544 4.001 101 HB3 LEU 12 HB1 LEU 12 -9.061 -1.646 4.522 102 HG LEU 12 HG LEU 12 -9.204 -2.901 2.483 103 HD11 LEU 12 HD11 LEU 12 -11.581 -1.166 1.843 104 HD12 LEU 12 HD12 LEU 12 -11.567 -2.913 2.096 105 HD13 LEU 12 HD13 LEU 12 -10.771 -2.218 0.683 106 HD21 LEU 12 HD21 LEU 12 -8.092 -0.548 2.600 107 HD22 LEU 12 HD22 LEU 12 -9.391 -0.093 1.496 108 HD23 LEU 12 HD23 LEU 12 -8.262 -1.373 1.052 109 HA PRO 13 HA PRO 13 -8.569 -5.946 4.858 110 HB2 PRO 13 HB2 PRO 13 -8.390 -6.417 7.618 111 HB3 PRO 13 HB1 PRO 13 -7.139 -5.676 6.604 112 HG2 PRO 13 HG2 PRO 13 -9.142 -4.387 8.368 113 HG3 PRO 13 HG1 PRO 13 -7.464 -3.922 8.025 114 HD2 PRO 13 HD2 PRO 13 -9.500 -2.597 6.927 115 HD3 PRO 13 HD1 PRO 13 -8.010 -2.913 6.013 116 H GLN 14 HN GLN 14 -11.269 -5.284 7.048 117 HA GLN 14 HA GLN 14 -12.019 -8.079 7.119 118 HB2 GLN 14 HB2 GLN 14 -12.279 -6.386 9.041 119 HB3 GLN 14 HB1 GLN 14 -13.691 -5.812 8.162 120 HG2 GLN 14 HG2 GLN 14 -14.784 -7.897 8.372 121 HG3 GLN 14 HG1 GLN 14 -13.313 -8.686 8.935 122 HE21 GLN 14 HE21 GLN 14 -14.237 -9.423 10.802 123 HE22 GLN 14 HE22 GLN 14 -14.661 -8.386 12.117 124 H LEU 15 HN LEU 15 -12.958 -5.155 5.449 125 HA LEU 15 HA LEU 15 -15.449 -5.972 4.447 126 HB2 LEU 15 HB2 LEU 15 -14.788 -3.679 4.262 127 HB3 LEU 15 HB1 LEU 15 -13.366 -4.105 3.328 128 HG LEU 15 HG LEU 15 -14.917 -4.909 1.507 129 HD11 LEU 15 HD11 LEU 15 -16.921 -5.227 2.831 130 HD12 LEU 15 HD12 LEU 15 -17.218 -4.052 1.548 131 HD13 LEU 15 HD13 LEU 15 -16.972 -3.506 3.209 132 HD21 LEU 15 HD21 LEU 15 -15.237 -2.751 0.592 133 HD22 LEU 15 HD22 LEU 15 -13.770 -2.678 1.569 134 HD23 LEU 15 HD23 LEU 15 -15.277 -2.006 2.190 135 H CYS 16 HN CYS 16 -12.180 -6.510 3.309 136 HA CYS 16 HA CYS 16 -12.754 -7.624 0.812 137 HB2 CYS 16 HB2 CYS 16 -10.456 -8.333 2.646 138 HB3 CYS 16 HB1 CYS 16 -10.507 -8.535 0.897 139 HG CYS 16 HG CYS 16 -10.533 -5.529 2.543 140 H THR 17 HN THR 17 -12.756 -9.014 4.036 141 HA THR 17 HA THR 17 -12.945 -11.732 3.258 142 HB THR 17 HB THR 17 -14.032 -10.507 5.802 143 HG1 THR 17 HG1 THR 17 -11.374 -11.185 5.045 144 HG21 THR 17 HG21 THR 17 -12.970 -13.260 5.152 145 HG22 THR 17 HG22 THR 17 -14.648 -12.835 5.490 146 HG23 THR 17 HG23 THR 17 -13.433 -12.709 6.762 147 H GLU 18 HN GLU 18 -15.324 -9.214 3.943 148 HA GLU 18 HA GLU 18 -17.631 -10.849 3.764 149 HB2 GLU 18 HB2 GLU 18 -17.429 -7.889 3.182 150 HB3 GLU 18 HB1 GLU 18 -18.876 -8.779 3.629 151 HG2 GLU 18 HG2 GLU 18 -16.690 -9.008 5.554 152 HG3 GLU 18 HG1 GLU 18 -17.304 -7.369 5.340 153 H LEU 19 HN LEU 19 -15.844 -8.909 1.412 154 HA LEU 19 HA LEU 19 -17.697 -9.481 -0.721 155 HB2 LEU 19 HB2 LEU 19 -16.049 -7.437 -0.341 156 HB3 LEU 19 HB1 LEU 19 -14.946 -8.457 -1.242 157 HG LEU 19 HG LEU 19 -17.431 -8.381 -2.642 158 HD11 LEU 19 HD11 LEU 19 -16.303 -5.645 -2.084 159 HD12 LEU 19 HD12 LEU 19 -17.782 -6.277 -1.362 160 HD13 LEU 19 HD13 LEU 19 -17.681 -6.043 -3.107 161 HD21 LEU 19 HD21 LEU 19 -15.234 -8.821 -3.622 162 HD22 LEU 19 HD22 LEU 19 -14.743 -7.164 -3.263 163 HD23 LEU 19 HD23 LEU 19 -16.036 -7.470 -4.423 164 H GLN 20 HN GLN 20 -15.418 -11.290 0.801 165 HA GLN 20 HA GLN 20 -14.339 -13.240 0.378 166 HB2 GLN 20 HB2 GLN 20 -16.286 -13.317 -1.936 167 HB3 GLN 20 HB1 GLN 20 -15.251 -14.660 -1.471 168 HG2 GLN 20 HG2 GLN 20 -17.223 -13.397 0.411 169 HG3 GLN 20 HG1 GLN 20 -17.636 -14.739 -0.656 170 HE21 GLN 20 HE21 GLN 20 -15.947 -13.759 2.200 171 HE22 GLN 20 HE22 GLN 20 -15.526 -15.352 2.738 172 H THR 21 HN THR 21 -12.851 -11.143 -0.342 173 HA THR 21 HA THR 21 -11.265 -12.222 -2.496 174 HB THR 21 HB THR 21 -12.982 -10.689 -3.591 175 HG1 THR 21 HG1 THR 21 -11.283 -9.693 -4.906 176 HG21 THR 21 HG21 THR 21 -12.936 -8.916 -1.870 177 HG22 THR 21 HG22 THR 21 -12.587 -8.293 -3.483 178 HG23 THR 21 HG23 THR 21 -11.275 -8.537 -2.328 179 H THR 22 HN THR 22 -9.420 -10.276 -2.875 180 HA THR 22 HA THR 22 -8.404 -9.851 -0.146 181 HB THR 22 HB THR 22 -6.152 -9.750 -1.169 182 HG1 THR 22 HG1 THR 22 -7.181 -10.817 -3.563 183 HG21 THR 22 HG21 THR 22 -5.941 -12.129 -1.660 184 HG22 THR 22 HG22 THR 22 -7.686 -12.253 -1.887 185 HG23 THR 22 HG23 THR 22 -7.028 -11.879 -0.294 186 H ILE 23 HN ILE 23 -6.853 -7.951 0.016 187 HA ILE 23 HA ILE 23 -8.237 -5.563 -0.754 188 HB ILE 23 HB ILE 23 -5.463 -5.454 0.353 189 HG12 ILE 23 HG12 ILE 23 -7.898 -6.281 1.954 190 HG13 ILE 23 HG11 ILE 23 -6.504 -7.297 1.607 191 HG21 ILE 23 HG21 ILE 23 -6.436 -3.607 1.654 192 HG22 ILE 23 HG22 ILE 23 -8.005 -3.934 0.918 193 HG23 ILE 23 HG23 ILE 23 -6.658 -3.392 -0.082 194 HD11 ILE 23 HD11 ILE 23 -6.423 -4.753 3.206 195 HD12 ILE 23 HD12 ILE 23 -5.092 -5.879 2.944 196 HD13 ILE 23 HD13 ILE 23 -6.499 -6.378 3.882 197 H HIS 24 HN HIS 24 -6.346 -7.515 -2.507 198 HA HIS 24 HA HIS 24 -5.009 -5.330 -3.946 199 HB2 HIS 24 HB2 HIS 24 -4.445 -8.294 -4.197 200 HB3 HIS 24 HB1 HIS 24 -3.484 -6.971 -4.842 201 HD1 HIS 24 HD1 HIS 24 -1.766 -5.875 -3.242 202 HD2 HIS 24 HD2 HIS 24 -4.208 -8.708 -1.417 203 HE1 HIS 24 HE1 HIS 24 -0.773 -6.307 -0.957 204 H ASP 25 HN ASP 25 -7.839 -6.721 -4.015 205 HA ASP 25 HA ASP 25 -7.992 -6.759 -6.950 206 HB2 ASP 25 HB2 ASP 25 -8.083 -9.060 -6.449 207 HB3 ASP 25 HB1 ASP 25 -9.069 -8.798 -5.014 208 H ILE 26 HN ILE 26 -9.678 -6.305 -3.879 209 HA ILE 26 HA ILE 26 -12.151 -5.514 -4.967 210 HB ILE 26 HB ILE 26 -11.908 -6.251 -2.650 211 HG12 ILE 26 HG12 ILE 26 -12.942 -3.412 -2.726 212 HG13 ILE 26 HG11 ILE 26 -13.806 -4.780 -3.421 213 HG21 ILE 26 HG21 ILE 26 -10.999 -4.789 -0.936 214 HG22 ILE 26 HG22 ILE 26 -10.549 -3.607 -2.167 215 HG23 ILE 26 HG23 ILE 26 -9.774 -5.191 -2.139 216 HD11 ILE 26 HD11 ILE 26 -14.655 -4.213 -1.218 217 HD12 ILE 26 HD12 ILE 26 -13.053 -4.460 -0.527 218 HD13 ILE 26 HD13 ILE 26 -13.932 -5.821 -1.223 219 H ILE 27 HN ILE 27 -12.832 -3.702 -5.846 220 HA ILE 27 HA ILE 27 -11.138 -1.303 -5.656 221 HB ILE 27 HB ILE 27 -13.047 -2.085 -7.870 222 HG12 ILE 27 HG12 ILE 27 -10.980 -3.428 -7.863 223 HG13 ILE 27 HG11 ILE 27 -11.051 -2.352 -9.253 224 HG21 ILE 27 HG21 ILE 27 -12.180 -0.129 -9.056 225 HG22 ILE 27 HG22 ILE 27 -11.206 0.294 -7.647 226 HG23 ILE 27 HG23 ILE 27 -12.968 0.329 -7.546 227 HD11 ILE 27 HD11 ILE 27 -9.566 -0.781 -8.016 228 HD12 ILE 27 HD12 ILE 27 -8.825 -2.334 -8.403 229 HD13 ILE 27 HD13 ILE 27 -9.398 -2.011 -6.766 230 H LEU 28 HN LEU 28 -11.981 0.287 -4.494 231 HA LEU 28 HA LEU 28 -14.890 0.357 -4.086 232 HB2 LEU 28 HB2 LEU 28 -12.626 1.476 -2.435 233 HB3 LEU 28 HB1 LEU 28 -14.311 1.851 -2.133 234 HG LEU 28 HG LEU 28 -14.477 -0.815 -2.041 235 HD11 LEU 28 HD11 LEU 28 -12.530 -1.757 -0.939 236 HD12 LEU 28 HD12 LEU 28 -11.684 -0.216 -1.083 237 HD13 LEU 28 HD13 LEU 28 -12.095 -1.135 -2.532 238 HD21 LEU 28 HD21 LEU 28 -13.511 0.936 0.216 239 HD22 LEU 28 HD22 LEU 28 -14.320 -0.620 0.386 240 HD23 LEU 28 HD23 LEU 28 -15.186 0.751 -0.306 241 H GLU 29 HN GLU 29 -15.876 2.500 -3.907 242 HA GLU 29 HA GLU 29 -14.555 4.468 -5.647 243 HB2 GLU 29 HB2 GLU 29 -16.820 5.156 -6.381 244 HB3 GLU 29 HB1 GLU 29 -16.454 3.489 -6.807 245 HG2 GLU 29 HG2 GLU 29 -17.669 3.394 -4.287 246 HG3 GLU 29 HG1 GLU 29 -18.607 4.541 -5.241 247 H CYS 30 HN CYS 30 -14.985 6.703 -5.155 248 HA CYS 30 HA CYS 30 -14.952 7.270 -2.381 249 HB2 CYS 30 HB2 CYS 30 -13.769 8.711 -3.910 250 HB3 CYS 30 HB1 CYS 30 -15.256 9.091 -4.773 251 H VAL 31 HN VAL 31 -16.427 8.256 -1.067 252 HA VAL 31 HA VAL 31 -19.166 7.637 -1.550 253 HB VAL 31 HB VAL 31 -18.258 7.495 0.692 254 HG11 VAL 31 HG11 VAL 31 -17.713 9.553 1.968 255 HG12 VAL 31 HG12 VAL 31 -17.804 10.463 0.460 256 HG13 VAL 31 HG13 VAL 31 -16.585 9.204 0.660 257 HG21 VAL 31 HG21 VAL 31 -20.308 9.702 0.533 258 HG22 VAL 31 HG22 VAL 31 -19.982 8.677 1.931 259 HG23 VAL 31 HG23 VAL 31 -20.648 7.973 0.458 260 H TYR 32 HN TYR 32 -17.227 10.535 -1.895 261 HA TYR 32 HA TYR 32 -19.671 12.103 -2.359 262 HB2 TYR 32 HB2 TYR 32 -16.835 13.029 -1.875 263 HB3 TYR 32 HB1 TYR 32 -18.201 14.094 -2.188 264 HD1 TYR 32 HD2 TYR 32 -20.336 13.292 -0.569 265 HD2 TYR 32 HD1 TYR 32 -16.183 13.053 0.331 266 HE1 TYR 32 HE2 TYR 32 -20.858 13.325 1.831 267 HE2 TYR 32 HE1 TYR 32 -16.698 13.086 2.736 268 HH TYR 32 HH TYR 32 -18.303 13.408 4.267 269 H CYS 33 HN CYS 33 -16.511 11.419 -3.843 270 HA CYS 33 HA CYS 33 -17.218 12.833 -6.250 271 HB2 CYS 33 HB2 CYS 33 -14.904 10.944 -6.040 272 HB3 CYS 33 HB1 CYS 33 -15.028 12.457 -6.931 273 H LYS 34 HN LYS 34 -17.414 9.580 -5.086 274 HA LYS 34 HA LYS 34 -18.258 7.654 -5.932 275 HB2 LYS 34 HB2 LYS 34 -19.431 9.502 -8.015 276 HB3 LYS 34 HB1 LYS 34 -19.810 7.791 -7.891 277 HG2 LYS 34 HG2 LYS 34 -21.500 8.432 -6.595 278 HG3 LYS 34 HG1 LYS 34 -20.278 8.678 -5.346 279 HD2 LYS 34 HD2 LYS 34 -20.012 11.014 -6.164 280 HD3 LYS 34 HD1 LYS 34 -21.369 10.734 -7.255 281 HE2 LYS 34 HE2 LYS 34 -22.860 10.387 -5.420 282 HE3 LYS 34 HE1 LYS 34 -21.526 10.404 -4.266 283 HZ1 LYS 34 HZ1 LYS 34 -22.721 12.507 -4.284 284 HZ2 LYS 34 HZ2 LYS 34 -22.386 12.708 -5.931 285 HZ3 LYS 34 HZ3 LYS 34 -21.123 12.713 -4.810 286 H GLN 35 HN GLN 35 -15.656 8.795 -6.851 287 HA GLN 35 HA GLN 35 -15.358 7.521 -9.463 288 HB2 GLN 35 HB2 GLN 35 -13.422 9.181 -7.833 289 HB3 GLN 35 HB1 GLN 35 -13.092 8.530 -9.433 290 HG2 GLN 35 HG2 GLN 35 -15.263 10.502 -8.758 291 HG3 GLN 35 HG1 GLN 35 -13.716 10.890 -9.510 292 HE21 GLN 35 HE21 GLN 35 -16.496 11.207 -10.453 293 HE22 GLN 35 HE22 GLN 35 -16.549 10.405 -11.984 294 H GLN 36 HN GLN 36 -13.881 5.837 -9.812 295 HA GLN 36 HA GLN 36 -13.635 4.021 -7.621 296 HB2 GLN 36 HB2 GLN 36 -12.674 3.938 -10.474 297 HB3 GLN 36 HB1 GLN 36 -12.324 2.653 -9.326 298 HG2 GLN 36 HG2 GLN 36 -14.741 2.334 -8.989 299 HG3 GLN 36 HG1 GLN 36 -15.051 3.572 -10.205 300 HE21 GLN 36 HE21 GLN 36 -12.388 1.365 -10.541 301 HE22 GLN 36 HE22 GLN 36 -13.067 0.429 -11.825 302 H LEU 37 HN LEU 37 -12.034 3.786 -6.244 303 HA LEU 37 HA LEU 37 -9.764 5.524 -6.362 304 HB2 LEU 37 HB2 LEU 37 -10.794 3.477 -4.462 305 HB3 LEU 37 HB1 LEU 37 -9.092 3.880 -4.375 306 HG LEU 37 HG LEU 37 -9.825 6.313 -4.147 307 HD11 LEU 37 HD11 LEU 37 -12.112 6.073 -4.925 308 HD12 LEU 37 HD12 LEU 37 -12.084 6.667 -3.263 309 HD13 LEU 37 HD13 LEU 37 -12.469 4.978 -3.589 310 HD21 LEU 37 HD21 LEU 37 -8.945 5.065 -2.277 311 HD22 LEU 37 HD22 LEU 37 -10.517 4.317 -1.997 312 HD23 LEU 37 HD23 LEU 37 -10.307 6.049 -1.742 313 H LEU 38 HN LEU 38 -7.692 5.051 -6.878 314 HA LEU 38 HA LEU 38 -7.249 2.783 -8.563 315 HB2 LEU 38 HB2 LEU 38 -5.129 4.627 -7.486 316 HB3 LEU 38 HB1 LEU 38 -5.084 3.682 -8.959 317 HG LEU 38 HG LEU 38 -6.836 6.091 -8.462 318 HD11 LEU 38 HD11 LEU 38 -4.442 5.719 -10.254 319 HD12 LEU 38 HD12 LEU 38 -4.469 6.634 -8.747 320 HD13 LEU 38 HD13 LEU 38 -5.427 7.175 -10.122 321 HD21 LEU 38 HD21 LEU 38 -7.352 5.882 -10.879 322 HD22 LEU 38 HD22 LEU 38 -7.983 4.552 -9.908 323 HD23 LEU 38 HD23 LEU 38 -6.532 4.322 -10.881 324 H ARG 39 HN ARG 39 -5.551 1.192 -8.236 325 HA ARG 39 HA ARG 39 -5.730 -0.217 -5.863 326 HB2 ARG 39 HB2 ARG 39 -4.944 -1.242 -7.911 327 HB3 ARG 39 HB1 ARG 39 -3.524 -0.206 -7.934 328 HG2 ARG 39 HG2 ARG 39 -2.629 -1.304 -5.988 329 HG3 ARG 39 HG1 ARG 39 -4.101 -2.262 -5.809 330 HD2 ARG 39 HD2 ARG 39 -3.632 -3.556 -7.687 331 HD3 ARG 39 HD1 ARG 39 -2.514 -2.364 -8.345 332 HE ARG 39 HE ARG 39 -1.503 -3.341 -5.905 333 HH11 ARG 39 HH11 ARG 39 -2.099 -4.416 -9.184 334 HH12 ARG 39 HH12 ARG 39 -0.775 -5.536 -9.198 335 HH21 ARG 39 HH21 ARG 39 0.266 -4.802 -5.913 336 HH22 ARG 39 HH22 ARG 39 0.576 -5.752 -7.335 337 H ARG 40 HN ARG 40 -3.475 2.308 -6.763 338 HA ARG 40 HA ARG 40 -1.617 2.021 -4.667 339 HB2 ARG 40 HB2 ARG 40 -1.128 3.331 -6.662 340 HB3 ARG 40 HB1 ARG 40 -2.423 4.455 -6.273 341 HG2 ARG 40 HG2 ARG 40 -1.133 4.938 -4.129 342 HG3 ARG 40 HG1 ARG 40 0.216 4.099 -4.898 343 HD2 ARG 40 HD2 ARG 40 0.454 6.450 -5.321 344 HD3 ARG 40 HD1 ARG 40 -0.001 5.659 -6.830 345 HE ARG 40 HE ARG 40 -2.208 6.736 -5.279 346 HH11 ARG 40 HH11 ARG 40 0.106 7.326 -7.873 347 HH12 ARG 40 HH12 ARG 40 -0.842 8.592 -8.580 348 HH21 ARG 40 HH21 ARG 40 -3.429 8.401 -6.227 349 HH22 ARG 40 HH22 ARG 40 -2.829 9.218 -7.642 350 H GLU 41 HN GLU 41 -4.632 3.844 -4.925 351 HA GLU 41 HA GLU 41 -4.303 5.224 -2.442 352 HB2 GLU 41 HB2 GLU 41 -6.996 4.801 -3.672 353 HB3 GLU 41 HB1 GLU 41 -6.352 6.225 -2.868 354 HG2 GLU 41 HG2 GLU 41 -5.457 5.253 -5.571 355 HG3 GLU 41 HG1 GLU 41 -6.693 6.480 -5.316 356 H VAL 42 HN VAL 42 -5.809 2.246 -3.458 357 HA VAL 42 HA VAL 42 -7.394 1.691 -1.236 358 HB VAL 42 HB VAL 42 -5.888 -0.236 -3.020 359 HG11 VAL 42 HG11 VAL 42 -7.463 -1.940 -2.262 360 HG12 VAL 42 HG12 VAL 42 -8.182 -0.783 -1.140 361 HG13 VAL 42 HG13 VAL 42 -6.515 -1.308 -0.914 362 HG21 VAL 42 HG21 VAL 42 -7.978 -0.449 -4.222 363 HG22 VAL 42 HG22 VAL 42 -7.492 1.246 -4.168 364 HG23 VAL 42 HG23 VAL 42 -8.766 0.659 -3.101 365 H TYR 43 HN TYR 43 -3.944 1.105 -1.784 366 HA TYR 43 HA TYR 43 -3.537 -0.317 0.651 367 HB2 TYR 43 HB2 TYR 43 -1.543 1.113 -1.111 368 HB3 TYR 43 HB1 TYR 43 -1.129 0.023 0.208 369 HD1 TYR 43 HD1 TYR 43 -3.004 -2.176 -0.139 370 HD2 TYR 43 HD2 TYR 43 -0.881 0.062 -3.069 371 HE1 TYR 43 HE1 TYR 43 -3.135 -4.086 -1.681 372 HE2 TYR 43 HE2 TYR 43 -1.008 -1.842 -4.618 373 HH TYR 43 HH TYR 43 -3.080 -4.428 -4.175 374 H ASP 44 HN ASP 44 -3.350 3.064 -0.275 375 HA ASP 44 HA ASP 44 -2.087 3.976 2.093 376 HB2 ASP 44 HB2 ASP 44 -2.730 5.148 -0.275 377 HB3 ASP 44 HB1 ASP 44 -3.986 5.816 0.763 378 H PHE 45 HN PHE 45 -5.419 3.504 1.122 379 HA PHE 45 HA PHE 45 -6.673 4.662 3.368 380 HB2 PHE 45 HB2 PHE 45 -7.772 4.138 1.180 381 HB3 PHE 45 HB1 PHE 45 -7.705 2.432 1.598 382 HD1 PHE 45 HD1 PHE 45 -9.259 5.661 2.392 383 HD2 PHE 45 HD2 PHE 45 -9.242 1.477 3.164 384 HE1 PHE 45 HE1 PHE 45 -11.436 5.861 3.526 385 HE2 PHE 45 HE2 PHE 45 -11.414 1.671 4.296 386 HZ PHE 45 HZ PHE 45 -12.516 3.865 4.477 387 H ALA 46 HN ALA 46 -5.415 1.438 2.733 388 HA ALA 46 HA ALA 46 -6.538 0.322 5.150 389 HB1 ALA 46 HB1 ALA 46 -6.197 -0.985 3.045 390 HB2 ALA 46 HB2 ALA 46 -5.531 -1.731 4.496 391 HB3 ALA 46 HB3 ALA 46 -4.463 -0.913 3.357 392 H PHE 47 HN PHE 47 -3.431 1.583 4.094 393 HA PHE 47 HA PHE 47 -1.939 0.635 6.317 394 HB2 PHE 47 HB2 PHE 47 -1.161 1.619 3.995 395 HB3 PHE 47 HB1 PHE 47 -1.165 3.140 4.881 396 HD1 PHE 47 HD2 PHE 47 0.402 3.521 6.707 397 HD2 PHE 47 HD1 PHE 47 0.449 -0.096 4.464 398 HE1 PHE 47 HE2 PHE 47 2.630 2.997 7.608 399 HE2 PHE 47 HE1 PHE 47 2.676 -0.632 5.361 400 HZ PHE 47 HZ PHE 47 3.772 0.914 6.938 401 H ARG 48 HN ARG 48 -3.796 3.546 5.695 402 HA ARG 48 HA ARG 48 -3.006 4.704 8.252 403 HB2 ARG 48 HB2 ARG 48 -4.951 5.733 6.177 404 HB3 ARG 48 HB1 ARG 48 -4.390 6.618 7.589 405 HG2 ARG 48 HG2 ARG 48 -2.098 6.541 6.682 406 HG3 ARG 48 HG1 ARG 48 -2.727 5.738 5.239 407 HD2 ARG 48 HD2 ARG 48 -4.347 7.790 5.171 408 HD3 ARG 48 HD1 ARG 48 -3.114 8.547 6.178 409 HE ARG 48 HE ARG 48 -2.278 7.303 3.658 410 HH11 ARG 48 HH11 ARG 48 -2.914 10.224 5.499 411 HH12 ARG 48 HH12 ARG 48 -2.027 11.245 4.412 412 HH21 ARG 48 HH21 ARG 48 -1.132 8.640 2.231 413 HH22 ARG 48 HH22 ARG 48 -1.008 10.345 2.552 414 H ASP 49 HN ASP 49 -4.624 5.262 9.867 415 HA ASP 49 HA ASP 49 -6.587 3.162 10.087 416 HB2 ASP 49 HB2 ASP 49 -5.139 4.197 12.005 417 HB3 ASP 49 HB1 ASP 49 -6.420 5.408 12.058 418 H LEU 50 HN LEU 50 -7.848 3.779 8.279 419 HA LEU 50 HA LEU 50 -9.637 6.051 8.816 420 HB2 LEU 50 HB2 LEU 50 -8.445 4.970 6.347 421 HB3 LEU 50 HB1 LEU 50 -10.142 5.393 6.225 422 HG LEU 50 HG LEU 50 -9.552 7.681 7.071 423 HD11 LEU 50 HD11 LEU 50 -6.731 6.742 6.604 424 HD12 LEU 50 HD12 LEU 50 -7.451 7.114 8.170 425 HD13 LEU 50 HD13 LEU 50 -7.230 8.392 6.974 426 HD21 LEU 50 HD21 LEU 50 -8.569 8.424 4.935 427 HD22 LEU 50 HD22 LEU 50 -9.920 7.312 4.720 428 HD23 LEU 50 HD23 LEU 50 -8.265 6.738 4.518 429 H CYS 51 HN CYS 51 -11.889 5.636 7.787 430 HA CYS 51 HA CYS 51 -12.680 2.851 8.288 431 HB2 CYS 51 HB2 CYS 51 -14.163 5.307 9.244 432 HB3 CYS 51 HB1 CYS 51 -14.708 3.643 9.427 433 HG CYS 51 HG CYS 51 -11.896 4.954 10.872 434 H ILE 52 HN ILE 52 -14.462 2.116 7.153 435 HA ILE 52 HA ILE 52 -14.884 3.434 4.616 436 HB ILE 52 HB ILE 52 -16.039 0.847 5.670 437 HG12 ILE 52 HG12 ILE 52 -13.731 1.229 3.761 438 HG13 ILE 52 HG11 ILE 52 -13.522 0.975 5.491 439 HG21 ILE 52 HG21 ILE 52 -15.958 2.013 2.892 440 HG22 ILE 52 HG22 ILE 52 -17.389 1.683 3.871 441 HG23 ILE 52 HG23 ILE 52 -16.409 0.348 3.261 442 HD11 ILE 52 HD11 ILE 52 -13.343 -1.022 3.873 443 HD12 ILE 52 HD12 ILE 52 -15.106 -0.961 3.873 444 HD13 ILE 52 HD13 ILE 52 -14.231 -1.211 5.383 445 H VAL 53 HN VAL 53 -16.697 4.423 3.940 446 HA VAL 53 HA VAL 53 -18.886 4.676 5.886 447 HB VAL 53 HB VAL 53 -19.405 6.792 4.428 448 HG11 VAL 53 HG11 VAL 53 -17.996 8.154 5.916 449 HG12 VAL 53 HG12 VAL 53 -17.112 6.703 6.390 450 HG13 VAL 53 HG13 VAL 53 -18.823 6.865 6.788 451 HG21 VAL 53 HG21 VAL 53 -16.435 6.495 3.959 452 HG22 VAL 53 HG22 VAL 53 -17.431 7.877 3.510 453 HG23 VAL 53 HG23 VAL 53 -17.684 6.321 2.724 454 H TYR 54 HN TYR 54 -20.708 3.682 5.310 455 HA TYR 54 HA TYR 54 -21.015 2.867 2.524 456 HB2 TYR 54 HB2 TYR 54 -22.470 2.030 5.030 457 HB3 TYR 54 HB1 TYR 54 -22.877 1.456 3.418 458 HD1 TYR 54 HD2 TYR 54 -20.174 1.502 5.968 459 HD2 TYR 54 HD1 TYR 54 -21.687 -0.319 2.433 460 HE1 TYR 54 HE2 TYR 54 -18.495 -0.280 6.176 461 HE2 TYR 54 HE1 TYR 54 -20.011 -2.107 2.631 462 HH TYR 54 HH TYR 54 -17.777 -2.228 5.392 463 H ARG 55 HN ARG 55 -22.007 4.264 1.266 464 HA ARG 55 HA ARG 55 -24.012 6.081 2.302 465 HB2 ARG 55 HB2 ARG 55 -22.235 6.605 0.495 466 HB3 ARG 55 HB1 ARG 55 -23.273 5.714 -0.603 467 HG2 ARG 55 HG2 ARG 55 -24.416 7.951 1.003 468 HG3 ARG 55 HG1 ARG 55 -23.447 8.306 -0.427 469 HD2 ARG 55 HD2 ARG 55 -26.024 6.761 -0.254 470 HD3 ARG 55 HD1 ARG 55 -25.701 8.247 -1.144 471 HE ARG 55 HE ARG 55 -23.994 6.412 -2.232 472 HH11 ARG 55 HH11 ARG 55 -27.458 6.644 -1.802 473 HH12 ARG 55 HH12 ARG 55 -27.822 5.638 -3.169 474 HH21 ARG 55 HH21 ARG 55 -24.470 5.088 -4.041 475 HH22 ARG 55 HH22 ARG 55 -26.130 4.751 -4.434 476 H ASP 56 HN ASP 56 -26.006 5.395 2.574 477 HA ASP 56 HA ASP 56 -28.054 4.478 2.215 478 HB2 ASP 56 HB2 ASP 56 -27.668 5.233 -0.176 479 HB3 ASP 56 HB1 ASP 56 -27.099 3.604 -0.514 480 H GLY 57 HN GLY 57 -25.971 2.305 0.332 481 HA2 GLY 57 HA2 GLY 57 -25.814 0.303 2.348 482 HA3 GLY 57 HA1 GLY 57 -27.075 -0.090 1.182 483 H ASN 58 HN ASN 58 -23.957 1.508 0.702 484 HA ASN 58 HA ASN 58 -22.977 -0.799 -0.809 485 HB2 ASN 58 HB2 ASN 58 -23.961 1.623 -2.003 486 HB3 ASN 58 HB1 ASN 58 -22.227 1.507 -2.285 487 HD21 ASN 58 HD21 ASN 58 -24.503 1.274 -4.124 488 HD22 ASN 58 HD22 ASN 58 -24.320 -0.262 -4.897 489 HA PRO 59 HA PRO 59 -19.245 0.378 1.250 490 HB2 PRO 59 HB2 PRO 59 -17.398 -0.881 -0.287 491 HB3 PRO 59 HB1 PRO 59 -18.493 -1.762 0.794 492 HG2 PRO 59 HG2 PRO 59 -18.646 -1.393 -2.147 493 HG3 PRO 59 HG1 PRO 59 -19.015 -2.822 -1.162 494 HD2 PRO 59 HD2 PRO 59 -20.924 -1.139 -2.157 495 HD3 PRO 59 HD1 PRO 59 -21.127 -2.117 -0.694 496 H TYR 60 HN TYR 60 -18.762 2.488 1.104 497 HA TYR 60 HA TYR 60 -17.513 3.443 -1.384 498 HB2 TYR 60 HB2 TYR 60 -19.251 4.875 0.618 499 HB3 TYR 60 HB1 TYR 60 -18.171 5.756 -0.456 500 HD1 TYR 60 HD2 TYR 60 -21.172 3.626 -0.302 501 HD2 TYR 60 HD1 TYR 60 -18.693 6.033 -2.779 502 HE1 TYR 60 HE2 TYR 60 -22.918 3.639 -2.031 503 HE2 TYR 60 HE1 TYR 60 -20.435 6.057 -4.511 504 HH TYR 60 HH TYR 60 -22.359 4.713 -5.206 505 H ALA 61 HN ALA 61 -15.576 4.476 -1.235 506 HA ALA 61 HA ALA 61 -14.303 4.381 1.417 507 HB1 ALA 61 HB1 ALA 61 -12.187 4.113 0.299 508 HB2 ALA 61 HB2 ALA 61 -12.949 4.331 -1.277 509 HB3 ALA 61 HB3 ALA 61 -13.315 2.904 -0.309 510 H VAL 62 HN VAL 62 -12.209 5.955 1.179 511 HA VAL 62 HA VAL 62 -13.318 8.595 0.495 512 HB VAL 62 HB VAL 62 -11.214 8.027 2.597 513 HG11 VAL 62 HG11 VAL 62 -11.712 10.294 3.349 514 HG12 VAL 62 HG12 VAL 62 -12.890 10.470 2.048 515 HG13 VAL 62 HG13 VAL 62 -11.179 10.282 1.667 516 HG21 VAL 62 HG21 VAL 62 -13.390 6.984 3.176 517 HG22 VAL 62 HG22 VAL 62 -14.145 8.573 3.051 518 HG23 VAL 62 HG23 VAL 62 -12.917 8.275 4.279 519 H CYS 63 HN CYS 63 -12.337 9.480 -1.204 520 HA CYS 63 HA CYS 63 -9.900 8.440 -2.279 521 HB2 CYS 63 HB2 CYS 63 -10.171 10.273 -3.943 522 HB3 CYS 63 HB1 CYS 63 -11.627 9.300 -3.764 523 H ASP 64 HN ASP 64 -8.181 10.172 -2.963 524 HA ASP 64 HA ASP 64 -7.051 11.171 -0.551 525 HB2 ASP 64 HB2 ASP 64 -5.154 11.717 -1.784 526 HB3 ASP 64 HB1 ASP 64 -5.837 10.390 -2.715 527 H LYS 65 HN LYS 65 -9.316 12.419 -2.717 528 HA LYS 65 HA LYS 65 -8.773 15.213 -2.296 529 HB2 LYS 65 HB2 LYS 65 -11.311 13.925 -3.312 530 HB3 LYS 65 HB1 LYS 65 -10.823 15.599 -3.520 531 HG2 LYS 65 HG2 LYS 65 -9.247 15.075 -5.132 532 HG3 LYS 65 HG1 LYS 65 -9.137 13.389 -4.623 533 HD2 LYS 65 HD2 LYS 65 -10.325 13.477 -6.711 534 HD3 LYS 65 HD1 LYS 65 -11.465 13.048 -5.438 535 HE2 LYS 65 HE2 LYS 65 -11.137 15.914 -6.203 536 HE3 LYS 65 HE1 LYS 65 -12.073 14.846 -7.246 537 HZ1 LYS 65 HZ1 LYS 65 -12.594 15.399 -4.374 538 HZ2 LYS 65 HZ2 LYS 65 -13.451 14.279 -5.306 539 HZ3 LYS 65 HZ3 LYS 65 -13.523 15.924 -5.687 540 H CYS 66 HN CYS 66 -11.412 13.021 -1.350 541 HA CYS 66 HA CYS 66 -12.512 14.822 0.567 542 HB2 CYS 66 HB2 CYS 66 -13.017 11.864 0.261 543 HB3 CYS 66 HB1 CYS 66 -14.065 13.047 1.041 544 H LEU 67 HN LEU 67 -9.934 12.645 0.626 545 HA LEU 67 HA LEU 67 -9.811 11.552 3.119 546 HB2 LEU 67 HB2 LEU 67 -8.161 11.558 1.103 547 HB3 LEU 67 HB1 LEU 67 -7.405 12.890 1.956 548 HG LEU 67 HG LEU 67 -7.381 11.227 3.971 549 HD11 LEU 67 HD11 LEU 67 -7.558 9.354 1.612 550 HD12 LEU 67 HD12 LEU 67 -8.714 9.488 2.939 551 HD13 LEU 67 HD13 LEU 67 -7.081 8.897 3.246 552 HD21 LEU 67 HD21 LEU 67 -5.387 12.134 2.927 553 HD22 LEU 67 HD22 LEU 67 -5.521 10.971 1.609 554 HD23 LEU 67 HD23 LEU 67 -5.177 10.413 3.246 555 H LYS 68 HN LYS 68 -8.905 14.886 2.252 556 HA LYS 68 HA LYS 68 -8.104 15.493 4.959 557 HB2 LYS 68 HB2 LYS 68 -8.034 17.898 3.921 558 HB3 LYS 68 HB1 LYS 68 -6.799 16.715 3.536 559 HG2 LYS 68 HG2 LYS 68 -9.063 16.639 1.706 560 HG3 LYS 68 HG1 LYS 68 -8.225 18.190 1.734 561 HD2 LYS 68 HD2 LYS 68 -6.065 16.876 1.484 562 HD3 LYS 68 HD1 LYS 68 -7.075 15.472 1.129 563 HE2 LYS 68 HE2 LYS 68 -8.151 16.823 -0.688 564 HE3 LYS 68 HE1 LYS 68 -6.932 18.062 -0.398 565 HZ1 LYS 68 HZ1 LYS 68 -6.227 16.693 -2.198 566 HZ2 LYS 68 HZ2 LYS 68 -6.453 15.278 -1.296 567 HZ3 LYS 68 HZ3 LYS 68 -5.230 16.365 -0.872 568 H PHE 69 HN PHE 69 -11.043 15.473 3.267 569 HA PHE 69 HA PHE 69 -12.265 17.627 4.715 570 HB2 PHE 69 HB2 PHE 69 -13.322 15.559 2.816 571 HB3 PHE 69 HB1 PHE 69 -14.412 16.609 3.715 572 HD1 PHE 69 HD1 PHE 69 -11.573 16.634 1.342 573 HD2 PHE 69 HD2 PHE 69 -14.880 18.776 2.952 574 HE1 PHE 69 HE1 PHE 69 -11.284 18.363 -0.387 575 HE2 PHE 69 HE2 PHE 69 -14.597 20.508 1.230 576 HZ PHE 69 HZ PHE 69 -12.802 20.305 -0.442 577 H TYR 70 HN TYR 70 -12.522 14.076 4.815 578 HA TYR 70 HA TYR 70 -13.554 14.323 7.565 579 HB2 TYR 70 HB2 TYR 70 -14.611 12.681 5.287 580 HB3 TYR 70 HB1 TYR 70 -14.854 12.154 6.948 581 HD1 TYR 70 HD1 TYR 70 -15.577 14.836 4.523 582 HD2 TYR 70 HD2 TYR 70 -16.493 13.182 8.334 583 HE1 TYR 70 HE1 TYR 70 -17.557 16.285 4.667 584 HE2 TYR 70 HE2 TYR 70 -18.476 14.628 8.486 585 HH TYR 70 HH TYR 70 -19.431 16.539 7.595 586 H MET 1 HT1 MET 1 23.887 3.654 -1.347 587 HA MET 1 HA MET 1 24.994 6.363 -0.922 588 HB2 MET 1 HB2 MET 1 22.801 7.240 -1.052 589 HB3 MET 1 HB1 MET 1 22.979 6.202 -2.457 590 HG2 MET 1 HG2 MET 1 21.581 5.437 0.099 591 HG3 MET 1 HG1 MET 1 20.785 5.988 -1.373 592 HE1 MET 1 HE1 MET 1 19.860 3.329 -0.038 593 HE2 MET 1 HE2 MET 1 19.788 2.243 -1.426 594 HE3 MET 1 HE3 MET 1 19.233 3.911 -1.582 595 H PHE 2 HN PHE 2 24.935 3.595 0.581 596 HA PHE 2 HA PHE 2 23.950 4.761 3.102 597 HB2 PHE 2 HB2 PHE 2 23.036 2.406 1.828 598 HB3 PHE 2 HB1 PHE 2 23.964 1.894 3.234 599 HD1 PHE 2 HD2 PHE 2 23.317 2.692 5.491 600 HD2 PHE 2 HD1 PHE 2 20.915 3.421 2.055 601 HE1 PHE 2 HE2 PHE 2 21.399 3.205 6.944 602 HE2 PHE 2 HE1 PHE 2 18.995 3.936 3.501 603 HZ PHE 2 HZ PHE 2 19.238 3.823 5.944 604 H GLN 3 HN GLN 3 25.342 4.746 4.780 605 HA GLN 3 HA GLN 3 27.927 3.432 4.320 606 HB2 GLN 3 HB2 GLN 3 28.499 5.135 6.322 607 HB3 GLN 3 HB1 GLN 3 28.642 5.558 4.625 608 HG2 GLN 3 HG2 GLN 3 27.541 7.356 5.661 609 HG3 GLN 3 HG1 GLN 3 26.303 6.473 4.772 610 HE21 GLN 3 HE21 GLN 3 27.663 7.038 7.961 611 HE22 GLN 3 HE22 GLN 3 26.235 6.624 8.843 612 H ASP 4 HN ASP 4 29.085 2.789 6.356 613 HA ASP 4 HA ASP 4 27.258 1.185 7.962 614 HB2 ASP 4 HB2 ASP 4 30.180 1.103 7.354 615 HB3 ASP 4 HB1 ASP 4 29.621 0.370 8.854 616 HA PRO 5 HA PRO 5 27.477 0.028 9.720 617 HB2 PRO 5 HB2 PRO 5 26.269 0.088 12.276 618 HB3 PRO 5 HB1 PRO 5 27.864 -0.566 11.871 619 HG2 PRO 5 HG2 PRO 5 27.363 1.654 13.481 620 HG3 PRO 5 HG1 PRO 5 28.924 1.189 12.786 621 HD2 PRO 5 HD2 PRO 5 26.983 3.241 11.847 622 HD3 PRO 5 HD1 PRO 5 28.759 3.231 11.759 623 H GLN 6 HN GLN 6 25.272 1.850 11.818 624 HA GLN 6 HA GLN 6 23.094 2.431 11.697 625 HB2 GLN 6 HB2 GLN 6 23.550 2.053 8.746 626 HB3 GLN 6 HB1 GLN 6 22.000 2.549 9.412 627 HG2 GLN 6 HG2 GLN 6 24.573 4.040 9.282 628 HG3 GLN 6 HG1 GLN 6 22.943 4.563 8.862 629 HE21 GLN 6 HE21 GLN 6 21.449 4.929 10.639 630 HE22 GLN 6 HE22 GLN 6 22.068 5.499 12.153 631 H GLU 7 HN GLU 7 24.191 -0.599 10.863 632 HA GLU 7 HA GLU 7 23.340 -2.681 11.124 633 HB2 GLU 7 HB2 GLU 7 22.078 -1.863 13.051 634 HB3 GLU 7 HB1 GLU 7 20.798 -1.288 11.989 635 HG2 GLU 7 HG2 GLU 7 20.394 -3.609 11.267 636 HG3 GLU 7 HG1 GLU 7 21.623 -4.155 12.406 637 H ARG 8 HN ARG 8 20.882 -0.536 9.726 638 HA ARG 8 HA ARG 8 19.762 -0.563 7.761 639 HB2 ARG 8 HB2 ARG 8 21.934 -2.518 7.071 640 HB3 ARG 8 HB1 ARG 8 20.622 -2.183 5.950 641 HG2 ARG 8 HG2 ARG 8 21.306 -0.018 5.578 642 HG3 ARG 8 HG1 ARG 8 22.170 0.082 7.113 643 HD2 ARG 8 HD2 ARG 8 22.999 -1.569 4.730 644 HD3 ARG 8 HD1 ARG 8 23.707 -0.026 5.209 645 HE ARG 8 HE ARG 8 23.754 -2.225 7.132 646 HH11 ARG 8 HH11 ARG 8 25.499 -0.226 4.845 647 HH12 ARG 8 HH12 ARG 8 27.063 -0.621 5.500 648 HH21 ARG 8 HH21 ARG 8 25.802 -2.741 7.988 649 HH22 ARG 8 HH22 ARG 8 27.232 -2.044 7.285 650 HA PRO 9 HA PRO 9 17.208 -4.040 9.340 651 HB2 PRO 9 HB2 PRO 9 14.859 -2.660 9.028 652 HB3 PRO 9 HB1 PRO 9 15.864 -2.560 10.486 653 HG2 PRO 9 HG2 PRO 9 15.691 -0.677 8.192 654 HG3 PRO 9 HG1 PRO 9 15.810 -0.337 9.929 655 HD2 PRO 9 HD2 PRO 9 17.936 -0.153 8.296 656 HD3 PRO 9 HD1 PRO 9 18.082 -0.679 9.985 657 H ARG 10 HN ARG 10 15.818 -5.424 8.201 658 HA ARG 10 HA ARG 10 15.951 -5.087 5.310 659 HB2 ARG 10 HB2 ARG 10 15.215 -7.434 7.055 660 HB3 ARG 10 HB1 ARG 10 15.123 -7.467 5.299 661 HG2 ARG 10 HG2 ARG 10 17.683 -6.521 5.883 662 HG3 ARG 10 HG1 ARG 10 17.392 -7.845 7.012 663 HD2 ARG 10 HD2 ARG 10 17.099 -7.954 4.016 664 HD3 ARG 10 HD1 ARG 10 18.400 -8.673 4.965 665 HE ARG 10 HE ARG 10 15.901 -9.633 5.864 666 HH11 ARG 10 HH11 ARG 10 18.128 -9.924 3.181 667 HH12 ARG 10 HH12 ARG 10 17.635 -11.537 2.778 668 HH21 ARG 10 HH21 ARG 10 15.236 -11.740 5.348 669 HH22 ARG 10 HH22 ARG 10 15.976 -12.576 4.019 670 H LYS 11 HN LYS 11 14.027 -3.696 7.205 671 HA LYS 11 HA LYS 11 11.572 -4.396 5.743 672 HB2 LYS 11 HB2 LYS 11 11.763 -3.416 8.603 673 HB3 LYS 11 HB1 LYS 11 10.270 -3.729 7.728 674 HG2 LYS 11 HG2 LYS 11 12.364 -5.806 8.344 675 HG3 LYS 11 HG1 LYS 11 10.892 -5.543 9.279 676 HD2 LYS 11 HD2 LYS 11 9.516 -6.297 7.550 677 HD3 LYS 11 HD1 LYS 11 10.774 -6.088 6.332 678 HE2 LYS 11 HE2 LYS 11 12.031 -7.939 7.300 679 HE3 LYS 11 HE1 LYS 11 10.808 -8.131 8.552 680 HZ1 LYS 11 HZ1 LYS 11 10.509 -9.734 6.780 681 HZ2 LYS 11 HZ2 LYS 11 10.374 -8.496 5.636 682 HZ3 LYS 11 HZ3 LYS 11 9.188 -8.674 6.839 683 H LEU 12 HN LEU 12 10.672 -2.816 4.638 684 HA LEU 12 HA LEU 12 11.955 -0.453 4.055 685 HB2 LEU 12 HB2 LEU 12 10.000 -1.735 2.885 686 HB3 LEU 12 HB1 LEU 12 8.994 -0.605 3.771 687 HG LEU 12 HG LEU 12 10.395 1.248 2.720 688 HD11 LEU 12 HD11 LEU 12 11.509 0.675 0.619 689 HD12 LEU 12 HD12 LEU 12 11.208 -1.036 0.923 690 HD13 LEU 12 HD13 LEU 12 12.271 -0.123 1.993 691 HD21 LEU 12 HD21 LEU 12 8.503 -0.532 1.236 692 HD22 LEU 12 HD22 LEU 12 9.194 0.893 0.465 693 HD23 LEU 12 HD23 LEU 12 8.224 1.067 1.926 694 HA PRO 13 HA PRO 13 8.710 1.984 6.877 695 HB2 PRO 13 HB2 PRO 13 8.291 0.466 9.216 696 HB3 PRO 13 HB1 PRO 13 7.098 0.799 7.950 697 HG2 PRO 13 HG2 PRO 13 8.746 -1.612 8.394 698 HG3 PRO 13 HG1 PRO 13 7.114 -1.457 7.715 699 HD2 PRO 13 HD2 PRO 13 9.240 -1.957 6.162 700 HD3 PRO 13 HD1 PRO 13 7.890 -0.945 5.606 701 H GLN 14 HN GLN 14 10.889 -0.337 8.494 702 HA GLN 14 HA GLN 14 11.866 1.582 10.358 703 HB2 GLN 14 HB2 GLN 14 12.739 -1.189 9.568 704 HB3 GLN 14 HB1 GLN 14 13.697 -0.218 10.677 705 HG2 GLN 14 HG2 GLN 14 12.428 -1.318 12.197 706 HG3 GLN 14 HG1 GLN 14 11.351 0.042 11.884 707 HE21 GLN 14 HE21 GLN 14 10.590 -2.500 12.872 708 HE22 GLN 14 HE22 GLN 14 9.512 -3.199 11.719 709 H LEU 15 HN LEU 15 12.815 0.604 7.150 710 HA LEU 15 HA LEU 15 15.444 1.678 7.209 711 HB2 LEU 15 HB2 LEU 15 14.582 0.009 5.546 712 HB3 LEU 15 HB1 LEU 15 13.668 1.305 4.794 713 HG LEU 15 HG LEU 15 15.959 2.484 4.556 714 HD11 LEU 15 HD11 LEU 15 17.191 0.962 6.026 715 HD12 LEU 15 HD12 LEU 15 17.867 0.992 4.398 716 HD13 LEU 15 HD13 LEU 15 16.869 -0.368 4.912 717 HD21 LEU 15 HD21 LEU 15 15.314 0.025 2.939 718 HD22 LEU 15 HD22 LEU 15 16.363 1.349 2.435 719 HD23 LEU 15 HD23 LEU 15 14.641 1.634 2.689 720 H CYS 16 HN CYS 16 12.275 2.981 6.493 721 HA CYS 16 HA CYS 16 13.012 5.395 5.285 722 HB2 CYS 16 HB2 CYS 16 10.641 4.869 7.091 723 HB3 CYS 16 HB1 CYS 16 10.797 6.205 5.955 724 HG CYS 16 HG CYS 16 10.813 2.936 4.960 725 H THR 17 HN THR 17 12.830 4.452 8.674 726 HA THR 17 HA THR 17 13.147 7.041 9.760 727 HB THR 17 HB THR 17 14.277 5.094 11.514 728 HG1 THR 17 HG1 THR 17 13.324 3.412 10.513 729 HG21 THR 17 HG21 THR 17 12.213 5.576 12.805 730 HG22 THR 17 HG22 THR 17 11.586 6.459 11.413 731 HG23 THR 17 HG23 THR 17 13.028 7.037 12.245 732 H GLU 18 HN GLU 18 15.413 4.669 8.554 733 HA GLU 18 HA GLU 18 17.752 5.834 9.699 734 HB2 GLU 18 HB2 GLU 18 17.431 4.060 7.267 735 HB3 GLU 18 HB1 GLU 18 18.970 4.478 8.006 736 HG2 GLU 18 HG2 GLU 18 16.745 2.960 9.338 737 HG3 GLU 18 HG1 GLU 18 18.206 2.255 8.650 738 H LEU 19 HN LEU 19 15.934 6.256 6.758 739 HA LEU 19 HA LEU 19 17.866 8.083 5.608 740 HB2 LEU 19 HB2 LEU 19 15.168 7.090 4.707 741 HB3 LEU 19 HB1 LEU 19 16.087 8.285 3.814 742 HG LEU 19 HG LEU 19 17.222 5.571 4.462 743 HD11 LEU 19 HD11 LEU 19 16.553 4.875 2.215 744 HD12 LEU 19 HD12 LEU 19 15.666 6.386 2.015 745 HD13 LEU 19 HD13 LEU 19 15.155 5.218 3.235 746 HD21 LEU 19 HD21 LEU 19 17.876 7.648 2.374 747 HD22 LEU 19 HD22 LEU 19 18.663 6.080 2.539 748 HD23 LEU 19 HD23 LEU 19 18.824 7.285 3.816 749 H GLN 20 HN GLN 20 15.618 8.316 7.953 750 HA GLN 20 HA GLN 20 14.567 10.002 9.035 751 HB2 GLN 20 HB2 GLN 20 16.286 11.840 7.363 752 HB3 GLN 20 HB1 GLN 20 15.492 12.232 8.882 753 HG2 GLN 20 HG2 GLN 20 17.575 10.083 8.643 754 HG3 GLN 20 HG1 GLN 20 17.965 11.765 8.989 755 HE21 GLN 20 HE21 GLN 20 18.839 11.181 10.984 756 HE22 GLN 20 HE22 GLN 20 17.832 10.765 12.328 757 H THR 21 HN THR 21 13.262 8.953 6.794 758 HA THR 21 HA THR 21 11.601 11.254 6.097 759 HB THR 21 HB THR 21 13.164 10.882 4.201 760 HG1 THR 21 HG1 THR 21 11.584 11.263 2.764 761 HG21 THR 21 HG21 THR 21 13.443 8.463 4.419 762 HG22 THR 21 HG22 THR 21 12.916 8.897 2.792 763 HG23 THR 21 HG23 THR 21 11.762 8.219 3.943 764 H THR 22 HN THR 22 9.755 10.011 4.508 765 HA THR 22 HA THR 22 8.663 7.931 6.289 766 HB THR 22 HB THR 22 6.430 8.785 5.216 767 HG1 THR 22 HG1 THR 22 7.629 11.299 5.238 768 HG21 THR 22 HG21 THR 22 7.918 10.348 7.329 769 HG22 THR 22 HG22 THR 22 6.924 8.916 7.594 770 HG23 THR 22 HG23 THR 22 6.179 10.418 7.048 771 H ILE 23 HN ILE 23 6.829 6.701 5.047 772 HA ILE 23 HA ILE 23 8.116 5.311 2.911 773 HB ILE 23 HB ILE 23 5.232 5.018 3.755 774 HG12 ILE 23 HG12 ILE 23 7.624 3.581 4.923 775 HG13 ILE 23 HG11 ILE 23 6.820 4.937 5.704 776 HG21 ILE 23 HG21 ILE 23 5.540 2.693 3.025 777 HG22 ILE 23 HG22 ILE 23 7.191 3.074 2.537 778 HG23 ILE 23 HG23 ILE 23 5.832 3.838 1.715 779 HD11 ILE 23 HD11 ILE 23 4.759 3.640 5.823 780 HD12 ILE 23 HD12 ILE 23 6.092 2.828 6.643 781 HD13 ILE 23 HD13 ILE 23 5.570 2.280 5.048 782 H HIS 24 HN HIS 24 6.365 8.149 2.952 783 HA HIS 24 HA HIS 24 5.243 7.751 0.274 784 HB2 HIS 24 HB2 HIS 24 4.904 10.310 1.795 785 HB3 HIS 24 HB1 HIS 24 3.811 9.537 0.657 786 HD1 HIS 24 HD1 HIS 24 2.208 7.684 1.619 787 HD2 HIS 24 HD2 HIS 24 4.649 9.537 4.436 788 HE1 HIS 24 HE1 HIS 24 1.281 7.067 3.890 789 H ASP 25 HN ASP 25 8.079 8.782 1.640 790 HA ASP 25 HA ASP 25 8.654 10.510 -0.677 791 HB2 ASP 25 HB2 ASP 25 8.370 11.920 1.295 792 HB3 ASP 25 HB1 ASP 25 9.551 10.962 2.179 793 H ILE 26 HN ILE 26 9.520 7.774 1.103 794 HA ILE 26 HA ILE 26 12.327 7.787 0.773 795 HB ILE 26 HB ILE 26 11.348 6.260 2.362 796 HG12 ILE 26 HG12 ILE 26 12.571 4.715 0.061 797 HG13 ILE 26 HG11 ILE 26 13.472 5.603 1.284 798 HG21 ILE 26 HG21 ILE 26 9.219 5.867 1.227 799 HG22 ILE 26 HG22 ILE 26 9.983 4.354 1.712 800 HG23 ILE 26 HG23 ILE 26 10.043 4.871 0.027 801 HD11 ILE 26 HD11 ILE 26 12.597 4.102 3.004 802 HD12 ILE 26 HD12 ILE 26 13.478 3.231 1.750 803 HD13 ILE 26 HD13 ILE 26 11.717 3.209 1.765 804 H ILE 27 HN ILE 27 13.503 7.605 -0.989 805 HA ILE 27 HA ILE 27 12.244 6.560 -3.427 806 HB ILE 27 HB ILE 27 14.684 8.326 -3.177 807 HG12 ILE 27 HG12 ILE 27 12.630 9.507 -2.541 808 HG13 ILE 27 HG11 ILE 27 13.251 10.113 -4.072 809 HG21 ILE 27 HG21 ILE 27 14.735 6.878 -5.148 810 HG22 ILE 27 HG22 ILE 27 14.533 8.571 -5.591 811 HG23 ILE 27 HG23 ILE 27 13.149 7.480 -5.632 812 HD11 ILE 27 HD11 ILE 27 11.586 8.752 -5.260 813 HD12 ILE 27 HD12 ILE 27 10.849 9.913 -4.155 814 HD13 ILE 27 HD13 ILE 27 10.944 8.209 -3.708 815 H LEU 28 HN LEU 28 12.682 4.466 -3.604 816 HA LEU 28 HA LEU 28 15.488 3.624 -3.319 817 HB2 LEU 28 HB2 LEU 28 13.307 2.716 -1.829 818 HB3 LEU 28 HB1 LEU 28 13.563 1.466 -3.032 819 HG LEU 28 HG LEU 28 15.950 1.332 -2.303 820 HD11 LEU 28 HD11 LEU 28 16.187 3.547 -1.344 821 HD12 LEU 28 HD12 LEU 28 16.540 2.314 -0.131 822 HD13 LEU 28 HD13 LEU 28 14.993 3.161 -0.104 823 HD21 LEU 28 HD21 LEU 28 14.349 -0.276 -1.486 824 HD22 LEU 28 HD22 LEU 28 13.836 0.832 -0.214 825 HD23 LEU 28 HD23 LEU 28 15.464 0.154 -0.189 826 H GLU 29 HN GLU 29 16.314 2.424 -4.987 827 HA GLU 29 HA GLU 29 14.599 2.204 -7.342 828 HB2 GLU 29 HB2 GLU 29 16.652 1.982 -8.633 829 HB3 GLU 29 HB1 GLU 29 16.710 3.418 -7.626 830 HG2 GLU 29 HG2 GLU 29 18.250 2.453 -6.143 831 HG3 GLU 29 HG1 GLU 29 17.963 0.830 -6.772 832 H CYS 30 HN CYS 30 14.985 0.322 -8.771 833 HA CYS 30 HA CYS 30 14.579 -2.101 -7.321 834 HB2 CYS 30 HB2 CYS 30 13.398 -1.730 -9.410 835 HB3 CYS 30 HB1 CYS 30 14.916 -1.559 -10.278 836 H VAL 31 HN VAL 31 15.888 -3.864 -7.172 837 HA VAL 31 HA VAL 31 18.688 -3.365 -7.128 838 HB VAL 31 HB VAL 31 17.807 -4.804 -5.459 839 HG11 VAL 31 HG11 VAL 31 16.981 -7.165 -6.565 840 HG12 VAL 31 HG12 VAL 31 16.325 -5.961 -7.677 841 HG13 VAL 31 HG13 VAL 31 15.929 -5.881 -5.963 842 HG21 VAL 31 HG21 VAL 31 19.170 -6.777 -5.636 843 HG22 VAL 31 HG22 VAL 31 20.045 -5.409 -6.321 844 HG23 VAL 31 HG23 VAL 31 19.284 -6.591 -7.386 845 H TYR 32 HN TYR 32 16.521 -4.685 -9.491 846 HA TYR 32 HA TYR 32 18.810 -5.660 -11.071 847 HB2 TYR 32 HB2 TYR 32 15.912 -6.429 -11.020 848 HB3 TYR 32 HB1 TYR 32 16.875 -6.722 -12.462 849 HD1 TYR 32 HD1 TYR 32 16.877 -7.363 -8.792 850 HD2 TYR 32 HD2 TYR 32 18.087 -8.696 -12.640 851 HE1 TYR 32 HE1 TYR 32 17.701 -9.451 -7.797 852 HE2 TYR 32 HE2 TYR 32 18.916 -10.792 -11.659 853 HH TYR 32 HH TYR 32 19.691 -11.625 -9.486 854 H CYS 33 HN CYS 33 15.682 -4.006 -11.519 855 HA CYS 33 HA CYS 33 16.303 -3.099 -14.141 856 HB2 CYS 33 HB2 CYS 33 14.219 -1.945 -12.296 857 HB3 CYS 33 HB1 CYS 33 14.216 -1.956 -14.057 858 H LYS 34 HN LYS 34 16.963 -1.874 -10.986 859 HA LYS 34 HA LYS 34 18.077 -0.049 -10.223 860 HB2 LYS 34 HB2 LYS 34 19.230 -0.661 -12.784 861 HB3 LYS 34 HB1 LYS 34 19.258 1.075 -12.518 862 HG2 LYS 34 HG2 LYS 34 21.313 -0.026 -11.766 863 HG3 LYS 34 HG1 LYS 34 20.459 0.782 -10.448 864 HD2 LYS 34 HD2 LYS 34 19.547 -1.348 -9.704 865 HD3 LYS 34 HD1 LYS 34 20.315 -2.172 -11.065 866 HE2 LYS 34 HE2 LYS 34 21.472 -2.275 -8.775 867 HE3 LYS 34 HE1 LYS 34 22.453 -1.887 -10.186 868 HZ1 LYS 34 HZ1 LYS 34 22.532 0.364 -9.588 869 HZ2 LYS 34 HZ2 LYS 34 22.795 -0.470 -8.141 870 HZ3 LYS 34 HZ3 LYS 34 21.275 0.221 -8.457 871 H GLN 35 HN GLN 35 15.346 0.260 -11.221 872 HA GLN 35 HA GLN 35 15.409 3.105 -11.970 873 HB2 GLN 35 HB2 GLN 35 13.166 2.816 -12.865 874 HB3 GLN 35 HB1 GLN 35 14.266 1.667 -13.606 875 HG2 GLN 35 HG2 GLN 35 13.382 -0.124 -12.343 876 HG3 GLN 35 HG1 GLN 35 12.468 0.969 -11.305 877 HE21 GLN 35 HE21 GLN 35 11.579 2.657 -13.480 878 HE22 GLN 35 HE22 GLN 35 10.385 1.761 -14.348 879 H GLN 36 HN GLN 36 13.953 4.536 -10.901 880 HA GLN 36 HA GLN 36 13.731 4.018 -8.110 881 HB2 GLN 36 HB2 GLN 36 12.492 6.254 -9.721 882 HB3 GLN 36 HB1 GLN 36 12.681 6.221 -7.975 883 HG2 GLN 36 HG2 GLN 36 15.167 6.074 -8.363 884 HG3 GLN 36 HG1 GLN 36 14.836 6.411 -10.060 885 HE21 GLN 36 HE21 GLN 36 12.593 8.193 -9.377 886 HE22 GLN 36 HE22 GLN 36 13.316 9.660 -8.812 887 H LEU 37 HN LEU 37 12.117 3.130 -7.001 888 HA LEU 37 HA LEU 37 9.785 2.165 -8.374 889 HB2 LEU 37 HB2 LEU 37 10.949 1.889 -5.656 890 HB3 LEU 37 HB1 LEU 37 9.215 1.674 -5.793 891 HG LEU 37 HG LEU 37 9.700 -0.047 -7.597 892 HD11 LEU 37 HD11 LEU 37 11.894 -1.068 -7.604 893 HD12 LEU 37 HD12 LEU 37 12.471 0.111 -6.426 894 HD13 LEU 37 HD13 LEU 37 12.011 0.633 -8.047 895 HD21 LEU 37 HD21 LEU 37 10.217 -1.801 -5.946 896 HD22 LEU 37 HD22 LEU 37 8.973 -0.684 -5.383 897 HD23 LEU 37 HD23 LEU 37 10.621 -0.549 -4.774 898 H LEU 38 HN LEU 38 7.743 2.962 -8.311 899 HA LEU 38 HA LEU 38 7.420 5.664 -7.364 900 HB2 LEU 38 HB2 LEU 38 5.766 3.773 -8.977 901 HB3 LEU 38 HB1 LEU 38 4.987 5.153 -8.228 902 HG LEU 38 HG LEU 38 6.665 6.620 -9.415 903 HD11 LEU 38 HD11 LEU 38 7.230 4.086 -10.948 904 HD12 LEU 38 HD12 LEU 38 8.350 4.897 -9.853 905 HD13 LEU 38 HD13 LEU 38 7.830 5.699 -11.335 906 HD21 LEU 38 HD21 LEU 38 4.848 4.937 -11.134 907 HD22 LEU 38 HD22 LEU 38 5.489 6.529 -11.548 908 HD23 LEU 38 HD23 LEU 38 4.366 6.351 -10.198 909 H ARG 39 HN ARG 39 5.300 6.210 -6.243 910 HA ARG 39 HA ARG 39 5.356 5.227 -3.647 911 HB2 ARG 39 HB2 ARG 39 4.399 7.424 -4.534 912 HB3 ARG 39 HB1 ARG 39 2.937 6.517 -4.890 913 HG2 ARG 39 HG2 ARG 39 2.549 6.061 -2.600 914 HG3 ARG 39 HG1 ARG 39 4.157 6.624 -2.146 915 HD2 ARG 39 HD2 ARG 39 2.877 8.439 -1.557 916 HD3 ARG 39 HD1 ARG 39 3.347 8.875 -3.197 917 HE ARG 39 HE ARG 39 0.734 7.636 -2.581 918 HH11 ARG 39 HH11 ARG 39 2.645 10.126 -4.142 919 HH12 ARG 39 HH12 ARG 39 1.288 10.835 -4.953 920 HH21 ARG 39 HH21 ARG 39 -1.054 8.590 -3.632 921 HH22 ARG 39 HH22 ARG 39 -0.813 9.969 -4.662 922 H ARG 40 HN ARG 40 3.608 4.018 -6.400 923 HA ARG 40 HA ARG 40 1.598 2.587 -4.996 924 HB2 ARG 40 HB2 ARG 40 1.192 3.034 -7.278 925 HB3 ARG 40 HB1 ARG 40 2.751 2.391 -7.766 926 HG2 ARG 40 HG2 ARG 40 1.851 0.144 -6.891 927 HG3 ARG 40 HG1 ARG 40 0.270 0.920 -6.987 928 HD2 ARG 40 HD2 ARG 40 0.806 -0.338 -9.024 929 HD3 ARG 40 HD1 ARG 40 0.612 1.385 -9.342 930 HE ARG 40 HE ARG 40 3.322 0.984 -8.902 931 HH11 ARG 40 HH11 ARG 40 0.894 -0.127 -11.182 932 HH12 ARG 40 HH12 ARG 40 2.031 -0.364 -12.472 933 HH21 ARG 40 HH21 ARG 40 4.827 0.672 -10.582 934 HH22 ARG 40 HH22 ARG 40 4.271 0.101 -12.133 935 H GLU 41 HN GLU 41 4.655 1.510 -6.483 936 HA GLU 41 HA GLU 41 4.432 -1.137 -5.462 937 HB2 GLU 41 HB2 GLU 41 7.052 -0.985 -6.031 938 HB3 GLU 41 HB1 GLU 41 5.816 -1.241 -7.249 939 HG2 GLU 41 HG2 GLU 41 6.649 1.538 -6.564 940 HG3 GLU 41 HG1 GLU 41 7.674 0.546 -7.598 941 H VAL 42 HN VAL 42 5.989 1.800 -4.322 942 HA VAL 42 HA VAL 42 7.541 0.655 -2.273 943 HB VAL 42 HB VAL 42 6.294 3.405 -2.487 944 HG11 VAL 42 HG11 VAL 42 6.715 2.779 -0.118 945 HG12 VAL 42 HG12 VAL 42 7.707 4.127 -0.676 946 HG13 VAL 42 HG13 VAL 42 8.410 2.515 -0.528 947 HG21 VAL 42 HG21 VAL 42 8.611 4.085 -3.008 948 HG22 VAL 42 HG22 VAL 42 7.962 2.936 -4.179 949 HG23 VAL 42 HG23 VAL 42 9.097 2.390 -2.945 950 H TYR 43 HN TYR 43 4.191 1.753 -2.367 951 HA TYR 43 HA TYR 43 3.579 1.394 0.358 952 HB2 TYR 43 HB2 TYR 43 1.980 1.524 -2.166 953 HB3 TYR 43 HB1 TYR 43 1.190 1.001 -0.688 954 HD1 TYR 43 HD2 TYR 43 3.757 3.312 0.078 955 HD2 TYR 43 HD1 TYR 43 -0.221 3.050 -1.396 956 HE1 TYR 43 HE2 TYR 43 3.377 5.658 0.705 957 HE2 TYR 43 HE1 TYR 43 -0.609 5.389 -0.779 958 HH TYR 43 HH TYR 43 0.175 7.118 0.443 959 H ASP 44 HN ASP 44 3.264 -0.754 -2.433 960 HA ASP 44 HA ASP 44 2.025 -2.912 -1.152 961 HB2 ASP 44 HB2 ASP 44 2.739 -2.368 -3.707 962 HB3 ASP 44 HB1 ASP 44 3.963 -3.561 -3.292 963 H PHE 45 HN PHE 45 5.423 -2.098 -1.551 964 HA PHE 45 HA PHE 45 6.496 -4.476 -0.481 965 HB2 PHE 45 HB2 PHE 45 7.607 -2.482 -1.808 966 HB3 PHE 45 HB1 PHE 45 7.943 -1.877 -0.191 967 HD1 PHE 45 HD1 PHE 45 9.494 -3.033 1.272 968 HD2 PHE 45 HD2 PHE 45 8.683 -4.468 -2.645 969 HE1 PHE 45 HE1 PHE 45 11.475 -4.483 1.397 970 HE2 PHE 45 HE2 PHE 45 10.661 -5.922 -2.527 971 HZ PHE 45 HZ PHE 45 12.060 -5.932 -0.505 972 H ALA 46 HN ALA 46 5.375 -1.506 1.022 973 HA ALA 46 HA ALA 46 6.440 -2.244 3.616 974 HB1 ALA 46 HB1 ALA 46 6.343 0.121 2.884 975 HB2 ALA 46 HB2 ALA 46 5.507 -0.171 4.408 976 HB3 ALA 46 HB3 ALA 46 4.580 0.030 2.922 977 H PHE 47 HN PHE 47 3.367 -2.286 1.926 978 HA PHE 47 HA PHE 47 1.741 -2.907 4.170 979 HB2 PHE 47 HB2 PHE 47 0.972 -2.002 1.919 980 HB3 PHE 47 HB1 PHE 47 1.163 -3.634 1.294 981 HD1 PHE 47 HD1 PHE 47 -0.524 -1.790 4.049 982 HD2 PHE 47 HD2 PHE 47 -0.636 -5.061 1.335 983 HE1 PHE 47 HE1 PHE 47 -2.793 -2.331 4.814 984 HE2 PHE 47 HE2 PHE 47 -2.912 -5.615 2.094 985 HZ PHE 47 HZ PHE 47 -3.994 -4.248 3.837 986 H ARG 48 HN ARG 48 3.232 -4.915 1.640 987 HA ARG 48 HA ARG 48 2.413 -7.328 3.055 988 HB2 ARG 48 HB2 ARG 48 3.858 -6.912 0.432 989 HB3 ARG 48 HB1 ARG 48 3.537 -8.497 1.125 990 HG2 ARG 48 HG2 ARG 48 1.097 -7.885 1.110 991 HG3 ARG 48 HG1 ARG 48 1.542 -6.471 0.153 992 HD2 ARG 48 HD2 ARG 48 2.591 -9.061 -0.794 993 HD3 ARG 48 HD1 ARG 48 0.845 -8.848 -0.909 994 HE ARG 48 HE ARG 48 1.781 -6.555 -1.997 995 HH11 ARG 48 HH11 ARG 48 2.561 -9.927 -2.570 996 HH12 ARG 48 HH12 ARG 48 2.916 -9.692 -4.249 997 HH21 ARG 48 HH21 ARG 48 2.240 -6.239 -4.207 998 HH22 ARG 48 HH22 ARG 48 2.759 -7.585 -5.182 999 H ASP 49 HN ASP 49 3.779 -8.625 4.205 1000 HA ASP 49 HA ASP 49 6.208 -7.453 5.138 1001 HB2 ASP 49 HB2 ASP 49 4.722 -8.881 6.548 1002 HB3 ASP 49 HB1 ASP 49 5.221 -10.274 5.593 1003 H LEU 50 HN LEU 50 7.553 -7.220 3.382 1004 HA LEU 50 HA LEU 50 8.579 -9.704 2.186 1005 HB2 LEU 50 HB2 LEU 50 8.128 -6.979 1.132 1006 HB3 LEU 50 HB1 LEU 50 9.606 -7.761 0.610 1007 HG LEU 50 HG LEU 50 7.880 -9.753 0.111 1008 HD11 LEU 50 HD11 LEU 50 5.932 -8.518 0.882 1009 HD12 LEU 50 HD12 LEU 50 5.833 -8.828 -0.852 1010 HD13 LEU 50 HD13 LEU 50 6.284 -7.227 -0.266 1011 HD21 LEU 50 HD21 LEU 50 8.408 -7.397 -1.690 1012 HD22 LEU 50 HD22 LEU 50 7.876 -8.995 -2.208 1013 HD23 LEU 50 HD23 LEU 50 9.462 -8.791 -1.468 1014 H CYS 51 HN CYS 51 10.962 -9.114 1.294 1015 HA CYS 51 HA CYS 51 12.451 -8.079 3.612 1016 HB2 CYS 51 HB2 CYS 51 13.362 -10.304 1.782 1017 HB3 CYS 51 HB1 CYS 51 14.128 -9.770 3.273 1018 HG CYS 51 HG CYS 51 12.348 -12.302 3.058 1019 H ILE 52 HN ILE 52 14.092 -6.682 3.199 1020 HA ILE 52 HA ILE 52 14.236 -5.557 0.549 1021 HB ILE 52 HB ILE 52 15.745 -4.862 3.078 1022 HG12 ILE 52 HG12 ILE 52 13.415 -3.492 1.715 1023 HG13 ILE 52 HG11 ILE 52 13.327 -4.436 3.200 1024 HG21 ILE 52 HG21 ILE 52 17.031 -4.215 1.113 1025 HG22 ILE 52 HG22 ILE 52 16.398 -2.794 1.941 1026 HG23 ILE 52 HG23 ILE 52 15.631 -3.366 0.459 1027 HD11 ILE 52 HD11 ILE 52 14.798 -2.820 4.299 1028 HD12 ILE 52 HD12 ILE 52 13.326 -2.067 3.685 1029 HD13 ILE 52 HD13 ILE 52 14.848 -1.870 2.817 1030 H VAL 53 HN VAL 53 15.774 -5.886 -0.933 1031 HA VAL 53 HA VAL 53 17.833 -7.867 -0.352 1032 HB VAL 53 HB VAL 53 18.268 -7.566 -2.902 1033 HG11 VAL 53 HG11 VAL 53 17.300 -9.564 -1.905 1034 HG12 VAL 53 HG12 VAL 53 16.494 -9.175 -3.423 1035 HG13 VAL 53 HG13 VAL 53 15.710 -8.800 -1.890 1036 HG21 VAL 53 HG21 VAL 53 16.937 -5.517 -3.144 1037 HG22 VAL 53 HG22 VAL 53 15.486 -6.416 -2.691 1038 HG23 VAL 53 HG23 VAL 53 16.343 -6.813 -4.182 1039 H TYR 54 HN TYR 54 19.987 -7.423 -0.339 1040 HA TYR 54 HA TYR 54 20.702 -4.582 -0.594 1041 HB2 TYR 54 HB2 TYR 54 21.685 -6.757 1.225 1042 HB3 TYR 54 HB1 TYR 54 22.694 -5.353 0.892 1043 HD1 TYR 54 HD2 TYR 54 19.298 -6.291 2.107 1044 HD2 TYR 54 HD1 TYR 54 22.425 -3.411 2.126 1045 HE1 TYR 54 HE2 TYR 54 18.090 -5.001 3.819 1046 HE2 TYR 54 HE1 TYR 54 21.229 -2.114 3.833 1047 HH TYR 54 HH TYR 54 18.364 -3.319 5.408 1048 H ARG 55 HN ARG 55 21.687 -4.194 -2.477 1049 HA ARG 55 HA ARG 55 23.240 -6.285 -3.754 1050 HB2 ARG 55 HB2 ARG 55 21.781 -4.161 -4.737 1051 HB3 ARG 55 HB1 ARG 55 23.439 -3.607 -4.916 1052 HG2 ARG 55 HG2 ARG 55 22.387 -6.224 -5.976 1053 HG3 ARG 55 HG1 ARG 55 22.550 -4.744 -6.922 1054 HD2 ARG 55 HD2 ARG 55 24.502 -5.873 -7.444 1055 HD3 ARG 55 HD1 ARG 55 25.027 -4.820 -6.133 1056 HE ARG 55 HE ARG 55 24.165 -7.418 -5.246 1057 HH11 ARG 55 HH11 ARG 55 26.878 -5.563 -6.471 1058 HH12 ARG 55 HH12 ARG 55 28.073 -6.638 -5.815 1059 HH21 ARG 55 HH21 ARG 55 25.735 -8.827 -4.370 1060 HH22 ARG 55 HH22 ARG 55 27.420 -8.506 -4.637 1061 H ASP 56 HN ASP 56 25.092 -6.670 -2.771 1062 HA ASP 56 HA ASP 56 27.227 -6.452 -2.068 1063 HB2 ASP 56 HB2 ASP 56 27.251 -4.810 -4.123 1064 HB3 ASP 56 HB1 ASP 56 27.394 -3.577 -2.871 1065 H GLY 57 HN GLY 57 25.811 -3.236 -1.539 1066 HA2 GLY 57 HA2 GLY 57 25.775 -3.667 1.330 1067 HA3 GLY 57 HA1 GLY 57 26.905 -2.441 0.773 1068 H ASN 58 HN ASN 58 24.452 -2.377 -1.397 1069 HA ASN 58 HA ASN 58 23.185 -0.133 0.003 1070 HB2 ASN 58 HB2 ASN 58 23.617 -0.782 -2.887 1071 HB3 ASN 58 HB1 ASN 58 22.287 0.275 -2.429 1072 HD21 ASN 58 HD21 ASN 58 24.743 0.804 -3.947 1073 HD22 ASN 58 HD22 ASN 58 25.529 2.106 -3.127 1074 HA PRO 59 HA PRO 59 19.519 -2.650 0.315 1075 HB2 PRO 59 HB2 PRO 59 17.953 -0.802 1.519 1076 HB3 PRO 59 HB1 PRO 59 19.258 -1.638 2.381 1077 HG2 PRO 59 HG2 PRO 59 19.207 1.105 1.256 1078 HG3 PRO 59 HG1 PRO 59 19.936 0.510 2.759 1079 HD2 PRO 59 HD2 PRO 59 21.340 1.004 0.452 1080 HD3 PRO 59 HD1 PRO 59 21.862 -0.112 1.729 1081 H TYR 60 HN TYR 60 18.384 -3.042 -1.493 1082 HA TYR 60 HA TYR 60 17.019 -0.764 -2.758 1083 HB2 TYR 60 HB2 TYR 60 18.313 -3.145 -4.095 1084 HB3 TYR 60 HB1 TYR 60 17.213 -2.047 -4.921 1085 HD1 TYR 60 HD2 TYR 60 18.176 0.528 -3.618 1086 HD2 TYR 60 HD1 TYR 60 20.289 -2.743 -5.333 1087 HE1 TYR 60 HE2 TYR 60 20.062 2.017 -4.109 1088 HE2 TYR 60 HE1 TYR 60 22.185 -1.254 -5.828 1089 HH TYR 60 HH TYR 60 22.257 1.582 -6.188 1090 H ALA 61 HN ALA 61 15.090 -1.468 -4.044 1091 HA ALA 61 HA ALA 61 13.679 -3.511 -2.475 1092 HB1 ALA 61 HB1 ALA 61 12.585 -1.147 -3.992 1093 HB2 ALA 61 HB2 ALA 61 12.679 -1.332 -2.240 1094 HB3 ALA 61 HB3 ALA 61 11.605 -2.368 -3.179 1095 H VAL 62 HN VAL 62 11.858 -4.562 -3.722 1096 HA VAL 62 HA VAL 62 12.900 -5.428 -6.326 1097 HB VAL 62 HB VAL 62 10.770 -6.853 -4.736 1098 HG11 VAL 62 HG11 VAL 62 11.491 -8.790 -6.016 1099 HG12 VAL 62 HG12 VAL 62 12.739 -7.823 -6.800 1100 HG13 VAL 62 HG13 VAL 62 11.036 -7.468 -7.090 1101 HG21 VAL 62 HG21 VAL 62 13.746 -7.314 -4.550 1102 HG22 VAL 62 HG22 VAL 62 12.491 -8.274 -3.768 1103 HG23 VAL 62 HG23 VAL 62 12.739 -6.594 -3.293 1104 H CYS 63 HN CYS 63 11.890 -4.622 -8.051 1105 HA CYS 63 HA CYS 63 9.455 -3.159 -7.817 1106 HB2 CYS 63 HB2 CYS 63 9.664 -2.826 -10.226 1107 HB3 CYS 63 HB1 CYS 63 11.212 -2.554 -9.434 1108 H ASP 64 HN ASP 64 7.691 -3.600 -9.503 1109 HA ASP 64 HA ASP 64 6.430 -6.029 -8.830 1110 HB2 ASP 64 HB2 ASP 64 5.179 -4.003 -9.371 1111 HB3 ASP 64 HB1 ASP 64 5.788 -4.045 -11.020 1112 H LYS 65 HN LYS 65 8.761 -5.315 -11.193 1113 HA LYS 65 HA LYS 65 7.965 -7.360 -13.074 1114 HB2 LYS 65 HB2 LYS 65 10.312 -5.495 -12.861 1115 HB3 LYS 65 HB1 LYS 65 10.353 -6.848 -13.979 1116 HG2 LYS 65 HG2 LYS 65 9.638 -5.081 -15.290 1117 HG3 LYS 65 HG1 LYS 65 8.142 -5.916 -14.883 1118 HD2 LYS 65 HD2 LYS 65 7.923 -3.474 -14.700 1119 HD3 LYS 65 HD1 LYS 65 7.660 -4.283 -13.156 1120 HE2 LYS 65 HE2 LYS 65 9.047 -2.188 -13.051 1121 HE3 LYS 65 HE1 LYS 65 9.791 -3.619 -12.346 1122 HZ1 LYS 65 HZ1 LYS 65 10.378 -3.059 -15.148 1123 HZ2 LYS 65 HZ2 LYS 65 11.384 -3.683 -13.939 1124 HZ3 LYS 65 HZ3 LYS 65 11.063 -2.021 -14.002 1125 H CYS 66 HN CYS 66 10.794 -6.856 -10.970 1126 HA CYS 66 HA CYS 66 11.768 -9.494 -11.279 1127 HB2 CYS 66 HB2 CYS 66 12.407 -7.659 -8.983 1128 HB3 CYS 66 HB1 CYS 66 13.439 -8.882 -9.717 1129 H LEU 67 HN LEU 67 9.445 -8.060 -9.148 1130 HA LEU 67 HA LEU 67 9.496 -9.803 -6.983 1131 HB2 LEU 67 HB2 LEU 67 7.696 -7.839 -8.072 1132 HB3 LEU 67 HB1 LEU 67 6.795 -9.206 -7.447 1133 HG LEU 67 HG LEU 67 8.825 -7.625 -5.868 1134 HD11 LEU 67 HD11 LEU 67 6.943 -6.645 -4.719 1135 HD12 LEU 67 HD12 LEU 67 5.817 -7.574 -5.706 1136 HD13 LEU 67 HD13 LEU 67 6.810 -6.318 -6.447 1137 HD21 LEU 67 HD21 LEU 67 7.388 -10.124 -5.409 1138 HD22 LEU 67 HD22 LEU 67 7.192 -8.947 -4.113 1139 HD23 LEU 67 HD23 LEU 67 8.807 -9.467 -4.596 1140 H LYS 68 HN LYS 68 7.934 -10.185 -10.119 1141 HA LYS 68 HA LYS 68 6.588 -12.608 -9.333 1142 HB2 LYS 68 HB2 LYS 68 6.985 -11.516 -12.120 1143 HB3 LYS 68 HB1 LYS 68 5.794 -12.703 -11.608 1144 HG2 LYS 68 HG2 LYS 68 4.813 -10.929 -10.126 1145 HG3 LYS 68 HG1 LYS 68 5.885 -9.779 -10.929 1146 HD2 LYS 68 HD2 LYS 68 4.901 -10.475 -13.103 1147 HD3 LYS 68 HD1 LYS 68 3.748 -11.466 -12.215 1148 HE2 LYS 68 HE2 LYS 68 2.598 -9.486 -12.657 1149 HE3 LYS 68 HE1 LYS 68 3.125 -9.319 -10.982 1150 HZ1 LYS 68 HZ1 LYS 68 4.318 -8.062 -13.388 1151 HZ2 LYS 68 HZ2 LYS 68 5.071 -8.054 -11.872 1152 HZ3 LYS 68 HZ3 LYS 68 3.577 -7.288 -12.079 1153 H PHE 69 HN PHE 69 9.607 -11.733 -10.781 1154 HA PHE 69 HA PHE 69 10.174 -14.321 -11.882 1155 HB2 PHE 69 HB2 PHE 69 12.024 -11.992 -11.321 1156 HB3 PHE 69 HB1 PHE 69 12.455 -13.430 -12.238 1157 HD1 PHE 69 HD1 PHE 69 9.662 -13.571 -13.649 1158 HD2 PHE 69 HD2 PHE 69 12.550 -10.488 -13.114 1159 HE1 PHE 69 HE1 PHE 69 8.880 -12.479 -15.710 1160 HE2 PHE 69 HE2 PHE 69 11.768 -9.392 -15.173 1161 HZ PHE 69 HZ PHE 69 9.929 -10.387 -16.474 1162 H TYR 70 HN TYR 70 11.260 -12.520 -9.021 1163 HA TYR 70 HA TYR 70 12.366 -15.034 -7.965 1164 HB2 TYR 70 HB2 TYR 70 13.129 -12.160 -7.566 1165 HB3 TYR 70 HB1 TYR 70 13.540 -13.357 -6.344 1166 HD1 TYR 70 HD1 TYR 70 15.039 -15.268 -6.960 1167 HD2 TYR 70 HD2 TYR 70 14.358 -11.991 -9.587 1168 HE1 TYR 70 HE1 TYR 70 17.048 -15.885 -8.240 1169 HE2 TYR 70 HE2 TYR 70 16.361 -12.600 -10.876 1170 HH TYR 70 HH TYR 70 17.777 -15.434 -10.857 Start of MODEL 14 1 H MET 1 HT1 MET 1 -21.085 -10.753 -1.603 2 HA MET 1 HA MET 1 -21.668 -8.491 -1.263 3 HB2 MET 1 HB2 MET 1 -24.110 -7.860 -1.320 4 HB3 MET 1 HB1 MET 1 -23.368 -8.140 -2.886 5 HG2 MET 1 HG2 MET 1 -25.288 -9.281 -3.202 6 HG3 MET 1 HG1 MET 1 -24.331 -10.574 -2.485 7 HE1 MET 1 HE1 MET 1 -27.505 -10.397 -2.744 8 HE2 MET 1 HE2 MET 1 -28.075 -10.958 -1.171 9 HE3 MET 1 HE3 MET 1 -26.768 -11.811 -1.992 10 H PHE 2 HN PHE 2 -23.575 -7.805 0.498 11 HA PHE 2 HA PHE 2 -23.491 -9.944 2.513 12 HB2 PHE 2 HB2 PHE 2 -23.118 -6.977 2.976 13 HB3 PHE 2 HB1 PHE 2 -23.144 -8.214 4.228 14 HD1 PHE 2 HD2 PHE 2 -21.341 -9.957 4.242 15 HD2 PHE 2 HD1 PHE 2 -21.153 -6.478 1.805 16 HE1 PHE 2 HE2 PHE 2 -18.921 -10.283 3.966 17 HE2 PHE 2 HE1 PHE 2 -18.729 -6.798 1.524 18 HZ PHE 2 HZ PHE 2 -17.610 -8.704 2.608 19 H GLN 3 HN GLN 3 -25.281 -10.188 3.807 20 HA GLN 3 HA GLN 3 -27.720 -9.077 2.718 21 HB2 GLN 3 HB2 GLN 3 -27.071 -11.191 4.737 22 HB3 GLN 3 HB1 GLN 3 -28.710 -10.570 4.597 23 HG2 GLN 3 HG2 GLN 3 -27.146 -11.738 2.309 24 HG3 GLN 3 HG1 GLN 3 -28.276 -12.649 3.310 25 HE21 GLN 3 HE21 GLN 3 -27.925 -10.277 0.824 26 HE22 GLN 3 HE22 GLN 3 -29.597 -10.184 0.389 27 H ASP 4 HN ASP 4 -29.448 -8.783 4.618 28 HA ASP 4 HA ASP 4 -28.573 -6.374 6.004 29 HB2 ASP 4 HB2 ASP 4 -30.610 -6.253 4.665 30 HB3 ASP 4 HB1 ASP 4 -31.307 -7.602 5.551 31 HA PRO 5 HA PRO 5 -29.076 -5.170 7.504 32 HB2 PRO 5 HB2 PRO 5 -28.350 -4.400 10.085 33 HB3 PRO 5 HB1 PRO 5 -30.006 -4.469 9.465 34 HG2 PRO 5 HG2 PRO 5 -28.878 -6.073 11.492 35 HG3 PRO 5 HG1 PRO 5 -30.479 -6.229 10.755 36 HD2 PRO 5 HD2 PRO 5 -27.998 -7.747 10.199 37 HD3 PRO 5 HD1 PRO 5 -29.694 -8.244 10.025 38 H GLN 6 HN GLN 6 -26.821 -5.887 10.162 39 HA GLN 6 HA GLN 6 -24.661 -4.909 8.451 40 HB2 GLN 6 HB2 GLN 6 -24.976 -5.047 11.438 41 HB3 GLN 6 HB1 GLN 6 -23.410 -4.773 10.686 42 HG2 GLN 6 HG2 GLN 6 -25.836 -3.047 10.251 43 HG3 GLN 6 HG1 GLN 6 -24.564 -2.710 11.421 44 HE21 GLN 6 HE21 GLN 6 -23.972 -0.794 10.476 45 HE22 GLN 6 HE22 GLN 6 -23.154 -0.708 8.959 46 H GLU 7 HN GLU 7 -24.834 -7.085 7.431 47 HA GLU 7 HA GLU 7 -23.641 -9.276 8.911 48 HB2 GLU 7 HB2 GLU 7 -25.473 -9.487 7.120 49 HB3 GLU 7 HB1 GLU 7 -24.201 -9.191 5.944 50 HG2 GLU 7 HG2 GLU 7 -23.001 -11.170 6.784 51 HG3 GLU 7 HG1 GLU 7 -24.337 -11.482 7.891 52 H ARG 8 HN ARG 8 -22.397 -6.599 8.010 53 HA ARG 8 HA ARG 8 -19.834 -7.719 7.169 54 HB2 ARG 8 HB2 ARG 8 -19.488 -5.880 5.586 55 HB3 ARG 8 HB1 ARG 8 -20.886 -6.845 5.137 56 HG2 ARG 8 HG2 ARG 8 -21.224 -4.344 6.744 57 HG3 ARG 8 HG1 ARG 8 -21.015 -4.270 4.993 58 HD2 ARG 8 HD2 ARG 8 -22.921 -5.994 4.903 59 HD3 ARG 8 HD1 ARG 8 -23.235 -5.530 6.575 60 HE ARG 8 HE ARG 8 -23.255 -3.156 5.445 61 HH11 ARG 8 HH11 ARG 8 -24.763 -6.140 4.395 62 HH12 ARG 8 HH12 ARG 8 -25.964 -5.345 3.432 63 HH21 ARG 8 HH21 ARG 8 -24.864 -2.107 4.187 64 HH22 ARG 8 HH22 ARG 8 -26.022 -3.059 3.318 65 HA PRO 9 HA PRO 9 -18.401 -5.047 10.395 66 HB2 PRO 9 HB2 PRO 9 -15.760 -5.096 9.891 67 HB3 PRO 9 HB1 PRO 9 -16.625 -6.543 10.445 68 HG2 PRO 9 HG2 PRO 9 -15.738 -5.817 7.703 69 HG3 PRO 9 HG1 PRO 9 -15.701 -7.388 8.528 70 HD2 PRO 9 HD2 PRO 9 -17.625 -6.648 6.717 71 HD3 PRO 9 HD1 PRO 9 -17.851 -7.872 7.981 72 H ARG 10 HN ARG 10 -17.077 -3.074 10.771 73 HA ARG 10 HA ARG 10 -17.425 -1.189 8.555 74 HB2 ARG 10 HB2 ARG 10 -17.601 -1.004 11.478 75 HB3 ARG 10 HB1 ARG 10 -16.734 0.331 10.735 76 HG2 ARG 10 HG2 ARG 10 -19.030 -0.025 9.179 77 HG3 ARG 10 HG1 ARG 10 -19.558 -0.171 10.854 78 HD2 ARG 10 HD2 ARG 10 -18.466 1.959 11.379 79 HD3 ARG 10 HD1 ARG 10 -17.949 2.105 9.700 80 HE ARG 10 HE ARG 10 -20.805 1.818 10.098 81 HH11 ARG 10 HH11 ARG 10 -18.139 4.067 9.843 82 HH12 ARG 10 HH12 ARG 10 -19.122 5.372 9.259 83 HH21 ARG 10 HH21 ARG 10 -22.110 3.547 9.357 84 HH22 ARG 10 HH22 ARG 10 -21.378 5.073 8.972 85 H LYS 11 HN LYS 11 -15.076 -3.122 9.390 86 HA LYS 11 HA LYS 11 -12.943 -1.113 9.121 87 HB2 LYS 11 HB2 LYS 11 -12.937 -3.839 10.411 88 HB3 LYS 11 HB1 LYS 11 -11.451 -3.008 9.975 89 HG2 LYS 11 HG2 LYS 11 -12.142 -1.115 11.424 90 HG3 LYS 11 HG1 LYS 11 -13.537 -2.070 11.930 91 HD2 LYS 11 HD2 LYS 11 -12.015 -3.821 12.759 92 HD3 LYS 11 HD1 LYS 11 -10.637 -2.822 12.295 93 HE2 LYS 11 HE2 LYS 11 -11.345 -1.090 13.846 94 HE3 LYS 11 HE1 LYS 11 -12.768 -2.036 14.280 95 HZ1 LYS 11 HZ1 LYS 11 -9.933 -2.597 14.896 96 HZ2 LYS 11 HZ2 LYS 11 -11.107 -3.809 14.976 97 HZ3 LYS 11 HZ3 LYS 11 -11.235 -2.444 15.963 98 H LEU 12 HN LEU 12 -11.700 -1.167 7.364 99 HA LEU 12 HA LEU 12 -12.417 -2.526 5.075 100 HB2 LEU 12 HB2 LEU 12 -11.063 -0.497 5.075 101 HB3 LEU 12 HB1 LEU 12 -9.713 -1.385 5.753 102 HG LEU 12 HG LEU 12 -9.611 -2.759 3.695 103 HD11 LEU 12 HD11 LEU 12 -11.924 -2.602 2.988 104 HD12 LEU 12 HD12 LEU 12 -10.859 -2.004 1.713 105 HD13 LEU 12 HD13 LEU 12 -11.751 -0.866 2.727 106 HD21 LEU 12 HD21 LEU 12 -8.600 -1.081 2.314 107 HD22 LEU 12 HD22 LEU 12 -8.265 -0.686 4.001 108 HD23 LEU 12 HD23 LEU 12 -9.513 0.195 3.117 109 HA PRO 13 HA PRO 13 -8.680 -5.658 5.812 110 HB2 PRO 13 HB2 PRO 13 -8.411 -6.202 8.541 111 HB3 PRO 13 HB1 PRO 13 -7.296 -5.221 7.573 112 HG2 PRO 13 HG2 PRO 13 -9.499 -4.356 9.371 113 HG3 PRO 13 HG1 PRO 13 -7.899 -3.630 9.106 114 HD2 PRO 13 HD2 PRO 13 -10.085 -2.556 8.023 115 HD3 PRO 13 HD1 PRO 13 -8.547 -2.599 7.134 116 H GLN 14 HN GLN 14 -11.181 -5.533 8.349 117 HA GLN 14 HA GLN 14 -11.692 -8.312 8.360 118 HB2 GLN 14 HB2 GLN 14 -13.520 -6.047 9.188 119 HB3 GLN 14 HB1 GLN 14 -13.749 -7.742 9.587 120 HG2 GLN 14 HG2 GLN 14 -11.502 -7.625 10.747 121 HG3 GLN 14 HG1 GLN 14 -11.613 -5.875 10.562 122 HE21 GLN 14 HE21 GLN 14 -14.264 -8.107 11.208 123 HE22 GLN 14 HE22 GLN 14 -14.641 -7.481 12.775 124 H LEU 15 HN LEU 15 -13.091 -5.599 6.596 125 HA LEU 15 HA LEU 15 -15.267 -6.932 5.441 126 HB2 LEU 15 HB2 LEU 15 -14.864 -4.461 5.453 127 HB3 LEU 15 HB1 LEU 15 -13.653 -4.700 4.209 128 HG LEU 15 HG LEU 15 -15.416 -5.610 2.713 129 HD11 LEU 15 HD11 LEU 15 -17.001 -6.421 4.315 130 HD12 LEU 15 HD12 LEU 15 -17.777 -5.170 3.347 131 HD13 LEU 15 HD13 LEU 15 -17.225 -4.806 4.983 132 HD21 LEU 15 HD21 LEU 15 -16.061 -2.867 3.784 133 HD22 LEU 15 HD22 LEU 15 -16.395 -3.485 2.167 134 HD23 LEU 15 HD23 LEU 15 -14.730 -3.228 2.685 135 H CYS 16 HN CYS 16 -11.920 -6.554 4.366 136 HA CYS 16 HA CYS 16 -12.194 -7.864 1.883 137 HB2 CYS 16 HB2 CYS 16 -9.725 -7.751 3.629 138 HB3 CYS 16 HB1 CYS 16 -9.771 -8.035 1.891 139 HG CYS 16 HG CYS 16 -10.705 -5.112 3.415 140 H THR 17 HN THR 17 -11.605 -9.004 5.142 141 HA THR 17 HA THR 17 -10.938 -11.675 4.503 142 HB THR 17 HB THR 17 -12.281 -10.743 7.044 143 HG1 THR 17 HG1 THR 17 -10.395 -9.455 6.470 144 HG21 THR 17 HG21 THR 17 -11.016 -12.567 8.071 145 HG22 THR 17 HG22 THR 17 -10.333 -12.989 6.501 146 HG23 THR 17 HG23 THR 17 -12.064 -13.172 6.788 147 H GLU 18 HN GLU 18 -13.992 -10.028 5.157 148 HA GLU 18 HA GLU 18 -15.557 -12.424 5.068 149 HB2 GLU 18 HB2 GLU 18 -16.400 -9.529 4.856 150 HB3 GLU 18 HB1 GLU 18 -17.494 -10.892 5.047 151 HG2 GLU 18 HG2 GLU 18 -15.652 -9.648 7.018 152 HG3 GLU 18 HG1 GLU 18 -17.330 -10.157 7.203 153 H LEU 19 HN LEU 19 -14.459 -10.072 2.763 154 HA LEU 19 HA LEU 19 -16.214 -10.977 0.661 155 HB2 LEU 19 HB2 LEU 19 -15.231 -8.638 0.899 156 HB3 LEU 19 HB1 LEU 19 -13.711 -9.319 0.361 157 HG LEU 19 HG LEU 19 -14.855 -10.030 -1.754 158 HD11 LEU 19 HD11 LEU 19 -17.082 -8.328 -0.648 159 HD12 LEU 19 HD12 LEU 19 -17.141 -10.059 -0.973 160 HD13 LEU 19 HD13 LEU 19 -16.981 -8.919 -2.307 161 HD21 LEU 19 HD21 LEU 19 -13.482 -8.007 -1.619 162 HD22 LEU 19 HD22 LEU 19 -14.905 -7.076 -1.150 163 HD23 LEU 19 HD23 LEU 19 -14.823 -7.815 -2.750 164 H GLN 20 HN GLN 20 -13.534 -12.189 2.149 165 HA GLN 20 HA GLN 20 -12.118 -13.901 1.775 166 HB2 GLN 20 HB2 GLN 20 -14.253 -14.424 -0.228 167 HB3 GLN 20 HB1 GLN 20 -12.755 -15.334 -0.367 168 HG2 GLN 20 HG2 GLN 20 -13.057 -15.916 2.079 169 HG3 GLN 20 HG1 GLN 20 -14.696 -15.288 1.912 170 HE21 GLN 20 HE21 GLN 20 -12.456 -17.750 0.881 171 HE22 GLN 20 HE22 GLN 20 -13.642 -18.848 0.264 172 H THR 21 HN THR 21 -11.210 -11.482 0.931 173 HA THR 21 HA THR 21 -9.378 -12.309 -1.147 174 HB THR 21 HB THR 21 -11.388 -11.259 -2.310 175 HG1 THR 21 HG1 THR 21 -9.988 -10.057 -3.725 176 HG21 THR 21 HG21 THR 21 -11.788 -9.441 -0.714 177 HG22 THR 21 HG22 THR 21 -11.500 -8.816 -2.339 178 HG23 THR 21 HG23 THR 21 -10.224 -8.737 -1.123 179 H THR 22 HN THR 22 -7.890 -10.249 -1.611 180 HA THR 22 HA THR 22 -7.000 -9.375 1.030 181 HB THR 22 HB THR 22 -5.232 -8.589 -1.095 182 HG1 THR 22 HG1 THR 22 -4.760 -10.758 -1.829 183 HG21 THR 22 HG21 THR 22 -3.649 -10.009 0.148 184 HG22 THR 22 HG22 THR 22 -4.989 -10.667 1.087 185 HG23 THR 22 HG23 THR 22 -4.568 -8.961 1.230 186 H ILE 23 HN ILE 23 -6.063 -7.144 1.138 187 HA ILE 23 HA ILE 23 -8.017 -5.229 0.407 188 HB ILE 23 HB ILE 23 -5.209 -4.582 1.307 189 HG12 ILE 23 HG12 ILE 23 -7.582 -5.356 3.026 190 HG13 ILE 23 HG11 ILE 23 -6.138 -6.330 2.777 191 HG21 ILE 23 HG21 ILE 23 -6.324 -2.667 2.393 192 HG22 ILE 23 HG22 ILE 23 -7.855 -3.185 1.689 193 HG23 ILE 23 HG23 ILE 23 -6.534 -2.667 0.643 194 HD11 ILE 23 HD11 ILE 23 -4.790 -4.665 3.897 195 HD12 ILE 23 HD12 ILE 23 -6.129 -5.173 4.928 196 HD13 ILE 23 HD13 ILE 23 -6.201 -3.622 4.086 197 H HIS 24 HN HIS 24 -5.537 -6.609 -1.361 198 HA HIS 24 HA HIS 24 -5.013 -4.302 -3.054 199 HB2 HIS 24 HB2 HIS 24 -4.053 -7.134 -3.485 200 HB3 HIS 24 HB1 HIS 24 -3.372 -5.656 -4.150 201 HD1 HIS 24 HD1 HIS 24 -1.528 -4.551 -2.806 202 HD2 HIS 24 HD2 HIS 24 -3.544 -7.504 -0.684 203 HE1 HIS 24 HE1 HIS 24 -0.208 -4.937 -0.687 204 H ASP 25 HN ASP 25 -7.431 -6.533 -2.817 205 HA ASP 25 HA ASP 25 -7.927 -6.477 -5.723 206 HB2 ASP 25 HB2 ASP 25 -7.339 -8.735 -5.099 207 HB3 ASP 25 HB1 ASP 25 -8.491 -8.710 -3.770 208 H ILE 26 HN ILE 26 -9.239 -6.031 -2.534 209 HA ILE 26 HA ILE 26 -11.951 -6.237 -2.988 210 HB ILE 26 HB ILE 26 -11.124 -5.901 -0.756 211 HG12 ILE 26 HG12 ILE 26 -12.779 -3.460 -1.370 212 HG13 ILE 26 HG11 ILE 26 -13.442 -5.086 -1.491 213 HG21 ILE 26 HG21 ILE 26 -9.258 -4.401 -1.256 214 HG22 ILE 26 HG22 ILE 26 -10.266 -3.770 0.046 215 HG23 ILE 26 HG23 ILE 26 -10.396 -3.093 -1.578 216 HD11 ILE 26 HD11 ILE 26 -13.981 -4.055 0.639 217 HD12 ILE 26 HD12 ILE 26 -12.264 -3.852 0.984 218 HD13 ILE 26 HD13 ILE 26 -12.955 -5.470 0.857 219 H ILE 27 HN ILE 27 -13.260 -5.314 -4.352 220 HA ILE 27 HA ILE 27 -12.471 -2.953 -5.805 221 HB ILE 27 HB ILE 27 -14.982 -4.622 -6.033 222 HG12 ILE 27 HG12 ILE 27 -12.958 -5.872 -6.629 223 HG13 ILE 27 HG11 ILE 27 -13.932 -5.543 -8.056 224 HG21 ILE 27 HG21 ILE 27 -15.329 -3.493 -8.176 225 HG22 ILE 27 HG22 ILE 27 -13.922 -2.475 -7.868 226 HG23 ILE 27 HG23 ILE 27 -15.345 -2.350 -6.835 227 HD11 ILE 27 HD11 ILE 27 -11.622 -5.219 -8.595 228 HD12 ILE 27 HD12 ILE 27 -11.407 -4.137 -7.220 229 HD13 ILE 27 HD13 ILE 27 -12.418 -3.646 -8.581 230 H LEU 28 HN LEU 28 -12.600 -1.180 -4.551 231 HA LEU 28 HA LEU 28 -15.269 -0.480 -3.532 232 HB2 LEU 28 HB2 LEU 28 -12.863 -0.754 -2.068 233 HB3 LEU 28 HB1 LEU 28 -13.176 0.967 -2.188 234 HG LEU 28 HG LEU 28 -15.355 0.685 -1.149 235 HD11 LEU 28 HD11 LEU 28 -15.878 -1.609 -0.177 236 HD12 LEU 28 HD12 LEU 28 -14.689 -2.238 -1.319 237 HD13 LEU 28 HD13 LEU 28 -16.122 -1.394 -1.909 238 HD21 LEU 28 HD21 LEU 28 -14.655 0.131 1.062 239 HD22 LEU 28 HD22 LEU 28 -13.294 0.910 0.254 240 HD23 LEU 28 HD23 LEU 28 -13.314 -0.841 0.457 241 H GLU 29 HN GLU 29 -16.087 1.198 -4.568 242 HA GLU 29 HA GLU 29 -14.281 2.948 -6.067 243 HB2 GLU 29 HB2 GLU 29 -16.532 3.681 -7.124 244 HB3 GLU 29 HB1 GLU 29 -15.843 2.128 -7.573 245 HG2 GLU 29 HG2 GLU 29 -17.357 0.973 -6.108 246 HG3 GLU 29 HG1 GLU 29 -17.986 2.504 -5.495 247 H CYS 30 HN CYS 30 -15.240 5.267 -6.303 248 HA CYS 30 HA CYS 30 -15.192 6.387 -3.693 249 HB2 CYS 30 HB2 CYS 30 -14.210 7.558 -5.617 250 HB3 CYS 30 HB1 CYS 30 -15.815 7.733 -6.325 251 H VAL 31 HN VAL 31 -16.706 7.354 -2.522 252 HA VAL 31 HA VAL 31 -19.388 6.451 -2.787 253 HB VAL 31 HB VAL 31 -18.516 6.713 -0.585 254 HG11 VAL 31 HG11 VAL 31 -16.763 8.293 -0.958 255 HG12 VAL 31 HG12 VAL 31 -17.817 8.926 0.305 256 HG13 VAL 31 HG13 VAL 31 -17.921 9.568 -1.334 257 HG21 VAL 31 HG21 VAL 31 -20.900 7.334 -0.886 258 HG22 VAL 31 HG22 VAL 31 -20.408 9.027 -0.977 259 HG23 VAL 31 HG23 VAL 31 -20.135 8.106 0.505 260 H TYR 32 HN TYR 32 -17.676 9.303 -3.795 261 HA TYR 32 HA TYR 32 -20.228 10.631 -4.418 262 HB2 TYR 32 HB2 TYR 32 -17.444 11.778 -4.159 263 HB3 TYR 32 HB1 TYR 32 -18.857 12.703 -4.657 264 HD1 TYR 32 HD2 TYR 32 -20.914 12.483 -2.971 265 HD2 TYR 32 HD1 TYR 32 -16.838 11.870 -1.944 266 HE1 TYR 32 HE2 TYR 32 -21.449 12.939 -0.616 267 HE2 TYR 32 HE1 TYR 32 -17.355 12.325 0.416 268 HH TYR 32 HH TYR 32 -19.221 13.699 1.650 269 H CYS 33 HN CYS 33 -16.977 10.212 -5.832 270 HA CYS 33 HA CYS 33 -17.776 11.055 -8.419 271 HB2 CYS 33 HB2 CYS 33 -15.397 9.301 -7.899 272 HB3 CYS 33 HB1 CYS 33 -15.576 10.604 -9.069 273 H LYS 34 HN LYS 34 -17.933 8.023 -6.780 274 HA LYS 34 HA LYS 34 -18.755 5.985 -7.341 275 HB2 LYS 34 HB2 LYS 34 -20.493 7.657 -8.441 276 HB3 LYS 34 HB1 LYS 34 -19.839 7.001 -9.934 277 HG2 LYS 34 HG2 LYS 34 -21.722 5.701 -9.477 278 HG3 LYS 34 HG1 LYS 34 -20.358 4.706 -8.968 279 HD2 LYS 34 HD2 LYS 34 -20.742 5.218 -6.670 280 HD3 LYS 34 HD1 LYS 34 -21.920 6.464 -7.086 281 HE2 LYS 34 HE2 LYS 34 -23.116 4.537 -6.340 282 HE3 LYS 34 HE1 LYS 34 -23.352 4.681 -8.078 283 HZ1 LYS 34 HZ1 LYS 34 -22.493 2.462 -6.730 284 HZ2 LYS 34 HZ2 LYS 34 -21.079 3.072 -7.439 285 HZ3 LYS 34 HZ3 LYS 34 -22.423 2.700 -8.404 286 H GLN 35 HN GLN 35 -16.125 6.952 -8.356 287 HA GLN 35 HA GLN 35 -15.837 5.177 -10.678 288 HB2 GLN 35 HB2 GLN 35 -14.427 6.667 -11.579 289 HB3 GLN 35 HB1 GLN 35 -14.939 7.781 -10.324 290 HG2 GLN 35 HG2 GLN 35 -12.796 5.958 -9.510 291 HG3 GLN 35 HG1 GLN 35 -12.369 7.048 -10.824 292 HE21 GLN 35 HE21 GLN 35 -13.190 6.780 -7.478 293 HE22 GLN 35 HE22 GLN 35 -12.826 8.418 -7.040 294 H GLN 36 HN GLN 36 -14.348 3.515 -10.651 295 HA GLN 36 HA GLN 36 -13.836 2.342 -8.133 296 HB2 GLN 36 HB2 GLN 36 -14.131 1.132 -10.327 297 HB3 GLN 36 HB1 GLN 36 -12.493 1.628 -10.739 298 HG2 GLN 36 HG2 GLN 36 -11.686 0.453 -8.709 299 HG3 GLN 36 HG1 GLN 36 -13.328 -0.138 -8.448 300 HE21 GLN 36 HE21 GLN 36 -14.180 -1.667 -9.866 301 HE22 GLN 36 HE22 GLN 36 -13.178 -2.591 -10.928 302 H LEU 37 HN LEU 37 -12.149 2.403 -6.817 303 HA LEU 37 HA LEU 37 -9.987 4.253 -7.397 304 HB2 LEU 37 HB2 LEU 37 -11.043 2.874 -4.981 305 HB3 LEU 37 HB1 LEU 37 -9.345 3.301 -4.983 306 HG LEU 37 HG LEU 37 -10.083 5.681 -5.497 307 HD11 LEU 37 HD11 LEU 37 -12.343 5.202 -6.236 308 HD12 LEU 37 HD12 LEU 37 -12.366 6.259 -4.826 309 HD13 LEU 37 HD13 LEU 37 -12.744 4.546 -4.649 310 HD21 LEU 37 HD21 LEU 37 -10.735 4.312 -2.901 311 HD22 LEU 37 HD22 LEU 37 -10.749 6.061 -3.097 312 HD23 LEU 37 HD23 LEU 37 -9.255 5.161 -3.339 313 H LEU 38 HN LEU 38 -7.827 3.668 -7.546 314 HA LEU 38 HA LEU 38 -7.343 0.950 -8.357 315 HB2 LEU 38 HB2 LEU 38 -5.472 3.304 -8.057 316 HB3 LEU 38 HB1 LEU 38 -4.989 1.734 -8.667 317 HG LEU 38 HG LEU 38 -6.920 3.657 -9.960 318 HD11 LEU 38 HD11 LEU 38 -4.562 4.223 -10.232 319 HD12 LEU 38 HD12 LEU 38 -5.270 3.690 -11.756 320 HD13 LEU 38 HD13 LEU 38 -4.237 2.599 -10.835 321 HD21 LEU 38 HD21 LEU 38 -7.804 1.489 -10.362 322 HD22 LEU 38 HD22 LEU 38 -6.203 0.823 -10.681 323 HD23 LEU 38 HD23 LEU 38 -6.927 1.962 -11.817 324 H ARG 39 HN ARG 39 -5.840 -0.473 -7.346 325 HA ARG 39 HA ARG 39 -6.181 -0.799 -4.635 326 HB2 ARG 39 HB2 ARG 39 -4.266 -2.395 -4.729 327 HB3 ARG 39 HB1 ARG 39 -5.501 -2.663 -5.950 328 HG2 ARG 39 HG2 ARG 39 -4.138 -1.865 -7.672 329 HG3 ARG 39 HG1 ARG 39 -3.030 -1.077 -6.547 330 HD2 ARG 39 HD2 ARG 39 -2.072 -3.123 -7.505 331 HD3 ARG 39 HD1 ARG 39 -2.250 -3.230 -5.755 332 HE ARG 39 HE ARG 39 -4.467 -4.442 -6.467 333 HH11 ARG 39 HH11 ARG 39 -1.297 -4.720 -7.928 334 HH12 ARG 39 HH12 ARG 39 -1.557 -6.345 -8.478 335 HH21 ARG 39 HH21 ARG 39 -4.792 -6.612 -7.170 336 HH22 ARG 39 HH22 ARG 39 -3.522 -7.417 -8.037 337 H ARG 40 HN ARG 40 -3.799 1.197 -6.226 338 HA ARG 40 HA ARG 40 -1.919 1.343 -4.126 339 HB2 ARG 40 HB2 ARG 40 -2.403 3.752 -5.812 340 HB3 ARG 40 HB1 ARG 40 -0.889 3.041 -5.288 341 HG2 ARG 40 HG2 ARG 40 -0.931 1.425 -6.984 342 HG3 ARG 40 HG1 ARG 40 -2.640 1.709 -7.323 343 HD2 ARG 40 HD2 ARG 40 -0.296 3.477 -7.945 344 HD3 ARG 40 HD1 ARG 40 -1.480 2.794 -9.061 345 HE ARG 40 HE ARG 40 -3.076 4.303 -7.582 346 HH11 ARG 40 HH11 ARG 40 0.100 5.086 -8.858 347 HH12 ARG 40 HH12 ARG 40 -0.224 6.787 -8.957 348 HH21 ARG 40 HH21 ARG 40 -3.494 6.540 -7.679 349 HH22 ARG 40 HH22 ARG 40 -2.266 7.616 -8.290 350 H GLU 41 HN GLU 41 -4.598 3.548 -4.976 351 HA GLU 41 HA GLU 41 -4.239 5.146 -2.650 352 HB2 GLU 41 HB2 GLU 41 -6.805 5.702 -3.387 353 HB3 GLU 41 HB1 GLU 41 -5.380 6.485 -4.043 354 HG2 GLU 41 HG2 GLU 41 -6.511 4.018 -5.310 355 HG3 GLU 41 HG1 GLU 41 -7.174 5.614 -5.657 356 H VAL 42 HN VAL 42 -5.907 2.197 -3.263 357 HA VAL 42 HA VAL 42 -7.785 2.304 -1.159 358 HB VAL 42 HB VAL 42 -6.463 -0.097 -2.445 359 HG11 VAL 42 HG11 VAL 42 -7.279 -0.733 -0.261 360 HG12 VAL 42 HG12 VAL 42 -8.346 -1.389 -1.504 361 HG13 VAL 42 HG13 VAL 42 -8.834 0.036 -0.586 362 HG21 VAL 42 HG21 VAL 42 -8.616 -0.295 -3.635 363 HG22 VAL 42 HG22 VAL 42 -7.780 1.213 -4.004 364 HG23 VAL 42 HG23 VAL 42 -9.147 1.211 -2.889 365 H TYR 43 HN TYR 43 -4.391 1.447 -1.305 366 HA TYR 43 HA TYR 43 -4.100 0.255 1.225 367 HB2 TYR 43 HB2 TYR 43 -2.057 1.956 -0.215 368 HB3 TYR 43 HB1 TYR 43 -1.732 0.781 1.050 369 HD1 TYR 43 HD2 TYR 43 -3.526 -1.448 0.024 370 HD2 TYR 43 HD1 TYR 43 -0.756 1.112 -1.939 371 HE1 TYR 43 HE2 TYR 43 -3.163 -3.166 -1.699 372 HE2 TYR 43 HE1 TYR 43 -0.385 -0.594 -3.661 373 HH TYR 43 HH TYR 43 -0.590 -2.927 -4.006 374 H ASP 44 HN ASP 44 -4.404 3.576 0.247 375 HA ASP 44 HA ASP 44 -3.309 4.804 2.542 376 HB2 ASP 44 HB2 ASP 44 -5.142 5.693 0.353 377 HB3 ASP 44 HB1 ASP 44 -4.973 6.708 1.784 378 H PHE 45 HN PHE 45 -6.447 3.473 1.819 379 HA PHE 45 HA PHE 45 -7.842 4.593 4.014 380 HB2 PHE 45 HB2 PHE 45 -8.442 2.890 1.829 381 HB3 PHE 45 HB1 PHE 45 -8.935 2.044 3.292 382 HD1 PHE 45 HD2 PHE 45 -9.279 5.255 1.478 383 HD2 PHE 45 HD1 PHE 45 -10.929 2.603 4.369 384 HE1 PHE 45 HE2 PHE 45 -11.325 6.619 1.559 385 HE2 PHE 45 HE1 PHE 45 -12.977 3.963 4.455 386 HZ PHE 45 HZ PHE 45 -13.179 5.976 3.051 387 H ALA 46 HN ALA 46 -5.879 1.731 3.601 388 HA ALA 46 HA ALA 46 -6.546 0.700 6.230 389 HB1 ALA 46 HB1 ALA 46 -4.606 -0.271 4.136 390 HB2 ALA 46 HB2 ALA 46 -6.217 -0.906 4.474 391 HB3 ALA 46 HB3 ALA 46 -4.931 -1.091 5.665 392 H PHE 47 HN PHE 47 -3.840 2.308 4.621 393 HA PHE 47 HA PHE 47 -1.960 2.092 6.705 394 HB2 PHE 47 HB2 PHE 47 -1.713 2.876 4.214 395 HB3 PHE 47 HB1 PHE 47 -2.027 4.473 4.884 396 HD1 PHE 47 HD1 PHE 47 0.249 1.576 5.037 397 HD2 PHE 47 HD2 PHE 47 -0.353 5.671 6.019 398 HE1 PHE 47 HE1 PHE 47 2.619 1.769 5.668 399 HE2 PHE 47 HE2 PHE 47 2.014 5.869 6.654 400 HZ PHE 47 HZ PHE 47 3.505 3.920 6.481 401 H ARG 48 HN ARG 48 -4.235 4.703 5.889 402 HA ARG 48 HA ARG 48 -3.641 6.020 8.438 403 HB2 ARG 48 HB2 ARG 48 -5.385 6.897 6.120 404 HB3 ARG 48 HB1 ARG 48 -5.054 7.850 7.560 405 HG2 ARG 48 HG2 ARG 48 -2.735 8.017 6.988 406 HG3 ARG 48 HG1 ARG 48 -2.945 6.909 5.631 407 HD2 ARG 48 HD2 ARG 48 -4.665 8.641 4.787 408 HD3 ARG 48 HD1 ARG 48 -3.899 9.741 5.931 409 HE ARG 48 HE ARG 48 -1.787 9.292 4.722 410 HH11 ARG 48 HH11 ARG 48 -4.857 8.813 3.105 411 HH12 ARG 48 HH12 ARG 48 -4.168 8.876 1.513 412 HH21 ARG 48 HH21 ARG 48 -0.897 9.400 2.616 413 HH22 ARG 48 HH22 ARG 48 -1.931 9.219 1.236 414 H ASP 49 HN ASP 49 -5.557 6.776 9.738 415 HA ASP 49 HA ASP 49 -7.411 4.544 9.987 416 HB2 ASP 49 HB2 ASP 49 -6.340 5.412 12.023 417 HB3 ASP 49 HB1 ASP 49 -7.068 6.988 11.736 418 H LEU 50 HN LEU 50 -9.054 4.615 8.621 419 HA LEU 50 HA LEU 50 -10.667 7.059 8.553 420 HB2 LEU 50 HB2 LEU 50 -9.708 5.427 6.215 421 HB3 LEU 50 HB1 LEU 50 -11.125 6.454 6.103 422 HG LEU 50 HG LEU 50 -8.450 7.538 6.960 423 HD11 LEU 50 HD11 LEU 50 -8.075 6.535 4.809 424 HD12 LEU 50 HD12 LEU 50 -8.173 8.284 4.617 425 HD13 LEU 50 HD13 LEU 50 -9.543 7.272 4.169 426 HD21 LEU 50 HD21 LEU 50 -9.405 9.655 6.204 427 HD22 LEU 50 HD22 LEU 50 -10.421 8.911 7.438 428 HD23 LEU 50 HD23 LEU 50 -10.892 8.828 5.740 429 H CYS 51 HN CYS 51 -12.836 6.496 7.399 430 HA CYS 51 HA CYS 51 -13.747 3.896 8.427 431 HB2 CYS 51 HB2 CYS 51 -15.452 6.382 8.288 432 HB3 CYS 51 HB1 CYS 51 -15.791 4.881 9.144 433 HG CYS 51 HG CYS 51 -13.646 5.303 10.986 434 H ILE 52 HN ILE 52 -15.333 2.837 7.222 435 HA ILE 52 HA ILE 52 -15.240 3.391 4.398 436 HB ILE 52 HB ILE 52 -16.920 1.304 5.798 437 HG12 ILE 52 HG12 ILE 52 -14.102 1.005 4.728 438 HG13 ILE 52 HG11 ILE 52 -14.503 1.163 6.434 439 HG21 ILE 52 HG21 ILE 52 -15.819 1.441 2.989 440 HG22 ILE 52 HG22 ILE 52 -17.490 1.760 3.458 441 HG23 ILE 52 HG23 ILE 52 -16.813 0.143 3.656 442 HD11 ILE 52 HD11 ILE 52 -15.792 -0.914 6.311 443 HD12 ILE 52 HD12 ILE 52 -14.105 -1.146 5.855 444 HD13 ILE 52 HD13 ILE 52 -15.350 -1.073 4.611 445 H VAL 53 HN VAL 53 -16.690 4.530 3.279 446 HA VAL 53 HA VAL 53 -19.037 5.545 4.676 447 HB VAL 53 HB VAL 53 -18.942 6.532 2.007 448 HG11 VAL 53 HG11 VAL 53 -18.274 7.825 4.654 449 HG12 VAL 53 HG12 VAL 53 -19.867 7.729 3.900 450 HG13 VAL 53 HG13 VAL 53 -18.590 8.686 3.147 451 HG21 VAL 53 HG21 VAL 53 -16.276 6.654 3.416 452 HG22 VAL 53 HG22 VAL 53 -16.729 7.627 2.015 453 HG23 VAL 53 HG23 VAL 53 -16.624 5.871 1.875 454 H TYR 54 HN TYR 54 -20.843 4.429 4.548 455 HA TYR 54 HA TYR 54 -21.346 2.739 2.217 456 HB2 TYR 54 HB2 TYR 54 -22.981 2.952 4.748 457 HB3 TYR 54 HB1 TYR 54 -23.070 1.690 3.528 458 HD1 TYR 54 HD2 TYR 54 -21.184 3.006 6.374 459 HD2 TYR 54 HD1 TYR 54 -21.411 -0.089 3.459 460 HE1 TYR 54 HE2 TYR 54 -19.565 1.679 7.661 461 HE2 TYR 54 HE1 TYR 54 -19.794 -1.422 4.742 462 HH TYR 54 HH TYR 54 -18.383 -1.448 6.481 463 H ARG 55 HN ARG 55 -22.287 3.798 0.590 464 HA ARG 55 HA ARG 55 -24.246 5.906 1.184 465 HB2 ARG 55 HB2 ARG 55 -22.187 5.768 -0.674 466 HB3 ARG 55 HB1 ARG 55 -23.623 5.453 -1.638 467 HG2 ARG 55 HG2 ARG 55 -23.285 7.831 0.178 468 HG3 ARG 55 HG1 ARG 55 -22.942 7.839 -1.552 469 HD2 ARG 55 HD2 ARG 55 -25.608 7.235 -0.285 470 HD3 ARG 55 HD1 ARG 55 -25.150 8.759 -1.042 471 HE ARG 55 HE ARG 55 -24.747 6.829 -2.967 472 HH11 ARG 55 HH11 ARG 55 -27.420 8.059 -1.081 473 HH12 ARG 55 HH12 ARG 55 -28.621 7.640 -2.260 474 HH21 ARG 55 HH21 ARG 55 -26.341 6.264 -4.539 475 HH22 ARG 55 HH22 ARG 55 -28.007 6.622 -4.221 476 H ASP 56 HN ASP 56 -26.308 5.363 1.182 477 HA ASP 56 HA ASP 56 -28.317 4.483 0.562 478 HB2 ASP 56 HB2 ASP 56 -27.780 4.720 -1.768 479 HB3 ASP 56 HB1 ASP 56 -26.720 3.315 -1.726 480 H GLY 57 HN GLY 57 -25.628 2.198 0.330 481 HA2 GLY 57 HA2 GLY 57 -26.333 0.631 2.502 482 HA3 GLY 57 HA1 GLY 57 -27.129 -0.090 1.108 483 H ASN 58 HN ASN 58 -24.925 0.872 -0.650 484 HA ASN 58 HA ASN 58 -23.243 -1.446 -0.344 485 HB2 ASN 58 HB2 ASN 58 -23.989 0.329 -2.479 486 HB3 ASN 58 HB1 ASN 58 -22.230 0.242 -2.390 487 HD21 ASN 58 HD21 ASN 58 -25.158 -1.471 -3.047 488 HD22 ASN 58 HD22 ASN 58 -24.424 -2.899 -3.696 489 HA PRO 59 HA PRO 59 -19.982 0.776 1.701 490 HB2 PRO 59 HB2 PRO 59 -18.018 -1.182 1.226 491 HB3 PRO 59 HB1 PRO 59 -19.117 -1.113 2.609 492 HG2 PRO 59 HG2 PRO 59 -19.076 -3.045 0.563 493 HG3 PRO 59 HG1 PRO 59 -20.263 -2.871 1.865 494 HD2 PRO 59 HD2 PRO 59 -20.464 -2.088 -0.967 495 HD3 PRO 59 HD1 PRO 59 -21.744 -2.438 0.209 496 H TYR 60 HN TYR 60 -18.981 2.483 0.826 497 HA TYR 60 HA TYR 60 -17.378 2.047 -1.605 498 HB2 TYR 60 HB2 TYR 60 -19.011 4.469 -0.833 499 HB3 TYR 60 HB1 TYR 60 -17.870 4.441 -2.171 500 HD1 TYR 60 HD1 TYR 60 -18.431 1.803 -3.379 501 HD2 TYR 60 HD2 TYR 60 -21.088 4.729 -1.818 502 HE1 TYR 60 HE1 TYR 60 -20.204 0.976 -4.867 503 HE2 TYR 60 HE2 TYR 60 -22.873 3.911 -3.297 504 HH TYR 60 HH TYR 60 -22.600 0.968 -5.055 505 H ALA 61 HN ALA 61 -15.730 3.810 -1.906 506 HA ALA 61 HA ALA 61 -14.462 4.428 0.685 507 HB1 ALA 61 HB1 ALA 61 -13.215 2.697 -0.463 508 HB2 ALA 61 HB2 ALA 61 -12.292 4.198 -0.466 509 HB3 ALA 61 HB3 ALA 61 -13.139 3.681 -1.924 510 H VAL 62 HN VAL 62 -12.475 6.069 -0.108 511 HA VAL 62 HA VAL 62 -13.801 8.262 -1.559 512 HB VAL 62 HB VAL 62 -11.937 8.714 0.769 513 HG11 VAL 62 HG11 VAL 62 -13.985 10.465 -0.567 514 HG12 VAL 62 HG12 VAL 62 -12.237 10.571 -0.763 515 HG13 VAL 62 HG13 VAL 62 -12.973 10.925 0.800 516 HG21 VAL 62 HG21 VAL 62 -14.949 8.670 0.908 517 HG22 VAL 62 HG22 VAL 62 -13.843 9.086 2.216 518 HG23 VAL 62 HG23 VAL 62 -13.881 7.441 1.585 519 H CYS 63 HN CYS 63 -12.610 8.927 -3.260 520 HA CYS 63 HA CYS 63 -9.954 7.903 -3.637 521 HB2 CYS 63 HB2 CYS 63 -10.124 9.468 -5.723 522 HB3 CYS 63 HB1 CYS 63 -11.104 8.007 -5.649 523 H ASP 64 HN ASP 64 -8.228 9.502 -4.449 524 HA ASP 64 HA ASP 64 -7.386 11.079 -2.333 525 HB2 ASP 64 HB2 ASP 64 -5.867 10.275 -4.077 526 HB3 ASP 64 HB1 ASP 64 -6.614 11.364 -5.243 527 H LYS 65 HN LYS 65 -9.358 11.956 -5.081 528 HA LYS 65 HA LYS 65 -9.147 14.730 -4.998 529 HB2 LYS 65 HB2 LYS 65 -11.561 13.062 -5.723 530 HB3 LYS 65 HB1 LYS 65 -11.320 14.752 -6.143 531 HG2 LYS 65 HG2 LYS 65 -10.000 14.259 -7.875 532 HG3 LYS 65 HG1 LYS 65 -9.127 13.013 -6.981 533 HD2 LYS 65 HD2 LYS 65 -10.243 11.916 -8.761 534 HD3 LYS 65 HD1 LYS 65 -11.157 11.542 -7.298 535 HE2 LYS 65 HE2 LYS 65 -12.643 13.504 -7.907 536 HE3 LYS 65 HE1 LYS 65 -11.842 13.494 -9.478 537 HZ1 LYS 65 HZ1 LYS 65 -13.699 11.554 -8.325 538 HZ2 LYS 65 HZ2 LYS 65 -12.497 10.972 -9.366 539 HZ3 LYS 65 HZ3 LYS 65 -13.591 12.140 -9.909 540 H CYS 66 HN CYS 66 -11.768 12.756 -3.585 541 HA CYS 66 HA CYS 66 -12.751 14.946 -2.042 542 HB2 CYS 66 HB2 CYS 66 -13.589 12.263 -1.229 543 HB3 CYS 66 HB1 CYS 66 -14.556 13.631 -1.767 544 H LEU 67 HN LEU 67 -10.530 12.310 -1.458 545 HA LEU 67 HA LEU 67 -10.559 12.146 1.309 546 HB2 LEU 67 HB2 LEU 67 -8.578 11.552 -0.795 547 HB3 LEU 67 HB1 LEU 67 -7.939 11.728 0.825 548 HG LEU 67 HG LEU 67 -10.073 9.767 -0.021 549 HD11 LEU 67 HD11 LEU 67 -7.186 9.356 0.743 550 HD12 LEU 67 HD12 LEU 67 -7.863 9.207 -0.877 551 HD13 LEU 67 HD13 LEU 67 -8.355 8.083 0.390 552 HD21 LEU 67 HD21 LEU 67 -8.764 10.282 2.644 553 HD22 LEU 67 HD22 LEU 67 -9.668 8.818 2.262 554 HD23 LEU 67 HD23 LEU 67 -10.479 10.384 2.249 555 H LYS 68 HN LYS 68 -8.597 14.359 -0.692 556 HA LYS 68 HA LYS 68 -7.321 15.513 1.591 557 HB2 LYS 68 HB2 LYS 68 -6.514 17.239 -0.020 558 HB3 LYS 68 HB1 LYS 68 -6.126 15.582 -0.454 559 HG2 LYS 68 HG2 LYS 68 -8.286 15.736 -1.894 560 HG3 LYS 68 HG1 LYS 68 -8.038 17.479 -1.737 561 HD2 LYS 68 HD2 LYS 68 -5.871 17.336 -2.730 562 HD3 LYS 68 HD1 LYS 68 -5.903 15.572 -2.679 563 HE2 LYS 68 HE2 LYS 68 -8.078 15.933 -4.130 564 HE3 LYS 68 HE1 LYS 68 -7.280 17.453 -4.521 565 HZ1 LYS 68 HZ1 LYS 68 -5.974 14.796 -4.796 566 HZ2 LYS 68 HZ2 LYS 68 -5.404 16.288 -5.355 567 HZ3 LYS 68 HZ3 LYS 68 -6.769 15.595 -6.063 568 H PHE 69 HN PHE 69 -10.343 15.980 0.124 569 HA PHE 69 HA PHE 69 -10.710 18.680 1.056 570 HB2 PHE 69 HB2 PHE 69 -12.363 16.686 -0.408 571 HB3 PHE 69 HB1 PHE 69 -13.229 17.884 0.548 572 HD1 PHE 69 HD2 PHE 69 -12.643 20.349 0.164 573 HD2 PHE 69 HD1 PHE 69 -11.586 17.242 -2.549 574 HE1 PHE 69 HE2 PHE 69 -12.356 22.010 -1.626 575 HE2 PHE 69 HE1 PHE 69 -11.296 18.903 -4.343 576 HZ PHE 69 HZ PHE 69 -11.679 21.292 -3.883 577 H TYR 70 HN TYR 70 -11.545 15.436 2.117 578 HA TYR 70 HA TYR 70 -12.952 16.467 4.450 579 HB2 TYR 70 HB2 TYR 70 -12.574 13.737 3.260 580 HB3 TYR 70 HB1 TYR 70 -13.205 13.934 4.890 581 HD1 TYR 70 HD1 TYR 70 -15.377 15.040 5.248 582 HD2 TYR 70 HD2 TYR 70 -13.913 14.238 1.334 583 HE1 TYR 70 HE1 TYR 70 -17.636 15.374 4.339 584 HE2 TYR 70 HE2 TYR 70 -16.169 14.572 0.418 585 HH TYR 70 HH TYR 70 -18.717 15.932 2.228 586 H MET 1 HT1 MET 1 24.312 5.192 -0.663 587 HA MET 1 HA MET 1 25.452 2.491 -1.043 588 HB2 MET 1 HB2 MET 1 26.729 5.110 -0.948 589 HB3 MET 1 HB1 MET 1 27.302 4.051 0.331 590 HG2 MET 1 HG2 MET 1 27.262 3.317 -2.583 591 HG3 MET 1 HG1 MET 1 28.657 3.984 -1.738 592 HE1 MET 1 HE1 MET 1 30.188 2.719 -0.163 593 HE2 MET 1 HE2 MET 1 29.798 1.185 0.614 594 HE3 MET 1 HE3 MET 1 28.876 2.632 1.011 595 H PHE 2 HN PHE 2 26.502 1.842 1.106 596 HA PHE 2 HA PHE 2 25.087 2.911 3.425 597 HB2 PHE 2 HB2 PHE 2 24.182 0.604 2.178 598 HB3 PHE 2 HB1 PHE 2 25.182 -0.006 3.493 599 HD1 PHE 2 HD1 PHE 2 24.579 0.400 5.810 600 HD2 PHE 2 HD2 PHE 2 22.151 1.831 2.618 601 HE1 PHE 2 HE1 PHE 2 22.744 0.814 7.394 602 HE2 PHE 2 HE2 PHE 2 20.313 2.243 4.201 603 HZ PHE 2 HZ PHE 2 20.609 1.735 6.591 604 H GLN 3 HN GLN 3 25.970 1.648 5.462 605 HA GLN 3 HA GLN 3 28.857 1.854 5.243 606 HB2 GLN 3 HB2 GLN 3 28.911 2.001 7.624 607 HB3 GLN 3 HB1 GLN 3 27.601 3.027 7.059 608 HG2 GLN 3 HG2 GLN 3 25.980 1.680 7.939 609 HG3 GLN 3 HG1 GLN 3 26.981 0.232 7.857 610 HE21 GLN 3 HE21 GLN 3 28.576 -0.100 9.453 611 HE22 GLN 3 HE22 GLN 3 28.482 0.699 10.983 612 H ASP 4 HN ASP 4 30.279 0.334 6.147 613 HA ASP 4 HA ASP 4 29.590 -2.402 5.556 614 HB2 ASP 4 HB2 ASP 4 31.815 -1.128 5.108 615 HB3 ASP 4 HB1 ASP 4 32.170 -1.461 6.795 616 HA PRO 5 HA PRO 5 30.411 -4.297 6.048 617 HB2 PRO 5 HB2 PRO 5 29.651 -6.684 7.290 618 HB3 PRO 5 HB1 PRO 5 31.281 -5.998 7.288 619 HG2 PRO 5 HG2 PRO 5 29.557 -6.313 9.505 620 HG3 PRO 5 HG1 PRO 5 31.136 -5.508 9.466 621 HD2 PRO 5 HD2 PRO 5 28.421 -4.328 9.385 622 HD3 PRO 5 HD1 PRO 5 29.944 -3.632 9.975 623 H GLN 6 HN GLN 6 27.951 -6.225 7.607 624 HA GLN 6 HA GLN 6 26.151 -5.634 5.356 625 HB2 GLN 6 HB2 GLN 6 26.153 -8.100 7.101 626 HB3 GLN 6 HB1 GLN 6 25.230 -7.848 5.627 627 HG2 GLN 6 HG2 GLN 6 27.163 -7.955 4.282 628 HG3 GLN 6 HG1 GLN 6 28.229 -7.842 5.680 629 HE21 GLN 6 HE21 GLN 6 26.203 -9.902 3.786 630 HE22 GLN 6 HE22 GLN 6 26.687 -11.395 4.505 631 H GLU 7 HN GLU 7 26.283 -3.968 7.631 632 HA GLU 7 HA GLU 7 24.155 -4.577 9.456 633 HB2 GLU 7 HB2 GLU 7 26.287 -2.791 9.389 634 HB3 GLU 7 HB1 GLU 7 24.872 -1.758 9.239 635 HG2 GLU 7 HG2 GLU 7 25.608 -2.053 11.563 636 HG3 GLU 7 HG1 GLU 7 23.962 -2.624 11.286 637 H ARG 8 HN ARG 8 22.720 -5.056 7.514 638 HA ARG 8 HA ARG 8 21.071 -2.704 6.981 639 HB2 ARG 8 HB2 ARG 8 22.161 -4.557 4.852 640 HB3 ARG 8 HB1 ARG 8 20.875 -3.391 4.577 641 HG2 ARG 8 HG2 ARG 8 22.313 -1.571 4.811 642 HG3 ARG 8 HG1 ARG 8 23.550 -2.535 5.619 643 HD2 ARG 8 HD2 ARG 8 22.847 -3.439 2.916 644 HD3 ARG 8 HD1 ARG 8 23.587 -1.842 2.988 645 HE ARG 8 HE ARG 8 25.397 -3.026 4.330 646 HH11 ARG 8 HH11 ARG 8 23.524 -4.646 1.843 647 HH12 ARG 8 HH12 ARG 8 24.799 -5.747 1.429 648 HH21 ARG 8 HH21 ARG 8 27.072 -4.492 3.781 649 HH22 ARG 8 HH22 ARG 8 26.800 -5.661 2.518 650 HA PRO 9 HA PRO 9 18.180 -5.979 8.146 651 HB2 PRO 9 HB2 PRO 9 15.982 -4.367 8.218 652 HB3 PRO 9 HB1 PRO 9 17.165 -4.448 9.539 653 HG2 PRO 9 HG2 PRO 9 16.902 -2.423 7.369 654 HG3 PRO 9 HG1 PRO 9 17.243 -2.192 9.097 655 HD2 PRO 9 HD2 PRO 9 19.182 -2.111 7.223 656 HD3 PRO 9 HD1 PRO 9 19.471 -2.720 8.866 657 H ARG 10 HN ARG 10 16.303 -6.976 7.126 658 HA ARG 10 HA ARG 10 16.296 -6.483 4.240 659 HB2 ARG 10 HB2 ARG 10 15.262 -8.821 5.842 660 HB3 ARG 10 HB1 ARG 10 15.166 -8.691 4.092 661 HG2 ARG 10 HG2 ARG 10 17.650 -8.900 5.774 662 HG3 ARG 10 HG1 ARG 10 17.009 -10.092 4.643 663 HD2 ARG 10 HD2 ARG 10 17.306 -8.313 2.847 664 HD3 ARG 10 HD1 ARG 10 18.253 -7.419 4.036 665 HE ARG 10 HE ARG 10 19.036 -9.807 2.611 666 HH11 ARG 10 HH11 ARG 10 19.672 -7.752 5.383 667 HH12 ARG 10 HH12 ARG 10 21.277 -8.358 5.614 668 HH21 ARG 10 HH21 ARG 10 21.163 -10.573 2.900 669 HH22 ARG 10 HH22 ARG 10 22.120 -9.960 4.210 670 H LYS 11 HN LYS 11 14.587 -5.236 6.639 671 HA LYS 11 HA LYS 11 12.068 -5.351 5.120 672 HB2 LYS 11 HB2 LYS 11 12.458 -5.023 8.098 673 HB3 LYS 11 HB1 LYS 11 10.913 -4.819 7.283 674 HG2 LYS 11 HG2 LYS 11 12.542 -7.352 7.285 675 HG3 LYS 11 HG1 LYS 11 11.166 -7.029 8.340 676 HD2 LYS 11 HD2 LYS 11 9.645 -7.058 6.546 677 HD3 LYS 11 HD1 LYS 11 10.924 -6.876 5.348 678 HE2 LYS 11 HE2 LYS 11 11.739 -9.113 5.844 679 HE3 LYS 11 HE1 LYS 11 10.505 -9.304 7.085 680 HZ1 LYS 11 HZ1 LYS 11 9.903 -8.826 4.224 681 HZ2 LYS 11 HZ2 LYS 11 8.800 -9.240 5.444 682 HZ3 LYS 11 HZ3 LYS 11 9.963 -10.363 4.930 683 H LEU 12 HN LEU 12 11.121 -3.514 4.518 684 HA LEU 12 HA LEU 12 12.599 -1.185 4.236 685 HB2 LEU 12 HB2 LEU 12 10.712 -1.837 2.801 686 HB3 LEU 12 HB1 LEU 12 9.603 -1.479 4.108 687 HG LEU 12 HG LEU 12 10.386 0.901 4.033 688 HD11 LEU 12 HD11 LEU 12 11.758 -0.035 1.520 689 HD12 LEU 12 HD12 LEU 12 12.547 0.549 2.986 690 HD13 LEU 12 HD13 LEU 12 11.560 1.645 2.018 691 HD21 LEU 12 HD21 LEU 12 8.314 0.350 2.995 692 HD22 LEU 12 HD22 LEU 12 9.132 -0.310 1.578 693 HD23 LEU 12 HD23 LEU 12 9.191 1.424 1.904 694 HA PRO 13 HA PRO 13 9.862 0.918 7.722 695 HB2 PRO 13 HB2 PRO 13 9.145 -0.918 9.694 696 HB3 PRO 13 HB1 PRO 13 8.053 -0.260 8.464 697 HG2 PRO 13 HG2 PRO 13 9.491 -2.860 8.511 698 HG3 PRO 13 HG1 PRO 13 7.853 -2.476 7.940 699 HD2 PRO 13 HD2 PRO 13 9.858 -2.856 6.219 700 HD3 PRO 13 HD1 PRO 13 8.609 -1.627 5.924 701 H GLN 14 HN GLN 14 11.850 -1.922 8.403 702 HA GLN 14 HA GLN 14 12.990 -0.819 10.782 703 HB2 GLN 14 HB2 GLN 14 12.769 -3.301 10.133 704 HB3 GLN 14 HB1 GLN 14 14.213 -3.037 9.164 705 HG2 GLN 14 HG2 GLN 14 15.524 -2.563 11.045 706 HG3 GLN 14 HG1 GLN 14 14.111 -2.355 12.079 707 HE21 GLN 14 HE21 GLN 14 14.536 -4.950 9.764 708 HE22 GLN 14 HE22 GLN 14 14.669 -6.218 10.926 709 H LEU 15 HN LEU 15 13.988 -1.112 7.408 710 HA LEU 15 HA LEU 15 16.604 -0.141 7.671 711 HB2 LEU 15 HB2 LEU 15 15.782 -1.256 5.649 712 HB3 LEU 15 HB1 LEU 15 14.711 0.096 5.330 713 HG LEU 15 HG LEU 15 16.721 1.554 5.072 714 HD11 LEU 15 HD11 LEU 15 18.890 0.480 4.727 715 HD12 LEU 15 HD12 LEU 15 18.199 -1.068 5.214 716 HD13 LEU 15 HD13 LEU 15 18.305 0.256 6.377 717 HD21 LEU 15 HD21 LEU 15 17.151 0.897 2.850 718 HD22 LEU 15 HD22 LEU 15 15.498 0.377 3.189 719 HD23 LEU 15 HD23 LEU 15 16.815 -0.797 3.204 720 H CYS 16 HN CYS 16 13.528 1.522 7.393 721 HA CYS 16 HA CYS 16 14.414 4.093 6.795 722 HB2 CYS 16 HB2 CYS 16 12.091 3.292 8.554 723 HB3 CYS 16 HB1 CYS 16 12.319 4.871 7.807 724 HG CYS 16 HG CYS 16 12.049 2.020 5.945 725 H THR 17 HN THR 17 14.250 2.414 9.887 726 HA THR 17 HA THR 17 14.802 4.609 11.562 727 HB THR 17 HB THR 17 15.764 1.856 12.227 728 HG1 THR 17 HG1 THR 17 13.835 1.044 12.015 729 HG21 THR 17 HG21 THR 17 14.780 2.442 14.428 730 HG22 THR 17 HG22 THR 17 14.338 4.019 13.776 731 HG23 THR 17 HG23 THR 17 16.036 3.565 13.911 732 H GLU 18 HN GLU 18 16.890 2.267 9.943 733 HA GLU 18 HA GLU 18 19.321 3.151 11.111 734 HB2 GLU 18 HB2 GLU 18 19.424 1.926 8.418 735 HB3 GLU 18 HB1 GLU 18 20.330 1.528 9.868 736 HG2 GLU 18 HG2 GLU 18 17.448 0.788 9.410 737 HG3 GLU 18 HG1 GLU 18 18.816 -0.267 9.078 738 H LEU 19 HN LEU 19 17.523 4.034 8.235 739 HA LEU 19 HA LEU 19 19.637 5.741 7.239 740 HB2 LEU 19 HB2 LEU 19 16.890 5.012 6.309 741 HB3 LEU 19 HB1 LEU 19 17.683 6.421 5.634 742 HG LEU 19 HG LEU 19 18.809 3.621 5.562 743 HD11 LEU 19 HD11 LEU 19 16.766 3.906 4.204 744 HD12 LEU 19 HD12 LEU 19 18.208 3.590 3.238 745 HD13 LEU 19 HD13 LEU 19 17.559 5.227 3.346 746 HD21 LEU 19 HD21 LEU 19 19.730 6.244 4.408 747 HD22 LEU 19 HD22 LEU 19 20.307 4.678 3.827 748 HD23 LEU 19 HD23 LEU 19 20.603 5.163 5.497 749 H GLN 20 HN GLN 20 17.475 6.061 9.678 750 HA GLN 20 HA GLN 20 16.692 7.794 10.921 751 HB2 GLN 20 HB2 GLN 20 18.797 9.219 9.309 752 HB3 GLN 20 HB1 GLN 20 17.833 10.051 10.518 753 HG2 GLN 20 HG2 GLN 20 18.719 8.707 12.266 754 HG3 GLN 20 HG1 GLN 20 19.494 7.617 11.115 755 HE21 GLN 20 HE21 GLN 20 20.562 9.303 13.325 756 HE22 GLN 20 HE22 GLN 20 21.808 10.258 12.599 757 H THR 21 HN THR 21 15.167 7.071 8.679 758 HA THR 21 HA THR 21 13.750 9.574 8.239 759 HB THR 21 HB THR 21 15.298 9.363 6.304 760 HG1 THR 21 HG1 THR 21 13.760 10.041 4.922 761 HG21 THR 21 HG21 THR 21 13.701 6.876 5.677 762 HG22 THR 21 HG22 THR 21 15.393 6.921 6.165 763 HG23 THR 21 HG23 THR 21 14.903 7.624 4.625 764 H THR 22 HN THR 22 11.821 8.681 6.457 765 HA THR 22 HA THR 22 10.661 6.343 7.839 766 HB THR 22 HB THR 22 8.419 7.400 7.543 767 HG1 THR 22 HG1 THR 22 9.729 9.878 7.190 768 HG21 THR 22 HG21 THR 22 10.410 8.941 9.209 769 HG22 THR 22 HG22 THR 22 9.513 7.506 9.707 770 HG23 THR 22 HG23 THR 22 8.659 9.015 9.393 771 H ILE 23 HN ILE 23 8.611 5.631 6.528 772 HA ILE 23 HA ILE 23 9.500 4.643 4.040 773 HB ILE 23 HB ILE 23 6.632 4.764 4.988 774 HG12 ILE 23 HG12 ILE 23 8.656 2.595 5.574 775 HG13 ILE 23 HG11 ILE 23 8.217 3.856 6.721 776 HG21 ILE 23 HG21 ILE 23 6.364 2.724 3.673 777 HG22 ILE 23 HG22 ILE 23 8.064 2.799 3.203 778 HG23 ILE 23 HG23 ILE 23 6.944 4.053 2.667 779 HD11 ILE 23 HD11 ILE 23 7.024 1.827 7.216 780 HD12 ILE 23 HD12 ILE 23 6.387 1.764 5.571 781 HD13 ILE 23 HD13 ILE 23 5.892 3.061 6.662 782 H HIS 24 HN HIS 24 7.987 7.587 4.927 783 HA HIS 24 HA HIS 24 6.836 8.095 2.314 784 HB2 HIS 24 HB2 HIS 24 7.080 9.981 4.666 785 HB3 HIS 24 HB1 HIS 24 6.051 10.187 3.254 786 HD1 HIS 24 HD1 HIS 24 4.003 8.393 3.071 787 HD2 HIS 24 HD2 HIS 24 5.972 8.645 6.728 788 HE1 HIS 24 HE1 HIS 24 2.483 7.306 4.776 789 H ASP 25 HN ASP 25 9.907 8.318 3.604 790 HA ASP 25 HA ASP 25 10.588 10.401 1.649 791 HB2 ASP 25 HB2 ASP 25 10.722 11.387 3.856 792 HB3 ASP 25 HB1 ASP 25 11.776 10.085 4.401 793 H ILE 26 HN ILE 26 11.539 7.433 3.225 794 HA ILE 26 HA ILE 26 14.135 7.094 2.473 795 HB ILE 26 HB ILE 26 12.911 5.477 3.831 796 HG12 ILE 26 HG12 ILE 26 13.979 4.025 1.417 797 HG13 ILE 26 HG11 ILE 26 15.033 4.904 2.520 798 HG21 ILE 26 HG21 ILE 26 11.633 4.554 1.261 799 HG22 ILE 26 HG22 ILE 26 10.818 5.438 2.552 800 HG23 ILE 26 HG23 ILE 26 11.440 3.815 2.851 801 HD11 ILE 26 HD11 ILE 26 14.930 2.497 2.992 802 HD12 ILE 26 HD12 ILE 26 13.203 2.652 3.315 803 HD13 ILE 26 HD13 ILE 26 14.374 3.476 4.347 804 H ILE 27 HN ILE 27 15.243 6.994 0.672 805 HA ILE 27 HA ILE 27 13.829 6.820 -1.883 806 HB ILE 27 HB ILE 27 16.716 7.539 -1.337 807 HG12 ILE 27 HG12 ILE 27 15.142 9.195 -0.394 808 HG13 ILE 27 HG11 ILE 27 16.063 9.854 -1.740 809 HG21 ILE 27 HG21 ILE 27 16.350 6.627 -3.576 810 HG22 ILE 27 HG22 ILE 27 16.752 8.343 -3.639 811 HG23 ILE 27 HG23 ILE 27 15.081 7.821 -3.859 812 HD11 ILE 27 HD11 ILE 27 13.200 8.938 -1.784 813 HD12 ILE 27 HD12 ILE 27 14.113 9.437 -3.208 814 HD13 ILE 27 HD13 ILE 27 13.799 10.592 -1.912 815 H LEU 28 HN LEU 28 13.603 4.816 -2.634 816 HA LEU 28 HA LEU 28 15.938 3.036 -2.499 817 HB2 LEU 28 HB2 LEU 28 13.386 2.623 -1.336 818 HB3 LEU 28 HB1 LEU 28 13.509 1.527 -2.697 819 HG LEU 28 HG LEU 28 15.551 0.559 -1.768 820 HD11 LEU 28 HD11 LEU 28 16.635 2.263 -0.627 821 HD12 LEU 28 HD12 LEU 28 16.052 1.215 0.667 822 HD13 LEU 28 HD13 LEU 28 15.193 2.705 0.284 823 HD21 LEU 28 HD21 LEU 28 14.044 0.327 0.659 824 HD22 LEU 28 HD22 LEU 28 14.285 -0.857 -0.626 825 HD23 LEU 28 HD23 LEU 28 12.963 0.306 -0.733 826 H GLU 29 HN GLU 29 16.522 2.088 -4.360 827 HA GLU 29 HA GLU 29 14.954 2.744 -6.756 828 HB2 GLU 29 HB2 GLU 29 17.715 1.612 -6.902 829 HB3 GLU 29 HB1 GLU 29 16.932 2.773 -7.961 830 HG2 GLU 29 HG2 GLU 29 17.404 3.722 -5.225 831 HG3 GLU 29 HG1 GLU 29 18.858 3.374 -6.158 832 H CYS 30 HN CYS 30 14.805 1.064 -8.439 833 HA CYS 30 HA CYS 30 14.023 -1.440 -7.360 834 HB2 CYS 30 HB2 CYS 30 12.987 -0.539 -9.400 835 HB3 CYS 30 HB1 CYS 30 14.529 -0.665 -10.247 836 H VAL 31 HN VAL 31 14.993 -3.425 -7.452 837 HA VAL 31 HA VAL 31 17.838 -3.438 -7.367 838 HB VAL 31 HB VAL 31 16.493 -4.904 -5.936 839 HG11 VAL 31 HG11 VAL 31 15.736 -6.259 -8.515 840 HG12 VAL 31 HG12 VAL 31 14.665 -5.456 -7.371 841 HG13 VAL 31 HG13 VAL 31 15.473 -6.952 -6.917 842 HG21 VAL 31 HG21 VAL 31 17.765 -7.009 -6.292 843 HG22 VAL 31 HG22 VAL 31 18.775 -5.562 -6.315 844 HG23 VAL 31 HG23 VAL 31 18.339 -6.357 -7.829 845 H TYR 32 HN TYR 32 15.521 -4.012 -9.867 846 HA TYR 32 HA TYR 32 17.640 -5.156 -11.561 847 HB2 TYR 32 HB2 TYR 32 14.636 -5.317 -11.881 848 HB3 TYR 32 HB1 TYR 32 15.811 -6.003 -13.000 849 HD1 TYR 32 HD2 TYR 32 17.768 -7.272 -11.317 850 HD2 TYR 32 HD1 TYR 32 13.548 -7.052 -10.796 851 HE1 TYR 32 HE2 TYR 32 17.834 -9.325 -9.969 852 HE2 TYR 32 HE1 TYR 32 13.607 -9.104 -9.444 853 HH TYR 32 HH TYR 32 15.166 -11.139 -9.248 854 H CYS 33 HN CYS 33 14.848 -2.936 -11.747 855 HA CYS 33 HA CYS 33 15.700 -1.815 -14.227 856 HB2 CYS 33 HB2 CYS 33 13.822 -0.480 -12.300 857 HB3 CYS 33 HB1 CYS 33 13.812 -0.421 -14.060 858 H LYS 34 HN LYS 34 16.382 -1.174 -10.907 859 HA LYS 34 HA LYS 34 17.671 0.331 -9.809 860 HB2 LYS 34 HB2 LYS 34 18.986 -0.099 -12.386 861 HB3 LYS 34 HB1 LYS 34 19.398 1.443 -11.651 862 HG2 LYS 34 HG2 LYS 34 21.024 -0.104 -10.933 863 HG3 LYS 34 HG1 LYS 34 19.965 0.179 -9.553 864 HD2 LYS 34 HD2 LYS 34 18.791 -1.896 -9.990 865 HD3 LYS 34 HD1 LYS 34 19.757 -2.163 -11.442 866 HE2 LYS 34 HE2 LYS 34 20.974 -1.892 -8.706 867 HE3 LYS 34 HE1 LYS 34 20.460 -3.443 -9.368 868 HZ1 LYS 34 HZ1 LYS 34 22.386 -1.650 -10.733 869 HZ2 LYS 34 HZ2 LYS 34 22.029 -3.261 -11.111 870 HZ3 LYS 34 HZ3 LYS 34 22.856 -2.892 -9.685 871 H GLN 35 HN GLN 35 15.202 1.277 -10.940 872 HA GLN 35 HA GLN 35 15.875 4.089 -11.459 873 HB2 GLN 35 HB2 GLN 35 13.691 4.314 -12.496 874 HB3 GLN 35 HB1 GLN 35 14.581 2.996 -13.244 875 HG2 GLN 35 HG2 GLN 35 13.307 1.381 -11.947 876 HG3 GLN 35 HG1 GLN 35 12.432 2.692 -11.160 877 HE21 GLN 35 HE21 GLN 35 13.324 2.726 -14.536 878 HE22 GLN 35 HE22 GLN 35 11.717 2.583 -15.156 879 H GLN 36 HN GLN 36 14.263 5.660 -10.589 880 HA GLN 36 HA GLN 36 14.033 5.379 -7.796 881 HB2 GLN 36 HB2 GLN 36 12.647 7.331 -9.643 882 HB3 GLN 36 HB1 GLN 36 12.750 7.485 -7.897 883 HG2 GLN 36 HG2 GLN 36 15.301 7.209 -9.355 884 HG3 GLN 36 HG1 GLN 36 14.413 8.714 -9.581 885 HE21 GLN 36 HE21 GLN 36 16.074 6.671 -7.307 886 HE22 GLN 36 HE22 GLN 36 16.240 7.872 -6.067 887 H LEU 37 HN LEU 37 12.607 4.204 -6.706 888 HA LEU 37 HA LEU 37 10.313 3.054 -7.920 889 HB2 LEU 37 HB2 LEU 37 11.782 2.660 -5.572 890 HB3 LEU 37 HB1 LEU 37 10.188 3.144 -5.025 891 HG LEU 37 HG LEU 37 9.379 1.308 -6.728 892 HD11 LEU 37 HD11 LEU 37 10.933 -0.576 -6.848 893 HD12 LEU 37 HD12 LEU 37 12.179 0.400 -6.071 894 HD13 LEU 37 HD13 LEU 37 11.575 0.848 -7.664 895 HD21 LEU 37 HD21 LEU 37 10.592 0.693 -4.036 896 HD22 LEU 37 HD22 LEU 37 9.462 -0.345 -4.904 897 HD23 LEU 37 HD23 LEU 37 8.945 1.245 -4.347 898 H LEU 38 HN LEU 38 8.202 3.670 -7.863 899 HA LEU 38 HA LEU 38 7.600 6.391 -7.359 900 HB2 LEU 38 HB2 LEU 38 6.379 4.281 -8.697 901 HB3 LEU 38 HB1 LEU 38 5.276 4.634 -7.380 902 HG LEU 38 HG LEU 38 6.284 6.858 -9.115 903 HD11 LEU 38 HD11 LEU 38 4.073 4.919 -9.766 904 HD12 LEU 38 HD12 LEU 38 5.498 5.298 -10.731 905 HD13 LEU 38 HD13 LEU 38 4.235 6.508 -10.514 906 HD21 LEU 38 HD21 LEU 38 5.048 7.394 -7.070 907 HD22 LEU 38 HD22 LEU 38 3.700 6.401 -7.626 908 HD23 LEU 38 HD23 LEU 38 4.144 7.860 -8.512 909 H ARG 39 HN ARG 39 6.701 7.369 -5.595 910 HA ARG 39 HA ARG 39 7.080 6.286 -3.074 911 HB2 ARG 39 HB2 ARG 39 6.852 8.709 -3.608 912 HB3 ARG 39 HB1 ARG 39 5.122 8.471 -3.787 913 HG2 ARG 39 HG2 ARG 39 5.743 9.426 -1.606 914 HG3 ARG 39 HG1 ARG 39 4.911 7.879 -1.461 915 HD2 ARG 39 HD2 ARG 39 6.802 8.024 0.078 916 HD3 ARG 39 HD1 ARG 39 7.037 6.748 -1.112 917 HE ARG 39 HE ARG 39 8.244 9.210 -1.922 918 HH11 ARG 39 HH11 ARG 39 8.692 6.409 0.151 919 HH12 ARG 39 HH12 ARG 39 10.426 6.508 0.108 920 HH21 ARG 39 HH21 ARG 39 10.518 9.356 -1.926 921 HH22 ARG 39 HH22 ARG 39 11.458 8.193 -1.043 922 H ARG 40 HN ARG 40 4.292 6.062 -5.173 923 HA ARG 40 HA ARG 40 2.466 5.156 -3.192 924 HB2 ARG 40 HB2 ARG 40 2.454 4.773 -6.192 925 HB3 ARG 40 HB1 ARG 40 1.127 4.328 -5.133 926 HG2 ARG 40 HG2 ARG 40 2.166 7.092 -5.708 927 HG3 ARG 40 HG1 ARG 40 0.599 6.415 -6.146 928 HD2 ARG 40 HD2 ARG 40 1.603 7.273 -3.456 929 HD3 ARG 40 HD1 ARG 40 0.137 7.760 -4.300 930 HE ARG 40 HE ARG 40 0.137 4.976 -3.675 931 HH11 ARG 40 HH11 ARG 40 -0.532 8.164 -2.385 932 HH12 ARG 40 HH12 ARG 40 -1.524 7.570 -1.086 933 HH21 ARG 40 HH21 ARG 40 -1.179 4.201 -1.962 934 HH22 ARG 40 HH22 ARG 40 -1.850 5.332 -0.825 935 H GLU 41 HN GLU 41 4.651 3.521 -5.439 936 HA GLU 41 HA GLU 41 3.829 0.889 -4.779 937 HB2 GLU 41 HB2 GLU 41 5.966 2.135 -6.371 938 HB3 GLU 41 HB1 GLU 41 6.385 0.573 -5.678 939 HG2 GLU 41 HG2 GLU 41 5.445 0.464 -7.971 940 HG3 GLU 41 HG1 GLU 41 4.563 -0.489 -6.778 941 H VAL 42 HN VAL 42 6.054 3.145 -3.366 942 HA VAL 42 HA VAL 42 7.605 1.369 -1.838 943 HB VAL 42 HB VAL 42 6.778 4.197 -1.122 944 HG11 VAL 42 HG11 VAL 42 8.698 4.243 0.327 945 HG12 VAL 42 HG12 VAL 42 9.162 2.616 -0.169 946 HG13 VAL 42 HG13 VAL 42 7.689 2.866 0.767 947 HG21 VAL 42 HG21 VAL 42 7.881 4.045 -3.309 948 HG22 VAL 42 HG22 VAL 42 9.242 3.213 -2.554 949 HG23 VAL 42 HG23 VAL 42 8.883 4.885 -2.123 950 H TYR 43 HN TYR 43 4.419 2.744 -1.381 951 HA TYR 43 HA TYR 43 4.078 1.886 1.313 952 HB2 TYR 43 HB2 TYR 43 2.039 2.634 -0.790 953 HB3 TYR 43 HB1 TYR 43 1.665 2.349 0.904 954 HD1 TYR 43 HD1 TYR 43 3.883 3.733 2.260 955 HD2 TYR 43 HD2 TYR 43 1.606 4.880 -1.146 956 HE1 TYR 43 HE1 TYR 43 4.337 6.094 2.759 957 HE2 TYR 43 HE2 TYR 43 2.056 7.248 -0.657 958 HH TYR 43 HH TYR 43 2.637 8.628 1.350 959 H ASP 44 HN ASP 44 3.407 0.505 -1.850 960 HA ASP 44 HA ASP 44 1.868 -1.703 -0.942 961 HB2 ASP 44 HB2 ASP 44 2.219 -0.737 -3.367 962 HB3 ASP 44 HB1 ASP 44 3.573 -1.862 -3.406 963 H PHE 45 HN PHE 45 5.302 -1.146 -1.476 964 HA PHE 45 HA PHE 45 6.205 -3.779 -1.092 965 HB2 PHE 45 HB2 PHE 45 7.516 -1.752 -1.970 966 HB3 PHE 45 HB1 PHE 45 7.773 -1.330 -0.280 967 HD1 PHE 45 HD1 PHE 45 8.296 -4.014 -2.769 968 HD2 PHE 45 HD2 PHE 45 9.492 -2.322 0.939 969 HE1 PHE 45 HE1 PHE 45 10.213 -5.549 -2.697 970 HE2 PHE 45 HE2 PHE 45 11.415 -3.853 1.026 971 HZ PHE 45 HZ PHE 45 11.777 -5.472 -0.796 972 H ALA 46 HN ALA 46 5.385 -1.230 1.170 973 HA ALA 46 HA ALA 46 6.349 -2.733 3.458 974 HB1 ALA 46 HB1 ALA 46 5.638 -0.847 4.780 975 HB2 ALA 46 HB2 ALA 46 4.757 -0.172 3.409 976 HB3 ALA 46 HB3 ALA 46 6.518 -0.264 3.372 977 H PHE 47 HN PHE 47 3.512 -2.469 1.611 978 HA PHE 47 HA PHE 47 1.624 -3.182 3.653 979 HB2 PHE 47 HB2 PHE 47 1.375 -2.060 1.201 980 HB3 PHE 47 HB1 PHE 47 0.991 -3.731 0.809 981 HD1 PHE 47 HD1 PHE 47 -0.025 -0.797 2.769 982 HD2 PHE 47 HD2 PHE 47 -1.049 -4.734 1.512 983 HE1 PHE 47 HE1 PHE 47 -2.327 -0.451 3.567 984 HE2 PHE 47 HE2 PHE 47 -3.348 -4.394 2.307 985 HZ PHE 47 HZ PHE 47 -3.994 -2.253 3.336 986 H ARG 48 HN ARG 48 3.165 -4.882 0.935 987 HA ARG 48 HA ARG 48 2.195 -7.449 1.932 988 HB2 ARG 48 HB2 ARG 48 4.053 -7.010 -0.408 989 HB3 ARG 48 HB1 ARG 48 3.042 -8.409 -0.081 990 HG2 ARG 48 HG2 ARG 48 1.047 -7.052 -0.488 991 HG3 ARG 48 HG1 ARG 48 2.079 -5.667 -0.847 992 HD2 ARG 48 HD2 ARG 48 3.151 -7.464 -2.526 993 HD3 ARG 48 HD1 ARG 48 1.499 -8.076 -2.465 994 HE ARG 48 HE ARG 48 1.675 -5.232 -2.913 995 HH11 ARG 48 HH11 ARG 48 1.619 -8.389 -4.454 996 HH12 ARG 48 HH12 ARG 48 1.121 -7.766 -5.991 997 HH21 ARG 48 HH21 ARG 48 1.054 -4.402 -4.921 998 HH22 ARG 48 HH22 ARG 48 0.819 -5.478 -6.268 999 H ASP 49 HN ASP 49 3.664 -9.158 2.532 1000 HA ASP 49 HA ASP 49 5.989 -8.089 3.885 1001 HB2 ASP 49 HB2 ASP 49 4.488 -9.779 4.966 1002 HB3 ASP 49 HB1 ASP 49 5.087 -10.968 3.812 1003 H LEU 50 HN LEU 50 7.375 -7.537 2.236 1004 HA LEU 50 HA LEU 50 8.562 -9.812 0.791 1005 HB2 LEU 50 HB2 LEU 50 7.955 -7.030 -0.047 1006 HB3 LEU 50 HB1 LEU 50 9.465 -7.711 -0.620 1007 HG LEU 50 HG LEU 50 7.748 -9.720 -1.231 1008 HD11 LEU 50 HD11 LEU 50 5.775 -8.705 -2.274 1009 HD12 LEU 50 HD12 LEU 50 6.223 -7.146 -1.581 1010 HD13 LEU 50 HD13 LEU 50 5.787 -8.490 -0.523 1011 HD21 LEU 50 HD21 LEU 50 8.459 -7.313 -2.904 1012 HD22 LEU 50 HD22 LEU 50 7.858 -8.849 -3.532 1013 HD23 LEU 50 HD23 LEU 50 9.418 -8.782 -2.710 1014 H CYS 51 HN CYS 51 10.943 -9.229 0.177 1015 HA CYS 51 HA CYS 51 12.195 -8.063 2.575 1016 HB2 CYS 51 HB2 CYS 51 13.179 -10.373 0.880 1017 HB3 CYS 51 HB1 CYS 51 14.052 -9.666 2.238 1018 HG CYS 51 HG CYS 51 12.521 -12.237 2.578 1019 H ILE 52 HN ILE 52 14.042 -6.823 2.294 1020 HA ILE 52 HA ILE 52 14.204 -5.484 -0.249 1021 HB ILE 52 HB ILE 52 15.783 -5.087 2.297 1022 HG12 ILE 52 HG12 ILE 52 13.491 -3.553 1.056 1023 HG13 ILE 52 HG11 ILE 52 13.442 -4.497 2.541 1024 HG21 ILE 52 HG21 ILE 52 17.110 -4.384 0.395 1025 HG22 ILE 52 HG22 ILE 52 16.546 -2.975 1.291 1026 HG23 ILE 52 HG23 ILE 52 15.764 -3.426 -0.222 1027 HD11 ILE 52 HD11 ILE 52 15.232 -2.119 2.195 1028 HD12 ILE 52 HD12 ILE 52 14.780 -2.943 3.687 1029 HD13 ILE 52 HD13 ILE 52 13.581 -2.004 2.800 1030 H VAL 53 HN VAL 53 15.559 -5.911 -1.826 1031 HA VAL 53 HA VAL 53 17.580 -7.969 -1.449 1032 HB VAL 53 HB VAL 53 17.691 -7.141 -4.112 1033 HG11 VAL 53 HG11 VAL 53 17.836 -9.435 -3.348 1034 HG12 VAL 53 HG12 VAL 53 16.565 -9.287 -4.563 1035 HG13 VAL 53 HG13 VAL 53 16.141 -9.406 -2.856 1036 HG21 VAL 53 HG21 VAL 53 15.332 -7.221 -4.854 1037 HG22 VAL 53 HG22 VAL 53 15.686 -5.799 -3.869 1038 HG23 VAL 53 HG23 VAL 53 14.821 -7.168 -3.166 1039 H TYR 54 HN TYR 54 19.666 -7.532 -1.239 1040 HA TYR 54 HA TYR 54 20.533 -4.766 -1.725 1041 HB2 TYR 54 HB2 TYR 54 21.511 -6.869 0.197 1042 HB3 TYR 54 HB1 TYR 54 22.452 -5.426 -0.177 1043 HD1 TYR 54 HD2 TYR 54 21.679 -3.217 0.523 1044 HD2 TYR 54 HD1 TYR 54 19.494 -6.724 1.533 1045 HE1 TYR 54 HE2 TYR 54 20.403 -1.935 2.189 1046 HE2 TYR 54 HE1 TYR 54 18.209 -5.452 3.199 1047 HH TYR 54 HH TYR 54 18.127 -3.507 4.372 1048 H ARG 55 HN ARG 55 21.485 -4.572 -3.616 1049 HA ARG 55 HA ARG 55 23.108 -6.755 -4.675 1050 HB2 ARG 55 HB2 ARG 55 21.477 -4.808 -5.867 1051 HB3 ARG 55 HB1 ARG 55 23.121 -4.323 -6.259 1052 HG2 ARG 55 HG2 ARG 55 21.823 -6.971 -6.866 1053 HG3 ARG 55 HG1 ARG 55 22.249 -5.705 -8.017 1054 HD2 ARG 55 HD2 ARG 55 24.114 -6.921 -8.310 1055 HD3 ARG 55 HD1 ARG 55 24.644 -6.139 -6.823 1056 HE ARG 55 HE ARG 55 23.186 -8.641 -6.530 1057 HH11 ARG 55 HH11 ARG 55 26.282 -6.998 -6.610 1058 HH12 ARG 55 HH12 ARG 55 27.132 -8.315 -5.855 1059 HH21 ARG 55 HH21 ARG 55 24.311 -10.355 -5.511 1060 HH22 ARG 55 HH22 ARG 55 26.015 -10.208 -5.222 1061 H ASP 56 HN ASP 56 25.149 -6.829 -4.072 1062 HA ASP 56 HA ASP 56 27.299 -6.253 -3.645 1063 HB2 ASP 56 HB2 ASP 56 26.357 -3.690 -4.886 1064 HB3 ASP 56 HB1 ASP 56 27.941 -3.767 -4.122 1065 H GLY 57 HN GLY 57 25.674 -3.200 -2.794 1066 HA2 GLY 57 HA2 GLY 57 25.662 -3.808 0.003 1067 HA3 GLY 57 HA1 GLY 57 26.996 -2.746 -0.423 1068 H ASN 58 HN ASN 58 23.959 -2.605 -2.143 1069 HA ASN 58 HA ASN 58 23.306 -0.130 -0.683 1070 HB2 ASN 58 HB2 ASN 58 24.329 0.360 -2.908 1071 HB3 ASN 58 HB1 ASN 58 23.009 -0.523 -3.670 1072 HD21 ASN 58 HD21 ASN 58 21.044 0.436 -3.885 1073 HD22 ASN 58 HD22 ASN 58 20.729 2.079 -3.463 1074 HA PRO 59 HA PRO 59 19.335 -2.040 -0.161 1075 HB2 PRO 59 HB2 PRO 59 17.882 0.235 0.324 1076 HB3 PRO 59 HB1 PRO 59 18.915 -0.543 1.534 1077 HG2 PRO 59 HG2 PRO 59 19.467 1.825 -0.177 1078 HG3 PRO 59 HG1 PRO 59 19.862 1.545 1.531 1079 HD2 PRO 59 HD2 PRO 59 21.702 1.294 -0.416 1080 HD3 PRO 59 HD1 PRO 59 21.717 0.274 1.038 1081 H TYR 60 HN TYR 60 18.159 -2.800 -1.800 1082 HA TYR 60 HA TYR 60 17.114 -0.884 -3.769 1083 HB2 TYR 60 HB2 TYR 60 18.271 -3.630 -4.243 1084 HB3 TYR 60 HB1 TYR 60 17.214 -2.844 -5.408 1085 HD1 TYR 60 HD2 TYR 60 17.967 -0.403 -6.102 1086 HD2 TYR 60 HD1 TYR 60 20.548 -3.349 -4.454 1087 HE1 TYR 60 HE2 TYR 60 19.905 0.758 -7.076 1088 HE2 TYR 60 HE1 TYR 60 22.491 -2.202 -5.421 1089 HH TYR 60 HH TYR 60 22.401 0.910 -6.591 1090 H ALA 61 HN ALA 61 15.030 -1.222 -4.458 1091 HA ALA 61 HA ALA 61 13.506 -3.179 -2.870 1092 HB1 ALA 61 HB1 ALA 61 11.558 -1.665 -3.291 1093 HB2 ALA 61 HB2 ALA 61 12.683 -0.514 -4.012 1094 HB3 ALA 61 HB3 ALA 61 12.839 -0.953 -2.313 1095 H VAL 62 HN VAL 62 11.227 -3.377 -4.157 1096 HA VAL 62 HA VAL 62 11.950 -4.262 -6.866 1097 HB VAL 62 HB VAL 62 9.753 -5.507 -5.217 1098 HG11 VAL 62 HG11 VAL 62 9.728 -5.906 -7.623 1099 HG12 VAL 62 HG12 VAL 62 10.083 -7.389 -6.734 1100 HG13 VAL 62 HG13 VAL 62 11.383 -6.510 -7.542 1101 HG21 VAL 62 HG21 VAL 62 12.602 -6.488 -5.374 1102 HG22 VAL 62 HG22 VAL 62 11.264 -7.264 -4.526 1103 HG23 VAL 62 HG23 VAL 62 11.879 -5.707 -3.967 1104 H CYS 63 HN CYS 63 11.015 -2.957 -8.318 1105 HA CYS 63 HA CYS 63 8.841 -1.237 -7.695 1106 HB2 CYS 63 HB2 CYS 63 8.874 -0.720 -10.130 1107 HB3 CYS 63 HB1 CYS 63 10.468 -0.610 -9.387 1108 H ASP 64 HN ASP 64 6.808 -1.233 -9.038 1109 HA ASP 64 HA ASP 64 5.274 -3.463 -8.495 1110 HB2 ASP 64 HB2 ASP 64 4.367 -1.217 -8.920 1111 HB3 ASP 64 HB1 ASP 64 4.757 -1.391 -10.628 1112 H LYS 65 HN LYS 65 7.293 -2.900 -11.289 1113 HA LYS 65 HA LYS 65 6.011 -4.691 -13.067 1114 HB2 LYS 65 HB2 LYS 65 8.983 -4.305 -13.086 1115 HB3 LYS 65 HB1 LYS 65 7.887 -4.508 -14.442 1116 HG2 LYS 65 HG2 LYS 65 7.019 -2.247 -14.068 1117 HG3 LYS 65 HG1 LYS 65 8.152 -2.049 -12.726 1118 HD2 LYS 65 HD2 LYS 65 9.909 -2.767 -14.555 1119 HD3 LYS 65 HD1 LYS 65 8.672 -2.164 -15.659 1120 HE2 LYS 65 HE2 LYS 65 10.092 -0.336 -15.239 1121 HE3 LYS 65 HE1 LYS 65 8.652 -0.056 -14.264 1122 HZ1 LYS 65 HZ1 LYS 65 10.503 0.418 -12.914 1123 HZ2 LYS 65 HZ2 LYS 65 11.298 -1.022 -13.340 1124 HZ3 LYS 65 HZ3 LYS 65 9.911 -1.075 -12.373 1125 H CYS 66 HN CYS 66 8.984 -5.130 -11.156 1126 HA CYS 66 HA CYS 66 8.998 -7.957 -11.552 1127 HB2 CYS 66 HB2 CYS 66 10.606 -6.850 -9.344 1128 HB3 CYS 66 HB1 CYS 66 11.098 -7.848 -10.707 1129 H LEU 67 HN LEU 67 7.819 -5.777 -9.112 1130 HA LEU 67 HA LEU 67 7.581 -7.375 -6.882 1131 HB2 LEU 67 HB2 LEU 67 7.064 -4.923 -7.115 1132 HB3 LEU 67 HB1 LEU 67 5.510 -5.386 -7.777 1133 HG LEU 67 HG LEU 67 5.175 -6.685 -5.577 1134 HD11 LEU 67 HD11 LEU 67 6.385 -5.797 -3.663 1135 HD12 LEU 67 HD12 LEU 67 7.362 -4.787 -4.732 1136 HD13 LEU 67 HD13 LEU 67 7.494 -6.544 -4.814 1137 HD21 LEU 67 HD21 LEU 67 3.917 -4.700 -6.173 1138 HD22 LEU 67 HD22 LEU 67 5.238 -3.671 -5.616 1139 HD23 LEU 67 HD23 LEU 67 4.347 -4.664 -4.464 1140 H LYS 68 HN LYS 68 5.114 -6.970 -9.434 1141 HA LYS 68 HA LYS 68 3.346 -8.851 -8.215 1142 HB2 LYS 68 HB2 LYS 68 2.059 -8.671 -10.324 1143 HB3 LYS 68 HB1 LYS 68 2.424 -7.117 -9.593 1144 HG2 LYS 68 HG2 LYS 68 4.144 -6.691 -11.201 1145 HG3 LYS 68 HG1 LYS 68 3.996 -8.323 -11.858 1146 HD2 LYS 68 HD2 LYS 68 2.611 -7.398 -13.358 1147 HD3 LYS 68 HD1 LYS 68 1.433 -7.378 -12.046 1148 HE2 LYS 68 HE2 LYS 68 3.354 -5.111 -12.456 1149 HE3 LYS 68 HE1 LYS 68 1.841 -5.202 -13.354 1150 HZ1 LYS 68 HZ1 LYS 68 0.973 -5.588 -10.864 1151 HZ2 LYS 68 HZ2 LYS 68 1.069 -4.068 -11.594 1152 HZ3 LYS 68 HZ3 LYS 68 2.301 -4.579 -10.551 1153 H PHE 69 HN PHE 69 5.919 -9.131 -10.542 1154 HA PHE 69 HA PHE 69 5.087 -11.713 -11.494 1155 HB2 PHE 69 HB2 PHE 69 7.627 -10.132 -11.888 1156 HB3 PHE 69 HB1 PHE 69 7.377 -11.734 -12.569 1157 HD1 PHE 69 HD1 PHE 69 4.238 -10.874 -12.932 1158 HD2 PHE 69 HD2 PHE 69 8.017 -9.412 -14.252 1159 HE1 PHE 69 HE1 PHE 69 3.162 -9.869 -14.898 1160 HE2 PHE 69 HE2 PHE 69 6.942 -8.402 -16.222 1161 HZ PHE 69 HZ PHE 69 4.511 -8.633 -16.547 1162 H TYR 70 HN TYR 70 7.184 -10.553 -8.963 1163 HA TYR 70 HA TYR 70 8.366 -13.177 -8.585 1164 HB2 TYR 70 HB2 TYR 70 8.863 -10.450 -7.503 1165 HB3 TYR 70 HB1 TYR 70 9.378 -11.830 -6.538 1166 HD1 TYR 70 HD1 TYR 70 9.669 -10.358 -9.942 1167 HD2 TYR 70 HD2 TYR 70 11.403 -12.889 -6.999 1168 HE1 TYR 70 HE1 TYR 70 11.697 -10.555 -11.320 1169 HE2 TYR 70 HE2 TYR 70 13.438 -13.095 -8.365 1170 HH TYR 70 HH TYR 70 13.879 -11.201 -11.311 Start of MODEL 15 1 H MET 1 HT1 MET 1 -22.416 -2.112 -5.756 2 HA MET 1 HA MET 1 -23.336 -2.067 -3.743 3 HB2 MET 1 HB2 MET 1 -25.052 -1.112 -5.268 4 HB3 MET 1 HB1 MET 1 -25.816 -2.691 -5.361 5 HG2 MET 1 HG2 MET 1 -26.461 -2.615 -3.089 6 HG3 MET 1 HG1 MET 1 -25.443 -1.210 -2.774 7 HE1 MET 1 HE1 MET 1 -29.340 -1.141 -5.250 8 HE2 MET 1 HE2 MET 1 -28.670 -2.574 -4.473 9 HE3 MET 1 HE3 MET 1 -27.854 -1.866 -5.865 10 H PHE 2 HN PHE 2 -23.781 -3.258 -1.944 11 HA PHE 2 HA PHE 2 -23.817 -6.136 -2.287 12 HB2 PHE 2 HB2 PHE 2 -23.317 -4.264 -0.023 13 HB3 PHE 2 HB1 PHE 2 -23.863 -5.890 0.366 14 HD1 PHE 2 HD1 PHE 2 -21.440 -4.425 -2.078 15 HD2 PHE 2 HD2 PHE 2 -22.162 -7.263 1.006 16 HE1 PHE 2 HE1 PHE 2 -19.132 -5.254 -2.303 17 HE2 PHE 2 HE2 PHE 2 -19.859 -8.097 0.785 18 HZ PHE 2 HZ PHE 2 -18.343 -7.090 -0.868 19 H GLN 3 HN GLN 3 -25.277 -7.427 -0.801 20 HA GLN 3 HA GLN 3 -27.933 -6.200 -0.580 21 HB2 GLN 3 HB2 GLN 3 -28.912 -8.337 -1.430 22 HB3 GLN 3 HB1 GLN 3 -28.001 -7.440 -2.638 23 HG2 GLN 3 HG2 GLN 3 -26.286 -8.968 -2.687 24 HG3 GLN 3 HG1 GLN 3 -26.634 -9.571 -1.066 25 HE21 GLN 3 HE21 GLN 3 -28.257 -11.088 -0.778 26 HE22 GLN 3 HE22 GLN 3 -28.921 -11.988 -2.102 27 H ASP 4 HN ASP 4 -29.421 -7.979 0.538 28 HA ASP 4 HA ASP 4 -28.308 -8.361 3.141 29 HB2 ASP 4 HB2 ASP 4 -30.477 -8.364 3.711 30 HB3 ASP 4 HB1 ASP 4 -30.901 -8.268 2.008 31 HA PRO 5 HA PRO 5 -28.615 -9.495 4.805 32 HB2 PRO 5 HB2 PRO 5 -27.586 -11.260 6.574 33 HB3 PRO 5 HB1 PRO 5 -29.182 -11.490 5.838 34 HG2 PRO 5 HG2 PRO 5 -26.708 -12.970 5.389 35 HG3 PRO 5 HG1 PRO 5 -28.379 -13.421 5.015 36 HD2 PRO 5 HD2 PRO 5 -26.370 -12.336 3.241 37 HD3 PRO 5 HD1 PRO 5 -27.992 -12.939 2.848 38 H GLN 6 HN GLN 6 -26.166 -9.376 3.024 39 HA GLN 6 HA GLN 6 -23.928 -9.211 4.815 40 HB2 GLN 6 HB2 GLN 6 -24.329 -8.476 1.921 41 HB3 GLN 6 HB1 GLN 6 -22.826 -8.146 2.769 42 HG2 GLN 6 HG2 GLN 6 -22.453 -10.475 3.156 43 HG3 GLN 6 HG1 GLN 6 -24.049 -10.880 2.525 44 HE21 GLN 6 HE21 GLN 6 -21.294 -11.665 1.708 45 HE22 GLN 6 HE22 GLN 6 -21.214 -11.289 0.022 46 H GLU 7 HN GLU 7 -24.405 -7.712 6.388 47 HA GLU 7 HA GLU 7 -25.290 -5.064 5.693 48 HB2 GLU 7 HB2 GLU 7 -25.044 -6.624 8.114 49 HB3 GLU 7 HB1 GLU 7 -24.394 -5.004 8.342 50 HG2 GLU 7 HG2 GLU 7 -27.161 -5.731 7.406 51 HG3 GLU 7 HG1 GLU 7 -26.709 -5.020 8.956 52 H ARG 8 HN ARG 8 -22.419 -6.545 5.395 53 HA ARG 8 HA ARG 8 -20.336 -5.831 4.894 54 HB2 ARG 8 HB2 ARG 8 -21.653 -3.124 5.041 55 HB3 ARG 8 HB1 ARG 8 -19.955 -3.333 4.639 56 HG2 ARG 8 HG2 ARG 8 -20.805 -3.267 2.539 57 HG3 ARG 8 HG1 ARG 8 -20.983 -4.996 2.837 58 HD2 ARG 8 HD2 ARG 8 -23.002 -3.936 1.859 59 HD3 ARG 8 HD1 ARG 8 -23.295 -4.724 3.406 60 HE ARG 8 HE ARG 8 -22.773 -1.849 3.413 61 HH11 ARG 8 HH11 ARG 8 -25.089 -4.459 3.647 62 HH12 ARG 8 HH12 ARG 8 -26.268 -3.510 4.513 63 HH21 ARG 8 HH21 ARG 8 -24.366 -0.572 4.480 64 HH22 ARG 8 HH22 ARG 8 -25.870 -1.300 4.944 65 HA PRO 9 HA PRO 9 -18.454 -5.100 8.827 66 HB2 PRO 9 HB2 PRO 9 -15.874 -5.064 8.085 67 HB3 PRO 9 HB1 PRO 9 -16.843 -6.542 7.939 68 HG2 PRO 9 HG2 PRO 9 -16.045 -4.597 5.838 69 HG3 PRO 9 HG1 PRO 9 -16.127 -6.367 5.770 70 HD2 PRO 9 HD2 PRO 9 -18.075 -4.668 4.794 71 HD3 PRO 9 HD1 PRO 9 -18.333 -6.365 5.237 72 H ARG 10 HN ARG 10 -15.905 -3.592 8.907 73 HA ARG 10 HA ARG 10 -16.757 -0.917 8.080 74 HB2 ARG 10 HB2 ARG 10 -16.096 -1.762 10.889 75 HB3 ARG 10 HB1 ARG 10 -15.916 -0.092 10.372 76 HG2 ARG 10 HG2 ARG 10 -18.484 -1.658 10.215 77 HG3 ARG 10 HG1 ARG 10 -18.053 -0.550 11.519 78 HD2 ARG 10 HD2 ARG 10 -18.504 1.275 10.283 79 HD3 ARG 10 HD1 ARG 10 -17.787 0.587 8.828 80 HE ARG 10 HE ARG 10 -20.148 -0.781 9.201 81 HH11 ARG 10 HH11 ARG 10 -19.214 2.553 8.715 82 HH12 ARG 10 HH12 ARG 10 -20.697 2.993 7.934 83 HH21 ARG 10 HH21 ARG 10 -22.129 -0.207 8.163 84 HH22 ARG 10 HH22 ARG 10 -22.350 1.430 7.621 85 H LYS 11 HN LYS 11 -14.460 -3.130 7.787 86 HA LYS 11 HA LYS 11 -12.347 -1.105 7.592 87 HB2 LYS 11 HB2 LYS 11 -12.122 -3.853 8.812 88 HB3 LYS 11 HB1 LYS 11 -10.717 -2.961 8.245 89 HG2 LYS 11 HG2 LYS 11 -12.651 -1.932 10.308 90 HG3 LYS 11 HG1 LYS 11 -11.145 -2.767 10.685 91 HD2 LYS 11 HD2 LYS 11 -9.831 -1.023 9.915 92 HD3 LYS 11 HD1 LYS 11 -11.110 -0.373 8.890 93 HE2 LYS 11 HE2 LYS 11 -10.843 1.122 10.725 94 HE3 LYS 11 HE1 LYS 11 -12.347 0.241 10.986 95 HZ1 LYS 11 HZ1 LYS 11 -9.882 0.203 12.508 96 HZ2 LYS 11 HZ2 LYS 11 -10.609 -1.312 12.274 97 HZ3 LYS 11 HZ3 LYS 11 -11.480 -0.064 13.012 98 H LEU 12 HN LEU 12 -10.790 -1.459 5.970 99 HA LEU 12 HA LEU 12 -11.803 -2.439 3.566 100 HB2 LEU 12 HB2 LEU 12 -10.077 -0.693 3.751 101 HB3 LEU 12 HB1 LEU 12 -8.918 -1.904 4.261 102 HG LEU 12 HG LEU 12 -9.103 -3.014 2.080 103 HD11 LEU 12 HD11 LEU 12 -11.384 -2.454 1.503 104 HD12 LEU 12 HD12 LEU 12 -10.292 -1.877 0.243 105 HD13 LEU 12 HD13 LEU 12 -10.969 -0.743 1.413 106 HD21 LEU 12 HD21 LEU 12 -7.988 -1.290 0.755 107 HD22 LEU 12 HD22 LEU 12 -7.400 -1.309 2.416 108 HD23 LEU 12 HD23 LEU 12 -8.531 -0.062 1.899 109 HA PRO 13 HA PRO 13 -8.736 -6.270 4.017 110 HB2 PRO 13 HB2 PRO 13 -8.498 -7.003 6.704 111 HB3 PRO 13 HB1 PRO 13 -7.238 -6.210 5.740 112 HG2 PRO 13 HG2 PRO 13 -9.156 -5.029 7.672 113 HG3 PRO 13 HG1 PRO 13 -7.459 -4.614 7.358 114 HD2 PRO 13 HD2 PRO 13 -9.442 -3.085 6.434 115 HD3 PRO 13 HD1 PRO 13 -7.970 -3.363 5.480 116 H GLN 14 HN GLN 14 -11.271 -5.574 6.354 117 HA GLN 14 HA GLN 14 -12.304 -8.220 6.509 118 HB2 GLN 14 HB2 GLN 14 -13.031 -5.554 7.515 119 HB3 GLN 14 HB1 GLN 14 -14.400 -6.611 7.209 120 HG2 GLN 14 HG2 GLN 14 -13.370 -8.315 8.661 121 HG3 GLN 14 HG1 GLN 14 -12.064 -7.182 9.015 122 HE21 GLN 14 HE21 GLN 14 -14.058 -8.414 10.776 123 HE22 GLN 14 HE22 GLN 14 -14.870 -7.104 11.559 124 H LEU 15 HN LEU 15 -12.964 -5.417 4.502 125 HA LEU 15 HA LEU 15 -15.360 -6.468 3.353 126 HB2 LEU 15 HB2 LEU 15 -14.852 -4.048 3.457 127 HB3 LEU 15 HB1 LEU 15 -13.545 -4.291 2.313 128 HG LEU 15 HG LEU 15 -15.243 -5.105 0.654 129 HD11 LEU 15 HD11 LEU 15 -17.597 -4.486 1.082 130 HD12 LEU 15 HD12 LEU 15 -17.165 -4.112 2.751 131 HD13 LEU 15 HD13 LEU 15 -17.014 -5.763 2.147 132 HD21 LEU 15 HD21 LEU 15 -14.354 -2.814 0.632 133 HD22 LEU 15 HD22 LEU 15 -15.666 -2.308 1.695 134 HD23 LEU 15 HD23 LEU 15 -16.024 -2.890 0.069 135 H CYS 16 HN CYS 16 -11.956 -6.538 2.521 136 HA CYS 16 HA CYS 16 -12.118 -7.420 -0.115 137 HB2 CYS 16 HB2 CYS 16 -10.053 -8.068 1.998 138 HB3 CYS 16 HB1 CYS 16 -9.852 -8.380 0.278 139 HG CYS 16 HG CYS 16 -10.613 -5.327 0.230 140 H THR 17 HN THR 17 -12.221 -9.260 2.907 141 HA THR 17 HA THR 17 -12.255 -11.819 1.679 142 HB THR 17 HB THR 17 -13.535 -12.076 4.144 143 HG1 THR 17 HG1 THR 17 -11.925 -10.742 5.392 144 HG21 THR 17 HG21 THR 17 -10.585 -12.170 3.499 145 HG22 THR 17 HG22 THR 17 -11.732 -13.491 3.284 146 HG23 THR 17 HG23 THR 17 -11.355 -12.906 4.904 147 H GLU 18 HN GLU 18 -14.731 -9.469 2.431 148 HA GLU 18 HA GLU 18 -16.960 -11.234 2.240 149 HB2 GLU 18 HB2 GLU 18 -16.927 -8.258 1.709 150 HB3 GLU 18 HB1 GLU 18 -18.321 -9.236 2.138 151 HG2 GLU 18 HG2 GLU 18 -15.946 -8.773 3.923 152 HG3 GLU 18 HG1 GLU 18 -17.449 -7.856 3.993 153 H LEU 19 HN LEU 19 -15.092 -9.327 -0.015 154 HA LEU 19 HA LEU 19 -16.861 -9.983 -2.236 155 HB2 LEU 19 HB2 LEU 19 -15.764 -7.721 -1.924 156 HB3 LEU 19 HB1 LEU 19 -14.242 -8.491 -2.321 157 HG LEU 19 HG LEU 19 -15.112 -9.069 -4.548 158 HD11 LEU 19 HD11 LEU 19 -17.567 -7.609 -3.601 159 HD12 LEU 19 HD12 LEU 19 -17.447 -9.291 -4.118 160 HD13 LEU 19 HD13 LEU 19 -17.231 -7.991 -5.289 161 HD21 LEU 19 HD21 LEU 19 -15.169 -6.787 -5.451 162 HD22 LEU 19 HD22 LEU 19 -13.885 -6.996 -4.258 163 HD23 LEU 19 HD23 LEU 19 -15.372 -6.155 -3.818 164 H GLN 20 HN GLN 20 -14.461 -11.487 -0.604 165 HA GLN 20 HA GLN 20 -13.131 -13.283 -0.957 166 HB2 GLN 20 HB2 GLN 20 -14.919 -13.566 -3.369 167 HB3 GLN 20 HB1 GLN 20 -13.719 -14.766 -2.909 168 HG2 GLN 20 HG2 GLN 20 -14.862 -15.342 -0.964 169 HG3 GLN 20 HG1 GLN 20 -15.825 -13.867 -0.984 170 HE21 GLN 20 HE21 GLN 20 -15.280 -15.741 -3.860 171 HE22 GLN 20 HE22 GLN 20 -16.889 -16.351 -4.009 172 H THR 21 HN THR 21 -11.948 -10.946 -1.596 173 HA THR 21 HA THR 21 -10.083 -11.797 -3.642 174 HB THR 21 HB THR 21 -11.865 -10.449 -4.827 175 HG1 THR 21 HG1 THR 21 -10.300 -9.347 -6.051 176 HG21 THR 21 HG21 THR 21 -11.796 -8.011 -4.589 177 HG22 THR 21 HG22 THR 21 -10.644 -8.169 -3.265 178 HG23 THR 21 HG23 THR 21 -12.286 -8.783 -3.081 179 H THR 22 HN THR 22 -8.437 -9.695 -3.848 180 HA THR 22 HA THR 22 -7.608 -9.238 -1.059 181 HB THR 22 HB THR 22 -5.332 -8.834 -2.054 182 HG1 THR 22 HG1 THR 22 -5.272 -9.994 -4.262 183 HG21 THR 22 HG21 THR 22 -6.557 -11.552 -2.560 184 HG22 THR 22 HG22 THR 22 -5.920 -10.978 -1.021 185 HG23 THR 22 HG23 THR 22 -4.835 -11.209 -2.390 186 H ILE 23 HN ILE 23 -6.092 -7.237 -0.920 187 HA ILE 23 HA ILE 23 -7.666 -4.933 -1.461 188 HB ILE 23 HB ILE 23 -4.778 -4.922 -0.600 189 HG12 ILE 23 HG12 ILE 23 -7.229 -5.276 1.146 190 HG13 ILE 23 HG11 ILE 23 -6.042 -6.529 0.793 191 HG21 ILE 23 HG21 ILE 23 -5.752 -2.751 -1.159 192 HG22 ILE 23 HG22 ILE 23 -5.419 -2.870 0.569 193 HG23 ILE 23 HG23 ILE 23 -7.069 -3.045 -0.023 194 HD11 ILE 23 HD11 ILE 23 -5.644 -5.610 2.979 195 HD12 ILE 23 HD12 ILE 23 -5.566 -3.977 2.316 196 HD13 ILE 23 HD13 ILE 23 -4.321 -5.156 1.902 197 H HIS 24 HN HIS 24 -5.246 -6.590 -3.210 198 HA HIS 24 HA HIS 24 -4.449 -4.292 -4.791 199 HB2 HIS 24 HB2 HIS 24 -3.714 -7.045 -5.649 200 HB3 HIS 24 HB1 HIS 24 -2.736 -5.584 -5.610 201 HD1 HIS 24 HD1 HIS 24 -1.406 -5.103 -3.424 202 HD2 HIS 24 HD2 HIS 24 -3.728 -8.551 -3.311 203 HE1 HIS 24 HE1 HIS 24 -0.700 -6.374 -1.352 204 H ASP 25 HN ASP 25 -7.011 -6.419 -4.779 205 HA ASP 25 HA ASP 25 -7.400 -6.128 -7.683 206 HB2 ASP 25 HB2 ASP 25 -7.197 -8.466 -6.940 207 HB3 ASP 25 HB1 ASP 25 -8.556 -8.230 -5.844 208 H ILE 26 HN ILE 26 -8.886 -5.754 -4.526 209 HA ILE 26 HA ILE 26 -11.510 -5.253 -5.358 210 HB ILE 26 HB ILE 26 -10.923 -5.693 -3.019 211 HG12 ILE 26 HG12 ILE 26 -12.226 -2.981 -3.280 212 HG13 ILE 26 HG11 ILE 26 -13.038 -4.490 -3.674 213 HG21 ILE 26 HG21 ILE 26 -9.907 -4.049 -1.603 214 HG22 ILE 26 HG22 ILE 26 -9.847 -2.886 -2.924 215 HG23 ILE 26 HG23 ILE 26 -8.849 -4.335 -2.985 216 HD11 ILE 26 HD11 ILE 26 -11.970 -3.695 -0.975 217 HD12 ILE 26 HD12 ILE 26 -12.750 -5.230 -1.355 218 HD13 ILE 26 HD13 ILE 26 -13.664 -3.726 -1.467 219 H ILE 27 HN ILE 27 -12.413 -3.639 -6.423 220 HA ILE 27 HA ILE 27 -10.948 -1.099 -6.656 221 HB ILE 27 HB ILE 27 -12.978 -2.224 -8.588 222 HG12 ILE 27 HG12 ILE 27 -10.899 -3.557 -8.547 223 HG13 ILE 27 HG11 ILE 27 -11.103 -2.697 -10.069 224 HG21 ILE 27 HG21 ILE 27 -12.121 -0.442 -10.084 225 HG22 ILE 27 HG22 ILE 27 -11.170 0.179 -8.737 226 HG23 ILE 27 HG23 ILE 27 -12.929 0.177 -8.643 227 HD11 ILE 27 HD11 ILE 27 -8.807 -2.587 -9.386 228 HD12 ILE 27 HD12 ILE 27 -9.265 -1.953 -7.806 229 HD13 ILE 27 HD13 ILE 27 -9.521 -0.980 -9.255 230 H LEU 28 HN LEU 28 -11.805 0.406 -5.403 231 HA LEU 28 HA LEU 28 -14.732 0.492 -5.086 232 HB2 LEU 28 HB2 LEU 28 -12.631 0.443 -3.130 233 HB3 LEU 28 HB1 LEU 28 -13.490 1.970 -3.012 234 HG LEU 28 HG LEU 28 -15.607 0.765 -2.707 235 HD11 LEU 28 HD11 LEU 28 -15.685 -1.624 -2.433 236 HD12 LEU 28 HD12 LEU 28 -13.944 -1.747 -2.684 237 HD13 LEU 28 HD13 LEU 28 -14.991 -1.249 -4.014 238 HD21 LEU 28 HD21 LEU 28 -13.383 -0.060 -0.853 239 HD22 LEU 28 HD22 LEU 28 -15.103 -0.217 -0.489 240 HD23 LEU 28 HD23 LEU 28 -14.393 1.381 -0.727 241 H GLU 29 HN GLU 29 -15.632 2.668 -4.735 242 HA GLU 29 HA GLU 29 -14.028 4.735 -6.081 243 HB2 GLU 29 HB2 GLU 29 -16.064 5.644 -7.061 244 HB3 GLU 29 HB1 GLU 29 -15.878 3.958 -7.523 245 HG2 GLU 29 HG2 GLU 29 -17.575 3.268 -6.032 246 HG3 GLU 29 HG1 GLU 29 -17.614 4.841 -5.240 247 H CYS 30 HN CYS 30 -14.782 6.972 -5.541 248 HA CYS 30 HA CYS 30 -14.790 7.309 -2.721 249 HB2 CYS 30 HB2 CYS 30 -13.682 8.924 -4.161 250 HB3 CYS 30 HB1 CYS 30 -15.212 9.324 -4.930 251 H VAL 31 HN VAL 31 -16.342 8.086 -1.377 252 HA VAL 31 HA VAL 31 -19.011 7.304 -1.939 253 HB VAL 31 HB VAL 31 -18.111 7.132 0.310 254 HG11 VAL 31 HG11 VAL 31 -16.617 9.042 0.314 255 HG12 VAL 31 HG12 VAL 31 -17.710 9.116 1.693 256 HG13 VAL 31 HG13 VAL 31 -17.993 10.143 0.291 257 HG21 VAL 31 HG21 VAL 31 -20.349 9.153 0.225 258 HG22 VAL 31 HG22 VAL 31 -19.954 8.083 1.571 259 HG23 VAL 31 HG23 VAL 31 -20.534 7.409 0.048 260 H TYR 32 HN TYR 32 -17.331 10.396 -2.069 261 HA TYR 32 HA TYR 32 -19.917 11.638 -2.731 262 HB2 TYR 32 HB2 TYR 32 -17.529 12.824 -1.334 263 HB3 TYR 32 HB1 TYR 32 -18.832 13.809 -1.992 264 HD1 TYR 32 HD2 TYR 32 -21.237 12.384 -1.342 265 HD2 TYR 32 HD1 TYR 32 -17.697 12.815 0.982 266 HE1 TYR 32 HE2 TYR 32 -22.543 12.007 0.701 267 HE2 TYR 32 HE1 TYR 32 -18.998 12.437 3.035 268 HH TYR 32 HH TYR 32 -21.229 12.526 3.849 269 H CYS 33 HN CYS 33 -16.542 11.365 -3.702 270 HA CYS 33 HA CYS 33 -16.906 13.226 -5.879 271 HB2 CYS 33 HB2 CYS 33 -14.618 11.306 -5.385 272 HB3 CYS 33 HB1 CYS 33 -14.615 12.675 -6.489 273 H LYS 34 HN LYS 34 -17.324 9.866 -5.322 274 HA LYS 34 HA LYS 34 -18.054 8.141 -6.600 275 HB2 LYS 34 HB2 LYS 34 -19.202 10.512 -7.828 276 HB3 LYS 34 HB1 LYS 34 -18.934 9.236 -9.008 277 HG2 LYS 34 HG2 LYS 34 -21.155 9.046 -8.134 278 HG3 LYS 34 HG1 LYS 34 -20.193 7.682 -7.559 279 HD2 LYS 34 HD2 LYS 34 -19.809 8.990 -5.441 280 HD3 LYS 34 HD1 LYS 34 -21.009 10.145 -6.026 281 HE2 LYS 34 HE2 LYS 34 -22.124 8.627 -4.570 282 HE3 LYS 34 HE1 LYS 34 -22.621 8.252 -6.217 283 HZ1 LYS 34 HZ1 LYS 34 -20.776 6.742 -4.478 284 HZ2 LYS 34 HZ2 LYS 34 -20.779 6.511 -6.153 285 HZ3 LYS 34 HZ3 LYS 34 -22.181 6.193 -5.249 286 H GLN 35 HN GLN 35 -15.339 9.395 -6.959 287 HA GLN 35 HA GLN 35 -14.682 8.589 -9.680 288 HB2 GLN 35 HB2 GLN 35 -13.794 10.702 -8.409 289 HB3 GLN 35 HB1 GLN 35 -12.672 9.561 -7.681 290 HG2 GLN 35 HG2 GLN 35 -11.438 10.290 -9.449 291 HG3 GLN 35 HG1 GLN 35 -12.223 8.886 -10.169 292 HE21 GLN 35 HE21 GLN 35 -14.821 10.293 -10.325 293 HE22 GLN 35 HE22 GLN 35 -14.668 11.380 -11.658 294 H GLN 36 HN GLN 36 -13.309 6.899 -10.170 295 HA GLN 36 HA GLN 36 -13.326 4.708 -8.357 296 HB2 GLN 36 HB2 GLN 36 -13.240 4.807 -11.001 297 HB3 GLN 36 HB1 GLN 36 -11.505 4.761 -10.721 298 HG2 GLN 36 HG2 GLN 36 -12.111 2.537 -11.034 299 HG3 GLN 36 HG1 GLN 36 -11.958 2.712 -9.285 300 HE21 GLN 36 HE21 GLN 36 -13.787 2.646 -8.004 301 HE22 GLN 36 HE22 GLN 36 -15.310 2.078 -8.592 302 H LEU 37 HN LEU 37 -11.930 4.277 -6.774 303 HA LEU 37 HA LEU 37 -9.563 5.889 -6.456 304 HB2 LEU 37 HB2 LEU 37 -11.135 4.036 -4.820 305 HB3 LEU 37 HB1 LEU 37 -9.408 3.910 -4.554 306 HG LEU 37 HG LEU 37 -9.525 6.504 -4.280 307 HD11 LEU 37 HD11 LEU 37 -11.670 7.219 -3.274 308 HD12 LEU 37 HD12 LEU 37 -12.383 5.689 -3.789 309 HD13 LEU 37 HD13 LEU 37 -11.792 6.836 -4.992 310 HD21 LEU 37 HD21 LEU 37 -10.538 4.537 -2.235 311 HD22 LEU 37 HD22 LEU 37 -10.059 6.193 -1.868 312 HD23 LEU 37 HD23 LEU 37 -8.872 5.049 -2.494 313 H LEU 38 HN LEU 38 -7.665 5.415 -7.304 314 HA LEU 38 HA LEU 38 -7.142 2.961 -8.644 315 HB2 LEU 38 HB2 LEU 38 -5.166 5.082 -7.780 316 HB3 LEU 38 HB1 LEU 38 -4.912 3.862 -9.013 317 HG LEU 38 HG LEU 38 -7.083 5.925 -9.283 318 HD11 LEU 38 HD11 LEU 38 -4.205 6.150 -10.152 319 HD12 LEU 38 HD12 LEU 38 -5.022 7.152 -8.953 320 HD13 LEU 38 HD13 LEU 38 -5.506 7.232 -10.645 321 HD21 LEU 38 HD21 LEU 38 -5.529 4.314 -11.304 322 HD22 LEU 38 HD22 LEU 38 -6.863 5.415 -11.642 323 HD23 LEU 38 HD23 LEU 38 -7.151 3.932 -10.731 324 H ARG 39 HN ARG 39 -5.410 1.450 -8.089 325 HA ARG 39 HA ARG 39 -5.597 0.400 -5.528 326 HB2 ARG 39 HB2 ARG 39 -4.727 -0.797 -7.544 327 HB3 ARG 39 HB1 ARG 39 -3.218 0.082 -7.364 328 HG2 ARG 39 HG2 ARG 39 -3.129 -0.901 -5.012 329 HG3 ARG 39 HG1 ARG 39 -4.395 -2.001 -5.562 330 HD2 ARG 39 HD2 ARG 39 -1.769 -1.651 -6.996 331 HD3 ARG 39 HD1 ARG 39 -2.026 -2.865 -5.744 332 HE ARG 39 HE ARG 39 -4.035 -3.112 -7.696 333 HH11 ARG 39 HH11 ARG 39 -0.588 -3.629 -7.292 334 HH12 ARG 39 HH12 ARG 39 -0.521 -4.917 -8.455 335 HH21 ARG 39 HH21 ARG 39 -3.943 -4.814 -9.210 336 HH22 ARG 39 HH22 ARG 39 -2.422 -5.573 -9.562 337 H ARG 40 HN ARG 40 -3.535 2.902 -6.737 338 HA ARG 40 HA ARG 40 -1.549 2.936 -4.751 339 HB2 ARG 40 HB2 ARG 40 -1.517 4.204 -6.928 340 HB3 ARG 40 HB1 ARG 40 -2.684 5.317 -6.231 341 HG2 ARG 40 HG2 ARG 40 -0.979 5.717 -4.397 342 HG3 ARG 40 HG1 ARG 40 0.171 4.871 -5.433 343 HD2 ARG 40 HD2 ARG 40 0.393 7.230 -5.818 344 HD3 ARG 40 HD1 ARG 40 -0.349 6.497 -7.239 345 HE ARG 40 HE ARG 40 -2.279 7.513 -5.359 346 HH11 ARG 40 HH11 ARG 40 -0.173 8.376 -8.041 347 HH12 ARG 40 HH12 ARG 40 -1.123 9.754 -8.502 348 HH21 ARG 40 HH21 ARG 40 -3.532 9.326 -5.980 349 HH22 ARG 40 HH22 ARG 40 -3.018 10.295 -7.334 350 H GLU 41 HN GLU 41 -4.702 4.532 -4.965 351 HA GLU 41 HA GLU 41 -4.409 5.880 -2.449 352 HB2 GLU 41 HB2 GLU 41 -7.058 5.460 -3.791 353 HB3 GLU 41 HB1 GLU 41 -6.493 6.843 -2.866 354 HG2 GLU 41 HG2 GLU 41 -5.557 6.078 -5.626 355 HG3 GLU 41 HG1 GLU 41 -6.717 7.347 -5.247 356 H VAL 42 HN VAL 42 -5.807 2.880 -3.580 357 HA VAL 42 HA VAL 42 -7.331 2.263 -1.284 358 HB VAL 42 HB VAL 42 -5.999 0.315 -3.182 359 HG11 VAL 42 HG11 VAL 42 -6.784 -0.712 -1.097 360 HG12 VAL 42 HG12 VAL 42 -7.737 -1.242 -2.484 361 HG13 VAL 42 HG13 VAL 42 -8.389 -0.035 -1.374 362 HG21 VAL 42 HG21 VAL 42 -7.391 1.891 -4.402 363 HG22 VAL 42 HG22 VAL 42 -8.736 1.579 -3.303 364 HG23 VAL 42 HG23 VAL 42 -8.150 0.299 -4.366 365 H TYR 43 HN TYR 43 -3.961 1.797 -2.143 366 HA TYR 43 HA TYR 43 -3.237 0.169 0.055 367 HB2 TYR 43 HB2 TYR 43 -1.713 1.928 -1.839 368 HB3 TYR 43 HB1 TYR 43 -0.902 1.242 -0.437 369 HD1 TYR 43 HD2 TYR 43 -3.207 -1.183 -1.167 370 HD2 TYR 43 HD1 TYR 43 0.309 0.554 -2.812 371 HE1 TYR 43 HE2 TYR 43 -2.777 -3.253 -2.413 372 HE2 TYR 43 HE1 TYR 43 0.749 -1.511 -4.063 373 HH TYR 43 HH TYR 43 0.168 -3.963 -3.824 374 H ASP 44 HN ASP 44 -3.412 3.639 -0.430 375 HA ASP 44 HA ASP 44 -2.154 4.440 1.961 376 HB2 ASP 44 HB2 ASP 44 -3.440 5.695 -0.225 377 HB3 ASP 44 HB1 ASP 44 -4.259 6.261 1.226 378 H PHE 45 HN PHE 45 -5.405 3.453 1.179 379 HA PHE 45 HA PHE 45 -6.624 4.234 3.626 380 HB2 PHE 45 HB2 PHE 45 -7.716 3.670 1.345 381 HB3 PHE 45 HB1 PHE 45 -7.600 1.994 1.863 382 HD1 PHE 45 HD2 PHE 45 -8.841 1.245 3.884 383 HD2 PHE 45 HD1 PHE 45 -9.383 5.112 2.188 384 HE1 PHE 45 HE2 PHE 45 -10.964 1.482 5.104 385 HE2 PHE 45 HE1 PHE 45 -11.504 5.351 3.406 386 HZ PHE 45 HZ PHE 45 -12.296 3.538 4.865 387 H ALA 46 HN ALA 46 -5.057 1.302 2.465 388 HA ALA 46 HA ALA 46 -5.741 -0.233 4.812 389 HB1 ALA 46 HB1 ALA 46 -5.430 -1.213 2.520 390 HB2 ALA 46 HB2 ALA 46 -4.537 -2.021 3.805 391 HB3 ALA 46 HB3 ALA 46 -3.699 -0.926 2.707 392 H PHE 47 HN PHE 47 -3.238 1.893 3.856 393 HA PHE 47 HA PHE 47 -1.126 0.942 5.466 394 HB2 PHE 47 HB2 PHE 47 -1.065 2.645 3.534 395 HB3 PHE 47 HB1 PHE 47 -1.560 3.832 4.734 396 HD1 PHE 47 HD1 PHE 47 1.096 1.397 3.893 397 HD2 PHE 47 HD2 PHE 47 0.005 4.830 6.154 398 HE1 PHE 47 HE1 PHE 47 3.453 1.725 4.525 399 HE2 PHE 47 HE2 PHE 47 2.356 5.164 6.793 400 HZ PHE 47 HZ PHE 47 4.082 3.611 5.977 401 H ARG 48 HN ARG 48 -3.970 2.774 6.140 402 HA ARG 48 HA ARG 48 -3.074 3.130 8.924 403 HB2 ARG 48 HB2 ARG 48 -4.833 4.975 7.297 404 HB3 ARG 48 HB1 ARG 48 -4.516 5.152 9.018 405 HG2 ARG 48 HG2 ARG 48 -2.202 5.591 8.615 406 HG3 ARG 48 HG1 ARG 48 -2.380 5.209 6.899 407 HD2 ARG 48 HD2 ARG 48 -4.034 7.098 6.764 408 HD3 ARG 48 HD1 ARG 48 -3.554 7.539 8.403 409 HE ARG 48 HE ARG 48 -1.512 8.283 7.597 410 HH11 ARG 48 HH11 ARG 48 -3.347 6.742 5.043 411 HH12 ARG 48 HH12 ARG 48 -2.339 7.355 3.763 412 HH21 ARG 48 HH21 ARG 48 -0.176 9.083 5.929 413 HH22 ARG 48 HH22 ARG 48 -0.536 8.691 4.274 414 H ASP 49 HN ASP 49 -5.083 3.488 10.373 415 HA ASP 49 HA ASP 49 -6.974 1.356 9.703 416 HB2 ASP 49 HB2 ASP 49 -5.657 1.357 11.900 417 HB3 ASP 49 HB1 ASP 49 -6.688 2.699 12.391 418 H LEU 50 HN LEU 50 -8.344 2.460 8.339 419 HA LEU 50 HA LEU 50 -9.920 4.607 9.595 420 HB2 LEU 50 HB2 LEU 50 -8.432 5.230 7.605 421 HB3 LEU 50 HB1 LEU 50 -9.528 4.275 6.626 422 HG LEU 50 HG LEU 50 -11.395 5.768 7.332 423 HD11 LEU 50 HD11 LEU 50 -10.791 7.942 8.345 424 HD12 LEU 50 HD12 LEU 50 -9.162 7.327 8.623 425 HD13 LEU 50 HD13 LEU 50 -10.538 6.576 9.431 426 HD21 LEU 50 HD21 LEU 50 -9.026 7.083 6.008 427 HD22 LEU 50 HD22 LEU 50 -10.680 7.695 5.966 428 HD23 LEU 50 HD23 LEU 50 -10.294 6.147 5.215 429 H CYS 51 HN CYS 51 -12.171 4.631 9.123 430 HA CYS 51 HA CYS 51 -13.240 1.959 8.702 431 HB2 CYS 51 HB2 CYS 51 -15.048 4.260 9.197 432 HB3 CYS 51 HB1 CYS 51 -15.077 2.640 9.882 433 HG CYS 51 HG CYS 51 -12.978 3.139 11.684 434 H ILE 52 HN ILE 52 -14.530 1.351 7.022 435 HA ILE 52 HA ILE 52 -14.489 3.012 4.669 436 HB ILE 52 HB ILE 52 -15.664 0.273 5.165 437 HG12 ILE 52 HG12 ILE 52 -13.193 1.248 3.725 438 HG13 ILE 52 HG11 ILE 52 -13.259 0.233 5.164 439 HG21 ILE 52 HG21 ILE 52 -15.508 1.820 2.583 440 HG22 ILE 52 HG22 ILE 52 -16.975 1.385 3.460 441 HG23 ILE 52 HG23 ILE 52 -15.977 0.127 2.733 442 HD11 ILE 52 HD11 ILE 52 -13.948 -1.633 3.954 443 HD12 ILE 52 HD12 ILE 52 -12.734 -0.872 2.925 444 HD13 ILE 52 HD13 ILE 52 -14.446 -0.665 2.569 445 H VAL 53 HN VAL 53 -16.132 4.198 3.862 446 HA VAL 53 HA VAL 53 -18.517 4.427 5.521 447 HB VAL 53 HB VAL 53 -18.968 6.438 3.967 448 HG11 VAL 53 HG11 VAL 53 -17.499 7.870 5.298 449 HG12 VAL 53 HG12 VAL 53 -16.568 6.458 5.800 450 HG13 VAL 53 HG13 VAL 53 -18.250 6.628 6.298 451 HG21 VAL 53 HG21 VAL 53 -16.036 6.002 3.376 452 HG22 VAL 53 HG22 VAL 53 -16.997 7.402 2.896 453 HG23 VAL 53 HG23 VAL 53 -17.355 5.813 2.221 454 H TYR 54 HN TYR 54 -20.203 3.235 4.999 455 HA TYR 54 HA TYR 54 -20.602 2.456 2.200 456 HB2 TYR 54 HB2 TYR 54 -21.928 1.399 4.709 457 HB3 TYR 54 HB1 TYR 54 -22.135 0.757 3.084 458 HD1 TYR 54 HD1 TYR 54 -19.880 0.997 5.965 459 HD2 TYR 54 HD2 TYR 54 -20.400 -0.598 2.055 460 HE1 TYR 54 HE1 TYR 54 -17.969 -0.507 6.331 461 HE2 TYR 54 HE2 TYR 54 -18.490 -2.105 2.413 462 HH TYR 54 HH TYR 54 -16.405 -2.120 3.867 463 H ARG 55 HN ARG 55 -21.842 3.851 1.119 464 HA ARG 55 HA ARG 55 -24.020 5.202 2.542 465 HB2 ARG 55 HB2 ARG 55 -22.142 6.214 0.826 466 HB3 ARG 55 HB1 ARG 55 -23.507 5.962 -0.253 467 HG2 ARG 55 HG2 ARG 55 -23.723 7.474 2.334 468 HG3 ARG 55 HG1 ARG 55 -23.332 8.240 0.794 469 HD2 ARG 55 HD2 ARG 55 -25.437 7.970 -0.029 470 HD3 ARG 55 HD1 ARG 55 -25.716 6.481 0.869 471 HE ARG 55 HE ARG 55 -25.609 8.976 2.379 472 HH11 ARG 55 HH11 ARG 55 -27.573 6.471 0.923 473 HH12 ARG 55 HH12 ARG 55 -28.939 6.764 1.947 474 HH21 ARG 55 HH21 ARG 55 -27.410 9.391 3.713 475 HH22 ARG 55 HH22 ARG 55 -28.849 8.438 3.538 476 H ASP 56 HN ASP 56 -26.014 4.589 2.291 477 HA ASP 56 HA ASP 56 -27.943 3.737 1.472 478 HB2 ASP 56 HB2 ASP 56 -26.860 4.776 -0.750 479 HB3 ASP 56 HB1 ASP 56 -26.851 3.076 -1.210 480 H GLY 57 HN GLY 57 -25.343 1.939 -0.146 481 HA2 GLY 57 HA2 GLY 57 -25.471 -0.342 1.473 482 HA3 GLY 57 HA1 GLY 57 -26.551 -0.596 0.108 483 H ASN 58 HN ASN 58 -23.876 1.437 -0.478 484 HA ASN 58 HA ASN 58 -22.509 -0.762 -1.884 485 HB2 ASN 58 HB2 ASN 58 -23.663 1.439 -3.042 486 HB3 ASN 58 HB1 ASN 58 -22.010 1.992 -2.813 487 HD21 ASN 58 HD21 ASN 58 -23.074 1.732 -5.305 488 HD22 ASN 58 HD22 ASN 58 -22.287 0.439 -6.140 489 HA PRO 59 HA PRO 59 -19.086 0.251 0.800 490 HB2 PRO 59 HB2 PRO 59 -17.152 -1.080 -0.608 491 HB3 PRO 59 HB1 PRO 59 -18.306 -1.889 0.467 492 HG2 PRO 59 HG2 PRO 59 -18.358 -1.629 -2.495 493 HG3 PRO 59 HG1 PRO 59 -18.751 -3.029 -1.476 494 HD2 PRO 59 HD2 PRO 59 -20.663 -1.479 -2.561 495 HD3 PRO 59 HD1 PRO 59 -20.855 -2.248 -0.972 496 H TYR 60 HN TYR 60 -18.297 2.272 0.758 497 HA TYR 60 HA TYR 60 -16.934 3.159 -1.698 498 HB2 TYR 60 HB2 TYR 60 -18.522 4.820 0.263 499 HB3 TYR 60 HB1 TYR 60 -17.557 5.478 -1.053 500 HD1 TYR 60 HD1 TYR 60 -18.150 4.012 -3.372 501 HD2 TYR 60 HD2 TYR 60 -20.769 4.966 -0.161 502 HE1 TYR 60 HE1 TYR 60 -20.070 3.843 -4.899 503 HE2 TYR 60 HE2 TYR 60 -22.691 4.794 -1.678 504 HH TYR 60 HH TYR 60 -22.379 3.641 -4.951 505 H ALA 61 HN ALA 61 -15.044 4.362 -1.449 506 HA ALA 61 HA ALA 61 -13.851 4.143 1.234 507 HB1 ALA 61 HB1 ALA 61 -12.512 4.078 -1.468 508 HB2 ALA 61 HB2 ALA 61 -12.689 2.731 -0.342 509 HB3 ALA 61 HB3 ALA 61 -11.663 4.103 0.078 510 H VAL 62 HN VAL 62 -12.043 5.803 1.526 511 HA VAL 62 HA VAL 62 -13.134 8.413 0.776 512 HB VAL 62 HB VAL 62 -11.011 7.804 2.843 513 HG11 VAL 62 HG11 VAL 62 -11.601 10.035 3.708 514 HG12 VAL 62 HG12 VAL 62 -12.710 10.249 2.353 515 HG13 VAL 62 HG13 VAL 62 -10.976 10.100 2.058 516 HG21 VAL 62 HG21 VAL 62 -13.967 8.233 3.273 517 HG22 VAL 62 HG22 VAL 62 -12.754 7.977 4.526 518 HG23 VAL 62 HG23 VAL 62 -13.137 6.685 3.390 519 H CYS 63 HN CYS 63 -12.233 9.319 -0.973 520 HA CYS 63 HA CYS 63 -9.787 8.427 -2.089 521 HB2 CYS 63 HB2 CYS 63 -10.095 10.308 -3.680 522 HB3 CYS 63 HB1 CYS 63 -11.528 9.300 -3.525 523 H ASP 64 HN ASP 64 -8.044 9.964 -2.690 524 HA ASP 64 HA ASP 64 -6.715 10.941 -0.441 525 HB2 ASP 64 HB2 ASP 64 -5.267 10.436 -2.151 526 HB3 ASP 64 HB1 ASP 64 -6.344 11.060 -3.391 527 H LYS 65 HN LYS 65 -9.022 12.397 -2.562 528 HA LYS 65 HA LYS 65 -8.444 15.121 -1.887 529 HB2 LYS 65 HB2 LYS 65 -11.025 14.015 -2.983 530 HB3 LYS 65 HB1 LYS 65 -10.440 15.667 -3.092 531 HG2 LYS 65 HG2 LYS 65 -8.850 15.126 -4.707 532 HG3 LYS 65 HG1 LYS 65 -8.934 13.399 -4.334 533 HD2 LYS 65 HD2 LYS 65 -10.085 14.153 -6.471 534 HD3 LYS 65 HD1 LYS 65 -11.047 13.176 -5.357 535 HE2 LYS 65 HE2 LYS 65 -11.906 15.378 -4.414 536 HE3 LYS 65 HE1 LYS 65 -11.178 16.146 -5.822 537 HZ1 LYS 65 HZ1 LYS 65 -13.363 14.149 -5.762 538 HZ2 LYS 65 HZ2 LYS 65 -12.541 14.564 -7.184 539 HZ3 LYS 65 HZ3 LYS 65 -13.420 15.738 -6.344 540 H CYS 66 HN CYS 66 -11.194 12.971 -1.140 541 HA CYS 66 HA CYS 66 -12.397 14.656 0.737 542 HB2 CYS 66 HB2 CYS 66 -12.519 11.649 0.439 543 HB3 CYS 66 HB1 CYS 66 -13.564 12.573 1.513 544 H LEU 67 HN LEU 67 -9.840 12.287 1.072 545 HA LEU 67 HA LEU 67 -9.783 12.041 3.854 546 HB2 LEU 67 HB2 LEU 67 -8.091 11.363 1.640 547 HB3 LEU 67 HB1 LEU 67 -7.113 12.028 2.933 548 HG LEU 67 HG LEU 67 -9.080 9.802 3.405 549 HD11 LEU 67 HD11 LEU 67 -7.146 8.269 3.268 550 HD12 LEU 67 HD12 LEU 67 -6.166 9.601 2.648 551 HD13 LEU 67 HD13 LEU 67 -7.545 9.012 1.718 552 HD21 LEU 67 HD21 LEU 67 -8.314 11.053 5.364 553 HD22 LEU 67 HD22 LEU 67 -6.639 10.734 4.913 554 HD23 LEU 67 HD23 LEU 67 -7.699 9.401 5.374 555 H LYS 68 HN LYS 68 -8.252 14.406 1.730 556 HA LYS 68 HA LYS 68 -7.015 15.814 3.918 557 HB2 LYS 68 HB2 LYS 68 -6.019 15.660 1.632 558 HB3 LYS 68 HB1 LYS 68 -7.321 16.681 1.039 559 HG2 LYS 68 HG2 LYS 68 -5.942 17.832 3.326 560 HG3 LYS 68 HG1 LYS 68 -4.875 17.536 1.954 561 HD2 LYS 68 HD2 LYS 68 -6.333 18.816 0.500 562 HD3 LYS 68 HD1 LYS 68 -7.488 19.036 1.816 563 HE2 LYS 68 HE2 LYS 68 -4.745 19.886 2.425 564 HE3 LYS 68 HE1 LYS 68 -5.537 20.808 1.148 565 HZ1 LYS 68 HZ1 LYS 68 -6.653 20.350 3.866 566 HZ2 LYS 68 HZ2 LYS 68 -7.365 21.273 2.642 567 HZ3 LYS 68 HZ3 LYS 68 -5.910 21.774 3.343 568 H PHE 69 HN PHE 69 -10.005 16.010 2.153 569 HA PHE 69 HA PHE 69 -10.572 18.736 2.836 570 HB2 PHE 69 HB2 PHE 69 -12.384 16.543 1.820 571 HB3 PHE 69 HB1 PHE 69 -12.869 18.222 2.015 572 HD1 PHE 69 HD1 PHE 69 -9.769 18.842 1.032 573 HD2 PHE 69 HD2 PHE 69 -13.239 16.946 -0.537 574 HE1 PHE 69 HE1 PHE 69 -8.990 19.318 -1.248 575 HE2 PHE 69 HE2 PHE 69 -12.465 17.419 -2.828 576 HZ PHE 69 HZ PHE 69 -10.337 18.605 -3.179 577 H TYR 70 HN TYR 70 -11.859 15.614 3.989 578 HA TYR 70 HA TYR 70 -13.263 17.005 6.129 579 HB2 TYR 70 HB2 TYR 70 -13.182 14.053 5.462 580 HB3 TYR 70 HB1 TYR 70 -14.238 14.814 6.645 581 HD1 TYR 70 HD2 TYR 70 -16.089 16.268 5.895 582 HD2 TYR 70 HD1 TYR 70 -13.682 14.126 3.128 583 HE1 TYR 70 HE2 TYR 70 -17.790 16.623 4.155 584 HE2 TYR 70 HE1 TYR 70 -15.373 14.470 1.379 585 HH TYR 70 HH TYR 70 -17.501 15.104 0.981 586 H MET 1 HT1 MET 1 25.062 6.221 -2.547 587 HA MET 1 HA MET 1 25.736 4.753 -0.791 588 HB2 MET 1 HB2 MET 1 27.679 5.897 -0.094 589 HB3 MET 1 HB1 MET 1 27.260 6.631 -1.634 590 HG2 MET 1 HG2 MET 1 26.271 8.529 -0.482 591 HG3 MET 1 HG1 MET 1 26.620 7.782 1.073 592 HE1 MET 1 HE1 MET 1 30.493 7.942 1.279 593 HE2 MET 1 HE2 MET 1 29.430 6.596 0.870 594 HE3 MET 1 HE3 MET 1 29.003 7.690 2.186 595 H PHE 2 HN PHE 2 26.032 4.358 1.466 596 HA PHE 2 HA PHE 2 24.724 6.076 3.374 597 HB2 PHE 2 HB2 PHE 2 23.116 4.232 2.125 598 HB3 PHE 2 HB1 PHE 2 23.641 3.348 3.553 599 HD1 PHE 2 HD1 PHE 2 23.060 6.997 3.323 600 HD2 PHE 2 HD2 PHE 2 21.628 3.256 4.752 601 HE1 PHE 2 HE1 PHE 2 21.360 8.165 4.658 602 HE2 PHE 2 HE2 PHE 2 19.922 4.418 6.090 603 HZ PHE 2 HZ PHE 2 19.786 6.877 6.047 604 H GLN 3 HN GLN 3 26.037 6.073 5.062 605 HA GLN 3 HA GLN 3 27.061 3.582 6.116 606 HB2 GLN 3 HB2 GLN 3 29.389 4.912 6.255 607 HB3 GLN 3 HB1 GLN 3 28.993 3.819 4.939 608 HG2 GLN 3 HG2 GLN 3 29.934 5.814 4.025 609 HG3 GLN 3 HG1 GLN 3 28.222 5.767 3.617 610 HE21 GLN 3 HE21 GLN 3 30.641 7.257 5.636 611 HE22 GLN 3 HE22 GLN 3 29.725 8.666 6.031 612 H ASP 4 HN ASP 4 28.902 4.638 7.898 613 HA ASP 4 HA ASP 4 27.501 5.258 10.130 614 HB2 ASP 4 HB2 ASP 4 29.838 4.699 10.234 615 HB3 ASP 4 HB1 ASP 4 30.281 6.156 9.356 616 HA PRO 5 HA PRO 5 27.300 6.308 11.996 617 HB2 PRO 5 HB2 PRO 5 24.952 7.783 12.829 618 HB3 PRO 5 HB1 PRO 5 26.566 7.776 13.555 619 HG2 PRO 5 HG2 PRO 5 25.489 9.935 12.316 620 HG3 PRO 5 HG1 PRO 5 27.233 9.627 12.431 621 HD2 PRO 5 HD2 PRO 5 25.376 9.129 10.140 622 HD3 PRO 5 HD1 PRO 5 27.027 9.788 10.131 623 H GLN 6 HN GLN 6 25.290 6.551 9.365 624 HA GLN 6 HA GLN 6 23.038 5.087 10.358 625 HB2 GLN 6 HB2 GLN 6 23.999 5.770 7.583 626 HB3 GLN 6 HB1 GLN 6 22.592 4.752 7.858 627 HG2 GLN 6 HG2 GLN 6 21.719 6.881 7.523 628 HG3 GLN 6 HG1 GLN 6 21.681 6.662 9.270 629 HE21 GLN 6 HE21 GLN 6 24.576 7.395 7.414 630 HE22 GLN 6 HE22 GLN 6 24.795 8.991 8.045 631 H GLU 7 HN GLU 7 23.030 3.010 10.847 632 HA GLU 7 HA GLU 7 25.260 1.336 10.080 633 HB2 GLU 7 HB2 GLU 7 24.314 1.299 12.380 634 HB3 GLU 7 HB1 GLU 7 22.824 0.631 11.726 635 HG2 GLU 7 HG2 GLU 7 24.196 -1.114 12.683 636 HG3 GLU 7 HG1 GLU 7 24.037 -1.326 10.942 637 H ARG 8 HN ARG 8 22.094 1.963 8.973 638 HA ARG 8 HA ARG 8 20.932 1.200 7.172 639 HB2 ARG 8 HB2 ARG 8 23.291 -0.599 6.596 640 HB3 ARG 8 HB1 ARG 8 21.987 -0.199 5.488 641 HG2 ARG 8 HG2 ARG 8 22.931 1.734 4.891 642 HG3 ARG 8 HG1 ARG 8 23.394 2.132 6.548 643 HD2 ARG 8 HD2 ARG 8 24.818 0.167 4.758 644 HD3 ARG 8 HD1 ARG 8 25.341 1.821 5.074 645 HE ARG 8 HE ARG 8 24.997 0.092 7.396 646 HH11 ARG 8 HH11 ARG 8 27.186 1.509 5.064 647 HH12 ARG 8 HH12 ARG 8 28.594 1.281 6.053 648 HH21 ARG 8 HH21 ARG 8 26.855 -0.180 8.731 649 HH22 ARG 8 HH22 ARG 8 28.409 0.328 8.130 650 HA PRO 9 HA PRO 9 19.459 -2.410 9.509 651 HB2 PRO 9 HB2 PRO 9 16.845 -1.724 9.421 652 HB3 PRO 9 HB1 PRO 9 17.973 -0.997 10.583 653 HG2 PRO 9 HG2 PRO 9 16.923 0.110 8.031 654 HG3 PRO 9 HG1 PRO 9 17.192 0.916 9.590 655 HD2 PRO 9 HD2 PRO 9 18.909 1.092 7.470 656 HD3 PRO 9 HD1 PRO 9 19.398 1.286 9.163 657 H ARG 10 HN ARG 10 17.452 -3.861 8.914 658 HA ARG 10 HA ARG 10 17.632 -4.360 6.021 659 HB2 ARG 10 HB2 ARG 10 17.368 -6.136 8.396 660 HB3 ARG 10 HB1 ARG 10 16.624 -6.662 6.893 661 HG2 ARG 10 HG2 ARG 10 18.794 -7.619 6.983 662 HG3 ARG 10 HG1 ARG 10 18.840 -6.334 5.774 663 HD2 ARG 10 HD2 ARG 10 19.646 -4.859 7.759 664 HD3 ARG 10 HD1 ARG 10 20.039 -6.401 8.517 665 HE ARG 10 HE ARG 10 21.104 -6.297 5.896 666 HH11 ARG 10 HH11 ARG 10 21.602 -5.031 9.124 667 HH12 ARG 10 HH12 ARG 10 23.300 -4.767 8.900 668 HH21 ARG 10 HH21 ARG 10 23.336 -5.946 5.588 669 HH22 ARG 10 HH22 ARG 10 24.292 -5.292 6.880 670 H LYS 11 HN LYS 11 15.588 -3.049 8.249 671 HA LYS 11 HA LYS 11 13.217 -3.815 6.692 672 HB2 LYS 11 HB2 LYS 11 13.586 -3.314 9.608 673 HB3 LYS 11 HB1 LYS 11 12.056 -2.844 8.879 674 HG2 LYS 11 HG2 LYS 11 13.255 -5.604 8.743 675 HG3 LYS 11 HG1 LYS 11 12.001 -5.095 9.876 676 HD2 LYS 11 HD2 LYS 11 10.508 -4.593 7.998 677 HD3 LYS 11 HD1 LYS 11 11.764 -5.085 6.859 678 HE2 LYS 11 HE2 LYS 11 11.720 -7.344 7.774 679 HE3 LYS 11 HE1 LYS 11 10.494 -6.855 8.943 680 HZ1 LYS 11 HZ1 LYS 11 9.011 -6.352 7.072 681 HZ2 LYS 11 HZ2 LYS 11 9.465 -7.980 7.099 682 HZ3 LYS 11 HZ3 LYS 11 10.181 -6.919 5.986 683 H LEU 12 HN LEU 12 11.881 -2.264 5.930 684 HA LEU 12 HA LEU 12 12.981 0.170 5.173 685 HB2 LEU 12 HB2 LEU 12 11.046 -1.176 4.158 686 HB3 LEU 12 HB1 LEU 12 10.025 -0.308 5.287 687 HG LEU 12 HG LEU 12 10.836 1.832 4.284 688 HD11 LEU 12 HD11 LEU 12 12.124 -0.044 2.309 689 HD12 LEU 12 HD12 LEU 12 12.933 1.125 3.354 690 HD13 LEU 12 HD13 LEU 12 11.891 1.682 2.045 691 HD21 LEU 12 HD21 LEU 12 9.461 1.666 2.290 692 HD22 LEU 12 HD22 LEU 12 8.705 0.807 3.632 693 HD23 LEU 12 HD23 LEU 12 9.534 -0.094 2.362 694 HA PRO 13 HA PRO 13 9.861 2.205 8.540 695 HB2 PRO 13 HB2 PRO 13 10.338 0.655 10.881 696 HB3 PRO 13 HB1 PRO 13 8.814 0.832 10.000 697 HG2 PRO 13 HG2 PRO 13 10.820 -1.329 9.863 698 HG3 PRO 13 HG1 PRO 13 9.063 -1.389 9.621 699 HD2 PRO 13 HD2 PRO 13 10.731 -1.567 7.552 700 HD3 PRO 13 HD1 PRO 13 9.206 -0.661 7.426 701 H GLN 14 HN GLN 14 12.712 0.414 9.799 702 HA GLN 14 HA GLN 14 13.626 2.692 11.268 703 HB2 GLN 14 HB2 GLN 14 14.081 0.259 11.833 704 HB3 GLN 14 HB1 GLN 14 15.278 0.281 10.544 705 HG2 GLN 14 HG2 GLN 14 16.309 2.265 11.753 706 HG3 GLN 14 HG1 GLN 14 15.278 1.825 13.114 707 HE21 GLN 14 HE21 GLN 14 15.471 -1.033 12.549 708 HE22 GLN 14 HE22 GLN 14 17.054 -1.508 13.060 709 H LEU 15 HN LEU 15 14.234 1.408 8.082 710 HA LEU 15 HA LEU 15 16.647 2.752 7.531 711 HB2 LEU 15 HB2 LEU 15 15.669 0.907 6.152 712 HB3 LEU 15 HB1 LEU 15 14.466 2.040 5.563 713 HG LEU 15 HG LEU 15 16.304 3.414 4.600 714 HD11 LEU 15 HD11 LEU 15 18.127 2.722 6.033 715 HD12 LEU 15 HD12 LEU 15 18.517 2.377 4.348 716 HD13 LEU 15 HD13 LEU 15 18.013 1.073 5.422 717 HD21 LEU 15 HD21 LEU 15 16.776 1.888 2.733 718 HD22 LEU 15 HD22 LEU 15 15.077 1.860 3.209 719 HD23 LEU 15 HD23 LEU 15 16.148 0.547 3.692 720 H CYS 16 HN CYS 16 13.296 3.721 7.400 721 HA CYS 16 HA CYS 16 13.637 6.152 6.008 722 HB2 CYS 16 HB2 CYS 16 11.524 5.471 8.063 723 HB3 CYS 16 HB1 CYS 16 11.421 6.715 6.822 724 HG CYS 16 HG CYS 16 11.692 3.385 6.067 725 H THR 17 HN THR 17 13.807 5.273 9.420 726 HA THR 17 HA THR 17 13.993 7.893 10.457 727 HB THR 17 HB THR 17 15.408 5.701 11.875 728 HG1 THR 17 HG1 THR 17 12.571 5.689 11.745 729 HG21 THR 17 HG21 THR 17 13.305 7.731 12.647 730 HG22 THR 17 HG22 THR 17 15.035 7.835 12.971 731 HG23 THR 17 HG23 THR 17 14.065 6.593 13.761 732 H GLU 18 HN GLU 18 16.382 5.581 9.298 733 HA GLU 18 HA GLU 18 18.707 6.934 10.121 734 HB2 GLU 18 HB2 GLU 18 18.247 5.096 7.762 735 HB3 GLU 18 HB1 GLU 18 19.831 5.624 8.313 736 HG2 GLU 18 HG2 GLU 18 18.030 4.313 10.276 737 HG3 GLU 18 HG1 GLU 18 18.791 3.315 9.040 738 H LEU 19 HN LEU 19 16.659 7.246 7.297 739 HA LEU 19 HA LEU 19 18.391 9.238 6.080 740 HB2 LEU 19 HB2 LEU 19 15.915 7.777 5.278 741 HB3 LEU 19 HB1 LEU 19 16.271 9.301 4.492 742 HG LEU 19 HG LEU 19 18.267 7.054 4.577 743 HD11 LEU 19 HD11 LEU 19 16.182 7.596 2.468 744 HD12 LEU 19 HD12 LEU 19 16.238 6.198 3.543 745 HD13 LEU 19 HD13 LEU 19 17.503 6.436 2.338 746 HD21 LEU 19 HD21 LEU 19 19.119 9.284 4.038 747 HD22 LEU 19 HD22 LEU 19 17.922 9.429 2.750 748 HD23 LEU 19 HD23 LEU 19 19.195 8.211 2.639 749 H GLN 20 HN GLN 20 16.248 9.257 8.533 750 HA GLN 20 HA GLN 20 14.967 10.790 9.604 751 HB2 GLN 20 HB2 GLN 20 16.930 12.496 8.116 752 HB3 GLN 20 HB1 GLN 20 15.641 13.256 9.040 753 HG2 GLN 20 HG2 GLN 20 17.701 11.345 10.125 754 HG3 GLN 20 HG1 GLN 20 17.706 13.097 10.322 755 HE21 GLN 20 HE21 GLN 20 16.258 10.104 11.305 756 HE22 GLN 20 HE22 GLN 20 15.358 10.746 12.638 757 H THR 21 HN THR 21 13.762 9.663 7.395 758 HA THR 21 HA THR 21 12.013 11.856 6.552 759 HB THR 21 HB THR 21 13.696 11.274 4.739 760 HG1 THR 21 HG1 THR 21 11.992 11.269 3.112 761 HG21 THR 21 HG21 THR 21 13.677 8.829 5.062 762 HG22 THR 21 HG22 THR 21 13.285 9.280 3.403 763 HG23 THR 21 HG23 THR 21 12.003 8.782 4.508 764 H THR 22 HN THR 22 10.074 10.742 5.266 765 HA THR 22 HA THR 22 9.023 8.739 7.122 766 HB THR 22 HB THR 22 6.813 9.342 6.060 767 HG1 THR 22 HG1 THR 22 8.082 11.662 5.069 768 HG21 THR 22 HG21 THR 22 6.616 11.496 7.234 769 HG22 THR 22 HG22 THR 22 8.372 11.576 7.361 770 HG23 THR 22 HG23 THR 22 7.487 10.303 8.197 771 H ILE 23 HN ILE 23 7.466 7.141 6.113 772 HA ILE 23 HA ILE 23 8.847 5.669 4.082 773 HB ILE 23 HB ILE 23 6.062 4.990 4.968 774 HG12 ILE 23 HG12 ILE 23 8.577 4.512 6.588 775 HG13 ILE 23 HG11 ILE 23 7.272 5.608 7.025 776 HG21 ILE 23 HG21 ILE 23 6.848 2.711 4.727 777 HG22 ILE 23 HG22 ILE 23 8.482 3.284 4.393 778 HG23 ILE 23 HG23 ILE 23 7.176 3.625 3.257 779 HD11 ILE 23 HD11 ILE 23 6.985 2.628 6.724 780 HD12 ILE 23 HD12 ILE 23 5.753 3.758 7.285 781 HD13 ILE 23 HD13 ILE 23 7.202 3.482 8.251 782 H HIS 24 HN HIS 24 6.967 8.305 3.838 783 HA HIS 24 HA HIS 24 5.576 7.454 1.400 784 HB2 HIS 24 HB2 HIS 24 5.301 10.090 2.860 785 HB3 HIS 24 HB1 HIS 24 4.241 9.451 1.610 786 HD1 HIS 24 HD1 HIS 24 2.414 7.782 2.354 787 HD2 HIS 24 HD2 HIS 24 4.982 8.955 5.406 788 HE1 HIS 24 HE1 HIS 24 1.399 6.936 4.506 789 H ASP 25 HN ASP 25 8.435 8.838 2.359 790 HA ASP 25 HA ASP 25 8.686 10.384 -0.135 791 HB2 ASP 25 HB2 ASP 25 8.987 11.888 1.670 792 HB3 ASP 25 HB1 ASP 25 9.986 10.744 2.560 793 H ILE 26 HN ILE 26 10.086 7.864 1.842 794 HA ILE 26 HA ILE 26 12.575 7.706 0.535 795 HB ILE 26 HB ILE 26 12.280 6.655 2.689 796 HG12 ILE 26 HG12 ILE 26 12.739 4.437 0.696 797 HG13 ILE 26 HG11 ILE 26 13.910 5.722 0.974 798 HG21 ILE 26 HG21 ILE 26 10.916 4.711 3.064 799 HG22 ILE 26 HG22 ILE 26 10.448 4.662 1.366 800 HG23 ILE 26 HG23 ILE 26 9.911 5.995 2.386 801 HD11 ILE 26 HD11 ILE 26 14.490 3.738 2.230 802 HD12 ILE 26 HD12 ILE 26 12.916 3.758 3.026 803 HD13 ILE 26 HD13 ILE 26 14.072 5.058 3.321 804 H ILE 27 HN ILE 27 12.896 7.338 -1.525 805 HA ILE 27 HA ILE 27 11.095 5.511 -2.963 806 HB ILE 27 HB ILE 27 12.857 7.695 -4.095 807 HG12 ILE 27 HG12 ILE 27 10.935 8.613 -2.897 808 HG13 ILE 27 HG11 ILE 27 10.740 8.836 -4.632 809 HG21 ILE 27 HG21 ILE 27 11.649 7.230 -6.213 810 HG22 ILE 27 HG22 ILE 27 10.927 5.816 -5.443 811 HG23 ILE 27 HG23 ILE 27 12.674 5.897 -5.675 812 HD11 ILE 27 HD11 ILE 27 9.389 6.763 -2.921 813 HD12 ILE 27 HD12 ILE 27 9.240 6.879 -4.674 814 HD13 ILE 27 HD13 ILE 27 8.645 8.188 -3.649 815 H LEU 28 HN LEU 28 11.907 3.602 -3.404 816 HA LEU 28 HA LEU 28 14.823 3.305 -3.679 817 HB2 LEU 28 HB2 LEU 28 12.859 1.862 -2.128 818 HB3 LEU 28 HB1 LEU 28 13.646 0.778 -3.258 819 HG LEU 28 HG LEU 28 15.831 1.364 -2.334 820 HD11 LEU 28 HD11 LEU 28 16.007 2.745 -0.326 821 HD12 LEU 28 HD12 LEU 28 14.284 3.109 -0.425 822 HD13 LEU 28 HD13 LEU 28 15.377 3.668 -1.690 823 HD21 LEU 28 HD21 LEU 28 13.799 0.583 -0.247 824 HD22 LEU 28 HD22 LEU 28 15.543 0.358 -0.109 825 HD23 LEU 28 HD23 LEU 28 14.638 -0.505 -1.354 826 H GLU 29 HN GLU 29 15.547 1.749 -5.269 827 HA GLU 29 HA GLU 29 13.680 1.575 -7.521 828 HB2 GLU 29 HB2 GLU 29 15.982 0.959 -8.708 829 HB3 GLU 29 HB1 GLU 29 15.471 2.622 -8.462 830 HG2 GLU 29 HG2 GLU 29 16.812 2.543 -6.301 831 HG3 GLU 29 HG1 GLU 29 17.506 1.048 -6.927 832 H CYS 30 HN CYS 30 13.836 -0.349 -8.901 833 HA CYS 30 HA CYS 30 13.556 -2.707 -7.311 834 HB2 CYS 30 HB2 CYS 30 12.112 -2.304 -9.245 835 HB3 CYS 30 HB1 CYS 30 13.510 -2.357 -10.314 836 H VAL 31 HN VAL 31 14.782 -4.535 -7.279 837 HA VAL 31 HA VAL 31 17.582 -4.182 -7.789 838 HB VAL 31 HB VAL 31 16.984 -5.362 -5.800 839 HG11 VAL 31 HG11 VAL 31 15.828 -7.577 -5.909 840 HG12 VAL 31 HG12 VAL 31 15.463 -7.234 -7.598 841 HG13 VAL 31 HG13 VAL 31 14.818 -6.195 -6.329 842 HG21 VAL 31 HG21 VAL 31 18.120 -7.295 -7.818 843 HG22 VAL 31 HG22 VAL 31 18.203 -7.483 -6.065 844 HG23 VAL 31 HG23 VAL 31 19.028 -6.135 -6.848 845 H TYR 32 HN TYR 32 14.937 -5.911 -9.336 846 HA TYR 32 HA TYR 32 16.824 -7.174 -11.183 847 HB2 TYR 32 HB2 TYR 32 13.857 -7.580 -10.778 848 HB3 TYR 32 HB1 TYR 32 14.795 -8.390 -12.025 849 HD1 TYR 32 HD2 TYR 32 16.687 -9.926 -11.304 850 HD2 TYR 32 HD1 TYR 32 13.784 -8.420 -8.588 851 HE1 TYR 32 HE2 TYR 32 17.268 -11.701 -9.703 852 HE2 TYR 32 HE1 TYR 32 14.354 -10.187 -6.982 853 HH TYR 32 HH TYR 32 15.403 -12.238 -6.792 854 H CYS 33 HN CYS 33 13.842 -5.218 -11.328 855 HA CYS 33 HA CYS 33 14.157 -4.726 -14.134 856 HB2 CYS 33 HB2 CYS 33 12.390 -3.139 -12.290 857 HB3 CYS 33 HB1 CYS 33 12.147 -3.508 -13.994 858 H LYS 34 HN LYS 34 15.199 -3.175 -11.224 859 HA LYS 34 HA LYS 34 16.467 -1.345 -10.788 860 HB2 LYS 34 HB2 LYS 34 17.139 -1.654 -13.716 861 HB3 LYS 34 HB1 LYS 34 17.937 -0.506 -12.649 862 HG2 LYS 34 HG2 LYS 34 19.193 -2.086 -11.675 863 HG3 LYS 34 HG1 LYS 34 17.876 -3.258 -11.644 864 HD2 LYS 34 HD2 LYS 34 18.247 -3.508 -14.148 865 HD3 LYS 34 HD1 LYS 34 19.748 -2.611 -13.910 866 HE2 LYS 34 HE2 LYS 34 20.569 -4.281 -12.395 867 HE3 LYS 34 HE1 LYS 34 19.025 -5.131 -12.426 868 HZ1 LYS 34 HZ1 LYS 34 21.191 -5.152 -14.356 869 HZ2 LYS 34 HZ2 LYS 34 19.638 -5.102 -15.015 870 HZ3 LYS 34 HZ3 LYS 34 20.071 -6.359 -13.973 871 H GLN 35 HN GLN 35 13.693 -1.088 -11.588 872 HA GLN 35 HA GLN 35 13.610 1.541 -12.876 873 HB2 GLN 35 HB2 GLN 35 11.350 -0.314 -12.089 874 HB3 GLN 35 HB1 GLN 35 11.183 1.184 -12.991 875 HG2 GLN 35 HG2 GLN 35 12.617 -1.299 -13.903 876 HG3 GLN 35 HG1 GLN 35 11.046 -0.733 -14.463 877 HE21 GLN 35 HE21 GLN 35 14.433 -0.496 -14.797 878 HE22 GLN 35 HE22 GLN 35 14.458 0.691 -16.058 879 H GLN 36 HN GLN 36 12.135 3.161 -11.886 880 HA GLN 36 HA GLN 36 12.741 3.428 -9.075 881 HB2 GLN 36 HB2 GLN 36 11.002 5.262 -10.725 882 HB3 GLN 36 HB1 GLN 36 11.899 5.649 -9.265 883 HG2 GLN 36 HG2 GLN 36 13.864 5.900 -10.365 884 HG3 GLN 36 HG1 GLN 36 13.453 4.716 -11.604 885 HE21 GLN 36 HE21 GLN 36 11.395 7.380 -10.647 886 HE22 GLN 36 HE22 GLN 36 11.510 8.254 -12.134 887 H LEU 37 HN LEU 37 11.486 2.542 -7.551 888 HA LEU 37 HA LEU 37 8.792 1.716 -8.176 889 HB2 LEU 37 HB2 LEU 37 10.692 1.302 -5.943 890 HB3 LEU 37 HB1 LEU 37 8.990 1.258 -5.526 891 HG LEU 37 HG LEU 37 8.678 -0.499 -7.287 892 HD11 LEU 37 HD11 LEU 37 10.591 -0.061 -8.671 893 HD12 LEU 37 HD12 LEU 37 10.695 -1.700 -8.030 894 HD13 LEU 37 HD13 LEU 37 11.685 -0.418 -7.334 895 HD21 LEU 37 HD21 LEU 37 8.778 -1.194 -5.020 896 HD22 LEU 37 HD22 LEU 37 10.529 -1.005 -4.973 897 HD23 LEU 37 HD23 LEU 37 9.807 -2.290 -5.940 898 H LEU 38 HN LEU 38 7.013 2.848 -7.822 899 HA LEU 38 HA LEU 38 7.185 5.457 -6.629 900 HB2 LEU 38 HB2 LEU 38 4.741 3.941 -7.558 901 HB3 LEU 38 HB1 LEU 38 4.835 5.658 -7.226 902 HG LEU 38 HG LEU 38 6.304 4.240 -9.451 903 HD11 LEU 38 HD11 LEU 38 3.894 6.044 -9.526 904 HD12 LEU 38 HD12 LEU 38 3.903 4.308 -9.834 905 HD13 LEU 38 HD13 LEU 38 4.750 5.403 -10.928 906 HD21 LEU 38 HD21 LEU 38 6.815 6.522 -10.223 907 HD22 LEU 38 HD22 LEU 38 7.533 6.169 -8.653 908 HD23 LEU 38 HD23 LEU 38 6.082 7.164 -8.753 909 H ARG 39 HN ARG 39 5.347 6.061 -5.015 910 HA ARG 39 HA ARG 39 5.827 4.685 -2.628 911 HB2 ARG 39 HB2 ARG 39 4.267 6.140 -1.587 912 HB3 ARG 39 HB1 ARG 39 5.068 7.071 -2.841 913 HG2 ARG 39 HG2 ARG 39 3.097 6.680 -4.308 914 HG3 ARG 39 HG1 ARG 39 2.291 5.915 -2.937 915 HD2 ARG 39 HD2 ARG 39 2.808 8.080 -1.671 916 HD3 ARG 39 HD1 ARG 39 3.150 8.773 -3.251 917 HE ARG 39 HE ARG 39 0.545 7.505 -2.764 918 HH11 ARG 39 HH11 ARG 39 2.423 10.397 -3.388 919 HH12 ARG 39 HH12 ARG 39 1.038 11.365 -3.763 920 HH21 ARG 39 HH21 ARG 39 -1.279 8.778 -3.249 921 HH22 ARG 39 HH22 ARG 39 -1.075 10.449 -3.677 922 H ARG 40 HN ARG 40 3.758 3.871 -5.163 923 HA ARG 40 HA ARG 40 1.630 2.594 -3.860 924 HB2 ARG 40 HB2 ARG 40 1.729 3.097 -6.294 925 HB3 ARG 40 HB1 ARG 40 2.947 1.847 -6.479 926 HG2 ARG 40 HG2 ARG 40 1.245 0.218 -5.579 927 HG3 ARG 40 HG1 ARG 40 0.054 1.511 -5.746 928 HD2 ARG 40 HD2 ARG 40 -0.128 0.281 -7.733 929 HD3 ARG 40 HD1 ARG 40 0.843 1.686 -8.169 930 HE ARG 40 HE ARG 40 2.392 -0.626 -7.384 931 HH11 ARG 40 HH11 ARG 40 0.834 1.008 -10.082 932 HH12 ARG 40 HH12 ARG 40 1.833 0.247 -11.275 933 HH21 ARG 40 HH21 ARG 40 3.681 -1.645 -8.964 934 HH22 ARG 40 HH22 ARG 40 3.433 -1.261 -10.649 935 H GLU 41 HN GLU 41 4.710 1.293 -5.082 936 HA GLU 41 HA GLU 41 4.263 -1.318 -4.025 937 HB2 GLU 41 HB2 GLU 41 6.972 -0.227 -4.728 938 HB3 GLU 41 HB1 GLU 41 6.383 -1.877 -4.869 939 HG2 GLU 41 HG2 GLU 41 5.450 0.437 -6.550 940 HG3 GLU 41 HG1 GLU 41 6.667 -0.738 -7.034 941 H VAL 42 HN VAL 42 5.816 1.590 -2.876 942 HA VAL 42 HA VAL 42 7.336 0.507 -0.786 943 HB VAL 42 HB VAL 42 6.008 3.226 -0.864 944 HG11 VAL 42 HG11 VAL 42 7.718 3.924 0.684 945 HG12 VAL 42 HG12 VAL 42 8.447 2.318 0.655 946 HG13 VAL 42 HG13 VAL 42 6.845 2.549 1.356 947 HG21 VAL 42 HG21 VAL 42 8.143 4.021 -1.778 948 HG22 VAL 42 HG22 VAL 42 7.367 2.853 -2.847 949 HG23 VAL 42 HG23 VAL 42 8.727 2.358 -1.839 950 H TYR 43 HN TYR 43 3.944 1.482 -0.933 951 HA TYR 43 HA TYR 43 3.467 1.137 1.856 952 HB2 TYR 43 HB2 TYR 43 1.524 1.217 -0.461 953 HB3 TYR 43 HB1 TYR 43 1.061 1.238 1.237 954 HD1 TYR 43 HD1 TYR 43 3.624 3.048 1.885 955 HD2 TYR 43 HD2 TYR 43 0.323 3.351 -0.783 956 HE1 TYR 43 HE1 TYR 43 3.844 5.493 1.909 957 HE2 TYR 43 HE2 TYR 43 0.534 5.803 -0.767 958 HH TYR 43 HH TYR 43 3.242 7.408 0.365 959 H ASP 44 HN ASP 44 3.176 -0.941 -0.967 960 HA ASP 44 HA ASP 44 1.875 -3.096 0.372 961 HB2 ASP 44 HB2 ASP 44 2.188 -2.606 -2.196 962 HB3 ASP 44 HB1 ASP 44 3.683 -3.510 -1.990 963 H PHE 45 HN PHE 45 5.178 -2.149 -0.222 964 HA PHE 45 HA PHE 45 6.537 -4.434 0.659 965 HB2 PHE 45 HB2 PHE 45 7.428 -2.361 -0.575 966 HB3 PHE 45 HB1 PHE 45 7.517 -1.600 1.005 967 HD1 PHE 45 HD2 PHE 45 9.024 -2.616 2.753 968 HD2 PHE 45 HD1 PHE 45 9.104 -3.798 -1.332 969 HE1 PHE 45 HE2 PHE 45 11.261 -3.587 3.083 970 HE2 PHE 45 HE1 PHE 45 11.341 -4.769 -1.012 971 HZ PHE 45 HZ PHE 45 12.421 -4.665 1.198 972 H ALA 46 HN ALA 46 5.174 -1.705 2.395 973 HA ALA 46 HA ALA 46 6.342 -2.516 4.914 974 HB1 ALA 46 HB1 ALA 46 6.128 -0.158 4.496 975 HB2 ALA 46 HB2 ALA 46 5.070 -0.603 5.836 976 HB3 ALA 46 HB3 ALA 46 4.391 -0.325 4.234 977 H PHE 47 HN PHE 47 3.253 -2.727 3.267 978 HA PHE 47 HA PHE 47 1.733 -3.563 5.510 979 HB2 PHE 47 HB2 PHE 47 0.752 -2.641 3.411 980 HB3 PHE 47 HB1 PHE 47 1.201 -4.130 2.587 981 HD1 PHE 47 HD1 PHE 47 -0.726 -2.946 5.552 982 HD2 PHE 47 HD2 PHE 47 -0.344 -5.843 2.450 983 HE1 PHE 47 HE1 PHE 47 -2.850 -3.974 6.250 984 HE2 PHE 47 HE2 PHE 47 -2.467 -6.870 3.144 985 HZ PHE 47 HZ PHE 47 -3.721 -5.938 5.045 986 H ARG 48 HN ARG 48 3.242 -5.370 2.846 987 HA ARG 48 HA ARG 48 2.708 -7.868 4.261 988 HB2 ARG 48 HB2 ARG 48 3.729 -7.247 1.492 989 HB3 ARG 48 HB1 ARG 48 3.777 -8.871 2.164 990 HG2 ARG 48 HG2 ARG 48 1.304 -8.703 2.519 991 HG3 ARG 48 HG1 ARG 48 1.346 -7.193 1.610 992 HD2 ARG 48 HD2 ARG 48 2.600 -9.599 0.398 993 HD3 ARG 48 HD1 ARG 48 0.841 -9.514 0.445 994 HE ARG 48 HE ARG 48 1.775 -7.076 -0.565 995 HH11 ARG 48 HH11 ARG 48 1.738 -10.466 -1.477 996 HH12 ARG 48 HH12 ARG 48 1.696 -10.137 -3.176 997 HH21 ARG 48 HH21 ARG 48 1.699 -6.637 -2.794 998 HH22 ARG 48 HH22 ARG 48 1.673 -7.955 -3.934 999 H ASP 49 HN ASP 49 4.543 -9.457 4.444 1000 HA ASP 49 HA ASP 49 6.772 -8.070 5.629 1001 HB2 ASP 49 HB2 ASP 49 5.867 -10.017 6.780 1002 HB3 ASP 49 HB1 ASP 49 6.248 -11.033 5.392 1003 H LEU 50 HN LEU 50 7.604 -7.103 3.723 1004 HA LEU 50 HA LEU 50 9.023 -8.950 1.947 1005 HB2 LEU 50 HB2 LEU 50 7.954 -6.208 1.660 1006 HB3 LEU 50 HB1 LEU 50 9.477 -6.526 0.851 1007 HG LEU 50 HG LEU 50 8.285 -8.557 -0.189 1008 HD11 LEU 50 HD11 LEU 50 5.888 -6.967 0.697 1009 HD12 LEU 50 HD12 LEU 50 6.340 -8.572 1.266 1010 HD13 LEU 50 HD13 LEU 50 5.865 -8.334 -0.415 1011 HD21 LEU 50 HD21 LEU 50 7.385 -7.194 -1.991 1012 HD22 LEU 50 HD22 LEU 50 8.929 -6.550 -1.431 1013 HD23 LEU 50 HD23 LEU 50 7.421 -5.771 -0.951 1014 H CYS 51 HN CYS 51 11.228 -8.809 1.655 1015 HA CYS 51 HA CYS 51 12.657 -7.457 3.826 1016 HB2 CYS 51 HB2 CYS 51 14.526 -9.034 3.136 1017 HB3 CYS 51 HB1 CYS 51 13.099 -9.793 3.832 1018 HG CYS 51 HG CYS 51 14.232 -9.899 0.642 1019 H ILE 52 HN ILE 52 14.508 -6.213 3.383 1020 HA ILE 52 HA ILE 52 14.429 -4.897 0.824 1021 HB ILE 52 HB ILE 52 16.263 -4.470 3.189 1022 HG12 ILE 52 HG12 ILE 52 13.872 -2.893 2.209 1023 HG13 ILE 52 HG11 ILE 52 13.901 -3.928 3.632 1024 HG21 ILE 52 HG21 ILE 52 15.914 -2.806 0.696 1025 HG22 ILE 52 HG22 ILE 52 17.332 -3.770 1.113 1026 HG23 ILE 52 HG23 ILE 52 16.898 -2.369 2.094 1027 HD11 ILE 52 HD11 ILE 52 14.090 -1.523 4.139 1028 HD12 ILE 52 HD12 ILE 52 15.620 -1.493 3.263 1029 HD13 ILE 52 HD13 ILE 52 15.455 -2.471 4.721 1030 H VAL 53 HN VAL 53 15.759 -5.199 -0.845 1031 HA VAL 53 HA VAL 53 17.849 -7.238 -0.560 1032 HB VAL 53 HB VAL 53 17.744 -7.118 -3.165 1033 HG11 VAL 53 HG11 VAL 53 15.835 -8.730 -3.169 1034 HG12 VAL 53 HG12 VAL 53 15.552 -8.323 -1.475 1035 HG13 VAL 53 HG13 VAL 53 17.069 -9.081 -1.959 1036 HG21 VAL 53 HG21 VAL 53 15.047 -5.962 -2.451 1037 HG22 VAL 53 HG22 VAL 53 15.557 -6.491 -4.054 1038 HG23 VAL 53 HG23 VAL 53 16.345 -5.111 -3.290 1039 H TYR 54 HN TYR 54 19.932 -6.605 -0.646 1040 HA TYR 54 HA TYR 54 20.451 -3.818 -1.358 1041 HB2 TYR 54 HB2 TYR 54 21.917 -5.885 0.241 1042 HB3 TYR 54 HB1 TYR 54 22.815 -4.539 -0.458 1043 HD1 TYR 54 HD2 TYR 54 19.721 -5.147 1.574 1044 HD2 TYR 54 HD1 TYR 54 23.057 -2.614 0.807 1045 HE1 TYR 54 HE2 TYR 54 19.050 -3.702 3.450 1046 HE2 TYR 54 HE1 TYR 54 22.390 -1.165 2.677 1047 HH TYR 54 HH TYR 54 19.864 -2.059 4.902 1048 H ARG 55 HN ARG 55 20.842 -3.477 -3.423 1049 HA ARG 55 HA ARG 55 22.175 -5.514 -5.038 1050 HB2 ARG 55 HB2 ARG 55 20.075 -4.070 -5.701 1051 HB3 ARG 55 HB1 ARG 55 21.285 -2.861 -6.114 1052 HG2 ARG 55 HG2 ARG 55 21.508 -5.643 -7.188 1053 HG3 ARG 55 HG1 ARG 55 20.404 -4.486 -7.932 1054 HD2 ARG 55 HD2 ARG 55 23.382 -4.159 -7.574 1055 HD3 ARG 55 HD1 ARG 55 22.532 -4.469 -9.087 1056 HE ARG 55 HE ARG 55 21.445 -2.150 -8.058 1057 HH11 ARG 55 HH11 ARG 55 24.600 -3.234 -9.115 1058 HH12 ARG 55 HH12 ARG 55 25.118 -1.650 -9.600 1059 HH21 ARG 55 HH21 ARG 55 22.126 -0.057 -8.675 1060 HH22 ARG 55 HH22 ARG 55 23.713 0.156 -9.356 1061 H ASP 56 HN ASP 56 24.283 -5.510 -4.923 1062 HA ASP 56 HA ASP 56 26.454 -4.876 -5.056 1063 HB2 ASP 56 HB2 ASP 56 25.327 -3.387 -6.954 1064 HB3 ASP 56 HB1 ASP 56 25.798 -2.082 -5.869 1065 H GLY 57 HN GLY 57 24.547 -4.104 -2.768 1066 HA2 GLY 57 HA2 GLY 57 25.390 -3.575 -0.586 1067 HA3 GLY 57 HA1 GLY 57 26.548 -2.493 -1.339 1068 H ASN 58 HN ASN 58 23.896 -1.823 -3.012 1069 HA ASN 58 HA ASN 58 23.168 0.383 -1.222 1070 HB2 ASN 58 HB2 ASN 58 23.485 0.127 -4.089 1071 HB3 ASN 58 HB1 ASN 58 21.884 0.744 -3.694 1072 HD21 ASN 58 HD21 ASN 58 24.032 2.123 -5.016 1073 HD22 ASN 58 HD22 ASN 58 24.410 3.499 -4.041 1074 HA PRO 59 HA PRO 59 19.296 -1.520 -0.226 1075 HB2 PRO 59 HB2 PRO 59 17.819 0.732 0.282 1076 HB3 PRO 59 HB1 PRO 59 19.012 0.064 1.414 1077 HG2 PRO 59 HG2 PRO 59 19.296 2.325 -0.505 1078 HG3 PRO 59 HG1 PRO 59 19.865 2.188 1.172 1079 HD2 PRO 59 HD2 PRO 59 21.520 1.848 -0.917 1080 HD3 PRO 59 HD1 PRO 59 21.701 0.919 0.587 1081 H TYR 60 HN TYR 60 18.076 -2.444 -1.722 1082 HA TYR 60 HA TYR 60 16.674 -0.739 -3.672 1083 HB2 TYR 60 HB2 TYR 60 18.143 -3.318 -4.052 1084 HB3 TYR 60 HB1 TYR 60 16.724 -3.003 -5.044 1085 HD1 TYR 60 HD2 TYR 60 19.717 -1.041 -3.914 1086 HD2 TYR 60 HD1 TYR 60 17.216 -2.220 -7.143 1087 HE1 TYR 60 HE2 TYR 60 21.090 0.285 -5.457 1088 HE2 TYR 60 HE1 TYR 60 18.588 -0.897 -8.693 1089 HH TYR 60 HH TYR 60 20.126 1.222 -8.412 1090 H ALA 61 HN ALA 61 14.660 -1.876 -4.535 1091 HA ALA 61 HA ALA 61 13.404 -3.415 -2.356 1092 HB1 ALA 61 HB1 ALA 61 12.260 -1.138 -3.950 1093 HB2 ALA 61 HB2 ALA 61 12.497 -1.232 -2.207 1094 HB3 ALA 61 HB3 ALA 61 11.270 -2.231 -2.986 1095 H VAL 62 HN VAL 62 11.154 -4.234 -3.271 1096 HA VAL 62 HA VAL 62 11.693 -5.598 -5.827 1097 HB VAL 62 HB VAL 62 10.096 -6.720 -3.514 1098 HG11 VAL 62 HG11 VAL 62 10.082 -8.768 -4.711 1099 HG12 VAL 62 HG12 VAL 62 11.247 -8.162 -5.887 1100 HG13 VAL 62 HG13 VAL 62 9.608 -7.511 -5.855 1101 HG21 VAL 62 HG21 VAL 62 12.417 -6.515 -2.826 1102 HG22 VAL 62 HG22 VAL 62 12.945 -7.325 -4.303 1103 HG23 VAL 62 HG23 VAL 62 12.006 -8.209 -3.099 1104 H CYS 63 HN CYS 63 10.260 -5.061 -7.368 1105 HA CYS 63 HA CYS 63 7.824 -3.669 -6.678 1106 HB2 CYS 63 HB2 CYS 63 7.551 -3.607 -9.202 1107 HB3 CYS 63 HB1 CYS 63 8.985 -2.805 -8.568 1108 H ASP 64 HN ASP 64 5.846 -4.335 -8.117 1109 HA ASP 64 HA ASP 64 4.893 -6.796 -7.182 1110 HB2 ASP 64 HB2 ASP 64 3.338 -5.056 -7.805 1111 HB3 ASP 64 HB1 ASP 64 3.922 -5.062 -9.467 1112 H LYS 65 HN LYS 65 6.687 -5.981 -10.022 1113 HA LYS 65 HA LYS 65 6.061 -8.249 -11.603 1114 HB2 LYS 65 HB2 LYS 65 8.469 -6.421 -11.608 1115 HB3 LYS 65 HB1 LYS 65 8.171 -7.664 -12.814 1116 HG2 LYS 65 HG2 LYS 65 6.186 -6.551 -13.561 1117 HG3 LYS 65 HG1 LYS 65 6.302 -5.374 -12.252 1118 HD2 LYS 65 HD2 LYS 65 7.117 -4.373 -14.286 1119 HD3 LYS 65 HD1 LYS 65 8.475 -4.624 -13.190 1120 HE2 LYS 65 HE2 LYS 65 8.444 -6.965 -14.591 1121 HE3 LYS 65 HE1 LYS 65 7.912 -5.811 -15.811 1122 HZ1 LYS 65 HZ1 LYS 65 10.335 -6.090 -15.762 1123 HZ2 LYS 65 HZ2 LYS 65 10.372 -5.521 -14.168 1124 HZ3 LYS 65 HZ3 LYS 65 9.871 -4.500 -15.420 1125 H CYS 66 HN CYS 66 8.967 -7.483 -9.691 1126 HA CYS 66 HA CYS 66 10.081 -10.082 -9.956 1127 HB2 CYS 66 HB2 CYS 66 10.767 -8.072 -7.829 1128 HB3 CYS 66 HB1 CYS 66 11.816 -9.282 -8.560 1129 H LEU 67 HN LEU 67 7.856 -8.644 -7.726 1130 HA LEU 67 HA LEU 67 8.163 -10.199 -5.467 1131 HB2 LEU 67 HB2 LEU 67 6.142 -8.502 -6.574 1132 HB3 LEU 67 HB1 LEU 67 5.379 -9.934 -5.909 1133 HG LEU 67 HG LEU 67 7.351 -8.327 -4.316 1134 HD11 LEU 67 HD11 LEU 67 4.369 -7.926 -4.533 1135 HD12 LEU 67 HD12 LEU 67 5.626 -6.770 -4.970 1136 HD13 LEU 67 HD13 LEU 67 5.390 -7.219 -3.282 1137 HD21 LEU 67 HD21 LEU 67 6.185 -9.365 -2.433 1138 HD22 LEU 67 HD22 LEU 67 6.835 -10.580 -3.534 1139 HD23 LEU 67 HD23 LEU 67 5.114 -10.203 -3.560 1140 H LYS 68 HN LYS 68 6.204 -10.918 -8.327 1141 HA LYS 68 HA LYS 68 5.501 -13.532 -7.327 1142 HB2 LYS 68 HB2 LYS 68 4.802 -13.540 -9.976 1143 HB3 LYS 68 HB1 LYS 68 3.764 -13.042 -8.650 1144 HG2 LYS 68 HG2 LYS 68 4.284 -10.747 -9.006 1145 HG3 LYS 68 HG1 LYS 68 5.552 -11.159 -10.163 1146 HD2 LYS 68 HD2 LYS 68 3.987 -11.934 -11.754 1147 HD3 LYS 68 HD1 LYS 68 2.672 -11.919 -10.577 1148 HE2 LYS 68 HE2 LYS 68 4.133 -9.410 -11.357 1149 HE3 LYS 68 HE1 LYS 68 2.766 -10.017 -12.294 1150 HZ1 LYS 68 HZ1 LYS 68 1.411 -9.913 -10.277 1151 HZ2 LYS 68 HZ2 LYS 68 2.044 -8.391 -10.670 1152 HZ3 LYS 68 HZ3 LYS 68 2.725 -9.288 -9.412 1153 H PHE 69 HN PHE 69 8.016 -12.165 -9.246 1154 HA PHE 69 HA PHE 69 8.656 -14.590 -10.642 1155 HB2 PHE 69 HB2 PHE 69 9.425 -11.862 -10.821 1156 HB3 PHE 69 HB1 PHE 69 10.889 -12.808 -10.583 1157 HD1 PHE 69 HD2 PHE 69 11.475 -14.624 -12.172 1158 HD2 PHE 69 HD1 PHE 69 8.250 -11.930 -12.894 1159 HE1 PHE 69 HE2 PHE 69 11.488 -15.239 -14.548 1160 HE2 PHE 69 HE1 PHE 69 8.263 -12.547 -15.278 1161 HZ PHE 69 HZ PHE 69 9.883 -14.209 -16.108 1162 H TYR 70 HN TYR 70 10.306 -12.790 -8.005 1163 HA TYR 70 HA TYR 70 11.441 -15.360 -7.116 1164 HB2 TYR 70 HB2 TYR 70 13.013 -12.857 -7.739 1165 HB3 TYR 70 HB1 TYR 70 13.637 -14.128 -6.696 1166 HD1 TYR 70 HD2 TYR 70 13.983 -16.426 -7.644 1167 HD2 TYR 70 HD1 TYR 70 13.081 -13.062 -10.084 1168 HE1 TYR 70 HE2 TYR 70 14.800 -17.641 -9.620 1169 HE2 TYR 70 HE1 TYR 70 13.893 -14.267 -12.061 1170 HH TYR 70 HH TYR 70 15.289 -16.080 -12.666 Start of MODEL 16 1 H MET 1 HT1 MET 1 -24.102 -1.174 -2.926 2 HA MET 1 HA MET 1 -26.142 -2.895 -4.200 3 HB2 MET 1 HB2 MET 1 -24.436 -3.795 -5.515 4 HB3 MET 1 HB1 MET 1 -24.052 -2.083 -5.489 5 HG2 MET 1 HG2 MET 1 -22.733 -4.247 -3.865 6 HG3 MET 1 HG1 MET 1 -22.046 -3.385 -5.238 7 HE1 MET 1 HE1 MET 1 -20.215 -3.510 -2.851 8 HE2 MET 1 HE2 MET 1 -19.779 -1.824 -2.581 9 HE3 MET 1 HE3 MET 1 -19.906 -2.449 -4.224 10 H PHE 2 HN PHE 2 -24.941 -2.358 -1.250 11 HA PHE 2 HA PHE 2 -24.135 -5.088 -0.638 12 HB2 PHE 2 HB2 PHE 2 -23.325 -2.711 0.384 13 HB3 PHE 2 HB1 PHE 2 -24.549 -3.163 1.566 14 HD1 PHE 2 HD1 PHE 2 -21.413 -4.261 -0.048 15 HD2 PHE 2 HD2 PHE 2 -24.141 -4.847 3.168 16 HE1 PHE 2 HE1 PHE 2 -19.798 -5.765 1.047 17 HE2 PHE 2 HE2 PHE 2 -22.533 -6.346 4.267 18 HZ PHE 2 HZ PHE 2 -20.362 -6.809 3.208 19 H GLN 3 HN GLN 3 -25.229 -6.378 0.954 20 HA GLN 3 HA GLN 3 -28.110 -5.864 0.936 21 HB2 GLN 3 HB2 GLN 3 -27.741 -8.411 1.980 22 HB3 GLN 3 HB1 GLN 3 -28.237 -8.010 0.345 23 HG2 GLN 3 HG2 GLN 3 -26.477 -9.517 0.094 24 HG3 GLN 3 HG1 GLN 3 -25.767 -7.936 -0.224 25 HE21 GLN 3 HE21 GLN 3 -25.961 -10.600 2.028 26 HE22 GLN 3 HE22 GLN 3 -24.563 -10.166 2.947 27 H ASP 4 HN ASP 4 -29.006 -7.318 2.995 28 HA ASP 4 HA ASP 4 -27.709 -6.261 5.409 29 HB2 ASP 4 HB2 ASP 4 -29.585 -4.751 4.664 30 HB3 ASP 4 HB1 ASP 4 -30.687 -6.108 4.856 31 HA PRO 5 HA PRO 5 -27.998 -6.366 7.442 32 HB2 PRO 5 HB2 PRO 5 -27.221 -7.936 9.638 33 HB3 PRO 5 HB1 PRO 5 -28.744 -7.048 9.475 34 HG2 PRO 5 HG2 PRO 5 -28.431 -9.834 9.584 35 HG3 PRO 5 HG1 PRO 5 -29.906 -8.945 9.171 36 HD2 PRO 5 HD2 PRO 5 -27.924 -10.245 7.379 37 HD3 PRO 5 HD1 PRO 5 -29.672 -10.009 7.162 38 H GLN 6 HN GLN 6 -26.210 -9.212 8.518 39 HA GLN 6 HA GLN 6 -24.057 -9.868 8.384 40 HB2 GLN 6 HB2 GLN 6 -24.432 -8.486 5.854 41 HB3 GLN 6 HB1 GLN 6 -22.772 -8.384 6.430 42 HG2 GLN 6 HG2 GLN 6 -24.382 -10.853 5.860 43 HG3 GLN 6 HG1 GLN 6 -22.903 -10.310 5.070 44 HE21 GLN 6 HE21 GLN 6 -20.936 -10.698 6.019 45 HE22 GLN 6 HE22 GLN 6 -20.752 -11.713 7.413 46 H GLU 7 HN GLU 7 -25.017 -6.893 9.265 47 HA GLU 7 HA GLU 7 -24.202 -5.349 10.697 48 HB2 GLU 7 HB2 GLU 7 -23.109 -7.232 11.849 49 HB3 GLU 7 HB1 GLU 7 -21.713 -7.049 10.795 50 HG2 GLU 7 HG2 GLU 7 -21.368 -4.784 11.687 51 HG3 GLU 7 HG1 GLU 7 -22.724 -5.037 12.787 52 H ARG 8 HN ARG 8 -21.864 -6.391 8.268 53 HA ARG 8 HA ARG 8 -20.740 -5.250 6.666 54 HB2 ARG 8 HB2 ARG 8 -22.233 -2.877 7.775 55 HB3 ARG 8 HB1 ARG 8 -21.062 -2.736 6.469 56 HG2 ARG 8 HG2 ARG 8 -22.439 -3.658 4.948 57 HG3 ARG 8 HG1 ARG 8 -23.151 -4.783 6.108 58 HD2 ARG 8 HD2 ARG 8 -23.737 -1.826 5.973 59 HD3 ARG 8 HD1 ARG 8 -24.754 -3.091 5.287 60 HE ARG 8 HE ARG 8 -24.185 -2.853 8.173 61 HH11 ARG 8 HH11 ARG 8 -26.358 -3.584 5.521 62 HH12 ARG 8 HH12 ARG 8 -27.717 -3.900 6.563 63 HH21 ARG 8 HH21 ARG 8 -25.976 -3.282 9.530 64 HH22 ARG 8 HH22 ARG 8 -27.503 -3.698 8.818 65 HA PRO 9 HA PRO 9 -17.283 -4.491 9.358 66 HB2 PRO 9 HB2 PRO 9 -15.365 -4.764 7.455 67 HB3 PRO 9 HB1 PRO 9 -16.191 -6.150 8.192 68 HG2 PRO 9 HG2 PRO 9 -16.648 -4.874 5.548 69 HG3 PRO 9 HG1 PRO 9 -16.685 -6.590 6.002 70 HD2 PRO 9 HD2 PRO 9 -18.926 -5.068 5.660 71 HD3 PRO 9 HD1 PRO 9 -18.847 -6.491 6.718 72 H ARG 10 HN ARG 10 -16.204 -2.691 9.911 73 HA ARG 10 HA ARG 10 -16.551 -0.347 8.218 74 HB2 ARG 10 HB2 ARG 10 -15.500 -0.636 11.042 75 HB3 ARG 10 HB1 ARG 10 -15.715 0.896 10.204 76 HG2 ARG 10 HG2 ARG 10 -17.973 -1.030 10.644 77 HG3 ARG 10 HG1 ARG 10 -17.536 0.214 11.815 78 HD2 ARG 10 HD2 ARG 10 -18.230 0.769 8.932 79 HD3 ARG 10 HD1 ARG 10 -19.384 0.861 10.261 80 HE ARG 10 HE ARG 10 -17.098 2.448 10.805 81 HH11 ARG 10 HH11 ARG 10 -20.034 2.413 8.901 82 HH12 ARG 10 HH12 ARG 10 -20.163 4.140 8.830 83 HH21 ARG 10 HH21 ARG 10 -17.261 4.720 10.713 84 HH22 ARG 10 HH22 ARG 10 -18.574 5.458 9.855 85 H LYS 11 HN LYS 11 -14.393 -2.699 8.149 86 HA LYS 11 HA LYS 11 -12.173 -0.882 7.518 87 HB2 LYS 11 HB2 LYS 11 -12.003 -3.595 8.845 88 HB3 LYS 11 HB1 LYS 11 -10.612 -2.728 8.205 89 HG2 LYS 11 HG2 LYS 11 -12.433 -1.643 10.348 90 HG3 LYS 11 HG1 LYS 11 -10.924 -2.500 10.663 91 HD2 LYS 11 HD2 LYS 11 -9.623 -0.779 9.867 92 HD3 LYS 11 HD1 LYS 11 -10.895 -0.160 8.817 93 HE2 LYS 11 HE2 LYS 11 -10.812 1.444 10.482 94 HE3 LYS 11 HE1 LYS 11 -12.119 0.398 11.031 95 HZ1 LYS 11 HZ1 LYS 11 -10.626 0.959 12.837 96 HZ2 LYS 11 HZ2 LYS 11 -9.304 0.316 11.994 97 HZ3 LYS 11 HZ3 LYS 11 -10.555 -0.701 12.518 98 H LEU 12 HN LEU 12 -11.217 -1.147 5.606 99 HA LEU 12 HA LEU 12 -12.513 -2.330 3.496 100 HB2 LEU 12 HB2 LEU 12 -10.791 -0.529 3.402 101 HB3 LEU 12 HB1 LEU 12 -9.564 -1.767 3.585 102 HG LEU 12 HG LEU 12 -10.353 -2.816 1.476 103 HD11 LEU 12 HD11 LEU 12 -11.799 -1.425 0.000 104 HD12 LEU 12 HD12 LEU 12 -12.133 -0.385 1.385 105 HD13 LEU 12 HD13 LEU 12 -12.633 -2.075 1.412 106 HD21 LEU 12 HD21 LEU 12 -9.605 0.090 1.198 107 HD22 LEU 12 HD22 LEU 12 -9.352 -1.185 0.011 108 HD23 LEU 12 HD23 LEU 12 -8.474 -1.218 1.537 109 HA PRO 13 HA PRO 13 -9.166 -5.999 3.525 110 HB2 PRO 13 HB2 PRO 13 -8.825 -6.756 6.226 111 HB3 PRO 13 HB1 PRO 13 -7.608 -6.013 5.175 112 HG2 PRO 13 HG2 PRO 13 -9.359 -4.760 7.209 113 HG3 PRO 13 HG1 PRO 13 -7.700 -4.349 6.727 114 HD2 PRO 13 HD2 PRO 13 -9.762 -2.843 5.959 115 HD3 PRO 13 HD1 PRO 13 -8.395 -3.152 4.868 116 H GLN 14 HN GLN 14 -11.548 -5.663 6.141 117 HA GLN 14 HA GLN 14 -12.388 -8.396 5.961 118 HB2 GLN 14 HB2 GLN 14 -12.903 -6.119 7.673 119 HB3 GLN 14 HB1 GLN 14 -14.385 -6.982 7.290 120 HG2 GLN 14 HG2 GLN 14 -13.127 -9.093 7.971 121 HG3 GLN 14 HG1 GLN 14 -11.933 -8.000 8.671 122 HE21 GLN 14 HE21 GLN 14 -15.235 -9.104 8.805 123 HE22 GLN 14 HE22 GLN 14 -15.556 -8.555 10.413 124 H LEU 15 HN LEU 15 -13.306 -5.431 4.433 125 HA LEU 15 HA LEU 15 -15.940 -6.179 3.671 126 HB2 LEU 15 HB2 LEU 15 -15.110 -3.843 3.705 127 HB3 LEU 15 HB1 LEU 15 -14.068 -4.215 2.346 128 HG LEU 15 HG LEU 15 -16.111 -4.729 0.996 129 HD11 LEU 15 HD11 LEU 15 -17.652 -5.239 2.792 130 HD12 LEU 15 HD12 LEU 15 -18.262 -3.892 1.829 131 HD13 LEU 15 HD13 LEU 15 -17.522 -3.587 3.402 132 HD21 LEU 15 HD21 LEU 15 -16.126 -1.946 2.142 133 HD22 LEU 15 HD22 LEU 15 -16.622 -2.452 0.528 134 HD23 LEU 15 HD23 LEU 15 -14.923 -2.524 0.991 135 H CYS 16 HN CYS 16 -12.764 -6.641 2.269 136 HA CYS 16 HA CYS 16 -13.498 -7.429 -0.313 137 HB2 CYS 16 HB2 CYS 16 -11.175 -8.541 1.269 138 HB3 CYS 16 HB1 CYS 16 -11.310 -8.406 -0.482 139 HG CYS 16 HG CYS 16 -11.695 -5.396 0.450 140 H THR 17 HN THR 17 -13.375 -9.213 2.706 141 HA THR 17 HA THR 17 -13.707 -11.806 1.644 142 HB THR 17 HB THR 17 -14.759 -10.998 4.338 143 HG1 THR 17 HG1 THR 17 -12.011 -11.438 3.707 144 HG21 THR 17 HG21 THR 17 -13.810 -13.188 4.972 145 HG22 THR 17 HG22 THR 17 -13.291 -13.427 3.303 146 HG23 THR 17 HG23 THR 17 -15.010 -13.328 3.686 147 H GLU 18 HN GLU 18 -15.995 -9.278 2.517 148 HA GLU 18 HA GLU 18 -18.313 -10.946 2.384 149 HB2 GLU 18 HB2 GLU 18 -18.078 -7.937 2.218 150 HB3 GLU 18 HB1 GLU 18 -19.571 -8.832 2.458 151 HG2 GLU 18 HG2 GLU 18 -17.235 -8.647 4.339 152 HG3 GLU 18 HG1 GLU 18 -18.845 -7.965 4.557 153 H LEU 19 HN LEU 19 -16.455 -9.126 0.090 154 HA LEU 19 HA LEU 19 -18.532 -9.405 -1.952 155 HB2 LEU 19 HB2 LEU 19 -15.871 -7.978 -2.002 156 HB3 LEU 19 HB1 LEU 19 -16.992 -8.034 -3.348 157 HG LEU 19 HG LEU 19 -17.613 -6.811 -0.658 158 HD11 LEU 19 HD11 LEU 19 -17.419 -4.662 -1.813 159 HD12 LEU 19 HD12 LEU 19 -16.868 -5.497 -3.264 160 HD13 LEU 19 HD13 LEU 19 -15.889 -5.539 -1.798 161 HD21 LEU 19 HD21 LEU 19 -19.540 -5.840 -1.847 162 HD22 LEU 19 HD22 LEU 19 -19.602 -7.600 -1.782 163 HD23 LEU 19 HD23 LEU 19 -19.118 -6.790 -3.272 164 H GLN 20 HN GLN 20 -16.176 -11.258 -0.718 165 HA GLN 20 HA GLN 20 -15.036 -13.098 -1.368 166 HB2 GLN 20 HB2 GLN 20 -17.175 -12.967 -3.463 167 HB3 GLN 20 HB1 GLN 20 -15.931 -14.209 -3.537 168 HG2 GLN 20 HG2 GLN 20 -17.795 -13.737 -1.220 169 HG3 GLN 20 HG1 GLN 20 -17.966 -15.002 -2.437 170 HE21 GLN 20 HE21 GLN 20 -16.504 -16.723 -2.455 171 HE22 GLN 20 HE22 GLN 20 -15.529 -17.097 -1.077 172 H THR 21 HN THR 21 -13.500 -11.066 -1.795 173 HA THR 21 HA THR 21 -11.975 -11.838 -4.095 174 HB THR 21 HB THR 21 -13.669 -10.243 -5.062 175 HG1 THR 21 HG1 THR 21 -12.080 -9.214 -6.319 176 HG21 THR 21 HG21 THR 21 -13.831 -8.671 -3.203 177 HG22 THR 21 HG22 THR 21 -13.323 -7.839 -4.673 178 HG23 THR 21 HG23 THR 21 -12.141 -8.217 -3.420 179 H THR 22 HN THR 22 -10.085 -10.056 -4.311 180 HA THR 22 HA THR 22 -9.044 -9.796 -1.577 181 HB THR 22 HB THR 22 -6.825 -9.472 -2.910 182 HG1 THR 22 HG1 THR 22 -7.677 -11.170 -4.843 183 HG21 THR 22 HG21 THR 22 -8.201 -12.163 -2.813 184 HG22 THR 22 HG22 THR 22 -7.332 -11.405 -1.481 185 HG23 THR 22 HG23 THR 22 -6.462 -11.892 -2.934 186 H ILE 23 HN ILE 23 -7.408 -7.966 -1.346 187 HA ILE 23 HA ILE 23 -8.745 -5.510 -1.673 188 HB ILE 23 HB ILE 23 -5.807 -5.865 -1.067 189 HG12 ILE 23 HG12 ILE 23 -8.131 -5.878 0.872 190 HG13 ILE 23 HG11 ILE 23 -7.228 -7.307 0.379 191 HG21 ILE 23 HG21 ILE 23 -6.055 -3.776 0.168 192 HG22 ILE 23 HG22 ILE 23 -7.758 -3.698 -0.288 193 HG23 ILE 23 HG23 ILE 23 -6.507 -3.566 -1.524 194 HD11 ILE 23 HD11 ILE 23 -5.207 -6.372 1.372 195 HD12 ILE 23 HD12 ILE 23 -6.509 -6.503 2.555 196 HD13 ILE 23 HD13 ILE 23 -6.108 -4.934 1.856 197 H HIS 24 HN HIS 24 -6.570 -7.228 -3.719 198 HA HIS 24 HA HIS 24 -5.766 -4.901 -5.239 199 HB2 HIS 24 HB2 HIS 24 -5.328 -7.607 -6.371 200 HB3 HIS 24 HB1 HIS 24 -4.230 -6.240 -6.272 201 HD1 HIS 24 HD1 HIS 24 -2.762 -6.057 -4.114 202 HD2 HIS 24 HD2 HIS 24 -5.241 -9.394 -4.256 203 HE1 HIS 24 HE1 HIS 24 -1.997 -7.599 -2.258 204 H ASP 25 HN ASP 25 -8.586 -6.543 -5.074 205 HA ASP 25 HA ASP 25 -9.155 -6.039 -7.920 206 HB2 ASP 25 HB2 ASP 25 -9.030 -8.459 -7.530 207 HB3 ASP 25 HB1 ASP 25 -10.242 -8.321 -6.261 208 H ILE 26 HN ILE 26 -10.282 -5.910 -4.615 209 HA ILE 26 HA ILE 26 -12.956 -5.263 -5.069 210 HB ILE 26 HB ILE 26 -12.172 -5.846 -2.850 211 HG12 ILE 26 HG12 ILE 26 -13.230 -3.012 -2.875 212 HG13 ILE 26 HG11 ILE 26 -14.219 -4.450 -3.112 213 HG21 ILE 26 HG21 ILE 26 -9.973 -4.703 -3.017 214 HG22 ILE 26 HG22 ILE 26 -10.817 -4.417 -1.498 215 HG23 ILE 26 HG23 ILE 26 -10.799 -3.168 -2.741 216 HD11 ILE 26 HD11 ILE 26 -13.572 -5.211 -0.851 217 HD12 ILE 26 HD12 ILE 26 -14.443 -3.677 -0.853 218 HD13 ILE 26 HD13 ILE 26 -12.692 -3.697 -0.630 219 H ILE 27 HN ILE 27 -13.886 -3.604 -5.999 220 HA ILE 27 HA ILE 27 -12.401 -1.075 -6.238 221 HB ILE 27 HB ILE 27 -14.586 -2.210 -7.998 222 HG12 ILE 27 HG12 ILE 27 -12.391 -3.224 -8.385 223 HG13 ILE 27 HG11 ILE 27 -12.856 -2.212 -9.747 224 HG21 ILE 27 HG21 ILE 27 -14.857 0.198 -7.789 225 HG22 ILE 27 HG22 ILE 27 -14.283 -0.228 -9.402 226 HG23 ILE 27 HG23 ILE 27 -13.162 0.439 -8.217 227 HD11 ILE 27 HD11 ILE 27 -11.423 -0.406 -8.760 228 HD12 ILE 27 HD12 ILE 27 -10.558 -1.831 -9.336 229 HD13 ILE 27 HD13 ILE 27 -10.837 -1.607 -7.608 230 H LEU 28 HN LEU 28 -13.131 0.524 -5.019 231 HA LEU 28 HA LEU 28 -15.974 0.521 -4.273 232 HB2 LEU 28 HB2 LEU 28 -13.784 0.307 -2.560 233 HB3 LEU 28 HB1 LEU 28 -14.265 1.989 -2.440 234 HG LEU 28 HG LEU 28 -16.572 1.256 -1.878 235 HD11 LEU 28 HD11 LEU 28 -16.518 -0.926 -2.973 236 HD12 LEU 28 HD12 LEU 28 -16.975 -1.066 -1.277 237 HD13 LEU 28 HD13 LEU 28 -15.343 -1.497 -1.787 238 HD21 LEU 28 HD21 LEU 28 -15.106 1.838 -0.078 239 HD22 LEU 28 HD22 LEU 28 -14.336 0.253 -0.125 240 HD23 LEU 28 HD23 LEU 28 -16.015 0.401 0.395 241 H GLU 29 HN GLU 29 -16.974 2.563 -4.075 242 HA GLU 29 HA GLU 29 -15.713 4.600 -5.757 243 HB2 GLU 29 HB2 GLU 29 -18.597 4.349 -4.881 244 HB3 GLU 29 HB1 GLU 29 -17.963 5.494 -6.055 245 HG2 GLU 29 HG2 GLU 29 -17.636 3.856 -7.666 246 HG3 GLU 29 HG1 GLU 29 -17.656 2.552 -6.478 247 H CYS 30 HN CYS 30 -15.851 6.817 -5.148 248 HA CYS 30 HA CYS 30 -15.217 7.291 -2.435 249 HB2 CYS 30 HB2 CYS 30 -14.250 8.692 -4.144 250 HB3 CYS 30 HB1 CYS 30 -15.843 9.187 -4.705 251 H VAL 31 HN VAL 31 -16.356 8.277 -0.830 252 HA VAL 31 HA VAL 31 -19.121 7.801 -0.706 253 HB VAL 31 HB VAL 31 -17.833 7.828 1.316 254 HG11 VAL 31 HG11 VAL 31 -17.265 10.730 0.733 255 HG12 VAL 31 HG12 VAL 31 -16.101 9.407 0.715 256 HG13 VAL 31 HG13 VAL 31 -16.855 9.899 2.232 257 HG21 VAL 31 HG21 VAL 31 -19.166 9.347 2.718 258 HG22 VAL 31 HG22 VAL 31 -20.157 8.454 1.566 259 HG23 VAL 31 HG23 VAL 31 -19.759 10.147 1.263 260 H TYR 32 HN TYR 32 -17.300 10.671 -1.601 261 HA TYR 32 HA TYR 32 -19.829 12.150 -1.827 262 HB2 TYR 32 HB2 TYR 32 -16.973 13.109 -1.657 263 HB3 TYR 32 HB1 TYR 32 -18.325 14.171 -2.039 264 HD1 TYR 32 HD2 TYR 32 -20.409 13.603 -0.254 265 HD2 TYR 32 HD1 TYR 32 -16.231 13.367 0.504 266 HE1 TYR 32 HE2 TYR 32 -20.833 13.914 2.146 267 HE2 TYR 32 HE1 TYR 32 -16.644 13.678 2.907 268 HH TYR 32 HH TYR 32 -19.145 14.923 4.199 269 H CYS 33 HN CYS 33 -16.778 11.696 -3.621 270 HA CYS 33 HA CYS 33 -17.781 12.883 -5.999 271 HB2 CYS 33 HB2 CYS 33 -15.477 10.966 -5.978 272 HB3 CYS 33 HB1 CYS 33 -15.691 12.440 -6.917 273 H LYS 34 HN LYS 34 -17.904 9.660 -4.711 274 HA LYS 34 HA LYS 34 -18.804 7.709 -5.449 275 HB2 LYS 34 HB2 LYS 34 -20.241 9.588 -7.331 276 HB3 LYS 34 HB1 LYS 34 -20.608 7.872 -7.200 277 HG2 LYS 34 HG2 LYS 34 -21.836 8.178 -5.365 278 HG3 LYS 34 HG1 LYS 34 -20.601 9.195 -4.615 279 HD2 LYS 34 HD2 LYS 34 -21.379 11.087 -6.026 280 HD3 LYS 34 HD1 LYS 34 -22.685 10.059 -6.619 281 HE2 LYS 34 HE2 LYS 34 -23.389 11.571 -4.785 282 HE3 LYS 34 HE1 LYS 34 -23.608 9.865 -4.401 283 HZ1 LYS 34 HZ1 LYS 34 -22.633 11.210 -2.581 284 HZ2 LYS 34 HZ2 LYS 34 -21.261 11.463 -3.535 285 HZ3 LYS 34 HZ3 LYS 34 -21.674 9.896 -3.043 286 H GLN 35 HN GLN 35 -16.322 8.663 -6.499 287 HA GLN 35 HA GLN 35 -16.255 7.558 -9.210 288 HB2 GLN 35 HB2 GLN 35 -15.118 9.522 -9.430 289 HB3 GLN 35 HB1 GLN 35 -14.704 9.592 -7.727 290 HG2 GLN 35 HG2 GLN 35 -12.942 7.904 -8.131 291 HG3 GLN 35 HG1 GLN 35 -13.321 7.973 -9.851 292 HE21 GLN 35 HE21 GLN 35 -12.666 9.725 -11.045 293 HE22 GLN 35 HE22 GLN 35 -11.588 10.932 -10.438 294 H GLN 36 HN GLN 36 -14.964 5.814 -9.717 295 HA GLN 36 HA GLN 36 -14.438 3.936 -7.657 296 HB2 GLN 36 HB2 GLN 36 -13.632 3.993 -10.562 297 HB3 GLN 36 HB1 GLN 36 -13.358 2.622 -9.499 298 HG2 GLN 36 HG2 GLN 36 -15.674 2.229 -9.256 299 HG3 GLN 36 HG1 GLN 36 -16.084 3.771 -10.005 300 HE21 GLN 36 HE21 GLN 36 -14.150 3.542 -12.133 301 HE22 GLN 36 HE22 GLN 36 -14.739 2.331 -13.217 302 H LEU 37 HN LEU 37 -12.737 3.781 -6.376 303 HA LEU 37 HA LEU 37 -10.442 5.473 -6.751 304 HB2 LEU 37 HB2 LEU 37 -11.333 3.510 -4.677 305 HB3 LEU 37 HB1 LEU 37 -9.647 3.986 -4.722 306 HG LEU 37 HG LEU 37 -10.511 6.404 -4.600 307 HD11 LEU 37 HD11 LEU 37 -12.690 6.637 -3.466 308 HD12 LEU 37 HD12 LEU 37 -12.981 4.917 -3.736 309 HD13 LEU 37 HD13 LEU 37 -12.828 6.012 -5.110 310 HD21 LEU 37 HD21 LEU 37 -10.748 6.249 -2.138 311 HD22 LEU 37 HD22 LEU 37 -9.354 5.372 -2.766 312 HD23 LEU 37 HD23 LEU 37 -10.806 4.492 -2.292 313 H LEU 38 HN LEU 38 -8.304 4.817 -7.091 314 HA LEU 38 HA LEU 38 -8.031 2.433 -8.714 315 HB2 LEU 38 HB2 LEU 38 -5.980 4.505 -7.924 316 HB3 LEU 38 HB1 LEU 38 -5.746 3.242 -9.118 317 HG LEU 38 HG LEU 38 -7.796 5.445 -9.372 318 HD11 LEU 38 HD11 LEU 38 -6.201 6.311 -11.114 319 HD12 LEU 38 HD12 LEU 38 -4.990 5.226 -10.435 320 HD13 LEU 38 HD13 LEU 38 -5.684 6.505 -9.441 321 HD21 LEU 38 HD21 LEU 38 -6.756 3.395 -11.326 322 HD22 LEU 38 HD22 LEU 38 -7.842 4.725 -11.730 323 HD23 LEU 38 HD23 LEU 38 -8.371 3.456 -10.624 324 H ARG 39 HN ARG 39 -6.006 1.045 -8.311 325 HA ARG 39 HA ARG 39 -6.268 -0.095 -5.736 326 HB2 ARG 39 HB2 ARG 39 -5.085 -1.837 -6.544 327 HB3 ARG 39 HB1 ARG 39 -5.377 -1.060 -8.090 328 HG2 ARG 39 HG2 ARG 39 -3.187 -0.061 -8.059 329 HG3 ARG 39 HG1 ARG 39 -2.892 -0.666 -6.427 330 HD2 ARG 39 HD2 ARG 39 -3.049 -2.967 -7.262 331 HD3 ARG 39 HD1 ARG 39 -3.347 -2.353 -8.885 332 HE ARG 39 HE ARG 39 -0.812 -2.141 -7.404 333 HH11 ARG 39 HH11 ARG 39 -2.617 -1.910 -10.411 334 HH12 ARG 39 HH12 ARG 39 -1.189 -1.842 -11.395 335 HH21 ARG 39 HH21 ARG 39 1.045 -2.088 -8.719 336 HH22 ARG 39 HH22 ARG 39 0.878 -1.962 -10.439 337 H ARG 40 HN ARG 40 -4.317 2.439 -6.933 338 HA ARG 40 HA ARG 40 -2.117 2.268 -5.179 339 HB2 ARG 40 HB2 ARG 40 -1.872 3.687 -7.040 340 HB3 ARG 40 HB1 ARG 40 -3.391 4.511 -6.722 341 HG2 ARG 40 HG2 ARG 40 -2.237 5.329 -4.567 342 HG3 ARG 40 HG1 ARG 40 -0.744 4.853 -5.380 343 HD2 ARG 40 HD2 ARG 40 -1.163 7.186 -5.796 344 HD3 ARG 40 HD1 ARG 40 -1.371 6.280 -7.293 345 HE ARG 40 HE ARG 40 -3.897 6.396 -6.334 346 HH11 ARG 40 HH11 ARG 40 -1.427 8.816 -6.865 347 HH12 ARG 40 HH12 ARG 40 -2.557 10.103 -7.140 348 HH21 ARG 40 HH21 ARG 40 -5.409 8.089 -6.690 349 HH22 ARG 40 HH22 ARG 40 -4.817 9.692 -7.045 350 H GLU 41 HN GLU 41 -5.080 4.247 -4.990 351 HA GLU 41 HA GLU 41 -4.521 5.134 -2.342 352 HB2 GLU 41 HB2 GLU 41 -7.134 5.654 -2.503 353 HB3 GLU 41 HB1 GLU 41 -5.924 6.650 -3.296 354 HG2 GLU 41 HG2 GLU 41 -7.109 4.365 -4.787 355 HG3 GLU 41 HG1 GLU 41 -8.059 5.835 -4.566 356 H VAL 42 HN VAL 42 -6.321 2.470 -3.720 357 HA VAL 42 HA VAL 42 -7.708 1.651 -1.421 358 HB VAL 42 HB VAL 42 -6.713 0.136 -3.831 359 HG11 VAL 42 HG11 VAL 42 -6.718 -1.419 -1.926 360 HG12 VAL 42 HG12 VAL 42 -7.959 -1.814 -3.117 361 HG13 VAL 42 HG13 VAL 42 -8.401 -1.003 -1.616 362 HG21 VAL 42 HG21 VAL 42 -9.083 0.031 -4.388 363 HG22 VAL 42 HG22 VAL 42 -8.572 1.700 -4.140 364 HG23 VAL 42 HG23 VAL 42 -9.484 0.862 -2.885 365 H TYR 43 HN TYR 43 -4.461 0.880 -2.602 366 HA TYR 43 HA TYR 43 -3.750 -0.937 -0.559 367 HB2 TYR 43 HB2 TYR 43 -2.183 0.780 -2.462 368 HB3 TYR 43 HB1 TYR 43 -1.359 -0.120 -1.198 369 HD1 TYR 43 HD2 TYR 43 -4.073 -2.115 -2.018 370 HD2 TYR 43 HD1 TYR 43 -0.355 -0.793 -3.620 371 HE1 TYR 43 HE2 TYR 43 -3.997 -4.099 -3.471 372 HE2 TYR 43 HE1 TYR 43 -0.274 -2.768 -5.072 373 HH TYR 43 HH TYR 43 -1.150 -4.920 -5.296 374 H ASP 44 HN ASP 44 -3.391 2.550 -0.911 375 HA ASP 44 HA ASP 44 -1.915 2.994 1.461 376 HB2 ASP 44 HB2 ASP 44 -2.169 4.573 -0.507 377 HB3 ASP 44 HB1 ASP 44 -3.773 4.959 0.104 378 H PHE 45 HN PHE 45 -5.313 2.759 0.747 379 HA PHE 45 HA PHE 45 -6.312 3.755 3.204 380 HB2 PHE 45 HB2 PHE 45 -7.512 3.364 0.926 381 HB3 PHE 45 HB1 PHE 45 -7.742 1.721 1.506 382 HD1 PHE 45 HD1 PHE 45 -9.219 1.258 3.380 383 HD2 PHE 45 HD2 PHE 45 -8.716 5.208 1.881 384 HE1 PHE 45 HE1 PHE 45 -11.254 1.967 4.571 385 HE2 PHE 45 HE2 PHE 45 -10.744 5.924 3.072 386 HZ PHE 45 HZ PHE 45 -12.019 4.308 4.419 387 H ALA 46 HN ALA 46 -5.473 0.535 2.028 388 HA ALA 46 HA ALA 46 -6.305 -0.762 4.482 389 HB1 ALA 46 HB1 ALA 46 -6.621 -1.919 2.374 390 HB2 ALA 46 HB2 ALA 46 -5.501 -2.816 3.399 391 HB3 ALA 46 HB3 ALA 46 -4.888 -1.853 2.053 392 H PHE 47 HN PHE 47 -3.540 0.819 3.363 393 HA PHE 47 HA PHE 47 -1.542 -0.690 4.699 394 HB2 PHE 47 HB2 PHE 47 -1.183 0.961 2.805 395 HB3 PHE 47 HB1 PHE 47 -1.410 2.244 3.988 396 HD1 PHE 47 HD1 PHE 47 0.650 -0.811 3.408 397 HD2 PHE 47 HD2 PHE 47 0.429 3.100 5.068 398 HE1 PHE 47 HE1 PHE 47 3.044 -0.921 3.972 399 HE2 PHE 47 HE2 PHE 47 2.821 2.998 5.638 400 HZ PHE 47 HZ PHE 47 4.132 0.988 5.089 401 H ARG 48 HN ARG 48 -3.384 2.211 5.531 402 HA ARG 48 HA ARG 48 -2.338 2.039 8.268 403 HB2 ARG 48 HB2 ARG 48 -3.604 4.322 6.754 404 HB3 ARG 48 HB1 ARG 48 -3.310 4.371 8.487 405 HG2 ARG 48 HG2 ARG 48 -0.919 4.061 8.095 406 HG3 ARG 48 HG1 ARG 48 -1.214 4.014 6.359 407 HD2 ARG 48 HD2 ARG 48 -1.664 6.335 8.222 408 HD3 ARG 48 HD1 ARG 48 -0.446 6.209 6.957 409 HE ARG 48 HE ARG 48 -3.145 7.041 6.654 410 HH11 ARG 48 HH11 ARG 48 -0.589 5.301 4.992 411 HH12 ARG 48 HH12 ARG 48 -1.201 5.657 3.401 412 HH21 ARG 48 HH21 ARG 48 -3.936 7.514 4.558 413 HH22 ARG 48 HH22 ARG 48 -3.096 6.914 3.156 414 H ASP 49 HN ASP 49 -4.207 3.169 9.777 415 HA ASP 49 HA ASP 49 -6.420 1.280 9.536 416 HB2 ASP 49 HB2 ASP 49 -5.186 1.350 11.670 417 HB3 ASP 49 HB1 ASP 49 -5.643 3.041 11.867 418 H LEU 50 HN LEU 50 -7.651 2.281 7.962 419 HA LEU 50 HA LEU 50 -8.916 4.810 8.781 420 HB2 LEU 50 HB2 LEU 50 -8.403 3.707 6.018 421 HB3 LEU 50 HB1 LEU 50 -9.453 5.075 6.331 422 HG LEU 50 HG LEU 50 -6.498 4.979 6.965 423 HD11 LEU 50 HD11 LEU 50 -7.960 6.461 4.787 424 HD12 LEU 50 HD12 LEU 50 -6.964 5.025 4.556 425 HD13 LEU 50 HD13 LEU 50 -6.229 6.525 5.123 426 HD21 LEU 50 HD21 LEU 50 -8.522 7.207 7.175 427 HD22 LEU 50 HD22 LEU 50 -6.778 7.409 7.340 428 HD23 LEU 50 HD23 LEU 50 -7.664 6.427 8.504 429 H CYS 51 HN CYS 51 -11.180 4.991 8.471 430 HA CYS 51 HA CYS 51 -12.514 2.388 8.582 431 HB2 CYS 51 HB2 CYS 51 -14.412 3.736 9.553 432 HB3 CYS 51 HB1 CYS 51 -12.944 3.694 10.525 433 HG CYS 51 HG CYS 51 -13.636 6.291 8.413 434 H ILE 52 HN ILE 52 -14.350 1.941 7.401 435 HA ILE 52 HA ILE 52 -14.533 3.266 4.843 436 HB ILE 52 HB ILE 52 -16.185 1.004 5.989 437 HG12 ILE 52 HG12 ILE 52 -13.886 0.913 4.027 438 HG13 ILE 52 HG11 ILE 52 -13.779 0.466 5.729 439 HG21 ILE 52 HG21 ILE 52 -17.375 2.167 4.224 440 HG22 ILE 52 HG22 ILE 52 -16.844 0.581 3.662 441 HG23 ILE 52 HG23 ILE 52 -15.973 2.031 3.162 442 HD11 ILE 52 HD11 ILE 52 -15.169 -1.410 5.420 443 HD12 ILE 52 HD12 ILE 52 -14.027 -1.420 4.081 444 HD13 ILE 52 HD13 ILE 52 -15.678 -0.864 3.823 445 H VAL 53 HN VAL 53 -16.098 4.663 4.200 446 HA VAL 53 HA VAL 53 -17.958 5.594 6.238 447 HB VAL 53 HB VAL 53 -17.569 6.746 3.480 448 HG11 VAL 53 HG11 VAL 53 -19.595 7.476 4.551 449 HG12 VAL 53 HG12 VAL 53 -18.431 8.801 4.561 450 HG13 VAL 53 HG13 VAL 53 -18.715 7.868 6.029 451 HG21 VAL 53 HG21 VAL 53 -15.408 6.769 4.538 452 HG22 VAL 53 HG22 VAL 53 -16.098 7.426 6.023 453 HG23 VAL 53 HG23 VAL 53 -16.072 8.403 4.555 454 H TYR 54 HN TYR 54 -19.889 4.648 6.322 455 HA TYR 54 HA TYR 54 -20.933 3.359 3.926 456 HB2 TYR 54 HB2 TYR 54 -21.476 3.107 6.851 457 HB3 TYR 54 HB1 TYR 54 -22.724 2.616 5.708 458 HD1 TYR 54 HD2 TYR 54 -19.242 1.973 6.790 459 HD2 TYR 54 HD1 TYR 54 -22.538 0.600 4.479 460 HE1 TYR 54 HE2 TYR 54 -18.105 -0.184 6.460 461 HE2 TYR 54 HE1 TYR 54 -21.414 -1.558 4.141 462 HH TYR 54 HH TYR 54 -18.336 -2.298 5.727 463 H ARG 55 HN ARG 55 -22.152 4.500 2.643 464 HA ARG 55 HA ARG 55 -23.856 6.601 3.777 465 HB2 ARG 55 HB2 ARG 55 -22.373 6.328 1.279 466 HB3 ARG 55 HB1 ARG 55 -24.051 6.772 1.008 467 HG2 ARG 55 HG2 ARG 55 -22.107 8.254 2.769 468 HG3 ARG 55 HG1 ARG 55 -22.609 8.730 1.147 469 HD2 ARG 55 HD2 ARG 55 -23.973 10.027 2.505 470 HD3 ARG 55 HD1 ARG 55 -25.002 8.647 2.123 471 HE ARG 55 HE ARG 55 -23.453 8.690 4.621 472 HH11 ARG 55 HH11 ARG 55 -26.546 8.665 2.973 473 HH12 ARG 55 HH12 ARG 55 -27.448 8.271 4.399 474 HH21 ARG 55 HH21 ARG 55 -24.658 8.195 6.517 475 HH22 ARG 55 HH22 ARG 55 -26.379 8.009 6.411 476 H ASP 56 HN ASP 56 -25.740 5.800 4.334 477 HA ASP 56 HA ASP 56 -27.817 4.906 4.194 478 HB2 ASP 56 HB2 ASP 56 -27.131 5.389 1.406 479 HB3 ASP 56 HB1 ASP 56 -28.206 4.008 1.594 480 H GLY 57 HN GLY 57 -25.352 3.338 4.594 481 HA2 GLY 57 HA2 GLY 57 -25.218 1.113 5.350 482 HA3 GLY 57 HA1 GLY 57 -26.594 0.709 4.335 483 H ASN 58 HN ASN 58 -24.820 2.434 2.298 484 HA ASN 58 HA ASN 58 -23.592 0.049 1.158 485 HB2 ASN 58 HB2 ASN 58 -24.406 2.715 0.100 486 HB3 ASN 58 HB1 ASN 58 -23.115 1.853 -0.730 487 HD21 ASN 58 HD21 ASN 58 -25.870 2.528 -1.547 488 HD22 ASN 58 HD22 ASN 58 -26.598 1.026 -1.998 489 HA PRO 59 HA PRO 59 -19.592 1.253 2.610 490 HB2 PRO 59 HB2 PRO 59 -18.106 -0.461 1.121 491 HB3 PRO 59 HB1 PRO 59 -19.087 -0.999 2.499 492 HG2 PRO 59 HG2 PRO 59 -19.680 -1.159 -0.414 493 HG3 PRO 59 HG1 PRO 59 -19.970 -2.351 0.869 494 HD2 PRO 59 HD2 PRO 59 -21.914 -0.723 -0.124 495 HD3 PRO 59 HD1 PRO 59 -21.920 -1.359 1.532 496 H TYR 60 HN TYR 60 -18.641 3.095 2.052 497 HA TYR 60 HA TYR 60 -17.821 3.476 -0.750 498 HB2 TYR 60 HB2 TYR 60 -19.084 5.433 1.154 499 HB3 TYR 60 HB1 TYR 60 -18.087 5.983 -0.189 500 HD1 TYR 60 HD2 TYR 60 -18.834 5.671 -2.500 501 HD2 TYR 60 HD1 TYR 60 -21.279 4.513 0.782 502 HE1 TYR 60 HE2 TYR 60 -20.781 5.555 -3.997 503 HE2 TYR 60 HE1 TYR 60 -23.232 4.398 -0.706 504 HH TYR 60 HH TYR 60 -22.937 4.616 -4.149 505 H ALA 61 HN ALA 61 -15.877 4.637 -1.056 506 HA ALA 61 HA ALA 61 -14.114 4.532 1.298 507 HB1 ALA 61 HB1 ALA 61 -13.418 4.399 -1.634 508 HB2 ALA 61 HB2 ALA 61 -13.432 3.048 -0.503 509 HB3 ALA 61 HB3 ALA 61 -12.261 4.351 -0.305 510 H VAL 62 HN VAL 62 -12.220 6.134 1.042 511 HA VAL 62 HA VAL 62 -13.362 8.758 0.353 512 HB VAL 62 HB VAL 62 -11.027 8.367 2.209 513 HG11 VAL 62 HG11 VAL 62 -11.739 10.526 3.091 514 HG12 VAL 62 HG12 VAL 62 -13.112 10.533 1.981 515 HG13 VAL 62 HG13 VAL 62 -11.467 10.612 1.348 516 HG21 VAL 62 HG21 VAL 62 -13.928 8.397 3.040 517 HG22 VAL 62 HG22 VAL 62 -12.531 8.377 4.118 518 HG23 VAL 62 HG23 VAL 62 -12.867 6.989 3.081 519 H CYS 63 HN CYS 63 -12.522 9.592 -1.459 520 HA CYS 63 HA CYS 63 -10.141 8.548 -2.627 521 HB2 CYS 63 HB2 CYS 63 -10.481 10.281 -4.348 522 HB3 CYS 63 HB1 CYS 63 -11.946 9.357 -4.044 523 H ASP 64 HN ASP 64 -8.391 10.071 -3.381 524 HA ASP 64 HA ASP 64 -7.022 11.094 -1.169 525 HB2 ASP 64 HB2 ASP 64 -5.813 10.358 -3.123 526 HB3 ASP 64 HB1 ASP 64 -6.621 11.559 -4.125 527 H LYS 65 HN LYS 65 -9.352 12.547 -3.256 528 HA LYS 65 HA LYS 65 -8.644 15.269 -2.653 529 HB2 LYS 65 HB2 LYS 65 -11.220 14.206 -3.821 530 HB3 LYS 65 HB1 LYS 65 -10.645 15.866 -3.889 531 HG2 LYS 65 HG2 LYS 65 -9.788 15.362 -5.881 532 HG3 LYS 65 HG1 LYS 65 -8.589 14.393 -5.025 533 HD2 LYS 65 HD2 LYS 65 -9.559 12.989 -6.682 534 HD3 LYS 65 HD1 LYS 65 -10.208 12.475 -5.121 535 HE2 LYS 65 HE2 LYS 65 -12.096 14.227 -5.761 536 HE3 LYS 65 HE1 LYS 65 -11.552 13.838 -7.395 537 HZ1 LYS 65 HZ1 LYS 65 -12.381 11.813 -5.382 538 HZ2 LYS 65 HZ2 LYS 65 -12.035 11.540 -7.021 539 HZ3 LYS 65 HZ3 LYS 65 -13.402 12.435 -6.582 540 H CYS 66 HN CYS 66 -11.381 13.148 -1.797 541 HA CYS 66 HA CYS 66 -12.564 14.964 0.002 542 HB2 CYS 66 HB2 CYS 66 -12.830 11.973 -0.281 543 HB3 CYS 66 HB1 CYS 66 -13.819 12.942 0.808 544 H LEU 67 HN LEU 67 -9.964 12.704 0.381 545 HA LEU 67 HA LEU 67 -10.023 12.337 3.151 546 HB2 LEU 67 HB2 LEU 67 -7.989 12.135 1.014 547 HB3 LEU 67 HB1 LEU 67 -7.362 12.321 2.639 548 HG LEU 67 HG LEU 67 -9.314 10.169 1.839 549 HD11 LEU 67 HD11 LEU 67 -7.382 8.660 1.889 550 HD12 LEU 67 HD12 LEU 67 -6.319 10.046 2.120 551 HD13 LEU 67 HD13 LEU 67 -7.232 9.878 0.622 552 HD21 LEU 67 HD21 LEU 67 -8.584 9.157 3.966 553 HD22 LEU 67 HD22 LEU 67 -9.362 10.724 4.197 554 HD23 LEU 67 HD23 LEU 67 -7.606 10.591 4.288 555 H LYS 68 HN LYS 68 -8.790 14.940 1.182 556 HA LYS 68 HA LYS 68 -7.588 16.342 3.409 557 HB2 LYS 68 HB2 LYS 68 -8.103 17.603 0.737 558 HB3 LYS 68 HB1 LYS 68 -6.763 17.858 1.844 559 HG2 LYS 68 HG2 LYS 68 -7.178 15.293 0.337 560 HG3 LYS 68 HG1 LYS 68 -6.225 16.636 -0.286 561 HD2 LYS 68 HD2 LYS 68 -4.611 16.414 1.426 562 HD3 LYS 68 HD1 LYS 68 -5.667 15.386 2.394 563 HE2 LYS 68 HE2 LYS 68 -3.791 14.200 1.185 564 HE3 LYS 68 HE1 LYS 68 -5.411 13.561 0.908 565 HZ1 LYS 68 HZ1 LYS 68 -5.442 14.951 -1.157 566 HZ2 LYS 68 HZ2 LYS 68 -4.352 13.656 -1.180 567 HZ3 LYS 68 HZ3 LYS 68 -3.792 15.236 -0.922 568 H PHE 69 HN PHE 69 -10.645 16.113 1.928 569 HA PHE 69 HA PHE 69 -11.565 18.736 2.652 570 HB2 PHE 69 HB2 PHE 69 -12.416 16.965 0.786 571 HB3 PHE 69 HB1 PHE 69 -13.571 16.643 2.074 572 HD1 PHE 69 HD1 PHE 69 -12.342 19.154 -0.297 573 HD2 PHE 69 HD2 PHE 69 -15.215 18.266 2.712 574 HE1 PHE 69 HE1 PHE 69 -13.658 21.117 -0.978 575 HE2 PHE 69 HE2 PHE 69 -16.532 20.229 2.039 576 HZ PHE 69 HZ PHE 69 -15.756 21.661 0.193 577 H TYR 70 HN TYR 70 -12.155 15.435 3.853 578 HA TYR 70 HA TYR 70 -13.101 16.647 6.368 579 HB2 TYR 70 HB2 TYR 70 -14.344 14.461 4.736 580 HB3 TYR 70 HB1 TYR 70 -14.573 14.487 6.481 581 HD1 TYR 70 HD1 TYR 70 -15.460 16.715 7.483 582 HD2 TYR 70 HD2 TYR 70 -15.768 15.669 3.376 583 HE1 TYR 70 HE1 TYR 70 -17.303 18.322 7.218 584 HE2 TYR 70 HE2 TYR 70 -17.608 17.272 3.097 585 HH TYR 70 HH TYR 70 -18.389 19.602 5.484 586 H MET 1 HT1 MET 1 25.889 7.877 -1.732 587 HA MET 1 HA MET 1 26.264 6.145 -0.088 588 HB2 MET 1 HB2 MET 1 28.202 7.183 0.987 589 HB3 MET 1 HB1 MET 1 28.093 7.666 -0.699 590 HG2 MET 1 HG2 MET 1 27.071 9.799 0.019 591 HG3 MET 1 HG1 MET 1 27.307 9.312 1.696 592 HE1 MET 1 HE1 MET 1 31.165 9.303 2.090 593 HE2 MET 1 HE2 MET 1 30.066 7.947 1.830 594 HE3 MET 1 HE3 MET 1 29.615 9.252 2.928 595 H PHE 2 HN PHE 2 26.216 5.462 2.061 596 HA PHE 2 HA PHE 2 24.920 7.225 3.996 597 HB2 PHE 2 HB2 PHE 2 23.476 5.264 2.629 598 HB3 PHE 2 HB1 PHE 2 23.842 4.529 4.186 599 HD1 PHE 2 HD1 PHE 2 23.121 8.082 3.332 600 HD2 PHE 2 HD2 PHE 2 21.856 4.564 5.364 601 HE1 PHE 2 HE1 PHE 2 21.265 9.333 4.348 602 HE2 PHE 2 HE2 PHE 2 19.998 5.810 6.382 603 HZ PHE 2 HZ PHE 2 19.704 8.201 5.874 604 H GLN 3 HN GLN 3 26.439 7.312 5.500 605 HA GLN 3 HA GLN 3 27.356 4.803 6.694 606 HB2 GLN 3 HB2 GLN 3 29.604 6.232 7.026 607 HB3 GLN 3 HB1 GLN 3 29.354 5.162 5.656 608 HG2 GLN 3 HG2 GLN 3 30.281 7.264 4.921 609 HG3 GLN 3 HG1 GLN 3 28.644 7.072 4.299 610 HE21 GLN 3 HE21 GLN 3 30.664 8.760 6.578 611 HE22 GLN 3 HE22 GLN 3 29.567 10.059 6.891 612 H ASP 4 HN ASP 4 28.872 5.702 8.711 613 HA ASP 4 HA ASP 4 27.208 6.376 10.746 614 HB2 ASP 4 HB2 ASP 4 29.490 5.651 11.137 615 HB3 ASP 4 HB1 ASP 4 30.122 7.132 10.428 616 HA PRO 5 HA PRO 5 26.865 7.579 12.719 617 HB2 PRO 5 HB2 PRO 5 24.484 8.727 13.353 618 HB3 PRO 5 HB1 PRO 5 26.047 9.457 13.766 619 HG2 PRO 5 HG2 PRO 5 24.224 10.081 11.489 620 HG3 PRO 5 HG1 PRO 5 25.092 11.186 12.577 621 HD2 PRO 5 HD2 PRO 5 26.002 10.619 10.109 622 HD3 PRO 5 HD1 PRO 5 27.096 10.923 11.472 623 H GLN 6 HN GLN 6 25.033 7.891 9.812 624 HA GLN 6 HA GLN 6 22.870 6.178 10.466 625 HB2 GLN 6 HB2 GLN 6 24.094 7.008 7.839 626 HB3 GLN 6 HB1 GLN 6 22.705 5.937 7.935 627 HG2 GLN 6 HG2 GLN 6 21.756 8.018 7.586 628 HG3 GLN 6 HG1 GLN 6 21.612 7.794 9.326 629 HE21 GLN 6 HE21 GLN 6 24.598 8.631 7.675 630 HE22 GLN 6 HE22 GLN 6 24.716 10.235 8.310 631 H GLU 7 HN GLU 7 22.697 3.999 10.474 632 HA GLU 7 HA GLU 7 25.114 2.507 9.671 633 HB2 GLU 7 HB2 GLU 7 24.512 2.511 12.125 634 HB3 GLU 7 HB1 GLU 7 23.076 1.591 11.694 635 HG2 GLU 7 HG2 GLU 7 24.953 0.200 12.514 636 HG3 GLU 7 HG1 GLU 7 24.394 -0.234 10.903 637 H ARG 8 HN ARG 8 21.960 3.106 8.809 638 HA ARG 8 HA ARG 8 20.561 2.197 7.272 639 HB2 ARG 8 HB2 ARG 8 22.828 0.306 6.611 640 HB3 ARG 8 HB1 ARG 8 21.426 0.649 5.608 641 HG2 ARG 8 HG2 ARG 8 22.303 2.552 4.807 642 HG3 ARG 8 HG1 ARG 8 23.017 3.001 6.359 643 HD2 ARG 8 HD2 ARG 8 24.096 0.929 4.446 644 HD3 ARG 8 HD1 ARG 8 24.735 2.557 4.668 645 HE ARG 8 HE ARG 8 24.679 1.181 7.142 646 HH11 ARG 8 HH11 ARG 8 26.431 1.309 4.121 647 HH12 ARG 8 HH12 ARG 8 27.908 0.708 4.804 648 HH21 ARG 8 HH21 ARG 8 26.629 0.434 8.069 649 HH22 ARG 8 HH22 ARG 8 28.021 0.218 7.046 650 HA PRO 9 HA PRO 9 19.401 -1.130 10.185 651 HB2 PRO 9 HB2 PRO 9 16.792 -0.408 10.351 652 HB3 PRO 9 HB1 PRO 9 18.063 0.389 11.297 653 HG2 PRO 9 HG2 PRO 9 16.726 1.297 8.801 654 HG3 PRO 9 HG1 PRO 9 17.185 2.228 10.241 655 HD2 PRO 9 HD2 PRO 9 18.641 2.212 7.943 656 HD3 PRO 9 HD1 PRO 9 19.346 2.484 9.548 657 H ARG 10 HN ARG 10 17.709 -2.821 10.000 658 HA ARG 10 HA ARG 10 17.395 -3.590 7.208 659 HB2 ARG 10 HB2 ARG 10 17.497 -4.993 9.799 660 HB3 ARG 10 HB1 ARG 10 16.353 -5.664 8.646 661 HG2 ARG 10 HG2 ARG 10 18.742 -6.597 8.687 662 HG3 ARG 10 HG1 ARG 10 18.020 -6.224 7.121 663 HD2 ARG 10 HD2 ARG 10 19.461 -4.538 6.714 664 HD3 ARG 10 HD1 ARG 10 19.495 -4.018 8.398 665 HE ARG 10 HE ARG 10 20.835 -6.486 8.122 666 HH11 ARG 10 HH11 ARG 10 21.213 -3.099 7.311 667 HH12 ARG 10 HH12 ARG 10 22.943 -3.137 7.439 668 HH21 ARG 10 HH21 ARG 10 23.095 -6.550 8.261 669 HH22 ARG 10 HH22 ARG 10 24.021 -5.110 7.979 670 H LYS 11 HN LYS 11 15.681 -1.793 9.295 671 HA LYS 11 HA LYS 11 13.074 -2.829 8.437 672 HB2 LYS 11 HB2 LYS 11 13.791 -0.904 10.648 673 HB3 LYS 11 HB1 LYS 11 12.145 -1.328 10.201 674 HG2 LYS 11 HG2 LYS 11 14.255 -3.152 11.325 675 HG3 LYS 11 HG1 LYS 11 12.777 -2.603 12.118 676 HD2 LYS 11 HD2 LYS 11 11.526 -3.744 10.211 677 HD3 LYS 11 HD1 LYS 11 13.064 -4.511 9.809 678 HE2 LYS 11 HE2 LYS 11 13.105 -5.228 12.281 679 HE3 LYS 11 HE1 LYS 11 11.391 -4.816 12.282 680 HZ1 LYS 11 HZ1 LYS 11 11.109 -6.368 10.402 681 HZ2 LYS 11 HZ2 LYS 11 11.648 -7.134 11.809 682 HZ3 LYS 11 HZ3 LYS 11 12.732 -6.821 10.551 683 H LEU 12 HN LEU 12 12.082 -1.854 6.832 684 HA LEU 12 HA LEU 12 13.029 0.301 5.401 685 HB2 LEU 12 HB2 LEU 12 11.339 -1.350 4.639 686 HB3 LEU 12 HB1 LEU 12 10.142 -0.546 5.635 687 HG LEU 12 HG LEU 12 10.715 1.562 4.247 688 HD11 LEU 12 HD11 LEU 12 11.724 -0.586 2.389 689 HD12 LEU 12 HD12 LEU 12 12.716 0.641 3.177 690 HD13 LEU 12 HD13 LEU 12 11.503 1.119 1.989 691 HD21 LEU 12 HD21 LEU 12 9.090 0.905 2.526 692 HD22 LEU 12 HD22 LEU 12 8.578 0.413 4.141 693 HD23 LEU 12 HD23 LEU 12 9.253 -0.779 3.028 694 HA PRO 13 HA PRO 13 9.848 3.235 7.723 695 HB2 PRO 13 HB2 PRO 13 9.367 2.436 10.335 696 HB3 PRO 13 HB1 PRO 13 8.253 2.178 8.977 697 HG2 PRO 13 HG2 PRO 13 10.194 0.285 10.205 698 HG3 PRO 13 HG1 PRO 13 8.544 -0.007 9.620 699 HD2 PRO 13 HD2 PRO 13 10.664 -0.734 8.172 700 HD3 PRO 13 HD1 PRO 13 9.196 -0.096 7.406 701 H GLN 14 HN GLN 14 12.291 1.422 9.504 702 HA GLN 14 HA GLN 14 13.101 3.648 11.115 703 HB2 GLN 14 HB2 GLN 14 13.377 1.183 11.689 704 HB3 GLN 14 HB1 GLN 14 14.739 1.181 10.578 705 HG2 GLN 14 HG2 GLN 14 15.851 2.884 11.905 706 HG3 GLN 14 HG1 GLN 14 14.473 2.943 13.000 707 HE21 GLN 14 HE21 GLN 14 14.047 0.076 12.924 708 HE22 GLN 14 HE22 GLN 14 15.300 -0.625 13.882 709 H LEU 15 HN LEU 15 13.977 2.377 7.997 710 HA LEU 15 HA LEU 15 16.460 3.700 7.708 711 HB2 LEU 15 HB2 LEU 15 15.647 1.867 6.221 712 HB3 LEU 15 HB1 LEU 15 14.468 2.977 5.549 713 HG LEU 15 HG LEU 15 16.312 4.390 4.695 714 HD11 LEU 15 HD11 LEU 15 18.036 3.846 6.297 715 HD12 LEU 15 HD12 LEU 15 18.593 3.462 4.669 716 HD13 LEU 15 HD13 LEU 15 18.060 2.171 5.745 717 HD21 LEU 15 HD21 LEU 15 17.023 2.866 2.913 718 HD22 LEU 15 HD22 LEU 15 15.299 2.713 3.254 719 HD23 LEU 15 HD23 LEU 15 16.427 1.498 3.853 720 H CYS 16 HN CYS 16 13.124 4.638 7.251 721 HA CYS 16 HA CYS 16 13.564 7.096 5.928 722 HB2 CYS 16 HB2 CYS 16 11.272 6.551 7.807 723 HB3 CYS 16 HB1 CYS 16 11.286 7.579 6.381 724 HG CYS 16 HG CYS 16 11.881 4.296 5.852 725 H THR 17 HN THR 17 13.687 6.094 9.261 726 HA THR 17 HA THR 17 13.602 8.645 10.470 727 HB THR 17 HB THR 17 15.167 6.423 11.710 728 HG1 THR 17 HG1 THR 17 12.422 6.229 12.010 729 HG21 THR 17 HG21 THR 17 12.992 8.224 12.783 730 HG22 THR 17 HG22 THR 17 14.718 8.563 12.893 731 HG23 THR 17 HG23 THR 17 14.042 7.160 13.718 732 H GLU 18 HN GLU 18 16.280 6.577 9.382 733 HA GLU 18 HA GLU 18 18.346 8.337 10.227 734 HB2 GLU 18 HB2 GLU 18 18.288 6.090 8.209 735 HB3 GLU 18 HB1 GLU 18 19.749 6.995 8.581 736 HG2 GLU 18 HG2 GLU 18 19.230 6.334 11.033 737 HG3 GLU 18 HG1 GLU 18 18.211 5.098 10.297 738 H LEU 19 HN LEU 19 16.496 7.948 7.281 739 HA LEU 19 HA LEU 19 17.984 9.832 5.723 740 HB2 LEU 19 HB2 LEU 19 15.246 8.614 5.384 741 HB3 LEU 19 HB1 LEU 19 15.940 9.738 4.233 742 HG LEU 19 HG LEU 19 17.353 7.183 4.953 743 HD11 LEU 19 HD11 LEU 19 15.274 7.584 2.805 744 HD12 LEU 19 HD12 LEU 19 15.120 6.556 4.229 745 HD13 LEU 19 HD13 LEU 19 16.304 6.164 2.983 746 HD21 LEU 19 HD21 LEU 19 18.334 7.496 2.724 747 HD22 LEU 19 HD22 LEU 19 18.646 8.875 3.778 748 HD23 LEU 19 HD23 LEU 19 17.405 8.984 2.532 749 H GLN 20 HN GLN 20 15.821 10.129 8.252 750 HA GLN 20 HA GLN 20 14.709 11.830 9.231 751 HB2 GLN 20 HB2 GLN 20 16.747 13.287 7.598 752 HB3 GLN 20 HB1 GLN 20 15.490 14.199 8.423 753 HG2 GLN 20 HG2 GLN 20 17.314 12.244 9.791 754 HG3 GLN 20 HG1 GLN 20 17.614 13.979 9.698 755 HE21 GLN 20 HE21 GLN 20 15.681 11.475 11.119 756 HE22 GLN 20 HE22 GLN 20 14.896 12.469 12.303 757 H THR 21 HN THR 21 13.442 10.578 7.145 758 HA THR 21 HA THR 21 11.673 12.722 6.234 759 HB THR 21 HB THR 21 13.265 12.111 4.375 760 HG1 THR 21 HG1 THR 21 11.614 12.136 2.849 761 HG21 THR 21 HG21 THR 21 13.384 9.684 4.904 762 HG22 THR 21 HG22 THR 21 12.998 10.013 3.215 763 HG23 THR 21 HG23 THR 21 11.725 9.514 4.329 764 H THR 22 HN THR 22 9.779 11.259 4.919 765 HA THR 22 HA THR 22 8.873 9.421 7.036 766 HB THR 22 HB THR 22 6.576 9.844 6.121 767 HG1 THR 22 HG1 THR 22 7.869 11.974 4.731 768 HG21 THR 22 HG21 THR 22 6.339 12.060 7.133 769 HG22 THR 22 HG22 THR 22 8.087 12.280 7.073 770 HG23 THR 22 HG23 THR 22 7.391 11.030 8.104 771 H ILE 23 HN ILE 23 7.221 7.776 6.173 772 HA ILE 23 HA ILE 23 8.563 6.129 4.262 773 HB ILE 23 HB ILE 23 5.764 5.516 5.098 774 HG12 ILE 23 HG12 ILE 23 7.232 4.438 7.154 775 HG13 ILE 23 HG11 ILE 23 7.997 6.010 6.947 776 HG21 ILE 23 HG21 ILE 23 6.616 3.251 5.195 777 HG22 ILE 23 HG22 ILE 23 8.262 3.830 4.937 778 HG23 ILE 23 HG23 ILE 23 7.059 3.991 3.658 779 HD11 ILE 23 HD11 ILE 23 5.070 5.516 7.452 780 HD12 ILE 23 HD12 ILE 23 5.817 7.095 7.213 781 HD13 ILE 23 HD13 ILE 23 6.249 6.118 8.617 782 H HIS 24 HN HIS 24 6.756 8.774 3.774 783 HA HIS 24 HA HIS 24 5.393 7.733 1.387 784 HB2 HIS 24 HB2 HIS 24 5.024 10.554 2.318 785 HB3 HIS 24 HB1 HIS 24 3.875 9.486 1.524 786 HD1 HIS 24 HD1 HIS 24 3.064 7.397 3.238 787 HD2 HIS 24 HD2 HIS 24 4.546 10.897 4.924 788 HE1 HIS 24 HE1 HIS 24 2.249 7.439 5.631 789 H ASP 25 HN ASP 25 8.250 9.037 2.269 790 HA ASP 25 HA ASP 25 8.574 10.456 -0.295 791 HB2 ASP 25 HB2 ASP 25 8.666 11.963 1.656 792 HB3 ASP 25 HB1 ASP 25 9.984 11.009 2.323 793 H ILE 26 HN ILE 26 9.700 7.969 1.786 794 HA ILE 26 HA ILE 26 12.345 7.722 0.800 795 HB ILE 26 HB ILE 26 11.782 6.713 2.908 796 HG12 ILE 26 HG12 ILE 26 12.352 4.540 0.879 797 HG13 ILE 26 HG11 ILE 26 13.552 5.638 1.553 798 HG21 ILE 26 HG21 ILE 26 10.242 4.898 3.179 799 HG22 ILE 26 HG22 ILE 26 9.954 4.824 1.439 800 HG23 ILE 26 HG23 ILE 26 9.413 6.227 2.365 801 HD11 ILE 26 HD11 ILE 26 13.477 3.352 2.564 802 HD12 ILE 26 HD12 ILE 26 11.903 3.778 3.235 803 HD13 ILE 26 HD13 ILE 26 13.338 4.687 3.707 804 H ILE 27 HN ILE 27 13.068 6.942 -1.060 805 HA ILE 27 HA ILE 27 11.330 5.177 -2.643 806 HB ILE 27 HB ILE 27 12.932 7.533 -3.654 807 HG12 ILE 27 HG12 ILE 27 10.684 8.043 -2.739 808 HG13 ILE 27 HG11 ILE 27 10.796 8.374 -4.463 809 HG21 ILE 27 HG21 ILE 27 12.144 6.876 -5.912 810 HG22 ILE 27 HG22 ILE 27 11.554 5.362 -5.226 811 HG23 ILE 27 HG23 ILE 27 13.279 5.730 -5.198 812 HD11 ILE 27 HD11 ILE 27 9.690 6.187 -4.883 813 HD12 ILE 27 HD12 ILE 27 8.691 7.353 -4.013 814 HD13 ILE 27 HD13 ILE 27 9.459 6.027 -3.140 815 H LEU 28 HN LEU 28 12.283 3.352 -3.225 816 HA LEU 28 HA LEU 28 15.226 3.212 -3.207 817 HB2 LEU 28 HB2 LEU 28 13.158 1.428 -2.072 818 HB3 LEU 28 HB1 LEU 28 14.471 0.625 -2.910 819 HG LEU 28 HG LEU 28 16.060 1.923 -1.417 820 HD11 LEU 28 HD11 LEU 28 15.149 2.749 0.694 821 HD12 LEU 28 HD12 LEU 28 13.514 2.435 0.112 822 HD13 LEU 28 HD13 LEU 28 14.514 3.652 -0.683 823 HD21 LEU 28 HD21 LEU 28 15.665 0.405 0.517 824 HD22 LEU 28 HD22 LEU 28 15.681 -0.412 -1.046 825 HD23 LEU 28 HD23 LEU 28 14.148 -0.084 -0.237 826 H GLU 29 HN GLU 29 16.124 1.575 -4.706 827 HA GLU 29 HA GLU 29 14.464 1.411 -7.127 828 HB2 GLU 29 HB2 GLU 29 16.929 1.016 -8.113 829 HB3 GLU 29 HB1 GLU 29 16.204 2.606 -7.946 830 HG2 GLU 29 HG2 GLU 29 17.329 2.759 -5.699 831 HG3 GLU 29 HG1 GLU 29 18.216 1.299 -6.141 832 H CYS 30 HN CYS 30 14.786 -0.438 -8.515 833 HA CYS 30 HA CYS 30 14.631 -2.881 -7.094 834 HB2 CYS 30 HB2 CYS 30 13.388 -2.553 -9.154 835 HB3 CYS 30 HB1 CYS 30 14.879 -2.321 -10.056 836 H VAL 31 HN VAL 31 16.059 -4.530 -6.890 837 HA VAL 31 HA VAL 31 18.831 -3.878 -6.993 838 HB VAL 31 HB VAL 31 17.903 -5.313 -5.237 839 HG11 VAL 31 HG11 VAL 31 17.331 -7.663 -5.745 840 HG12 VAL 31 HG12 VAL 31 17.442 -7.285 -7.464 841 HG13 VAL 31 HG13 VAL 31 16.218 -6.501 -6.464 842 HG21 VAL 31 HG21 VAL 31 19.937 -6.745 -6.941 843 HG22 VAL 31 HG22 VAL 31 19.630 -7.036 -5.229 844 HG23 VAL 31 HG23 VAL 31 20.280 -5.485 -5.756 845 H TYR 32 HN TYR 32 16.649 -5.363 -9.218 846 HA TYR 32 HA TYR 32 18.918 -6.382 -10.784 847 HB2 TYR 32 HB2 TYR 32 15.985 -7.073 -10.997 848 HB3 TYR 32 HB1 TYR 32 17.257 -7.732 -12.021 849 HD1 TYR 32 HD2 TYR 32 19.304 -8.751 -10.577 850 HD2 TYR 32 HD1 TYR 32 15.275 -8.403 -9.263 851 HE1 TYR 32 HE2 TYR 32 19.689 -10.546 -8.942 852 HE2 TYR 32 HE1 TYR 32 15.647 -10.196 -7.622 853 HH TYR 32 HH TYR 32 17.165 -12.108 -7.293 854 H CYS 33 HN CYS 33 15.948 -4.465 -11.078 855 HA CYS 33 HA CYS 33 16.592 -3.727 -13.806 856 HB2 CYS 33 HB2 CYS 33 14.407 -2.596 -12.064 857 HB3 CYS 33 HB1 CYS 33 14.483 -2.605 -13.822 858 H LYS 34 HN LYS 34 17.148 -2.482 -10.656 859 HA LYS 34 HA LYS 34 18.164 -0.618 -9.860 860 HB2 LYS 34 HB2 LYS 34 19.043 -0.364 -12.742 861 HB3 LYS 34 HB1 LYS 34 19.593 0.715 -11.470 862 HG2 LYS 34 HG2 LYS 34 21.290 -0.719 -11.254 863 HG3 LYS 34 HG1 LYS 34 20.130 -1.732 -10.391 864 HD2 LYS 34 HD2 LYS 34 19.637 -2.977 -12.374 865 HD3 LYS 34 HD1 LYS 34 20.583 -1.870 -13.371 866 HE2 LYS 34 HE2 LYS 34 22.620 -2.563 -12.274 867 HE3 LYS 34 HE1 LYS 34 21.713 -3.576 -11.155 868 HZ1 LYS 34 HZ1 LYS 34 22.766 -4.787 -13.031 869 HZ2 LYS 34 HZ2 LYS 34 21.719 -3.991 -14.092 870 HZ3 LYS 34 HZ3 LYS 34 21.098 -5.026 -12.907 871 H GLN 35 HN GLN 35 15.433 -0.591 -11.264 872 HA GLN 35 HA GLN 35 15.173 2.245 -11.898 873 HB2 GLN 35 HB2 GLN 35 13.188 -0.031 -12.081 874 HB3 GLN 35 HB1 GLN 35 12.837 1.631 -12.532 875 HG2 GLN 35 HG2 GLN 35 14.763 -0.270 -13.836 876 HG3 GLN 35 HG1 GLN 35 13.306 0.446 -14.525 877 HE21 GLN 35 HE21 GLN 35 16.645 0.897 -13.789 878 HE22 GLN 35 HE22 GLN 35 16.833 2.437 -14.557 879 H GLN 36 HN GLN 36 13.872 3.644 -10.747 880 HA GLN 36 HA GLN 36 13.683 3.132 -7.950 881 HB2 GLN 36 HB2 GLN 36 12.683 5.434 -9.629 882 HB3 GLN 36 HB1 GLN 36 12.616 5.388 -7.871 883 HG2 GLN 36 HG2 GLN 36 15.044 5.227 -7.770 884 HG3 GLN 36 HG1 GLN 36 15.125 5.253 -9.529 885 HE21 GLN 36 HE21 GLN 36 12.891 7.182 -7.676 886 HE22 GLN 36 HE22 GLN 36 13.615 8.711 -8.022 887 H LEU 37 HN LEU 37 12.031 2.498 -6.751 888 HA LEU 37 HA LEU 37 9.577 1.666 -8.071 889 HB2 LEU 37 HB2 LEU 37 10.885 1.134 -5.446 890 HB3 LEU 37 HB1 LEU 37 9.142 0.975 -5.533 891 HG LEU 37 HG LEU 37 9.513 -0.626 -7.471 892 HD11 LEU 37 HD11 LEU 37 11.807 -0.006 -7.997 893 HD12 LEU 37 HD12 LEU 37 11.695 -1.716 -7.582 894 HD13 LEU 37 HD13 LEU 37 12.331 -0.564 -6.409 895 HD21 LEU 37 HD21 LEU 37 8.828 -1.471 -5.359 896 HD22 LEU 37 HD22 LEU 37 10.443 -1.264 -4.681 897 HD23 LEU 37 HD23 LEU 37 10.156 -2.488 -5.919 898 H LEU 38 HN LEU 38 7.566 2.498 -7.644 899 HA LEU 38 HA LEU 38 7.490 5.181 -6.602 900 HB2 LEU 38 HB2 LEU 38 5.198 3.446 -7.526 901 HB3 LEU 38 HB1 LEU 38 5.167 5.183 -7.295 902 HG LEU 38 HG LEU 38 6.894 3.800 -9.348 903 HD11 LEU 38 HD11 LEU 38 4.171 5.054 -9.615 904 HD12 LEU 38 HD12 LEU 38 4.615 3.379 -9.938 905 HD13 LEU 38 HD13 LEU 38 5.222 4.668 -10.976 906 HD21 LEU 38 HD21 LEU 38 7.037 6.066 -10.316 907 HD22 LEU 38 HD22 LEU 38 7.732 5.975 -8.697 908 HD23 LEU 38 HD23 LEU 38 6.138 6.691 -8.931 909 H ARG 39 HN ARG 39 5.858 5.847 -5.009 910 HA ARG 39 HA ARG 39 6.159 4.642 -2.543 911 HB2 ARG 39 HB2 ARG 39 5.423 6.915 -2.687 912 HB3 ARG 39 HB1 ARG 39 3.984 6.460 -3.587 913 HG2 ARG 39 HG2 ARG 39 3.172 5.257 -1.569 914 HG3 ARG 39 HG1 ARG 39 4.567 5.885 -0.690 915 HD2 ARG 39 HD2 ARG 39 3.792 8.063 -0.751 916 HD3 ARG 39 HD1 ARG 39 2.760 7.763 -2.149 917 HE ARG 39 HE ARG 39 1.649 6.209 -0.246 918 HH11 ARG 39 HH11 ARG 39 2.526 9.597 -0.337 919 HH12 ARG 39 HH12 ARG 39 1.302 10.075 0.794 920 HH21 ARG 39 HH21 ARG 39 0.026 6.828 1.247 921 HH22 ARG 39 HH22 ARG 39 -0.119 8.503 1.691 922 H ARG 40 HN ARG 40 3.681 4.113 -4.966 923 HA ARG 40 HA ARG 40 1.911 2.547 -3.459 924 HB2 ARG 40 HB2 ARG 40 1.367 3.515 -5.660 925 HB3 ARG 40 HB1 ARG 40 2.512 2.424 -6.422 926 HG2 ARG 40 HG2 ARG 40 1.111 0.529 -5.474 927 HG3 ARG 40 HG1 ARG 40 -0.105 1.755 -5.117 928 HD2 ARG 40 HD2 ARG 40 -0.612 0.740 -7.243 929 HD3 ARG 40 HD1 ARG 40 -0.095 2.405 -7.507 930 HE ARG 40 HE ARG 40 2.017 0.427 -7.707 931 HH11 ARG 40 HH11 ARG 40 -0.478 2.179 -9.446 932 HH12 ARG 40 HH12 ARG 40 0.306 2.020 -10.983 933 HH21 ARG 40 HH21 ARG 40 3.037 0.188 -9.727 934 HH22 ARG 40 HH22 ARG 40 2.305 0.886 -11.146 935 H GLU 41 HN GLU 41 4.698 1.650 -5.462 936 HA GLU 41 HA GLU 41 4.378 -1.148 -5.074 937 HB2 GLU 41 HB2 GLU 41 7.004 0.121 -5.782 938 HB3 GLU 41 HB1 GLU 41 6.340 -1.414 -6.319 939 HG2 GLU 41 HG2 GLU 41 5.391 1.319 -7.162 940 HG3 GLU 41 HG1 GLU 41 6.387 0.228 -8.116 941 H VAL 42 HN VAL 42 6.155 1.388 -3.426 942 HA VAL 42 HA VAL 42 7.802 -0.220 -1.814 943 HB VAL 42 HB VAL 42 6.632 2.514 -1.249 944 HG11 VAL 42 HG11 VAL 42 8.358 2.769 0.444 945 HG12 VAL 42 HG12 VAL 42 8.919 1.125 0.144 946 HG13 VAL 42 HG13 VAL 42 7.318 1.397 0.828 947 HG21 VAL 42 HG21 VAL 42 8.833 3.336 -1.930 948 HG22 VAL 42 HG22 VAL 42 8.056 2.436 -3.230 949 HG23 VAL 42 HG23 VAL 42 9.342 1.687 -2.283 950 H TYR 43 HN TYR 43 4.490 0.944 -1.404 951 HA TYR 43 HA TYR 43 4.192 -0.145 1.227 952 HB2 TYR 43 HB2 TYR 43 2.193 0.912 -0.777 953 HB3 TYR 43 HB1 TYR 43 1.734 0.319 0.817 954 HD1 TYR 43 HD1 TYR 43 4.870 1.701 1.242 955 HD2 TYR 43 HD2 TYR 43 0.839 2.885 0.564 956 HE1 TYR 43 HE1 TYR 43 5.366 3.903 2.197 957 HE2 TYR 43 HE2 TYR 43 1.330 5.099 1.520 958 HH TYR 43 HH TYR 43 4.612 6.036 2.372 959 H ASP 44 HN ASP 44 3.584 -1.256 -2.028 960 HA ASP 44 HA ASP 44 2.070 -3.557 -1.353 961 HB2 ASP 44 HB2 ASP 44 2.193 -2.593 -3.653 962 HB3 ASP 44 HB1 ASP 44 3.869 -3.119 -3.759 963 H PHE 45 HN PHE 45 5.466 -2.825 -1.594 964 HA PHE 45 HA PHE 45 6.527 -5.427 -1.380 965 HB2 PHE 45 HB2 PHE 45 7.757 -3.371 -2.105 966 HB3 PHE 45 HB1 PHE 45 7.725 -2.806 -0.442 967 HD1 PHE 45 HD2 PHE 45 9.137 -3.828 1.250 968 HD2 PHE 45 HD1 PHE 45 9.237 -5.139 -2.797 969 HE1 PHE 45 HE2 PHE 45 11.257 -4.994 1.684 970 HE2 PHE 45 HE1 PHE 45 11.362 -6.307 -2.369 971 HZ PHE 45 HZ PHE 45 12.373 -6.234 -0.126 972 H ALA 46 HN ALA 46 5.754 -2.951 1.033 973 HA ALA 46 HA ALA 46 6.590 -4.578 3.255 974 HB1 ALA 46 HB1 ALA 46 6.709 -2.078 3.215 975 HB2 ALA 46 HB2 ALA 46 5.918 -2.755 4.639 976 HB3 ALA 46 HB3 ALA 46 4.949 -2.052 3.342 977 H PHE 47 HN PHE 47 3.798 -4.398 1.363 978 HA PHE 47 HA PHE 47 1.803 -4.968 3.287 979 HB2 PHE 47 HB2 PHE 47 1.793 -4.357 0.631 980 HB3 PHE 47 HB1 PHE 47 1.418 -6.074 0.581 981 HD1 PHE 47 HD1 PHE 47 0.292 -2.790 1.775 982 HD2 PHE 47 HD2 PHE 47 -0.678 -6.909 1.341 983 HE1 PHE 47 HE1 PHE 47 -2.060 -2.286 2.304 984 HE2 PHE 47 HE2 PHE 47 -3.029 -6.416 1.867 985 HZ PHE 47 HZ PHE 47 -3.722 -4.102 2.348 986 H ARG 48 HN ARG 48 4.050 -6.954 1.484 987 HA ARG 48 HA ARG 48 2.954 -9.336 2.834 988 HB2 ARG 48 HB2 ARG 48 4.535 -9.194 0.258 989 HB3 ARG 48 HB1 ARG 48 3.976 -10.670 1.030 990 HG2 ARG 48 HG2 ARG 48 1.702 -10.122 0.615 991 HG3 ARG 48 HG1 ARG 48 2.131 -8.493 0.084 992 HD2 ARG 48 HD2 ARG 48 3.605 -9.823 -1.653 993 HD3 ARG 48 HD1 ARG 48 2.434 -11.100 -1.324 994 HE ARG 48 HE ARG 48 0.793 -9.855 -2.373 995 HH11 ARG 48 HH11 ARG 48 3.781 -8.041 -2.176 996 HH12 ARG 48 HH12 ARG 48 3.221 -6.755 -3.206 997 HH21 ARG 48 HH21 ARG 48 0.058 -8.157 -3.718 998 HH22 ARG 48 HH22 ARG 48 1.099 -6.798 -4.036 999 H ASP 49 HN ASP 49 4.907 -11.089 2.793 1000 HA ASP 49 HA ASP 49 6.930 -9.860 4.473 1001 HB2 ASP 49 HB2 ASP 49 5.754 -12.038 5.055 1002 HB3 ASP 49 HB1 ASP 49 6.696 -12.787 3.768 1003 H LEU 50 HN LEU 50 8.064 -8.688 2.879 1004 HA LEU 50 HA LEU 50 9.767 -10.372 1.168 1005 HB2 LEU 50 HB2 LEU 50 8.663 -7.614 0.718 1006 HB3 LEU 50 HB1 LEU 50 10.114 -8.150 -0.110 1007 HG LEU 50 HG LEU 50 8.401 -10.213 -0.628 1008 HD11 LEU 50 HD11 LEU 50 6.776 -7.679 -0.728 1009 HD12 LEU 50 HD12 LEU 50 6.535 -9.012 0.401 1010 HD13 LEU 50 HD13 LEU 50 6.285 -9.265 -1.328 1011 HD21 LEU 50 HD21 LEU 50 8.858 -7.701 -2.229 1012 HD22 LEU 50 HD22 LEU 50 8.210 -9.211 -2.868 1013 HD23 LEU 50 HD23 LEU 50 9.858 -9.155 -2.240 1014 H CYS 51 HN CYS 51 11.987 -9.794 1.035 1015 HA CYS 51 HA CYS 51 12.909 -8.378 3.435 1016 HB2 CYS 51 HB2 CYS 51 15.104 -9.679 2.679 1017 HB3 CYS 51 HB1 CYS 51 13.845 -10.464 3.626 1018 HG CYS 51 HG CYS 51 14.021 -12.457 1.982 1019 H ILE 52 HN ILE 52 14.600 -6.885 3.307 1020 HA ILE 52 HA ILE 52 14.729 -5.443 0.817 1021 HB ILE 52 HB ILE 52 16.175 -4.947 3.428 1022 HG12 ILE 52 HG12 ILE 52 13.739 -3.567 2.279 1023 HG13 ILE 52 HG11 ILE 52 13.697 -4.772 3.563 1024 HG21 ILE 52 HG21 ILE 52 15.924 -3.238 0.962 1025 HG22 ILE 52 HG22 ILE 52 17.399 -3.936 1.632 1026 HG23 ILE 52 HG23 ILE 52 16.544 -2.668 2.512 1027 HD11 ILE 52 HD11 ILE 52 13.520 -2.530 4.465 1028 HD12 ILE 52 HD12 ILE 52 15.046 -2.083 3.702 1029 HD13 ILE 52 HD13 ILE 52 15.021 -3.295 4.983 1030 H VAL 53 HN VAL 53 16.188 -5.769 -0.714 1031 HA VAL 53 HA VAL 53 18.416 -7.572 -0.217 1032 HB VAL 53 HB VAL 53 18.719 -7.057 -2.814 1033 HG11 VAL 53 HG11 VAL 53 17.263 -8.988 -3.282 1034 HG12 VAL 53 HG12 VAL 53 16.602 -8.864 -1.652 1035 HG13 VAL 53 HG13 VAL 53 18.307 -9.253 -1.884 1036 HG21 VAL 53 HG21 VAL 53 15.779 -6.560 -2.360 1037 HG22 VAL 53 HG22 VAL 53 16.585 -6.704 -3.922 1038 HG23 VAL 53 HG23 VAL 53 16.952 -5.344 -2.861 1039 H TYR 54 HN TYR 54 20.513 -6.990 -0.240 1040 HA TYR 54 HA TYR 54 21.062 -4.118 -0.464 1041 HB2 TYR 54 HB2 TYR 54 22.369 -6.339 1.075 1042 HB3 TYR 54 HB1 TYR 54 23.253 -4.860 0.719 1043 HD1 TYR 54 HD2 TYR 54 20.354 -6.263 2.515 1044 HD2 TYR 54 HD1 TYR 54 22.775 -2.823 1.876 1045 HE1 TYR 54 HE2 TYR 54 19.329 -5.183 4.473 1046 HE2 TYR 54 HE1 TYR 54 21.759 -1.734 3.831 1047 HH TYR 54 HH TYR 54 19.403 -2.025 5.098 1048 H ARG 55 HN ARG 55 21.785 -3.561 -2.402 1049 HA ARG 55 HA ARG 55 23.411 -5.439 -3.940 1050 HB2 ARG 55 HB2 ARG 55 21.470 -4.010 -4.909 1051 HB3 ARG 55 HB1 ARG 55 22.610 -2.675 -4.840 1052 HG2 ARG 55 HG2 ARG 55 23.408 -5.195 -6.225 1053 HG3 ARG 55 HG1 ARG 55 22.311 -4.077 -7.031 1054 HD2 ARG 55 HD2 ARG 55 25.054 -3.407 -5.963 1055 HD3 ARG 55 HD1 ARG 55 24.638 -3.658 -7.657 1056 HE ARG 55 HE ARG 55 22.960 -1.668 -6.836 1057 HH11 ARG 55 HH11 ARG 55 26.432 -2.114 -6.821 1058 HH12 ARG 55 HH12 ARG 55 26.766 -0.415 -6.993 1059 HH21 ARG 55 HH21 ARG 55 23.399 0.563 -7.040 1060 HH22 ARG 55 HH22 ARG 55 25.053 1.104 -7.099 1061 H ASP 56 HN ASP 56 25.487 -5.435 -3.485 1062 HA ASP 56 HA ASP 56 27.634 -4.763 -3.200 1063 HB2 ASP 56 HB2 ASP 56 26.412 -2.274 -4.264 1064 HB3 ASP 56 HB1 ASP 56 27.950 -2.105 -3.425 1065 H GLY 57 HN GLY 57 25.900 -1.935 -1.978 1066 HA2 GLY 57 HA2 GLY 57 26.225 -2.693 0.775 1067 HA3 GLY 57 HA1 GLY 57 27.333 -1.417 0.282 1068 H ASN 58 HN ASN 58 24.363 -1.535 -1.386 1069 HA ASN 58 HA ASN 58 23.333 0.686 0.250 1070 HB2 ASN 58 HB2 ASN 58 23.953 0.582 -2.569 1071 HB3 ASN 58 HB1 ASN 58 22.237 0.890 -2.341 1072 HD21 ASN 58 HD21 ASN 58 25.403 2.150 -2.138 1073 HD22 ASN 58 HD22 ASN 58 24.982 3.741 -1.611 1074 HA PRO 59 HA PRO 59 19.693 -1.812 0.657 1075 HB2 PRO 59 HB2 PRO 59 18.090 0.606 1.019 1076 HB3 PRO 59 HB1 PRO 59 18.526 -0.629 2.211 1077 HG2 PRO 59 HG2 PRO 59 19.499 1.882 2.288 1078 HG3 PRO 59 HG1 PRO 59 20.396 0.472 2.884 1079 HD2 PRO 59 HD2 PRO 59 20.718 1.957 0.313 1080 HD3 PRO 59 HD1 PRO 59 21.954 1.261 1.381 1081 H TYR 60 HN TYR 60 18.646 -2.708 -0.987 1082 HA TYR 60 HA TYR 60 17.428 -0.960 -3.017 1083 HB2 TYR 60 HB2 TYR 60 19.099 -3.414 -3.306 1084 HB3 TYR 60 HB1 TYR 60 17.776 -3.188 -4.444 1085 HD1 TYR 60 HD1 TYR 60 20.689 -1.327 -3.016 1086 HD2 TYR 60 HD2 TYR 60 18.166 -1.991 -6.371 1087 HE1 TYR 60 HE1 TYR 60 22.095 0.168 -4.365 1088 HE2 TYR 60 HE2 TYR 60 19.569 -0.499 -7.728 1089 HH TYR 60 HH TYR 60 21.141 1.474 -7.246 1090 H ALA 61 HN ALA 61 15.658 -2.140 -4.236 1091 HA ALA 61 HA ALA 61 14.178 -3.908 -2.402 1092 HB1 ALA 61 HB1 ALA 61 12.981 -1.660 -4.025 1093 HB2 ALA 61 HB2 ALA 61 13.258 -1.633 -2.285 1094 HB3 ALA 61 HB3 ALA 61 12.104 -2.773 -2.976 1095 H VAL 62 HN VAL 62 12.154 -4.761 -3.727 1096 HA VAL 62 HA VAL 62 13.191 -5.778 -6.292 1097 HB VAL 62 HB VAL 62 11.145 -7.107 -4.498 1098 HG11 VAL 62 HG11 VAL 62 11.525 -9.068 -5.902 1099 HG12 VAL 62 HG12 VAL 62 12.666 -8.150 -6.883 1100 HG13 VAL 62 HG13 VAL 62 10.963 -7.696 -6.857 1101 HG21 VAL 62 HG21 VAL 62 13.322 -7.039 -3.379 1102 HG22 VAL 62 HG22 VAL 62 14.077 -7.765 -4.800 1103 HG23 VAL 62 HG23 VAL 62 12.897 -8.684 -3.861 1104 H CYS 63 HN CYS 63 12.078 -5.125 -8.045 1105 HA CYS 63 HA CYS 63 9.754 -3.496 -7.755 1106 HB2 CYS 63 HB2 CYS 63 9.806 -3.344 -10.202 1107 HB3 CYS 63 HB1 CYS 63 11.402 -3.059 -9.515 1108 H ASP 64 HN ASP 64 7.901 -3.920 -9.357 1109 HA ASP 64 HA ASP 64 6.533 -6.244 -8.485 1110 HB2 ASP 64 HB2 ASP 64 5.556 -3.965 -9.152 1111 HB3 ASP 64 HB1 ASP 64 5.718 -4.515 -10.816 1112 H LYS 65 HN LYS 65 8.703 -5.662 -11.026 1113 HA LYS 65 HA LYS 65 7.711 -7.705 -12.817 1114 HB2 LYS 65 HB2 LYS 65 10.407 -6.338 -12.868 1115 HB3 LYS 65 HB1 LYS 65 9.625 -7.195 -14.188 1116 HG2 LYS 65 HG2 LYS 65 8.310 -5.446 -14.730 1117 HG3 LYS 65 HG1 LYS 65 8.141 -4.908 -13.057 1118 HD2 LYS 65 HD2 LYS 65 9.412 -3.290 -14.372 1119 HD3 LYS 65 HD1 LYS 65 10.418 -4.014 -13.118 1120 HE2 LYS 65 HE2 LYS 65 11.231 -5.633 -14.878 1121 HE3 LYS 65 HE1 LYS 65 10.415 -4.620 -16.068 1122 HZ1 LYS 65 HZ1 LYS 65 12.659 -3.933 -15.985 1123 HZ2 LYS 65 HZ2 LYS 65 12.669 -3.869 -14.291 1124 HZ3 LYS 65 HZ3 LYS 65 11.773 -2.738 -15.184 1125 H CYS 66 HN CYS 66 10.662 -7.272 -10.855 1126 HA CYS 66 HA CYS 66 11.556 -9.946 -11.232 1127 HB2 CYS 66 HB2 CYS 66 12.363 -8.025 -9.047 1128 HB3 CYS 66 HB1 CYS 66 13.289 -9.392 -9.659 1129 H LEU 67 HN LEU 67 9.295 -8.508 -9.120 1130 HA LEU 67 HA LEU 67 9.373 -10.028 -6.845 1131 HB2 LEU 67 HB2 LEU 67 7.851 -8.103 -7.439 1132 HB3 LEU 67 HB1 LEU 67 6.835 -9.272 -8.259 1133 HG LEU 67 HG LEU 67 7.395 -10.129 -5.560 1134 HD11 LEU 67 HD11 LEU 67 6.085 -7.429 -5.889 1135 HD12 LEU 67 HD12 LEU 67 7.631 -7.745 -5.103 1136 HD13 LEU 67 HD13 LEU 67 6.141 -8.374 -4.400 1137 HD21 LEU 67 HD21 LEU 67 5.595 -10.980 -6.968 1138 HD22 LEU 67 HD22 LEU 67 4.853 -9.379 -7.001 1139 HD23 LEU 67 HD23 LEU 67 4.958 -10.272 -5.483 1140 H LYS 68 HN LYS 68 7.843 -10.919 -9.936 1141 HA LYS 68 HA LYS 68 6.919 -13.428 -8.843 1142 HB2 LYS 68 HB2 LYS 68 6.228 -13.893 -11.235 1143 HB3 LYS 68 HB1 LYS 68 5.449 -12.543 -10.430 1144 HG2 LYS 68 HG2 LYS 68 7.789 -11.647 -11.838 1145 HG3 LYS 68 HG1 LYS 68 6.708 -12.539 -12.915 1146 HD2 LYS 68 HD2 LYS 68 4.826 -11.122 -11.998 1147 HD3 LYS 68 HD1 LYS 68 6.064 -10.132 -11.223 1148 HE2 LYS 68 HE2 LYS 68 5.567 -9.027 -13.233 1149 HE3 LYS 68 HE1 LYS 68 7.083 -9.871 -13.541 1150 HZ1 LYS 68 HZ1 LYS 68 5.327 -10.020 -15.319 1151 HZ2 LYS 68 HZ2 LYS 68 4.450 -11.018 -14.277 1152 HZ3 LYS 68 HZ3 LYS 68 5.981 -11.494 -14.813 1153 H PHE 69 HN PHE 69 9.760 -12.307 -10.402 1154 HA PHE 69 HA PHE 69 10.537 -14.863 -11.457 1155 HB2 PHE 69 HB2 PHE 69 11.888 -12.196 -11.204 1156 HB3 PHE 69 HB1 PHE 69 12.838 -13.628 -11.582 1157 HD1 PHE 69 HD2 PHE 69 12.358 -14.915 -13.656 1158 HD2 PHE 69 HD1 PHE 69 10.534 -11.154 -12.837 1159 HE1 PHE 69 HE2 PHE 69 11.772 -14.683 -16.031 1160 HE2 PHE 69 HE1 PHE 69 9.946 -10.919 -15.214 1161 HZ PHE 69 HZ PHE 69 10.564 -12.684 -16.813 1162 H TYR 70 HN TYR 70 11.330 -12.962 -8.584 1163 HA TYR 70 HA TYR 70 12.646 -15.355 -7.476 1164 HB2 TYR 70 HB2 TYR 70 13.484 -12.462 -7.253 1165 HB3 TYR 70 HB1 TYR 70 14.106 -13.720 -6.189 1166 HD1 TYR 70 HD2 TYR 70 15.341 -15.685 -7.251 1167 HD2 TYR 70 HD1 TYR 70 14.427 -12.116 -9.375 1168 HE1 TYR 70 HE2 TYR 70 17.058 -16.242 -8.920 1169 HE2 TYR 70 HE1 TYR 70 16.142 -12.666 -11.050 1170 HH TYR 70 HH TYR 70 18.531 -14.528 -10.679 Start of MODEL 17 1 H MET 1 HT1 MET 1 -22.960 -3.282 -6.155 2 HA MET 1 HA MET 1 -24.804 -3.093 -4.700 3 HB2 MET 1 HB2 MET 1 -26.648 -4.615 -4.713 4 HB3 MET 1 HB1 MET 1 -26.442 -4.044 -6.362 5 HG2 MET 1 HG2 MET 1 -25.110 -6.162 -6.775 6 HG3 MET 1 HG1 MET 1 -25.720 -6.723 -5.222 7 HE1 MET 1 HE1 MET 1 -29.611 -6.693 -5.900 8 HE2 MET 1 HE2 MET 1 -28.633 -5.388 -5.231 9 HE3 MET 1 HE3 MET 1 -28.360 -7.052 -4.714 10 H PHE 2 HN PHE 2 -25.017 -4.356 -2.704 11 HA PHE 2 HA PHE 2 -23.218 -6.648 -2.516 12 HB2 PHE 2 HB2 PHE 2 -22.559 -4.035 -1.578 13 HB3 PHE 2 HB1 PHE 2 -22.791 -5.085 -0.185 14 HD1 PHE 2 HD1 PHE 2 -20.942 -4.771 -3.379 15 HD2 PHE 2 HD2 PHE 2 -21.147 -6.628 0.441 16 HE1 PHE 2 HE1 PHE 2 -18.690 -5.703 -3.718 17 HE2 PHE 2 HE2 PHE 2 -18.896 -7.564 0.113 18 HZ PHE 2 HZ PHE 2 -17.662 -7.103 -1.970 19 H GLN 3 HN GLN 3 -24.550 -8.164 -1.862 20 HA GLN 3 HA GLN 3 -26.100 -7.740 0.588 21 HB2 GLN 3 HB2 GLN 3 -27.764 -9.394 -0.831 22 HB3 GLN 3 HB1 GLN 3 -28.001 -7.666 -0.625 23 HG2 GLN 3 HG2 GLN 3 -28.295 -8.238 -2.931 24 HG3 GLN 3 HG1 GLN 3 -26.821 -7.287 -2.765 25 HE21 GLN 3 HE21 GLN 3 -28.165 -10.407 -3.492 26 HE22 GLN 3 HE22 GLN 3 -26.715 -11.099 -4.135 27 H ASP 4 HN ASP 4 -27.297 -10.217 0.725 28 HA ASP 4 HA ASP 4 -25.464 -11.865 1.892 29 HB2 ASP 4 HB2 ASP 4 -27.864 -12.178 2.116 30 HB3 ASP 4 HB1 ASP 4 -27.995 -12.632 0.422 31 HA PRO 5 HA PRO 5 -24.807 -13.783 2.308 32 HB2 PRO 5 HB2 PRO 5 -22.552 -15.212 2.402 33 HB3 PRO 5 HB1 PRO 5 -24.025 -15.871 1.663 34 HG2 PRO 5 HG2 PRO 5 -21.597 -14.769 0.359 35 HG3 PRO 5 HG1 PRO 5 -22.618 -16.139 -0.118 36 HD2 PRO 5 HD2 PRO 5 -22.758 -13.570 -1.186 37 HD3 PRO 5 HD1 PRO 5 -24.012 -14.817 -1.318 38 H GLN 6 HN GLN 6 -23.114 -11.526 0.684 39 HA GLN 6 HA GLN 6 -20.899 -11.113 2.463 40 HB2 GLN 6 HB2 GLN 6 -22.144 -9.312 0.375 41 HB3 GLN 6 HB1 GLN 6 -20.663 -8.942 1.248 42 HG2 GLN 6 HG2 GLN 6 -19.538 -9.991 -0.340 43 HG3 GLN 6 HG1 GLN 6 -20.282 -11.497 0.190 44 HE21 GLN 6 HE21 GLN 6 -21.937 -8.788 -1.325 45 HE22 GLN 6 HE22 GLN 6 -22.365 -9.626 -2.775 46 H GLU 7 HN GLU 7 -20.845 -9.978 4.318 47 HA GLU 7 HA GLU 7 -23.373 -8.853 5.250 48 HB2 GLU 7 HB2 GLU 7 -21.879 -10.453 6.611 49 HB3 GLU 7 HB1 GLU 7 -20.857 -9.047 6.882 50 HG2 GLU 7 HG2 GLU 7 -22.532 -9.556 8.686 51 HG3 GLU 7 HG1 GLU 7 -22.549 -7.909 8.059 52 H ARG 8 HN ARG 8 -20.379 -7.856 3.970 53 HA ARG 8 HA ARG 8 -19.596 -5.814 3.364 54 HB2 ARG 8 HB2 ARG 8 -22.170 -4.705 4.495 55 HB3 ARG 8 HB1 ARG 8 -21.030 -3.839 3.475 56 HG2 ARG 8 HG2 ARG 8 -21.832 -4.751 1.599 57 HG3 ARG 8 HG1 ARG 8 -21.992 -6.351 2.328 58 HD2 ARG 8 HD2 ARG 8 -23.881 -4.038 2.767 59 HD3 ARG 8 HD1 ARG 8 -24.167 -5.387 1.668 60 HE ARG 8 HE ARG 8 -23.671 -6.026 4.475 61 HH11 ARG 8 HH11 ARG 8 -25.975 -5.678 1.860 62 HH12 ARG 8 HH12 ARG 8 -27.228 -6.559 2.676 63 HH21 ARG 8 HH21 ARG 8 -25.312 -7.228 5.540 64 HH22 ARG 8 HH22 ARG 8 -26.847 -7.444 4.749 65 HA PRO 9 HA PRO 9 -18.150 -5.073 7.666 66 HB2 PRO 9 HB2 PRO 9 -15.512 -5.382 7.130 67 HB3 PRO 9 HB1 PRO 9 -16.581 -6.761 7.446 68 HG2 PRO 9 HG2 PRO 9 -15.545 -5.737 4.860 69 HG3 PRO 9 HG1 PRO 9 -15.797 -7.408 5.400 70 HD2 PRO 9 HD2 PRO 9 -17.513 -6.047 3.749 71 HD3 PRO 9 HD1 PRO 9 -17.984 -7.414 4.776 72 H ARG 10 HN ARG 10 -16.785 -3.307 8.473 73 HA ARG 10 HA ARG 10 -16.877 -1.044 6.627 74 HB2 ARG 10 HB2 ARG 10 -16.812 -1.340 9.582 75 HB3 ARG 10 HB1 ARG 10 -16.171 0.141 8.892 76 HG2 ARG 10 HG2 ARG 10 -18.462 0.494 9.480 77 HG3 ARG 10 HG1 ARG 10 -18.328 0.478 7.723 78 HD2 ARG 10 HD2 ARG 10 -19.214 -1.746 7.611 79 HD3 ARG 10 HD1 ARG 10 -19.147 -1.911 9.365 80 HE ARG 10 HE ARG 10 -20.790 0.115 9.210 81 HH11 ARG 10 HH11 ARG 10 -20.711 -2.722 7.153 82 HH12 ARG 10 HH12 ARG 10 -22.414 -2.690 6.840 83 HH21 ARG 10 HH21 ARG 10 -23.036 0.150 8.789 84 HH22 ARG 10 HH22 ARG 10 -23.732 -1.048 7.745 85 H LYS 11 HN LYS 11 -14.639 -3.285 7.204 86 HA LYS 11 HA LYS 11 -12.420 -1.359 7.053 87 HB2 LYS 11 HB2 LYS 11 -12.601 -4.051 8.350 88 HB3 LYS 11 HB1 LYS 11 -11.049 -3.500 7.733 89 HG2 LYS 11 HG2 LYS 11 -12.741 -2.023 9.751 90 HG3 LYS 11 HG1 LYS 11 -11.331 -3.015 10.125 91 HD2 LYS 11 HD2 LYS 11 -9.951 -1.514 8.710 92 HD3 LYS 11 HD1 LYS 11 -11.367 -0.490 8.463 93 HE2 LYS 11 HE2 LYS 11 -11.488 -0.086 10.880 94 HE3 LYS 11 HE1 LYS 11 -10.076 -1.115 11.122 95 HZ1 LYS 11 HZ1 LYS 11 -8.761 0.431 9.831 96 HZ2 LYS 11 HZ2 LYS 11 -9.496 1.245 11.118 97 HZ3 LYS 11 HZ3 LYS 11 -10.113 1.410 9.545 98 H LEU 12 HN LEU 12 -11.045 -1.457 5.393 99 HA LEU 12 HA LEU 12 -11.857 -2.518 2.971 100 HB2 LEU 12 HB2 LEU 12 -10.316 -0.612 3.278 101 HB3 LEU 12 HB1 LEU 12 -9.053 -1.739 3.731 102 HG LEU 12 HG LEU 12 -9.316 -2.794 1.452 103 HD11 LEU 12 HD11 LEU 12 -10.948 -0.306 0.965 104 HD12 LEU 12 HD12 LEU 12 -11.521 -1.973 0.892 105 HD13 LEU 12 HD13 LEU 12 -10.347 -1.394 -0.288 106 HD21 LEU 12 HD21 LEU 12 -8.002 -1.065 0.340 107 HD22 LEU 12 HD22 LEU 12 -7.476 -1.295 2.007 108 HD23 LEU 12 HD23 LEU 12 -8.471 0.098 1.580 109 HA PRO 13 HA PRO 13 -8.410 -5.996 3.342 110 HB2 PRO 13 HB2 PRO 13 -8.067 -6.811 5.980 111 HB3 PRO 13 HB1 PRO 13 -6.935 -5.798 5.068 112 HG2 PRO 13 HG2 PRO 13 -9.014 -4.994 7.033 113 HG3 PRO 13 HG1 PRO 13 -7.379 -4.349 6.781 114 HD2 PRO 13 HD2 PRO 13 -9.519 -3.030 5.889 115 HD3 PRO 13 HD1 PRO 13 -8.011 -3.082 4.951 116 H GLN 14 HN GLN 14 -10.998 -5.759 5.729 117 HA GLN 14 HA GLN 14 -11.653 -8.535 5.669 118 HB2 GLN 14 HB2 GLN 14 -12.583 -6.139 7.045 119 HB3 GLN 14 HB1 GLN 14 -13.909 -7.195 6.575 120 HG2 GLN 14 HG2 GLN 14 -13.132 -8.959 7.861 121 HG3 GLN 14 HG1 GLN 14 -11.509 -8.283 7.977 122 HE21 GLN 14 HE21 GLN 14 -11.069 -6.735 9.514 123 HE22 GLN 14 HE22 GLN 14 -12.172 -6.340 10.785 124 H LEU 15 HN LEU 15 -12.831 -5.644 4.035 125 HA LEU 15 HA LEU 15 -15.105 -6.792 2.826 126 HB2 LEU 15 HB2 LEU 15 -14.780 -4.388 2.978 127 HB3 LEU 15 HB1 LEU 15 -13.372 -4.488 1.942 128 HG LEU 15 HG LEU 15 -14.895 -5.314 0.108 129 HD11 LEU 15 HD11 LEU 15 -16.740 -6.072 1.505 130 HD12 LEU 15 HD12 LEU 15 -17.284 -4.860 0.344 131 HD13 LEU 15 HD13 LEU 15 -17.035 -4.414 2.033 132 HD21 LEU 15 HD21 LEU 15 -15.690 -3.103 -0.462 133 HD22 LEU 15 HD22 LEU 15 -14.085 -2.991 0.262 134 HD23 LEU 15 HD23 LEU 15 -15.511 -2.577 1.213 135 H CYS 16 HN CYS 16 -11.726 -6.685 1.906 136 HA CYS 16 HA CYS 16 -11.898 -7.468 -0.756 137 HB2 CYS 16 HB2 CYS 16 -9.746 -8.236 1.229 138 HB3 CYS 16 HB1 CYS 16 -9.592 -8.246 -0.525 139 HG CYS 16 HG CYS 16 -10.249 -5.388 1.230 140 H THR 17 HN THR 17 -12.076 -9.398 2.175 141 HA THR 17 HA THR 17 -11.818 -11.949 1.014 142 HB THR 17 HB THR 17 -13.619 -11.671 3.348 143 HG1 THR 17 HG1 THR 17 -12.321 -10.141 4.119 144 HG21 THR 17 HG21 THR 17 -11.104 -13.263 2.841 145 HG22 THR 17 HG22 THR 17 -12.756 -13.843 2.628 146 HG23 THR 17 HG23 THR 17 -12.165 -13.428 4.239 147 H GLU 18 HN GLU 18 -14.685 -10.018 1.836 148 HA GLU 18 HA GLU 18 -16.556 -11.930 0.875 149 HB2 GLU 18 HB2 GLU 18 -16.902 -8.965 1.368 150 HB3 GLU 18 HB1 GLU 18 -18.206 -10.122 1.133 151 HG2 GLU 18 HG2 GLU 18 -17.135 -11.349 3.150 152 HG3 GLU 18 HG1 GLU 18 -16.372 -9.791 3.463 153 H LEU 19 HN LEU 19 -14.751 -9.352 -0.574 154 HA LEU 19 HA LEU 19 -16.322 -9.315 -3.000 155 HB2 LEU 19 HB2 LEU 19 -14.658 -7.511 -1.773 156 HB3 LEU 19 HB1 LEU 19 -13.644 -8.114 -3.067 157 HG LEU 19 HG LEU 19 -16.408 -7.245 -3.759 158 HD11 LEU 19 HD11 LEU 19 -14.123 -5.354 -3.213 159 HD12 LEU 19 HD12 LEU 19 -15.642 -5.450 -2.323 160 HD13 LEU 19 HD13 LEU 19 -15.639 -4.928 -4.006 161 HD21 LEU 19 HD21 LEU 19 -14.874 -8.255 -5.422 162 HD22 LEU 19 HD22 LEU 19 -13.754 -6.919 -5.156 163 HD23 LEU 19 HD23 LEU 19 -15.353 -6.608 -5.831 164 H GLN 20 HN GLN 20 -13.977 -11.279 -1.694 165 HA GLN 20 HA GLN 20 -12.728 -13.011 -2.446 166 HB2 GLN 20 HB2 GLN 20 -14.451 -12.651 -4.898 167 HB3 GLN 20 HB1 GLN 20 -13.344 -13.997 -4.665 168 HG2 GLN 20 HG2 GLN 20 -15.518 -13.359 -2.700 169 HG3 GLN 20 HG1 GLN 20 -15.795 -14.383 -4.106 170 HE21 GLN 20 HE21 GLN 20 -14.191 -14.094 -1.035 171 HE22 GLN 20 HE22 GLN 20 -13.744 -15.758 -0.887 172 H THR 21 HN THR 21 -11.578 -10.488 -2.622 173 HA THR 21 HA THR 21 -9.624 -10.970 -4.727 174 HB THR 21 HB THR 21 -11.385 -9.374 -5.631 175 HG1 THR 21 HG1 THR 21 -9.521 -7.736 -6.123 176 HG21 THR 21 HG21 THR 21 -11.709 -8.122 -3.498 177 HG22 THR 21 HG22 THR 21 -11.386 -7.087 -4.888 178 HG23 THR 21 HG23 THR 21 -10.107 -7.417 -3.720 179 H THR 22 HN THR 22 -7.951 -8.900 -4.430 180 HA THR 22 HA THR 22 -7.393 -8.822 -1.533 181 HB THR 22 HB THR 22 -4.988 -8.633 -2.136 182 HG1 THR 22 HG1 THR 22 -5.696 -9.519 -4.737 183 HG21 THR 22 HG21 THR 22 -4.650 -10.981 -2.700 184 HG22 THR 22 HG22 THR 22 -6.329 -11.111 -3.223 185 HG23 THR 22 HG23 THR 22 -5.954 -10.810 -1.526 186 H ILE 23 HN ILE 23 -5.680 -6.970 -1.143 187 HA ILE 23 HA ILE 23 -6.995 -4.518 -1.777 188 HB ILE 23 HB ILE 23 -4.242 -4.723 -0.567 189 HG12 ILE 23 HG12 ILE 23 -6.878 -5.067 0.885 190 HG13 ILE 23 HG11 ILE 23 -5.721 -6.355 0.565 191 HG21 ILE 23 HG21 ILE 23 -4.920 -2.721 0.641 192 HG22 ILE 23 HG22 ILE 23 -6.518 -2.798 -0.099 193 HG23 ILE 23 HG23 ILE 23 -5.099 -2.487 -1.098 194 HD11 ILE 23 HD11 ILE 23 -5.234 -3.925 2.271 195 HD12 ILE 23 HD12 ILE 23 -4.065 -5.203 1.948 196 HD13 ILE 23 HD13 ILE 23 -5.538 -5.563 2.847 197 H HIS 24 HN HIS 24 -4.760 -6.416 -3.400 198 HA HIS 24 HA HIS 24 -3.323 -4.267 -4.697 199 HB2 HIS 24 HB2 HIS 24 -3.335 -7.174 -5.518 200 HB3 HIS 24 HB1 HIS 24 -2.099 -5.966 -5.844 201 HD1 HIS 24 HD1 HIS 24 -0.440 -5.399 -3.862 202 HD2 HIS 24 HD2 HIS 24 -3.179 -8.428 -3.066 203 HE1 HIS 24 HE1 HIS 24 0.350 -6.544 -1.750 204 H ASP 25 HN ASP 25 -6.251 -5.980 -5.142 205 HA ASP 25 HA ASP 25 -6.621 -4.655 -7.717 206 HB2 ASP 25 HB2 ASP 25 -5.842 -7.028 -8.119 207 HB3 ASP 25 HB1 ASP 25 -7.337 -7.568 -7.364 208 H ILE 26 HN ILE 26 -7.869 -3.374 -6.084 209 HA ILE 26 HA ILE 26 -10.617 -4.358 -6.092 210 HB ILE 26 HB ILE 26 -9.901 -4.849 -3.843 211 HG12 ILE 26 HG12 ILE 26 -11.515 -2.299 -3.718 212 HG13 ILE 26 HG11 ILE 26 -12.178 -3.836 -4.263 213 HG21 ILE 26 HG21 ILE 26 -9.149 -3.018 -2.321 214 HG22 ILE 26 HG22 ILE 26 -8.970 -1.991 -3.744 215 HG23 ILE 26 HG23 ILE 26 -7.995 -3.452 -3.581 216 HD11 ILE 26 HD11 ILE 26 -12.737 -3.404 -1.943 217 HD12 ILE 26 HD12 ILE 26 -11.026 -3.277 -1.540 218 HD13 ILE 26 HD13 ILE 26 -11.693 -4.816 -2.083 219 H ILE 27 HN ILE 27 -11.942 -2.912 -6.955 220 HA ILE 27 HA ILE 27 -11.027 -0.118 -7.078 221 HB ILE 27 HB ILE 27 -12.910 -1.563 -8.956 222 HG12 ILE 27 HG12 ILE 27 -10.581 -2.289 -9.225 223 HG13 ILE 27 HG11 ILE 27 -11.114 -1.350 -10.615 224 HG21 ILE 27 HG21 ILE 27 -12.736 0.478 -10.338 225 HG22 ILE 27 HG22 ILE 27 -11.839 1.257 -9.034 226 HG23 ILE 27 HG23 ILE 27 -13.514 0.764 -8.783 227 HD11 ILE 27 HD11 ILE 27 -9.965 0.626 -9.604 228 HD12 ILE 27 HD12 ILE 27 -8.898 -0.690 -10.093 229 HD13 ILE 27 HD13 ILE 27 -9.299 -0.466 -8.391 230 H LEU 28 HN LEU 28 -12.036 1.062 -5.607 231 HA LEU 28 HA LEU 28 -14.892 0.567 -5.114 232 HB2 LEU 28 HB2 LEU 28 -12.702 0.862 -3.315 233 HB3 LEU 28 HB1 LEU 28 -13.761 2.243 -3.103 234 HG LEU 28 HG LEU 28 -15.660 0.687 -2.730 235 HD11 LEU 28 HD11 LEU 28 -15.166 -1.677 -2.273 236 HD12 LEU 28 HD12 LEU 28 -13.511 -1.424 -2.827 237 HD13 LEU 28 HD13 LEU 28 -14.856 -1.242 -3.953 238 HD21 LEU 28 HD21 LEU 28 -13.243 0.489 -0.953 239 HD22 LEU 28 HD22 LEU 28 -14.818 -0.167 -0.509 240 HD23 LEU 28 HD23 LEU 28 -14.634 1.563 -0.792 241 H GLU 29 HN GLU 29 -16.240 2.445 -4.835 242 HA GLU 29 HA GLU 29 -15.188 4.751 -6.324 243 HB2 GLU 29 HB2 GLU 29 -17.747 5.195 -6.637 244 HB3 GLU 29 HB1 GLU 29 -16.933 3.998 -7.633 245 HG2 GLU 29 HG2 GLU 29 -17.711 2.265 -5.971 246 HG3 GLU 29 HG1 GLU 29 -18.722 3.525 -5.270 247 H CYS 30 HN CYS 30 -15.879 6.852 -5.711 248 HA CYS 30 HA CYS 30 -15.826 7.264 -2.899 249 HB2 CYS 30 HB2 CYS 30 -14.743 8.849 -4.377 250 HB3 CYS 30 HB1 CYS 30 -16.265 9.181 -5.193 251 H VAL 31 HN VAL 31 -17.395 8.077 -1.561 252 HA VAL 31 HA VAL 31 -20.084 7.318 -2.200 253 HB VAL 31 HB VAL 31 -19.200 6.943 0.036 254 HG11 VAL 31 HG11 VAL 31 -18.854 8.842 1.588 255 HG12 VAL 31 HG12 VAL 31 -19.010 9.941 0.218 256 HG13 VAL 31 HG13 VAL 31 -17.684 8.782 0.273 257 HG21 VAL 31 HG21 VAL 31 -21.634 7.328 -0.300 258 HG22 VAL 31 HG22 VAL 31 -21.387 9.007 0.182 259 HG23 VAL 31 HG23 VAL 31 -21.067 7.702 1.327 260 H TYR 32 HN TYR 32 -18.292 10.319 -2.186 261 HA TYR 32 HA TYR 32 -20.810 11.803 -2.530 262 HB2 TYR 32 HB2 TYR 32 -18.061 12.820 -1.791 263 HB3 TYR 32 HB1 TYR 32 -19.480 13.833 -2.021 264 HD1 TYR 32 HD2 TYR 32 -21.607 12.745 -0.606 265 HD2 TYR 32 HD1 TYR 32 -17.481 12.540 0.405 266 HE1 TYR 32 HE2 TYR 32 -22.207 12.417 1.756 267 HE2 TYR 32 HE1 TYR 32 -18.064 12.212 2.769 268 HH TYR 32 HH TYR 32 -19.770 12.413 4.286 269 H CYS 33 HN CYS 33 -17.554 11.455 -3.915 270 HA CYS 33 HA CYS 33 -18.302 13.087 -6.192 271 HB2 CYS 33 HB2 CYS 33 -15.756 11.514 -5.952 272 HB3 CYS 33 HB1 CYS 33 -16.038 13.032 -6.798 273 H LYS 34 HN LYS 34 -18.187 9.764 -5.326 274 HA LYS 34 HA LYS 34 -18.698 7.835 -6.404 275 HB2 LYS 34 HB2 LYS 34 -19.992 9.761 -8.340 276 HB3 LYS 34 HB1 LYS 34 -20.157 8.012 -8.443 277 HG2 LYS 34 HG2 LYS 34 -21.789 8.027 -6.950 278 HG3 LYS 34 HG1 LYS 34 -20.776 8.880 -5.784 279 HD2 LYS 34 HD2 LYS 34 -21.356 11.007 -6.984 280 HD3 LYS 34 HD1 LYS 34 -22.521 10.077 -7.926 281 HE2 LYS 34 HE2 LYS 34 -23.564 9.365 -5.760 282 HE3 LYS 34 HE1 LYS 34 -22.515 10.523 -4.947 283 HZ1 LYS 34 HZ1 LYS 34 -24.629 11.101 -6.937 284 HZ2 LYS 34 HZ2 LYS 34 -23.512 12.251 -6.418 285 HZ3 LYS 34 HZ3 LYS 34 -24.594 11.570 -5.314 286 H GLN 35 HN GLN 35 -16.192 9.203 -6.908 287 HA GLN 35 HA GLN 35 -15.547 8.522 -9.662 288 HB2 GLN 35 HB2 GLN 35 -13.813 9.697 -7.478 289 HB3 GLN 35 HB1 GLN 35 -13.346 9.502 -9.162 290 HG2 GLN 35 HG2 GLN 35 -15.569 11.258 -8.141 291 HG3 GLN 35 HG1 GLN 35 -13.974 11.801 -8.659 292 HE21 GLN 35 HE21 GLN 35 -17.078 10.644 -9.662 293 HE22 GLN 35 HE22 GLN 35 -16.878 10.953 -11.354 294 H GLN 36 HN GLN 36 -13.839 7.063 -10.179 295 HA GLN 36 HA GLN 36 -13.803 4.752 -8.454 296 HB2 GLN 36 HB2 GLN 36 -12.429 5.223 -11.106 297 HB3 GLN 36 HB1 GLN 36 -12.582 3.673 -10.290 298 HG2 GLN 36 HG2 GLN 36 -14.887 3.569 -10.677 299 HG3 GLN 36 HG1 GLN 36 -14.986 5.284 -11.072 300 HE21 GLN 36 HE21 GLN 36 -12.493 3.147 -12.265 301 HE22 GLN 36 HE22 GLN 36 -12.997 3.168 -13.917 302 H LEU 37 HN LEU 37 -12.334 4.394 -6.926 303 HA LEU 37 HA LEU 37 -9.971 6.049 -6.769 304 HB2 LEU 37 HB2 LEU 37 -11.267 4.024 -4.995 305 HB3 LEU 37 HB1 LEU 37 -9.585 4.433 -4.728 306 HG LEU 37 HG LEU 37 -10.443 6.891 -4.676 307 HD11 LEU 37 HD11 LEU 37 -12.702 6.449 -5.439 308 HD12 LEU 37 HD12 LEU 37 -12.723 7.095 -3.799 309 HD13 LEU 37 HD13 LEU 37 -12.977 5.371 -4.070 310 HD21 LEU 37 HD21 LEU 37 -9.468 5.802 -2.765 311 HD22 LEU 37 HD22 LEU 37 -10.959 4.911 -2.465 312 HD23 LEU 37 HD23 LEU 37 -10.922 6.660 -2.257 313 H LEU 38 HN LEU 38 -7.864 5.401 -7.027 314 HA LEU 38 HA LEU 38 -7.505 2.906 -8.504 315 HB2 LEU 38 HB2 LEU 38 -5.550 5.167 -8.092 316 HB3 LEU 38 HB1 LEU 38 -5.373 3.823 -9.205 317 HG LEU 38 HG LEU 38 -7.474 5.989 -9.396 318 HD11 LEU 38 HD11 LEU 38 -5.024 5.496 -11.082 319 HD12 LEU 38 HD12 LEU 38 -5.188 6.767 -9.871 320 HD13 LEU 38 HD13 LEU 38 -6.213 6.776 -11.306 321 HD21 LEU 38 HD21 LEU 38 -7.837 4.984 -11.659 322 HD22 LEU 38 HD22 LEU 38 -8.352 3.966 -10.312 323 HD23 LEU 38 HD23 LEU 38 -6.837 3.624 -11.152 324 H ARG 39 HN ARG 39 -5.308 1.865 -8.165 325 HA ARG 39 HA ARG 39 -5.178 0.691 -5.640 326 HB2 ARG 39 HB2 ARG 39 -4.349 -0.324 -7.723 327 HB3 ARG 39 HB1 ARG 39 -3.056 0.860 -7.787 328 HG2 ARG 39 HG2 ARG 39 -1.939 -0.104 -5.954 329 HG3 ARG 39 HG1 ARG 39 -3.357 -1.045 -5.484 330 HD2 ARG 39 HD2 ARG 39 -3.033 -2.615 -7.122 331 HD3 ARG 39 HD1 ARG 39 -2.234 -1.480 -8.204 332 HE ARG 39 HE ARG 39 -0.445 -1.762 -6.183 333 HH11 ARG 39 HH11 ARG 39 -2.188 -4.067 -8.169 334 HH12 ARG 39 HH12 ARG 39 -0.907 -5.238 -8.161 335 HH21 ARG 39 HH21 ARG 39 1.255 -3.296 -6.179 336 HH22 ARG 39 HH22 ARG 39 1.053 -4.799 -7.045 337 H ARG 40 HN ARG 40 -3.831 3.634 -6.786 338 HA ARG 40 HA ARG 40 -1.612 3.894 -5.067 339 HB2 ARG 40 HB2 ARG 40 -1.655 5.299 -6.950 340 HB3 ARG 40 HB1 ARG 40 -3.301 5.825 -6.633 341 HG2 ARG 40 HG2 ARG 40 -2.305 6.879 -4.500 342 HG3 ARG 40 HG1 ARG 40 -0.757 6.689 -5.327 343 HD2 ARG 40 HD2 ARG 40 -1.571 8.882 -5.793 344 HD3 ARG 40 HD1 ARG 40 -1.732 7.926 -7.264 345 HE ARG 40 HE ARG 40 -4.166 7.624 -6.329 346 HH11 ARG 40 HH11 ARG 40 -2.190 10.528 -6.271 347 HH12 ARG 40 HH12 ARG 40 -3.545 11.608 -6.315 348 HH21 ARG 40 HH21 ARG 40 -5.955 9.045 -6.403 349 HH22 ARG 40 HH22 ARG 40 -5.684 10.767 -6.406 350 H GLU 41 HN GLU 41 -4.909 5.251 -4.830 351 HA GLU 41 HA GLU 41 -4.418 6.235 -2.173 352 HB2 GLU 41 HB2 GLU 41 -7.000 6.619 -2.304 353 HB3 GLU 41 HB1 GLU 41 -5.909 7.610 -3.261 354 HG2 GLU 41 HG2 GLU 41 -6.960 5.142 -4.514 355 HG3 GLU 41 HG1 GLU 41 -8.083 6.481 -4.273 356 H VAL 42 HN VAL 42 -5.774 3.345 -3.547 357 HA VAL 42 HA VAL 42 -7.309 2.447 -1.393 358 HB VAL 42 HB VAL 42 -5.804 0.942 -3.528 359 HG11 VAL 42 HG11 VAL 42 -6.910 -1.092 -2.855 360 HG12 VAL 42 HG12 VAL 42 -7.720 -0.255 -1.531 361 HG13 VAL 42 HG13 VAL 42 -5.970 -0.471 -1.498 362 HG21 VAL 42 HG21 VAL 42 -8.075 0.502 -4.369 363 HG22 VAL 42 HG22 VAL 42 -7.723 2.226 -4.275 364 HG23 VAL 42 HG23 VAL 42 -8.737 1.468 -3.050 365 H TYR 43 HN TYR 43 -3.835 2.140 -2.014 366 HA TYR 43 HA TYR 43 -3.318 0.469 0.227 367 HB2 TYR 43 HB2 TYR 43 -1.586 2.167 -1.541 368 HB3 TYR 43 HB1 TYR 43 -0.918 1.381 -0.114 369 HD1 TYR 43 HD1 TYR 43 -2.473 -1.184 -0.204 370 HD2 TYR 43 HD2 TYR 43 -0.514 1.010 -3.276 371 HE1 TYR 43 HE1 TYR 43 -2.191 -3.253 -1.493 372 HE2 TYR 43 HE2 TYR 43 -0.223 -1.059 -4.569 373 HH TYR 43 HH TYR 43 -1.692 -4.080 -3.527 374 H ASP 44 HN ASP 44 -3.358 3.944 -0.269 375 HA ASP 44 HA ASP 44 -2.209 4.675 2.213 376 HB2 ASP 44 HB2 ASP 44 -2.855 6.060 0.003 377 HB3 ASP 44 HB1 ASP 44 -4.256 6.454 0.994 378 H PHE 45 HN PHE 45 -5.401 3.797 1.190 379 HA PHE 45 HA PHE 45 -6.896 4.704 3.396 380 HB2 PHE 45 HB2 PHE 45 -7.674 3.827 1.083 381 HB3 PHE 45 HB1 PHE 45 -7.564 2.231 1.811 382 HD1 PHE 45 HD2 PHE 45 -9.122 1.544 3.539 383 HD2 PHE 45 HD1 PHE 45 -9.385 5.381 1.725 384 HE1 PHE 45 HE2 PHE 45 -11.394 1.813 4.448 385 HE2 PHE 45 HE1 PHE 45 -11.656 5.656 2.624 386 HZ PHE 45 HZ PHE 45 -12.666 3.873 3.991 387 H ALA 46 HN ALA 46 -5.177 1.686 2.761 388 HA ALA 46 HA ALA 46 -6.023 0.517 5.276 389 HB1 ALA 46 HB1 ALA 46 -5.790 -0.899 3.304 390 HB2 ALA 46 HB2 ALA 46 -4.700 -1.414 4.590 391 HB3 ALA 46 HB3 ALA 46 -4.076 -0.503 3.214 392 H PHE 47 HN PHE 47 -3.414 2.391 4.081 393 HA PHE 47 HA PHE 47 -1.397 1.622 5.914 394 HB2 PHE 47 HB2 PHE 47 -1.084 2.912 3.752 395 HB3 PHE 47 HB1 PHE 47 -1.695 4.328 4.599 396 HD1 PHE 47 HD1 PHE 47 0.854 1.654 5.145 397 HD2 PHE 47 HD2 PHE 47 -0.117 5.789 5.385 398 HE1 PHE 47 HE1 PHE 47 3.129 2.139 5.946 399 HE2 PHE 47 HE2 PHE 47 2.155 6.282 6.187 400 HZ PHE 47 HZ PHE 47 3.782 4.455 6.467 401 H ARG 48 HN ARG 48 -4.027 3.917 6.028 402 HA ARG 48 HA ARG 48 -3.242 4.657 8.769 403 HB2 ARG 48 HB2 ARG 48 -4.846 6.141 6.686 404 HB3 ARG 48 HB1 ARG 48 -4.818 6.620 8.379 405 HG2 ARG 48 HG2 ARG 48 -2.434 6.999 8.272 406 HG3 ARG 48 HG1 ARG 48 -2.390 6.407 6.609 407 HD2 ARG 48 HD2 ARG 48 -4.080 8.744 7.443 408 HD3 ARG 48 HD1 ARG 48 -2.399 8.931 6.950 409 HE ARG 48 HE ARG 48 -3.120 7.850 4.796 410 HH11 ARG 48 HH11 ARG 48 -5.387 9.656 6.787 411 HH12 ARG 48 HH12 ARG 48 -6.418 10.050 5.453 412 HH21 ARG 48 HH21 ARG 48 -4.426 8.391 3.066 413 HH22 ARG 48 HH22 ARG 48 -5.872 9.329 3.316 414 H ASP 49 HN ASP 49 -5.310 5.248 10.119 415 HA ASP 49 HA ASP 49 -7.010 2.895 9.942 416 HB2 ASP 49 HB2 ASP 49 -5.903 4.010 12.106 417 HB3 ASP 49 HB1 ASP 49 -7.439 4.871 12.110 418 H LEU 50 HN LEU 50 -8.126 3.599 8.040 419 HA LEU 50 HA LEU 50 -10.083 5.729 8.532 420 HB2 LEU 50 HB2 LEU 50 -8.731 4.693 6.128 421 HB3 LEU 50 HB1 LEU 50 -10.436 5.044 5.919 422 HG LEU 50 HG LEU 50 -9.948 7.351 6.864 423 HD11 LEU 50 HD11 LEU 50 -7.110 6.502 6.307 424 HD12 LEU 50 HD12 LEU 50 -7.798 6.845 7.893 425 HD13 LEU 50 HD13 LEU 50 -7.644 8.135 6.701 426 HD21 LEU 50 HD21 LEU 50 -9.188 8.199 4.733 427 HD22 LEU 50 HD22 LEU 50 -10.331 6.881 4.480 428 HD23 LEU 50 HD23 LEU 50 -8.603 6.602 4.273 429 H CYS 51 HN CYS 51 -12.268 5.305 7.535 430 HA CYS 51 HA CYS 51 -13.066 2.504 7.976 431 HB2 CYS 51 HB2 CYS 51 -14.721 4.941 8.665 432 HB3 CYS 51 HB1 CYS 51 -15.089 3.260 9.047 433 HG CYS 51 HG CYS 51 -14.410 4.398 11.439 434 H ILE 52 HN ILE 52 -14.706 1.705 6.645 435 HA ILE 52 HA ILE 52 -14.963 3.059 4.104 436 HB ILE 52 HB ILE 52 -15.966 0.381 5.080 437 HG12 ILE 52 HG12 ILE 52 -13.832 1.170 3.084 438 HG13 ILE 52 HG11 ILE 52 -13.556 0.515 4.697 439 HG21 ILE 52 HG21 ILE 52 -16.239 1.564 2.318 440 HG22 ILE 52 HG22 ILE 52 -17.555 1.283 3.459 441 HG23 ILE 52 HG23 ILE 52 -16.663 -0.083 2.786 442 HD11 ILE 52 HD11 ILE 52 -13.333 -1.079 2.742 443 HD12 ILE 52 HD12 ILE 52 -15.089 -0.990 2.608 444 HD13 ILE 52 HD13 ILE 52 -14.347 -1.602 4.084 445 H VAL 53 HN VAL 53 -16.666 4.199 3.428 446 HA VAL 53 HA VAL 53 -18.894 4.561 5.271 447 HB VAL 53 HB VAL 53 -19.534 6.278 3.334 448 HG11 VAL 53 HG11 VAL 53 -18.261 8.003 4.558 449 HG12 VAL 53 HG12 VAL 53 -17.377 6.728 5.397 450 HG13 VAL 53 HG13 VAL 53 -19.116 6.900 5.634 451 HG21 VAL 53 HG21 VAL 53 -16.532 6.068 3.085 452 HG22 VAL 53 HG22 VAL 53 -17.568 7.264 2.306 453 HG23 VAL 53 HG23 VAL 53 -17.695 5.563 1.857 454 H TYR 54 HN TYR 54 -20.938 3.886 4.882 455 HA TYR 54 HA TYR 54 -21.371 2.433 2.363 456 HB2 TYR 54 HB2 TYR 54 -22.105 1.783 5.180 457 HB3 TYR 54 HB1 TYR 54 -23.166 1.234 3.885 458 HD1 TYR 54 HD1 TYR 54 -22.384 -0.399 2.251 459 HD2 TYR 54 HD2 TYR 54 -19.895 0.851 5.466 460 HE1 TYR 54 HE1 TYR 54 -20.890 -2.299 1.823 461 HE2 TYR 54 HE2 TYR 54 -18.394 -1.051 5.047 462 HH TYR 54 HH TYR 54 -18.164 -3.012 3.943 463 H ARG 55 HN ARG 55 -22.585 3.582 1.075 464 HA ARG 55 HA ARG 55 -24.806 5.151 2.179 465 HB2 ARG 55 HB2 ARG 55 -23.063 6.178 0.582 466 HB3 ARG 55 HB1 ARG 55 -23.820 5.216 -0.675 467 HG2 ARG 55 HG2 ARG 55 -25.478 7.051 1.001 468 HG3 ARG 55 HG1 ARG 55 -24.526 7.688 -0.336 469 HD2 ARG 55 HD2 ARG 55 -26.573 5.483 -0.568 470 HD3 ARG 55 HD1 ARG 55 -26.864 7.174 -0.962 471 HE ARG 55 HE ARG 55 -24.724 6.555 -2.495 472 HH11 ARG 55 HH11 ARG 55 -27.892 5.101 -2.111 473 HH12 ARG 55 HH12 ARG 55 -27.917 4.434 -3.713 474 HH21 ARG 55 HH21 ARG 55 -24.777 5.688 -4.609 475 HH22 ARG 55 HH22 ARG 55 -26.153 4.765 -5.124 476 H ASP 56 HN ASP 56 -26.747 4.288 2.090 477 HA ASP 56 HA ASP 56 -28.585 3.129 1.416 478 HB2 ASP 56 HB2 ASP 56 -27.481 3.826 -0.978 479 HB3 ASP 56 HB1 ASP 56 -27.469 2.073 -1.100 480 H GLY 57 HN GLY 57 -25.936 1.308 -0.075 481 HA2 GLY 57 HA2 GLY 57 -25.728 -0.679 1.898 482 HA3 GLY 57 HA1 GLY 57 -26.872 -1.227 0.679 483 H ASN 58 HN ASN 58 -24.198 0.871 -0.082 484 HA ASN 58 HA ASN 58 -22.839 -1.375 -1.415 485 HB2 ASN 58 HB2 ASN 58 -23.472 1.376 -2.469 486 HB3 ASN 58 HB1 ASN 58 -22.148 0.425 -3.136 487 HD21 ASN 58 HD21 ASN 58 -24.834 1.362 -4.149 488 HD22 ASN 58 HD22 ASN 58 -25.559 -0.063 -4.805 489 HA PRO 59 HA PRO 59 -19.285 0.085 0.784 490 HB2 PRO 59 HB2 PRO 59 -17.325 -1.126 -0.643 491 HB3 PRO 59 HB1 PRO 59 -18.438 -2.036 0.397 492 HG2 PRO 59 HG2 PRO 59 -18.464 -1.705 -2.558 493 HG3 PRO 59 HG1 PRO 59 -18.816 -3.141 -1.578 494 HD2 PRO 59 HD2 PRO 59 -20.748 -1.535 -2.675 495 HD3 PRO 59 HD1 PRO 59 -20.986 -2.534 -1.229 496 H TYR 60 HN TYR 60 -18.610 2.141 0.688 497 HA TYR 60 HA TYR 60 -17.498 3.104 -1.863 498 HB2 TYR 60 HB2 TYR 60 -19.133 4.622 0.173 499 HB3 TYR 60 HB1 TYR 60 -18.239 5.396 -1.134 500 HD1 TYR 60 HD1 TYR 60 -18.807 4.694 -3.527 501 HD2 TYR 60 HD2 TYR 60 -21.296 3.830 -0.195 502 HE1 TYR 60 HE1 TYR 60 -20.706 4.328 -5.046 503 HE2 TYR 60 HE2 TYR 60 -23.201 3.462 -1.702 504 HH TYR 60 HH TYR 60 -22.881 2.994 -4.976 505 H ALA 61 HN ALA 61 -15.686 4.419 -1.759 506 HA ALA 61 HA ALA 61 -14.251 4.248 0.805 507 HB1 ALA 61 HB1 ALA 61 -13.155 4.411 -2.000 508 HB2 ALA 61 HB2 ALA 61 -13.152 2.995 -0.947 509 HB3 ALA 61 HB3 ALA 61 -12.183 4.407 -0.529 510 H VAL 62 HN VAL 62 -12.547 5.991 1.018 511 HA VAL 62 HA VAL 62 -13.830 8.570 0.515 512 HB VAL 62 HB VAL 62 -11.503 8.058 2.367 513 HG11 VAL 62 HG11 VAL 62 -12.310 10.091 3.465 514 HG12 VAL 62 HG12 VAL 62 -13.590 10.227 2.259 515 HG13 VAL 62 HG13 VAL 62 -11.900 10.374 1.773 516 HG21 VAL 62 HG21 VAL 62 -13.441 6.595 2.955 517 HG22 VAL 62 HG22 VAL 62 -14.412 8.053 3.153 518 HG23 VAL 62 HG23 VAL 62 -13.022 7.773 4.197 519 H CYS 63 HN CYS 63 -13.099 9.625 -1.218 520 HA CYS 63 HA CYS 63 -10.601 8.970 -2.452 521 HB2 CYS 63 HB2 CYS 63 -11.239 10.688 -4.100 522 HB3 CYS 63 HB1 CYS 63 -12.539 9.536 -3.813 523 H ASP 64 HN ASP 64 -9.377 11.029 -3.334 524 HA ASP 64 HA ASP 64 -7.939 12.108 -1.168 525 HB2 ASP 64 HB2 ASP 64 -6.824 11.807 -3.253 526 HB3 ASP 64 HB1 ASP 64 -8.027 12.753 -4.117 527 H LYS 65 HN LYS 65 -10.758 13.180 -2.844 528 HA LYS 65 HA LYS 65 -10.553 15.933 -1.991 529 HB2 LYS 65 HB2 LYS 65 -12.771 14.391 -3.343 530 HB3 LYS 65 HB1 LYS 65 -12.852 16.102 -2.967 531 HG2 LYS 65 HG2 LYS 65 -11.026 16.569 -4.463 532 HG3 LYS 65 HG1 LYS 65 -10.785 14.846 -4.758 533 HD2 LYS 65 HD2 LYS 65 -12.015 15.919 -6.593 534 HD3 LYS 65 HD1 LYS 65 -12.993 14.695 -5.782 535 HE2 LYS 65 HE2 LYS 65 -13.397 17.204 -4.489 536 HE3 LYS 65 HE1 LYS 65 -13.596 17.423 -6.225 537 HZ1 LYS 65 HZ1 LYS 65 -15.651 16.778 -4.988 538 HZ2 LYS 65 HZ2 LYS 65 -14.951 15.262 -4.706 539 HZ3 LYS 65 HZ3 LYS 65 -15.261 15.772 -6.287 540 H CYS 66 HN CYS 66 -12.785 13.229 -1.325 541 HA CYS 66 HA CYS 66 -14.142 14.618 0.746 542 HB2 CYS 66 HB2 CYS 66 -14.130 11.660 0.151 543 HB3 CYS 66 HB1 CYS 66 -15.327 12.531 1.103 544 H LEU 67 HN LEU 67 -11.220 12.847 0.700 545 HA LEU 67 HA LEU 67 -11.027 11.699 3.183 546 HB2 LEU 67 HB2 LEU 67 -9.216 12.612 1.166 547 HB3 LEU 67 HB1 LEU 67 -8.578 13.030 2.741 548 HG LEU 67 HG LEU 67 -9.466 10.245 2.028 549 HD11 LEU 67 HD11 LEU 67 -6.720 11.476 1.851 550 HD12 LEU 67 HD12 LEU 67 -7.680 10.833 0.519 551 HD13 LEU 67 HD13 LEU 67 -7.057 9.748 1.762 552 HD21 LEU 67 HD21 LEU 67 -9.394 10.661 4.397 553 HD22 LEU 67 HD22 LEU 67 -7.789 11.375 4.261 554 HD23 LEU 67 HD23 LEU 67 -8.016 9.654 3.950 555 H LYS 68 HN LYS 68 -10.454 15.092 2.367 556 HA LYS 68 HA LYS 68 -9.814 15.778 5.087 557 HB2 LYS 68 HB2 LYS 68 -9.763 18.100 4.195 558 HB3 LYS 68 HB1 LYS 68 -8.702 16.981 3.357 559 HG2 LYS 68 HG2 LYS 68 -10.874 16.772 1.808 560 HG3 LYS 68 HG1 LYS 68 -11.076 18.425 2.392 561 HD2 LYS 68 HD2 LYS 68 -8.556 18.664 1.784 562 HD3 LYS 68 HD1 LYS 68 -8.854 17.247 0.777 563 HE2 LYS 68 HE2 LYS 68 -9.127 19.206 -0.569 564 HE3 LYS 68 HE1 LYS 68 -10.713 18.482 -0.320 565 HZ1 LYS 68 HZ1 LYS 68 -10.673 20.924 -0.084 566 HZ2 LYS 68 HZ2 LYS 68 -9.653 20.768 1.253 567 HZ3 LYS 68 HZ3 LYS 68 -11.223 20.139 1.308 568 H PHE 69 HN PHE 69 -12.671 15.497 3.253 569 HA PHE 69 HA PHE 69 -14.214 17.417 4.726 570 HB2 PHE 69 HB2 PHE 69 -14.715 15.503 2.521 571 HB3 PHE 69 HB1 PHE 69 -16.096 15.908 3.532 572 HD1 PHE 69 HD2 PHE 69 -16.206 18.574 4.065 573 HD2 PHE 69 HD1 PHE 69 -14.495 16.765 0.607 574 HE1 PHE 69 HE2 PHE 69 -16.557 20.649 2.805 575 HE2 PHE 69 HE1 PHE 69 -14.849 18.851 -0.659 576 HZ PHE 69 HZ PHE 69 -15.884 20.797 0.441 577 H TYR 70 HN TYR 70 -14.098 13.855 4.638 578 HA TYR 70 HA TYR 70 -15.429 13.847 7.278 579 HB2 TYR 70 HB2 TYR 70 -16.194 12.573 4.804 580 HB3 TYR 70 HB1 TYR 70 -15.926 11.372 6.064 581 HD1 TYR 70 HD1 TYR 70 -17.908 14.323 5.105 582 HD2 TYR 70 HD2 TYR 70 -17.403 11.186 7.923 583 HE1 TYR 70 HE1 TYR 70 -20.127 14.823 6.043 584 HE2 TYR 70 HE2 TYR 70 -19.618 11.669 8.872 585 HH TYR 70 HH TYR 70 -21.796 13.982 7.373 586 H MET 1 HT1 MET 1 24.270 7.706 1.489 587 HA MET 1 HA MET 1 24.212 5.112 0.078 588 HB2 MET 1 HB2 MET 1 26.504 5.361 -0.496 589 HB3 MET 1 HB1 MET 1 25.707 6.832 -1.028 590 HG2 MET 1 HG2 MET 1 27.485 7.792 -0.045 591 HG3 MET 1 HG1 MET 1 26.488 7.627 1.400 592 HE1 MET 1 HE1 MET 1 30.066 6.869 2.780 593 HE2 MET 1 HE2 MET 1 28.618 7.864 2.936 594 HE3 MET 1 HE3 MET 1 29.656 8.032 1.521 595 H PHE 2 HN PHE 2 25.645 3.553 1.117 596 HA PHE 2 HA PHE 2 26.135 4.108 3.958 597 HB2 PHE 2 HB2 PHE 2 24.696 1.724 2.789 598 HB3 PHE 2 HB1 PHE 2 25.354 1.739 4.422 599 HD1 PHE 2 HD2 PHE 2 24.529 3.542 6.015 600 HD2 PHE 2 HD1 PHE 2 22.577 2.595 2.354 601 HE1 PHE 2 HE2 PHE 2 22.475 4.612 6.843 602 HE2 PHE 2 HE1 PHE 2 20.516 3.665 3.170 603 HZ PHE 2 HZ PHE 2 20.462 4.673 5.419 604 H GLN 3 HN GLN 3 27.943 3.127 4.822 605 HA GLN 3 HA GLN 3 29.869 2.200 2.867 606 HB2 GLN 3 HB2 GLN 3 29.944 3.181 5.652 607 HB3 GLN 3 HB1 GLN 3 31.194 2.028 5.209 608 HG2 GLN 3 HG2 GLN 3 30.620 4.672 3.894 609 HG3 GLN 3 HG1 GLN 3 32.013 4.254 4.892 610 HE21 GLN 3 HE21 GLN 3 32.001 5.259 2.206 611 HE22 GLN 3 HE22 GLN 3 32.765 4.071 1.210 612 H ASP 4 HN ASP 4 31.402 0.447 3.685 613 HA ASP 4 HA ASP 4 29.857 -1.986 4.000 614 HB2 ASP 4 HB2 ASP 4 31.615 -1.997 2.343 615 HB3 ASP 4 HB1 ASP 4 32.795 -1.420 3.508 616 HA PRO 5 HA PRO 5 30.136 -3.961 4.631 617 HB2 PRO 5 HB2 PRO 5 29.208 -5.647 6.651 618 HB3 PRO 5 HB1 PRO 5 30.799 -5.742 5.885 619 HG2 PRO 5 HG2 PRO 5 30.215 -5.052 8.572 620 HG3 PRO 5 HG1 PRO 5 31.795 -5.073 7.769 621 HD2 PRO 5 HD2 PRO 5 30.021 -2.790 8.360 622 HD3 PRO 5 HD1 PRO 5 31.774 -2.822 8.093 623 H GLN 6 HN GLN 6 28.161 -4.309 7.521 624 HA GLN 6 HA GLN 6 25.868 -3.431 5.938 625 HB2 GLN 6 HB2 GLN 6 26.158 -5.270 8.287 626 HB3 GLN 6 HB1 GLN 6 24.602 -4.527 7.931 627 HG2 GLN 6 HG2 GLN 6 26.189 -6.155 5.961 628 HG3 GLN 6 HG1 GLN 6 24.896 -6.800 6.973 629 HE21 GLN 6 HE21 GLN 6 22.802 -6.444 6.417 630 HE22 GLN 6 HE22 GLN 6 22.320 -5.621 4.977 631 H GLU 7 HN GLU 7 26.495 -1.208 6.250 632 HA GLU 7 HA GLU 7 26.132 -0.091 8.915 633 HB2 GLU 7 HB2 GLU 7 27.871 0.761 7.288 634 HB3 GLU 7 HB1 GLU 7 26.559 1.361 6.288 635 HG2 GLU 7 HG2 GLU 7 25.866 2.876 8.021 636 HG3 GLU 7 HG1 GLU 7 27.058 2.205 9.132 637 H ARG 8 HN ARG 8 24.089 -1.444 7.099 638 HA ARG 8 HA ARG 8 21.946 0.503 7.470 639 HB2 ARG 8 HB2 ARG 8 21.000 -0.199 5.255 640 HB3 ARG 8 HB1 ARG 8 22.497 0.715 5.136 641 HG2 ARG 8 HG2 ARG 8 22.712 -2.239 5.211 642 HG3 ARG 8 HG1 ARG 8 22.052 -1.507 3.748 643 HD2 ARG 8 HD2 ARG 8 24.022 -0.224 3.403 644 HD3 ARG 8 HD1 ARG 8 24.644 -0.630 5.001 645 HE ARG 8 HE ARG 8 24.518 -3.041 3.944 646 HH11 ARG 8 HH11 ARG 8 25.660 -0.064 2.482 647 HH12 ARG 8 HH12 ARG 8 26.782 -0.859 1.436 648 HH21 ARG 8 HH21 ARG 8 26.000 -4.087 2.587 649 HH22 ARG 8 HH22 ARG 8 26.991 -3.161 1.507 650 HA PRO 9 HA PRO 9 19.930 -3.174 8.911 651 HB2 PRO 9 HB2 PRO 9 17.456 -2.165 9.284 652 HB3 PRO 9 HB1 PRO 9 18.835 -1.675 10.284 653 HG2 PRO 9 HG2 PRO 9 17.416 -0.171 8.207 654 HG3 PRO 9 HG1 PRO 9 18.401 0.413 9.559 655 HD2 PRO 9 HD2 PRO 9 19.174 0.124 6.817 656 HD3 PRO 9 HD1 PRO 9 20.153 0.699 8.175 657 H ARG 10 HN ARG 10 18.270 -4.726 8.408 658 HA ARG 10 HA ARG 10 17.712 -4.849 5.563 659 HB2 ARG 10 HB2 ARG 10 17.461 -6.814 7.826 660 HB3 ARG 10 HB1 ARG 10 16.786 -7.149 6.237 661 HG2 ARG 10 HG2 ARG 10 19.600 -6.270 6.293 662 HG3 ARG 10 HG1 ARG 10 19.259 -7.861 6.977 663 HD2 ARG 10 HD2 ARG 10 18.004 -7.224 4.372 664 HD3 ARG 10 HD1 ARG 10 19.750 -7.468 4.376 665 HE ARG 10 HE ARG 10 18.651 -9.578 5.801 666 HH11 ARG 10 HH11 ARG 10 18.379 -8.321 2.541 667 HH12 ARG 10 HH12 ARG 10 18.205 -9.894 1.823 668 HH21 ARG 10 HH21 ARG 10 18.411 -11.631 4.862 669 HH22 ARG 10 HH22 ARG 10 18.211 -11.774 3.142 670 H LYS 11 HN LYS 11 16.167 -3.475 8.090 671 HA LYS 11 HA LYS 11 13.476 -4.202 7.168 672 HB2 LYS 11 HB2 LYS 11 14.279 -2.651 9.637 673 HB3 LYS 11 HB1 LYS 11 12.654 -3.177 9.225 674 HG2 LYS 11 HG2 LYS 11 13.441 -5.529 9.361 675 HG3 LYS 11 HG1 LYS 11 14.998 -4.923 9.931 676 HD2 LYS 11 HD2 LYS 11 13.777 -3.781 11.792 677 HD3 LYS 11 HD1 LYS 11 12.312 -4.612 11.264 678 HE2 LYS 11 HE2 LYS 11 13.369 -6.761 11.656 679 HE3 LYS 11 HE1 LYS 11 14.874 -5.961 12.110 680 HZ1 LYS 11 HZ1 LYS 11 12.308 -5.565 13.539 681 HZ2 LYS 11 HZ2 LYS 11 13.844 -5.053 14.027 682 HZ3 LYS 11 HZ3 LYS 11 13.471 -6.702 14.001 683 H LEU 12 HN LEU 12 12.277 -2.820 6.052 684 HA LEU 12 HA LEU 12 13.314 -0.572 4.832 685 HB2 LEU 12 HB2 LEU 12 11.388 -1.838 3.992 686 HB3 LEU 12 HB1 LEU 12 10.401 -1.196 5.291 687 HG LEU 12 HG LEU 12 10.831 1.108 4.370 688 HD11 LEU 12 HD11 LEU 12 12.834 0.682 3.100 689 HD12 LEU 12 HD12 LEU 12 11.561 1.233 2.012 690 HD13 LEU 12 HD13 LEU 12 11.983 -0.477 2.081 691 HD21 LEU 12 HD21 LEU 12 9.518 -0.690 2.355 692 HD22 LEU 12 HD22 LEU 12 9.102 0.970 2.785 693 HD23 LEU 12 HD23 LEU 12 8.795 -0.341 3.924 694 HA PRO 13 HA PRO 13 10.759 2.288 7.895 695 HB2 PRO 13 HB2 PRO 13 10.612 1.170 10.443 696 HB3 PRO 13 HB1 PRO 13 9.276 1.242 9.280 697 HG2 PRO 13 HG2 PRO 13 11.124 -1.003 9.892 698 HG3 PRO 13 HG1 PRO 13 9.383 -1.031 9.546 699 HD2 PRO 13 HD2 PRO 13 11.156 -1.752 7.692 700 HD3 PRO 13 HD1 PRO 13 9.699 -0.832 7.257 701 H GLN 14 HN GLN 14 13.230 0.077 9.132 702 HA GLN 14 HA GLN 14 14.473 2.054 10.780 703 HB2 GLN 14 HB2 GLN 14 15.406 -0.650 9.812 704 HB3 GLN 14 HB1 GLN 14 16.347 0.371 10.891 705 HG2 GLN 14 HG2 GLN 14 14.374 0.338 12.454 706 HG3 GLN 14 HG1 GLN 14 13.684 -0.910 11.418 707 HE21 GLN 14 HE21 GLN 14 17.094 -0.550 12.124 708 HE22 GLN 14 HE22 GLN 14 17.251 -2.014 13.027 709 H LEU 15 HN LEU 15 14.918 0.860 7.498 710 HA LEU 15 HA LEU 15 17.410 2.064 6.990 711 HB2 LEU 15 HB2 LEU 15 16.378 0.333 5.552 712 HB3 LEU 15 HB1 LEU 15 15.185 1.506 5.026 713 HG LEU 15 HG LEU 15 17.066 2.895 4.098 714 HD11 LEU 15 HD11 LEU 15 18.874 2.002 5.452 715 HD12 LEU 15 HD12 LEU 15 19.219 1.800 3.735 716 HD13 LEU 15 HD13 LEU 15 18.680 0.422 4.693 717 HD21 LEU 15 HD21 LEU 15 16.968 0.120 2.936 718 HD22 LEU 15 HD22 LEU 15 17.260 1.640 2.091 719 HD23 LEU 15 HD23 LEU 15 15.665 1.295 2.760 720 H CYS 16 HN CYS 16 14.103 3.246 6.690 721 HA CYS 16 HA CYS 16 14.619 5.669 5.402 722 HB2 CYS 16 HB2 CYS 16 12.505 5.120 7.504 723 HB3 CYS 16 HB1 CYS 16 12.482 6.429 6.326 724 HG CYS 16 HG CYS 16 12.041 4.861 4.134 725 H THR 17 HN THR 17 14.625 4.826 8.833 726 HA THR 17 HA THR 17 15.169 7.393 9.846 727 HB THR 17 HB THR 17 16.009 4.772 11.085 728 HG1 THR 17 HG1 THR 17 13.940 4.511 11.725 729 HG21 THR 17 HG21 THR 17 15.719 5.936 13.190 730 HG22 THR 17 HG22 THR 17 15.159 7.380 12.349 731 HG23 THR 17 HG23 THR 17 16.830 6.849 12.170 732 H GLU 18 HN GLU 18 17.304 4.711 8.931 733 HA GLU 18 HA GLU 18 19.723 5.939 9.723 734 HB2 GLU 18 HB2 GLU 18 19.222 3.834 7.615 735 HB3 GLU 18 HB1 GLU 18 20.804 4.269 8.245 736 HG2 GLU 18 HG2 GLU 18 18.542 3.153 9.884 737 HG3 GLU 18 HG1 GLU 18 19.889 2.218 9.245 738 H LEU 19 HN LEU 19 17.849 6.004 6.764 739 HA LEU 19 HA LEU 19 19.825 7.494 5.288 740 HB2 LEU 19 HB2 LEU 19 17.238 6.238 4.752 741 HB3 LEU 19 HB1 LEU 19 17.461 7.756 3.905 742 HG LEU 19 HG LEU 19 19.396 5.444 3.771 743 HD11 LEU 19 HD11 LEU 19 17.254 6.274 1.820 744 HD12 LEU 19 HD12 LEU 19 17.269 4.801 2.787 745 HD13 LEU 19 HD13 LEU 19 18.482 5.044 1.532 746 HD21 LEU 19 HD21 LEU 19 19.163 7.965 2.134 747 HD22 LEU 19 HD22 LEU 19 20.306 6.653 1.848 748 HD23 LEU 19 HD23 LEU 19 20.413 7.612 3.324 749 H GLN 20 HN GLN 20 17.805 8.308 7.727 750 HA GLN 20 HA GLN 20 16.980 10.235 8.582 751 HB2 GLN 20 HB2 GLN 20 18.949 11.488 6.659 752 HB3 GLN 20 HB1 GLN 20 18.174 12.315 8.006 753 HG2 GLN 20 HG2 GLN 20 19.356 11.071 9.599 754 HG3 GLN 20 HG1 GLN 20 19.832 9.853 8.416 755 HE21 GLN 20 HE21 GLN 20 20.444 13.020 9.678 756 HE22 GLN 20 HE22 GLN 20 21.982 13.248 8.912 757 H THR 21 HN THR 21 15.356 9.121 6.734 758 HA THR 21 HA THR 21 13.990 11.447 5.661 759 HB THR 21 HB THR 21 15.507 10.544 3.839 760 HG1 THR 21 HG1 THR 21 13.964 10.920 2.309 761 HG21 THR 21 HG21 THR 21 15.259 8.155 4.354 762 HG22 THR 21 HG22 THR 21 14.813 8.507 2.684 763 HG23 THR 21 HG23 THR 21 13.559 8.236 3.895 764 H THR 22 HN THR 22 11.842 10.472 4.515 765 HA THR 22 HA THR 22 10.657 8.762 6.581 766 HB THR 22 HB THR 22 8.482 9.509 5.678 767 HG1 THR 22 HG1 THR 22 9.257 11.586 4.197 768 HG21 THR 22 HG21 THR 22 8.685 11.916 6.310 769 HG22 THR 22 HG22 THR 22 10.433 11.701 6.370 770 HG23 THR 22 HG23 THR 22 9.397 10.803 7.478 771 H ILE 23 HN ILE 23 8.746 7.397 5.610 772 HA ILE 23 HA ILE 23 9.927 5.531 3.774 773 HB ILE 23 HB ILE 23 7.041 5.454 4.627 774 HG12 ILE 23 HG12 ILE 23 9.345 4.400 6.282 775 HG13 ILE 23 HG11 ILE 23 8.541 5.931 6.613 776 HG21 ILE 23 HG21 ILE 23 7.354 3.052 4.498 777 HG22 ILE 23 HG22 ILE 23 9.072 3.269 4.166 778 HG23 ILE 23 HG23 ILE 23 7.872 3.806 2.989 779 HD11 ILE 23 HD11 ILE 23 6.450 4.769 7.007 780 HD12 ILE 23 HD12 ILE 23 7.725 4.131 8.045 781 HD13 ILE 23 HD13 ILE 23 7.214 3.229 6.618 782 H HIS 24 HN HIS 24 8.120 8.347 3.455 783 HA HIS 24 HA HIS 24 6.902 7.576 0.915 784 HB2 HIS 24 HB2 HIS 24 6.718 10.307 2.187 785 HB3 HIS 24 HB1 HIS 24 5.614 9.559 1.041 786 HD1 HIS 24 HD1 HIS 24 3.689 8.160 2.024 787 HD2 HIS 24 HD2 HIS 24 6.481 9.396 4.855 788 HE1 HIS 24 HE1 HIS 24 2.700 7.623 4.289 789 H ASP 25 HN ASP 25 9.598 9.295 2.195 790 HA ASP 25 HA ASP 25 10.158 10.511 -0.425 791 HB2 ASP 25 HB2 ASP 25 10.063 11.931 1.680 792 HB3 ASP 25 HB1 ASP 25 11.543 11.124 2.181 793 H ILE 26 HN ILE 26 10.823 7.724 1.053 794 HA ILE 26 HA ILE 26 13.675 7.652 0.649 795 HB ILE 26 HB ILE 26 12.664 6.312 2.446 796 HG12 ILE 26 HG12 ILE 26 13.924 4.568 0.321 797 HG13 ILE 26 HG11 ILE 26 14.817 5.650 1.383 798 HG21 ILE 26 HG21 ILE 26 10.556 5.715 1.398 799 HG22 ILE 26 HG22 ILE 26 11.408 4.267 1.934 800 HG23 ILE 26 HG23 ILE 26 11.403 4.708 0.225 801 HD11 ILE 26 HD11 ILE 26 14.989 3.437 2.242 802 HD12 ILE 26 HD12 ILE 26 13.242 3.213 2.167 803 HD13 ILE 26 HD13 ILE 26 13.936 4.354 3.319 804 H ILE 27 HN ILE 27 14.675 7.217 -1.198 805 HA ILE 27 HA ILE 27 13.060 6.263 -3.447 806 HB ILE 27 HB ILE 27 15.778 7.587 -3.440 807 HG12 ILE 27 HG12 ILE 27 13.989 9.136 -2.843 808 HG13 ILE 27 HG11 ILE 27 14.577 9.491 -4.464 809 HG21 ILE 27 HG21 ILE 27 15.470 7.731 -5.892 810 HG22 ILE 27 HG22 ILE 27 14.035 6.717 -5.744 811 HG23 ILE 27 HG23 ILE 27 15.620 6.073 -5.312 812 HD11 ILE 27 HD11 ILE 27 12.232 9.671 -4.541 813 HD12 ILE 27 HD12 ILE 27 12.011 8.149 -3.681 814 HD13 ILE 27 HD13 ILE 27 12.634 8.147 -5.331 815 H LEU 28 HN LEU 28 13.064 4.137 -3.586 816 HA LEU 28 HA LEU 28 15.653 2.750 -3.591 817 HB2 LEU 28 HB2 LEU 28 13.418 2.302 -1.848 818 HB3 LEU 28 HB1 LEU 28 13.632 0.899 -2.878 819 HG LEU 28 HG LEU 28 16.060 0.878 -2.163 820 HD11 LEU 28 HD11 LEU 28 16.638 2.043 -0.114 821 HD12 LEU 28 HD12 LEU 28 15.042 2.786 -0.065 822 HD13 LEU 28 HD13 LEU 28 16.163 3.191 -1.364 823 HD21 LEU 28 HD21 LEU 28 15.499 -0.047 0.126 824 HD22 LEU 28 HD22 LEU 28 14.645 -0.761 -1.240 825 HD23 LEU 28 HD23 LEU 28 13.827 0.411 -0.207 826 H GLU 29 HN GLU 29 15.895 1.166 -5.150 827 HA GLU 29 HA GLU 29 13.747 1.060 -7.156 828 HB2 GLU 29 HB2 GLU 29 15.766 0.508 -8.718 829 HB3 GLU 29 HB1 GLU 29 15.427 2.176 -8.286 830 HG2 GLU 29 HG2 GLU 29 17.138 1.990 -6.487 831 HG3 GLU 29 HG1 GLU 29 17.535 0.387 -7.103 832 H CYS 30 HN CYS 30 13.875 -0.918 -8.557 833 HA CYS 30 HA CYS 30 13.730 -3.221 -6.922 834 HB2 CYS 30 HB2 CYS 30 12.323 -3.009 -8.895 835 HB3 CYS 30 HB1 CYS 30 13.742 -2.951 -9.935 836 H VAL 31 HN VAL 31 15.018 -4.982 -6.776 837 HA VAL 31 HA VAL 31 17.809 -4.578 -6.987 838 HB VAL 31 HB VAL 31 16.864 -5.975 -5.237 839 HG11 VAL 31 HG11 VAL 31 14.974 -6.925 -6.399 840 HG12 VAL 31 HG12 VAL 31 15.974 -8.214 -5.726 841 HG13 VAL 31 HG13 VAL 31 16.049 -7.848 -7.449 842 HG21 VAL 31 HG21 VAL 31 18.639 -7.516 -7.122 843 HG22 VAL 31 HG22 VAL 31 18.347 -7.938 -5.434 844 HG23 VAL 31 HG23 VAL 31 19.153 -6.422 -5.837 845 H TYR 32 HN TYR 32 15.467 -5.949 -9.174 846 HA TYR 32 HA TYR 32 17.700 -6.822 -10.884 847 HB2 TYR 32 HB2 TYR 32 14.974 -8.022 -10.506 848 HB3 TYR 32 HB1 TYR 32 15.926 -8.346 -11.954 849 HD1 TYR 32 HD2 TYR 32 18.498 -8.968 -11.346 850 HD2 TYR 32 HD1 TYR 32 15.124 -9.591 -8.831 851 HE1 TYR 32 HE2 TYR 32 19.726 -10.728 -10.144 852 HE2 TYR 32 HE1 TYR 32 16.344 -11.350 -7.619 853 HH TYR 32 HH TYR 32 18.299 -12.948 -8.164 854 H CYS 33 HN CYS 33 14.401 -5.465 -10.989 855 HA CYS 33 HA CYS 33 14.503 -4.852 -13.758 856 HB2 CYS 33 HB2 CYS 33 12.792 -3.479 -11.684 857 HB3 CYS 33 HB1 CYS 33 12.462 -3.653 -13.405 858 H LYS 34 HN LYS 34 15.695 -3.283 -10.928 859 HA LYS 34 HA LYS 34 16.973 -1.443 -10.581 860 HB2 LYS 34 HB2 LYS 34 18.011 -2.439 -12.784 861 HB3 LYS 34 HB1 LYS 34 17.313 -1.007 -13.523 862 HG2 LYS 34 HG2 LYS 34 19.595 -0.555 -12.987 863 HG3 LYS 34 HG1 LYS 34 18.571 0.382 -11.897 864 HD2 LYS 34 HD2 LYS 34 18.990 -1.096 -10.092 865 HD3 LYS 34 HD1 LYS 34 19.727 -2.296 -11.155 866 HE2 LYS 34 HE2 LYS 34 21.411 -1.077 -9.862 867 HE3 LYS 34 HE1 LYS 34 21.589 -0.798 -11.593 868 HZ1 LYS 34 HZ1 LYS 34 20.177 1.064 -9.751 869 HZ2 LYS 34 HZ2 LYS 34 20.603 1.343 -11.371 870 HZ3 LYS 34 HZ3 LYS 34 21.805 1.220 -10.192 871 H GLN 35 HN GLN 35 14.014 -1.310 -11.450 872 HA GLN 35 HA GLN 35 13.932 1.517 -12.212 873 HB2 GLN 35 HB2 GLN 35 12.082 1.037 -13.385 874 HB3 GLN 35 HB1 GLN 35 12.430 -0.656 -13.085 875 HG2 GLN 35 HG2 GLN 35 10.958 0.677 -10.934 876 HG3 GLN 35 HG1 GLN 35 10.103 0.605 -12.472 877 HE21 GLN 35 HE21 GLN 35 11.400 -1.212 -9.825 878 HE22 GLN 35 HE22 GLN 35 10.668 -2.729 -10.236 879 H GLN 36 HN GLN 36 13.047 3.061 -10.898 880 HA GLN 36 HA GLN 36 13.098 2.589 -8.120 881 HB2 GLN 36 HB2 GLN 36 12.251 4.909 -7.924 882 HB3 GLN 36 HB1 GLN 36 13.650 4.768 -8.978 883 HG2 GLN 36 HG2 GLN 36 12.128 4.805 -10.930 884 HG3 GLN 36 HG1 GLN 36 10.777 5.073 -9.826 885 HE21 GLN 36 HE21 GLN 36 10.663 7.036 -8.693 886 HE22 GLN 36 HE22 GLN 36 11.513 8.443 -9.235 887 H LEU 37 HN LEU 37 11.511 2.310 -6.635 888 HA LEU 37 HA LEU 37 8.977 1.345 -7.648 889 HB2 LEU 37 HB2 LEU 37 10.474 1.180 -5.113 890 HB3 LEU 37 HB1 LEU 37 8.729 1.197 -4.956 891 HG LEU 37 HG LEU 37 8.751 -0.725 -6.670 892 HD11 LEU 37 HD11 LEU 37 11.051 -0.508 -7.401 893 HD12 LEU 37 HD12 LEU 37 10.802 -2.079 -6.640 894 HD13 LEU 37 HD13 LEU 37 11.622 -0.793 -5.757 895 HD21 LEU 37 HD21 LEU 37 9.834 -1.083 -3.880 896 HD22 LEU 37 HD22 LEU 37 9.160 -2.371 -4.877 897 HD23 LEU 37 HD23 LEU 37 8.137 -1.034 -4.357 898 H LEU 38 HN LEU 38 6.993 2.211 -7.263 899 HA LEU 38 HA LEU 38 6.919 5.033 -6.657 900 HB2 LEU 38 HB2 LEU 38 4.601 3.182 -7.223 901 HB3 LEU 38 HB1 LEU 38 4.599 4.931 -7.314 902 HG LEU 38 HG LEU 38 6.110 3.074 -9.153 903 HD11 LEU 38 HD11 LEU 38 3.730 3.008 -9.566 904 HD12 LEU 38 HD12 LEU 38 4.537 3.900 -10.855 905 HD13 LEU 38 HD13 LEU 38 3.658 4.770 -9.595 906 HD21 LEU 38 HD21 LEU 38 6.562 5.134 -10.444 907 HD22 LEU 38 HD22 LEU 38 7.340 5.123 -8.861 908 HD23 LEU 38 HD23 LEU 38 5.880 6.079 -9.122 909 H ARG 39 HN ARG 39 5.718 5.959 -4.923 910 HA ARG 39 HA ARG 39 6.059 4.777 -2.457 911 HB2 ARG 39 HB2 ARG 39 4.806 6.542 -1.491 912 HB3 ARG 39 HB1 ARG 39 5.659 7.208 -2.867 913 HG2 ARG 39 HG2 ARG 39 2.792 6.340 -3.030 914 HG3 ARG 39 HG1 ARG 39 3.263 7.955 -2.502 915 HD2 ARG 39 HD2 ARG 39 3.507 6.686 -5.194 916 HD3 ARG 39 HD1 ARG 39 2.890 8.277 -4.754 917 HE ARG 39 HE ARG 39 5.589 8.271 -4.119 918 HH11 ARG 39 HH11 ARG 39 3.581 8.044 -6.974 919 HH12 ARG 39 HH12 ARG 39 4.814 8.624 -8.044 920 HH21 ARG 39 HH21 ARG 39 7.210 9.045 -5.511 921 HH22 ARG 39 HH22 ARG 39 6.884 9.203 -7.207 922 H ARG 40 HN ARG 40 3.376 4.367 -4.645 923 HA ARG 40 HA ARG 40 1.482 3.394 -2.814 924 HB2 ARG 40 HB2 ARG 40 0.611 2.117 -4.902 925 HB3 ARG 40 HB1 ARG 40 0.564 3.874 -4.892 926 HG2 ARG 40 HG2 ARG 40 2.461 4.011 -6.319 927 HG3 ARG 40 HG1 ARG 40 2.783 2.284 -6.153 928 HD2 ARG 40 HD2 ARG 40 0.143 3.167 -7.228 929 HD3 ARG 40 HD1 ARG 40 1.560 3.236 -8.278 930 HE ARG 40 HE ARG 40 1.303 0.705 -6.953 931 HH11 ARG 40 HH11 ARG 40 0.138 2.596 -9.677 932 HH12 ARG 40 HH12 ARG 40 -0.234 1.199 -10.637 933 HH21 ARG 40 HH21 ARG 40 0.812 -1.103 -8.199 934 HH22 ARG 40 HH22 ARG 40 0.126 -0.911 -9.786 935 H GLU 41 HN GLU 41 3.958 1.693 -4.716 936 HA GLU 41 HA GLU 41 3.253 -0.871 -3.648 937 HB2 GLU 41 HB2 GLU 41 5.724 0.014 -5.151 938 HB3 GLU 41 HB1 GLU 41 5.320 -1.654 -4.766 939 HG2 GLU 41 HG2 GLU 41 3.925 0.217 -6.647 940 HG3 GLU 41 HG1 GLU 41 4.678 -1.337 -6.999 941 H VAL 42 HN VAL 42 5.468 1.693 -2.823 942 HA VAL 42 HA VAL 42 7.112 0.264 -1.033 943 HB VAL 42 HB VAL 42 6.386 3.204 -0.937 944 HG11 VAL 42 HG11 VAL 42 7.381 2.360 1.152 945 HG12 VAL 42 HG12 VAL 42 8.449 3.488 0.317 946 HG13 VAL 42 HG13 VAL 42 8.762 1.754 0.236 947 HG21 VAL 42 HG21 VAL 42 8.487 3.552 -2.165 948 HG22 VAL 42 HG22 VAL 42 7.333 2.596 -3.094 949 HG23 VAL 42 HG23 VAL 42 8.691 1.808 -2.293 950 H TYR 43 HN TYR 43 3.982 1.826 -0.699 951 HA TYR 43 HA TYR 43 3.761 1.723 2.101 952 HB2 TYR 43 HB2 TYR 43 1.673 1.661 -0.078 953 HB3 TYR 43 HB1 TYR 43 1.253 1.670 1.629 954 HD1 TYR 43 HD2 TYR 43 3.433 3.588 2.554 955 HD2 TYR 43 HD1 TYR 43 0.726 3.716 -0.727 956 HE1 TYR 43 HE2 TYR 43 3.551 6.039 2.556 957 HE2 TYR 43 HE1 TYR 43 0.839 6.171 -0.730 958 HH TYR 43 HH TYR 43 1.373 7.984 0.884 959 H ASP 44 HN ASP 44 2.849 -0.591 -0.426 960 HA ASP 44 HA ASP 44 1.788 -2.500 1.395 961 HB2 ASP 44 HB2 ASP 44 1.264 -2.336 -1.086 962 HB3 ASP 44 HB1 ASP 44 2.825 -3.103 -1.374 963 H PHE 45 HN PHE 45 4.961 -1.801 0.177 964 HA PHE 45 HA PHE 45 6.230 -4.235 0.798 965 HB2 PHE 45 HB2 PHE 45 7.128 -2.181 -0.525 966 HB3 PHE 45 HB1 PHE 45 7.618 -1.575 1.052 967 HD1 PHE 45 HD1 PHE 45 9.360 -2.722 2.341 968 HD2 PHE 45 HD2 PHE 45 8.262 -4.015 -1.565 969 HE1 PHE 45 HE1 PHE 45 11.429 -4.045 2.198 970 HE2 PHE 45 HE2 PHE 45 10.327 -5.342 -1.708 971 HZ PHE 45 HZ PHE 45 11.914 -5.359 0.173 972 H ALA 46 HN ALA 46 5.443 -1.401 2.716 973 HA ALA 46 HA ALA 46 6.787 -2.430 5.073 974 HB1 ALA 46 HB1 ALA 46 6.769 -0.016 4.617 975 HB2 ALA 46 HB2 ALA 46 6.019 -0.399 6.166 976 HB3 ALA 46 HB3 ALA 46 5.013 -0.006 4.772 977 H PHE 47 HN PHE 47 3.722 -2.585 3.595 978 HA PHE 47 HA PHE 47 2.162 -3.138 5.930 979 HB2 PHE 47 HB2 PHE 47 1.223 -2.229 3.800 980 HB3 PHE 47 HB1 PHE 47 1.567 -3.772 3.029 981 HD1 PHE 47 HD1 PHE 47 -0.353 -2.238 5.806 982 HD2 PHE 47 HD2 PHE 47 0.003 -5.476 3.073 983 HE1 PHE 47 HE1 PHE 47 -2.565 -3.065 6.501 984 HE2 PHE 47 HE2 PHE 47 -2.203 -6.311 3.761 985 HZ PHE 47 HZ PHE 47 -3.492 -5.103 5.478 986 H ARG 48 HN ARG 48 3.791 -5.020 3.449 987 HA ARG 48 HA ARG 48 3.054 -7.513 4.783 988 HB2 ARG 48 HB2 ARG 48 4.097 -6.777 2.095 989 HB3 ARG 48 HB1 ARG 48 4.565 -8.345 2.732 990 HG2 ARG 48 HG2 ARG 48 2.150 -8.855 3.066 991 HG3 ARG 48 HG1 ARG 48 1.773 -7.343 2.240 992 HD2 ARG 48 HD2 ARG 48 3.535 -9.415 0.980 993 HD3 ARG 48 HD1 ARG 48 1.780 -9.523 0.869 994 HE ARG 48 HE ARG 48 2.376 -6.967 0.066 995 HH11 ARG 48 HH11 ARG 48 3.337 -10.179 -1.002 996 HH12 ARG 48 HH12 ARG 48 3.526 -9.689 -2.656 997 HH21 ARG 48 HH21 ARG 48 2.628 -6.341 -2.063 998 HH22 ARG 48 HH22 ARG 48 3.118 -7.498 -3.272 999 H ASP 49 HN ASP 49 4.796 -9.119 5.155 1000 HA ASP 49 HA ASP 49 7.039 -7.823 6.458 1001 HB2 ASP 49 HB2 ASP 49 5.818 -9.695 7.552 1002 HB3 ASP 49 HB1 ASP 49 6.363 -10.767 6.267 1003 H LEU 50 HN LEU 50 8.401 -7.085 4.882 1004 HA LEU 50 HA LEU 50 9.694 -9.162 3.258 1005 HB2 LEU 50 HB2 LEU 50 8.971 -6.392 2.287 1006 HB3 LEU 50 HB1 LEU 50 9.820 -7.621 1.368 1007 HG LEU 50 HG LEU 50 7.063 -8.162 2.420 1008 HD11 LEU 50 HD11 LEU 50 6.167 -7.381 0.268 1009 HD12 LEU 50 HD12 LEU 50 7.756 -6.728 -0.137 1010 HD13 LEU 50 HD13 LEU 50 6.855 -6.075 1.232 1011 HD21 LEU 50 HD21 LEU 50 6.975 -9.713 0.573 1012 HD22 LEU 50 HD22 LEU 50 8.436 -10.005 1.517 1013 HD23 LEU 50 HD23 LEU 50 8.536 -9.146 -0.020 1014 H CYS 51 HN CYS 51 11.882 -8.939 2.982 1015 HA CYS 51 HA CYS 51 13.166 -6.943 4.703 1016 HB2 CYS 51 HB2 CYS 51 14.568 -9.288 3.448 1017 HB3 CYS 51 HB1 CYS 51 14.970 -8.426 4.929 1018 HG CYS 51 HG CYS 51 12.683 -9.455 6.303 1019 H ILE 52 HN ILE 52 15.077 -5.837 3.924 1020 HA ILE 52 HA ILE 52 14.795 -5.011 1.173 1021 HB ILE 52 HB ILE 52 16.874 -4.179 3.207 1022 HG12 ILE 52 HG12 ILE 52 14.333 -2.741 2.427 1023 HG13 ILE 52 HG11 ILE 52 14.482 -3.750 3.864 1024 HG21 ILE 52 HG21 ILE 52 16.022 -2.896 0.611 1025 HG22 ILE 52 HG22 ILE 52 17.568 -3.683 0.930 1026 HG23 ILE 52 HG23 ILE 52 17.144 -2.195 1.776 1027 HD11 ILE 52 HD11 ILE 52 15.180 -1.960 4.960 1028 HD12 ILE 52 HD12 ILE 52 15.228 -1.016 3.472 1029 HD13 ILE 52 HD13 ILE 52 16.633 -1.965 3.959 1030 H VAL 53 HN VAL 53 16.018 -5.583 -0.524 1031 HA VAL 53 HA VAL 53 18.002 -7.686 -0.128 1032 HB VAL 53 HB VAL 53 17.165 -6.600 -2.807 1033 HG11 VAL 53 HG11 VAL 53 18.107 -9.302 -1.859 1034 HG12 VAL 53 HG12 VAL 53 19.034 -8.132 -2.797 1035 HG13 VAL 53 HG13 VAL 53 17.629 -8.922 -3.514 1036 HG21 VAL 53 HG21 VAL 53 15.673 -8.639 -1.157 1037 HG22 VAL 53 HG22 VAL 53 15.378 -8.310 -2.865 1038 HG23 VAL 53 HG23 VAL 53 15.084 -7.054 -1.661 1039 H TYR 54 HN TYR 54 20.167 -7.412 -0.506 1040 HA TYR 54 HA TYR 54 20.984 -4.717 -1.353 1041 HB2 TYR 54 HB2 TYR 54 22.049 -6.463 0.844 1042 HB3 TYR 54 HB1 TYR 54 23.047 -5.202 0.126 1043 HD1 TYR 54 HD1 TYR 54 22.108 -2.831 0.094 1044 HD2 TYR 54 HD2 TYR 54 20.526 -5.927 2.544 1045 HE1 TYR 54 HE1 TYR 54 21.040 -1.146 1.523 1046 HE2 TYR 54 HE2 TYR 54 19.450 -4.248 3.984 1047 HH TYR 54 HH TYR 54 19.016 -1.087 3.092 1048 H ARG 55 HN ARG 55 21.780 -4.823 -3.305 1049 HA ARG 55 HA ARG 55 23.461 -7.110 -4.070 1050 HB2 ARG 55 HB2 ARG 55 21.608 -5.341 -5.527 1051 HB3 ARG 55 HB1 ARG 55 23.138 -5.609 -6.350 1052 HG2 ARG 55 HG2 ARG 55 21.637 -7.951 -5.281 1053 HG3 ARG 55 HG1 ARG 55 21.097 -7.180 -6.772 1054 HD2 ARG 55 HD2 ARG 55 23.909 -8.154 -6.300 1055 HD3 ARG 55 HD1 ARG 55 22.658 -9.104 -7.097 1056 HE ARG 55 HE ARG 55 23.223 -6.476 -8.221 1057 HH11 ARG 55 HH11 ARG 55 23.742 -9.938 -8.399 1058 HH12 ARG 55 HH12 ARG 55 24.228 -9.903 -10.062 1059 HH21 ARG 55 HH21 ARG 55 23.867 -6.428 -10.403 1060 HH22 ARG 55 HH22 ARG 55 24.301 -7.905 -11.206 1061 H ASP 56 HN ASP 56 25.557 -6.779 -3.858 1062 HA ASP 56 HA ASP 56 27.620 -5.844 -3.904 1063 HB2 ASP 56 HB2 ASP 56 27.294 -4.830 -6.021 1064 HB3 ASP 56 HB1 ASP 56 26.167 -3.645 -5.370 1065 H GLY 57 HN GLY 57 25.176 -3.393 -3.069 1066 HA2 GLY 57 HA2 GLY 57 25.822 -3.224 -0.371 1067 HA3 GLY 57 HA1 GLY 57 26.817 -2.035 -1.196 1068 H ASN 58 HN ASN 58 24.682 -1.647 -3.246 1069 HA ASN 58 HA ASN 58 23.340 0.503 -1.949 1070 HB2 ASN 58 HB2 ASN 58 23.342 -0.666 -4.700 1071 HB3 ASN 58 HB1 ASN 58 22.020 0.404 -4.247 1072 HD21 ASN 58 HD21 ASN 58 24.060 0.811 -6.239 1073 HD22 ASN 58 HD22 ASN 58 24.892 2.258 -5.796 1074 HA PRO 59 HA PRO 59 19.763 -1.671 -0.524 1075 HB2 PRO 59 HB2 PRO 59 18.083 0.431 -0.184 1076 HB3 PRO 59 HB1 PRO 59 19.462 0.134 0.890 1077 HG2 PRO 59 HG2 PRO 59 19.202 2.073 -1.348 1078 HG3 PRO 59 HG1 PRO 59 19.978 2.270 0.234 1079 HD2 PRO 59 HD2 PRO 59 21.357 1.769 -2.068 1080 HD3 PRO 59 HD1 PRO 59 21.929 1.304 -0.452 1081 H TYR 60 HN TYR 60 18.452 -2.877 -1.747 1082 HA TYR 60 HA TYR 60 16.992 -1.554 -3.932 1083 HB2 TYR 60 HB2 TYR 60 18.266 -4.291 -3.877 1084 HB3 TYR 60 HB1 TYR 60 17.073 -3.811 -5.081 1085 HD1 TYR 60 HD1 TYR 60 17.604 -1.688 -6.450 1086 HD2 TYR 60 HD2 TYR 60 20.521 -3.857 -4.247 1087 HE1 TYR 60 HE1 TYR 60 19.378 -0.672 -7.815 1088 HE2 TYR 60 HE2 TYR 60 22.307 -2.848 -5.605 1089 HH TYR 60 HH TYR 60 21.802 -0.168 -7.599 1090 H ALA 61 HN ALA 61 14.905 -2.278 -4.352 1091 HA ALA 61 HA ALA 61 13.677 -3.788 -2.137 1092 HB1 ALA 61 HB1 ALA 61 12.976 -1.455 -2.116 1093 HB2 ALA 61 HB2 ALA 61 11.623 -2.495 -2.560 1094 HB3 ALA 61 HB3 ALA 61 12.472 -1.575 -3.803 1095 H VAL 62 HN VAL 62 11.289 -4.410 -3.061 1096 HA VAL 62 HA VAL 62 11.770 -5.876 -5.571 1097 HB VAL 62 HB VAL 62 9.870 -6.799 -3.421 1098 HG11 VAL 62 HG11 VAL 62 11.279 -8.284 -5.631 1099 HG12 VAL 62 HG12 VAL 62 9.602 -7.735 -5.665 1100 HG13 VAL 62 HG13 VAL 62 10.107 -8.960 -4.499 1101 HG21 VAL 62 HG21 VAL 62 12.760 -7.624 -3.693 1102 HG22 VAL 62 HG22 VAL 62 11.578 -8.317 -2.583 1103 HG23 VAL 62 HG23 VAL 62 12.084 -6.640 -2.394 1104 H CYS 63 HN CYS 63 10.483 -5.189 -7.177 1105 HA CYS 63 HA CYS 63 8.237 -3.480 -6.603 1106 HB2 CYS 63 HB2 CYS 63 8.021 -3.582 -9.177 1107 HB3 CYS 63 HB1 CYS 63 9.432 -2.786 -8.489 1108 H ASP 64 HN ASP 64 6.178 -3.881 -7.916 1109 HA ASP 64 HA ASP 64 4.787 -6.052 -6.917 1110 HB2 ASP 64 HB2 ASP 64 3.700 -4.038 -7.791 1111 HB3 ASP 64 HB1 ASP 64 4.225 -4.447 -9.421 1112 H LYS 65 HN LYS 65 6.559 -5.740 -9.922 1113 HA LYS 65 HA LYS 65 5.597 -8.063 -11.201 1114 HB2 LYS 65 HB2 LYS 65 8.322 -6.820 -11.568 1115 HB3 LYS 65 HB1 LYS 65 7.402 -7.753 -12.743 1116 HG2 LYS 65 HG2 LYS 65 6.214 -5.973 -13.403 1117 HG3 LYS 65 HG1 LYS 65 6.006 -5.382 -11.753 1118 HD2 LYS 65 HD2 LYS 65 7.298 -3.770 -12.972 1119 HD3 LYS 65 HD1 LYS 65 8.359 -4.572 -11.814 1120 HE2 LYS 65 HE2 LYS 65 8.982 -6.138 -13.717 1121 HE3 LYS 65 HE1 LYS 65 8.192 -4.979 -14.782 1122 HZ1 LYS 65 HZ1 LYS 65 10.685 -4.732 -13.280 1123 HZ2 LYS 65 HZ2 LYS 65 9.753 -3.330 -13.480 1124 HZ3 LYS 65 HZ3 LYS 65 10.297 -4.183 -14.836 1125 H CYS 66 HN CYS 66 8.642 -7.505 -9.424 1126 HA CYS 66 HA CYS 66 9.382 -10.254 -9.511 1127 HB2 CYS 66 HB2 CYS 66 10.470 -8.135 -7.662 1128 HB3 CYS 66 HB1 CYS 66 11.274 -9.605 -8.200 1129 H LEU 67 HN LEU 67 7.531 -8.300 -7.304 1130 HA LEU 67 HA LEU 67 7.761 -9.800 -4.964 1131 HB2 LEU 67 HB2 LEU 67 5.814 -7.861 -6.038 1132 HB3 LEU 67 HB1 LEU 67 5.235 -8.896 -4.748 1133 HG LEU 67 HG LEU 67 7.729 -7.213 -4.530 1134 HD11 LEU 67 HD11 LEU 67 4.936 -6.626 -3.557 1135 HD12 LEU 67 HD12 LEU 67 5.791 -5.762 -4.834 1136 HD13 LEU 67 HD13 LEU 67 6.376 -5.688 -3.171 1137 HD21 LEU 67 HD21 LEU 67 6.043 -8.532 -2.406 1138 HD22 LEU 67 HD22 LEU 67 7.566 -7.673 -2.176 1139 HD23 LEU 67 HD23 LEU 67 7.539 -9.203 -3.050 1140 H LYS 68 HN LYS 68 5.724 -10.373 -7.783 1141 HA LYS 68 HA LYS 68 4.191 -12.436 -6.473 1142 HB2 LYS 68 HB2 LYS 68 3.179 -12.826 -8.639 1143 HB3 LYS 68 HB1 LYS 68 3.271 -11.093 -8.351 1144 HG2 LYS 68 HG2 LYS 68 5.312 -11.018 -9.747 1145 HG3 LYS 68 HG1 LYS 68 5.085 -12.734 -10.098 1146 HD2 LYS 68 HD2 LYS 68 2.986 -12.292 -11.177 1147 HD3 LYS 68 HD1 LYS 68 3.047 -10.593 -10.693 1148 HE2 LYS 68 HE2 LYS 68 4.975 -10.216 -12.095 1149 HE3 LYS 68 HE1 LYS 68 5.075 -11.934 -12.485 1150 HZ1 LYS 68 HZ1 LYS 68 2.903 -10.063 -13.258 1151 HZ2 LYS 68 HZ2 LYS 68 2.872 -11.731 -13.535 1152 HZ3 LYS 68 HZ3 LYS 68 4.044 -10.774 -14.284 1153 H PHE 69 HN PHE 69 7.192 -12.248 -8.136 1154 HA PHE 69 HA PHE 69 7.320 -15.008 -8.904 1155 HB2 PHE 69 HB2 PHE 69 9.237 -12.714 -8.949 1156 HB3 PHE 69 HB1 PHE 69 9.847 -14.351 -9.149 1157 HD1 PHE 69 HD2 PHE 69 8.931 -15.756 -11.021 1158 HD2 PHE 69 HD1 PHE 69 8.258 -11.567 -10.735 1159 HE1 PHE 69 HE2 PHE 69 8.360 -15.684 -13.407 1160 HE2 PHE 69 HE1 PHE 69 7.687 -11.487 -13.126 1161 HZ PHE 69 HZ PHE 69 7.733 -13.553 -14.466 1162 H TYR 70 HN TYR 70 8.926 -13.059 -6.406 1163 HA TYR 70 HA TYR 70 10.052 -15.472 -5.240 1164 HB2 TYR 70 HB2 TYR 70 10.374 -12.590 -4.392 1165 HB3 TYR 70 HB1 TYR 70 11.332 -13.958 -3.831 1166 HD1 TYR 70 HD1 TYR 70 12.630 -15.280 -5.645 1167 HD2 TYR 70 HD2 TYR 70 11.102 -11.352 -6.230 1168 HE1 TYR 70 HE1 TYR 70 14.196 -14.953 -7.513 1169 HE2 TYR 70 HE2 TYR 70 12.666 -11.018 -8.097 1170 HH TYR 70 HH TYR 70 14.712 -11.870 -8.959 Start of MODEL 18 1 H MET 1 HT1 MET 1 -23.771 -5.160 -4.213 2 HA MET 1 HA MET 1 -25.816 -4.970 -3.141 3 HB2 MET 1 HB2 MET 1 -27.685 -6.542 -3.607 4 HB3 MET 1 HB1 MET 1 -27.299 -5.509 -4.973 5 HG2 MET 1 HG2 MET 1 -26.004 -7.380 -5.958 6 HG3 MET 1 HG1 MET 1 -26.551 -8.402 -4.631 7 HE1 MET 1 HE1 MET 1 -30.341 -8.775 -5.258 8 HE2 MET 1 HE2 MET 1 -29.602 -7.573 -4.199 9 HE3 MET 1 HE3 MET 1 -28.952 -9.211 -4.265 10 H PHE 2 HN PHE 2 -25.428 -5.642 -1.164 11 HA PHE 2 HA PHE 2 -24.875 -8.480 -0.695 12 HB2 PHE 2 HB2 PHE 2 -22.944 -6.372 -0.463 13 HB3 PHE 2 HB1 PHE 2 -23.294 -7.002 1.143 14 HD1 PHE 2 HD1 PHE 2 -23.044 -8.626 -2.205 15 HD2 PHE 2 HD2 PHE 2 -21.594 -8.406 1.790 16 HE1 PHE 2 HE1 PHE 2 -21.561 -10.540 -2.643 17 HE2 PHE 2 HE2 PHE 2 -20.109 -10.316 1.359 18 HZ PHE 2 HZ PHE 2 -20.089 -11.389 -0.856 19 H GLN 3 HN GLN 3 -26.150 -9.234 0.849 20 HA GLN 3 HA GLN 3 -27.050 -7.450 2.998 21 HB2 GLN 3 HB2 GLN 3 -28.929 -9.397 1.679 22 HB3 GLN 3 HB1 GLN 3 -29.321 -8.115 2.810 23 HG2 GLN 3 HG2 GLN 3 -30.020 -7.107 0.922 24 HG3 GLN 3 HG1 GLN 3 -28.326 -6.627 0.840 25 HE21 GLN 3 HE21 GLN 3 -29.554 -9.860 0.220 26 HE22 GLN 3 HE22 GLN 3 -29.162 -9.885 -1.464 27 H ASP 4 HN ASP 4 -28.756 -9.377 4.192 28 HA ASP 4 HA ASP 4 -27.142 -10.759 5.906 29 HB2 ASP 4 HB2 ASP 4 -29.476 -10.506 6.383 30 HB3 ASP 4 HB1 ASP 4 -29.932 -11.405 4.941 31 HA PRO 5 HA PRO 5 -26.922 -12.632 7.116 32 HB2 PRO 5 HB2 PRO 5 -24.708 -14.081 7.657 33 HB3 PRO 5 HB1 PRO 5 -26.279 -14.844 7.337 34 HG2 PRO 5 HG2 PRO 5 -23.946 -14.499 5.522 35 HG3 PRO 5 HG1 PRO 5 -25.015 -15.900 5.732 36 HD2 PRO 5 HD2 PRO 5 -25.260 -14.107 3.679 37 HD3 PRO 5 HD1 PRO 5 -26.609 -15.064 4.325 38 H GLN 6 HN GLN 6 -24.874 -11.533 4.696 39 HA GLN 6 HA GLN 6 -22.763 -10.476 6.312 40 HB2 GLN 6 HB2 GLN 6 -23.658 -9.837 3.496 41 HB3 GLN 6 HB1 GLN 6 -22.250 -9.110 4.254 42 HG2 GLN 6 HG2 GLN 6 -21.345 -10.826 3.009 43 HG3 GLN 6 HG1 GLN 6 -21.459 -11.529 4.618 44 HE21 GLN 6 HE21 GLN 6 -24.233 -11.084 2.518 45 HE22 GLN 6 HE22 GLN 6 -24.499 -12.763 2.215 46 H GLU 7 HN GLU 7 -22.918 -8.800 7.637 47 HA GLU 7 HA GLU 7 -25.233 -7.043 7.422 48 HB2 GLU 7 HB2 GLU 7 -24.443 -8.084 9.618 49 HB3 GLU 7 HB1 GLU 7 -23.110 -6.938 9.561 50 HG2 GLU 7 HG2 GLU 7 -24.926 -6.133 10.974 51 HG3 GLU 7 HG1 GLU 7 -24.678 -5.080 9.580 52 H ARG 8 HN ARG 8 -21.970 -7.156 6.551 53 HA ARG 8 HA ARG 8 -20.608 -5.709 5.461 54 HB2 ARG 8 HB2 ARG 8 -22.949 -3.794 5.451 55 HB3 ARG 8 HB1 ARG 8 -21.496 -3.665 4.470 56 HG2 ARG 8 HG2 ARG 8 -22.238 -5.137 2.953 57 HG3 ARG 8 HG1 ARG 8 -22.933 -6.200 4.179 58 HD2 ARG 8 HD2 ARG 8 -24.146 -3.620 3.192 59 HD3 ARG 8 HD1 ARG 8 -24.656 -5.244 2.725 60 HE ARG 8 HE ARG 8 -24.694 -4.722 5.569 61 HH11 ARG 8 HH11 ARG 8 -26.521 -4.672 2.584 62 HH12 ARG 8 HH12 ARG 8 -28.062 -4.717 3.380 63 HH21 ARG 8 HH21 ARG 8 -26.721 -4.816 6.620 64 HH22 ARG 8 HH22 ARG 8 -28.172 -4.796 5.671 65 HA PRO 9 HA PRO 9 -19.675 -3.680 9.472 66 HB2 PRO 9 HB2 PRO 9 -17.019 -4.294 9.408 67 HB3 PRO 9 HB1 PRO 9 -18.253 -5.416 10.010 68 HG2 PRO 9 HG2 PRO 9 -16.897 -5.351 7.367 69 HG3 PRO 9 HG1 PRO 9 -17.320 -6.739 8.389 70 HD2 PRO 9 HD2 PRO 9 -18.781 -6.006 6.227 71 HD3 PRO 9 HD1 PRO 9 -19.486 -6.793 7.652 72 H ARG 10 HN ARG 10 -18.161 -1.915 9.969 73 HA ARG 10 HA ARG 10 -17.746 -0.249 7.603 74 HB2 ARG 10 HB2 ARG 10 -18.164 0.272 10.498 75 HB3 ARG 10 HB1 ARG 10 -17.174 1.425 9.615 76 HG2 ARG 10 HG2 ARG 10 -19.437 2.201 9.638 77 HG3 ARG 10 HG1 ARG 10 -19.030 1.705 7.996 78 HD2 ARG 10 HD2 ARG 10 -20.136 -0.462 8.419 79 HD3 ARG 10 HD1 ARG 10 -20.611 0.119 10.015 80 HE ARG 10 HE ARG 10 -21.594 2.011 8.336 81 HH11 ARG 10 HH11 ARG 10 -21.914 -1.470 8.500 82 HH12 ARG 10 HH12 ARG 10 -23.493 -1.482 7.785 83 HH21 ARG 10 HH21 ARG 10 -23.678 1.987 7.388 84 HH22 ARG 10 HH22 ARG 10 -24.501 0.474 7.165 85 H LYS 11 HN LYS 11 -15.992 -2.514 8.530 86 HA LYS 11 HA LYS 11 -13.473 -1.001 8.564 87 HB2 LYS 11 HB2 LYS 11 -14.231 -3.457 10.132 88 HB3 LYS 11 HB1 LYS 11 -12.549 -3.090 9.775 89 HG2 LYS 11 HG2 LYS 11 -14.447 -1.289 11.269 90 HG3 LYS 11 HG1 LYS 11 -13.210 -2.314 11.996 91 HD2 LYS 11 HD2 LYS 11 -11.498 -1.075 10.678 92 HD3 LYS 11 HD1 LYS 11 -12.770 0.017 10.132 93 HE2 LYS 11 HE2 LYS 11 -13.205 0.712 12.398 94 HE3 LYS 11 HE1 LYS 11 -12.058 -0.476 13.017 95 HZ1 LYS 11 HZ1 LYS 11 -10.260 0.709 12.045 96 HZ2 LYS 11 HZ2 LYS 11 -11.194 1.838 12.886 97 HZ3 LYS 11 HZ3 LYS 11 -11.294 1.748 11.202 98 H LEU 12 HN LEU 12 -12.219 -1.391 6.916 99 HA LEU 12 HA LEU 12 -12.899 -2.912 4.730 100 HB2 LEU 12 HB2 LEU 12 -11.318 -1.058 4.685 101 HB3 LEU 12 HB1 LEU 12 -10.148 -2.022 5.564 102 HG LEU 12 HG LEU 12 -10.094 -3.613 3.638 103 HD11 LEU 12 HD11 LEU 12 -11.766 -1.480 2.319 104 HD12 LEU 12 HD12 LEU 12 -12.247 -3.143 2.650 105 HD13 LEU 12 HD13 LEU 12 -10.972 -2.812 1.478 106 HD21 LEU 12 HD21 LEU 12 -8.792 -2.108 2.173 107 HD22 LEU 12 HD22 LEU 12 -8.361 -1.967 3.876 108 HD23 LEU 12 HD23 LEU 12 -9.371 -0.736 3.117 109 HA PRO 13 HA PRO 13 -9.648 -6.355 6.072 110 HB2 PRO 13 HB2 PRO 13 -9.564 -6.636 8.843 111 HB3 PRO 13 HB1 PRO 13 -8.314 -5.865 7.851 112 HG2 PRO 13 HG2 PRO 13 -10.503 -4.617 9.424 113 HG3 PRO 13 HG1 PRO 13 -8.827 -4.083 9.190 114 HD2 PRO 13 HD2 PRO 13 -10.835 -2.916 7.877 115 HD3 PRO 13 HD1 PRO 13 -9.258 -3.185 7.104 116 H GLN 14 HN GLN 14 -12.474 -5.597 8.065 117 HA GLN 14 HA GLN 14 -13.183 -8.390 8.333 118 HB2 GLN 14 HB2 GLN 14 -13.586 -6.431 10.018 119 HB3 GLN 14 HB1 GLN 14 -15.011 -6.123 9.034 120 HG2 GLN 14 HG2 GLN 14 -15.669 -8.509 9.408 121 HG3 GLN 14 HG1 GLN 14 -14.348 -8.618 10.571 122 HE21 GLN 14 HE21 GLN 14 -17.171 -8.944 11.037 123 HE22 GLN 14 HE22 GLN 14 -17.621 -7.751 12.205 124 H LEU 15 HN LEU 15 -14.118 -5.599 6.438 125 HA LEU 15 HA LEU 15 -16.508 -6.578 5.333 126 HB2 LEU 15 HB2 LEU 15 -15.762 -4.230 5.205 127 HB3 LEU 15 HB1 LEU 15 -14.480 -4.703 4.110 128 HG LEU 15 HG LEU 15 -16.242 -5.466 2.498 129 HD11 LEU 15 HD11 LEU 15 -18.094 -5.787 4.003 130 HD12 LEU 15 HD12 LEU 15 -18.516 -4.539 2.831 131 HD13 LEU 15 HD13 LEU 15 -18.059 -4.088 4.473 132 HD21 LEU 15 HD21 LEU 15 -16.785 -3.209 1.745 133 HD22 LEU 15 HD22 LEU 15 -15.102 -3.326 2.262 134 HD23 LEU 15 HD23 LEU 15 -16.297 -2.565 3.314 135 H CYS 16 HN CYS 16 -13.142 -6.945 4.382 136 HA CYS 16 HA CYS 16 -13.516 -8.178 1.900 137 HB2 CYS 16 HB2 CYS 16 -11.287 -8.648 3.900 138 HB3 CYS 16 HB1 CYS 16 -11.231 -9.038 2.183 139 HG CYS 16 HG CYS 16 -11.502 -5.875 3.466 140 H THR 17 HN THR 17 -13.552 -9.483 5.166 141 HA THR 17 HA THR 17 -13.557 -12.218 4.481 142 HB THR 17 HB THR 17 -14.857 -11.012 6.926 143 HG1 THR 17 HG1 THR 17 -12.115 -11.495 6.329 144 HG21 THR 17 HG21 THR 17 -14.137 -13.114 7.986 145 HG22 THR 17 HG22 THR 17 -13.487 -13.665 6.443 146 HG23 THR 17 HG23 THR 17 -15.223 -13.411 6.630 147 H GLU 18 HN GLU 18 -16.143 -9.857 4.975 148 HA GLU 18 HA GLU 18 -18.311 -11.648 4.807 149 HB2 GLU 18 HB2 GLU 18 -18.163 -8.711 4.088 150 HB3 GLU 18 HB1 GLU 18 -19.654 -9.626 4.256 151 HG2 GLU 18 HG2 GLU 18 -17.939 -9.869 6.583 152 HG3 GLU 18 HG1 GLU 18 -18.377 -8.199 6.230 153 H LEU 19 HN LEU 19 -16.462 -9.922 2.364 154 HA LEU 19 HA LEU 19 -18.172 -10.866 0.219 155 HB2 LEU 19 HB2 LEU 19 -15.846 -9.013 0.415 156 HB3 LEU 19 HB1 LEU 19 -16.196 -9.748 -1.137 157 HG LEU 19 HG LEU 19 -18.617 -8.841 -0.714 158 HD11 LEU 19 HD11 LEU 19 -16.990 -6.951 0.979 159 HD12 LEU 19 HD12 LEU 19 -18.158 -8.118 1.596 160 HD13 LEU 19 HD13 LEU 19 -18.697 -6.797 0.562 161 HD21 LEU 19 HD21 LEU 19 -17.177 -8.142 -2.538 162 HD22 LEU 19 HD22 LEU 19 -16.309 -7.050 -1.458 163 HD23 LEU 19 HD23 LEU 19 -18.006 -6.752 -1.837 164 H GLN 20 HN GLN 20 -15.867 -12.302 2.006 165 HA GLN 20 HA GLN 20 -14.550 -14.140 1.788 166 HB2 GLN 20 HB2 GLN 20 -16.207 -14.544 -0.711 167 HB3 GLN 20 HB1 GLN 20 -15.131 -15.751 -0.022 168 HG2 GLN 20 HG2 GLN 20 -17.496 -14.563 1.410 169 HG3 GLN 20 HG1 GLN 20 -17.525 -16.088 0.527 170 HE21 GLN 20 HE21 GLN 20 -16.572 -14.469 3.405 171 HE22 GLN 20 HE22 GLN 20 -16.011 -15.868 4.252 172 H THR 21 HN THR 21 -13.312 -11.829 0.980 173 HA THR 21 HA THR 21 -11.411 -12.863 -0.948 174 HB THR 21 HB THR 21 -13.124 -11.710 -2.351 175 HG1 THR 21 HG1 THR 21 -11.588 -10.753 -3.613 176 HG21 THR 21 HG21 THR 21 -13.813 -9.965 -0.792 177 HG22 THR 21 HG22 THR 21 -13.240 -9.252 -2.300 178 HG23 THR 21 HG23 THR 21 -12.208 -9.241 -0.868 179 H THR 22 HN THR 22 -9.885 -10.628 -1.375 180 HA THR 22 HA THR 22 -9.208 -9.737 1.355 181 HB THR 22 HB THR 22 -6.811 -9.691 0.594 182 HG1 THR 22 HG1 THR 22 -7.578 -11.492 -1.449 183 HG21 THR 22 HG21 THR 22 -6.452 -12.110 0.856 184 HG22 THR 22 HG22 THR 22 -8.177 -12.384 0.606 185 HG23 THR 22 HG23 THR 22 -7.623 -11.489 2.021 186 H ILE 23 HN ILE 23 -7.516 -7.847 1.125 187 HA ILE 23 HA ILE 23 -8.887 -5.667 -0.047 188 HB ILE 23 HB ILE 23 -6.016 -5.673 0.890 189 HG12 ILE 23 HG12 ILE 23 -8.453 -5.111 2.586 190 HG13 ILE 23 HG11 ILE 23 -7.649 -6.677 2.551 191 HG21 ILE 23 HG21 ILE 23 -6.505 -3.316 1.455 192 HG22 ILE 23 HG22 ILE 23 -8.096 -3.497 0.716 193 HG23 ILE 23 HG23 ILE 23 -6.642 -3.654 -0.270 194 HD11 ILE 23 HD11 ILE 23 -6.373 -4.078 3.371 195 HD12 ILE 23 HD12 ILE 23 -5.611 -5.669 3.395 196 HD13 ILE 23 HD13 ILE 23 -6.969 -5.325 4.466 197 H HIS 24 HN HIS 24 -6.587 -7.876 -1.275 198 HA HIS 24 HA HIS 24 -5.531 -6.111 -3.306 199 HB2 HIS 24 HB2 HIS 24 -5.205 -9.103 -3.268 200 HB3 HIS 24 HB1 HIS 24 -4.126 -7.893 -3.947 201 HD1 HIS 24 HD1 HIS 24 -4.142 -10.154 -1.285 202 HD2 HIS 24 HD2 HIS 24 -3.252 -6.106 -1.565 203 HE1 HIS 24 HE1 HIS 24 -2.703 -9.606 0.720 204 H ASP 25 HN ASP 25 -8.415 -7.688 -2.970 205 HA ASP 25 HA ASP 25 -8.748 -7.844 -5.888 206 HB2 ASP 25 HB2 ASP 25 -8.517 -10.120 -5.117 207 HB3 ASP 25 HB1 ASP 25 -9.710 -9.856 -3.852 208 H ILE 26 HN ILE 26 -10.133 -7.092 -2.782 209 HA ILE 26 HA ILE 26 -12.816 -6.818 -3.437 210 HB ILE 26 HB ILE 26 -11.870 -6.684 -1.133 211 HG12 ILE 26 HG12 ILE 26 -13.612 -4.309 -1.807 212 HG13 ILE 26 HG11 ILE 26 -14.202 -5.968 -1.757 213 HG21 ILE 26 HG21 ILE 26 -11.021 -4.598 -0.272 214 HG22 ILE 26 HG22 ILE 26 -11.231 -3.825 -1.844 215 HG23 ILE 26 HG23 ILE 26 -10.039 -5.110 -1.645 216 HD11 ILE 26 HD11 ILE 26 -14.721 -4.808 0.299 217 HD12 ILE 26 HD12 ILE 26 -13.014 -4.434 0.543 218 HD13 ILE 26 HD13 ILE 26 -13.569 -6.107 0.604 219 H ILE 27 HN ILE 27 -14.021 -5.342 -4.470 220 HA ILE 27 HA ILE 27 -12.602 -3.141 -5.794 221 HB ILE 27 HB ILE 27 -15.276 -4.377 -6.475 222 HG12 ILE 27 HG12 ILE 27 -13.412 -5.891 -6.938 223 HG13 ILE 27 HG11 ILE 27 -14.096 -5.286 -8.444 224 HG21 ILE 27 HG21 ILE 27 -15.165 -3.038 -8.519 225 HG22 ILE 27 HG22 ILE 27 -13.665 -2.300 -7.959 226 HG23 ILE 27 HG23 ILE 27 -15.169 -2.013 -7.085 227 HD11 ILE 27 HD11 ILE 27 -11.579 -4.305 -7.121 228 HD12 ILE 27 HD12 ILE 27 -12.258 -3.683 -8.623 229 HD13 ILE 27 HD13 ILE 27 -11.675 -5.345 -8.540 230 H LEU 28 HN LEU 28 -12.805 -1.223 -4.909 231 HA LEU 28 HA LEU 28 -15.368 -0.482 -3.656 232 HB2 LEU 28 HB2 LEU 28 -12.744 -0.587 -2.509 233 HB3 LEU 28 HB1 LEU 28 -13.261 1.084 -2.571 234 HG LEU 28 HG LEU 28 -15.251 0.557 -1.266 235 HD11 LEU 28 HD11 LEU 28 -15.745 -1.602 -0.430 236 HD12 LEU 28 HD12 LEU 28 -14.214 -2.254 -1.007 237 HD13 LEU 28 HD13 LEU 28 -15.466 -1.793 -2.160 238 HD21 LEU 28 HD21 LEU 28 -13.084 1.081 -0.140 239 HD22 LEU 28 HD22 LEU 28 -12.828 -0.651 0.053 240 HD23 LEU 28 HD23 LEU 28 -14.202 0.128 0.837 241 H GLU 29 HN GLU 29 -16.177 1.520 -4.198 242 HA GLU 29 HA GLU 29 -14.551 3.122 -6.054 243 HB2 GLU 29 HB2 GLU 29 -16.905 3.788 -6.992 244 HB3 GLU 29 HB1 GLU 29 -16.137 2.297 -7.515 245 HG2 GLU 29 HG2 GLU 29 -17.491 1.057 -5.871 246 HG3 GLU 29 HG1 GLU 29 -18.294 2.565 -5.432 247 H CYS 30 HN CYS 30 -15.269 5.424 -6.191 248 HA CYS 30 HA CYS 30 -15.372 6.554 -3.595 249 HB2 CYS 30 HB2 CYS 30 -14.244 7.710 -5.413 250 HB3 CYS 30 HB1 CYS 30 -15.751 7.834 -6.310 251 H VAL 31 HN VAL 31 -16.993 7.403 -2.450 252 HA VAL 31 HA VAL 31 -19.639 6.548 -2.955 253 HB VAL 31 HB VAL 31 -18.776 6.864 -0.684 254 HG11 VAL 31 HG11 VAL 31 -18.592 9.153 0.250 255 HG12 VAL 31 HG12 VAL 31 -18.763 9.791 -1.386 256 HG13 VAL 31 HG13 VAL 31 -17.376 8.784 -0.973 257 HG21 VAL 31 HG21 VAL 31 -21.176 8.516 -1.430 258 HG22 VAL 31 HG22 VAL 31 -20.715 8.191 0.241 259 HG23 VAL 31 HG23 VAL 31 -21.137 6.856 -0.832 260 H TYR 32 HN TYR 32 -17.918 9.462 -3.779 261 HA TYR 32 HA TYR 32 -20.455 10.737 -4.547 262 HB2 TYR 32 HB2 TYR 32 -17.719 11.925 -4.071 263 HB3 TYR 32 HB1 TYR 32 -19.092 12.835 -4.695 264 HD1 TYR 32 HD2 TYR 32 -21.321 12.418 -3.195 265 HD2 TYR 32 HD1 TYR 32 -17.305 12.178 -1.812 266 HE1 TYR 32 HE2 TYR 32 -22.093 12.840 -0.900 267 HE2 TYR 32 HE1 TYR 32 -18.065 12.596 0.490 268 HH TYR 32 HH TYR 32 -19.813 13.261 1.764 269 H CYS 33 HN CYS 33 -17.124 10.355 -5.779 270 HA CYS 33 HA CYS 33 -17.864 11.180 -8.412 271 HB2 CYS 33 HB2 CYS 33 -15.364 9.653 -7.731 272 HB3 CYS 33 HB1 CYS 33 -15.602 10.869 -8.981 273 H LYS 34 HN LYS 34 -17.878 8.174 -6.743 274 HA LYS 34 HA LYS 34 -18.465 6.064 -7.316 275 HB2 LYS 34 HB2 LYS 34 -19.813 7.718 -9.342 276 HB3 LYS 34 HB1 LYS 34 -19.552 6.049 -9.825 277 HG2 LYS 34 HG2 LYS 34 -21.672 6.080 -8.849 278 HG3 LYS 34 HG1 LYS 34 -20.613 5.400 -7.613 279 HD2 LYS 34 HD2 LYS 34 -20.475 7.611 -6.543 280 HD3 LYS 34 HD1 LYS 34 -21.572 8.260 -7.764 281 HE2 LYS 34 HE2 LYS 34 -23.255 6.566 -7.034 282 HE3 LYS 34 HE1 LYS 34 -22.167 6.130 -5.716 283 HZ1 LYS 34 HZ1 LYS 34 -22.354 8.305 -4.806 284 HZ2 LYS 34 HZ2 LYS 34 -23.927 7.746 -5.113 285 HZ3 LYS 34 HZ3 LYS 34 -23.213 8.866 -6.155 286 H GLN 35 HN GLN 35 -15.869 7.227 -8.100 287 HA GLN 35 HA GLN 35 -15.163 5.754 -10.508 288 HB2 GLN 35 HB2 GLN 35 -13.477 7.466 -8.668 289 HB3 GLN 35 HB1 GLN 35 -12.929 6.765 -10.183 290 HG2 GLN 35 HG2 GLN 35 -15.157 8.771 -9.917 291 HG3 GLN 35 HG1 GLN 35 -13.495 9.151 -10.362 292 HE21 GLN 35 HE21 GLN 35 -16.515 7.858 -11.418 293 HE22 GLN 35 HE22 GLN 35 -16.093 7.685 -13.088 294 H GLN 36 HN GLN 36 -14.090 3.834 -10.499 295 HA GLN 36 HA GLN 36 -13.965 2.337 -8.093 296 HB2 GLN 36 HB2 GLN 36 -12.914 1.815 -10.872 297 HB3 GLN 36 HB1 GLN 36 -12.734 0.661 -9.558 298 HG2 GLN 36 HG2 GLN 36 -15.139 0.494 -9.338 299 HG3 GLN 36 HG1 GLN 36 -15.358 1.712 -10.595 300 HE21 GLN 36 HE21 GLN 36 -14.484 -1.570 -9.906 301 HE22 GLN 36 HE22 GLN 36 -14.547 -2.144 -11.533 302 H LEU 37 HN LEU 37 -12.460 2.386 -6.591 303 HA LEU 37 HA LEU 37 -9.947 3.741 -7.091 304 HB2 LEU 37 HB2 LEU 37 -11.465 2.857 -4.705 305 HB3 LEU 37 HB1 LEU 37 -9.720 2.850 -4.553 306 HG LEU 37 HG LEU 37 -9.784 5.279 -5.328 307 HD11 LEU 37 HD11 LEU 37 -12.016 5.328 -6.256 308 HD12 LEU 37 HD12 LEU 37 -11.906 6.457 -4.906 309 HD13 LEU 37 HD13 LEU 37 -12.707 4.900 -4.691 310 HD21 LEU 37 HD21 LEU 37 -9.296 4.742 -3.055 311 HD22 LEU 37 HD22 LEU 37 -10.995 4.422 -2.709 312 HD23 LEU 37 HD23 LEU 37 -10.463 6.065 -3.059 313 H LEU 38 HN LEU 38 -8.172 2.717 -7.694 314 HA LEU 38 HA LEU 38 -8.039 -0.081 -8.003 315 HB2 LEU 38 HB2 LEU 38 -5.707 1.830 -7.867 316 HB3 LEU 38 HB1 LEU 38 -5.735 0.253 -8.632 317 HG LEU 38 HG LEU 38 -7.306 2.665 -9.552 318 HD11 LEU 38 HD11 LEU 38 -5.733 2.550 -11.496 319 HD12 LEU 38 HD12 LEU 38 -4.762 1.413 -10.560 320 HD13 LEU 38 HD13 LEU 38 -5.002 3.059 -9.975 321 HD21 LEU 38 HD21 LEU 38 -7.812 1.330 -11.525 322 HD22 LEU 38 HD22 LEU 38 -8.418 0.542 -10.067 323 HD23 LEU 38 HD23 LEU 38 -6.942 -0.041 -10.838 324 H ARG 39 HN ARG 39 -6.866 -1.632 -6.822 325 HA ARG 39 HA ARG 39 -7.036 -1.501 -4.064 326 HB2 ARG 39 HB2 ARG 39 -5.562 -3.491 -4.013 327 HB3 ARG 39 HB1 ARG 39 -6.869 -3.628 -5.178 328 HG2 ARG 39 HG2 ARG 39 -5.336 -3.101 -6.988 329 HG3 ARG 39 HG1 ARG 39 -4.019 -2.918 -5.827 330 HD2 ARG 39 HD2 ARG 39 -4.178 -5.233 -5.204 331 HD3 ARG 39 HD1 ARG 39 -5.614 -5.447 -6.203 332 HE ARG 39 HE ARG 39 -3.264 -4.563 -7.637 333 HH11 ARG 39 HH11 ARG 39 -5.108 -7.322 -6.502 334 HH12 ARG 39 HH12 ARG 39 -4.472 -8.403 -7.703 335 HH21 ARG 39 HH21 ARG 39 -2.422 -5.984 -9.218 336 HH22 ARG 39 HH22 ARG 39 -2.943 -7.637 -9.249 337 H ARG 40 HN ARG 40 -4.453 -0.451 -6.148 338 HA ARG 40 HA ARG 40 -2.370 -0.265 -4.287 339 HB2 ARG 40 HB2 ARG 40 -2.165 -0.017 -6.771 340 HB3 ARG 40 HB1 ARG 40 -2.884 1.581 -6.625 341 HG2 ARG 40 HG2 ARG 40 -1.002 2.180 -5.081 342 HG3 ARG 40 HG1 ARG 40 -0.248 0.647 -5.523 343 HD2 ARG 40 HD2 ARG 40 0.703 2.303 -6.921 344 HD3 ARG 40 HD1 ARG 40 -0.420 1.380 -7.919 345 HE ARG 40 HE ARG 40 -1.821 3.572 -6.896 346 HH11 ARG 40 HH11 ARG 40 0.858 2.929 -9.067 347 HH12 ARG 40 HH12 ARG 40 0.611 4.370 -10.001 348 HH21 ARG 40 HH21 ARG 40 -2.130 5.470 -8.101 349 HH22 ARG 40 HH22 ARG 40 -1.086 5.823 -9.447 350 H GLU 41 HN GLU 41 -4.964 1.978 -5.126 351 HA GLU 41 HA GLU 41 -4.035 4.096 -3.448 352 HB2 GLU 41 HB2 GLU 41 -6.889 3.766 -4.336 353 HB3 GLU 41 HB1 GLU 41 -5.993 5.250 -4.062 354 HG2 GLU 41 HG2 GLU 41 -5.515 3.318 -6.316 355 HG3 GLU 41 HG1 GLU 41 -6.421 4.825 -6.437 356 H VAL 42 HN VAL 42 -6.171 1.366 -3.113 357 HA VAL 42 HA VAL 42 -7.412 2.087 -0.693 358 HB VAL 42 HB VAL 42 -6.824 -0.725 -1.637 359 HG11 VAL 42 HG11 VAL 42 -8.864 -1.285 -0.372 360 HG12 VAL 42 HG12 VAL 42 -8.949 0.382 0.197 361 HG13 VAL 42 HG13 VAL 42 -7.588 -0.640 0.660 362 HG21 VAL 42 HG21 VAL 42 -9.036 -0.650 -2.704 363 HG22 VAL 42 HG22 VAL 42 -7.923 0.518 -3.413 364 HG23 VAL 42 HG23 VAL 42 -9.168 1.059 -2.288 365 H TYR 43 HN TYR 43 -4.325 0.595 -1.422 366 HA TYR 43 HA TYR 43 -3.684 -0.334 1.154 367 HB2 TYR 43 HB2 TYR 43 -1.798 0.695 -0.978 368 HB3 TYR 43 HB1 TYR 43 -1.336 -0.271 0.417 369 HD1 TYR 43 HD1 TYR 43 -3.826 -2.148 0.205 370 HD2 TYR 43 HD2 TYR 43 -0.909 -0.816 -2.590 371 HE1 TYR 43 HE1 TYR 43 -4.159 -4.197 -1.113 372 HE2 TYR 43 HE2 TYR 43 -1.235 -2.856 -3.917 373 HH TYR 43 HH TYR 43 -2.046 -5.210 -3.500 374 H ASP 44 HN ASP 44 -3.521 2.840 -0.307 375 HA ASP 44 HA ASP 44 -1.954 4.040 1.781 376 HB2 ASP 44 HB2 ASP 44 -2.912 4.816 -0.773 377 HB3 ASP 44 HB1 ASP 44 -3.589 5.956 0.385 378 H PHE 45 HN PHE 45 -5.308 3.488 1.107 379 HA PHE 45 HA PHE 45 -6.468 5.249 2.990 380 HB2 PHE 45 HB2 PHE 45 -7.672 4.160 1.086 381 HB3 PHE 45 HB1 PHE 45 -7.549 2.623 1.927 382 HD1 PHE 45 HD2 PHE 45 -8.867 2.213 3.963 383 HD2 PHE 45 HD1 PHE 45 -9.294 5.795 1.706 384 HE1 PHE 45 HE2 PHE 45 -11.010 2.661 5.088 385 HE2 PHE 45 HE1 PHE 45 -11.438 6.250 2.823 386 HZ PHE 45 HZ PHE 45 -12.296 4.683 4.521 387 H ALA 46 HN ALA 46 -5.336 1.919 3.162 388 HA ALA 46 HA ALA 46 -6.250 1.546 5.872 389 HB1 ALA 46 HB1 ALA 46 -6.174 -0.316 4.255 390 HB2 ALA 46 HB2 ALA 46 -5.248 -0.646 5.719 391 HB3 ALA 46 HB3 ALA 46 -4.414 -0.196 4.232 392 H PHE 47 HN PHE 47 -3.473 2.878 4.401 393 HA PHE 47 HA PHE 47 -1.629 2.289 6.525 394 HB2 PHE 47 HB2 PHE 47 -1.216 2.988 3.983 395 HB3 PHE 47 HB1 PHE 47 -1.192 4.600 4.690 396 HD1 PHE 47 HD2 PHE 47 0.520 5.171 6.393 397 HD2 PHE 47 HD1 PHE 47 0.592 1.482 4.276 398 HE1 PHE 47 HE2 PHE 47 2.871 4.850 7.049 399 HE2 PHE 47 HE1 PHE 47 2.946 1.149 4.926 400 HZ PHE 47 HZ PHE 47 4.084 2.834 6.313 401 H ARG 48 HN ARG 48 -4.061 4.620 5.904 402 HA ARG 48 HA ARG 48 -3.169 6.223 8.209 403 HB2 ARG 48 HB2 ARG 48 -5.086 7.249 6.137 404 HB3 ARG 48 HB1 ARG 48 -4.072 8.158 7.248 405 HG2 ARG 48 HG2 ARG 48 -2.102 7.589 5.976 406 HG3 ARG 48 HG1 ARG 48 -3.064 6.572 4.897 407 HD2 ARG 48 HD2 ARG 48 -4.441 8.770 4.556 408 HD3 ARG 48 HD1 ARG 48 -2.962 9.546 5.126 409 HE ARG 48 HE ARG 48 -2.439 7.651 3.062 410 HH11 ARG 48 HH11 ARG 48 -3.586 10.916 3.628 411 HH12 ARG 48 HH12 ARG 48 -3.093 11.487 2.063 412 HH21 ARG 48 HH21 ARG 48 -1.829 8.380 1.014 413 HH22 ARG 48 HH22 ARG 48 -2.114 10.040 0.562 414 H ASP 49 HN ASP 49 -5.129 7.359 9.270 415 HA ASP 49 HA ASP 49 -7.116 5.282 9.785 416 HB2 ASP 49 HB2 ASP 49 -5.918 6.397 11.687 417 HB3 ASP 49 HB1 ASP 49 -6.720 7.903 11.248 418 H LEU 50 HN LEU 50 -8.528 5.397 8.098 419 HA LEU 50 HA LEU 50 -9.972 7.943 7.789 420 HB2 LEU 50 HB2 LEU 50 -9.144 5.917 5.733 421 HB3 LEU 50 HB1 LEU 50 -10.448 7.051 5.431 422 HG LEU 50 HG LEU 50 -7.922 8.256 6.370 423 HD11 LEU 50 HD11 LEU 50 -8.142 7.011 3.632 424 HD12 LEU 50 HD12 LEU 50 -7.038 6.518 4.915 425 HD13 LEU 50 HD13 LEU 50 -6.867 8.105 4.166 426 HD21 LEU 50 HD21 LEU 50 -8.503 9.872 4.601 427 HD22 LEU 50 HD22 LEU 50 -9.821 9.619 5.746 428 HD23 LEU 50 HD23 LEU 50 -9.876 8.861 4.155 429 H CYS 51 HN CYS 51 -12.203 7.772 7.255 430 HA CYS 51 HA CYS 51 -13.451 5.458 8.498 431 HB2 CYS 51 HB2 CYS 51 -15.511 7.102 8.119 432 HB3 CYS 51 HB1 CYS 51 -14.403 7.306 9.472 433 HG CYS 51 HG CYS 51 -15.252 9.543 7.400 434 H ILE 52 HN ILE 52 -15.112 4.281 7.520 435 HA ILE 52 HA ILE 52 -14.996 4.314 4.599 436 HB ILE 52 HB ILE 52 -16.164 2.248 6.474 437 HG12 ILE 52 HG12 ILE 52 -13.626 2.339 4.834 438 HG13 ILE 52 HG11 ILE 52 -13.759 2.239 6.586 439 HG21 ILE 52 HG21 ILE 52 -15.879 2.190 3.467 440 HG22 ILE 52 HG22 ILE 52 -17.390 2.291 4.370 441 HG23 ILE 52 HG23 ILE 52 -16.399 0.837 4.473 442 HD11 ILE 52 HD11 ILE 52 -14.783 0.002 6.326 443 HD12 ILE 52 HD12 ILE 52 -13.130 0.107 5.716 444 HD13 ILE 52 HD13 ILE 52 -14.487 0.112 4.589 445 H VAL 53 HN VAL 53 -16.554 5.173 3.443 446 HA VAL 53 HA VAL 53 -18.996 6.063 4.751 447 HB VAL 53 HB VAL 53 -19.384 7.104 2.399 448 HG11 VAL 53 HG11 VAL 53 -18.013 9.045 3.001 449 HG12 VAL 53 HG12 VAL 53 -17.163 8.067 4.199 450 HG13 VAL 53 HG13 VAL 53 -18.885 8.399 4.392 451 HG21 VAL 53 HG21 VAL 53 -16.411 6.595 2.276 452 HG22 VAL 53 HG22 VAL 53 -17.355 7.556 1.138 453 HG23 VAL 53 HG23 VAL 53 -17.626 5.818 1.261 454 H TYR 54 HN TYR 54 -20.998 5.327 4.301 455 HA TYR 54 HA TYR 54 -21.179 3.088 2.400 456 HB2 TYR 54 HB2 TYR 54 -22.134 3.411 5.166 457 HB3 TYR 54 HB1 TYR 54 -23.315 2.726 4.056 458 HD1 TYR 54 HD2 TYR 54 -19.790 2.301 5.186 459 HD2 TYR 54 HD1 TYR 54 -23.263 0.456 3.569 460 HE1 TYR 54 HE2 TYR 54 -18.699 0.107 5.374 461 HE2 TYR 54 HE1 TYR 54 -22.184 -1.747 3.751 462 HH TYR 54 HH TYR 54 -19.266 -2.234 5.495 463 H ARG 55 HN ARG 55 -22.460 3.373 0.728 464 HA ARG 55 HA ARG 55 -24.361 5.606 0.771 465 HB2 ARG 55 HB2 ARG 55 -22.502 4.805 -1.136 466 HB3 ARG 55 HB1 ARG 55 -24.032 4.233 -1.783 467 HG2 ARG 55 HG2 ARG 55 -23.491 7.066 -0.914 468 HG3 ARG 55 HG1 ARG 55 -23.401 6.486 -2.578 469 HD2 ARG 55 HD2 ARG 55 -25.860 6.391 -0.831 470 HD3 ARG 55 HD1 ARG 55 -25.537 7.606 -2.066 471 HE ARG 55 HE ARG 55 -25.344 5.165 -3.333 472 HH11 ARG 55 HH11 ARG 55 -27.800 6.942 -1.593 473 HH12 ARG 55 HH12 ARG 55 -29.119 6.237 -2.473 474 HH21 ARG 55 HH21 ARG 55 -27.078 4.236 -4.500 475 HH22 ARG 55 HH22 ARG 55 -28.704 4.717 -4.141 476 H ASP 56 HN ASP 56 -26.263 4.987 1.496 477 HA ASP 56 HA ASP 56 -28.275 3.971 1.656 478 HB2 ASP 56 HB2 ASP 56 -28.317 3.950 -0.802 479 HB3 ASP 56 HB1 ASP 56 -27.447 2.418 -0.810 480 H GLY 57 HN GLY 57 -26.376 1.264 0.377 481 HA2 GLY 57 HA2 GLY 57 -26.178 0.047 2.995 482 HA3 GLY 57 HA1 GLY 57 -27.260 -0.778 1.881 483 H ASN 58 HN ASN 58 -24.717 0.814 0.330 484 HA ASN 58 HA ASN 58 -23.258 -1.727 0.055 485 HB2 ASN 58 HB2 ASN 58 -24.030 0.371 -1.916 486 HB3 ASN 58 HB1 ASN 58 -22.470 -0.413 -2.138 487 HD21 ASN 58 HD21 ASN 58 -24.932 -0.500 -3.741 488 HD22 ASN 58 HD22 ASN 58 -25.338 -2.173 -3.883 489 HA PRO 59 HA PRO 59 -19.806 0.368 1.884 490 HB2 PRO 59 HB2 PRO 59 -17.832 -1.294 0.967 491 HB3 PRO 59 HB1 PRO 59 -18.907 -1.709 2.315 492 HG2 PRO 59 HG2 PRO 59 -19.042 -2.562 -0.528 493 HG3 PRO 59 HG1 PRO 59 -19.341 -3.498 0.951 494 HD2 PRO 59 HD2 PRO 59 -21.347 -2.524 -0.575 495 HD3 PRO 59 HD1 PRO 59 -21.482 -2.700 1.187 496 H TYR 60 HN TYR 60 -18.722 2.118 1.219 497 HA TYR 60 HA TYR 60 -17.731 2.188 -1.542 498 HB2 TYR 60 HB2 TYR 60 -19.560 4.075 -0.163 499 HB3 TYR 60 HB1 TYR 60 -18.305 4.785 -1.174 500 HD1 TYR 60 HD2 TYR 60 -21.156 2.401 -1.214 501 HD2 TYR 60 HD1 TYR 60 -18.515 4.817 -3.507 502 HE1 TYR 60 HE2 TYR 60 -22.517 1.977 -3.220 503 HE2 TYR 60 HE1 TYR 60 -19.865 4.403 -5.513 504 HH TYR 60 HH TYR 60 -21.426 2.690 -6.343 505 H ALA 61 HN ALA 61 -16.126 3.971 -1.851 506 HA ALA 61 HA ALA 61 -14.478 4.293 0.571 507 HB1 ALA 61 HB1 ALA 61 -13.586 2.650 -1.092 508 HB2 ALA 61 HB2 ALA 61 -12.504 3.994 -0.728 509 HB3 ALA 61 HB3 ALA 61 -13.425 3.984 -2.232 510 H VAL 62 HN VAL 62 -12.630 5.987 -0.154 511 HA VAL 62 HA VAL 62 -14.024 8.338 -1.242 512 HB VAL 62 HB VAL 62 -11.914 8.461 0.914 513 HG11 VAL 62 HG11 VAL 62 -12.822 10.711 1.267 514 HG12 VAL 62 HG12 VAL 62 -13.935 10.461 -0.076 515 HG13 VAL 62 HG13 VAL 62 -12.195 10.488 -0.364 516 HG21 VAL 62 HG21 VAL 62 -13.818 7.223 1.811 517 HG22 VAL 62 HG22 VAL 62 -14.908 8.511 1.300 518 HG23 VAL 62 HG23 VAL 62 -13.698 8.821 2.544 519 H CYS 63 HN CYS 63 -13.042 9.114 -3.012 520 HA CYS 63 HA CYS 63 -10.522 8.083 -3.878 521 HB2 CYS 63 HB2 CYS 63 -10.821 9.629 -5.790 522 HB3 CYS 63 HB1 CYS 63 -12.244 8.629 -5.506 523 H ASP 64 HN ASP 64 -8.854 9.737 -4.755 524 HA ASP 64 HA ASP 64 -7.727 11.090 -2.550 525 HB2 ASP 64 HB2 ASP 64 -6.357 10.214 -4.379 526 HB3 ASP 64 HB1 ASP 64 -7.101 11.347 -5.501 527 H LYS 65 HN LYS 65 -10.009 12.033 -4.936 528 HA LYS 65 HA LYS 65 -9.601 14.866 -4.741 529 HB2 LYS 65 HB2 LYS 65 -12.108 13.488 -5.695 530 HB3 LYS 65 HB1 LYS 65 -11.506 15.075 -6.148 531 HG2 LYS 65 HG2 LYS 65 -9.969 14.221 -7.624 532 HG3 LYS 65 HG1 LYS 65 -9.862 12.676 -6.779 533 HD2 LYS 65 HD2 LYS 65 -11.017 12.470 -8.943 534 HD3 LYS 65 HD1 LYS 65 -12.063 12.047 -7.588 535 HE2 LYS 65 HE2 LYS 65 -12.803 14.533 -7.714 536 HE3 LYS 65 HE1 LYS 65 -12.117 14.478 -9.333 537 HZ1 LYS 65 HZ1 LYS 65 -14.453 13.992 -9.418 538 HZ2 LYS 65 HZ2 LYS 65 -14.289 12.746 -8.282 539 HZ3 LYS 65 HZ3 LYS 65 -13.591 12.594 -9.818 540 H CYS 66 HN CYS 66 -12.194 12.675 -3.678 541 HA CYS 66 HA CYS 66 -13.481 14.652 -2.088 542 HB2 CYS 66 HB2 CYS 66 -13.806 11.647 -2.087 543 HB3 CYS 66 HB1 CYS 66 -14.914 12.801 -1.350 544 H LEU 67 HN LEU 67 -10.855 12.525 -1.541 545 HA LEU 67 HA LEU 67 -11.000 12.043 1.187 546 HB2 LEU 67 HB2 LEU 67 -9.368 11.105 -0.488 547 HB3 LEU 67 HB1 LEU 67 -8.465 12.598 -0.337 548 HG LEU 67 HG LEU 67 -8.833 11.671 2.289 549 HD11 LEU 67 HD11 LEU 67 -7.957 9.458 0.435 550 HD12 LEU 67 HD12 LEU 67 -9.451 9.494 1.375 551 HD13 LEU 67 HD13 LEU 67 -7.893 9.423 2.197 552 HD21 LEU 67 HD21 LEU 67 -6.903 12.892 1.515 553 HD22 LEU 67 HD22 LEU 67 -6.455 11.569 0.437 554 HD23 LEU 67 HD23 LEU 67 -6.388 11.346 2.186 555 H LYS 68 HN LYS 68 -9.536 14.800 -0.503 556 HA LYS 68 HA LYS 68 -8.895 16.090 2.003 557 HB2 LYS 68 HB2 LYS 68 -8.768 17.431 -0.670 558 HB3 LYS 68 HB1 LYS 68 -7.770 17.709 0.748 559 HG2 LYS 68 HG2 LYS 68 -6.754 15.470 0.402 560 HG3 LYS 68 HG1 LYS 68 -7.674 15.331 -1.096 561 HD2 LYS 68 HD2 LYS 68 -6.603 17.523 -1.783 562 HD3 LYS 68 HD1 LYS 68 -5.494 17.291 -0.431 563 HE2 LYS 68 HE2 LYS 68 -4.415 16.414 -2.352 564 HE3 LYS 68 HE1 LYS 68 -4.967 15.033 -1.402 565 HZ1 LYS 68 HZ1 LYS 68 -6.948 14.958 -2.873 566 HZ2 LYS 68 HZ2 LYS 68 -5.500 14.630 -3.683 567 HZ3 LYS 68 HZ3 LYS 68 -6.236 16.147 -3.841 568 H PHE 69 HN PHE 69 -11.437 16.062 -0.302 569 HA PHE 69 HA PHE 69 -12.544 18.608 0.336 570 HB2 PHE 69 HB2 PHE 69 -12.927 16.802 -1.689 571 HB3 PHE 69 HB1 PHE 69 -14.394 16.606 -0.736 572 HD1 PHE 69 HD2 PHE 69 -15.712 18.705 -0.143 573 HD2 PHE 69 HD1 PHE 69 -12.730 18.575 -3.180 574 HE1 PHE 69 HE2 PHE 69 -16.653 20.735 -1.153 575 HE2 PHE 69 HE1 PHE 69 -13.670 20.608 -4.195 576 HZ PHE 69 HZ PHE 69 -15.631 21.691 -3.177 577 H TYR 70 HN TYR 70 -13.476 15.272 1.216 578 HA TYR 70 HA TYR 70 -15.110 16.427 3.383 579 HB2 TYR 70 HB2 TYR 70 -15.554 13.957 1.706 580 HB3 TYR 70 HB1 TYR 70 -16.400 14.231 3.225 581 HD1 TYR 70 HD2 TYR 70 -18.018 16.065 3.429 582 HD2 TYR 70 HD1 TYR 70 -16.118 15.170 -0.264 583 HE1 TYR 70 HE2 TYR 70 -19.715 17.394 2.244 584 HE2 TYR 70 HE1 TYR 70 -17.804 16.496 -1.467 585 HH TYR 70 HH TYR 70 -20.194 17.246 -1.058 586 H MET 1 HT1 MET 1 23.712 3.805 -1.503 587 HA MET 1 HA MET 1 25.468 2.288 -1.530 588 HB2 MET 1 HB2 MET 1 27.171 3.916 -2.324 589 HB3 MET 1 HB1 MET 1 27.262 4.582 -0.699 590 HG2 MET 1 HG2 MET 1 29.104 3.044 -1.200 591 HG3 MET 1 HG1 MET 1 28.118 2.498 0.156 592 HE1 MET 1 HE1 MET 1 29.062 -0.936 -1.293 593 HE2 MET 1 HE2 MET 1 29.145 0.187 0.063 594 HE3 MET 1 HE3 MET 1 30.141 0.456 -1.366 595 H PHE 2 HN PHE 2 25.705 0.996 0.253 596 HA PHE 2 HA PHE 2 25.598 2.242 2.890 597 HB2 PHE 2 HB2 PHE 2 23.315 1.153 1.685 598 HB3 PHE 2 HB1 PHE 2 23.846 -0.058 2.847 599 HD1 PHE 2 HD1 PHE 2 23.987 3.663 2.993 600 HD2 PHE 2 HD2 PHE 2 22.383 0.083 4.639 601 HE1 PHE 2 HE1 PHE 2 22.955 4.964 4.805 602 HE2 PHE 2 HE2 PHE 2 21.349 1.378 6.456 603 HZ PHE 2 HZ PHE 2 21.632 3.825 6.540 604 H GLN 3 HN GLN 3 27.320 1.482 3.860 605 HA GLN 3 HA GLN 3 27.798 -1.404 3.877 606 HB2 GLN 3 HB2 GLN 3 30.112 -1.209 3.393 607 HB3 GLN 3 HB1 GLN 3 29.312 -0.212 2.190 608 HG2 GLN 3 HG2 GLN 3 30.505 0.886 4.722 609 HG3 GLN 3 HG1 GLN 3 31.389 0.760 3.205 610 HE21 GLN 3 HE21 GLN 3 30.432 3.042 4.921 611 HE22 GLN 3 HE22 GLN 3 29.634 4.102 3.809 612 H ASP 4 HN ASP 4 30.061 -1.380 5.511 613 HA ASP 4 HA ASP 4 28.960 -0.996 8.056 614 HB2 ASP 4 HB2 ASP 4 31.131 -1.523 8.932 615 HB3 ASP 4 HB1 ASP 4 30.911 -2.491 7.481 616 HA PRO 5 HA PRO 5 29.753 -0.574 10.086 617 HB2 PRO 5 HB2 PRO 5 28.970 1.262 12.082 618 HB3 PRO 5 HB1 PRO 5 30.579 0.557 11.861 619 HG2 PRO 5 HG2 PRO 5 29.902 3.247 11.557 620 HG3 PRO 5 HG1 PRO 5 31.405 2.468 11.038 621 HD2 PRO 5 HD2 PRO 5 29.008 3.184 9.437 622 HD3 PRO 5 HD1 PRO 5 30.720 3.145 8.961 623 H GLN 6 HN GLN 6 27.594 0.681 8.234 624 HA GLN 6 HA GLN 6 25.238 0.799 9.857 625 HB2 GLN 6 HB2 GLN 6 25.540 0.410 6.870 626 HB3 GLN 6 HB1 GLN 6 24.021 0.718 7.695 627 HG2 GLN 6 HG2 GLN 6 26.377 2.592 7.683 628 HG3 GLN 6 HG1 GLN 6 24.983 2.714 6.612 629 HE21 GLN 6 HE21 GLN 6 23.109 1.869 8.698 630 HE22 GLN 6 HE22 GLN 6 22.939 3.232 9.750 631 H GLU 7 HN GLU 7 23.704 -0.786 10.219 632 HA GLU 7 HA GLU 7 24.678 -3.473 10.234 633 HB2 GLU 7 HB2 GLU 7 23.209 -2.547 11.999 634 HB3 GLU 7 HB1 GLU 7 21.900 -2.441 10.831 635 HG2 GLU 7 HG2 GLU 7 21.343 -4.553 11.173 636 HG3 GLU 7 HG1 GLU 7 22.992 -5.094 10.862 637 H ARG 8 HN ARG 8 22.403 -1.648 8.312 638 HA ARG 8 HA ARG 8 21.363 -2.048 6.337 639 HB2 ARG 8 HB2 ARG 8 23.412 -4.253 6.050 640 HB3 ARG 8 HB1 ARG 8 22.384 -3.643 4.759 641 HG2 ARG 8 HG2 ARG 8 23.441 -1.459 4.943 642 HG3 ARG 8 HG1 ARG 8 24.457 -2.053 6.257 643 HD2 ARG 8 HD2 ARG 8 24.405 -3.241 3.492 644 HD3 ARG 8 HD1 ARG 8 25.553 -2.008 4.012 645 HE ARG 8 HE ARG 8 25.483 -4.348 5.695 646 HH11 ARG 8 HH11 ARG 8 26.885 -2.860 2.856 647 HH12 ARG 8 HH12 ARG 8 28.323 -3.832 2.900 648 HH21 ARG 8 HH21 ARG 8 27.371 -5.634 5.763 649 HH22 ARG 8 HH22 ARG 8 28.603 -5.407 4.563 650 HA PRO 9 HA PRO 9 18.983 -5.535 8.331 651 HB2 PRO 9 HB2 PRO 9 16.612 -4.170 8.392 652 HB3 PRO 9 HB1 PRO 9 17.806 -4.109 9.703 653 HG2 PRO 9 HG2 PRO 9 17.299 -2.151 7.526 654 HG3 PRO 9 HG1 PRO 9 17.661 -1.868 9.239 655 HD2 PRO 9 HD2 PRO 9 19.522 -1.609 7.306 656 HD3 PRO 9 HD1 PRO 9 19.922 -2.145 8.950 657 H ARG 10 HN ARG 10 16.944 -6.568 7.461 658 HA ARG 10 HA ARG 10 16.985 -6.321 4.542 659 HB2 ARG 10 HB2 ARG 10 17.029 -8.554 6.274 660 HB3 ARG 10 HB1 ARG 10 15.493 -8.596 5.417 661 HG2 ARG 10 HG2 ARG 10 17.071 -9.849 4.156 662 HG3 ARG 10 HG1 ARG 10 16.752 -8.351 3.283 663 HD2 ARG 10 HD2 ARG 10 19.049 -8.477 3.158 664 HD3 ARG 10 HD1 ARG 10 18.829 -7.475 4.592 665 HE ARG 10 HE ARG 10 19.185 -10.375 4.881 666 HH11 ARG 10 HH11 ARG 10 20.349 -7.113 5.446 667 HH12 ARG 10 HH12 ARG 10 21.582 -7.617 6.553 668 HH21 ARG 10 HH21 ARG 10 20.810 -11.023 6.345 669 HH22 ARG 10 HH22 ARG 10 21.843 -9.830 7.066 670 H LYS 11 HN LYS 11 15.222 -5.097 6.954 671 HA LYS 11 HA LYS 11 12.714 -5.259 5.419 672 HB2 LYS 11 HB2 LYS 11 13.099 -4.873 8.393 673 HB3 LYS 11 HB1 LYS 11 11.560 -4.674 7.567 674 HG2 LYS 11 HG2 LYS 11 11.780 -7.050 6.793 675 HG3 LYS 11 HG1 LYS 11 13.167 -7.195 7.873 676 HD2 LYS 11 HD2 LYS 11 11.591 -6.340 9.700 677 HD3 LYS 11 HD1 LYS 11 10.287 -6.709 8.569 678 HE2 LYS 11 HE2 LYS 11 12.357 -8.660 9.568 679 HE3 LYS 11 HE1 LYS 11 10.700 -8.539 10.151 680 HZ1 LYS 11 HZ1 LYS 11 9.950 -9.071 7.885 681 HZ2 LYS 11 HZ2 LYS 11 10.867 -10.311 8.573 682 HZ3 LYS 11 HZ3 LYS 11 11.559 -9.297 7.415 683 H LEU 12 HN LEU 12 11.870 -3.433 4.680 684 HA LEU 12 HA LEU 12 13.331 -1.118 4.406 685 HB2 LEU 12 HB2 LEU 12 11.421 -1.796 3.003 686 HB3 LEU 12 HB1 LEU 12 10.333 -1.351 4.303 687 HG LEU 12 HG LEU 12 11.120 0.994 4.124 688 HD11 LEU 12 HD11 LEU 12 13.329 0.666 3.236 689 HD12 LEU 12 HD12 LEU 12 12.393 1.627 2.091 690 HD13 LEU 12 HD13 LEU 12 12.678 -0.086 1.781 691 HD21 LEU 12 HD21 LEU 12 9.949 1.499 2.067 692 HD22 LEU 12 HD22 LEU 12 9.115 0.216 2.945 693 HD23 LEU 12 HD23 LEU 12 10.107 -0.175 1.539 694 HA PRO 13 HA PRO 13 10.641 1.003 7.938 695 HB2 PRO 13 HB2 PRO 13 10.086 -0.829 9.969 696 HB3 PRO 13 HB1 PRO 13 8.910 -0.210 8.795 697 HG2 PRO 13 HG2 PRO 13 10.409 -2.772 8.793 698 HG3 PRO 13 HG1 PRO 13 8.740 -2.434 8.292 699 HD2 PRO 13 HD2 PRO 13 10.675 -2.790 6.486 700 HD3 PRO 13 HD1 PRO 13 9.387 -1.592 6.232 701 H GLN 14 HN GLN 14 12.767 -1.752 8.565 702 HA GLN 14 HA GLN 14 13.992 -0.541 10.868 703 HB2 GLN 14 HB2 GLN 14 14.849 -2.928 9.217 704 HB3 GLN 14 HB1 GLN 14 15.567 -2.443 10.747 705 HG2 GLN 14 HG2 GLN 14 13.420 -2.818 11.862 706 HG3 GLN 14 HG1 GLN 14 12.724 -3.335 10.326 707 HE21 GLN 14 HE21 GLN 14 14.836 -4.168 12.936 708 HE22 GLN 14 HE22 GLN 14 15.049 -5.828 12.508 709 H LEU 15 HN LEU 15 14.653 -0.783 7.434 710 HA LEU 15 HA LEU 15 17.319 0.166 7.512 711 HB2 LEU 15 HB2 LEU 15 16.320 -0.984 5.557 712 HB3 LEU 15 HB1 LEU 15 15.305 0.416 5.272 713 HG LEU 15 HG LEU 15 17.337 1.780 4.873 714 HD11 LEU 15 HD11 LEU 15 19.482 0.642 4.544 715 HD12 LEU 15 HD12 LEU 15 18.765 -0.861 5.126 716 HD13 LEU 15 HD13 LEU 15 18.922 0.520 6.211 717 HD21 LEU 15 HD21 LEU 15 17.811 0.923 2.689 718 HD22 LEU 15 HD22 LEU 15 16.103 0.653 3.035 719 HD23 LEU 15 HD23 LEU 15 17.248 -0.684 3.145 720 H CYS 16 HN CYS 16 14.194 1.715 7.426 721 HA CYS 16 HA CYS 16 15.010 4.335 6.858 722 HB2 CYS 16 HB2 CYS 16 12.700 3.451 8.601 723 HB3 CYS 16 HB1 CYS 16 12.878 5.024 7.830 724 HG CYS 16 HG CYS 16 12.628 2.106 6.062 725 H THR 17 HN THR 17 14.860 2.510 9.872 726 HA THR 17 HA THR 17 15.409 4.645 11.632 727 HB THR 17 HB THR 17 16.437 1.949 12.322 728 HG1 THR 17 HG1 THR 17 13.644 2.445 11.977 729 HG21 THR 17 HG21 THR 17 15.248 2.389 14.401 730 HG22 THR 17 HG22 THR 17 14.516 3.832 13.699 731 HG23 THR 17 HG23 THR 17 16.257 3.770 13.972 732 H GLU 18 HN GLU 18 17.460 2.368 9.879 733 HA GLU 18 HA GLU 18 19.923 3.149 11.027 734 HB2 GLU 18 HB2 GLU 18 19.084 1.620 8.609 735 HB3 GLU 18 HB1 GLU 18 20.748 2.179 8.697 736 HG2 GLU 18 HG2 GLU 18 20.038 0.973 11.184 737 HG3 GLU 18 HG1 GLU 18 19.614 -0.115 9.863 738 H LEU 19 HN LEU 19 18.056 4.334 8.312 739 HA LEU 19 HA LEU 19 20.158 6.143 7.471 740 HB2 LEU 19 HB2 LEU 19 17.543 5.276 6.428 741 HB3 LEU 19 HB1 LEU 19 17.960 6.944 6.089 742 HG LEU 19 HG LEU 19 19.775 4.632 5.415 743 HD11 LEU 19 HD11 LEU 19 18.977 4.929 3.093 744 HD12 LEU 19 HD12 LEU 19 17.718 6.007 3.698 745 HD13 LEU 19 HD13 LEU 19 17.737 4.313 4.185 746 HD21 LEU 19 HD21 LEU 19 20.861 6.813 5.608 747 HD22 LEU 19 HD22 LEU 19 19.700 7.496 4.469 748 HD23 LEU 19 HD23 LEU 19 20.833 6.254 3.936 749 H GLN 20 HN GLN 20 17.965 6.106 9.898 750 HA GLN 20 HA GLN 20 17.128 7.613 11.356 751 HB2 GLN 20 HB2 GLN 20 19.181 9.422 10.073 752 HB3 GLN 20 HB1 GLN 20 18.299 9.796 11.548 753 HG2 GLN 20 HG2 GLN 20 19.318 7.969 12.699 754 HG3 GLN 20 HG1 GLN 20 20.058 7.382 11.211 755 HE21 GLN 20 HE21 GLN 20 22.118 7.486 12.048 756 HE22 GLN 20 HE22 GLN 20 22.933 8.979 12.341 757 H THR 21 HN THR 21 15.664 7.237 9.054 758 HA THR 21 HA THR 21 14.257 9.786 8.909 759 HB THR 21 HB THR 21 15.811 9.666 6.931 760 HG1 THR 21 HG1 THR 21 14.206 10.381 5.499 761 HG21 THR 21 HG21 THR 21 13.997 7.407 6.074 762 HG22 THR 21 HG22 THR 21 15.693 7.248 6.528 763 HG23 THR 21 HG23 THR 21 15.248 8.163 5.090 764 H THR 22 HN THR 22 12.218 9.197 7.261 765 HA THR 22 HA THR 22 11.030 6.814 8.524 766 HB THR 22 HB THR 22 8.829 7.895 8.013 767 HG1 THR 22 HG1 THR 22 10.224 10.326 7.662 768 HG21 THR 22 HG21 THR 22 9.840 8.067 10.246 769 HG22 THR 22 HG22 THR 22 8.939 9.526 9.836 770 HG23 THR 22 HG23 THR 22 10.701 9.522 9.743 771 H ILE 23 HN ILE 23 9.155 5.913 7.170 772 HA ILE 23 HA ILE 23 10.208 5.006 4.683 773 HB ILE 23 HB ILE 23 7.331 4.651 5.480 774 HG12 ILE 23 HG12 ILE 23 9.655 3.045 6.568 775 HG13 ILE 23 HG11 ILE 23 8.751 4.237 7.492 776 HG21 ILE 23 HG21 ILE 23 9.328 2.849 4.112 777 HG22 ILE 23 HG22 ILE 23 8.060 3.782 3.317 778 HG23 ILE 23 HG23 ILE 23 7.633 2.468 4.414 779 HD11 ILE 23 HD11 ILE 23 7.653 1.690 6.323 780 HD12 ILE 23 HD12 ILE 23 6.721 2.894 7.211 781 HD13 ILE 23 HD13 ILE 23 8.006 1.999 8.024 782 H HIS 24 HN HIS 24 8.659 7.816 5.528 783 HA HIS 24 HA HIS 24 7.221 8.141 3.011 784 HB2 HIS 24 HB2 HIS 24 7.456 10.336 5.031 785 HB3 HIS 24 HB1 HIS 24 6.103 9.926 3.985 786 HD1 HIS 24 HD1 HIS 24 4.661 7.759 4.782 787 HD2 HIS 24 HD2 HIS 24 7.306 9.383 7.552 788 HE1 HIS 24 HE1 HIS 24 4.029 6.785 7.031 789 H ASP 25 HN ASP 25 10.315 8.569 4.137 790 HA ASP 25 HA ASP 25 10.834 10.676 2.143 791 HB2 ASP 25 HB2 ASP 25 11.142 11.702 4.280 792 HB3 ASP 25 HB1 ASP 25 12.066 10.328 4.877 793 H ILE 26 HN ILE 26 11.795 7.622 3.505 794 HA ILE 26 HA ILE 26 14.378 7.455 2.426 795 HB ILE 26 HB ILE 26 13.541 5.901 4.146 796 HG12 ILE 26 HG12 ILE 26 14.411 4.392 1.677 797 HG13 ILE 26 HG11 ILE 26 15.502 5.383 2.640 798 HG21 ILE 26 HG21 ILE 26 11.289 5.571 3.141 799 HG22 ILE 26 HG22 ILE 26 12.084 4.077 3.635 800 HG23 ILE 26 HG23 ILE 26 12.035 4.526 1.930 801 HD11 ILE 26 HD11 ILE 26 13.981 2.981 3.626 802 HD12 ILE 26 HD12 ILE 26 15.107 3.960 4.569 803 HD13 ILE 26 HD13 ILE 26 15.690 3.022 3.194 804 H ILE 27 HN ILE 27 15.105 7.238 0.436 805 HA ILE 27 HA ILE 27 13.218 6.418 -1.670 806 HB ILE 27 HB ILE 27 15.612 8.256 -1.889 807 HG12 ILE 27 HG12 ILE 27 13.654 9.303 -0.829 808 HG13 ILE 27 HG11 ILE 27 13.979 9.998 -2.412 809 HG21 ILE 27 HG21 ILE 27 14.959 8.574 -4.219 810 HG22 ILE 27 HG22 ILE 27 13.673 7.384 -4.027 811 HG23 ILE 27 HG23 ILE 27 15.361 6.887 -3.895 812 HD11 ILE 27 HD11 ILE 27 12.191 8.553 -3.342 813 HD12 ILE 27 HD12 ILE 27 11.621 9.720 -2.151 814 HD13 ILE 27 HD13 ILE 27 11.822 8.028 -1.700 815 H LEU 28 HN LEU 28 13.620 4.433 -2.338 816 HA LEU 28 HA LEU 28 16.408 3.500 -2.370 817 HB2 LEU 28 HB2 LEU 28 14.019 2.301 -1.344 818 HB3 LEU 28 HB1 LEU 28 14.631 1.308 -2.655 819 HG LEU 28 HG LEU 28 16.837 1.221 -1.520 820 HD11 LEU 28 HD11 LEU 28 16.999 1.925 0.814 821 HD12 LEU 28 HD12 LEU 28 15.378 2.612 0.722 822 HD13 LEU 28 HD13 LEU 28 16.682 3.293 -0.251 823 HD21 LEU 28 HD21 LEU 28 14.455 0.271 0.060 824 HD22 LEU 28 HD22 LEU 28 16.114 -0.270 0.323 825 HD23 LEU 28 HD23 LEU 28 15.309 -0.604 -1.210 826 H GLU 29 HN GLU 29 16.940 1.972 -4.121 827 HA GLU 29 HA GLU 29 15.591 2.801 -6.593 828 HB2 GLU 29 HB2 GLU 29 18.405 1.790 -6.152 829 HB3 GLU 29 HB1 GLU 29 17.716 2.193 -7.720 830 HG2 GLU 29 HG2 GLU 29 17.445 4.498 -7.044 831 HG3 GLU 29 HG1 GLU 29 18.044 4.115 -5.432 832 H CYS 30 HN CYS 30 15.204 1.249 -8.223 833 HA CYS 30 HA CYS 30 14.339 -1.270 -7.241 834 HB2 CYS 30 HB2 CYS 30 13.180 -0.211 -9.097 835 HB3 CYS 30 HB1 CYS 30 14.640 -0.267 -10.078 836 H VAL 31 HN VAL 31 15.214 -3.243 -7.376 837 HA VAL 31 HA VAL 31 18.033 -3.450 -7.598 838 HB VAL 31 HB VAL 31 16.726 -4.844 -6.061 839 HG11 VAL 31 HG11 VAL 31 15.466 -6.776 -6.898 840 HG12 VAL 31 HG12 VAL 31 15.707 -6.199 -8.549 841 HG13 VAL 31 HG13 VAL 31 14.761 -5.240 -7.409 842 HG21 VAL 31 HG21 VAL 31 18.964 -5.568 -6.824 843 HG22 VAL 31 HG22 VAL 31 18.192 -6.529 -8.086 844 HG23 VAL 31 HG23 VAL 31 17.913 -6.916 -6.388 845 H TYR 32 HN TYR 32 15.454 -3.879 -9.893 846 HA TYR 32 HA TYR 32 17.386 -5.083 -11.762 847 HB2 TYR 32 HB2 TYR 32 14.369 -5.196 -11.798 848 HB3 TYR 32 HB1 TYR 32 15.410 -5.857 -13.054 849 HD1 TYR 32 HD2 TYR 32 17.430 -7.356 -11.895 850 HD2 TYR 32 HD1 TYR 32 13.491 -6.792 -10.394 851 HE1 TYR 32 HE2 TYR 32 17.614 -9.456 -10.630 852 HE2 TYR 32 HE1 TYR 32 13.666 -8.890 -9.122 853 HH TYR 32 HH TYR 32 16.601 -10.498 -8.632 854 H CYS 33 HN CYS 33 14.608 -2.825 -11.780 855 HA CYS 33 HA CYS 33 15.242 -1.740 -14.323 856 HB2 CYS 33 HB2 CYS 33 13.660 -0.293 -12.212 857 HB3 CYS 33 HB1 CYS 33 13.466 -0.232 -13.960 858 H LYS 34 HN LYS 34 16.422 -1.127 -11.157 859 HA LYS 34 HA LYS 34 17.960 0.294 -10.281 860 HB2 LYS 34 HB2 LYS 34 18.780 1.003 -13.095 861 HB3 LYS 34 HB1 LYS 34 19.764 1.038 -11.642 862 HG2 LYS 34 HG2 LYS 34 18.727 -1.419 -13.042 863 HG3 LYS 34 HG1 LYS 34 20.385 -0.824 -13.056 864 HD2 LYS 34 HD2 LYS 34 20.399 -1.117 -10.556 865 HD3 LYS 34 HD1 LYS 34 18.843 -1.934 -10.718 866 HE2 LYS 34 HE2 LYS 34 21.558 -2.826 -11.537 867 HE3 LYS 34 HE1 LYS 34 20.252 -3.735 -10.780 868 HZ1 LYS 34 HZ1 LYS 34 20.411 -4.537 -12.966 869 HZ2 LYS 34 HZ2 LYS 34 20.540 -2.989 -13.629 870 HZ3 LYS 34 HZ3 LYS 34 19.066 -3.508 -12.984 871 H GLN 35 HN GLN 35 15.305 1.307 -10.943 872 HA GLN 35 HA GLN 35 15.891 4.134 -11.505 873 HB2 GLN 35 HB2 GLN 35 13.562 4.402 -12.042 874 HB3 GLN 35 HB1 GLN 35 14.156 2.990 -12.908 875 HG2 GLN 35 HG2 GLN 35 12.939 1.525 -11.635 876 HG3 GLN 35 HG1 GLN 35 12.901 2.601 -10.239 877 HE21 GLN 35 HE21 GLN 35 11.347 4.213 -10.131 878 HE22 GLN 35 HE22 GLN 35 9.960 4.223 -11.161 879 H GLN 36 HN GLN 36 14.451 5.687 -10.273 880 HA GLN 36 HA GLN 36 14.756 5.219 -7.450 881 HB2 GLN 36 HB2 GLN 36 13.395 7.504 -8.900 882 HB3 GLN 36 HB1 GLN 36 13.855 7.487 -7.204 883 HG2 GLN 36 HG2 GLN 36 15.979 7.034 -9.221 884 HG3 GLN 36 HG1 GLN 36 15.328 8.664 -9.052 885 HE21 GLN 36 HE21 GLN 36 17.228 6.178 -7.607 886 HE22 GLN 36 HE22 GLN 36 17.783 7.094 -6.252 887 H LEU 37 HN LEU 37 13.268 4.286 -6.177 888 HA LEU 37 HA LEU 37 10.790 3.382 -7.199 889 HB2 LEU 37 HB2 LEU 37 12.325 3.068 -4.792 890 HB3 LEU 37 HB1 LEU 37 10.650 3.391 -4.382 891 HG LEU 37 HG LEU 37 10.036 1.510 -5.984 892 HD11 LEU 37 HD11 LEU 37 12.068 1.316 -7.231 893 HD12 LEU 37 HD12 LEU 37 11.831 -0.175 -6.320 894 HD13 LEU 37 HD13 LEU 37 12.999 1.021 -5.761 895 HD21 LEU 37 HD21 LEU 37 9.903 1.253 -3.585 896 HD22 LEU 37 HD22 LEU 37 11.628 0.898 -3.500 897 HD23 LEU 37 HD23 LEU 37 10.537 -0.224 -4.313 898 H LEU 38 HN LEU 38 8.823 4.226 -7.176 899 HA LEU 38 HA LEU 38 8.493 6.984 -6.445 900 HB2 LEU 38 HB2 LEU 38 6.474 4.944 -7.380 901 HB3 LEU 38 HB1 LEU 38 6.180 6.667 -7.246 902 HG LEU 38 HG LEU 38 8.297 5.502 -9.046 903 HD11 LEU 38 HD11 LEU 38 5.474 6.303 -9.734 904 HD12 LEU 38 HD12 LEU 38 6.109 4.658 -9.724 905 HD13 LEU 38 HD13 LEU 38 6.727 5.836 -10.884 906 HD21 LEU 38 HD21 LEU 38 8.189 7.689 -10.115 907 HD22 LEU 38 HD22 LEU 38 8.599 7.843 -8.408 908 HD23 LEU 38 HD23 LEU 38 6.963 8.204 -8.959 909 H ARG 39 HN ARG 39 6.596 7.694 -5.098 910 HA ARG 39 HA ARG 39 6.887 6.851 -2.472 911 HB2 ARG 39 HB2 ARG 39 5.723 8.982 -3.534 912 HB3 ARG 39 HB1 ARG 39 4.270 8.020 -3.300 913 HG2 ARG 39 HG2 ARG 39 5.012 7.734 -0.894 914 HG3 ARG 39 HG1 ARG 39 6.203 8.993 -1.218 915 HD2 ARG 39 HD2 ARG 39 4.542 10.345 -0.488 916 HD3 ARG 39 HD1 ARG 39 3.996 10.204 -2.159 917 HE ARG 39 HE ARG 39 2.692 8.181 -1.120 918 HH11 ARG 39 HH11 ARG 39 3.144 11.380 0.227 919 HH12 ARG 39 HH12 ARG 39 1.699 11.316 1.183 920 HH21 ARG 39 HH21 ARG 39 0.779 8.106 0.113 921 HH22 ARG 39 HH22 ARG 39 0.347 9.463 1.107 922 H ARG 40 HN ARG 40 4.374 5.940 -4.821 923 HA ARG 40 HA ARG 40 2.900 4.329 -3.029 924 HB2 ARG 40 HB2 ARG 40 2.975 4.680 -5.975 925 HB3 ARG 40 HB1 ARG 40 2.273 3.186 -5.370 926 HG2 ARG 40 HG2 ARG 40 1.378 5.996 -4.775 927 HG3 ARG 40 HG1 ARG 40 0.519 4.771 -5.708 928 HD2 ARG 40 HD2 ARG 40 0.893 5.003 -2.757 929 HD3 ARG 40 HD1 ARG 40 -0.568 4.662 -3.675 930 HE ARG 40 HE ARG 40 0.924 2.465 -4.113 931 HH11 ARG 40 HH11 ARG 40 0.016 4.164 -1.179 932 HH12 ARG 40 HH12 ARG 40 0.111 2.737 -0.192 933 HH21 ARG 40 HH21 ARG 40 1.045 0.590 -2.805 934 HH22 ARG 40 HH22 ARG 40 0.675 0.719 -1.107 935 H GLU 41 HN GLU 41 5.628 3.635 -5.151 936 HA GLU 41 HA GLU 41 5.517 0.818 -4.885 937 HB2 GLU 41 HB2 GLU 41 7.863 2.609 -5.547 938 HB3 GLU 41 HB1 GLU 41 7.841 0.860 -5.736 939 HG2 GLU 41 HG2 GLU 41 5.976 1.090 -7.336 940 HG3 GLU 41 HG1 GLU 41 6.108 2.842 -7.196 941 H VAL 42 HN VAL 42 7.204 3.362 -3.100 942 HA VAL 42 HA VAL 42 8.660 1.644 -1.384 943 HB VAL 42 HB VAL 42 7.712 4.467 -0.829 944 HG11 VAL 42 HG11 VAL 42 9.498 4.571 0.803 945 HG12 VAL 42 HG12 VAL 42 9.982 2.921 0.419 946 HG13 VAL 42 HG13 VAL 42 8.423 3.226 1.183 947 HG21 VAL 42 HG21 VAL 42 10.296 3.478 -2.028 948 HG22 VAL 42 HG22 VAL 42 9.951 5.146 -1.576 949 HG23 VAL 42 HG23 VAL 42 9.029 4.375 -2.866 950 H TYR 43 HN TYR 43 5.496 3.208 -1.115 951 HA TYR 43 HA TYR 43 4.897 2.305 1.492 952 HB2 TYR 43 HB2 TYR 43 3.354 3.459 -0.769 953 HB3 TYR 43 HB1 TYR 43 2.444 2.620 0.482 954 HD1 TYR 43 HD1 TYR 43 3.578 3.306 2.960 955 HD2 TYR 43 HD2 TYR 43 3.258 5.738 -0.512 956 HE1 TYR 43 HE1 TYR 43 3.656 5.317 4.369 957 HE2 TYR 43 HE2 TYR 43 3.335 7.752 0.891 958 HH TYR 43 HH TYR 43 2.708 8.259 3.408 959 H ASP 44 HN ASP 44 4.430 0.896 -1.692 960 HA ASP 44 HA ASP 44 2.746 -1.233 -0.905 961 HB2 ASP 44 HB2 ASP 44 4.214 -0.446 -3.294 962 HB3 ASP 44 HB1 ASP 44 4.234 -2.191 -3.055 963 H PHE 45 HN PHE 45 6.222 -0.812 -0.974 964 HA PHE 45 HA PHE 45 6.924 -3.498 -0.422 965 HB2 PHE 45 HB2 PHE 45 8.389 -1.500 -1.253 966 HB3 PHE 45 HB1 PHE 45 8.600 -1.169 0.461 967 HD1 PHE 45 HD2 PHE 45 9.841 -2.701 1.881 968 HD2 PHE 45 HD1 PHE 45 9.384 -3.434 -2.287 969 HE1 PHE 45 HE2 PHE 45 11.649 -4.363 1.980 970 HE2 PHE 45 HE1 PHE 45 11.193 -5.100 -2.193 971 HZ PHE 45 HZ PHE 45 12.328 -5.566 -0.060 972 H ALA 46 HN ALA 46 6.044 -0.759 1.571 973 HA ALA 46 HA ALA 46 6.737 -2.053 4.052 974 HB1 ALA 46 HB1 ALA 46 5.040 0.407 3.646 975 HB2 ALA 46 HB2 ALA 46 6.801 0.417 3.731 976 HB3 ALA 46 HB3 ALA 46 5.857 -0.098 5.127 977 H PHE 47 HN PHE 47 4.107 -2.143 1.915 978 HA PHE 47 HA PHE 47 2.178 -2.919 3.963 979 HB2 PHE 47 HB2 PHE 47 1.740 -1.406 1.868 980 HB3 PHE 47 HB1 PHE 47 1.603 -2.942 1.020 981 HD1 PHE 47 HD1 PHE 47 0.137 -0.797 3.608 982 HD2 PHE 47 HD2 PHE 47 -0.286 -4.378 1.342 983 HE1 PHE 47 HE1 PHE 47 -2.206 -0.981 4.337 984 HE2 PHE 47 HE2 PHE 47 -2.628 -4.564 2.067 985 HZ PHE 47 HZ PHE 47 -3.593 -2.865 3.565 986 H ARG 48 HN ARG 48 3.911 -4.269 1.196 987 HA ARG 48 HA ARG 48 2.757 -6.906 1.706 988 HB2 ARG 48 HB2 ARG 48 4.650 -5.994 -0.472 989 HB3 ARG 48 HB1 ARG 48 3.922 -7.590 -0.356 990 HG2 ARG 48 HG2 ARG 48 1.690 -6.546 -0.587 991 HG3 ARG 48 HG1 ARG 48 2.480 -4.983 -0.810 992 HD2 ARG 48 HD2 ARG 48 3.765 -6.632 -2.620 993 HD3 ARG 48 HD1 ARG 48 2.085 -7.162 -2.696 994 HE ARG 48 HE ARG 48 2.107 -4.368 -2.798 995 HH11 ARG 48 HH11 ARG 48 3.127 -7.085 -4.788 996 HH12 ARG 48 HH12 ARG 48 2.984 -6.195 -6.270 997 HH21 ARG 48 HH21 ARG 48 1.929 -3.225 -4.727 998 HH22 ARG 48 HH22 ARG 48 2.313 -3.997 -6.242 999 H ASP 49 HN ASP 49 3.843 -8.539 2.631 1000 HA ASP 49 HA ASP 49 6.227 -7.992 4.075 1001 HB2 ASP 49 HB2 ASP 49 6.109 -10.558 4.483 1002 HB3 ASP 49 HB1 ASP 49 4.843 -9.535 5.147 1003 H LEU 50 HN LEU 50 7.904 -7.497 2.771 1004 HA LEU 50 HA LEU 50 8.968 -9.685 1.120 1005 HB2 LEU 50 HB2 LEU 50 9.189 -6.764 0.398 1006 HB3 LEU 50 HB1 LEU 50 9.676 -8.141 -0.572 1007 HG LEU 50 HG LEU 50 6.801 -7.838 0.188 1008 HD11 LEU 50 HD11 LEU 50 6.449 -6.540 -1.884 1009 HD12 LEU 50 HD12 LEU 50 8.199 -6.359 -2.029 1010 HD13 LEU 50 HD13 LEU 50 7.349 -5.657 -0.652 1011 HD21 LEU 50 HD21 LEU 50 8.205 -8.947 -2.241 1012 HD22 LEU 50 HD22 LEU 50 6.465 -8.960 -1.952 1013 HD23 LEU 50 HD23 LEU 50 7.538 -9.889 -0.905 1014 H CYS 51 HN CYS 51 11.370 -8.969 0.493 1015 HA CYS 51 HA CYS 51 12.645 -7.916 2.924 1016 HB2 CYS 51 HB2 CYS 51 14.499 -9.565 2.478 1017 HB3 CYS 51 HB1 CYS 51 12.981 -10.289 2.994 1018 HG CYS 51 HG CYS 51 13.495 -10.054 -0.338 1019 H ILE 52 HN ILE 52 14.636 -6.829 2.604 1020 HA ILE 52 HA ILE 52 14.785 -5.467 0.071 1021 HB ILE 52 HB ILE 52 16.595 -5.250 2.486 1022 HG12 ILE 52 HG12 ILE 52 14.331 -3.435 1.625 1023 HG13 ILE 52 HG11 ILE 52 14.208 -4.640 2.903 1024 HG21 ILE 52 HG21 ILE 52 17.718 -4.457 0.505 1025 HG22 ILE 52 HG22 ILE 52 17.243 -3.075 1.489 1026 HG23 ILE 52 HG23 ILE 52 16.314 -3.491 0.049 1027 HD11 ILE 52 HD11 ILE 52 14.596 -2.306 3.674 1028 HD12 ILE 52 HD12 ILE 52 16.195 -2.385 2.939 1029 HD13 ILE 52 HD13 ILE 52 15.773 -3.480 4.256 1030 H VAL 53 HN VAL 53 15.950 -6.070 -1.592 1031 HA VAL 53 HA VAL 53 17.953 -8.171 -1.276 1032 HB VAL 53 HB VAL 53 17.912 -7.874 -3.915 1033 HG11 VAL 53 HG11 VAL 53 15.754 -9.262 -2.326 1034 HG12 VAL 53 HG12 VAL 53 17.339 -9.920 -2.733 1035 HG13 VAL 53 HG13 VAL 53 16.161 -9.602 -4.008 1036 HG21 VAL 53 HG21 VAL 53 15.678 -7.293 -4.716 1037 HG22 VAL 53 HG22 VAL 53 16.431 -5.928 -3.891 1038 HG23 VAL 53 HG23 VAL 53 15.189 -6.878 -3.073 1039 H TYR 54 HN TYR 54 19.987 -7.561 -0.991 1040 HA TYR 54 HA TYR 54 20.836 -4.932 -1.921 1041 HB2 TYR 54 HB2 TYR 54 22.063 -6.943 -0.047 1042 HB3 TYR 54 HB1 TYR 54 22.938 -5.520 -0.605 1043 HD1 TYR 54 HD2 TYR 54 22.258 -3.282 0.110 1044 HD2 TYR 54 HD1 TYR 54 20.236 -6.742 1.529 1045 HE1 TYR 54 HE2 TYR 54 21.220 -1.937 1.886 1046 HE2 TYR 54 HE1 TYR 54 19.191 -5.409 3.307 1047 HH TYR 54 HH TYR 54 19.152 -3.439 4.347 1048 H ARG 55 HN ARG 55 21.566 -4.833 -3.888 1049 HA ARG 55 HA ARG 55 22.986 -7.112 -5.056 1050 HB2 ARG 55 HB2 ARG 55 21.014 -5.946 -6.224 1051 HB3 ARG 55 HB1 ARG 55 22.108 -4.598 -6.494 1052 HG2 ARG 55 HG2 ARG 55 22.803 -7.371 -7.401 1053 HG3 ARG 55 HG1 ARG 55 21.781 -6.314 -8.371 1054 HD2 ARG 55 HD2 ARG 55 24.622 -5.807 -7.497 1055 HD3 ARG 55 HD1 ARG 55 24.054 -6.123 -9.135 1056 HE ARG 55 HE ARG 55 22.961 -3.773 -7.817 1057 HH11 ARG 55 HH11 ARG 55 25.350 -5.062 -10.023 1058 HH12 ARG 55 HH12 ARG 55 25.626 -3.545 -10.816 1059 HH21 ARG 55 HH21 ARG 55 23.344 -1.750 -8.835 1060 HH22 ARG 55 HH22 ARG 55 24.487 -1.666 -10.143 1061 H ASP 56 HN ASP 56 25.094 -7.077 -4.814 1062 HA ASP 56 HA ASP 56 27.264 -6.426 -4.897 1063 HB2 ASP 56 HB2 ASP 56 26.705 -5.102 -6.884 1064 HB3 ASP 56 HB1 ASP 56 26.214 -3.757 -5.858 1065 H GLY 57 HN GLY 57 25.240 -3.789 -3.613 1066 HA2 GLY 57 HA2 GLY 57 25.924 -3.990 -0.975 1067 HA3 GLY 57 HA1 GLY 57 27.227 -3.041 -1.671 1068 H ASN 58 HN ASN 58 24.362 -2.542 -3.338 1069 HA ASN 58 HA ASN 58 23.942 -0.024 -1.891 1070 HB2 ASN 58 HB2 ASN 58 24.165 -0.652 -4.672 1071 HB3 ASN 58 HB1 ASN 58 22.539 -0.054 -4.369 1072 HD21 ASN 58 HD21 ASN 58 25.006 1.060 -5.713 1073 HD22 ASN 58 HD22 ASN 58 25.193 2.631 -5.013 1074 HA PRO 59 HA PRO 59 20.020 -1.583 -0.487 1075 HB2 PRO 59 HB2 PRO 59 19.068 1.212 -0.540 1076 HB3 PRO 59 HB1 PRO 59 19.233 0.104 0.836 1077 HG2 PRO 59 HG2 PRO 59 20.859 2.191 0.515 1078 HG3 PRO 59 HG1 PRO 59 21.412 0.656 1.209 1079 HD2 PRO 59 HD2 PRO 59 21.837 1.742 -1.540 1080 HD3 PRO 59 HD1 PRO 59 22.948 0.834 -0.495 1081 H TYR 60 HN TYR 60 18.988 -2.634 -2.081 1082 HA TYR 60 HA TYR 60 17.585 -1.024 -4.104 1083 HB2 TYR 60 HB2 TYR 60 18.822 -3.763 -4.289 1084 HB3 TYR 60 HB1 TYR 60 17.604 -3.211 -5.432 1085 HD1 TYR 60 HD1 TYR 60 18.145 -0.851 -6.531 1086 HD2 TYR 60 HD2 TYR 60 21.030 -3.465 -4.833 1087 HE1 TYR 60 HE1 TYR 60 19.893 0.193 -7.910 1088 HE2 TYR 60 HE2 TYR 60 22.786 -2.428 -6.199 1089 HH TYR 60 HH TYR 60 22.427 0.466 -7.783 1090 H ALA 61 HN ALA 61 15.475 -1.578 -4.599 1091 HA ALA 61 HA ALA 61 14.198 -3.515 -2.786 1092 HB1 ALA 61 HB1 ALA 61 13.614 -1.385 -1.901 1093 HB2 ALA 61 HB2 ALA 61 12.206 -1.971 -2.787 1094 HB3 ALA 61 HB3 ALA 61 13.252 -0.745 -3.505 1095 H VAL 62 HN VAL 62 11.968 -4.096 -3.608 1096 HA VAL 62 HA VAL 62 12.161 -4.626 -6.480 1097 HB VAL 62 HB VAL 62 10.116 -5.806 -4.604 1098 HG11 VAL 62 HG11 VAL 62 10.065 -7.607 -6.244 1099 HG12 VAL 62 HG12 VAL 62 11.336 -6.814 -7.175 1100 HG13 VAL 62 HG13 VAL 62 9.752 -6.055 -7.020 1101 HG21 VAL 62 HG21 VAL 62 11.593 -7.723 -4.263 1102 HG22 VAL 62 HG22 VAL 62 12.320 -6.247 -3.630 1103 HG23 VAL 62 HG23 VAL 62 12.872 -6.911 -5.168 1104 H CYS 63 HN CYS 63 11.144 -3.198 -7.734 1105 HA CYS 63 HA CYS 63 9.197 -1.395 -6.695 1106 HB2 CYS 63 HB2 CYS 63 9.108 -0.509 -8.975 1107 HB3 CYS 63 HB1 CYS 63 10.771 -0.719 -8.440 1108 H ASP 64 HN ASP 64 7.157 -1.011 -8.075 1109 HA ASP 64 HA ASP 64 5.397 -3.168 -7.646 1110 HB2 ASP 64 HB2 ASP 64 4.788 -0.737 -7.690 1111 HB3 ASP 64 HB1 ASP 64 4.968 -0.766 -9.437 1112 H LYS 65 HN LYS 65 7.441 -2.377 -10.278 1113 HA LYS 65 HA LYS 65 5.973 -3.900 -12.250 1114 HB2 LYS 65 HB2 LYS 65 8.686 -2.572 -12.324 1115 HB3 LYS 65 HB1 LYS 65 7.985 -3.441 -13.683 1116 HG2 LYS 65 HG2 LYS 65 7.403 -1.300 -14.208 1117 HG3 LYS 65 HG1 LYS 65 5.977 -1.803 -13.299 1118 HD2 LYS 65 HD2 LYS 65 6.483 0.287 -12.399 1119 HD3 LYS 65 HD1 LYS 65 7.215 -0.836 -11.252 1120 HE2 LYS 65 HE2 LYS 65 9.241 -0.467 -13.033 1121 HE3 LYS 65 HE1 LYS 65 8.466 1.117 -13.043 1122 HZ1 LYS 65 HZ1 LYS 65 9.764 -0.298 -10.816 1123 HZ2 LYS 65 HZ2 LYS 65 8.572 0.868 -10.487 1124 HZ3 LYS 65 HZ3 LYS 65 9.976 1.298 -11.341 1125 H CYS 66 HN CYS 66 9.095 -4.223 -10.553 1126 HA CYS 66 HA CYS 66 9.634 -6.791 -11.635 1127 HB2 CYS 66 HB2 CYS 66 10.773 -5.465 -9.169 1128 HB3 CYS 66 HB1 CYS 66 11.444 -6.877 -9.982 1129 H LEU 67 HN LEU 67 7.833 -5.675 -8.890 1130 HA LEU 67 HA LEU 67 7.809 -7.962 -7.314 1131 HB2 LEU 67 HB2 LEU 67 6.019 -5.627 -7.657 1132 HB3 LEU 67 HB1 LEU 67 5.351 -7.014 -6.818 1133 HG LEU 67 HG LEU 67 7.917 -5.641 -6.007 1134 HD11 LEU 67 HD11 LEU 67 6.616 -4.612 -4.211 1135 HD12 LEU 67 HD12 LEU 67 5.141 -5.308 -4.880 1136 HD13 LEU 67 HD13 LEU 67 6.036 -4.095 -5.795 1137 HD21 LEU 67 HD21 LEU 67 7.634 -6.878 -3.938 1138 HD22 LEU 67 HD22 LEU 67 7.687 -7.984 -5.308 1139 HD23 LEU 67 HD23 LEU 67 6.145 -7.594 -4.551 1140 H LYS 68 HN LYS 68 5.684 -7.116 -10.028 1141 HA LYS 68 HA LYS 68 4.176 -9.555 -9.770 1142 HB2 LYS 68 HB2 LYS 68 3.037 -8.830 -11.798 1143 HB3 LYS 68 HB1 LYS 68 3.117 -7.530 -10.619 1144 HG2 LYS 68 HG2 LYS 68 5.270 -6.872 -11.969 1145 HG3 LYS 68 HG1 LYS 68 4.490 -7.815 -13.239 1146 HD2 LYS 68 HD2 LYS 68 2.517 -6.132 -12.095 1147 HD3 LYS 68 HD1 LYS 68 3.945 -5.143 -12.417 1148 HE2 LYS 68 HE2 LYS 68 2.693 -5.059 -14.399 1149 HE3 LYS 68 HE1 LYS 68 3.974 -6.224 -14.721 1150 HZ1 LYS 68 HZ1 LYS 68 1.187 -6.908 -13.949 1151 HZ2 LYS 68 HZ2 LYS 68 2.418 -8.013 -14.299 1152 HZ3 LYS 68 HZ3 LYS 68 1.826 -6.999 -15.512 1153 H PHE 69 HN PHE 69 7.160 -8.746 -11.133 1154 HA PHE 69 HA PHE 69 7.103 -10.585 -13.337 1155 HB2 PHE 69 HB2 PHE 69 9.083 -8.752 -12.120 1156 HB3 PHE 69 HB1 PHE 69 9.747 -10.156 -12.942 1157 HD1 PHE 69 HD1 PHE 69 6.785 -8.067 -13.762 1158 HD2 PHE 69 HD2 PHE 69 10.671 -9.368 -14.923 1159 HE1 PHE 69 HE1 PHE 69 6.538 -6.888 -15.905 1160 HE2 PHE 69 HE2 PHE 69 10.423 -8.188 -17.068 1161 HZ PHE 69 HZ PHE 69 8.354 -6.952 -17.562 1162 H TYR 70 HN TYR 70 7.888 -10.743 -9.974 1163 HA TYR 70 HA TYR 70 8.843 -13.506 -10.321 1164 HB2 TYR 70 HB2 TYR 70 9.775 -11.297 -8.539 1165 HB3 TYR 70 HB1 TYR 70 9.888 -12.953 -7.955 1166 HD1 TYR 70 HD1 TYR 70 11.017 -14.644 -9.668 1167 HD2 TYR 70 HD2 TYR 70 11.555 -10.425 -9.697 1168 HE1 TYR 70 HE1 TYR 70 13.130 -14.927 -10.887 1169 HE2 TYR 70 HE2 TYR 70 13.670 -10.697 -10.923 1170 HH TYR 70 HH TYR 70 15.445 -12.919 -11.018 Start of MODEL 19 1 H MET 1 HT1 MET 1 -22.957 -5.439 -4.528 2 HA MET 1 HA MET 1 -24.840 -5.437 -3.136 3 HB2 MET 1 HB2 MET 1 -26.393 -7.373 -3.113 4 HB3 MET 1 HB1 MET 1 -26.441 -6.475 -4.621 5 HG2 MET 1 HG2 MET 1 -25.085 -8.158 -5.704 6 HG3 MET 1 HG1 MET 1 -24.927 -9.036 -4.184 7 HE1 MET 1 HE1 MET 1 -28.267 -10.742 -3.644 8 HE2 MET 1 HE2 MET 1 -27.643 -9.310 -2.826 9 HE3 MET 1 HE3 MET 1 -26.555 -10.636 -3.234 10 H PHE 2 HN PHE 2 -24.757 -6.351 -1.069 11 HA PHE 2 HA PHE 2 -23.212 -8.743 -0.615 12 HB2 PHE 2 HB2 PHE 2 -21.758 -6.432 -0.755 13 HB3 PHE 2 HB1 PHE 2 -22.143 -6.489 0.961 14 HD1 PHE 2 HD1 PHE 2 -21.550 -9.399 -1.259 15 HD2 PHE 2 HD2 PHE 2 -20.037 -6.940 1.864 16 HE1 PHE 2 HE1 PHE 2 -19.714 -10.994 -0.895 17 HE2 PHE 2 HE2 PHE 2 -18.204 -8.528 2.232 18 HZ PHE 2 HZ PHE 2 -18.039 -10.559 0.852 19 H GLN 3 HN GLN 3 -24.454 -9.781 0.775 20 HA GLN 3 HA GLN 3 -25.569 -8.295 3.053 21 HB2 GLN 3 HB2 GLN 3 -27.362 -10.357 2.674 22 HB3 GLN 3 HB1 GLN 3 -27.620 -8.679 2.226 23 HG2 GLN 3 HG2 GLN 3 -28.206 -10.064 0.376 24 HG3 GLN 3 HG1 GLN 3 -26.723 -9.199 -0.026 25 HE21 GLN 3 HE21 GLN 3 -28.095 -12.294 0.840 26 HE22 GLN 3 HE22 GLN 3 -26.764 -13.252 0.288 27 H ASP 4 HN ASP 4 -26.785 -10.528 4.266 28 HA ASP 4 HA ASP 4 -24.722 -11.531 5.834 29 HB2 ASP 4 HB2 ASP 4 -26.352 -12.776 6.952 30 HB3 ASP 4 HB1 ASP 4 -27.283 -11.460 6.253 31 HA PRO 5 HA PRO 5 -24.538 -13.524 7.132 32 HB2 PRO 5 HB2 PRO 5 -22.305 -14.953 7.639 33 HB3 PRO 5 HB1 PRO 5 -23.865 -15.730 7.307 34 HG2 PRO 5 HG2 PRO 5 -21.538 -15.333 5.500 35 HG3 PRO 5 HG1 PRO 5 -22.601 -16.743 5.684 36 HD2 PRO 5 HD2 PRO 5 -22.851 -14.907 3.673 37 HD3 PRO 5 HD1 PRO 5 -24.191 -15.894 4.288 38 H GLN 6 HN GLN 6 -22.728 -12.184 4.746 39 HA GLN 6 HA GLN 6 -20.549 -11.146 6.320 40 HB2 GLN 6 HB2 GLN 6 -21.543 -10.639 3.521 41 HB3 GLN 6 HB1 GLN 6 -20.292 -9.637 4.241 42 HG2 GLN 6 HG2 GLN 6 -19.123 -11.230 3.014 43 HG3 GLN 6 HG1 GLN 6 -19.029 -11.805 4.675 44 HE21 GLN 6 HE21 GLN 6 -21.839 -12.067 2.571 45 HE22 GLN 6 HE22 GLN 6 -21.808 -13.792 2.446 46 H GLU 7 HN GLU 7 -21.025 -9.741 7.893 47 HA GLU 7 HA GLU 7 -23.280 -7.978 7.770 48 HB2 GLU 7 HB2 GLU 7 -22.432 -8.933 9.896 49 HB3 GLU 7 HB1 GLU 7 -20.964 -7.983 9.718 50 HG2 GLU 7 HG2 GLU 7 -22.552 -6.975 11.291 51 HG3 GLU 7 HG1 GLU 7 -22.220 -5.930 9.912 52 H ARG 8 HN ARG 8 -20.138 -7.875 6.579 53 HA ARG 8 HA ARG 8 -18.977 -6.329 5.398 54 HB2 ARG 8 HB2 ARG 8 -21.390 -4.537 5.695 55 HB3 ARG 8 HB1 ARG 8 -20.083 -4.351 4.537 56 HG2 ARG 8 HG2 ARG 8 -20.976 -5.825 3.114 57 HG3 ARG 8 HG1 ARG 8 -21.444 -6.939 4.401 58 HD2 ARG 8 HD2 ARG 8 -22.897 -4.392 3.688 59 HD3 ARG 8 HD1 ARG 8 -23.381 -6.009 3.182 60 HE ARG 8 HE ARG 8 -23.114 -5.585 6.049 61 HH11 ARG 8 HH11 ARG 8 -25.233 -5.741 3.264 62 HH12 ARG 8 HH12 ARG 8 -26.670 -5.953 4.212 63 HH21 ARG 8 HH21 ARG 8 -25.009 -5.923 7.308 64 HH22 ARG 8 HH22 ARG 8 -26.547 -6.062 6.501 65 HA PRO 9 HA PRO 9 -17.612 -4.339 9.284 66 HB2 PRO 9 HB2 PRO 9 -14.961 -4.382 8.532 67 HB3 PRO 9 HB1 PRO 9 -15.769 -5.700 9.401 68 HG2 PRO 9 HG2 PRO 9 -15.121 -5.465 6.513 69 HG3 PRO 9 HG1 PRO 9 -15.090 -6.887 7.571 70 HD2 PRO 9 HD2 PRO 9 -17.088 -6.425 5.811 71 HD3 PRO 9 HD1 PRO 9 -17.337 -7.276 7.350 72 H ARG 10 HN ARG 10 -16.587 -2.260 9.628 73 HA ARG 10 HA ARG 10 -16.980 -0.520 7.320 74 HB2 ARG 10 HB2 ARG 10 -17.044 -0.166 10.261 75 HB3 ARG 10 HB1 ARG 10 -16.503 1.214 9.315 76 HG2 ARG 10 HG2 ARG 10 -18.893 1.320 9.773 77 HG3 ARG 10 HG1 ARG 10 -18.579 1.184 8.045 78 HD2 ARG 10 HD2 ARG 10 -19.124 -1.185 8.103 79 HD3 ARG 10 HD1 ARG 10 -19.342 -1.116 9.851 80 HE ARG 10 HE ARG 10 -21.056 0.761 8.707 81 HH11 ARG 10 HH11 ARG 10 -20.660 -2.732 8.655 82 HH12 ARG 10 HH12 ARG 10 -22.361 -3.040 8.524 83 HH21 ARG 10 HH21 ARG 10 -23.290 0.329 8.497 84 HH22 ARG 10 HH22 ARG 10 -23.840 -1.317 8.423 85 H LYS 11 HN LYS 11 -14.573 -2.276 7.905 86 HA LYS 11 HA LYS 11 -12.565 -0.185 7.451 87 HB2 LYS 11 HB2 LYS 11 -12.389 -2.584 9.250 88 HB3 LYS 11 HB1 LYS 11 -10.938 -1.883 8.550 89 HG2 LYS 11 HG2 LYS 11 -12.912 -0.295 10.170 90 HG3 LYS 11 HG1 LYS 11 -11.521 -1.121 10.874 91 HD2 LYS 11 HD2 LYS 11 -10.066 0.178 9.299 92 HD3 LYS 11 HD1 LYS 11 -11.498 1.101 8.835 93 HE2 LYS 11 HE2 LYS 11 -11.785 1.815 11.166 94 HE3 LYS 11 HE1 LYS 11 -10.346 0.902 11.622 95 HZ1 LYS 11 HZ1 LYS 11 -9.068 2.316 10.091 96 HZ2 LYS 11 HZ2 LYS 11 -9.779 3.207 11.338 97 HZ3 LYS 11 HZ3 LYS 11 -10.458 3.232 9.782 98 H LEU 12 HN LEU 12 -11.428 -0.434 5.672 99 HA LEU 12 HA LEU 12 -12.088 -2.147 3.639 100 HB2 LEU 12 HB2 LEU 12 -10.891 -0.070 3.326 101 HB3 LEU 12 HB1 LEU 12 -9.478 -0.731 4.124 102 HG LEU 12 HG LEU 12 -9.362 -2.435 2.256 103 HD11 LEU 12 HD11 LEU 12 -11.348 -0.542 1.005 104 HD12 LEU 12 HD12 LEU 12 -11.636 -2.229 1.429 105 HD13 LEU 12 HD13 LEU 12 -10.481 -1.825 0.159 106 HD21 LEU 12 HD21 LEU 12 -8.175 -0.951 0.818 107 HD22 LEU 12 HD22 LEU 12 -7.955 -0.381 2.471 108 HD23 LEU 12 HD23 LEU 12 -9.093 0.438 1.402 109 HA PRO 13 HA PRO 13 -8.102 -4.904 4.617 110 HB2 PRO 13 HB2 PRO 13 -7.794 -5.120 7.396 111 HB3 PRO 13 HB1 PRO 13 -6.736 -4.221 6.295 112 HG2 PRO 13 HG2 PRO 13 -8.939 -3.227 8.018 113 HG3 PRO 13 HG1 PRO 13 -7.393 -2.463 7.596 114 HD2 PRO 13 HD2 PRO 13 -9.672 -1.663 6.459 115 HD3 PRO 13 HD1 PRO 13 -8.157 -1.739 5.535 116 H GLN 14 HN GLN 14 -10.830 -4.697 6.889 117 HA GLN 14 HA GLN 14 -10.947 -7.582 7.131 118 HB2 GLN 14 HB2 GLN 14 -12.336 -5.287 8.412 119 HB3 GLN 14 HB1 GLN 14 -13.167 -6.835 8.387 120 HG2 GLN 14 HG2 GLN 14 -11.131 -7.847 9.425 121 HG3 GLN 14 HG1 GLN 14 -10.497 -6.214 9.612 122 HE21 GLN 14 HE21 GLN 14 -10.458 -6.473 11.862 123 HE22 GLN 14 HE22 GLN 14 -11.908 -6.412 12.808 124 H LEU 15 HN LEU 15 -12.444 -5.095 5.245 125 HA LEU 15 HA LEU 15 -14.770 -6.578 4.507 126 HB2 LEU 15 HB2 LEU 15 -14.688 -4.132 4.353 127 HB3 LEU 15 HB1 LEU 15 -13.445 -4.246 3.124 128 HG LEU 15 HG LEU 15 -15.109 -5.469 1.677 129 HD11 LEU 15 HD11 LEU 15 -16.631 -6.189 3.445 130 HD12 LEU 15 HD12 LEU 15 -17.475 -5.236 2.225 131 HD13 LEU 15 HD13 LEU 15 -17.051 -4.508 3.775 132 HD21 LEU 15 HD21 LEU 15 -16.251 -3.449 0.979 133 HD22 LEU 15 HD22 LEU 15 -14.573 -3.088 1.385 134 HD23 LEU 15 HD23 LEU 15 -15.865 -2.671 2.513 135 H CYS 16 HN CYS 16 -11.536 -6.248 3.216 136 HA CYS 16 HA CYS 16 -11.924 -7.397 0.697 137 HB2 CYS 16 HB2 CYS 16 -9.464 -7.598 2.449 138 HB3 CYS 16 HB1 CYS 16 -9.522 -7.820 0.702 139 HG CYS 16 HG CYS 16 -10.308 -4.858 2.236 140 H THR 17 HN THR 17 -11.265 -8.862 3.846 141 HA THR 17 HA THR 17 -10.937 -11.511 2.947 142 HB THR 17 HB THR 17 -12.127 -11.308 5.596 143 HG1 THR 17 HG1 THR 17 -10.486 -9.983 6.466 144 HG21 THR 17 HG21 THR 17 -9.336 -12.048 4.704 145 HG22 THR 17 HG22 THR 17 -10.701 -13.162 4.742 146 HG23 THR 17 HG23 THR 17 -10.097 -12.459 6.241 147 H GLU 18 HN GLU 18 -13.777 -9.598 3.700 148 HA GLU 18 HA GLU 18 -15.656 -11.702 3.884 149 HB2 GLU 18 HB2 GLU 18 -16.125 -8.881 2.909 150 HB3 GLU 18 HB1 GLU 18 -17.347 -9.989 3.517 151 HG2 GLU 18 HG2 GLU 18 -15.044 -9.202 5.241 152 HG3 GLU 18 HG1 GLU 18 -16.416 -8.116 5.038 153 H LEU 19 HN LEU 19 -14.373 -9.836 1.205 154 HA LEU 19 HA LEU 19 -16.078 -11.131 -0.747 155 HB2 LEU 19 HB2 LEU 19 -13.863 -9.103 -0.919 156 HB3 LEU 19 HB1 LEU 19 -14.538 -9.846 -2.355 157 HG LEU 19 HG LEU 19 -16.302 -8.430 -0.381 158 HD11 LEU 19 HD11 LEU 19 -14.817 -7.194 -2.696 159 HD12 LEU 19 HD12 LEU 19 -14.548 -6.854 -0.988 160 HD13 LEU 19 HD13 LEU 19 -16.078 -6.408 -1.745 161 HD21 LEU 19 HD21 LEU 19 -17.340 -9.866 -2.083 162 HD22 LEU 19 HD22 LEU 19 -16.537 -8.933 -3.346 163 HD23 LEU 19 HD23 LEU 19 -17.741 -8.164 -2.314 164 H GLN 20 HN GLN 20 -13.427 -12.023 0.938 165 HA GLN 20 HA GLN 20 -11.877 -13.671 0.784 166 HB2 GLN 20 HB2 GLN 20 -13.553 -14.583 -1.561 167 HB3 GLN 20 HB1 GLN 20 -12.332 -15.544 -0.739 168 HG2 GLN 20 HG2 GLN 20 -14.651 -14.404 0.761 169 HG3 GLN 20 HG1 GLN 20 -14.814 -15.899 -0.155 170 HE21 GLN 20 HE21 GLN 20 -13.429 -14.368 2.625 171 HE22 GLN 20 HE22 GLN 20 -12.868 -15.818 3.388 172 H THR 21 HN THR 21 -11.418 -11.180 -0.577 173 HA THR 21 HA THR 21 -9.455 -12.120 -2.542 174 HB THR 21 HB THR 21 -11.495 -11.046 -3.627 175 HG1 THR 21 HG1 THR 21 -10.145 -9.885 -5.106 176 HG21 THR 21 HG21 THR 21 -11.828 -9.232 -2.019 177 HG22 THR 21 HG22 THR 21 -11.579 -8.597 -3.646 178 HG23 THR 21 HG23 THR 21 -10.268 -8.542 -2.467 179 H THR 22 HN THR 22 -7.951 -10.053 -3.045 180 HA THR 22 HA THR 22 -6.992 -9.232 -0.400 181 HB THR 22 HB THR 22 -4.864 -8.693 -1.621 182 HG1 THR 22 HG1 THR 22 -4.919 -10.001 -3.768 183 HG21 THR 22 HG21 THR 22 -5.868 -11.534 -1.865 184 HG22 THR 22 HG22 THR 22 -5.122 -10.815 -0.438 185 HG23 THR 22 HG23 THR 22 -4.178 -11.037 -1.910 186 H ILE 23 HN ILE 23 -5.870 -7.075 -0.346 187 HA ILE 23 HA ILE 23 -7.691 -5.026 -1.074 188 HB ILE 23 HB ILE 23 -4.830 -4.599 -0.220 189 HG12 ILE 23 HG12 ILE 23 -7.241 -5.201 1.507 190 HG13 ILE 23 HG11 ILE 23 -5.810 -6.207 1.317 191 HG21 ILE 23 HG21 ILE 23 -5.753 -2.568 0.823 192 HG22 ILE 23 HG22 ILE 23 -7.340 -2.971 0.171 193 HG23 ILE 23 HG23 ILE 23 -6.007 -2.598 -0.922 194 HD11 ILE 23 HD11 ILE 23 -5.913 -3.482 2.585 195 HD12 ILE 23 HD12 ILE 23 -4.457 -4.452 2.361 196 HD13 ILE 23 HD13 ILE 23 -5.745 -5.027 3.421 197 H HIS 24 HN HIS 24 -5.319 -6.628 -2.806 198 HA HIS 24 HA HIS 24 -4.631 -4.397 -4.542 199 HB2 HIS 24 HB2 HIS 24 -3.804 -7.294 -4.828 200 HB3 HIS 24 HB1 HIS 24 -3.052 -5.891 -5.577 201 HD1 HIS 24 HD1 HIS 24 -1.361 -4.545 -4.140 202 HD2 HIS 24 HD2 HIS 24 -3.168 -7.701 -2.127 203 HE1 HIS 24 HE1 HIS 24 -0.071 -4.851 -1.984 204 H ASP 25 HN ASP 25 -7.196 -6.399 -4.258 205 HA ASP 25 HA ASP 25 -7.676 -6.400 -7.161 206 HB2 ASP 25 HB2 ASP 25 -7.267 -8.676 -6.425 207 HB3 ASP 25 HB1 ASP 25 -8.485 -8.515 -5.164 208 H ILE 26 HN ILE 26 -9.040 -5.982 -3.953 209 HA ILE 26 HA ILE 26 -11.737 -5.724 -4.675 210 HB ILE 26 HB ILE 26 -11.145 -6.024 -2.362 211 HG12 ILE 26 HG12 ILE 26 -12.348 -3.268 -2.698 212 HG13 ILE 26 HG11 ILE 26 -13.233 -4.773 -2.921 213 HG21 ILE 26 HG21 ILE 26 -9.978 -4.406 -1.041 214 HG22 ILE 26 HG22 ILE 26 -9.935 -3.266 -2.387 215 HG23 ILE 26 HG23 ILE 26 -9.004 -4.761 -2.469 216 HD11 ILE 26 HD11 ILE 26 -13.646 -3.768 -0.735 217 HD12 ILE 26 HD12 ILE 26 -11.926 -3.882 -0.360 218 HD13 ILE 26 HD13 ILE 26 -12.877 -5.349 -0.592 219 H ILE 27 HN ILE 27 -12.795 -4.231 -5.768 220 HA ILE 27 HA ILE 27 -11.528 -1.598 -6.144 221 HB ILE 27 HB ILE 27 -13.452 -3.028 -7.989 222 HG12 ILE 27 HG12 ILE 27 -11.224 -4.022 -8.053 223 HG13 ILE 27 HG11 ILE 27 -11.532 -3.138 -9.543 224 HG21 ILE 27 HG21 ILE 27 -13.032 -1.179 -9.549 225 HG22 ILE 27 HG22 ILE 27 -12.053 -0.374 -8.322 226 HG23 ILE 27 HG23 ILE 27 -13.778 -0.617 -8.053 227 HD11 ILE 27 HD11 ILE 27 -10.238 -1.231 -8.561 228 HD12 ILE 27 HD12 ILE 27 -9.302 -2.687 -8.896 229 HD13 ILE 27 HD13 ILE 27 -9.785 -2.310 -7.241 230 H LEU 28 HN LEU 28 -12.468 -0.173 -4.839 231 HA LEU 28 HA LEU 28 -15.380 -0.323 -4.470 232 HB2 LEU 28 HB2 LEU 28 -13.271 -0.058 -2.597 233 HB3 LEU 28 HB1 LEU 28 -14.124 1.472 -2.621 234 HG LEU 28 HG LEU 28 -16.228 0.328 -2.105 235 HD11 LEU 28 HD11 LEU 28 -16.119 -2.071 -1.400 236 HD12 LEU 28 HD12 LEU 28 -14.517 -2.148 -2.133 237 HD13 LEU 28 HD13 LEU 28 -15.928 -1.799 -3.130 238 HD21 LEU 28 HD21 LEU 28 -13.923 -0.275 -0.262 239 HD22 LEU 28 HD22 LEU 28 -15.619 -0.440 0.188 240 HD23 LEU 28 HD23 LEU 28 -14.973 1.143 -0.241 241 H GLU 29 HN GLU 29 -16.539 1.720 -4.404 242 HA GLU 29 HA GLU 29 -15.220 3.756 -6.063 243 HB2 GLU 29 HB2 GLU 29 -17.735 4.340 -6.579 244 HB3 GLU 29 HB1 GLU 29 -16.909 3.055 -7.448 245 HG2 GLU 29 HG2 GLU 29 -17.882 1.450 -5.771 246 HG3 GLU 29 HG1 GLU 29 -18.880 2.787 -5.201 247 H CYS 30 HN CYS 30 -16.038 5.979 -5.753 248 HA CYS 30 HA CYS 30 -15.866 6.704 -3.030 249 HB2 CYS 30 HB2 CYS 30 -15.026 8.181 -4.751 250 HB3 CYS 30 HB1 CYS 30 -16.627 8.330 -5.460 251 H VAL 31 HN VAL 31 -17.339 7.388 -1.609 252 HA VAL 31 HA VAL 31 -20.024 6.485 -1.924 253 HB VAL 31 HB VAL 31 -18.834 6.368 0.227 254 HG11 VAL 31 HG11 VAL 31 -18.537 8.390 1.588 255 HG12 VAL 31 HG12 VAL 31 -19.047 9.375 0.216 256 HG13 VAL 31 HG13 VAL 31 -17.564 8.425 0.118 257 HG21 VAL 31 HG21 VAL 31 -20.653 6.995 1.643 258 HG22 VAL 31 HG22 VAL 31 -21.324 6.436 0.110 259 HG23 VAL 31 HG23 VAL 31 -21.240 8.163 0.460 260 H TYR 32 HN TYR 32 -18.430 9.451 -2.606 261 HA TYR 32 HA TYR 32 -20.974 10.905 -2.477 262 HB2 TYR 32 HB2 TYR 32 -18.119 11.845 -2.612 263 HB3 TYR 32 HB1 TYR 32 -19.478 12.932 -2.875 264 HD1 TYR 32 HD2 TYR 32 -21.370 12.701 -0.964 265 HD2 TYR 32 HD1 TYR 32 -17.242 11.786 -0.478 266 HE1 TYR 32 HE2 TYR 32 -21.590 13.023 1.464 267 HE2 TYR 32 HE1 TYR 32 -17.453 12.104 1.951 268 HH TYR 32 HH TYR 32 -19.072 13.471 3.499 269 H CYS 33 HN CYS 33 -18.165 10.898 -4.709 270 HA CYS 33 HA CYS 33 -19.958 11.679 -6.851 271 HB2 CYS 33 HB2 CYS 33 -17.563 11.507 -8.065 272 HB3 CYS 33 HB1 CYS 33 -18.102 12.921 -7.170 273 H LYS 34 HN LYS 34 -19.067 8.785 -5.578 274 HA LYS 34 HA LYS 34 -19.216 6.623 -6.242 275 HB2 LYS 34 HB2 LYS 34 -20.787 7.886 -8.492 276 HB3 LYS 34 HB1 LYS 34 -20.617 6.147 -8.294 277 HG2 LYS 34 HG2 LYS 34 -22.596 6.447 -7.227 278 HG3 LYS 34 HG1 LYS 34 -21.509 6.707 -5.862 279 HD2 LYS 34 HD2 LYS 34 -21.600 9.150 -6.334 280 HD3 LYS 34 HD1 LYS 34 -22.811 8.819 -7.574 281 HE2 LYS 34 HE2 LYS 34 -24.337 7.955 -5.942 282 HE3 LYS 34 HE1 LYS 34 -23.112 8.045 -4.678 283 HZ1 LYS 34 HZ1 LYS 34 -24.557 9.896 -4.435 284 HZ2 LYS 34 HZ2 LYS 34 -24.425 10.313 -6.069 285 HZ3 LYS 34 HZ3 LYS 34 -23.093 10.493 -5.041 286 H GLN 35 HN GLN 35 -16.957 8.305 -7.165 287 HA GLN 35 HA GLN 35 -16.213 7.309 -9.758 288 HB2 GLN 35 HB2 GLN 35 -14.413 8.586 -7.694 289 HB3 GLN 35 HB1 GLN 35 -14.138 8.480 -9.429 290 HG2 GLN 35 HG2 GLN 35 -16.630 9.811 -8.712 291 HG3 GLN 35 HG1 GLN 35 -15.191 10.622 -8.101 292 HE21 GLN 35 HE21 GLN 35 -16.922 9.608 -10.938 293 HE22 GLN 35 HE22 GLN 35 -16.049 10.584 -12.067 294 H GLN 36 HN GLN 36 -15.040 5.537 -10.231 295 HA GLN 36 HA GLN 36 -14.647 3.549 -8.234 296 HB2 GLN 36 HB2 GLN 36 -13.688 3.669 -11.100 297 HB3 GLN 36 HB1 GLN 36 -13.607 2.245 -10.072 298 HG2 GLN 36 HG2 GLN 36 -15.971 2.073 -9.979 299 HG3 GLN 36 HG1 GLN 36 -16.176 3.649 -10.743 300 HE21 GLN 36 HE21 GLN 36 -13.831 1.254 -11.760 301 HE22 GLN 36 HE22 GLN 36 -14.568 0.906 -13.283 302 H LEU 37 HN LEU 37 -13.021 3.422 -6.859 303 HA LEU 37 HA LEU 37 -10.670 5.060 -7.177 304 HB2 LEU 37 HB2 LEU 37 -11.776 3.297 -5.041 305 HB3 LEU 37 HB1 LEU 37 -10.056 3.630 -5.020 306 HG LEU 37 HG LEU 37 -10.715 6.113 -5.079 307 HD11 LEU 37 HD11 LEU 37 -13.348 4.895 -4.277 308 HD12 LEU 37 HD12 LEU 37 -13.029 5.880 -5.704 309 HD13 LEU 37 HD13 LEU 37 -12.922 6.596 -4.094 310 HD21 LEU 37 HD21 LEU 37 -9.762 5.063 -3.122 311 HD22 LEU 37 HD22 LEU 37 -11.336 4.403 -2.675 312 HD23 LEU 37 HD23 LEU 37 -11.069 6.145 -2.641 313 H LEU 38 HN LEU 38 -8.716 4.447 -7.855 314 HA LEU 38 HA LEU 38 -8.370 1.852 -9.031 315 HB2 LEU 38 HB2 LEU 38 -7.376 4.168 -9.753 316 HB3 LEU 38 HB1 LEU 38 -6.136 3.802 -8.570 317 HG LEU 38 HG LEU 38 -6.454 1.523 -10.252 318 HD11 LEU 38 HD11 LEU 38 -5.919 4.063 -11.775 319 HD12 LEU 38 HD12 LEU 38 -7.419 3.140 -11.855 320 HD13 LEU 38 HD13 LEU 38 -5.909 2.418 -12.412 321 HD21 LEU 38 HD21 LEU 38 -4.082 2.063 -10.804 322 HD22 LEU 38 HD22 LEU 38 -4.430 1.981 -9.078 323 HD23 LEU 38 HD23 LEU 38 -4.259 3.548 -9.868 324 H ARG 39 HN ARG 39 -6.672 0.347 -8.426 325 HA ARG 39 HA ARG 39 -6.649 -0.417 -5.785 326 HB2 ARG 39 HB2 ARG 39 -4.877 -1.938 -6.318 327 HB3 ARG 39 HB1 ARG 39 -5.906 -1.806 -7.737 328 HG2 ARG 39 HG2 ARG 39 -4.322 -0.440 -8.863 329 HG3 ARG 39 HG1 ARG 39 -3.360 -0.240 -7.400 330 HD2 ARG 39 HD2 ARG 39 -3.312 -2.909 -7.576 331 HD3 ARG 39 HD1 ARG 39 -3.512 -2.522 -9.285 332 HE ARG 39 HE ARG 39 -1.424 -1.014 -8.006 333 HH11 ARG 39 HH11 ARG 39 -2.189 -4.017 -9.634 334 HH12 ARG 39 HH12 ARG 39 -0.551 -4.334 -10.101 335 HH21 ARG 39 HH21 ARG 39 0.736 -1.427 -8.612 336 HH22 ARG 39 HH22 ARG 39 1.132 -2.872 -9.496 337 H ARG 40 HN ARG 40 -4.578 1.876 -7.366 338 HA ARG 40 HA ARG 40 -2.501 2.081 -5.502 339 HB2 ARG 40 HB2 ARG 40 -2.509 3.024 -7.808 340 HB3 ARG 40 HB1 ARG 40 -3.641 4.255 -7.266 341 HG2 ARG 40 HG2 ARG 40 -1.883 4.911 -5.565 342 HG3 ARG 40 HG1 ARG 40 -0.772 3.887 -6.479 343 HD2 ARG 40 HD2 ARG 40 -0.479 6.072 -7.326 344 HD3 ARG 40 HD1 ARG 40 -1.443 5.215 -8.527 345 HE ARG 40 HE ARG 40 -3.078 6.619 -6.639 346 HH11 ARG 40 HH11 ARG 40 -1.123 7.041 -9.521 347 HH12 ARG 40 HH12 ARG 40 -2.012 8.423 -10.071 348 HH21 ARG 40 HH21 ARG 40 -4.245 8.434 -7.355 349 HH22 ARG 40 HH22 ARG 40 -3.792 9.211 -8.846 350 H GLU 41 HN GLU 41 -5.572 3.828 -5.762 351 HA GLU 41 HA GLU 41 -5.058 5.494 -3.491 352 HB2 GLU 41 HB2 GLU 41 -7.791 4.976 -4.637 353 HB3 GLU 41 HB1 GLU 41 -7.175 6.439 -3.879 354 HG2 GLU 41 HG2 GLU 41 -6.316 5.371 -6.560 355 HG3 GLU 41 HG1 GLU 41 -7.466 6.680 -6.300 356 H VAL 42 HN VAL 42 -6.500 2.398 -4.054 357 HA VAL 42 HA VAL 42 -7.987 2.160 -1.667 358 HB VAL 42 HB VAL 42 -6.710 -0.015 -3.346 359 HG11 VAL 42 HG11 VAL 42 -8.367 -1.506 -2.326 360 HG12 VAL 42 HG12 VAL 42 -8.897 -0.189 -1.281 361 HG13 VAL 42 HG13 VAL 42 -7.263 -0.830 -1.125 362 HG21 VAL 42 HG21 VAL 42 -8.942 -0.240 -4.343 363 HG22 VAL 42 HG22 VAL 42 -8.258 1.363 -4.623 364 HG23 VAL 42 HG23 VAL 42 -9.499 1.135 -3.389 365 H TYR 43 HN TYR 43 -4.619 1.550 -2.476 366 HA TYR 43 HA TYR 43 -3.898 0.277 -0.045 367 HB2 TYR 43 HB2 TYR 43 -2.135 1.885 -1.905 368 HB3 TYR 43 HB1 TYR 43 -1.583 0.747 -0.682 369 HD1 TYR 43 HD1 TYR 43 -3.669 -1.416 -1.240 370 HD2 TYR 43 HD2 TYR 43 -1.176 0.889 -3.802 371 HE1 TYR 43 HE1 TYR 43 -3.736 -3.216 -2.911 372 HE2 TYR 43 HE2 TYR 43 -1.238 -0.901 -5.481 373 HH TYR 43 HH TYR 43 -3.436 -3.437 -5.384 374 H ASP 44 HN ASP 44 -4.081 3.603 -1.100 375 HA ASP 44 HA ASP 44 -2.723 4.751 1.108 376 HB2 ASP 44 HB2 ASP 44 -3.474 5.737 -1.246 377 HB3 ASP 44 HB1 ASP 44 -4.870 6.262 -0.310 378 H PHE 45 HN PHE 45 -5.969 3.711 0.520 379 HA PHE 45 HA PHE 45 -7.193 4.991 2.738 380 HB2 PHE 45 HB2 PHE 45 -8.194 3.823 0.573 381 HB3 PHE 45 HB1 PHE 45 -8.273 2.431 1.646 382 HD1 PHE 45 HD1 PHE 45 -9.392 5.925 1.208 383 HD2 PHE 45 HD2 PHE 45 -9.975 2.243 3.261 384 HE1 PHE 45 HE1 PHE 45 -11.514 6.772 2.119 385 HE2 PHE 45 HE2 PHE 45 -12.098 3.085 4.177 386 HZ PHE 45 HZ PHE 45 -12.870 5.354 3.606 387 H ALA 46 HN ALA 46 -5.555 1.927 2.268 388 HA ALA 46 HA ALA 46 -6.288 0.913 4.879 389 HB1 ALA 46 HB1 ALA 46 -6.062 -0.628 3.001 390 HB2 ALA 46 HB2 ALA 46 -4.912 -1.018 4.275 391 HB3 ALA 46 HB3 ALA 46 -4.367 -0.183 2.822 392 H PHE 47 HN PHE 47 -3.780 2.867 3.572 393 HA PHE 47 HA PHE 47 -1.910 2.213 5.712 394 HB2 PHE 47 HB2 PHE 47 -1.507 2.967 3.116 395 HB3 PHE 47 HB1 PHE 47 -1.267 4.490 3.962 396 HD1 PHE 47 HD2 PHE 47 0.488 4.662 5.715 397 HD2 PHE 47 HD1 PHE 47 0.097 1.235 3.226 398 HE1 PHE 47 HE2 PHE 47 2.768 3.965 6.322 399 HE2 PHE 47 HE1 PHE 47 2.374 0.533 3.830 400 HZ PHE 47 HZ PHE 47 3.713 1.897 5.382 401 H ARG 48 HN ARG 48 -4.580 3.707 5.971 402 HA ARG 48 HA ARG 48 -3.595 5.652 7.887 403 HB2 ARG 48 HB2 ARG 48 -5.003 6.399 5.375 404 HB3 ARG 48 HB1 ARG 48 -5.530 7.204 6.845 405 HG2 ARG 48 HG2 ARG 48 -3.048 7.740 7.209 406 HG3 ARG 48 HG1 ARG 48 -2.850 7.299 5.514 407 HD2 ARG 48 HD2 ARG 48 -5.035 8.979 5.476 408 HD3 ARG 48 HD1 ARG 48 -3.992 9.700 6.701 409 HE ARG 48 HE ARG 48 -2.480 10.261 5.065 410 HH11 ARG 48 HH11 ARG 48 -4.847 8.043 3.731 411 HH12 ARG 48 HH12 ARG 48 -4.319 8.281 2.090 412 HH21 ARG 48 HH21 ARG 48 -1.806 10.556 2.893 413 HH22 ARG 48 HH22 ARG 48 -2.619 9.690 1.623 414 H ASP 49 HN ASP 49 -5.231 6.267 9.411 415 HA ASP 49 HA ASP 49 -7.118 4.152 9.858 416 HB2 ASP 49 HB2 ASP 49 -5.943 5.099 11.764 417 HB3 ASP 49 HB1 ASP 49 -6.591 6.697 11.408 418 H LEU 50 HN LEU 50 -8.337 4.493 7.910 419 HA LEU 50 HA LEU 50 -10.314 6.662 8.162 420 HB2 LEU 50 HB2 LEU 50 -9.411 5.177 5.690 421 HB3 LEU 50 HB1 LEU 50 -10.671 6.396 5.727 422 HG LEU 50 HG LEU 50 -7.802 6.947 6.489 423 HD11 LEU 50 HD11 LEU 50 -9.192 7.481 3.867 424 HD12 LEU 50 HD12 LEU 50 -7.949 6.262 4.142 425 HD13 LEU 50 HD13 LEU 50 -7.554 7.973 4.299 426 HD21 LEU 50 HD21 LEU 50 -8.485 9.290 6.160 427 HD22 LEU 50 HD22 LEU 50 -9.388 8.502 7.451 428 HD23 LEU 50 HD23 LEU 50 -10.140 8.752 5.876 429 H CYS 51 HN CYS 51 -12.508 6.088 7.425 430 HA CYS 51 HA CYS 51 -13.093 3.249 7.928 431 HB2 CYS 51 HB2 CYS 51 -15.416 4.451 8.592 432 HB3 CYS 51 HB1 CYS 51 -14.131 4.119 9.752 433 HG CYS 51 HG CYS 51 -15.460 6.978 8.930 434 H ILE 52 HN ILE 52 -14.948 2.382 6.879 435 HA ILE 52 HA ILE 52 -15.264 3.432 4.195 436 HB ILE 52 HB ILE 52 -16.339 0.909 5.465 437 HG12 ILE 52 HG12 ILE 52 -14.001 1.397 3.611 438 HG13 ILE 52 HG11 ILE 52 -13.916 0.888 5.295 439 HG21 ILE 52 HG21 ILE 52 -16.344 1.778 2.576 440 HG22 ILE 52 HG22 ILE 52 -17.755 1.629 3.624 441 HG23 ILE 52 HG23 ILE 52 -16.839 0.192 3.169 442 HD11 ILE 52 HD11 ILE 52 -13.532 -0.955 3.756 443 HD12 ILE 52 HD12 ILE 52 -15.125 -0.702 3.049 444 HD13 ILE 52 HD13 ILE 52 -14.977 -1.214 4.730 445 H VAL 53 HN VAL 53 -16.956 4.584 3.533 446 HA VAL 53 HA VAL 53 -19.185 4.989 5.373 447 HB VAL 53 HB VAL 53 -18.741 6.415 2.750 448 HG11 VAL 53 HG11 VAL 53 -20.137 8.136 3.739 449 HG12 VAL 53 HG12 VAL 53 -20.245 7.215 5.238 450 HG13 VAL 53 HG13 VAL 53 -20.974 6.583 3.762 451 HG21 VAL 53 HG21 VAL 53 -17.713 7.201 5.477 452 HG22 VAL 53 HG22 VAL 53 -17.665 8.211 4.034 453 HG23 VAL 53 HG23 VAL 53 -16.733 6.715 4.093 454 H TYR 54 HN TYR 54 -20.976 3.831 5.115 455 HA TYR 54 HA TYR 54 -21.361 2.396 2.606 456 HB2 TYR 54 HB2 TYR 54 -22.440 2.077 5.384 457 HB3 TYR 54 HB1 TYR 54 -23.277 1.332 4.022 458 HD1 TYR 54 HD2 TYR 54 -19.930 1.544 5.647 459 HD2 TYR 54 HD1 TYR 54 -22.559 -0.742 3.208 460 HE1 TYR 54 HE2 TYR 54 -18.337 -0.328 5.692 461 HE2 TYR 54 HE1 TYR 54 -20.972 -2.618 3.244 462 HH TYR 54 HH TYR 54 -18.136 -2.595 5.290 463 H ARG 55 HN ARG 55 -22.469 3.358 1.092 464 HA ARG 55 HA ARG 55 -24.445 5.385 1.672 465 HB2 ARG 55 HB2 ARG 55 -22.773 4.832 -0.485 466 HB3 ARG 55 HB1 ARG 55 -24.373 4.410 -1.081 467 HG2 ARG 55 HG2 ARG 55 -23.630 7.065 0.135 468 HG3 ARG 55 HG1 ARG 55 -23.724 6.726 -1.592 469 HD2 ARG 55 HD2 ARG 55 -26.017 6.439 0.342 470 HD3 ARG 55 HD1 ARG 55 -25.741 7.848 -0.680 471 HE ARG 55 HE ARG 55 -25.793 5.786 -2.446 472 HH11 ARG 55 HH11 ARG 55 -27.985 6.881 0.057 473 HH12 ARG 55 HH12 ARG 55 -29.406 6.333 -0.767 474 HH21 ARG 55 HH21 ARG 55 -27.670 5.043 -3.528 475 HH22 ARG 55 HH22 ARG 55 -29.229 5.275 -2.806 476 H ASP 56 HN ASP 56 -26.271 4.623 2.508 477 HA ASP 56 HA ASP 56 -28.305 3.645 2.659 478 HB2 ASP 56 HB2 ASP 56 -28.381 4.094 0.155 479 HB3 ASP 56 HB1 ASP 56 -27.879 2.421 -0.069 480 H GLY 57 HN GLY 57 -26.514 1.224 0.727 481 HA2 GLY 57 HA2 GLY 57 -26.182 -0.494 3.018 482 HA3 GLY 57 HA1 GLY 57 -27.423 -1.054 1.908 483 H ASN 58 HN ASN 58 -24.496 0.632 0.939 484 HA ASN 58 HA ASN 58 -23.358 -1.887 -0.034 485 HB2 ASN 58 HB2 ASN 58 -24.451 0.261 -1.692 486 HB3 ASN 58 HB1 ASN 58 -22.770 -0.094 -2.073 487 HD21 ASN 58 HD21 ASN 58 -25.204 -0.552 -3.621 488 HD22 ASN 58 HD22 ASN 58 -25.224 -2.245 -3.979 489 HA PRO 59 HA PRO 59 -19.628 -0.169 1.568 490 HB2 PRO 59 HB2 PRO 59 -17.803 -1.569 0.103 491 HB3 PRO 59 HB1 PRO 59 -18.739 -2.289 1.426 492 HG2 PRO 59 HG2 PRO 59 -19.191 -2.460 -1.510 493 HG3 PRO 59 HG1 PRO 59 -19.321 -3.724 -0.270 494 HD2 PRO 59 HD2 PRO 59 -21.486 -2.459 -1.277 495 HD3 PRO 59 HD1 PRO 59 -21.411 -3.054 0.394 496 H TYR 60 HN TYR 60 -18.982 1.838 1.131 497 HA TYR 60 HA TYR 60 -17.944 2.426 -1.552 498 HB2 TYR 60 HB2 TYR 60 -19.939 3.990 0.057 499 HB3 TYR 60 HB1 TYR 60 -18.855 4.822 -1.051 500 HD1 TYR 60 HD2 TYR 60 -21.576 2.333 -0.831 501 HD2 TYR 60 HD1 TYR 60 -19.213 4.761 -3.396 502 HE1 TYR 60 HE2 TYR 60 -23.113 1.859 -2.690 503 HE2 TYR 60 HE1 TYR 60 -20.744 4.297 -5.259 504 HH TYR 60 HH TYR 60 -22.368 2.704 -5.952 505 H ALA 61 HN ALA 61 -16.214 3.899 -1.607 506 HA ALA 61 HA ALA 61 -14.960 4.348 1.025 507 HB1 ALA 61 HB1 ALA 61 -13.711 2.786 -0.388 508 HB2 ALA 61 HB2 ALA 61 -12.803 4.273 -0.113 509 HB3 ALA 61 HB3 ALA 61 -13.615 4.010 -1.657 510 H VAL 62 HN VAL 62 -13.111 6.171 0.560 511 HA VAL 62 HA VAL 62 -14.588 8.463 -0.555 512 HB VAL 62 HB VAL 62 -12.370 8.744 1.460 513 HG11 VAL 62 HG11 VAL 62 -13.495 10.858 1.949 514 HG12 VAL 62 HG12 VAL 62 -14.735 10.476 0.754 515 HG13 VAL 62 HG13 VAL 62 -13.066 10.734 0.241 516 HG21 VAL 62 HG21 VAL 62 -13.951 7.266 2.534 517 HG22 VAL 62 HG22 VAL 62 -15.294 8.313 2.074 518 HG23 VAL 62 HG23 VAL 62 -14.094 8.881 3.234 519 H CYS 63 HN CYS 63 -13.731 9.249 -2.370 520 HA CYS 63 HA CYS 63 -11.215 8.333 -3.341 521 HB2 CYS 63 HB2 CYS 63 -11.654 9.866 -5.233 522 HB3 CYS 63 HB1 CYS 63 -13.025 8.817 -4.887 523 H ASP 64 HN ASP 64 -9.645 9.985 -4.269 524 HA ASP 64 HA ASP 64 -8.421 11.388 -2.160 525 HB2 ASP 64 HB2 ASP 64 -7.279 10.444 -4.199 526 HB3 ASP 64 HB1 ASP 64 -7.947 11.784 -5.123 527 H LYS 65 HN LYS 65 -10.932 12.237 -4.303 528 HA LYS 65 HA LYS 65 -10.522 15.086 -4.271 529 HB2 LYS 65 HB2 LYS 65 -13.071 13.630 -4.953 530 HB3 LYS 65 HB1 LYS 65 -12.555 15.215 -5.507 531 HG2 LYS 65 HG2 LYS 65 -11.136 14.353 -7.088 532 HG3 LYS 65 HG1 LYS 65 -10.904 12.838 -6.213 533 HD2 LYS 65 HD2 LYS 65 -12.250 12.544 -8.263 534 HD3 LYS 65 HD1 LYS 65 -13.147 12.119 -6.805 535 HE2 LYS 65 HE2 LYS 65 -14.046 14.514 -6.882 536 HE3 LYS 65 HE1 LYS 65 -13.412 14.566 -8.526 537 HZ1 LYS 65 HZ1 LYS 65 -15.716 13.944 -8.551 538 HZ2 LYS 65 HZ2 LYS 65 -15.441 12.662 -7.478 539 HZ3 LYS 65 HZ3 LYS 65 -14.787 12.619 -9.044 540 H CYS 66 HN CYS 66 -13.061 12.957 -2.954 541 HA CYS 66 HA CYS 66 -14.190 15.009 -1.337 542 HB2 CYS 66 HB2 CYS 66 -14.620 12.038 -1.074 543 HB3 CYS 66 HB1 CYS 66 -15.714 13.332 -0.595 544 H LEU 67 HN LEU 67 -11.670 12.700 -0.837 545 HA LEU 67 HA LEU 67 -11.681 12.242 1.861 546 HB2 LEU 67 HB2 LEU 67 -9.753 12.143 -0.253 547 HB3 LEU 67 HB1 LEU 67 -8.997 12.785 1.190 548 HG LEU 67 HG LEU 67 -10.510 10.178 1.094 549 HD11 LEU 67 HD11 LEU 67 -7.544 10.712 1.001 550 HD12 LEU 67 HD12 LEU 67 -8.529 10.065 -0.310 551 HD13 LEU 67 HD13 LEU 67 -8.295 9.125 1.164 552 HD21 LEU 67 HD21 LEU 67 -10.449 11.197 3.307 553 HD22 LEU 67 HD22 LEU 67 -8.703 11.392 3.183 554 HD23 LEU 67 HD23 LEU 67 -9.405 9.776 3.255 555 H LYS 68 HN LYS 68 -10.267 15.065 0.241 556 HA LYS 68 HA LYS 68 -9.457 16.255 2.726 557 HB2 LYS 68 HB2 LYS 68 -8.868 18.211 1.325 558 HB3 LYS 68 HB1 LYS 68 -8.125 16.709 0.808 559 HG2 LYS 68 HG2 LYS 68 -10.130 16.581 -0.831 560 HG3 LYS 68 HG1 LYS 68 -10.262 18.314 -0.505 561 HD2 LYS 68 HD2 LYS 68 -7.629 18.177 -0.922 562 HD3 LYS 68 HD1 LYS 68 -8.124 16.796 -1.902 563 HE2 LYS 68 HE2 LYS 68 -8.298 18.410 -3.480 564 HE3 LYS 68 HE1 LYS 68 -9.905 18.576 -2.779 565 HZ1 LYS 68 HZ1 LYS 68 -8.691 20.698 -3.105 566 HZ2 LYS 68 HZ2 LYS 68 -7.567 20.204 -1.944 567 HZ3 LYS 68 HZ3 LYS 68 -9.184 20.436 -1.512 568 H PHE 69 HN PHE 69 -12.311 16.344 0.786 569 HA PHE 69 HA PHE 69 -13.228 18.874 1.765 570 HB2 PHE 69 HB2 PHE 69 -14.411 16.724 0.061 571 HB3 PHE 69 HB1 PHE 69 -15.477 17.913 0.797 572 HD1 PHE 69 HD2 PHE 69 -15.147 20.341 0.297 573 HD2 PHE 69 HD1 PHE 69 -13.109 17.273 -1.830 574 HE1 PHE 69 HE2 PHE 69 -14.650 21.927 -1.513 575 HE2 PHE 69 HE1 PHE 69 -12.608 18.856 -3.647 576 HZ PHE 69 HZ PHE 69 -13.381 21.188 -3.489 577 H TYR 70 HN TYR 70 -14.141 15.495 2.465 578 HA TYR 70 HA TYR 70 -15.485 16.494 4.899 579 HB2 TYR 70 HB2 TYR 70 -16.318 14.251 3.047 580 HB3 TYR 70 HB1 TYR 70 -17.055 14.544 4.619 581 HD1 TYR 70 HD2 TYR 70 -17.880 17.059 4.958 582 HD2 TYR 70 HD1 TYR 70 -17.351 15.153 1.193 583 HE1 TYR 70 HE2 TYR 70 -19.425 18.669 3.931 584 HE2 TYR 70 HE1 TYR 70 -18.894 16.760 0.157 585 HH TYR 70 HH TYR 70 -20.919 18.246 1.132 586 H MET 1 HT1 MET 1 26.344 6.403 -0.067 587 HA MET 1 HA MET 1 24.776 4.001 -0.789 588 HB2 MET 1 HB2 MET 1 27.292 4.703 -1.624 589 HB3 MET 1 HB1 MET 1 27.646 3.785 -0.169 590 HG2 MET 1 HG2 MET 1 25.761 2.651 -2.175 591 HG3 MET 1 HG1 MET 1 27.490 2.610 -2.501 592 HE1 MET 1 HE1 MET 1 29.174 1.063 -1.371 593 HE2 MET 1 HE2 MET 1 28.920 0.286 0.191 594 HE3 MET 1 HE3 MET 1 28.974 2.045 0.080 595 H PHE 2 HN PHE 2 25.386 2.174 0.791 596 HA PHE 2 HA PHE 2 24.945 3.240 3.455 597 HB2 PHE 2 HB2 PHE 2 23.903 1.074 2.158 598 HB3 PHE 2 HB1 PHE 2 25.133 0.323 3.173 599 HD1 PHE 2 HD1 PHE 2 24.993 0.455 5.599 600 HD2 PHE 2 HD2 PHE 2 21.973 2.128 3.113 601 HE1 PHE 2 HE1 PHE 2 23.488 0.619 7.539 602 HE2 PHE 2 HE2 PHE 2 20.466 2.292 5.047 603 HZ PHE 2 HZ PHE 2 21.221 1.538 7.265 604 H GLN 3 HN GLN 3 26.273 3.069 5.143 605 HA GLN 3 HA GLN 3 29.054 2.795 4.687 606 HB2 GLN 3 HB2 GLN 3 29.238 3.126 7.140 607 HB3 GLN 3 HB1 GLN 3 28.247 4.341 6.344 608 HG2 GLN 3 HG2 GLN 3 26.243 3.372 7.159 609 HG3 GLN 3 HG1 GLN 3 27.094 1.929 7.713 610 HE21 GLN 3 HE21 GLN 3 28.339 2.031 9.576 611 HE22 GLN 3 HE22 GLN 3 28.173 3.313 10.723 612 H ASP 4 HN ASP 4 30.452 1.469 6.113 613 HA ASP 4 HA ASP 4 29.657 -1.325 5.952 614 HB2 ASP 4 HB2 ASP 4 32.112 0.170 5.779 615 HB3 ASP 4 HB1 ASP 4 32.266 -1.057 7.032 616 HA PRO 5 HA PRO 5 31.164 -2.978 6.918 617 HB2 PRO 5 HB2 PRO 5 30.776 -5.093 8.760 618 HB3 PRO 5 HB1 PRO 5 32.272 -4.183 8.496 619 HG2 PRO 5 HG2 PRO 5 30.733 -4.171 10.818 620 HG3 PRO 5 HG1 PRO 5 32.022 -3.029 10.399 621 HD2 PRO 5 HD2 PRO 5 29.071 -2.707 10.176 622 HD3 PRO 5 HD1 PRO 5 30.324 -1.500 10.544 623 H GLN 6 HN GLN 6 28.964 -4.848 8.930 624 HA GLN 6 HA GLN 6 27.299 -5.299 6.549 625 HB2 GLN 6 HB2 GLN 6 28.624 -7.244 7.575 626 HB3 GLN 6 HB1 GLN 6 27.480 -7.162 8.909 627 HG2 GLN 6 HG2 GLN 6 25.668 -7.753 7.526 628 HG3 GLN 6 HG1 GLN 6 26.600 -7.473 6.057 629 HE21 GLN 6 HE21 GLN 6 26.091 -9.611 8.762 630 HE22 GLN 6 HE22 GLN 6 26.852 -10.993 8.059 631 H GLU 7 HN GLU 7 27.123 -3.190 8.647 632 HA GLU 7 HA GLU 7 24.762 -3.766 10.184 633 HB2 GLU 7 HB2 GLU 7 26.746 -1.651 10.013 634 HB3 GLU 7 HB1 GLU 7 25.120 -0.993 10.113 635 HG2 GLU 7 HG2 GLU 7 26.173 -1.233 12.306 636 HG3 GLU 7 HG1 GLU 7 24.708 -2.202 12.156 637 H ARG 8 HN ARG 8 23.994 -4.413 7.776 638 HA ARG 8 HA ARG 8 22.402 -2.144 6.775 639 HB2 ARG 8 HB2 ARG 8 23.360 -4.489 5.128 640 HB3 ARG 8 HB1 ARG 8 22.604 -3.011 4.548 641 HG2 ARG 8 HG2 ARG 8 24.528 -1.721 5.034 642 HG3 ARG 8 HG1 ARG 8 25.255 -3.029 5.965 643 HD2 ARG 8 HD2 ARG 8 25.131 -4.346 3.732 644 HD3 ARG 8 HD1 ARG 8 24.965 -2.751 2.998 645 HE ARG 8 HE ARG 8 27.289 -3.715 4.528 646 HH11 ARG 8 HH11 ARG 8 25.866 -1.432 2.284 647 HH12 ARG 8 HH12 ARG 8 27.357 -0.601 1.993 648 HH21 ARG 8 HH21 ARG 8 29.252 -2.651 4.119 649 HH22 ARG 8 HH22 ARG 8 29.292 -1.310 3.022 650 HA PRO 9 HA PRO 9 19.301 -5.048 8.426 651 HB2 PRO 9 HB2 PRO 9 17.556 -2.715 7.912 652 HB3 PRO 9 HB1 PRO 9 17.807 -3.627 9.411 653 HG2 PRO 9 HG2 PRO 9 18.771 -1.168 9.116 654 HG3 PRO 9 HG1 PRO 9 19.658 -2.420 10.010 655 HD2 PRO 9 HD2 PRO 9 20.122 -1.396 7.241 656 HD3 PRO 9 HD1 PRO 9 21.300 -1.839 8.494 657 H ARG 10 HN ARG 10 17.525 -6.113 7.549 658 HA ARG 10 HA ARG 10 17.251 -5.824 4.639 659 HB2 ARG 10 HB2 ARG 10 16.667 -8.134 6.495 660 HB3 ARG 10 HB1 ARG 10 16.210 -8.122 4.798 661 HG2 ARG 10 HG2 ARG 10 18.980 -8.089 5.961 662 HG3 ARG 10 HG1 ARG 10 18.227 -9.339 4.967 663 HD2 ARG 10 HD2 ARG 10 18.026 -7.498 3.179 664 HD3 ARG 10 HD1 ARG 10 19.210 -6.625 4.150 665 HE ARG 10 HE ARG 10 19.640 -9.100 2.659 666 HH11 ARG 10 HH11 ARG 10 20.949 -6.626 4.778 667 HH12 ARG 10 HH12 ARG 10 22.597 -7.030 4.422 668 HH21 ARG 10 HH21 ARG 10 21.804 -9.620 2.205 669 HH22 ARG 10 HH22 ARG 10 23.078 -8.736 2.979 670 H LYS 11 HN LYS 11 15.718 -4.748 7.287 671 HA LYS 11 HA LYS 11 13.031 -5.110 6.155 672 HB2 LYS 11 HB2 LYS 11 14.005 -4.568 8.942 673 HB3 LYS 11 HB1 LYS 11 12.369 -4.117 8.480 674 HG2 LYS 11 HG2 LYS 11 13.557 -6.884 8.410 675 HG3 LYS 11 HG1 LYS 11 12.359 -6.274 9.553 676 HD2 LYS 11 HD2 LYS 11 10.855 -5.852 7.569 677 HD3 LYS 11 HD1 LYS 11 12.019 -6.757 6.599 678 HE2 LYS 11 HE2 LYS 11 11.733 -8.615 8.336 679 HE3 LYS 11 HE1 LYS 11 10.305 -7.726 8.865 680 HZ1 LYS 11 HZ1 LYS 11 10.341 -8.067 6.031 681 HZ2 LYS 11 HZ2 LYS 11 9.141 -8.495 7.154 682 HZ3 LYS 11 HZ3 LYS 11 10.426 -9.553 6.835 683 H LEU 12 HN LEU 12 12.011 -3.455 5.279 684 HA LEU 12 HA LEU 12 13.239 -1.074 4.632 685 HB2 LEU 12 HB2 LEU 12 11.357 -1.956 3.398 686 HB3 LEU 12 HB1 LEU 12 10.297 -1.702 4.768 687 HG LEU 12 HG LEU 12 10.605 0.737 4.549 688 HD11 LEU 12 HD11 LEU 12 12.191 0.020 2.087 689 HD12 LEU 12 HD12 LEU 12 12.828 0.754 3.558 690 HD13 LEU 12 HD13 LEU 12 11.684 1.642 2.552 691 HD21 LEU 12 HD21 LEU 12 9.768 -0.515 1.940 692 HD22 LEU 12 HD22 LEU 12 9.222 1.016 2.623 693 HD23 LEU 12 HD23 LEU 12 8.770 -0.502 3.395 694 HA PRO 13 HA PRO 13 10.636 1.177 8.148 695 HB2 PRO 13 HB2 PRO 13 10.381 -0.507 10.373 696 HB3 PRO 13 HB1 PRO 13 9.077 -0.050 9.264 697 HG2 PRO 13 HG2 PRO 13 10.706 -2.526 9.338 698 HG3 PRO 13 HG1 PRO 13 8.994 -2.304 8.922 699 HD2 PRO 13 HD2 PRO 13 10.838 -2.715 7.028 700 HD3 PRO 13 HD1 PRO 13 9.467 -1.617 6.765 701 H GLN 14 HN GLN 14 12.865 -1.422 9.104 702 HA GLN 14 HA GLN 14 14.200 0.128 11.086 703 HB2 GLN 14 HB2 GLN 14 14.100 -2.394 11.003 704 HB3 GLN 14 HB1 GLN 14 15.257 -2.326 9.681 705 HG2 GLN 14 HG2 GLN 14 16.935 -1.404 11.083 706 HG3 GLN 14 HG1 GLN 14 15.784 -1.133 12.387 707 HE21 GLN 14 HE21 GLN 14 15.870 -4.045 10.453 708 HE22 GLN 14 HE22 GLN 14 16.408 -5.094 11.714 709 H LEU 15 HN LEU 15 14.757 -0.553 7.681 710 HA LEU 15 HA LEU 15 17.355 0.502 7.476 711 HB2 LEU 15 HB2 LEU 15 16.199 -0.876 5.745 712 HB3 LEU 15 HB1 LEU 15 15.194 0.511 5.364 713 HG LEU 15 HG LEU 15 17.311 1.757 4.784 714 HD11 LEU 15 HD11 LEU 15 18.925 0.437 5.963 715 HD12 LEU 15 HD12 LEU 15 19.268 0.335 4.236 716 HD13 LEU 15 HD13 LEU 15 18.470 -1.007 5.056 717 HD21 LEU 15 HD21 LEU 15 15.729 0.547 3.174 718 HD22 LEU 15 HD22 LEU 15 16.982 -0.692 3.088 719 HD23 LEU 15 HD23 LEU 15 17.340 0.962 2.592 720 H CYS 16 HN CYS 16 14.169 2.006 7.180 721 HA CYS 16 HA CYS 16 15.041 4.550 6.370 722 HB2 CYS 16 HB2 CYS 16 12.604 3.896 8.033 723 HB3 CYS 16 HB1 CYS 16 12.852 5.339 7.055 724 HG CYS 16 HG CYS 16 12.596 2.164 5.791 725 H THR 17 HN THR 17 14.742 3.056 9.530 726 HA THR 17 HA THR 17 15.103 5.396 11.078 727 HB THR 17 HB THR 17 15.972 2.672 12.006 728 HG1 THR 17 HG1 THR 17 13.445 3.480 11.165 729 HG21 THR 17 HG21 THR 17 15.129 3.422 14.133 730 HG22 THR 17 HG22 THR 17 14.436 4.868 13.399 731 HG23 THR 17 HG23 THR 17 16.187 4.676 13.484 732 H GLU 18 HN GLU 18 17.334 3.046 9.685 733 HA GLU 18 HA GLU 18 19.658 4.031 10.989 734 HB2 GLU 18 HB2 GLU 18 19.227 2.298 8.565 735 HB3 GLU 18 HB1 GLU 18 20.839 2.794 9.067 736 HG2 GLU 18 HG2 GLU 18 18.868 1.159 10.646 737 HG3 GLU 18 HG1 GLU 18 20.396 0.621 9.950 738 H LEU 19 HN LEU 19 17.988 4.857 8.043 739 HA LEU 19 HA LEU 19 20.101 6.612 7.137 740 HB2 LEU 19 HB2 LEU 19 17.347 5.977 6.112 741 HB3 LEU 19 HB1 LEU 19 18.330 7.245 5.406 742 HG LEU 19 HG LEU 19 19.150 4.342 5.568 743 HD11 LEU 19 HD11 LEU 19 17.259 4.578 4.078 744 HD12 LEU 19 HD12 LEU 19 18.732 4.315 3.142 745 HD13 LEU 19 HD13 LEU 19 18.039 5.934 3.261 746 HD21 LEU 19 HD21 LEU 19 20.841 5.098 3.874 747 HD22 LEU 19 HD22 LEU 19 21.080 5.730 5.503 748 HD23 LEU 19 HD23 LEU 19 20.377 6.757 4.254 749 H GLN 20 HN GLN 20 17.913 6.818 9.523 750 HA GLN 20 HA GLN 20 17.026 8.473 10.787 751 HB2 GLN 20 HB2 GLN 20 19.068 10.123 9.295 752 HB3 GLN 20 HB1 GLN 20 18.131 10.715 10.661 753 HG2 GLN 20 HG2 GLN 20 19.132 9.093 12.121 754 HG3 GLN 20 HG1 GLN 20 19.966 8.332 10.765 755 HE21 GLN 20 HE21 GLN 20 20.975 9.603 13.244 756 HE22 GLN 20 HE22 GLN 20 22.100 10.802 12.712 757 H THR 21 HN THR 21 15.615 7.807 8.456 758 HA THR 21 HA THR 21 14.183 10.318 8.055 759 HB THR 21 HB THR 21 15.761 10.045 6.124 760 HG1 THR 21 HG1 THR 21 14.210 10.677 4.663 761 HG21 THR 21 HG21 THR 21 14.033 7.649 5.488 762 HG22 THR 21 HG22 THR 21 15.730 7.598 5.968 763 HG23 THR 21 HG23 THR 21 15.268 8.339 4.436 764 H THR 22 HN THR 22 12.219 9.533 6.368 765 HA THR 22 HA THR 22 10.951 7.325 7.855 766 HB THR 22 HB THR 22 8.787 8.342 7.111 767 HG1 THR 22 HG1 THR 22 9.716 10.824 6.642 768 HG21 THR 22 HG21 THR 22 10.607 10.119 8.742 769 HG22 THR 22 HG22 THR 22 9.626 8.788 9.351 770 HG23 THR 22 HG23 THR 22 8.848 10.230 8.700 771 H ILE 23 HN ILE 23 9.210 6.208 6.548 772 HA ILE 23 HA ILE 23 10.356 4.993 4.270 773 HB ILE 23 HB ILE 23 7.445 4.910 5.086 774 HG12 ILE 23 HG12 ILE 23 9.684 3.105 6.028 775 HG13 ILE 23 HG11 ILE 23 8.989 4.406 6.987 776 HG21 ILE 23 HG21 ILE 23 7.524 2.652 4.081 777 HG22 ILE 23 HG22 ILE 23 9.173 2.976 3.549 778 HG23 ILE 23 HG23 ILE 23 7.838 3.938 2.916 779 HD11 ILE 23 HD11 ILE 23 8.109 2.196 7.589 780 HD12 ILE 23 HD12 ILE 23 7.468 2.022 5.956 781 HD13 ILE 23 HD13 ILE 23 6.850 3.288 7.017 782 H HIS 24 HN HIS 24 8.615 7.868 4.671 783 HA HIS 24 HA HIS 24 7.506 7.933 1.993 784 HB2 HIS 24 HB2 HIS 24 7.534 10.132 4.066 785 HB3 HIS 24 HB1 HIS 24 6.513 10.035 2.636 786 HD1 HIS 24 HD1 HIS 24 5.497 10.248 5.666 787 HD2 HIS 24 HD2 HIS 24 5.631 6.821 3.318 788 HE1 HIS 24 HE1 HIS 24 3.790 8.655 6.634 789 H ASP 25 HN ASP 25 10.506 8.522 3.297 790 HA ASP 25 HA ASP 25 11.120 10.491 1.188 791 HB2 ASP 25 HB2 ASP 25 11.229 11.625 3.310 792 HB3 ASP 25 HB1 ASP 25 12.227 10.350 3.993 793 H ILE 26 HN ILE 26 12.155 7.676 2.974 794 HA ILE 26 HA ILE 26 14.765 7.351 2.255 795 HB ILE 26 HB ILE 26 13.655 5.810 3.754 796 HG12 ILE 26 HG12 ILE 26 14.682 4.315 1.332 797 HG13 ILE 26 HG11 ILE 26 15.710 5.100 2.527 798 HG21 ILE 26 HG21 ILE 26 12.232 4.712 1.330 799 HG22 ILE 26 HG22 ILE 26 11.493 5.687 2.599 800 HG23 ILE 26 HG23 ILE 26 12.130 4.087 2.976 801 HD11 ILE 26 HD11 ILE 26 13.820 2.816 3.033 802 HD12 ILE 26 HD12 ILE 26 14.812 3.616 4.253 803 HD13 ILE 26 HD13 ILE 26 15.579 2.726 2.938 804 H ILE 27 HN ILE 27 15.909 6.959 0.497 805 HA ILE 27 HA ILE 27 14.584 6.757 -2.074 806 HB ILE 27 HB ILE 27 17.550 6.798 -1.460 807 HG12 ILE 27 HG12 ILE 27 16.439 8.837 -0.642 808 HG13 ILE 27 HG11 ILE 27 17.483 9.182 -2.014 809 HG21 ILE 27 HG21 ILE 27 17.036 5.886 -3.653 810 HG22 ILE 27 HG22 ILE 27 17.795 7.470 -3.806 811 HG23 ILE 27 HG23 ILE 27 16.054 7.304 -4.031 812 HD11 ILE 27 HD11 ILE 27 14.483 8.940 -2.063 813 HD12 ILE 27 HD12 ILE 27 15.502 9.211 -3.477 814 HD13 ILE 27 HD13 ILE 27 15.429 10.422 -2.197 815 H LEU 28 HN LEU 28 14.247 4.875 -3.115 816 HA LEU 28 HA LEU 28 15.929 2.579 -2.439 817 HB2 LEU 28 HB2 LEU 28 13.372 2.877 -1.455 818 HB3 LEU 28 HB1 LEU 28 13.124 1.887 -2.880 819 HG LEU 28 HG LEU 28 14.583 0.170 -2.026 820 HD11 LEU 28 HD11 LEU 28 16.315 1.352 -0.946 821 HD12 LEU 28 HD12 LEU 28 15.502 0.438 0.323 822 HD13 LEU 28 HD13 LEU 28 15.188 2.163 0.142 823 HD21 LEU 28 HD21 LEU 28 12.679 1.164 0.088 824 HD22 LEU 28 HD22 LEU 28 13.362 -0.460 0.012 825 HD23 LEU 28 HD23 LEU 28 12.283 0.103 -1.264 826 H GLU 29 HN GLU 29 16.457 1.330 -4.127 827 HA GLU 29 HA GLU 29 15.282 2.009 -6.745 828 HB2 GLU 29 HB2 GLU 29 17.963 0.700 -6.435 829 HB3 GLU 29 HB1 GLU 29 17.364 1.695 -7.754 830 HG2 GLU 29 HG2 GLU 29 17.671 2.983 -5.104 831 HG3 GLU 29 HG1 GLU 29 19.138 2.571 -5.990 832 H CYS 30 HN CYS 30 15.237 0.197 -8.313 833 HA CYS 30 HA CYS 30 14.226 -2.192 -7.069 834 HB2 CYS 30 HB2 CYS 30 13.218 -1.259 -9.131 835 HB3 CYS 30 HB1 CYS 30 14.708 -1.605 -9.999 836 H VAL 31 HN VAL 31 15.101 -4.224 -7.095 837 HA VAL 31 HA VAL 31 17.967 -4.344 -7.263 838 HB VAL 31 HB VAL 31 16.703 -5.489 -5.465 839 HG11 VAL 31 HG11 VAL 31 15.801 -7.311 -7.686 840 HG12 VAL 31 HG12 VAL 31 14.785 -6.271 -6.687 841 HG13 VAL 31 HG13 VAL 31 15.616 -7.650 -5.965 842 HG21 VAL 31 HG21 VAL 31 17.974 -7.618 -5.551 843 HG22 VAL 31 HG22 VAL 31 18.958 -6.196 -5.897 844 HG23 VAL 31 HG23 VAL 31 18.422 -7.241 -7.214 845 H TYR 32 HN TYR 32 15.339 -5.117 -9.345 846 HA TYR 32 HA TYR 32 17.132 -6.706 -11.047 847 HB2 TYR 32 HB2 TYR 32 14.164 -6.656 -10.712 848 HB3 TYR 32 HB1 TYR 32 14.842 -7.159 -12.261 849 HD1 TYR 32 HD2 TYR 32 16.701 -8.980 -12.143 850 HD2 TYR 32 HD1 TYR 32 13.911 -8.240 -9.016 851 HE1 TYR 32 HE2 TYR 32 17.131 -11.221 -11.243 852 HE2 TYR 32 HE1 TYR 32 14.340 -10.484 -8.104 853 HH TYR 32 HH TYR 32 15.185 -12.629 -8.788 854 H CYS 33 HN CYS 33 14.765 -4.063 -11.197 855 HA CYS 33 HA CYS 33 15.540 -3.422 -13.905 856 HB2 CYS 33 HB2 CYS 33 13.797 -1.782 -12.066 857 HB3 CYS 33 HB1 CYS 33 13.812 -1.782 -13.828 858 H LYS 34 HN LYS 34 16.417 -2.503 -10.724 859 HA LYS 34 HA LYS 34 17.940 -1.093 -9.837 860 HB2 LYS 34 HB2 LYS 34 18.986 -1.329 -12.637 861 HB3 LYS 34 HB1 LYS 34 19.779 -0.286 -11.466 862 HG2 LYS 34 HG2 LYS 34 20.897 -2.037 -10.710 863 HG3 LYS 34 HG1 LYS 34 19.377 -2.752 -10.181 864 HD2 LYS 34 HD2 LYS 34 20.008 -4.423 -11.562 865 HD3 LYS 34 HD1 LYS 34 19.293 -3.382 -12.794 866 HE2 LYS 34 HE2 LYS 34 22.209 -3.349 -12.025 867 HE3 LYS 34 HE1 LYS 34 21.554 -4.277 -13.372 868 HZ1 LYS 34 HZ1 LYS 34 21.634 -1.332 -13.066 869 HZ2 LYS 34 HZ2 LYS 34 20.702 -2.107 -14.249 870 HZ3 LYS 34 HZ3 LYS 34 22.383 -2.276 -14.253 871 H GLN 35 HN GLN 35 15.454 -0.029 -11.047 872 HA GLN 35 HA GLN 35 16.294 2.738 -11.582 873 HB2 GLN 35 HB2 GLN 35 14.152 3.101 -12.589 874 HB3 GLN 35 HB1 GLN 35 14.796 1.607 -13.254 875 HG2 GLN 35 HG2 GLN 35 13.365 0.299 -11.836 876 HG3 GLN 35 HG1 GLN 35 12.795 1.747 -11.008 877 HE21 GLN 35 HE21 GLN 35 12.639 3.304 -13.465 878 HE22 GLN 35 HE22 GLN 35 11.254 2.722 -14.316 879 H GLN 36 HN GLN 36 14.710 4.409 -10.670 880 HA GLN 36 HA GLN 36 14.640 4.098 -7.840 881 HB2 GLN 36 HB2 GLN 36 13.337 6.228 -9.546 882 HB3 GLN 36 HB1 GLN 36 13.643 6.327 -7.817 883 HG2 GLN 36 HG2 GLN 36 16.115 5.753 -8.935 884 HG3 GLN 36 HG1 GLN 36 15.382 6.918 -10.037 885 HE21 GLN 36 HE21 GLN 36 16.528 6.335 -6.808 886 HE22 GLN 36 HE22 GLN 36 16.578 8.007 -6.323 887 H LEU 37 HN LEU 37 13.044 3.459 -6.537 888 HA LEU 37 HA LEU 37 10.657 2.337 -7.702 889 HB2 LEU 37 HB2 LEU 37 12.147 2.023 -5.292 890 HB3 LEU 37 HB1 LEU 37 10.501 2.441 -4.857 891 HG LEU 37 HG LEU 37 9.768 0.549 -6.398 892 HD11 LEU 37 HD11 LEU 37 11.428 -1.212 -6.780 893 HD12 LEU 37 HD12 LEU 37 12.687 -0.152 -6.142 894 HD13 LEU 37 HD13 LEU 37 11.840 0.279 -7.627 895 HD21 LEU 37 HD21 LEU 37 10.238 -1.162 -4.673 896 HD22 LEU 37 HD22 LEU 37 9.633 0.352 -4.003 897 HD23 LEU 37 HD23 LEU 37 11.350 -0.031 -3.902 898 H LEU 38 HN LEU 38 8.618 3.140 -7.629 899 HA LEU 38 HA LEU 38 8.238 5.906 -7.140 900 HB2 LEU 38 HB2 LEU 38 6.330 3.633 -7.661 901 HB3 LEU 38 HB1 LEU 38 5.766 5.267 -7.369 902 HG LEU 38 HG LEU 38 7.667 4.548 -9.595 903 HD11 LEU 38 HD11 LEU 38 4.670 4.864 -9.681 904 HD12 LEU 38 HD12 LEU 38 5.572 3.372 -9.940 905 HD13 LEU 38 HD13 LEU 38 5.725 4.705 -11.084 906 HD21 LEU 38 HD21 LEU 38 7.625 6.903 -8.780 907 HD22 LEU 38 HD22 LEU 38 5.920 6.975 -9.221 908 HD23 LEU 38 HD23 LEU 38 7.143 6.711 -10.462 909 H ARG 39 HN ARG 39 7.191 6.947 -5.453 910 HA ARG 39 HA ARG 39 7.622 5.977 -2.886 911 HB2 ARG 39 HB2 ARG 39 7.259 8.378 -3.604 912 HB3 ARG 39 HB1 ARG 39 5.537 8.037 -3.589 913 HG2 ARG 39 HG2 ARG 39 6.372 9.151 -1.539 914 HG3 ARG 39 HG1 ARG 39 5.572 7.609 -1.240 915 HD2 ARG 39 HD2 ARG 39 7.645 7.923 0.079 916 HD3 ARG 39 HD1 ARG 39 7.684 6.501 -0.958 917 HE ARG 39 HE ARG 39 8.847 8.772 -2.236 918 HH11 ARG 39 HH11 ARG 39 9.460 6.307 0.175 919 HH12 ARG 39 HH12 ARG 39 11.183 6.331 -0.055 920 HH21 ARG 39 HH21 ARG 39 11.133 8.819 -2.512 921 HH22 ARG 39 HH22 ARG 39 12.126 7.756 -1.564 922 H ARG 40 HN ARG 40 4.766 5.790 -4.919 923 HA ARG 40 HA ARG 40 2.978 4.852 -2.954 924 HB2 ARG 40 HB2 ARG 40 2.979 4.435 -5.947 925 HB3 ARG 40 HB1 ARG 40 1.635 4.035 -4.885 926 HG2 ARG 40 HG2 ARG 40 2.629 6.779 -4.618 927 HG3 ARG 40 HG1 ARG 40 1.930 6.395 -6.187 928 HD2 ARG 40 HD2 ARG 40 0.383 7.328 -4.364 929 HD3 ARG 40 HD1 ARG 40 -0.164 5.930 -5.284 930 HE ARG 40 HE ARG 40 0.742 4.625 -3.274 931 HH11 ARG 40 HH11 ARG 40 -0.738 7.799 -3.079 932 HH12 ARG 40 HH12 ARG 40 -1.270 7.579 -1.439 933 HH21 ARG 40 HH21 ARG 40 0.013 4.354 -1.121 934 HH22 ARG 40 HH22 ARG 40 -0.847 5.652 -0.337 935 H GLU 41 HN GLU 41 5.237 3.187 -5.090 936 HA GLU 41 HA GLU 41 4.378 0.560 -4.442 937 HB2 GLU 41 HB2 GLU 41 6.748 1.752 -5.803 938 HB3 GLU 41 HB1 GLU 41 6.883 0.097 -5.222 939 HG2 GLU 41 HG2 GLU 41 6.155 0.401 -7.619 940 HG3 GLU 41 HG1 GLU 41 5.154 -0.650 -6.620 941 H VAL 42 HN VAL 42 6.670 2.800 -3.049 942 HA VAL 42 HA VAL 42 7.979 1.019 -1.308 943 HB VAL 42 HB VAL 42 7.441 3.955 -0.793 944 HG11 VAL 42 HG11 VAL 42 9.478 3.863 0.547 945 HG12 VAL 42 HG12 VAL 42 9.644 2.143 0.195 946 HG13 VAL 42 HG13 VAL 42 8.277 2.719 1.149 947 HG21 VAL 42 HG21 VAL 42 8.448 3.655 -2.993 948 HG22 VAL 42 HG22 VAL 42 9.724 2.663 -2.285 949 HG23 VAL 42 HG23 VAL 42 9.604 4.374 -1.870 950 H TYR 43 HN TYR 43 4.948 2.765 -1.100 951 HA TYR 43 HA TYR 43 4.371 2.325 1.622 952 HB2 TYR 43 HB2 TYR 43 2.715 2.902 -0.804 953 HB3 TYR 43 HB1 TYR 43 1.906 2.397 0.673 954 HD1 TYR 43 HD1 TYR 43 2.054 3.815 2.704 955 HD2 TYR 43 HD2 TYR 43 3.618 5.096 -1.034 956 HE1 TYR 43 HE1 TYR 43 2.079 6.135 3.516 957 HE2 TYR 43 HE2 TYR 43 3.650 7.421 -0.234 958 HH TYR 43 HH TYR 43 3.192 8.236 3.059 959 H ASP 44 HN ASP 44 3.740 0.407 -1.279 960 HA ASP 44 HA ASP 44 2.216 -1.614 -0.004 961 HB2 ASP 44 HB2 ASP 44 2.008 -1.435 -2.369 962 HB3 ASP 44 HB1 ASP 44 3.749 -1.536 -2.604 963 H PHE 45 HN PHE 45 5.633 -1.211 -0.715 964 HA PHE 45 HA PHE 45 6.528 -3.740 0.107 965 HB2 PHE 45 HB2 PHE 45 7.748 -1.676 -1.063 966 HB3 PHE 45 HB1 PHE 45 8.259 -1.360 0.591 967 HD1 PHE 45 HD1 PHE 45 8.334 -3.848 -2.133 968 HD2 PHE 45 HD2 PHE 45 9.948 -2.661 1.621 969 HE1 PHE 45 HE1 PHE 45 10.128 -5.514 -2.382 970 HE2 PHE 45 HE2 PHE 45 11.745 -4.326 1.380 971 HZ PHE 45 HZ PHE 45 11.835 -5.754 -0.626 972 H ALA 46 HN ALA 46 5.769 -0.827 1.884 973 HA ALA 46 HA ALA 46 6.788 -1.867 4.387 974 HB1 ALA 46 HB1 ALA 46 5.985 0.222 5.352 975 HB2 ALA 46 HB2 ALA 46 5.192 0.633 3.832 976 HB3 ALA 46 HB3 ALA 46 6.951 0.526 3.911 977 H PHE 47 HN PHE 47 3.913 -2.068 2.591 978 HA PHE 47 HA PHE 47 2.181 -2.453 4.878 979 HB2 PHE 47 HB2 PHE 47 1.430 -1.406 2.688 980 HB3 PHE 47 HB1 PHE 47 1.525 -3.019 1.984 981 HD1 PHE 47 HD1 PHE 47 -0.100 -1.058 4.679 982 HD2 PHE 47 HD2 PHE 47 -0.250 -4.518 2.204 983 HE1 PHE 47 HE1 PHE 47 -2.371 -1.538 5.496 984 HE2 PHE 47 HE2 PHE 47 -2.519 -5.004 3.018 985 HZ PHE 47 HZ PHE 47 -3.582 -3.514 4.664 986 H ARG 48 HN ARG 48 3.279 -4.446 2.135 987 HA ARG 48 HA ARG 48 2.462 -6.857 3.526 988 HB2 ARG 48 HB2 ARG 48 3.790 -6.424 0.843 989 HB3 ARG 48 HB1 ARG 48 3.359 -8.005 1.482 990 HG2 ARG 48 HG2 ARG 48 0.992 -7.261 1.585 991 HG3 ARG 48 HG1 ARG 48 1.476 -5.756 0.800 992 HD2 ARG 48 HD2 ARG 48 2.030 -8.454 -0.401 993 HD3 ARG 48 HD1 ARG 48 0.523 -7.586 -0.686 994 HE ARG 48 HE ARG 48 2.301 -5.722 -1.374 995 HH11 ARG 48 HH11 ARG 48 2.059 -9.118 -2.207 996 HH12 ARG 48 HH12 ARG 48 2.898 -8.945 -3.712 997 HH21 ARG 48 HH21 ARG 48 3.403 -5.465 -3.340 998 HH22 ARG 48 HH22 ARG 48 3.652 -6.848 -4.371 999 H ASP 49 HN ASP 49 3.778 -8.166 4.671 1000 HA ASP 49 HA ASP 49 6.343 -7.210 5.426 1001 HB2 ASP 49 HB2 ASP 49 4.899 -8.515 6.952 1002 HB3 ASP 49 HB1 ASP 49 5.144 -9.939 5.944 1003 H LEU 50 HN LEU 50 7.705 -7.079 3.731 1004 HA LEU 50 HA LEU 50 8.481 -9.615 2.449 1005 HB2 LEU 50 HB2 LEU 50 8.651 -6.796 1.379 1006 HB3 LEU 50 HB1 LEU 50 9.287 -8.212 0.566 1007 HG LEU 50 HG LEU 50 6.370 -7.943 1.253 1008 HD11 LEU 50 HD11 LEU 50 6.012 -7.192 -1.048 1009 HD12 LEU 50 HD12 LEU 50 7.758 -7.119 -1.293 1010 HD13 LEU 50 HD13 LEU 50 6.984 -6.039 -0.132 1011 HD21 LEU 50 HD21 LEU 50 7.872 -9.625 -0.750 1012 HD22 LEU 50 HD22 LEU 50 6.122 -9.597 -0.538 1013 HD23 LEU 50 HD23 LEU 50 7.157 -10.191 0.759 1014 H CYS 51 HN CYS 51 10.850 -9.002 1.373 1015 HA CYS 51 HA CYS 51 12.504 -8.007 3.593 1016 HB2 CYS 51 HB2 CYS 51 13.360 -10.267 1.801 1017 HB3 CYS 51 HB1 CYS 51 14.042 -9.781 3.349 1018 HG CYS 51 HG CYS 51 11.549 -11.883 2.686 1019 H ILE 52 HN ILE 52 14.316 -6.859 3.038 1020 HA ILE 52 HA ILE 52 14.306 -5.707 0.394 1021 HB ILE 52 HB ILE 52 15.992 -5.189 2.840 1022 HG12 ILE 52 HG12 ILE 52 13.866 -3.578 1.412 1023 HG13 ILE 52 HG11 ILE 52 13.687 -4.401 2.958 1024 HG21 ILE 52 HG21 ILE 52 17.371 -4.805 0.862 1025 HG22 ILE 52 HG22 ILE 52 16.960 -3.282 1.652 1026 HG23 ILE 52 HG23 ILE 52 16.116 -3.767 0.181 1027 HD11 ILE 52 HD11 ILE 52 15.717 -2.244 2.520 1028 HD12 ILE 52 HD12 ILE 52 15.101 -2.883 4.046 1029 HD13 ILE 52 HD13 ILE 52 14.060 -1.904 3.011 1030 H VAL 53 HN VAL 53 15.563 -6.280 -1.252 1031 HA VAL 53 HA VAL 53 17.553 -8.375 -0.843 1032 HB VAL 53 HB VAL 53 16.774 -7.228 -3.508 1033 HG11 VAL 53 HG11 VAL 53 18.702 -8.696 -3.479 1034 HG12 VAL 53 HG12 VAL 53 17.352 -9.481 -4.303 1035 HG13 VAL 53 HG13 VAL 53 17.766 -9.942 -2.652 1036 HG21 VAL 53 HG21 VAL 53 15.045 -8.962 -3.696 1037 HG22 VAL 53 HG22 VAL 53 14.682 -7.801 -2.419 1038 HG23 VAL 53 HG23 VAL 53 15.310 -9.397 -2.006 1039 H TYR 54 HN TYR 54 19.647 -7.867 -0.680 1040 HA TYR 54 HA TYR 54 20.463 -5.158 -1.388 1041 HB2 TYR 54 HB2 TYR 54 21.491 -7.256 0.436 1042 HB3 TYR 54 HB1 TYR 54 22.680 -6.174 -0.286 1043 HD1 TYR 54 HD1 TYR 54 19.372 -6.032 1.440 1044 HD2 TYR 54 HD2 TYR 54 23.147 -4.186 0.794 1045 HE1 TYR 54 HE1 TYR 54 18.807 -4.309 3.095 1046 HE2 TYR 54 HE2 TYR 54 22.593 -2.459 2.449 1047 HH TYR 54 HH TYR 54 19.706 -2.676 4.421 1048 H ARG 55 HN ARG 55 21.550 -4.682 -3.130 1049 HA ARG 55 HA ARG 55 22.718 -6.867 -4.701 1050 HB2 ARG 55 HB2 ARG 55 21.026 -4.771 -5.435 1051 HB3 ARG 55 HB1 ARG 55 22.609 -4.279 -6.021 1052 HG2 ARG 55 HG2 ARG 55 21.234 -6.883 -6.658 1053 HG3 ARG 55 HG1 ARG 55 21.347 -5.480 -7.723 1054 HD2 ARG 55 HD2 ARG 55 23.428 -5.995 -8.357 1055 HD3 ARG 55 HD1 ARG 55 23.937 -6.337 -6.704 1056 HE ARG 55 HE ARG 55 22.277 -8.397 -7.820 1057 HH11 ARG 55 HH11 ARG 55 25.576 -7.195 -7.601 1058 HH12 ARG 55 HH12 ARG 55 26.280 -8.751 -7.929 1059 HH21 ARG 55 HH21 ARG 55 23.204 -10.423 -8.233 1060 HH22 ARG 55 HH22 ARG 55 24.930 -10.590 -8.304 1061 H ASP 56 HN ASP 56 24.763 -7.114 -4.099 1062 HA ASP 56 HA ASP 56 27.002 -6.730 -4.005 1063 HB2 ASP 56 HB2 ASP 56 26.154 -4.086 -5.144 1064 HB3 ASP 56 HB1 ASP 56 27.808 -4.323 -4.592 1065 H GLY 57 HN GLY 57 25.040 -4.123 -2.676 1066 HA2 GLY 57 HA2 GLY 57 25.698 -4.492 -0.024 1067 HA3 GLY 57 HA1 GLY 57 26.907 -3.380 -0.653 1068 H ASN 58 HN ASN 58 24.487 -2.640 -2.560 1069 HA ASN 58 HA ASN 58 23.602 -0.446 -0.862 1070 HB2 ASN 58 HB2 ASN 58 24.342 -0.510 -3.484 1071 HB3 ASN 58 HB1 ASN 58 22.595 -0.630 -3.635 1072 HD21 ASN 58 HD21 ASN 58 22.603 1.413 -4.637 1073 HD22 ASN 58 HD22 ASN 58 22.751 2.865 -3.713 1074 HA PRO 59 HA PRO 59 19.769 -2.478 0.066 1075 HB2 PRO 59 HB2 PRO 59 18.375 -0.263 0.873 1076 HB3 PRO 59 HB1 PRO 59 19.577 -1.086 1.880 1077 HG2 PRO 59 HG2 PRO 59 19.857 1.396 0.267 1078 HG3 PRO 59 HG1 PRO 59 20.505 1.007 1.872 1079 HD2 PRO 59 HD2 PRO 59 22.018 0.912 -0.369 1080 HD3 PRO 59 HD1 PRO 59 22.293 -0.153 1.023 1081 H TYR 60 HN TYR 60 18.843 -3.179 -1.800 1082 HA TYR 60 HA TYR 60 17.332 -1.207 -3.376 1083 HB2 TYR 60 HB2 TYR 60 18.760 -3.730 -4.161 1084 HB3 TYR 60 HB1 TYR 60 17.421 -3.136 -5.136 1085 HD1 TYR 60 HD2 TYR 60 19.218 -0.458 -3.611 1086 HD2 TYR 60 HD1 TYR 60 19.312 -3.144 -6.903 1087 HE1 TYR 60 HE2 TYR 60 20.742 1.057 -4.797 1088 HE2 TYR 60 HE1 TYR 60 20.835 -1.635 -8.100 1089 HH TYR 60 HH TYR 60 21.229 1.171 -7.828 1090 H ALA 61 HN ALA 61 15.295 -2.039 -4.309 1091 HA ALA 61 HA ALA 61 14.063 -4.084 -2.581 1092 HB1 ALA 61 HB1 ALA 61 12.825 -1.480 -3.456 1093 HB2 ALA 61 HB2 ALA 61 13.350 -1.891 -1.823 1094 HB3 ALA 61 HB3 ALA 61 12.001 -2.756 -2.560 1095 H VAL 62 HN VAL 62 11.551 -4.018 -3.761 1096 HA VAL 62 HA VAL 62 12.121 -4.917 -6.506 1097 HB VAL 62 HB VAL 62 9.984 -6.081 -4.717 1098 HG11 VAL 62 HG11 VAL 62 9.605 -6.413 -7.074 1099 HG12 VAL 62 HG12 VAL 62 10.094 -7.943 -6.341 1100 HG13 VAL 62 HG13 VAL 62 11.252 -7.006 -7.285 1101 HG21 VAL 62 HG21 VAL 62 12.723 -7.237 -5.233 1102 HG22 VAL 62 HG22 VAL 62 11.441 -7.949 -4.253 1103 HG23 VAL 62 HG23 VAL 62 12.229 -6.459 -3.730 1104 H CYS 63 HN CYS 63 10.989 -3.842 -8.027 1105 HA CYS 63 HA CYS 63 8.948 -1.970 -7.218 1106 HB2 CYS 63 HB2 CYS 63 8.905 -1.311 -9.592 1107 HB3 CYS 63 HB1 CYS 63 10.543 -1.315 -8.951 1108 H ASP 64 HN ASP 64 6.951 -1.871 -8.723 1109 HA ASP 64 HA ASP 64 5.245 -3.941 -8.120 1110 HB2 ASP 64 HB2 ASP 64 4.131 -2.020 -8.719 1111 HB3 ASP 64 HB1 ASP 64 5.172 -1.716 -10.104 1112 H LYS 65 HN LYS 65 7.261 -3.587 -10.975 1113 HA LYS 65 HA LYS 65 6.054 -5.532 -12.591 1114 HB2 LYS 65 HB2 LYS 65 8.975 -4.763 -12.537 1115 HB3 LYS 65 HB1 LYS 65 8.127 -5.543 -13.864 1116 HG2 LYS 65 HG2 LYS 65 6.680 -3.516 -14.023 1117 HG3 LYS 65 HG1 LYS 65 7.737 -2.743 -12.841 1118 HD2 LYS 65 HD2 LYS 65 9.382 -3.877 -14.848 1119 HD3 LYS 65 HD1 LYS 65 8.090 -2.994 -15.659 1120 HE2 LYS 65 HE2 LYS 65 9.889 -1.479 -15.325 1121 HE3 LYS 65 HE1 LYS 65 8.614 -1.043 -14.189 1122 HZ1 LYS 65 HZ1 LYS 65 11.072 -2.600 -13.552 1123 HZ2 LYS 65 HZ2 LYS 65 9.839 -2.240 -12.450 1124 HZ3 LYS 65 HZ3 LYS 65 10.765 -0.991 -13.120 1125 H CYS 66 HN CYS 66 9.065 -5.871 -10.685 1126 HA CYS 66 HA CYS 66 9.078 -8.698 -11.034 1127 HB2 CYS 66 HB2 CYS 66 10.789 -7.946 -8.894 1128 HB3 CYS 66 HB1 CYS 66 11.227 -8.384 -10.542 1129 H LEU 67 HN LEU 67 7.696 -6.567 -8.687 1130 HA LEU 67 HA LEU 67 7.612 -8.154 -6.417 1131 HB2 LEU 67 HB2 LEU 67 6.008 -5.929 -7.485 1132 HB3 LEU 67 HB1 LEU 67 5.194 -6.927 -6.296 1133 HG LEU 67 HG LEU 67 7.838 -5.533 -5.860 1134 HD11 LEU 67 HD11 LEU 67 6.534 -4.067 -4.359 1135 HD12 LEU 67 HD12 LEU 67 5.054 -4.834 -4.935 1136 HD13 LEU 67 HD13 LEU 67 6.059 -3.909 -6.049 1137 HD21 LEU 67 HD21 LEU 67 7.782 -7.428 -4.464 1138 HD22 LEU 67 HD22 LEU 67 6.072 -7.205 -4.099 1139 HD23 LEU 67 HD23 LEU 67 7.266 -6.080 -3.448 1140 H LYS 68 HN LYS 68 5.274 -8.082 -9.090 1141 HA LYS 68 HA LYS 68 3.699 -10.173 -7.896 1142 HB2 LYS 68 HB2 LYS 68 2.457 -10.070 -10.110 1143 HB3 LYS 68 HB1 LYS 68 2.444 -8.619 -9.122 1144 HG2 LYS 68 HG2 LYS 68 4.542 -8.028 -10.635 1145 HG3 LYS 68 HG1 LYS 68 3.717 -9.118 -11.748 1146 HD2 LYS 68 HD2 LYS 68 1.694 -7.782 -11.602 1147 HD3 LYS 68 HD1 LYS 68 2.456 -6.720 -10.417 1148 HE2 LYS 68 HE2 LYS 68 4.221 -6.289 -12.219 1149 HE3 LYS 68 HE1 LYS 68 3.078 -7.031 -13.337 1150 HZ1 LYS 68 HZ1 LYS 68 2.385 -4.912 -13.520 1151 HZ2 LYS 68 HZ2 LYS 68 2.959 -4.446 -11.997 1152 HZ3 LYS 68 HZ3 LYS 68 1.493 -5.282 -12.136 1153 H PHE 69 HN PHE 69 6.264 -10.017 -10.263 1154 HA PHE 69 HA PHE 69 5.786 -12.654 -11.292 1155 HB2 PHE 69 HB2 PHE 69 8.130 -10.777 -11.581 1156 HB3 PHE 69 HB1 PHE 69 8.056 -12.358 -12.353 1157 HD1 PHE 69 HD1 PHE 69 5.082 -12.285 -13.055 1158 HD2 PHE 69 HD2 PHE 69 8.212 -9.431 -13.510 1159 HE1 PHE 69 HE1 PHE 69 3.893 -11.280 -14.959 1160 HE2 PHE 69 HE2 PHE 69 7.023 -8.426 -15.412 1161 HZ PHE 69 HZ PHE 69 4.858 -9.348 -16.138 1162 H TYR 70 HN TYR 70 8.135 -11.249 -9.037 1163 HA TYR 70 HA TYR 70 9.021 -13.965 -8.346 1164 HB2 TYR 70 HB2 TYR 70 10.342 -11.304 -7.771 1165 HB3 TYR 70 HB1 TYR 70 11.014 -12.887 -7.399 1166 HD1 TYR 70 HD1 TYR 70 10.198 -10.531 -10.102 1167 HD2 TYR 70 HD2 TYR 70 12.044 -14.231 -9.111 1168 HE1 TYR 70 HE1 TYR 70 11.255 -10.587 -12.317 1169 HE2 TYR 70 HE2 TYR 70 13.108 -14.297 -11.327 1170 HH TYR 70 HH TYR 70 12.684 -13.342 -13.600 Start of MODEL 20 1 H MET 1 HT1 MET 1 -23.824 -4.360 -5.877 2 HA MET 1 HA MET 1 -25.857 -4.703 -4.769 3 HB2 MET 1 HB2 MET 1 -27.133 -6.815 -5.087 4 HB3 MET 1 HB1 MET 1 -27.114 -5.799 -6.521 5 HG2 MET 1 HG2 MET 1 -25.565 -7.206 -7.613 6 HG3 MET 1 HG1 MET 1 -25.220 -8.092 -6.130 7 HE1 MET 1 HE1 MET 1 -28.126 -10.487 -5.687 8 HE2 MET 1 HE2 MET 1 -27.770 -9.006 -4.796 9 HE3 MET 1 HE3 MET 1 -26.458 -10.076 -5.289 10 H PHE 2 HN PHE 2 -25.824 -5.649 -2.749 11 HA PHE 2 HA PHE 2 -24.181 -7.944 -2.212 12 HB2 PHE 2 HB2 PHE 2 -22.841 -5.539 -2.195 13 HB3 PHE 2 HB1 PHE 2 -23.295 -5.725 -0.505 14 HD1 PHE 2 HD1 PHE 2 -22.411 -8.380 -2.945 15 HD2 PHE 2 HD2 PHE 2 -21.258 -6.212 0.530 16 HE1 PHE 2 HE1 PHE 2 -20.525 -9.920 -2.614 17 HE2 PHE 2 HE2 PHE 2 -19.369 -7.748 0.867 18 HZ PHE 2 HZ PHE 2 -19.002 -9.606 -0.702 19 H GLN 3 HN GLN 3 -25.537 -9.029 -1.017 20 HA GLN 3 HA GLN 3 -26.615 -7.824 1.405 21 HB2 GLN 3 HB2 GLN 3 -28.789 -9.246 0.671 22 HB3 GLN 3 HB1 GLN 3 -28.606 -7.532 0.345 23 HG2 GLN 3 HG2 GLN 3 -29.425 -8.710 -1.607 24 HG3 GLN 3 HG1 GLN 3 -27.825 -8.037 -1.909 25 HE21 GLN 3 HE21 GLN 3 -29.629 -10.962 -1.293 26 HE22 GLN 3 HE22 GLN 3 -28.439 -12.057 -1.906 27 H ASP 4 HN ASP 4 -28.289 -10.044 2.014 28 HA ASP 4 HA ASP 4 -26.747 -11.734 3.455 29 HB2 ASP 4 HB2 ASP 4 -29.186 -11.685 3.589 30 HB3 ASP 4 HB1 ASP 4 -29.308 -12.424 1.999 31 HA PRO 5 HA PRO 5 -26.313 -13.638 4.226 32 HB2 PRO 5 HB2 PRO 5 -23.805 -15.060 4.191 33 HB3 PRO 5 HB1 PRO 5 -25.418 -15.693 4.551 34 HG2 PRO 5 HG2 PRO 5 -23.965 -16.396 2.353 35 HG3 PRO 5 HG1 PRO 5 -25.735 -16.466 2.452 36 HD2 PRO 5 HD2 PRO 5 -23.999 -14.383 1.192 37 HD3 PRO 5 HD1 PRO 5 -25.528 -15.082 0.615 38 H GLN 6 HN GLN 6 -24.134 -12.130 2.154 39 HA GLN 6 HA GLN 6 -22.069 -11.361 3.911 40 HB2 GLN 6 HB2 GLN 6 -23.144 -10.160 1.366 41 HB3 GLN 6 HB1 GLN 6 -21.830 -9.406 2.256 42 HG2 GLN 6 HG2 GLN 6 -20.748 -10.676 0.650 43 HG3 GLN 6 HG1 GLN 6 -20.664 -11.675 2.098 44 HE21 GLN 6 HE21 GLN 6 -23.561 -11.285 0.143 45 HE22 GLN 6 HE22 GLN 6 -23.588 -12.905 -0.457 46 H GLU 7 HN GLU 7 -21.815 -9.596 5.249 47 HA GLU 7 HA GLU 7 -24.327 -8.192 5.870 48 HB2 GLU 7 HB2 GLU 7 -23.152 -9.642 7.624 49 HB3 GLU 7 HB1 GLU 7 -21.955 -8.356 7.709 50 HG2 GLU 7 HG2 GLU 7 -23.713 -8.222 9.452 51 HG3 GLU 7 HG1 GLU 7 -23.594 -6.782 8.442 52 H ARG 8 HN ARG 8 -21.226 -7.728 4.582 53 HA ARG 8 HA ARG 8 -20.151 -5.903 3.778 54 HB2 ARG 8 HB2 ARG 8 -22.680 -4.392 4.465 55 HB3 ARG 8 HB1 ARG 8 -21.376 -3.808 3.439 56 HG2 ARG 8 HG2 ARG 8 -22.135 -4.911 1.661 57 HG3 ARG 8 HG1 ARG 8 -22.445 -6.381 2.587 58 HD2 ARG 8 HD2 ARG 8 -24.209 -3.936 2.524 59 HD3 ARG 8 HD1 ARG 8 -24.500 -5.425 1.627 60 HE ARG 8 HE ARG 8 -24.241 -5.766 4.491 61 HH11 ARG 8 HH11 ARG 8 -26.404 -5.211 1.798 62 HH12 ARG 8 HH12 ARG 8 -27.822 -5.722 2.656 63 HH21 ARG 8 HH21 ARG 8 -26.105 -6.523 5.621 64 HH22 ARG 8 HH22 ARG 8 -27.647 -6.485 4.818 65 HA PRO 9 HA PRO 9 -18.919 -4.747 8.066 66 HB2 PRO 9 HB2 PRO 9 -16.252 -5.025 7.589 67 HB3 PRO 9 HB1 PRO 9 -17.296 -6.382 8.046 68 HG2 PRO 9 HG2 PRO 9 -16.306 -5.592 5.356 69 HG3 PRO 9 HG1 PRO 9 -16.456 -7.207 6.076 70 HD2 PRO 9 HD2 PRO 9 -18.250 -6.234 4.306 71 HD3 PRO 9 HD1 PRO 9 -18.698 -7.358 5.606 72 H ARG 10 HN ARG 10 -17.326 -3.047 8.775 73 HA ARG 10 HA ARG 10 -17.409 -0.832 6.858 74 HB2 ARG 10 HB2 ARG 10 -17.595 -1.052 9.792 75 HB3 ARG 10 HB1 ARG 10 -16.678 0.327 9.202 76 HG2 ARG 10 HG2 ARG 10 -19.052 0.848 9.591 77 HG3 ARG 10 HG1 ARG 10 -18.558 1.099 7.917 78 HD2 ARG 10 HD2 ARG 10 -19.526 -1.089 7.324 79 HD3 ARG 10 HD1 ARG 10 -20.050 -1.294 8.996 80 HE ARG 10 HE ARG 10 -21.108 1.103 8.180 81 HH11 ARG 10 HH11 ARG 10 -21.358 -2.220 7.060 82 HH12 ARG 10 HH12 ARG 10 -22.990 -2.026 6.509 83 HH21 ARG 10 HH21 ARG 10 -23.230 1.345 7.411 84 HH22 ARG 10 HH22 ARG 10 -24.051 -0.014 6.707 85 H LYS 11 HN LYS 11 -15.319 -3.115 7.426 86 HA LYS 11 HA LYS 11 -12.986 -1.330 7.283 87 HB2 LYS 11 HB2 LYS 11 -13.210 -4.059 8.563 88 HB3 LYS 11 HB1 LYS 11 -11.670 -3.300 8.190 89 HG2 LYS 11 HG2 LYS 11 -13.767 -2.113 10.000 90 HG3 LYS 11 HG1 LYS 11 -12.357 -3.022 10.546 91 HD2 LYS 11 HD2 LYS 11 -10.873 -1.362 9.589 92 HD3 LYS 11 HD1 LYS 11 -12.246 -0.485 8.912 93 HE2 LYS 11 HE2 LYS 11 -13.090 -0.123 11.219 94 HE3 LYS 11 HE1 LYS 11 -11.626 -0.888 11.837 95 HZ1 LYS 11 HZ1 LYS 11 -10.337 0.895 11.261 96 HZ2 LYS 11 HZ2 LYS 11 -11.794 1.695 11.587 97 HZ3 LYS 11 HZ3 LYS 11 -11.351 1.376 9.986 98 H LEU 12 HN LEU 12 -11.745 -1.512 5.546 99 HA LEU 12 HA LEU 12 -12.589 -2.755 3.239 100 HB2 LEU 12 HB2 LEU 12 -10.953 -0.861 3.481 101 HB3 LEU 12 HB1 LEU 12 -9.726 -2.065 3.818 102 HG LEU 12 HG LEU 12 -10.146 -3.074 1.589 103 HD11 LEU 12 HD11 LEU 12 -12.031 -0.743 1.350 104 HD12 LEU 12 HD12 LEU 12 -12.375 -2.456 1.106 105 HD13 LEU 12 HD13 LEU 12 -11.368 -1.584 -0.050 106 HD21 LEU 12 HD21 LEU 12 -8.952 -1.405 0.344 107 HD22 LEU 12 HD22 LEU 12 -8.361 -1.395 2.005 108 HD23 LEU 12 HD23 LEU 12 -9.469 -0.138 1.458 109 HA PRO 13 HA PRO 13 -9.157 -6.240 3.933 110 HB2 PRO 13 HB2 PRO 13 -9.056 -6.930 6.638 111 HB3 PRO 13 HB1 PRO 13 -7.813 -6.029 5.752 112 HG2 PRO 13 HG2 PRO 13 -9.979 -5.019 7.517 113 HG3 PRO 13 HG1 PRO 13 -8.311 -4.441 7.322 114 HD2 PRO 13 HD2 PRO 13 -10.353 -3.122 6.225 115 HD3 PRO 13 HD1 PRO 13 -8.797 -3.276 5.381 116 H GLN 14 HN GLN 14 -11.955 -5.919 6.103 117 HA GLN 14 HA GLN 14 -12.543 -8.741 5.914 118 HB2 GLN 14 HB2 GLN 14 -12.992 -7.219 7.944 119 HB3 GLN 14 HB1 GLN 14 -14.401 -6.669 7.046 120 HG2 GLN 14 HG2 GLN 14 -15.050 -9.120 6.867 121 HG3 GLN 14 HG1 GLN 14 -13.814 -9.420 8.085 122 HE21 GLN 14 HE21 GLN 14 -16.719 -9.776 8.202 123 HE22 GLN 14 HE22 GLN 14 -17.261 -8.831 9.545 124 H LEU 15 HN LEU 15 -13.583 -5.780 4.373 125 HA LEU 15 HA LEU 15 -15.979 -6.774 3.248 126 HB2 LEU 15 HB2 LEU 15 -15.441 -4.368 3.362 127 HB3 LEU 15 HB1 LEU 15 -14.155 -4.608 2.195 128 HG LEU 15 HG LEU 15 -15.859 -5.327 0.527 129 HD11 LEU 15 HD11 LEU 15 -17.599 -6.098 2.003 130 HD12 LEU 15 HD12 LEU 15 -18.223 -4.792 0.997 131 HD13 LEU 15 HD13 LEU 15 -17.792 -4.480 2.679 132 HD21 LEU 15 HD21 LEU 15 -16.639 -3.122 0.008 133 HD22 LEU 15 HD22 LEU 15 -15.013 -2.990 0.681 134 HD23 LEU 15 HD23 LEU 15 -16.418 -2.600 1.675 135 H CYS 16 HN CYS 16 -12.629 -6.786 2.192 136 HA CYS 16 HA CYS 16 -13.031 -7.750 -0.410 137 HB2 CYS 16 HB2 CYS 16 -10.647 -8.284 1.374 138 HB3 CYS 16 HB1 CYS 16 -10.680 -8.336 -0.386 139 HG CYS 16 HG CYS 16 -11.138 -5.505 1.489 140 H THR 17 HN THR 17 -12.753 -9.391 2.698 141 HA THR 17 HA THR 17 -12.553 -12.020 1.677 142 HB THR 17 HB THR 17 -13.922 -11.830 4.251 143 HG1 THR 17 HG1 THR 17 -11.350 -10.607 4.008 144 HG21 THR 17 HG21 THR 17 -11.220 -12.898 3.430 145 HG22 THR 17 HG22 THR 17 -12.725 -13.817 3.442 146 HG23 THR 17 HG23 THR 17 -12.041 -13.222 4.956 147 H GLU 18 HN GLU 18 -15.295 -9.972 2.563 148 HA GLU 18 HA GLU 18 -17.280 -11.976 2.228 149 HB2 GLU 18 HB2 GLU 18 -17.366 -8.968 2.279 150 HB3 GLU 18 HB1 GLU 18 -18.809 -9.913 1.941 151 HG2 GLU 18 HG2 GLU 18 -17.976 -11.131 4.183 152 HG3 GLU 18 HG1 GLU 18 -17.356 -9.505 4.469 153 H LEU 19 HN LEU 19 -15.688 -9.725 0.093 154 HA LEU 19 HA LEU 19 -17.432 -10.238 -2.145 155 HB2 LEU 19 HB2 LEU 19 -14.930 -8.660 -1.705 156 HB3 LEU 19 HB1 LEU 19 -15.442 -9.024 -3.341 157 HG LEU 19 HG LEU 19 -17.325 -7.711 -1.407 158 HD11 LEU 19 HD11 LEU 19 -15.334 -6.316 -3.197 159 HD12 LEU 19 HD12 LEU 19 -15.283 -6.364 -1.435 160 HD13 LEU 19 HD13 LEU 19 -16.609 -5.543 -2.255 161 HD21 LEU 19 HD21 LEU 19 -18.256 -8.612 -3.472 162 HD22 LEU 19 HD22 LEU 19 -17.082 -7.697 -4.417 163 HD23 LEU 19 HD23 LEU 19 -18.314 -6.850 -3.480 164 H GLN 20 HN GLN 20 -15.258 -12.112 -0.656 165 HA GLN 20 HA GLN 20 -14.032 -13.947 -1.178 166 HB2 GLN 20 HB2 GLN 20 -15.517 -14.031 -3.801 167 HB3 GLN 20 HB1 GLN 20 -14.867 -15.378 -2.880 168 HG2 GLN 20 HG2 GLN 20 -17.216 -13.658 -2.112 169 HG3 GLN 20 HG1 GLN 20 -17.276 -15.313 -2.713 170 HE21 GLN 20 HE21 GLN 20 -18.127 -14.005 -0.157 171 HE22 GLN 20 HE22 GLN 20 -17.411 -14.982 1.080 172 H THR 21 HN THR 21 -12.780 -11.546 -1.722 173 HA THR 21 HA THR 21 -10.930 -12.386 -3.789 174 HB THR 21 HB THR 21 -12.723 -10.977 -4.905 175 HG1 THR 21 HG1 THR 21 -11.072 -9.694 -6.028 176 HG21 THR 21 HG21 THR 21 -13.059 -9.315 -3.159 177 HG22 THR 21 HG22 THR 21 -12.525 -8.534 -4.648 178 HG23 THR 21 HG23 THR 21 -11.387 -8.777 -3.322 179 H THR 22 HN THR 22 -9.283 -10.273 -3.961 180 HA THR 22 HA THR 22 -8.447 -9.834 -1.170 181 HB THR 22 HB THR 22 -6.159 -9.433 -2.376 182 HG1 THR 22 HG1 THR 22 -7.113 -11.333 -4.204 183 HG21 THR 22 HG21 THR 22 -5.777 -11.962 -2.359 184 HG22 THR 22 HG22 THR 22 -7.470 -12.095 -1.882 185 HG23 THR 22 HG23 THR 22 -6.332 -11.223 -0.857 186 H ILE 23 HN ILE 23 -6.931 -7.849 -1.004 187 HA ILE 23 HA ILE 23 -8.411 -5.532 -1.643 188 HB ILE 23 HB ILE 23 -5.749 -4.718 -1.164 189 HG12 ILE 23 HG12 ILE 23 -6.588 -6.920 0.738 190 HG13 ILE 23 HG11 ILE 23 -5.331 -7.085 -0.485 191 HG21 ILE 23 HG21 ILE 23 -6.683 -3.953 0.978 192 HG22 ILE 23 HG22 ILE 23 -8.131 -4.913 0.670 193 HG23 ILE 23 HG23 ILE 23 -7.723 -3.564 -0.392 194 HD11 ILE 23 HD11 ILE 23 -5.292 -5.152 1.819 195 HD12 ILE 23 HD12 ILE 23 -4.022 -5.356 0.613 196 HD13 ILE 23 HD13 ILE 23 -4.400 -6.671 1.726 197 H HIS 24 HN HIS 24 -5.861 -7.218 -3.263 198 HA HIS 24 HA HIS 24 -5.349 -5.057 -5.135 199 HB2 HIS 24 HB2 HIS 24 -4.264 -7.641 -5.925 200 HB3 HIS 24 HB1 HIS 24 -3.420 -6.140 -5.579 201 HD1 HIS 24 HD1 HIS 24 -2.376 -5.885 -3.216 202 HD2 HIS 24 HD2 HIS 24 -4.432 -9.453 -3.803 203 HE1 HIS 24 HE1 HIS 24 -1.786 -7.379 -1.260 204 H ASP 25 HN ASP 25 -7.956 -5.588 -5.233 205 HA ASP 25 HA ASP 25 -8.401 -6.415 -7.923 206 HB2 ASP 25 HB2 ASP 25 -8.187 -8.636 -6.867 207 HB3 ASP 25 HB1 ASP 25 -9.468 -8.216 -5.739 208 H ILE 26 HN ILE 26 -9.779 -5.839 -4.734 209 HA ILE 26 HA ILE 26 -12.394 -5.198 -5.555 210 HB ILE 26 HB ILE 26 -11.942 -5.745 -3.244 211 HG12 ILE 26 HG12 ILE 26 -12.821 -2.859 -3.497 212 HG13 ILE 26 HG11 ILE 26 -13.854 -4.270 -3.699 213 HG21 ILE 26 HG21 ILE 26 -10.599 -4.474 -1.769 214 HG22 ILE 26 HG22 ILE 26 -10.449 -3.154 -2.929 215 HG23 ILE 26 HG23 ILE 26 -9.648 -4.695 -3.238 216 HD11 ILE 26 HD11 ILE 26 -14.193 -3.286 -1.525 217 HD12 ILE 26 HD12 ILE 26 -12.472 -3.422 -1.166 218 HD13 ILE 26 HD13 ILE 26 -13.449 -4.875 -1.358 219 H ILE 27 HN ILE 27 -13.233 -3.447 -6.463 220 HA ILE 27 HA ILE 27 -11.584 -1.010 -6.608 221 HB ILE 27 HB ILE 27 -13.604 -1.987 -8.638 222 HG12 ILE 27 HG12 ILE 27 -11.513 -3.298 -8.665 223 HG13 ILE 27 HG11 ILE 27 -11.691 -2.329 -10.123 224 HG21 ILE 27 HG21 ILE 27 -12.797 -0.108 -10.010 225 HG22 ILE 27 HG22 ILE 27 -11.811 0.438 -8.653 226 HG23 ILE 27 HG23 ILE 27 -13.569 0.427 -8.519 227 HD11 ILE 27 HD11 ILE 27 -10.135 -0.676 -9.186 228 HD12 ILE 27 HD12 ILE 27 -9.409 -2.276 -9.351 229 HD13 ILE 27 HD13 ILE 27 -9.930 -1.700 -7.766 230 H LEU 28 HN LEU 28 -12.390 0.521 -5.362 231 HA LEU 28 HA LEU 28 -15.315 0.753 -5.116 232 HB2 LEU 28 HB2 LEU 28 -13.306 0.496 -3.089 233 HB3 LEU 28 HB1 LEU 28 -14.038 2.083 -2.957 234 HG LEU 28 HG LEU 28 -16.267 1.024 -2.809 235 HD11 LEU 28 HD11 LEU 28 -16.444 -1.377 -2.441 236 HD12 LEU 28 HD12 LEU 28 -14.712 -1.558 -2.728 237 HD13 LEU 28 HD13 LEU 28 -15.774 -1.028 -4.034 238 HD21 LEU 28 HD21 LEU 28 -14.218 0.104 -0.799 239 HD22 LEU 28 HD22 LEU 28 -15.962 0.083 -0.541 240 HD23 LEU 28 HD23 LEU 28 -15.123 1.616 -0.773 241 H GLU 29 HN GLU 29 -16.137 2.934 -4.931 242 HA GLU 29 HA GLU 29 -14.307 4.891 -6.138 243 HB2 GLU 29 HB2 GLU 29 -16.512 6.014 -6.875 244 HB3 GLU 29 HB1 GLU 29 -15.961 4.591 -7.743 245 HG2 GLU 29 HG2 GLU 29 -17.781 4.112 -5.473 246 HG3 GLU 29 HG1 GLU 29 -18.466 4.928 -6.879 247 H CYS 30 HN CYS 30 -14.812 7.169 -5.640 248 HA CYS 30 HA CYS 30 -14.835 7.564 -2.831 249 HB2 CYS 30 HB2 CYS 30 -13.536 8.988 -4.348 250 HB3 CYS 30 HB1 CYS 30 -15.022 9.583 -5.078 251 H VAL 31 HN VAL 31 -16.340 8.508 -1.521 252 HA VAL 31 HA VAL 31 -19.077 8.135 -2.282 253 HB VAL 31 HB VAL 31 -18.319 7.600 -0.019 254 HG11 VAL 31 HG11 VAL 31 -17.837 9.412 1.591 255 HG12 VAL 31 HG12 VAL 31 -17.827 10.558 0.252 256 HG13 VAL 31 HG13 VAL 31 -16.626 9.269 0.317 257 HG21 VAL 31 HG21 VAL 31 -20.323 9.850 -0.038 258 HG22 VAL 31 HG22 VAL 31 -20.124 8.644 1.236 259 HG23 VAL 31 HG23 VAL 31 -20.669 8.152 -0.368 260 H TYR 32 HN TYR 32 -16.882 10.826 -2.183 261 HA TYR 32 HA TYR 32 -19.121 12.707 -2.462 262 HB2 TYR 32 HB2 TYR 32 -16.227 13.090 -1.733 263 HB3 TYR 32 HB1 TYR 32 -17.243 14.442 -2.215 264 HD1 TYR 32 HD2 TYR 32 -19.474 14.715 -0.888 265 HD2 TYR 32 HD1 TYR 32 -16.134 12.468 0.491 266 HE1 TYR 32 HE2 TYR 32 -20.297 14.918 1.418 267 HE2 TYR 32 HE1 TYR 32 -16.950 12.665 2.801 268 HH TYR 32 HH TYR 32 -19.097 13.055 3.968 269 H CYS 33 HN CYS 33 -15.986 11.937 -3.972 270 HA CYS 33 HA CYS 33 -16.560 13.595 -6.254 271 HB2 CYS 33 HB2 CYS 33 -14.362 11.554 -6.158 272 HB3 CYS 33 HB1 CYS 33 -14.374 13.134 -6.938 273 H LYS 34 HN LYS 34 -17.098 10.335 -5.366 274 HA LYS 34 HA LYS 34 -18.006 8.539 -6.402 275 HB2 LYS 34 HB2 LYS 34 -19.053 10.749 -8.154 276 HB3 LYS 34 HB1 LYS 34 -19.448 9.066 -8.464 277 HG2 LYS 34 HG2 LYS 34 -21.209 9.470 -7.145 278 HG3 LYS 34 HG1 LYS 34 -20.053 9.255 -5.827 279 HD2 LYS 34 HD2 LYS 34 -19.655 11.682 -5.811 280 HD3 LYS 34 HD1 LYS 34 -20.843 11.873 -7.102 281 HE2 LYS 34 HE2 LYS 34 -22.524 10.799 -5.575 282 HE3 LYS 34 HE1 LYS 34 -21.324 10.905 -4.289 283 HZ1 LYS 34 HZ1 LYS 34 -22.731 12.781 -4.102 284 HZ2 LYS 34 HZ2 LYS 34 -22.611 13.142 -5.750 285 HZ3 LYS 34 HZ3 LYS 34 -21.271 13.349 -4.741 286 H GLN 35 HN GLN 35 -15.315 9.328 -7.040 287 HA GLN 35 HA GLN 35 -15.008 8.360 -9.801 288 HB2 GLN 35 HB2 GLN 35 -12.964 9.653 -7.975 289 HB3 GLN 35 HB1 GLN 35 -12.717 9.220 -9.661 290 HG2 GLN 35 HG2 GLN 35 -14.703 11.256 -8.672 291 HG3 GLN 35 HG1 GLN 35 -13.106 11.624 -9.324 292 HE21 GLN 35 HE21 GLN 35 -16.356 10.782 -10.046 293 HE22 GLN 35 HE22 GLN 35 -16.217 10.841 -11.770 294 H GLN 36 HN GLN 36 -13.816 6.489 -10.222 295 HA GLN 36 HA GLN 36 -13.702 4.581 -8.105 296 HB2 GLN 36 HB2 GLN 36 -12.895 4.556 -10.991 297 HB3 GLN 36 HB1 GLN 36 -12.402 3.247 -9.927 298 HG2 GLN 36 HG2 GLN 36 -14.767 2.847 -9.370 299 HG3 GLN 36 HG1 GLN 36 -15.225 4.107 -10.513 300 HE21 GLN 36 HE21 GLN 36 -12.542 2.014 -11.160 301 HE22 GLN 36 HE22 GLN 36 -13.299 1.094 -12.410 302 H LEU 37 HN LEU 37 -12.129 4.146 -6.745 303 HA LEU 37 HA LEU 37 -9.711 5.692 -6.766 304 HB2 LEU 37 HB2 LEU 37 -11.005 3.749 -4.925 305 HB3 LEU 37 HB1 LEU 37 -9.272 3.961 -4.777 306 HG LEU 37 HG LEU 37 -9.762 6.466 -4.583 307 HD11 LEU 37 HD11 LEU 37 -12.058 6.414 -5.382 308 HD12 LEU 37 HD12 LEU 37 -11.975 7.045 -3.737 309 HD13 LEU 37 HD13 LEU 37 -12.520 5.392 -4.021 310 HD21 LEU 37 HD21 LEU 37 -9.025 5.097 -2.720 311 HD22 LEU 37 HD22 LEU 37 -10.683 4.575 -2.428 312 HD23 LEU 37 HD23 LEU 37 -10.235 6.265 -2.190 313 H LEU 38 HN LEU 38 -7.606 4.936 -6.875 314 HA LEU 38 HA LEU 38 -7.266 2.544 -8.515 315 HB2 LEU 38 HB2 LEU 38 -6.326 4.885 -9.086 316 HB3 LEU 38 HB1 LEU 38 -5.132 4.554 -7.846 317 HG LEU 38 HG LEU 38 -4.563 2.447 -9.169 318 HD11 LEU 38 HD11 LEU 38 -6.108 3.923 -11.293 319 HD12 LEU 38 HD12 LEU 38 -6.579 2.397 -10.549 320 HD13 LEU 38 HD13 LEU 38 -5.124 2.482 -11.541 321 HD21 LEU 38 HD21 LEU 38 -3.124 3.684 -10.717 322 HD22 LEU 38 HD22 LEU 38 -3.120 4.406 -9.108 323 HD23 LEU 38 HD23 LEU 38 -4.055 5.150 -10.405 324 H ARG 39 HN ARG 39 -5.220 1.279 -8.069 325 HA ARG 39 HA ARG 39 -5.304 0.028 -5.612 326 HB2 ARG 39 HB2 ARG 39 -4.323 -1.108 -7.433 327 HB3 ARG 39 HB1 ARG 39 -3.158 0.176 -7.721 328 HG2 ARG 39 HG2 ARG 39 -2.034 -0.406 -5.603 329 HG3 ARG 39 HG1 ARG 39 -3.191 -1.719 -5.375 330 HD2 ARG 39 HD2 ARG 39 -2.348 -2.931 -7.189 331 HD3 ARG 39 HD1 ARG 39 -1.525 -1.525 -7.865 332 HE ARG 39 HE ARG 39 -0.270 -1.849 -5.502 333 HH11 ARG 39 HH11 ARG 39 -0.979 -4.088 -8.111 334 HH12 ARG 39 HH12 ARG 39 0.413 -5.077 -7.800 335 HH21 ARG 39 HH21 ARG 39 1.560 -3.183 -5.099 336 HH22 ARG 39 HH22 ARG 39 1.830 -4.584 -6.094 337 H ARG 40 HN ARG 40 -3.494 2.885 -6.510 338 HA ARG 40 HA ARG 40 -1.598 2.838 -4.422 339 HB2 ARG 40 HB2 ARG 40 -1.082 4.301 -6.157 340 HB3 ARG 40 HB1 ARG 40 -2.702 4.979 -6.205 341 HG2 ARG 40 HG2 ARG 40 -2.088 5.883 -3.832 342 HG3 ARG 40 HG1 ARG 40 -0.431 5.617 -4.381 343 HD2 ARG 40 HD2 ARG 40 -1.297 7.923 -4.799 344 HD3 ARG 40 HD1 ARG 40 -0.737 7.079 -6.242 345 HE ARG 40 HE ARG 40 -3.538 6.711 -5.848 346 HH11 ARG 40 HH11 ARG 40 -1.187 9.063 -6.969 347 HH12 ARG 40 HH12 ARG 40 -2.296 9.839 -8.052 348 HH21 ARG 40 HH21 ARG 40 -5.009 7.755 -7.208 349 HH22 ARG 40 HH22 ARG 40 -4.485 9.103 -8.180 350 H GLU 41 HN GLU 41 -4.667 4.642 -4.684 351 HA GLU 41 HA GLU 41 -4.521 5.567 -1.993 352 HB2 GLU 41 HB2 GLU 41 -7.045 6.080 -2.487 353 HB3 GLU 41 HB1 GLU 41 -5.774 7.009 -3.265 354 HG2 GLU 41 HG2 GLU 41 -6.828 4.601 -4.650 355 HG3 GLU 41 HG1 GLU 41 -7.809 6.064 -4.620 356 H VAL 42 HN VAL 42 -5.943 2.771 -3.535 357 HA VAL 42 HA VAL 42 -7.664 1.985 -1.452 358 HB VAL 42 HB VAL 42 -6.234 0.341 -3.550 359 HG11 VAL 42 HG11 VAL 42 -7.691 -1.517 -2.974 360 HG12 VAL 42 HG12 VAL 42 -8.398 -0.581 -1.658 361 HG13 VAL 42 HG13 VAL 42 -6.703 -1.063 -1.586 362 HG21 VAL 42 HG21 VAL 42 -8.481 0.206 -4.551 363 HG22 VAL 42 HG22 VAL 42 -7.906 1.869 -4.416 364 HG23 VAL 42 HG23 VAL 42 -9.096 1.252 -3.270 365 H TYR 43 HN TYR 43 -4.229 1.423 -2.032 366 HA TYR 43 HA TYR 43 -3.870 -0.327 0.197 367 HB2 TYR 43 HB2 TYR 43 -1.966 1.199 -1.572 368 HB3 TYR 43 HB1 TYR 43 -1.392 0.318 -0.161 369 HD1 TYR 43 HD1 TYR 43 -4.237 -1.150 -1.827 370 HD2 TYR 43 HD2 TYR 43 0.015 -0.948 -1.819 371 HE1 TYR 43 HE1 TYR 43 -4.143 -3.201 -3.183 372 HE2 TYR 43 HE2 TYR 43 0.119 -2.993 -3.171 373 HH TYR 43 HH TYR 43 -1.072 -4.405 -4.458 374 H ASP 44 HN ASP 44 -3.585 3.126 -0.351 375 HA ASP 44 HA ASP 44 -2.373 3.857 2.078 376 HB2 ASP 44 HB2 ASP 44 -3.851 5.212 -0.068 377 HB3 ASP 44 HB1 ASP 44 -4.049 5.972 1.506 378 H PHE 45 HN PHE 45 -5.673 3.211 1.173 379 HA PHE 45 HA PHE 45 -6.951 4.131 3.517 380 HB2 PHE 45 HB2 PHE 45 -8.014 3.634 1.271 381 HB3 PHE 45 HB1 PHE 45 -7.896 1.926 1.671 382 HD1 PHE 45 HD2 PHE 45 -9.238 0.995 3.527 383 HD2 PHE 45 HD1 PHE 45 -9.696 5.016 2.200 384 HE1 PHE 45 HE2 PHE 45 -11.414 1.120 4.667 385 HE2 PHE 45 HE1 PHE 45 -11.875 5.146 3.337 386 HZ PHE 45 HZ PHE 45 -12.738 3.197 4.572 387 H ALA 46 HN ALA 46 -5.587 1.009 2.585 388 HA ALA 46 HA ALA 46 -6.516 -0.283 5.006 389 HB1 ALA 46 HB1 ALA 46 -6.403 -1.490 2.851 390 HB2 ALA 46 HB2 ALA 46 -5.490 -2.281 4.137 391 HB3 ALA 46 HB3 ALA 46 -4.646 -1.351 2.898 392 H PHE 47 HN PHE 47 -3.698 1.396 3.953 393 HA PHE 47 HA PHE 47 -1.851 0.215 5.773 394 HB2 PHE 47 HB2 PHE 47 -1.486 1.725 3.617 395 HB3 PHE 47 HB1 PHE 47 -1.467 3.016 4.813 396 HD1 PHE 47 HD1 PHE 47 0.184 -0.106 3.754 397 HD2 PHE 47 HD2 PHE 47 0.403 3.347 6.233 398 HE1 PHE 47 HE1 PHE 47 2.538 -0.620 4.257 399 HE2 PHE 47 HE2 PHE 47 2.755 2.841 6.738 400 HZ PHE 47 HZ PHE 47 3.825 0.855 5.749 401 H ARG 48 HN ARG 48 -4.268 2.651 6.029 402 HA ARG 48 HA ARG 48 -3.351 3.287 8.760 403 HB2 ARG 48 HB2 ARG 48 -5.011 4.999 6.893 404 HB3 ARG 48 HB1 ARG 48 -4.598 5.410 8.551 405 HG2 ARG 48 HG2 ARG 48 -2.243 5.505 7.959 406 HG3 ARG 48 HG1 ARG 48 -2.633 5.046 6.298 407 HD2 ARG 48 HD2 ARG 48 -4.155 7.093 6.270 408 HD3 ARG 48 HD1 ARG 48 -3.339 7.581 7.754 409 HE ARG 48 HE ARG 48 -1.498 8.166 6.519 410 HH11 ARG 48 HH11 ARG 48 -3.608 6.192 4.526 411 HH12 ARG 48 HH12 ARG 48 -2.735 6.542 3.062 412 HH21 ARG 48 HH21 ARG 48 -0.379 8.609 4.572 413 HH22 ARG 48 HH22 ARG 48 -0.938 7.889 3.084 414 H ASP 49 HN ASP 49 -5.293 3.937 10.193 415 HA ASP 49 HA ASP 49 -7.282 1.843 9.846 416 HB2 ASP 49 HB2 ASP 49 -6.248 2.006 12.047 417 HB3 ASP 49 HB1 ASP 49 -6.782 3.678 12.195 418 H LEU 50 HN LEU 50 -8.538 2.653 8.210 419 HA LEU 50 HA LEU 50 -10.141 5.024 8.893 420 HB2 LEU 50 HB2 LEU 50 -8.994 4.055 6.338 421 HB3 LEU 50 HB1 LEU 50 -10.613 4.721 6.255 422 HG LEU 50 HG LEU 50 -9.607 6.763 7.490 423 HD11 LEU 50 HD11 LEU 50 -7.089 5.536 6.374 424 HD12 LEU 50 HD12 LEU 50 -7.482 5.715 8.085 425 HD13 LEU 50 HD13 LEU 50 -7.242 7.145 7.081 426 HD21 LEU 50 HD21 LEU 50 -8.890 7.747 5.358 427 HD22 LEU 50 HD22 LEU 50 -10.389 6.834 5.194 428 HD23 LEU 50 HD23 LEU 50 -8.869 6.140 4.632 429 H CYS 51 HN CYS 51 -12.371 4.882 7.709 430 HA CYS 51 HA CYS 51 -13.396 2.138 7.973 431 HB2 CYS 51 HB2 CYS 51 -14.691 4.689 8.964 432 HB3 CYS 51 HB1 CYS 51 -15.483 3.115 8.928 433 HG CYS 51 HG CYS 51 -14.791 3.538 11.554 434 H ILE 52 HN ILE 52 -15.174 1.604 6.644 435 HA ILE 52 HA ILE 52 -15.158 2.995 4.120 436 HB ILE 52 HB ILE 52 -16.841 0.638 4.978 437 HG12 ILE 52 HG12 ILE 52 -14.254 0.616 3.413 438 HG13 ILE 52 HG11 ILE 52 -14.362 0.269 5.136 439 HG21 ILE 52 HG21 ILE 52 -16.151 1.676 2.229 440 HG22 ILE 52 HG22 ILE 52 -17.722 1.800 3.022 441 HG23 ILE 52 HG23 ILE 52 -17.078 0.218 2.580 442 HD11 ILE 52 HD11 ILE 52 -14.267 -1.744 3.707 443 HD12 ILE 52 HD12 ILE 52 -15.813 -1.273 3.002 444 HD13 ILE 52 HD13 ILE 52 -15.708 -1.666 4.719 445 H VAL 53 HN VAL 53 -16.638 4.358 3.354 446 HA VAL 53 HA VAL 53 -18.867 5.073 5.106 447 HB VAL 53 HB VAL 53 -19.031 6.939 3.198 448 HG11 VAL 53 HG11 VAL 53 -17.641 8.381 4.635 449 HG12 VAL 53 HG12 VAL 53 -17.063 6.948 5.484 450 HG13 VAL 53 HG13 VAL 53 -18.768 7.389 5.559 451 HG21 VAL 53 HG21 VAL 53 -16.106 6.191 3.213 452 HG22 VAL 53 HG22 VAL 53 -16.802 7.624 2.455 453 HG23 VAL 53 HG23 VAL 53 -17.210 6.018 1.849 454 H TYR 54 HN TYR 54 -20.741 4.165 4.719 455 HA TYR 54 HA TYR 54 -21.332 3.134 2.051 456 HB2 TYR 54 HB2 TYR 54 -22.455 2.599 4.787 457 HB3 TYR 54 HB1 TYR 54 -23.353 2.142 3.345 458 HD1 TYR 54 HD2 TYR 54 -20.054 1.687 5.009 459 HD2 TYR 54 HD1 TYR 54 -22.911 0.112 2.280 460 HE1 TYR 54 HE2 TYR 54 -18.762 -0.397 4.870 461 HE2 TYR 54 HE1 TYR 54 -21.625 -1.981 2.137 462 HH TYR 54 HH TYR 54 -18.905 -2.616 4.241 463 H ARG 55 HN ARG 55 -22.342 4.503 0.729 464 HA ARG 55 HA ARG 55 -24.177 6.489 1.836 465 HB2 ARG 55 HB2 ARG 55 -22.373 6.714 -0.175 466 HB3 ARG 55 HB1 ARG 55 -23.806 6.294 -1.100 467 HG2 ARG 55 HG2 ARG 55 -23.816 8.530 0.899 468 HG3 ARG 55 HG1 ARG 55 -23.291 8.766 -0.767 469 HD2 ARG 55 HD2 ARG 55 -25.980 7.677 0.058 470 HD3 ARG 55 HD1 ARG 55 -25.670 9.353 -0.389 471 HE ARG 55 HE ARG 55 -24.758 7.889 -2.512 472 HH11 ARG 55 HH11 ARG 55 -27.821 8.181 -0.834 473 HH12 ARG 55 HH12 ARG 55 -28.768 7.797 -2.234 474 HH21 ARG 55 HH21 ARG 55 -26.008 7.377 -4.351 475 HH22 ARG 55 HH22 ARG 55 -27.738 7.343 -4.228 476 H ASP 56 HN ASP 56 -26.132 5.752 2.240 477 HA ASP 56 HA ASP 56 -28.225 4.936 1.922 478 HB2 ASP 56 HB2 ASP 56 -28.119 5.847 -0.376 479 HB3 ASP 56 HB1 ASP 56 -27.391 4.338 -0.920 480 H GLY 57 HN GLY 57 -26.321 2.823 -0.210 481 HA2 GLY 57 HA2 GLY 57 -26.301 0.695 1.728 482 HA3 GLY 57 HA1 GLY 57 -27.433 0.418 0.411 483 H ASN 58 HN ASN 58 -24.572 2.236 -0.200 484 HA ASN 58 HA ASN 58 -23.339 -0.105 -1.482 485 HB2 ASN 58 HB2 ASN 58 -24.420 1.421 -3.145 486 HB3 ASN 58 HB1 ASN 58 -23.348 2.707 -2.597 487 HD21 ASN 58 HD21 ASN 58 -23.547 -0.332 -4.282 488 HD22 ASN 58 HD22 ASN 58 -21.996 -0.235 -5.041 489 HA PRO 59 HA PRO 59 -19.859 1.146 0.972 490 HB2 PRO 59 HB2 PRO 59 -18.006 -0.506 -0.128 491 HB3 PRO 59 HB1 PRO 59 -19.267 -1.082 0.978 492 HG2 PRO 59 HG2 PRO 59 -19.146 -1.246 -1.989 493 HG3 PRO 59 HG1 PRO 59 -19.714 -2.447 -0.812 494 HD2 PRO 59 HD2 PRO 59 -21.395 -0.860 -2.249 495 HD3 PRO 59 HD1 PRO 59 -21.788 -1.503 -0.642 496 H TYR 60 HN TYR 60 -18.867 3.026 0.669 497 HA TYR 60 HA TYR 60 -17.469 3.488 -1.881 498 HB2 TYR 60 HB2 TYR 60 -18.975 5.421 -0.117 499 HB3 TYR 60 HB1 TYR 60 -17.807 5.963 -1.319 500 HD1 TYR 60 HD1 TYR 60 -18.203 5.346 -3.742 501 HD2 TYR 60 HD2 TYR 60 -21.178 4.880 -0.744 502 HE1 TYR 60 HE1 TYR 60 -19.934 5.237 -5.481 503 HE2 TYR 60 HE2 TYR 60 -22.918 4.771 -2.480 504 HH TYR 60 HH TYR 60 -22.241 4.261 -5.715 505 H ALA 61 HN ALA 61 -15.509 4.744 -1.740 506 HA ALA 61 HA ALA 61 -14.204 4.402 0.881 507 HB1 ALA 61 HB1 ALA 61 -13.250 2.959 -0.817 508 HB2 ALA 61 HB2 ALA 61 -12.088 4.203 -0.354 509 HB3 ALA 61 HB3 ALA 61 -12.974 4.342 -1.874 510 H VAL 62 HN VAL 62 -12.188 5.872 0.998 511 HA VAL 62 HA VAL 62 -13.091 8.614 0.486 512 HB VAL 62 HB VAL 62 -10.908 7.652 2.355 513 HG11 VAL 62 HG11 VAL 62 -11.020 9.875 3.317 514 HG12 VAL 62 HG12 VAL 62 -12.287 10.325 2.179 515 HG13 VAL 62 HG13 VAL 62 -10.661 9.974 1.594 516 HG21 VAL 62 HG21 VAL 62 -13.148 6.834 3.013 517 HG22 VAL 62 HG22 VAL 62 -13.716 8.502 3.052 518 HG23 VAL 62 HG23 VAL 62 -12.463 7.972 4.173 519 H CYS 63 HN CYS 63 -12.128 9.712 -1.116 520 HA CYS 63 HA CYS 63 -9.885 8.564 -2.492 521 HB2 CYS 63 HB2 CYS 63 -10.198 10.293 -4.117 522 HB3 CYS 63 HB1 CYS 63 -11.793 9.723 -3.640 523 H ASP 64 HN ASP 64 -8.363 10.497 -3.357 524 HA ASP 64 HA ASP 64 -6.582 11.032 -1.224 525 HB2 ASP 64 HB2 ASP 64 -6.020 10.658 -3.677 526 HB3 ASP 64 HB1 ASP 64 -6.549 12.312 -3.959 527 H LYS 65 HN LYS 65 -9.156 12.846 -2.692 528 HA LYS 65 HA LYS 65 -8.263 15.390 -1.637 529 HB2 LYS 65 HB2 LYS 65 -10.874 14.609 -2.946 530 HB3 LYS 65 HB1 LYS 65 -10.383 16.249 -2.548 531 HG2 LYS 65 HG2 LYS 65 -9.063 16.429 -4.347 532 HG3 LYS 65 HG1 LYS 65 -8.463 14.774 -4.206 533 HD2 LYS 65 HD2 LYS 65 -9.734 15.027 -6.255 534 HD3 LYS 65 HD1 LYS 65 -10.589 13.954 -5.144 535 HE2 LYS 65 HE2 LYS 65 -11.898 15.990 -4.407 536 HE3 LYS 65 HE1 LYS 65 -11.195 16.826 -5.792 537 HZ1 LYS 65 HZ1 LYS 65 -13.268 15.996 -6.482 538 HZ2 LYS 65 HZ2 LYS 65 -12.988 14.471 -5.802 539 HZ3 LYS 65 HZ3 LYS 65 -12.118 14.965 -7.172 540 H CYS 66 HN CYS 66 -10.991 13.185 -1.063 541 HA CYS 66 HA CYS 66 -12.026 14.648 1.126 542 HB2 CYS 66 HB2 CYS 66 -12.428 11.707 0.590 543 HB3 CYS 66 HB1 CYS 66 -13.522 12.811 1.418 544 H LEU 67 HN LEU 67 -9.408 12.460 0.833 545 HA LEU 67 HA LEU 67 -9.228 11.255 3.307 546 HB2 LEU 67 HB2 LEU 67 -7.486 11.786 1.098 547 HB3 LEU 67 HB1 LEU 67 -6.614 12.058 2.592 548 HG LEU 67 HG LEU 67 -8.138 9.517 2.082 549 HD11 LEU 67 HD11 LEU 67 -5.349 10.271 1.263 550 HD12 LEU 67 HD12 LEU 67 -6.624 9.538 0.289 551 HD13 LEU 67 HD13 LEU 67 -5.822 8.598 1.545 552 HD21 LEU 67 HD21 LEU 67 -7.546 9.954 4.397 553 HD22 LEU 67 HD22 LEU 67 -5.867 10.234 3.933 554 HD23 LEU 67 HD23 LEU 67 -6.574 8.627 3.758 555 H LYS 68 HN LYS 68 -8.136 14.506 2.385 556 HA LYS 68 HA LYS 68 -7.087 15.061 5.013 557 HB2 LYS 68 HB2 LYS 68 -6.638 17.303 4.160 558 HB3 LYS 68 HB1 LYS 68 -6.051 16.076 3.053 559 HG2 LYS 68 HG2 LYS 68 -8.067 16.415 1.673 560 HG3 LYS 68 HG1 LYS 68 -8.548 17.724 2.758 561 HD2 LYS 68 HD2 LYS 68 -6.279 18.753 2.286 562 HD3 LYS 68 HD1 LYS 68 -6.119 17.576 0.982 563 HE2 LYS 68 HE2 LYS 68 -7.575 18.668 -0.345 564 HE3 LYS 68 HE1 LYS 68 -8.650 19.076 0.993 565 HZ1 LYS 68 HZ1 LYS 68 -7.619 21.048 0.032 566 HZ2 LYS 68 HZ2 LYS 68 -6.083 20.439 0.378 567 HZ3 LYS 68 HZ3 LYS 68 -7.137 20.835 1.639 568 H PHE 69 HN PHE 69 -10.135 15.262 3.514 569 HA PHE 69 HA PHE 69 -11.187 17.371 5.147 570 HB2 PHE 69 HB2 PHE 69 -12.321 15.448 3.161 571 HB3 PHE 69 HB1 PHE 69 -13.418 16.219 4.298 572 HD1 PHE 69 HD1 PHE 69 -11.053 16.826 1.542 573 HD2 PHE 69 HD2 PHE 69 -14.003 18.519 4.104 574 HE1 PHE 69 HE1 PHE 69 -11.162 18.817 0.098 575 HE2 PHE 69 HE2 PHE 69 -14.112 20.507 2.665 576 HZ PHE 69 HZ PHE 69 -12.693 20.661 0.659 577 H TYR 70 HN TYR 70 -11.533 13.831 5.091 578 HA TYR 70 HA TYR 70 -12.480 13.993 7.880 579 HB2 TYR 70 HB2 TYR 70 -13.196 11.974 5.741 580 HB3 TYR 70 HB1 TYR 70 -13.690 11.856 7.426 581 HD1 TYR 70 HD2 TYR 70 -15.328 13.447 8.354 582 HD2 TYR 70 HD1 TYR 70 -14.293 13.483 4.226 583 HE1 TYR 70 HE2 TYR 70 -17.328 14.794 7.863 584 HE2 TYR 70 HE1 TYR 70 -16.289 14.825 3.729 585 HH TYR 70 HH TYR 70 -18.498 15.256 4.713 586 H MET 1 HT1 MET 1 23.358 5.043 -2.961 587 HA MET 1 HA MET 1 25.556 4.485 -2.321 588 HB2 MET 1 HB2 MET 1 27.157 6.177 -1.591 589 HB3 MET 1 HB1 MET 1 26.638 6.520 -3.234 590 HG2 MET 1 HG2 MET 1 24.984 8.146 -2.236 591 HG3 MET 1 HG1 MET 1 25.831 7.928 -0.708 592 HE1 MET 1 HE1 MET 1 26.428 10.578 -0.515 593 HE2 MET 1 HE2 MET 1 25.373 10.698 -1.921 594 HE3 MET 1 HE3 MET 1 26.946 11.492 -1.932 595 H PHE 2 HN PHE 2 25.938 3.927 -0.170 596 HA PHE 2 HA PHE 2 24.642 5.421 1.937 597 HB2 PHE 2 HB2 PHE 2 23.144 3.434 0.748 598 HB3 PHE 2 HB1 PHE 2 23.860 2.600 2.123 599 HD1 PHE 2 HD1 PHE 2 22.665 6.114 1.745 600 HD2 PHE 2 HD2 PHE 2 22.201 2.372 3.715 601 HE1 PHE 2 HE1 PHE 2 20.975 7.106 3.230 602 HE2 PHE 2 HE2 PHE 2 20.511 3.361 5.199 603 HZ PHE 2 HZ PHE 2 19.898 5.729 4.960 604 H GLN 3 HN GLN 3 26.718 5.685 2.694 605 HA GLN 3 HA GLN 3 28.064 3.263 3.672 606 HB2 GLN 3 HB2 GLN 3 29.287 6.010 3.428 607 HB3 GLN 3 HB1 GLN 3 30.117 4.473 3.630 608 HG2 GLN 3 HG2 GLN 3 30.443 4.598 1.426 609 HG3 GLN 3 HG1 GLN 3 28.771 4.048 1.310 610 HE21 GLN 3 HE21 GLN 3 30.959 6.654 0.884 611 HE22 GLN 3 HE22 GLN 3 29.845 7.759 0.157 612 H ASP 4 HN ASP 4 29.649 4.344 5.649 613 HA ASP 4 HA ASP 4 27.889 4.454 7.840 614 HB2 ASP 4 HB2 ASP 4 29.802 4.678 9.200 615 HB3 ASP 4 HB1 ASP 4 30.364 3.773 7.803 616 HA PRO 5 HA PRO 5 28.230 5.434 10.097 617 HB2 PRO 5 HB2 PRO 5 26.302 6.561 11.600 618 HB3 PRO 5 HB1 PRO 5 27.934 7.249 11.501 619 HG2 PRO 5 HG2 PRO 5 25.455 8.085 10.075 620 HG3 PRO 5 HG1 PRO 5 26.689 9.082 10.873 621 HD2 PRO 5 HD2 PRO 5 26.630 8.689 8.189 622 HD3 PRO 5 HD1 PRO 5 28.128 8.967 9.095 623 H GLN 6 HN GLN 6 25.940 5.927 7.733 624 HA GLN 6 HA GLN 6 23.714 4.524 8.756 625 HB2 GLN 6 HB2 GLN 6 24.680 5.022 5.939 626 HB3 GLN 6 HB1 GLN 6 23.197 4.149 6.283 627 HG2 GLN 6 HG2 GLN 6 22.462 6.300 5.879 628 HG3 GLN 6 HG1 GLN 6 22.526 6.225 7.636 629 HE21 GLN 6 HE21 GLN 6 25.379 6.521 5.619 630 HE22 GLN 6 HE22 GLN 6 25.761 8.143 6.083 631 H GLU 7 HN GLU 7 23.376 2.402 9.030 632 HA GLU 7 HA GLU 7 25.568 0.603 8.305 633 HB2 GLU 7 HB2 GLU 7 24.616 0.766 10.686 634 HB3 GLU 7 HB1 GLU 7 23.235 -0.122 10.060 635 HG2 GLU 7 HG2 GLU 7 25.091 -1.454 11.192 636 HG3 GLU 7 HG1 GLU 7 24.498 -2.035 9.638 637 H ARG 8 HN ARG 8 22.601 1.565 7.166 638 HA ARG 8 HA ARG 8 21.312 0.859 5.434 639 HB2 ARG 8 HB2 ARG 8 23.362 -1.337 5.085 640 HB3 ARG 8 HB1 ARG 8 22.130 -0.877 3.918 641 HG2 ARG 8 HG2 ARG 8 23.337 0.832 3.142 642 HG3 ARG 8 HG1 ARG 8 23.846 1.335 4.755 643 HD2 ARG 8 HD2 ARG 8 24.989 -1.019 3.256 644 HD3 ARG 8 HD1 ARG 8 25.711 0.589 3.287 645 HE ARG 8 HE ARG 8 25.302 -1.001 5.741 646 HH11 ARG 8 HH11 ARG 8 27.296 1.012 3.683 647 HH12 ARG 8 HH12 ARG 8 28.660 0.978 4.747 648 HH21 ARG 8 HH21 ARG 8 27.107 -1.052 7.168 649 HH22 ARG 8 HH22 ARG 8 28.553 -0.195 6.732 650 HA PRO 9 HA PRO 9 19.419 -2.205 8.321 651 HB2 PRO 9 HB2 PRO 9 17.017 -0.599 7.732 652 HB3 PRO 9 HB1 PRO 9 17.717 -1.041 9.300 653 HG2 PRO 9 HG2 PRO 9 17.824 1.456 8.387 654 HG3 PRO 9 HG1 PRO 9 19.151 0.748 9.330 655 HD2 PRO 9 HD2 PRO 9 18.951 1.155 6.370 656 HD3 PRO 9 HD1 PRO 9 20.338 1.406 7.455 657 H ARG 10 HN ARG 10 18.320 -4.003 7.709 658 HA ARG 10 HA ARG 10 17.703 -4.269 4.890 659 HB2 ARG 10 HB2 ARG 10 17.994 -6.163 7.191 660 HB3 ARG 10 HB1 ARG 10 17.124 -6.687 5.757 661 HG2 ARG 10 HG2 ARG 10 19.406 -7.407 5.587 662 HG3 ARG 10 HG1 ARG 10 19.121 -6.142 4.394 663 HD2 ARG 10 HD2 ARG 10 20.256 -4.522 5.734 664 HD3 ARG 10 HD1 ARG 10 20.347 -5.633 7.098 665 HE ARG 10 HE ARG 10 21.660 -6.788 4.900 666 HH11 ARG 10 HH11 ARG 10 22.043 -4.090 7.095 667 HH12 ARG 10 HH12 ARG 10 23.775 -4.133 7.046 668 HH21 ARG 10 HH21 ARG 10 23.943 -6.837 4.830 669 HH22 ARG 10 HH22 ARG 10 24.857 -5.689 5.756 670 H LYS 11 HN LYS 11 16.038 -2.794 7.047 671 HA LYS 11 HA LYS 11 13.452 -3.895 6.188 672 HB2 LYS 11 HB2 LYS 11 14.192 -2.905 8.948 673 HB3 LYS 11 HB1 LYS 11 12.535 -3.155 8.419 674 HG2 LYS 11 HG2 LYS 11 14.651 -5.292 8.521 675 HG3 LYS 11 HG1 LYS 11 13.416 -5.025 9.750 676 HD2 LYS 11 HD2 LYS 11 11.681 -5.403 8.002 677 HD3 LYS 11 HD1 LYS 11 12.969 -5.812 6.871 678 HE2 LYS 11 HE2 LYS 11 13.685 -7.607 8.460 679 HE3 LYS 11 HE1 LYS 11 12.246 -7.253 9.412 680 HZ1 LYS 11 HZ1 LYS 11 11.813 -7.750 6.583 681 HZ2 LYS 11 HZ2 LYS 11 10.895 -8.247 7.922 682 HZ3 LYS 11 HZ3 LYS 11 12.307 -9.083 7.502 683 H LEU 12 HN LEU 12 12.046 -2.432 5.409 684 HA LEU 12 HA LEU 12 12.891 0.056 4.546 685 HB2 LEU 12 HB2 LEU 12 11.032 -1.217 3.571 686 HB3 LEU 12 HB1 LEU 12 10.049 -0.844 4.974 687 HG LEU 12 HG LEU 12 10.350 1.606 4.382 688 HD11 LEU 12 HD11 LEU 12 11.344 0.400 1.805 689 HD12 LEU 12 HD12 LEU 12 12.268 1.405 2.921 690 HD13 LEU 12 HD13 LEU 12 10.904 2.091 2.040 691 HD21 LEU 12 HD21 LEU 12 8.623 1.523 2.626 692 HD22 LEU 12 HD22 LEU 12 8.270 0.451 3.979 693 HD23 LEU 12 HD23 LEU 12 8.892 -0.212 2.468 694 HA PRO 13 HA PRO 13 10.180 2.137 8.108 695 HB2 PRO 13 HB2 PRO 13 10.412 0.620 10.454 696 HB3 PRO 13 HB1 PRO 13 8.961 0.760 9.445 697 HG2 PRO 13 HG2 PRO 13 11.009 -1.383 9.518 698 HG3 PRO 13 HG1 PRO 13 9.256 -1.494 9.261 699 HD2 PRO 13 HD2 PRO 13 10.958 -1.733 7.223 700 HD3 PRO 13 HD1 PRO 13 9.406 -0.891 7.031 701 H GLN 14 HN GLN 14 13.011 0.136 8.779 702 HA GLN 14 HA GLN 14 14.127 2.096 10.585 703 HB2 GLN 14 HB2 GLN 14 14.401 -0.509 10.616 704 HB3 GLN 14 HB1 GLN 14 15.689 -0.198 9.461 705 HG2 GLN 14 HG2 GLN 14 16.889 -0.161 11.381 706 HG3 GLN 14 HG1 GLN 14 16.436 1.541 11.303 707 HE21 GLN 14 HE21 GLN 14 13.645 0.973 12.027 708 HE22 GLN 14 HE22 GLN 14 13.655 0.617 13.715 709 H LEU 15 HN LEU 15 14.550 1.075 7.254 710 HA LEU 15 HA LEU 15 16.947 2.431 6.708 711 HB2 LEU 15 HB2 LEU 15 16.048 0.758 5.197 712 HB3 LEU 15 HB1 LEU 15 14.635 1.748 4.889 713 HG LEU 15 HG LEU 15 16.156 3.465 3.862 714 HD11 LEU 15 HD11 LEU 15 18.233 2.832 4.928 715 HD12 LEU 15 HD12 LEU 15 18.392 2.717 3.174 716 HD13 LEU 15 HD13 LEU 15 18.183 1.256 4.140 717 HD21 LEU 15 HD21 LEU 15 16.410 2.279 1.767 718 HD22 LEU 15 HD22 LEU 15 14.870 1.858 2.516 719 HD23 LEU 15 HD23 LEU 15 16.227 0.732 2.593 720 H CYS 16 HN CYS 16 13.596 3.485 6.659 721 HA CYS 16 HA CYS 16 13.983 5.987 5.441 722 HB2 CYS 16 HB2 CYS 16 11.898 5.272 7.512 723 HB3 CYS 16 HB1 CYS 16 11.809 6.579 6.334 724 HG CYS 16 HG CYS 16 11.937 3.277 5.445 725 H THR 17 HN THR 17 14.531 4.867 8.687 726 HA THR 17 HA THR 17 14.660 7.437 9.909 727 HB THR 17 HB THR 17 16.087 5.007 10.955 728 HG1 THR 17 HG1 THR 17 13.297 5.512 10.798 729 HG21 THR 17 HG21 THR 17 14.601 7.302 12.236 730 HG22 THR 17 HG22 THR 17 16.345 7.040 12.239 731 HG23 THR 17 HG23 THR 17 15.284 5.937 13.113 732 H GLU 18 HN GLU 18 17.062 5.204 8.555 733 HA GLU 18 HA GLU 18 19.335 6.742 9.252 734 HB2 GLU 18 HB2 GLU 18 18.897 4.660 7.112 735 HB3 GLU 18 HB1 GLU 18 20.462 5.390 7.442 736 HG2 GLU 18 HG2 GLU 18 19.579 4.551 9.920 737 HG3 GLU 18 HG1 GLU 18 19.078 3.265 8.823 738 H LEU 19 HN LEU 19 17.260 6.635 6.406 739 HA LEU 19 HA LEU 19 18.803 8.563 4.944 740 HB2 LEU 19 HB2 LEU 19 16.300 7.048 4.537 741 HB3 LEU 19 HB1 LEU 19 16.383 8.598 3.724 742 HG LEU 19 HG LEU 19 18.524 6.499 3.421 743 HD11 LEU 19 HD11 LEU 19 16.128 6.977 1.655 744 HD12 LEU 19 HD12 LEU 19 16.383 5.568 2.682 745 HD13 LEU 19 HD13 LEU 19 17.463 5.871 1.322 746 HD21 LEU 19 HD21 LEU 19 19.160 8.785 2.843 747 HD22 LEU 19 HD22 LEU 19 17.767 8.906 1.767 748 HD23 LEU 19 HD23 LEU 19 19.063 7.766 1.407 749 H GLN 20 HN GLN 20 16.777 8.773 7.555 750 HA GLN 20 HA GLN 20 15.704 10.429 8.655 751 HB2 GLN 20 HB2 GLN 20 17.752 11.941 7.077 752 HB3 GLN 20 HB1 GLN 20 16.570 12.814 8.042 753 HG2 GLN 20 HG2 GLN 20 18.432 10.701 9.098 754 HG3 GLN 20 HG1 GLN 20 18.705 12.439 9.215 755 HE21 GLN 20 HE21 GLN 20 16.908 9.729 10.398 756 HE22 GLN 20 HE22 GLN 20 16.158 10.541 11.732 757 H THR 21 HN THR 21 14.049 9.469 6.934 758 HA THR 21 HA THR 21 12.445 11.739 6.174 759 HB THR 21 HB THR 21 13.914 11.370 4.164 760 HG1 THR 21 HG1 THR 21 12.217 11.684 2.767 761 HG21 THR 21 HG21 THR 21 14.116 8.931 4.285 762 HG22 THR 21 HG22 THR 21 13.468 9.435 2.726 763 HG23 THR 21 HG23 THR 21 12.392 8.765 3.952 764 H THR 22 HN THR 22 10.474 10.479 4.739 765 HA THR 22 HA THR 22 9.633 8.348 6.597 766 HB THR 22 HB THR 22 7.280 9.079 5.947 767 HG1 THR 22 HG1 THR 22 7.634 11.565 5.404 768 HG21 THR 22 HG21 THR 22 7.279 10.968 7.532 769 HG22 THR 22 HG22 THR 22 9.040 11.020 7.452 770 HG23 THR 22 HG23 THR 22 8.230 9.609 8.128 771 H ILE 23 HN ILE 23 7.743 7.043 5.555 772 HA ILE 23 HA ILE 23 8.802 5.724 3.251 773 HB ILE 23 HB ILE 23 6.731 4.328 3.395 774 HG12 ILE 23 HG12 ILE 23 6.155 5.999 5.852 775 HG13 ILE 23 HG11 ILE 23 5.290 6.146 4.327 776 HG21 ILE 23 HG21 ILE 23 7.326 3.272 5.535 777 HG22 ILE 23 HG22 ILE 23 8.299 4.682 5.947 778 HG23 ILE 23 HG23 ILE 23 8.747 3.673 4.573 779 HD11 ILE 23 HD11 ILE 23 5.381 3.706 6.083 780 HD12 ILE 23 HD12 ILE 23 4.523 3.837 4.548 781 HD13 ILE 23 HD13 ILE 23 4.032 4.829 5.923 782 H HIS 24 HN HIS 24 7.290 8.564 3.369 783 HA HIS 24 HA HIS 24 5.620 8.103 0.997 784 HB2 HIS 24 HB2 HIS 24 5.691 10.735 2.424 785 HB3 HIS 24 HB1 HIS 24 4.358 9.966 1.571 786 HD1 HIS 24 HD1 HIS 24 3.267 7.824 2.936 787 HD2 HIS 24 HD2 HIS 24 5.614 10.498 5.097 788 HE1 HIS 24 HE1 HIS 24 2.746 7.423 5.378 789 H ASP 25 HN ASP 25 8.504 9.590 2.133 790 HA ASP 25 HA ASP 25 8.857 11.031 -0.402 791 HB2 ASP 25 HB2 ASP 25 9.040 12.468 1.532 792 HB3 ASP 25 HB1 ASP 25 10.200 11.381 2.284 793 H ILE 26 HN ILE 26 10.037 8.393 1.490 794 HA ILE 26 HA ILE 26 12.637 8.224 0.404 795 HB ILE 26 HB ILE 26 11.948 7.029 2.463 796 HG12 ILE 26 HG12 ILE 26 12.996 5.164 0.326 797 HG13 ILE 26 HG11 ILE 26 13.967 6.389 1.138 798 HG21 ILE 26 HG21 ILE 26 10.669 5.028 2.414 799 HG22 ILE 26 HG22 ILE 26 10.609 5.035 0.652 800 HG23 ILE 26 HG23 ILE 26 9.741 6.267 1.568 801 HD11 ILE 26 HD11 ILE 26 14.325 4.173 2.077 802 HD12 ILE 26 HD12 ILE 26 12.610 4.056 2.474 803 HD13 ILE 26 HD13 ILE 26 13.619 5.268 3.264 804 H ILE 27 HN ILE 27 13.387 7.441 -1.441 805 HA ILE 27 HA ILE 27 11.510 6.056 -3.228 806 HB ILE 27 HB ILE 27 13.596 8.128 -3.906 807 HG12 ILE 27 HG12 ILE 27 11.420 9.017 -3.245 808 HG13 ILE 27 HG11 ILE 27 11.694 9.287 -4.961 809 HG21 ILE 27 HG21 ILE 27 13.052 7.725 -6.275 810 HG22 ILE 27 HG22 ILE 27 12.077 6.335 -5.797 811 HG23 ILE 27 HG23 ILE 27 13.818 6.331 -5.510 812 HD11 ILE 27 HD11 ILE 27 9.441 8.625 -4.698 813 HD12 ILE 27 HD12 ILE 27 9.889 7.256 -3.683 814 HD13 ILE 27 HD13 ILE 27 10.298 7.253 -5.398 815 H LEU 28 HN LEU 28 12.118 4.073 -3.718 816 HA LEU 28 HA LEU 28 14.988 3.424 -3.725 817 HB2 LEU 28 HB2 LEU 28 12.880 2.283 -2.113 818 HB3 LEU 28 HB1 LEU 28 13.566 1.056 -3.165 819 HG LEU 28 HG LEU 28 15.832 1.658 -2.278 820 HD11 LEU 28 HD11 LEU 28 15.989 2.955 -0.241 821 HD12 LEU 28 HD12 LEU 28 14.250 3.238 -0.261 822 HD13 LEU 28 HD13 LEU 28 15.268 3.927 -1.523 823 HD21 LEU 28 HD21 LEU 28 13.783 0.740 -0.263 824 HD22 LEU 28 HD22 LEU 28 15.528 0.517 -0.130 825 HD23 LEU 28 HD23 LEU 28 14.635 -0.276 -1.426 826 H GLU 29 HN GLU 29 15.511 1.556 -5.116 827 HA GLU 29 HA GLU 29 13.574 1.281 -7.309 828 HB2 GLU 29 HB2 GLU 29 15.677 0.969 -8.767 829 HB3 GLU 29 HB1 GLU 29 15.243 2.599 -8.274 830 HG2 GLU 29 HG2 GLU 29 16.916 2.516 -6.500 831 HG3 GLU 29 HG1 GLU 29 17.339 0.871 -6.972 832 H CYS 30 HN CYS 30 13.670 -0.708 -8.489 833 HA CYS 30 HA CYS 30 13.907 -2.978 -6.812 834 HB2 CYS 30 HB2 CYS 30 12.261 -2.901 -8.612 835 HB3 CYS 30 HB1 CYS 30 13.546 -2.794 -9.809 836 H VAL 31 HN VAL 31 15.351 -4.652 -6.839 837 HA VAL 31 HA VAL 31 18.032 -3.958 -7.571 838 HB VAL 31 HB VAL 31 17.657 -5.163 -5.513 839 HG11 VAL 31 HG11 VAL 31 16.372 -7.227 -7.276 840 HG12 VAL 31 HG12 VAL 31 15.701 -6.400 -5.870 841 HG13 VAL 31 HG13 VAL 31 16.965 -7.608 -5.660 842 HG21 VAL 31 HG21 VAL 31 19.019 -7.038 -7.435 843 HG22 VAL 31 HG22 VAL 31 19.312 -6.879 -5.702 844 HG23 VAL 31 HG23 VAL 31 19.754 -5.568 -6.798 845 H TYR 32 HN TYR 32 15.511 -5.996 -8.905 846 HA TYR 32 HA TYR 32 17.344 -7.318 -10.721 847 HB2 TYR 32 HB2 TYR 32 14.333 -7.489 -10.524 848 HB3 TYR 32 HB1 TYR 32 15.358 -8.519 -11.522 849 HD1 TYR 32 HD2 TYR 32 17.221 -9.838 -10.233 850 HD2 TYR 32 HD1 TYR 32 13.764 -8.187 -8.384 851 HE1 TYR 32 HE2 TYR 32 17.503 -11.384 -8.343 852 HE2 TYR 32 HE1 TYR 32 14.038 -9.728 -6.489 853 HH TYR 32 HH TYR 32 15.086 -11.684 -5.841 854 H CYS 33 HN CYS 33 14.251 -5.638 -11.407 855 HA CYS 33 HA CYS 33 15.134 -5.042 -14.074 856 HB2 CYS 33 HB2 CYS 33 12.916 -3.699 -14.066 857 HB3 CYS 33 HB1 CYS 33 12.843 -5.454 -13.962 858 H LYS 34 HN LYS 34 15.418 -3.513 -11.064 859 HA LYS 34 HA LYS 34 16.305 -1.553 -10.375 860 HB2 LYS 34 HB2 LYS 34 17.310 -1.526 -13.218 861 HB3 LYS 34 HB1 LYS 34 17.760 -0.307 -12.032 862 HG2 LYS 34 HG2 LYS 34 18.979 -1.803 -10.757 863 HG3 LYS 34 HG1 LYS 34 18.134 -3.204 -11.412 864 HD2 LYS 34 HD2 LYS 34 19.219 -2.618 -13.637 865 HD3 LYS 34 HD1 LYS 34 20.250 -1.517 -12.721 866 HE2 LYS 34 HE2 LYS 34 21.299 -3.722 -13.085 867 HE3 LYS 34 HE1 LYS 34 21.078 -3.341 -11.377 868 HZ1 LYS 34 HZ1 LYS 34 20.457 -5.659 -12.130 869 HZ2 LYS 34 HZ2 LYS 34 19.111 -4.967 -12.881 870 HZ3 LYS 34 HZ3 LYS 34 19.304 -4.842 -11.204 871 H GLN 35 HN GLN 35 13.607 -1.605 -11.218 872 HA GLN 35 HA GLN 35 13.180 0.979 -12.492 873 HB2 GLN 35 HB2 GLN 35 11.272 -1.187 -11.596 874 HB3 GLN 35 HB1 GLN 35 10.748 0.347 -12.275 875 HG2 GLN 35 HG2 GLN 35 12.263 -1.865 -13.617 876 HG3 GLN 35 HG1 GLN 35 10.685 -1.202 -14.038 877 HE21 GLN 35 HE21 GLN 35 14.085 -0.920 -14.386 878 HE22 GLN 35 HE22 GLN 35 14.082 0.418 -15.485 879 H GLN 36 HN GLN 36 12.111 2.698 -11.461 880 HA GLN 36 HA GLN 36 12.696 2.944 -8.678 881 HB2 GLN 36 HB2 GLN 36 12.830 4.828 -10.304 882 HB3 GLN 36 HB1 GLN 36 11.077 4.792 -10.441 883 HG2 GLN 36 HG2 GLN 36 10.945 5.238 -7.998 884 HG3 GLN 36 HG1 GLN 36 12.698 5.436 -7.993 885 HE21 GLN 36 HE21 GLN 36 9.667 6.789 -8.987 886 HE22 GLN 36 HE22 GLN 36 10.265 8.354 -9.405 887 H LEU 37 HN LEU 37 11.465 2.348 -7.031 888 HA LEU 37 HA LEU 37 8.765 1.426 -7.481 889 HB2 LEU 37 HB2 LEU 37 10.713 1.354 -5.241 890 HB3 LEU 37 HB1 LEU 37 9.015 1.299 -4.811 891 HG LEU 37 HG LEU 37 8.838 -0.658 -6.461 892 HD11 LEU 37 HD11 LEU 37 10.945 -0.368 -7.603 893 HD12 LEU 37 HD12 LEU 37 10.938 -1.918 -6.761 894 HD13 LEU 37 HD13 LEU 37 11.827 -0.554 -6.087 895 HD21 LEU 37 HD21 LEU 37 8.669 -0.941 -4.066 896 HD22 LEU 37 HD22 LEU 37 10.425 -0.915 -3.911 897 HD23 LEU 37 HD23 LEU 37 9.634 -2.248 -4.752 898 H LEU 38 HN LEU 38 6.991 2.584 -7.222 899 HA LEU 38 HA LEU 38 7.204 5.292 -6.186 900 HB2 LEU 38 HB2 LEU 38 5.945 4.545 -8.333 901 HB3 LEU 38 HB1 LEU 38 4.694 4.007 -7.230 902 HG LEU 38 HG LEU 38 4.564 6.355 -6.347 903 HD11 LEU 38 HD11 LEU 38 6.307 6.955 -8.733 904 HD12 LEU 38 HD12 LEU 38 6.777 7.116 -7.041 905 HD13 LEU 38 HD13 LEU 38 5.511 8.146 -7.705 906 HD21 LEU 38 HD21 LEU 38 3.293 7.207 -8.247 907 HD22 LEU 38 HD22 LEU 38 2.954 5.499 -7.961 908 HD23 LEU 38 HD23 LEU 38 4.015 5.979 -9.285 909 H ARG 39 HN ARG 39 5.270 6.031 -4.825 910 HA ARG 39 HA ARG 39 5.300 4.935 -2.323 911 HB2 ARG 39 HB2 ARG 39 4.427 7.124 -2.655 912 HB3 ARG 39 HB1 ARG 39 3.168 6.540 -3.732 913 HG2 ARG 39 HG2 ARG 39 2.031 5.477 -1.883 914 HG3 ARG 39 HG1 ARG 39 3.336 5.940 -0.786 915 HD2 ARG 39 HD2 ARG 39 2.475 7.974 -0.499 916 HD3 ARG 39 HD1 ARG 39 2.332 8.224 -2.237 917 HE ARG 39 HE ARG 39 0.292 6.601 -0.888 918 HH11 ARG 39 HH11 ARG 39 1.179 9.610 -2.468 919 HH12 ARG 39 HH12 ARG 39 -0.464 10.123 -2.675 920 HH21 ARG 39 HH21 ARG 39 -1.835 7.249 -1.189 921 HH22 ARG 39 HH22 ARG 39 -2.195 8.766 -1.968 922 H ARG 40 HN ARG 40 3.264 4.028 -5.012 923 HA ARG 40 HA ARG 40 1.344 2.481 -3.701 924 HB2 ARG 40 HB2 ARG 40 1.211 3.194 -6.064 925 HB3 ARG 40 HB1 ARG 40 2.517 2.087 -6.460 926 HG2 ARG 40 HG2 ARG 40 1.017 0.239 -5.576 927 HG3 ARG 40 HG1 ARG 40 -0.285 1.431 -5.611 928 HD2 ARG 40 HD2 ARG 40 -0.422 0.296 -7.669 929 HD3 ARG 40 HD1 ARG 40 0.350 1.837 -8.036 930 HE ARG 40 HE ARG 40 2.209 -0.307 -7.491 931 HH11 ARG 40 HH11 ARG 40 0.290 1.285 -9.966 932 HH12 ARG 40 HH12 ARG 40 1.300 0.758 -11.270 933 HH21 ARG 40 HH21 ARG 40 3.546 -1.006 -9.208 934 HH22 ARG 40 HH22 ARG 40 3.151 -0.546 -10.841 935 H GLU 41 HN GLU 41 4.545 1.622 -4.946 936 HA GLU 41 HA GLU 41 4.263 -1.154 -4.199 937 HB2 GLU 41 HB2 GLU 41 6.862 0.125 -4.976 938 HB3 GLU 41 HB1 GLU 41 6.318 -1.524 -5.248 939 HG2 GLU 41 HG2 GLU 41 5.189 0.900 -6.631 940 HG3 GLU 41 HG1 GLU 41 6.428 -0.157 -7.303 941 H VAL 42 HN VAL 42 5.839 1.742 -2.983 942 HA VAL 42 HA VAL 42 7.505 0.600 -1.061 943 HB VAL 42 HB VAL 42 6.052 3.250 -0.918 944 HG11 VAL 42 HG11 VAL 42 7.783 3.925 0.658 945 HG12 VAL 42 HG12 VAL 42 8.493 2.315 0.587 946 HG13 VAL 42 HG13 VAL 42 6.885 2.538 1.274 947 HG21 VAL 42 HG21 VAL 42 8.155 4.193 -1.766 948 HG22 VAL 42 HG22 VAL 42 7.434 3.060 -2.910 949 HG23 VAL 42 HG23 VAL 42 8.813 2.565 -1.927 950 H TYR 43 HN TYR 43 4.102 1.537 -0.877 951 HA TYR 43 HA TYR 43 3.788 0.901 1.877 952 HB2 TYR 43 HB2 TYR 43 1.839 1.307 -0.381 953 HB3 TYR 43 HB1 TYR 43 1.308 0.873 1.240 954 HD1 TYR 43 HD1 TYR 43 4.206 2.909 1.444 955 HD2 TYR 43 HD2 TYR 43 0.008 3.074 0.771 956 HE1 TYR 43 HE1 TYR 43 4.204 5.293 2.060 957 HE2 TYR 43 HE2 TYR 43 -0.000 5.447 1.383 958 HH TYR 43 HH TYR 43 1.166 7.139 2.163 959 H ASP 44 HN ASP 44 3.293 -0.861 -1.126 960 HA ASP 44 HA ASP 44 2.044 -3.141 -0.021 961 HB2 ASP 44 HB2 ASP 44 2.040 -2.561 -2.439 962 HB3 ASP 44 HB1 ASP 44 3.756 -2.945 -2.512 963 H PHE 45 HN PHE 45 5.385 -2.241 -0.568 964 HA PHE 45 HA PHE 45 6.603 -4.688 0.089 965 HB2 PHE 45 HB2 PHE 45 7.650 -2.664 -1.048 966 HB3 PHE 45 HB1 PHE 45 7.786 -1.945 0.551 967 HD1 PHE 45 HD1 PHE 45 9.014 -4.568 -1.687 968 HD2 PHE 45 HD2 PHE 45 9.419 -2.728 2.129 969 HE1 PHE 45 HE1 PHE 45 11.179 -5.694 -1.377 970 HE2 PHE 45 HE2 PHE 45 11.584 -3.852 2.450 971 HZ PHE 45 HZ PHE 45 12.468 -5.338 0.692 972 H ALA 46 HN ALA 46 5.626 -1.926 2.055 973 HA ALA 46 HA ALA 46 6.748 -3.031 4.477 974 HB1 ALA 46 HB1 ALA 46 6.579 -0.567 3.959 975 HB2 ALA 46 HB2 ALA 46 6.011 -1.060 5.554 976 HB3 ALA 46 HB3 ALA 46 4.849 -0.707 4.276 977 H PHE 47 HN PHE 47 3.882 -3.460 2.742 978 HA PHE 47 HA PHE 47 2.051 -3.825 4.882 979 HB2 PHE 47 HB2 PHE 47 1.678 -3.521 2.282 980 HB3 PHE 47 HB1 PHE 47 1.715 -5.280 2.296 981 HD1 PHE 47 HD1 PHE 47 -0.062 -2.304 3.520 982 HD2 PHE 47 HD2 PHE 47 -0.104 -6.546 3.183 983 HE1 PHE 47 HE1 PHE 47 -2.428 -2.333 4.201 984 HE2 PHE 47 HE2 PHE 47 -2.467 -6.580 3.864 985 HZ PHE 47 HZ PHE 47 -3.632 -4.470 4.374 986 H ARG 48 HN ARG 48 4.416 -5.865 3.357 987 HA ARG 48 HA ARG 48 3.554 -8.109 5.070 988 HB2 ARG 48 HB2 ARG 48 5.081 -8.277 2.460 989 HB3 ARG 48 HB1 ARG 48 4.556 -9.633 3.448 990 HG2 ARG 48 HG2 ARG 48 2.247 -9.136 2.990 991 HG3 ARG 48 HG1 ARG 48 2.706 -7.672 2.110 992 HD2 ARG 48 HD2 ARG 48 4.127 -9.306 0.668 993 HD3 ARG 48 HD1 ARG 48 3.060 -10.544 1.332 994 HE ARG 48 HE ARG 48 1.337 -9.724 0.050 995 HH11 ARG 48 HH11 ARG 48 4.053 -7.509 -0.081 996 HH12 ARG 48 HH12 ARG 48 3.371 -6.537 -1.350 997 HH21 ARG 48 HH21 ARG 48 0.441 -8.444 -1.614 998 HH22 ARG 48 HH22 ARG 48 1.308 -7.052 -2.198 999 H ASP 49 HN ASP 49 5.524 -9.655 5.457 1000 HA ASP 49 HA ASP 49 7.624 -7.982 6.578 1001 HB2 ASP 49 HB2 ASP 49 6.604 -9.831 7.928 1002 HB3 ASP 49 HB1 ASP 49 7.290 -10.989 6.791 1003 H LEU 50 HN LEU 50 8.724 -7.310 4.776 1004 HA LEU 50 HA LEU 50 10.028 -9.406 3.181 1005 HB2 LEU 50 HB2 LEU 50 9.127 -6.627 2.538 1006 HB3 LEU 50 HB1 LEU 50 10.419 -7.363 1.607 1007 HG LEU 50 HG LEU 50 7.821 -8.815 1.946 1008 HD11 LEU 50 HD11 LEU 50 8.371 -6.691 -0.121 1009 HD12 LEU 50 HD12 LEU 50 7.212 -6.567 1.200 1010 HD13 LEU 50 HD13 LEU 50 6.970 -7.759 -0.076 1011 HD21 LEU 50 HD21 LEU 50 8.463 -9.672 -0.287 1012 HD22 LEU 50 HD22 LEU 50 9.646 -10.040 0.968 1013 HD23 LEU 50 HD23 LEU 50 9.956 -8.738 -0.182 1014 H CYS 51 HN CYS 51 12.192 -8.742 2.314 1015 HA CYS 51 HA CYS 51 13.720 -7.304 4.379 1016 HB2 CYS 51 HB2 CYS 51 15.613 -8.821 3.762 1017 HB3 CYS 51 HB1 CYS 51 14.241 -9.665 4.475 1018 HG CYS 51 HG CYS 51 14.313 -9.473 1.107 1019 H ILE 52 HN ILE 52 15.206 -5.801 3.674 1020 HA ILE 52 HA ILE 52 14.940 -4.973 0.918 1021 HB ILE 52 HB ILE 52 16.408 -3.760 3.253 1022 HG12 ILE 52 HG12 ILE 52 13.919 -3.030 1.707 1023 HG13 ILE 52 HG11 ILE 52 14.029 -3.496 3.402 1024 HG21 ILE 52 HG21 ILE 52 16.213 -2.709 0.432 1025 HG22 ILE 52 HG22 ILE 52 17.678 -3.281 1.232 1026 HG23 ILE 52 HG23 ILE 52 16.867 -1.824 1.810 1027 HD11 ILE 52 HD11 ILE 52 13.664 -1.088 3.078 1028 HD12 ILE 52 HD12 ILE 52 15.204 -0.989 2.229 1029 HD13 ILE 52 HD13 ILE 52 15.166 -1.440 3.933 1030 H VAL 53 HN VAL 53 16.273 -5.457 -0.659 1031 HA VAL 53 HA VAL 53 18.716 -6.936 -0.069 1032 HB VAL 53 HB VAL 53 18.692 -7.125 -2.683 1033 HG11 VAL 53 HG11 VAL 53 17.237 -9.101 -2.525 1034 HG12 VAL 53 HG12 VAL 53 16.697 -8.559 -0.936 1035 HG13 VAL 53 HG13 VAL 53 18.385 -9.006 -1.190 1036 HG21 VAL 53 HG21 VAL 53 15.795 -6.478 -2.130 1037 HG22 VAL 53 HG22 VAL 53 16.461 -7.049 -3.662 1038 HG23 VAL 53 HG23 VAL 53 16.920 -5.465 -3.036 1039 H TYR 54 HN TYR 54 20.738 -6.183 -0.549 1040 HA TYR 54 HA TYR 54 20.848 -3.423 -1.548 1041 HB2 TYR 54 HB2 TYR 54 22.517 -4.883 0.477 1042 HB3 TYR 54 HB1 TYR 54 23.138 -3.447 -0.337 1043 HD1 TYR 54 HD2 TYR 54 20.523 -4.704 1.948 1044 HD2 TYR 54 HD1 TYR 54 22.322 -1.273 0.195 1045 HE1 TYR 54 HE2 TYR 54 19.296 -3.265 3.521 1046 HE2 TYR 54 HE1 TYR 54 21.102 0.173 1.758 1047 HH TYR 54 HH TYR 54 19.033 -1.168 4.297 1048 H ARG 55 HN ARG 55 21.438 -3.310 -3.567 1049 HA ARG 55 HA ARG 55 23.249 -5.304 -4.705 1050 HB2 ARG 55 HB2 ARG 55 21.026 -4.458 -5.784 1051 HB3 ARG 55 HB1 ARG 55 21.970 -3.047 -6.230 1052 HG2 ARG 55 HG2 ARG 55 22.927 -5.788 -6.945 1053 HG3 ARG 55 HG1 ARG 55 21.693 -4.990 -7.916 1054 HD2 ARG 55 HD2 ARG 55 24.506 -4.058 -7.374 1055 HD3 ARG 55 HD1 ARG 55 23.814 -4.552 -8.916 1056 HE ARG 55 HE ARG 55 22.312 -2.398 -8.021 1057 HH11 ARG 55 HH11 ARG 55 25.603 -3.042 -9.003 1058 HH12 ARG 55 HH12 ARG 55 25.913 -1.412 -9.506 1059 HH21 ARG 55 HH21 ARG 55 22.698 -0.240 -8.700 1060 HH22 ARG 55 HH22 ARG 55 24.261 0.187 -9.336 1061 H ASP 56 HN ASP 56 25.340 -4.888 -4.852 1062 HA ASP 56 HA ASP 56 27.335 -3.831 -5.095 1063 HB2 ASP 56 HB2 ASP 56 26.263 -2.572 -6.939 1064 HB3 ASP 56 HB1 ASP 56 25.724 -1.365 -5.780 1065 H GLY 57 HN GLY 57 25.305 -1.201 -3.874 1066 HA2 GLY 57 HA2 GLY 57 26.065 -1.434 -1.172 1067 HA3 GLY 57 HA1 GLY 57 27.121 -0.272 -1.965 1068 H ASN 58 HN ASN 58 23.835 -0.727 -2.993 1069 HA ASN 58 HA ASN 58 23.057 1.783 -1.673 1070 HB2 ASN 58 HB2 ASN 58 23.679 2.095 -4.113 1071 HB3 ASN 58 HB1 ASN 58 22.328 1.043 -4.518 1072 HD21 ASN 58 HD21 ASN 58 20.361 1.926 -4.721 1073 HD22 ASN 58 HD22 ASN 58 19.963 3.556 -4.310 1074 HA PRO 59 HA PRO 59 19.516 -0.547 -0.347 1075 HB2 PRO 59 HB2 PRO 59 17.661 1.502 -0.278 1076 HB3 PRO 59 HB1 PRO 59 18.849 1.180 0.999 1077 HG2 PRO 59 HG2 PRO 59 18.941 3.179 -1.201 1078 HG3 PRO 59 HG1 PRO 59 19.434 3.339 0.497 1079 HD2 PRO 59 HD2 PRO 59 21.239 2.983 -1.443 1080 HD3 PRO 59 HD1 PRO 59 21.442 2.251 0.161 1081 H TYR 60 HN TYR 60 18.440 -1.887 -1.624 1082 HA TYR 60 HA TYR 60 16.949 -0.775 -3.902 1083 HB2 TYR 60 HB2 TYR 60 18.718 -3.191 -3.748 1084 HB3 TYR 60 HB1 TYR 60 17.336 -3.203 -4.838 1085 HD1 TYR 60 HD2 TYR 60 20.574 -1.608 -4.110 1086 HD2 TYR 60 HD1 TYR 60 17.336 -1.908 -6.846 1087 HE1 TYR 60 HE2 TYR 60 21.905 -0.434 -5.808 1088 HE2 TYR 60 HE1 TYR 60 18.659 -0.737 -8.553 1089 HH TYR 60 HH TYR 60 20.602 0.876 -8.590 1090 H ALA 61 HN ALA 61 15.018 -1.980 -4.451 1091 HA ALA 61 HA ALA 61 14.004 -3.620 -2.228 1092 HB1 ALA 61 HB1 ALA 61 11.762 -2.529 -2.647 1093 HB2 ALA 61 HB2 ALA 61 12.622 -1.336 -3.622 1094 HB3 ALA 61 HB3 ALA 61 12.989 -1.498 -1.904 1095 H VAL 62 HN VAL 62 11.691 -4.461 -3.085 1096 HA VAL 62 HA VAL 62 12.187 -5.668 -5.725 1097 HB VAL 62 HB VAL 62 10.472 -6.955 -3.614 1098 HG11 VAL 62 HG11 VAL 62 11.024 -8.995 -4.863 1099 HG12 VAL 62 HG12 VAL 62 11.995 -8.037 -5.978 1100 HG13 VAL 62 HG13 VAL 62 10.254 -7.779 -5.883 1101 HG21 VAL 62 HG21 VAL 62 12.660 -6.624 -2.575 1102 HG22 VAL 62 HG22 VAL 62 13.439 -7.382 -3.963 1103 HG23 VAL 62 HG23 VAL 62 12.375 -8.329 -2.925 1104 H CYS 63 HN CYS 63 10.810 -4.867 -7.179 1105 HA CYS 63 HA CYS 63 8.500 -3.373 -6.444 1106 HB2 CYS 63 HB2 CYS 63 8.114 -3.372 -8.952 1107 HB3 CYS 63 HB1 CYS 63 9.646 -2.696 -8.408 1108 H ASP 64 HN ASP 64 6.375 -3.813 -7.546 1109 HA ASP 64 HA ASP 64 5.198 -6.131 -6.554 1110 HB2 ASP 64 HB2 ASP 64 3.948 -4.102 -7.049 1111 HB3 ASP 64 HB1 ASP 64 4.262 -4.300 -8.768 1112 H LYS 65 HN LYS 65 6.881 -5.613 -9.491 1113 HA LYS 65 HA LYS 65 5.745 -7.834 -10.912 1114 HB2 LYS 65 HB2 LYS 65 8.239 -6.226 -11.491 1115 HB3 LYS 65 HB1 LYS 65 7.459 -7.349 -12.595 1116 HG2 LYS 65 HG2 LYS 65 6.540 -5.454 -13.399 1117 HG3 LYS 65 HG1 LYS 65 5.388 -5.726 -12.092 1118 HD2 LYS 65 HD2 LYS 65 5.920 -3.534 -11.713 1119 HD3 LYS 65 HD1 LYS 65 7.133 -4.323 -10.709 1120 HE2 LYS 65 HE2 LYS 65 7.634 -3.473 -13.556 1121 HE3 LYS 65 HE1 LYS 65 7.973 -2.445 -12.165 1122 HZ1 LYS 65 HZ1 LYS 65 9.957 -3.603 -12.826 1123 HZ2 LYS 65 HZ2 LYS 65 9.180 -5.096 -12.727 1124 HZ3 LYS 65 HZ3 LYS 65 9.458 -4.196 -11.321 1125 H CYS 66 HN CYS 66 8.961 -7.155 -9.525 1126 HA CYS 66 HA CYS 66 9.862 -9.833 -9.915 1127 HB2 CYS 66 HB2 CYS 66 11.111 -7.691 -8.203 1128 HB3 CYS 66 HB1 CYS 66 11.901 -9.106 -8.898 1129 H LEU 67 HN LEU 67 8.046 -8.328 -7.421 1130 HA LEU 67 HA LEU 67 8.860 -9.645 -5.138 1131 HB2 LEU 67 HB2 LEU 67 6.308 -8.465 -6.050 1132 HB3 LEU 67 HB1 LEU 67 6.204 -9.588 -4.708 1133 HG LEU 67 HG LEU 67 7.970 -7.136 -4.734 1134 HD11 LEU 67 HD11 LEU 67 5.227 -7.613 -3.592 1135 HD12 LEU 67 HD12 LEU 67 5.721 -6.371 -4.741 1136 HD13 LEU 67 HD13 LEU 67 6.277 -6.297 -3.071 1137 HD21 LEU 67 HD21 LEU 67 7.154 -8.970 -2.486 1138 HD22 LEU 67 HD22 LEU 67 8.222 -7.570 -2.367 1139 HD23 LEU 67 HD23 LEU 67 8.723 -8.990 -3.286 1140 H LYS 68 HN LYS 68 6.784 -10.905 -7.714 1141 HA LYS 68 HA LYS 68 6.239 -13.328 -6.234 1142 HB2 LYS 68 HB2 LYS 68 5.241 -14.084 -8.480 1143 HB3 LYS 68 HB1 LYS 68 4.439 -12.807 -7.585 1144 HG2 LYS 68 HG2 LYS 68 6.410 -11.861 -9.528 1145 HG3 LYS 68 HG1 LYS 68 5.039 -12.728 -10.224 1146 HD2 LYS 68 HD2 LYS 68 3.637 -11.216 -8.624 1147 HD3 LYS 68 HD1 LYS 68 5.079 -10.198 -8.638 1148 HE2 LYS 68 HE2 LYS 68 3.831 -9.320 -10.378 1149 HE3 LYS 68 HE1 LYS 68 4.918 -10.429 -11.211 1150 HZ1 LYS 68 HZ1 LYS 68 2.622 -10.604 -11.981 1151 HZ2 LYS 68 HZ2 LYS 68 2.120 -11.055 -10.434 1152 HZ3 LYS 68 HZ3 LYS 68 3.161 -12.058 -11.312 1153 H PHE 69 HN PHE 69 8.805 -12.207 -8.052 1154 HA PHE 69 HA PHE 69 9.552 -14.683 -9.286 1155 HB2 PHE 69 HB2 PHE 69 10.904 -12.027 -8.922 1156 HB3 PHE 69 HB1 PHE 69 11.824 -13.417 -9.478 1157 HD1 PHE 69 HD1 PHE 69 8.355 -12.332 -10.310 1158 HD2 PHE 69 HD2 PHE 69 12.315 -13.047 -11.697 1159 HE1 PHE 69 HE1 PHE 69 7.624 -11.881 -12.615 1160 HE2 PHE 69 HE2 PHE 69 11.586 -12.601 -14.002 1161 HZ PHE 69 HZ PHE 69 9.243 -12.017 -14.464 1162 H TYR 70 HN TYR 70 10.722 -12.864 -6.450 1163 HA TYR 70 HA TYR 70 11.724 -15.391 -5.350 1164 HB2 TYR 70 HB2 TYR 70 13.303 -12.831 -5.631 1165 HB3 TYR 70 HB1 TYR 70 13.768 -14.132 -4.539 1166 HD1 TYR 70 HD2 TYR 70 14.292 -16.405 -5.523 1167 HD2 TYR 70 HD1 TYR 70 13.847 -12.917 -7.911 1168 HE1 TYR 70 HE2 TYR 70 15.496 -17.514 -7.359 1169 HE2 TYR 70 HE1 TYR 70 15.045 -14.013 -9.755 1170 HH TYR 70 HH TYR 70 15.605 -17.309 -9.874
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