NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24820 | 2k4y | 15812 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 0.724 7.327 13.665 2 H2 MET 1 H2 MET 1 1.101 6.100 12.564 3 H3 MET 1 H3 MET 1 0.638 7.626 11.993 4 HA MET 1 HA MET 1 2.937 7.544 11.721 5 HB2 MET 1 2HB MET 1 2.177 9.019 14.240 6 HB3 MET 1 1HB MET 1 3.781 9.137 13.531 7 HG2 MET 1 2HG MET 1 2.784 10.000 11.464 8 HG3 MET 1 1HG MET 1 1.190 9.916 12.213 9 HE1 MET 1 2HE MET 1 0.895 12.492 11.512 10 HE2 MET 1 3HE MET 1 2.541 12.588 10.885 11 HE3 MET 1 1HE MET 1 1.968 13.783 12.050 12 H THR 2 HN THR 2 4.053 5.713 11.873 13 HA THR 2 HA THR 2 5.437 5.193 14.379 14 HB THR 2 HB THR 2 5.094 2.660 13.874 15 HG1 THR 2 1HG THR 2 3.795 2.337 12.231 16 HG21 THR 2 3HG2 THR 2 3.151 2.554 15.334 17 HG22 THR 2 1HG2 THR 2 2.808 4.258 15.033 18 HG23 THR 2 2HG2 THR 2 4.273 3.792 15.899 19 H LYS 3 HN LYS 3 7.113 3.274 13.826 20 HA LYS 3 HA LYS 3 8.639 4.013 11.559 21 HB2 LYS 3 2HB LYS 3 8.748 1.846 13.582 22 HB3 LYS 3 1HB LYS 3 9.535 1.503 12.048 23 HG2 LYS 3 2HG LYS 3 11.081 2.423 13.719 24 HG3 LYS 3 1HG LYS 3 10.950 3.448 12.289 25 HD2 LYS 3 2HD LYS 3 9.275 4.825 13.554 26 HD3 LYS 3 1HD LYS 3 9.677 3.881 14.987 27 HE2 LYS 3 2HE LYS 3 11.635 5.511 13.372 28 HE3 LYS 3 1HE LYS 3 10.887 6.026 14.882 29 HZ1 LYS 3 3HZ LYS 3 11.920 4.033 15.929 30 HZ2 LYS 3 1HZ LYS 3 13.028 5.194 15.381 31 HZ3 LYS 3 2HZ LYS 3 12.780 3.774 14.487 32 H GLY 4 HN GLY 4 8.094 3.739 9.538 33 HA2 GLY 4 2HA GLY 4 5.776 2.230 8.868 34 HA3 GLY 4 1HA GLY 4 6.790 3.127 7.753 35 H ILE 5 HN ILE 5 5.500 0.397 7.792 36 HA ILE 5 HA ILE 5 7.890 -1.154 7.058 37 HB ILE 5 HB ILE 5 6.410 -3.128 7.033 38 HG12 ILE 5 2HG1 ILE 5 4.295 -1.267 8.148 39 HG13 ILE 5 1HG1 ILE 5 4.301 -1.914 6.511 40 HG21 ILE 5 1HG2 ILE 5 6.112 -3.341 9.445 41 HG22 ILE 5 2HG2 ILE 5 6.296 -1.597 9.630 42 HG23 ILE 5 3HG2 ILE 5 7.652 -2.571 9.062 43 HD11 ILE 5 3HD1 ILE 5 2.780 -3.169 7.880 44 HD12 ILE 5 1HD1 ILE 5 4.050 -3.490 9.060 45 HD13 ILE 5 2HD1 ILE 5 4.152 -4.188 7.444 46 H GLY 6 HN GLY 6 7.285 -2.677 5.089 47 HA2 GLY 6 2HA GLY 6 6.500 -0.879 2.965 48 HA3 GLY 6 1HA GLY 6 7.063 -2.532 2.780 49 H LEU 7 HN LEU 7 4.760 -1.110 1.605 50 HA LEU 7 HA LEU 7 2.338 -1.975 2.738 51 HB2 LEU 7 2HB LEU 7 2.561 -0.217 1.030 52 HB3 LEU 7 1HB LEU 7 3.009 -1.428 -0.153 53 HG LEU 7 HG LEU 7 0.784 -2.428 -0.006 54 HD11 LEU 7 1HD1 LEU 7 -0.983 -1.300 1.270 55 HD12 LEU 7 2HD1 LEU 7 0.220 -0.202 1.949 56 HD13 LEU 7 3HD1 LEU 7 0.288 -1.925 2.321 57 HD21 LEU 7 3HD2 LEU 7 1.169 -0.675 -1.638 58 HD22 LEU 7 1HD2 LEU 7 0.771 0.556 -0.438 59 HD23 LEU 7 2HD2 LEU 7 -0.471 -0.564 -0.998 60 H ASN 8 HN ASN 8 4.762 -3.675 1.089 61 HA ASN 8 HA ASN 8 3.181 -5.833 0.065 62 HB2 ASN 8 2HB ASN 8 5.299 -6.889 -0.430 63 HB3 ASN 8 1HB ASN 8 5.428 -5.178 -0.831 64 HD21 ASN 8 1HD2 ASN 8 6.639 -3.814 0.554 65 HD22 ASN 8 2HD2 ASN 8 7.842 -4.455 1.625 66 H GLU 9 HN GLU 9 4.121 -4.932 3.156 67 HA GLU 9 HA GLU 9 4.257 -7.675 4.155 68 HB2 GLU 9 2HB GLU 9 4.931 -5.039 5.468 69 HB3 GLU 9 1HB GLU 9 5.129 -6.615 6.205 70 HG2 GLU 9 2HG GLU 9 6.792 -7.229 4.603 71 HG3 GLU 9 1HG GLU 9 6.497 -5.765 3.673 72 H VAL 10 HN VAL 10 1.888 -5.719 3.422 73 HA VAL 10 HA VAL 10 0.375 -6.003 5.926 74 HB VAL 10 HB VAL 10 -0.462 -4.440 3.478 75 HG11 VAL 10 1HG1 VAL 10 -2.262 -4.984 5.017 76 HG12 VAL 10 2HG1 VAL 10 -1.922 -3.254 5.034 77 HG13 VAL 10 3HG1 VAL 10 -1.351 -4.277 6.351 78 HG21 VAL 10 3HG2 VAL 10 1.049 -3.442 5.890 79 HG22 VAL 10 1HG2 VAL 10 0.336 -2.420 4.641 80 HG23 VAL 10 2HG2 VAL 10 1.649 -3.524 4.234 81 H GLU 11 HN GLU 11 -1.921 -6.713 5.679 82 HA GLU 11 HA GLU 11 -2.092 -8.784 3.599 83 HB2 GLU 11 2HB GLU 11 -1.876 -9.535 6.018 84 HB3 GLU 11 1HB GLU 11 -3.479 -8.865 6.281 85 HG2 GLU 11 2HG GLU 11 -4.515 -10.507 5.073 86 HG3 GLU 11 1HG GLU 11 -3.098 -10.817 4.071 87 H ILE 12 HN ILE 12 -4.699 -9.480 3.697 88 HA ILE 12 HA ILE 12 -5.760 -7.478 2.013 89 HB ILE 12 HB ILE 12 -7.716 -8.921 1.797 90 HG12 ILE 12 2HG1 ILE 12 -6.412 -10.622 3.936 91 HG13 ILE 12 1HG1 ILE 12 -7.852 -9.638 4.167 92 HG21 ILE 12 1HG2 ILE 12 -5.103 -10.426 1.784 93 HG22 ILE 12 2HG2 ILE 12 -5.731 -9.410 0.487 94 HG23 ILE 12 3HG2 ILE 12 -6.566 -10.901 0.921 95 HD11 ILE 12 3HD1 ILE 12 -8.420 -11.976 3.862 96 HD12 ILE 12 1HD1 ILE 12 -7.603 -11.984 2.299 97 HD13 ILE 12 2HD1 ILE 12 -9.046 -10.998 2.535 98 H LYS 13 HN LYS 13 -7.573 -6.222 2.184 99 HA LYS 13 HA LYS 13 -9.046 -4.805 3.115 100 HB2 LYS 13 2HB LYS 13 -9.649 -7.271 4.745 101 HB3 LYS 13 1HB LYS 13 -10.674 -5.840 4.696 102 HG2 LYS 13 2HG LYS 13 -10.886 -6.133 2.242 103 HG3 LYS 13 1HG LYS 13 -9.974 -7.638 2.384 104 HD2 LYS 13 2HD LYS 13 -11.689 -8.542 3.866 105 HD3 LYS 13 1HD LYS 13 -12.600 -7.035 3.741 106 HE2 LYS 13 2HE LYS 13 -11.936 -8.899 1.467 107 HE3 LYS 13 1HE LYS 13 -13.503 -8.766 2.262 108 HZ1 LYS 13 3HZ LYS 13 -12.154 -6.800 0.506 109 HZ2 LYS 13 1HZ LYS 13 -13.396 -6.329 1.562 110 HZ3 LYS 13 2HZ LYS 13 -13.698 -7.473 0.356 111 H SER 14 HN SER 14 -6.605 -4.248 4.031 112 HA SER 14 HA SER 14 -7.216 -3.330 6.755 113 HB2 SER 14 2HB SER 14 -4.474 -4.042 5.685 114 HB3 SER 14 1HB SER 14 -4.840 -3.467 7.310 115 HG SER 14 HG SER 14 -5.975 -5.829 6.229 116 H LYS 15 HN LYS 15 -6.359 -1.227 7.270 117 HA LYS 15 HA LYS 15 -5.909 0.409 4.875 118 HB2 LYS 15 2HB LYS 15 -7.286 1.095 7.467 119 HB3 LYS 15 1HB LYS 15 -6.771 2.314 6.310 120 HG2 LYS 15 2HG LYS 15 -8.167 1.130 4.596 121 HG3 LYS 15 1HG LYS 15 -8.810 0.147 5.914 122 HD2 LYS 15 2HD LYS 15 -9.646 2.137 7.023 123 HD3 LYS 15 1HD LYS 15 -8.930 3.157 5.774 124 HE2 LYS 15 2HE LYS 15 -10.363 2.003 4.099 125 HE3 LYS 15 1HE LYS 15 -11.155 1.154 5.426 126 HZ1 LYS 15 3HZ LYS 15 -12.392 3.120 4.712 127 HZ2 LYS 15 1HZ LYS 15 -11.062 4.104 5.090 128 HZ3 LYS 15 2HZ LYS 15 -11.879 3.266 6.320 129 H VAL 16 HN VAL 16 -4.126 1.495 4.702 130 HA VAL 16 HA VAL 16 -2.537 2.139 7.082 131 HB VAL 16 HB VAL 16 -0.450 1.547 5.798 132 HG11 VAL 16 1HG1 VAL 16 -0.573 -0.858 6.271 133 HG12 VAL 16 2HG1 VAL 16 -2.325 -0.732 6.432 134 HG13 VAL 16 3HG1 VAL 16 -1.272 0.099 7.577 135 HG21 VAL 16 3HG2 VAL 16 -1.429 1.495 3.565 136 HG22 VAL 16 1HG2 VAL 16 -2.408 0.101 4.017 137 HG23 VAL 16 2HG2 VAL 16 -0.652 -0.043 3.946 138 H LYS 17 HN LYS 17 -1.129 3.905 6.788 139 HA LYS 17 HA LYS 17 -1.986 5.651 4.591 140 HB2 LYS 17 2HB LYS 17 -2.502 6.518 6.772 141 HB3 LYS 17 1HB LYS 17 -0.856 6.281 7.306 142 HG2 LYS 17 2HG LYS 17 -1.245 8.049 4.978 143 HG3 LYS 17 1HG LYS 17 -1.834 8.641 6.533 144 HD2 LYS 17 2HD LYS 17 0.435 8.096 7.474 145 HD3 LYS 17 1HD LYS 17 0.968 7.793 5.819 146 HE2 LYS 17 2HE LYS 17 1.547 10.052 6.528 147 HE3 LYS 17 1HE LYS 17 0.382 10.080 5.205 148 HZ1 LYS 17 3HZ LYS 17 -1.365 10.595 6.712 149 HZ2 LYS 17 1HZ LYS 17 -0.094 11.664 7.043 150 HZ3 LYS 17 2HZ LYS 17 -0.379 10.339 8.067 151 H VAL 18 HN VAL 18 -0.549 6.649 3.319 152 HA VAL 18 HA VAL 18 2.008 5.354 3.055 153 HB VAL 18 HB VAL 18 0.894 7.677 1.464 154 HG11 VAL 18 1HG1 VAL 18 2.566 7.073 -0.207 155 HG12 VAL 18 2HG1 VAL 18 3.171 5.795 0.845 156 HG13 VAL 18 3HG1 VAL 18 3.334 7.483 1.328 157 HG21 VAL 18 3HG2 VAL 18 0.308 6.014 -0.219 158 HG22 VAL 18 1HG2 VAL 18 -0.524 5.693 1.302 159 HG23 VAL 18 2HG2 VAL 18 0.879 4.726 0.842 160 H ILE 19 HN ILE 19 3.224 5.907 4.806 161 HA ILE 19 HA ILE 19 3.698 8.512 5.754 162 HB ILE 19 HB ILE 19 5.728 6.286 5.768 163 HG12 ILE 19 2HG1 ILE 19 3.425 6.728 7.678 164 HG13 ILE 19 1HG1 ILE 19 3.626 5.365 6.584 165 HG21 ILE 19 1HG2 ILE 19 6.448 7.346 7.865 166 HG22 ILE 19 2HG2 ILE 19 5.218 8.590 7.646 167 HG23 ILE 19 3HG2 ILE 19 6.548 8.452 6.495 168 HD11 ILE 19 3HD1 ILE 19 5.624 4.680 7.805 169 HD12 ILE 19 1HD1 ILE 19 4.209 4.753 8.853 170 HD13 ILE 19 2HD1 ILE 19 5.414 6.040 8.908 171 H GLY 20 HN GLY 20 5.632 6.458 3.583 172 HA2 GLY 20 2HA GLY 20 6.441 8.754 2.051 173 HA3 GLY 20 1HA GLY 20 7.729 8.081 3.034 174 H ILE 21 HN ILE 21 8.482 8.011 0.723 175 HA ILE 21 HA ILE 21 7.895 5.380 -0.458 176 HB ILE 21 HB ILE 21 8.549 7.849 -2.078 177 HG12 ILE 21 2HG1 ILE 21 5.821 6.622 -1.624 178 HG13 ILE 21 1HG1 ILE 21 6.369 8.142 -0.927 179 HG21 ILE 21 1HG2 ILE 21 7.412 5.170 -2.869 180 HG22 ILE 21 2HG2 ILE 21 9.073 5.701 -3.125 181 HG23 ILE 21 3HG2 ILE 21 7.749 6.513 -3.960 182 HD11 ILE 21 3HD1 ILE 21 4.921 8.491 -2.854 183 HD12 ILE 21 1HD1 ILE 21 6.040 7.578 -3.868 184 HD13 ILE 21 2HD1 ILE 21 6.545 9.109 -3.151 185 H VAL 22 HN VAL 22 9.781 4.589 -1.788 186 HA VAL 22 HA VAL 22 12.287 5.413 -0.501 187 HB VAL 22 HB VAL 22 11.737 2.944 -2.161 188 HG11 VAL 22 1HG1 VAL 22 13.882 2.143 -1.295 189 HG12 VAL 22 2HG1 VAL 22 14.123 3.682 -0.468 190 HG13 VAL 22 3HG1 VAL 22 14.079 3.627 -2.231 191 HG21 VAL 22 3HG2 VAL 22 11.933 3.281 0.831 192 HG22 VAL 22 1HG2 VAL 22 11.830 1.737 -0.017 193 HG23 VAL 22 2HG2 VAL 22 10.482 2.873 -0.088 194 HA PRO 23 HA PRO 23 12.297 7.785 -4.334 195 HB2 PRO 23 2HB PRO 23 14.402 9.389 -3.655 196 HB3 PRO 23 1HB PRO 23 12.743 9.652 -3.106 197 HG2 PRO 23 2HG PRO 23 15.022 8.330 -1.686 198 HG3 PRO 23 1HG PRO 23 13.841 9.498 -1.062 199 HD2 PRO 23 2HD PRO 23 13.604 6.875 -0.576 200 HD3 PRO 23 1HD PRO 23 12.179 7.898 -0.857 201 H GLU 24 HN GLU 24 13.707 8.244 -6.060 202 HA GLU 24 HA GLU 24 15.278 7.825 -7.626 203 HB2 GLU 24 2HB GLU 24 16.741 8.408 -5.562 204 HB3 GLU 24 1HB GLU 24 17.109 6.690 -5.542 205 HG2 GLU 24 2HG GLU 24 17.952 6.846 -7.831 206 HG3 GLU 24 1HG GLU 24 17.596 8.573 -7.837 207 H SER 25 HN SER 25 13.655 5.479 -6.119 208 HA SER 25 HA SER 25 15.035 3.153 -7.008 209 HB2 SER 25 2HB SER 25 12.471 3.807 -5.678 210 HB3 SER 25 1HB SER 25 12.513 2.305 -6.589 211 HG SER 25 HG SER 25 13.201 2.387 -4.241 212 H LYS 26 HN LYS 26 13.499 5.492 -8.691 213 HA LYS 26 HA LYS 26 12.637 5.736 -10.759 214 HB2 LYS 26 2HB LYS 26 14.361 4.196 -11.562 215 HB3 LYS 26 1HB LYS 26 13.334 2.821 -11.173 216 HG2 LYS 26 2HG LYS 26 11.708 3.526 -12.817 217 HG3 LYS 26 1HG LYS 26 12.648 4.977 -13.160 218 HD2 LYS 26 2HD LYS 26 14.485 3.604 -13.990 219 HD3 LYS 26 1HD LYS 26 13.572 2.139 -13.615 220 HE2 LYS 26 2HE LYS 26 11.849 2.785 -15.202 221 HE3 LYS 26 1HE LYS 26 12.698 4.293 -15.535 222 HZ1 LYS 26 3HZ LYS 26 14.514 3.067 -16.475 223 HZ2 LYS 26 1HZ LYS 26 13.072 2.586 -17.230 224 HZ3 LYS 26 2HZ LYS 26 13.797 1.586 -16.063 225 H VAL 27 HN VAL 27 11.589 2.649 -9.281 226 HA VAL 27 HA VAL 27 8.948 2.792 -10.307 227 HB VAL 27 HB VAL 27 8.332 1.195 -8.531 228 HG11 VAL 27 1HG1 VAL 27 10.943 0.561 -9.902 229 HG12 VAL 27 2HG1 VAL 27 9.327 0.349 -10.580 230 HG13 VAL 27 3HG1 VAL 27 9.839 -0.622 -9.199 231 HG21 VAL 27 3HG2 VAL 27 10.041 0.361 -6.982 232 HG22 VAL 27 1HG2 VAL 27 9.690 2.068 -6.709 233 HG23 VAL 27 2HG2 VAL 27 11.160 1.594 -7.560 234 H ARG 28 HN ARG 28 10.592 4.488 -7.846 235 HA ARG 28 HA ARG 28 8.516 5.450 -6.255 236 HB2 ARG 28 2HB ARG 28 11.018 5.814 -5.996 237 HB3 ARG 28 1HB ARG 28 10.897 7.040 -7.244 238 HG2 ARG 28 2HG ARG 28 9.230 7.219 -4.764 239 HG3 ARG 28 1HG ARG 28 10.911 7.752 -4.771 240 HD2 ARG 28 2HD ARG 28 10.316 9.195 -6.754 241 HD3 ARG 28 1HD ARG 28 8.629 8.796 -6.432 242 HE ARG 28 HE ARG 28 9.833 9.764 -4.074 243 HH11 ARG 28 1HH1 ARG 28 8.774 10.875 -7.217 244 HH12 ARG 28 2HH1 ARG 28 8.424 12.490 -6.677 245 HH21 ARG 28 1HH2 ARG 28 9.452 11.890 -3.363 246 HH22 ARG 28 2HH2 ARG 28 8.848 13.080 -4.485 247 H ARG 29 HN ARG 29 9.666 6.427 -9.444 248 HA ARG 29 HA ARG 29 7.886 8.580 -9.870 249 HB2 ARG 29 2HB ARG 29 9.690 8.453 -11.374 250 HB3 ARG 29 1HB ARG 29 9.444 6.742 -11.674 251 HG2 ARG 29 2HG ARG 29 8.807 7.916 -13.634 252 HG3 ARG 29 1HG ARG 29 7.333 7.327 -12.867 253 HD2 ARG 29 2HD ARG 29 6.820 9.513 -13.502 254 HD3 ARG 29 1HD ARG 29 7.201 9.643 -11.786 255 HE ARG 29 HE ARG 29 9.561 10.210 -12.824 256 HH11 ARG 29 1HH1 ARG 29 6.405 11.234 -13.931 257 HH12 ARG 29 2HH1 ARG 29 6.957 12.784 -14.492 258 HH21 ARG 29 1HH2 ARG 29 10.318 12.221 -13.612 259 HH22 ARG 29 2HH2 ARG 29 9.190 13.329 -14.346 260 H LYS 30 HN LYS 30 7.718 5.142 -10.637 261 HA LYS 30 HA LYS 30 5.288 5.043 -11.976 262 HB2 LYS 30 2HB LYS 30 6.949 3.186 -11.730 263 HB3 LYS 30 1HB LYS 30 6.394 2.961 -10.080 264 HG2 LYS 30 2HG LYS 30 4.170 2.371 -10.909 265 HG3 LYS 30 1HG LYS 30 4.729 2.609 -12.567 266 HD2 LYS 30 2HD LYS 30 6.449 0.856 -12.176 267 HD3 LYS 30 1HD LYS 30 5.734 0.562 -10.592 268 HE2 LYS 30 2HE LYS 30 3.605 -0.009 -11.681 269 HE3 LYS 30 1HE LYS 30 4.359 0.244 -13.257 270 HZ1 LYS 30 3HZ LYS 30 4.983 -1.855 -11.257 271 HZ2 LYS 30 1HZ LYS 30 6.017 -1.495 -12.553 272 HZ3 LYS 30 2HZ LYS 30 4.449 -2.058 -12.855 273 H ILE 31 HN ILE 31 5.924 4.664 -8.504 274 HA ILE 31 HA ILE 31 3.279 4.320 -7.644 275 HB ILE 31 HB ILE 31 5.581 5.615 -6.163 276 HG12 ILE 31 2HG1 ILE 31 4.622 2.748 -6.071 277 HG13 ILE 31 1HG1 ILE 31 5.973 3.292 -7.061 278 HG21 ILE 31 1HG2 ILE 31 3.029 4.392 -5.121 279 HG22 ILE 31 2HG2 ILE 31 3.454 6.104 -5.098 280 HG23 ILE 31 3HG2 ILE 31 4.375 4.954 -4.129 281 HD11 ILE 31 3HD1 ILE 31 7.155 3.995 -5.037 282 HD12 ILE 31 1HD1 ILE 31 6.752 2.279 -5.007 283 HD13 ILE 31 2HD1 ILE 31 5.803 3.422 -4.058 284 H MET 32 HN MET 32 5.222 7.283 -7.893 285 HA MET 32 HA MET 32 3.244 9.050 -6.937 286 HB2 MET 32 2HB MET 32 5.891 9.257 -7.602 287 HB3 MET 32 1HB MET 32 5.131 10.147 -8.912 288 HG2 MET 32 2HG MET 32 4.607 10.692 -6.003 289 HG3 MET 32 1HG MET 32 5.840 11.520 -6.950 290 HE1 MET 32 3HE MET 32 3.070 14.263 -6.520 291 HE2 MET 32 1HE MET 32 4.790 13.902 -6.356 292 HE3 MET 32 2HE MET 32 3.612 13.061 -5.347 293 H ASP 33 HN ASP 33 4.049 7.889 -10.152 294 HA ASP 33 HA ASP 33 2.380 9.623 -11.631 295 HB2 ASP 33 2HB ASP 33 4.224 8.341 -12.632 296 HB3 ASP 33 1HB ASP 33 3.364 6.840 -12.309 297 H MET 34 HN MET 34 1.817 6.552 -10.036 298 HA MET 34 HA MET 34 -0.753 6.034 -11.107 299 HB2 MET 34 2HB MET 34 0.917 4.969 -8.943 300 HB3 MET 34 1HB MET 34 -0.807 4.880 -8.616 301 HG2 MET 34 2HG MET 34 -0.011 2.837 -9.634 302 HG3 MET 34 1HG MET 34 -1.152 3.662 -10.691 303 HE1 MET 34 3HE MET 34 0.740 1.303 -11.671 304 HE2 MET 34 1HE MET 34 1.300 1.938 -13.218 305 HE3 MET 34 2HE MET 34 -0.385 2.140 -12.738 306 H GLY 35 HN GLY 35 0.360 8.318 -8.830 307 HA2 GLY 35 2HA GLY 35 -1.080 10.141 -8.236 308 HA3 GLY 35 1HA GLY 35 -2.439 9.027 -8.262 309 H ILE 36 HN ILE 36 0.287 7.704 -6.766 310 HA ILE 36 HA ILE 36 -0.949 8.027 -4.144 311 HB ILE 36 HB ILE 36 1.481 6.391 -4.855 312 HG12 ILE 36 2HG1 ILE 36 -1.387 5.474 -4.568 313 HG13 ILE 36 1HG1 ILE 36 -0.565 5.700 -6.105 314 HG21 ILE 36 1HG2 ILE 36 1.303 6.930 -2.492 315 HG22 ILE 36 2HG2 ILE 36 0.978 5.218 -2.759 316 HG23 ILE 36 3HG2 ILE 36 -0.356 6.332 -2.467 317 HD11 ILE 36 3HD1 ILE 36 0.267 3.757 -3.964 318 HD12 ILE 36 1HD1 ILE 36 1.008 3.944 -5.554 319 HD13 ILE 36 2HD1 ILE 36 -0.649 3.352 -5.414 320 H VAL 37 HN VAL 37 -0.225 9.360 -2.666 321 HA VAL 37 HA VAL 37 2.467 10.497 -2.950 322 HB VAL 37 HB VAL 37 1.646 12.748 -2.434 323 HG11 VAL 37 1HG1 VAL 37 0.578 13.252 -4.586 324 HG12 VAL 37 2HG1 VAL 37 0.294 11.530 -4.841 325 HG13 VAL 37 3HG1 VAL 37 1.943 12.150 -4.773 326 HG21 VAL 37 3HG2 VAL 37 -0.362 12.203 -1.204 327 HG22 VAL 37 1HG2 VAL 37 -1.100 11.520 -2.654 328 HG23 VAL 37 2HG2 VAL 37 -0.764 13.250 -2.565 329 H ARG 38 HN ARG 38 3.073 11.783 -0.975 330 HA ARG 38 HA ARG 38 2.838 10.236 1.356 331 HB2 ARG 38 2HB ARG 38 4.713 11.739 0.992 332 HB3 ARG 38 1HB ARG 38 3.639 13.129 0.993 333 HG2 ARG 38 2HG ARG 38 3.099 12.696 3.349 334 HG3 ARG 38 1HG ARG 38 4.219 11.332 3.341 335 HD2 ARG 38 2HD ARG 38 6.066 12.823 2.829 336 HD3 ARG 38 1HD ARG 38 4.961 14.195 2.747 337 HE ARG 38 HE ARG 38 4.535 13.298 5.238 338 HH11 ARG 38 1HH1 ARG 38 7.470 14.047 3.474 339 HH12 ARG 38 2HH1 ARG 38 8.379 14.438 4.905 340 HH21 ARG 38 1HH2 ARG 38 5.707 13.846 7.106 341 HH22 ARG 38 2HH2 ARG 38 7.370 14.335 6.981 342 H GLY 39 HN GLY 39 0.971 9.896 2.381 343 HA2 GLY 39 2HA GLY 39 -0.453 10.970 4.097 344 HA3 GLY 39 1HA GLY 39 -0.736 12.248 2.927 345 H THR 40 HN THR 40 -0.767 9.733 0.961 346 HA THR 40 HA THR 40 -3.612 9.606 0.824 347 HB THR 40 HB THR 40 -1.705 7.707 -0.533 348 HG1 THR 40 1HG THR 40 -2.140 10.432 -0.929 349 HG21 THR 40 3HG2 THR 40 -3.419 7.702 -2.296 350 HG22 THR 40 1HG2 THR 40 -4.409 8.790 -1.323 351 HG23 THR 40 2HG2 THR 40 -4.072 7.157 -0.752 352 H GLU 41 HN GLU 41 -4.965 7.857 1.222 353 HA GLU 41 HA GLU 41 -4.011 5.944 3.207 354 HB2 GLU 41 2HB GLU 41 -6.756 6.867 2.375 355 HB3 GLU 41 1HB GLU 41 -6.502 5.487 3.424 356 HG2 GLU 41 2HG GLU 41 -5.441 6.881 5.079 357 HG3 GLU 41 1HG GLU 41 -5.553 8.278 4.008 358 H ILE 42 HN ILE 42 -3.886 3.857 2.822 359 HA ILE 42 HA ILE 42 -4.592 2.924 0.124 360 HB ILE 42 HB ILE 42 -2.522 1.917 2.075 361 HG12 ILE 42 2HG1 ILE 42 -1.904 4.006 0.939 362 HG13 ILE 42 1HG1 ILE 42 -0.886 2.665 0.427 363 HG21 ILE 42 1HG2 ILE 42 -1.841 0.363 0.293 364 HG22 ILE 42 2HG2 ILE 42 -3.219 0.887 -0.673 365 HG23 ILE 42 3HG2 ILE 42 -3.482 0.051 0.857 366 HD11 ILE 42 3HD1 ILE 42 -3.202 3.819 -1.113 367 HD12 ILE 42 1HD1 ILE 42 -2.188 2.471 -1.629 368 HD13 ILE 42 2HD1 ILE 42 -1.490 4.079 -1.446 369 H TYR 43 HN TYR 43 -6.303 1.596 0.024 370 HA TYR 43 HA TYR 43 -6.874 -0.088 2.373 371 HB2 TYR 43 2HB TYR 43 -8.700 1.496 1.666 372 HB3 TYR 43 1HB TYR 43 -8.790 0.625 0.141 373 HD1 TYR 43 2HD TYR 43 -8.534 -0.483 3.702 374 HD2 TYR 43 1HD TYR 43 -10.728 -0.647 0.065 375 HE1 TYR 43 2HE TYR 43 -10.090 -2.079 4.726 376 HE2 TYR 43 1HE TYR 43 -12.296 -2.252 1.084 377 HH TYR 43 HH TYR 43 -12.434 -3.809 2.895 378 H ILE 44 HN ILE 44 -6.052 -2.044 2.100 379 HA ILE 44 HA ILE 44 -5.612 -3.176 -0.500 380 HB ILE 44 HB ILE 44 -5.497 -4.509 2.215 381 HG12 ILE 44 2HG1 ILE 44 -3.903 -2.664 2.052 382 HG13 ILE 44 1HG1 ILE 44 -3.061 -4.210 2.033 383 HG21 ILE 44 1HG2 ILE 44 -4.127 -6.212 1.090 384 HG22 ILE 44 2HG2 ILE 44 -4.419 -5.413 -0.454 385 HG23 ILE 44 3HG2 ILE 44 -5.761 -6.135 0.433 386 HD11 ILE 44 3HD1 ILE 44 -2.818 -4.047 -0.392 387 HD12 ILE 44 1HD1 ILE 44 -2.095 -2.666 0.433 388 HD13 ILE 44 2HD1 ILE 44 -3.657 -2.495 -0.368 389 H GLU 45 HN GLU 45 -7.129 -4.141 -1.699 390 HA GLU 45 HA GLU 45 -9.692 -4.822 -0.543 391 HB2 GLU 45 2HB GLU 45 -8.981 -3.937 -3.002 392 HB3 GLU 45 1HB GLU 45 -9.025 -5.665 -3.312 393 HG2 GLU 45 2HG GLU 45 -11.277 -3.951 -2.296 394 HG3 GLU 45 1HG GLU 45 -11.138 -4.690 -3.888 395 H GLY 46 HN GLY 46 -7.116 -6.520 -2.282 396 HA2 GLY 46 2HA GLY 46 -7.151 -8.779 -0.572 397 HA3 GLY 46 1HA GLY 46 -8.028 -9.123 -2.061 398 H LYS 47 HN LYS 47 -5.974 -10.688 -1.810 399 HA LYS 47 HA LYS 47 -3.878 -9.457 -3.484 400 HB2 LYS 47 2HB LYS 47 -3.554 -11.827 -1.626 401 HB3 LYS 47 1HB LYS 47 -2.286 -11.041 -2.552 402 HG2 LYS 47 2HG LYS 47 -2.539 -9.018 -1.224 403 HG3 LYS 47 1HG LYS 47 -3.857 -9.765 -0.321 404 HD2 LYS 47 2HD LYS 47 -1.910 -9.958 1.030 405 HD3 LYS 47 1HD LYS 47 -2.219 -11.562 0.361 406 HE2 LYS 47 2HE LYS 47 -0.552 -11.119 -1.396 407 HE3 LYS 47 1HE LYS 47 -0.209 -9.557 -0.651 408 HZ1 LYS 47 3HZ LYS 47 0.338 -10.867 1.417 409 HZ2 LYS 47 1HZ LYS 47 1.428 -11.027 0.127 410 HZ3 LYS 47 2HZ LYS 47 0.309 -12.259 0.455 411 H ALA 48 HN ALA 48 -2.976 -10.851 -5.126 412 HA ALA 48 HA ALA 48 -4.887 -12.417 -6.494 413 HB1 ALA 48 1HB ALA 48 -3.035 -11.267 -7.622 414 HB2 ALA 48 2HB ALA 48 -3.060 -12.989 -8.004 415 HB3 ALA 48 3HB ALA 48 -1.888 -12.360 -6.844 416 HA PRO 49 HA PRO 49 -4.544 -16.467 -4.701 417 HB2 PRO 49 2HB PRO 49 -4.115 -17.527 -7.439 418 HB3 PRO 49 1HB PRO 49 -5.344 -17.954 -6.244 419 HG2 PRO 49 2HG PRO 49 -5.981 -16.483 -8.366 420 HG3 PRO 49 1HG PRO 49 -6.683 -16.135 -6.775 421 HD2 PRO 49 2HD PRO 49 -4.474 -14.727 -8.221 422 HD3 PRO 49 1HD PRO 49 -5.798 -14.048 -7.251 423 H MET 50 HN MET 50 -2.058 -15.147 -6.633 424 HA MET 50 HA MET 50 -0.177 -17.289 -5.965 425 HB2 MET 50 2HB MET 50 0.277 -14.856 -7.696 426 HB3 MET 50 1HB MET 50 1.322 -16.263 -7.560 427 HG2 MET 50 2HG MET 50 -1.444 -16.195 -8.741 428 HG3 MET 50 1HG MET 50 0.073 -16.317 -9.627 429 HE1 MET 50 3HE MET 50 -2.436 -18.302 -9.961 430 HE2 MET 50 1HE MET 50 -1.590 -19.845 -10.092 431 HE3 MET 50 2HE MET 50 -0.954 -18.419 -10.910 432 H GLY 51 HN GLY 51 -1.329 -14.550 -4.584 433 HA2 GLY 51 2HA GLY 51 -0.527 -13.496 -2.651 434 HA3 GLY 51 1HA GLY 51 1.064 -14.173 -2.964 435 H ASP 52 HN ASP 52 0.557 -13.174 -5.827 436 HA ASP 52 HA ASP 52 0.847 -10.302 -5.570 437 HB2 ASP 52 2HB ASP 52 3.143 -10.912 -5.243 438 HB3 ASP 52 1HB ASP 52 3.075 -12.124 -6.516 439 HA PRO 53 HA PRO 53 1.056 -8.647 -6.829 440 HB2 PRO 53 2HB PRO 53 -0.551 -6.917 -8.084 441 HB3 PRO 53 1HB PRO 53 0.879 -7.588 -8.879 442 HG2 PRO 53 2HG PRO 53 -1.996 -8.364 -9.173 443 HG3 PRO 53 1HG PRO 53 -0.748 -8.196 -10.421 444 HD2 PRO 53 2HD PRO 53 -1.532 -10.594 -9.302 445 HD3 PRO 53 1HD PRO 53 0.034 -10.309 -10.081 446 H ILE 54 HN ILE 54 -0.682 -6.651 -6.228 447 HA ILE 54 HA ILE 54 -2.660 -7.976 -4.481 448 HB ILE 54 HB ILE 54 -1.133 -5.432 -3.874 449 HG12 ILE 54 2HG1 ILE 54 -0.691 -8.209 -2.751 450 HG13 ILE 54 1HG1 ILE 54 0.349 -7.433 -3.939 451 HG21 ILE 54 1HG2 ILE 54 -3.289 -5.555 -2.771 452 HG22 ILE 54 2HG2 ILE 54 -1.993 -5.766 -1.593 453 HG23 ILE 54 3HG2 ILE 54 -2.908 -7.165 -2.158 454 HD11 ILE 54 3HD1 ILE 54 1.302 -7.289 -1.719 455 HD12 ILE 54 1HD1 ILE 54 -0.148 -6.478 -1.128 456 HD13 ILE 54 2HD1 ILE 54 0.884 -5.684 -2.319 457 H ALA 55 HN ALA 55 -4.668 -6.919 -4.224 458 HA ALA 55 HA ALA 55 -5.255 -4.880 -6.250 459 HB1 ALA 55 1HB ALA 55 -7.601 -5.413 -5.858 460 HB2 ALA 55 2HB ALA 55 -7.148 -6.502 -4.546 461 HB3 ALA 55 3HB ALA 55 -6.684 -6.881 -6.205 462 H LEU 56 HN LEU 56 -5.349 -2.809 -5.661 463 HA LEU 56 HA LEU 56 -5.745 -2.190 -2.805 464 HB2 LEU 56 2HB LEU 56 -4.091 -0.733 -4.870 465 HB3 LEU 56 1HB LEU 56 -4.416 -0.126 -3.261 466 HG LEU 56 HG LEU 56 -3.249 -2.238 -2.403 467 HD11 LEU 56 1HD1 LEU 56 -1.616 -3.230 -3.921 468 HD12 LEU 56 2HD1 LEU 56 -2.278 -2.287 -5.256 469 HD13 LEU 56 3HD1 LEU 56 -3.266 -3.517 -4.467 470 HD21 LEU 56 3HD2 LEU 56 -1.725 -0.135 -3.926 471 HD22 LEU 56 1HD2 LEU 56 -1.040 -1.207 -2.703 472 HD23 LEU 56 2HD2 LEU 56 -2.280 -0.037 -2.256 473 H ARG 57 HN ARG 57 -6.952 -0.318 -2.293 474 HA ARG 57 HA ARG 57 -8.181 1.070 -4.572 475 HB2 ARG 57 2HB ARG 57 -9.642 -0.496 -2.936 476 HB3 ARG 57 1HB ARG 57 -9.710 1.010 -2.042 477 HG2 ARG 57 2HG ARG 57 -10.242 1.300 -4.897 478 HG3 ARG 57 1HG ARG 57 -11.411 0.302 -4.034 479 HD2 ARG 57 2HD ARG 57 -10.571 3.021 -3.062 480 HD3 ARG 57 1HD ARG 57 -11.910 2.788 -4.187 481 HE ARG 57 HE ARG 57 -11.832 2.053 -1.365 482 HH11 ARG 57 1HH1 ARG 57 -13.540 1.973 -4.429 483 HH12 ARG 57 2HH1 ARG 57 -15.053 1.489 -3.722 484 HH21 ARG 57 1HH2 ARG 57 -13.813 1.420 -0.432 485 HH22 ARG 57 2HH2 ARG 57 -15.210 1.168 -1.436 486 H LEU 58 HN LEU 58 -7.194 2.912 -4.653 487 HA LEU 58 HA LEU 58 -7.015 4.583 -2.286 488 HB2 LEU 58 2HB LEU 58 -4.665 5.176 -2.681 489 HB3 LEU 58 1HB LEU 58 -4.866 3.508 -2.218 490 HG LEU 58 HG LEU 58 -3.109 3.686 -3.834 491 HD11 LEU 58 1HD1 LEU 58 -4.389 1.676 -3.993 492 HD12 LEU 58 2HD1 LEU 58 -3.880 2.184 -5.603 493 HD13 LEU 58 3HD1 LEU 58 -5.542 2.451 -5.079 494 HD21 LEU 58 3HD2 LEU 58 -3.465 4.476 -6.126 495 HD22 LEU 58 1HD2 LEU 58 -3.683 5.752 -4.927 496 HD23 LEU 58 2HD2 LEU 58 -5.089 4.999 -5.679 497 H ARG 59 HN ARG 59 -6.487 6.827 -2.807 498 HA ARG 59 HA ARG 59 -6.646 8.748 -4.023 499 HB2 ARG 59 2HB ARG 59 -5.568 7.031 -5.852 500 HB3 ARG 59 1HB ARG 59 -7.068 7.461 -6.654 501 HG2 ARG 59 2HG ARG 59 -5.120 9.502 -5.622 502 HG3 ARG 59 1HG ARG 59 -5.043 8.827 -7.249 503 HD2 ARG 59 2HD ARG 59 -7.350 9.631 -7.645 504 HD3 ARG 59 1HD ARG 59 -7.334 10.378 -6.047 505 HE ARG 59 HE ARG 59 -5.178 11.161 -7.819 506 HH11 ARG 59 1HH1 ARG 59 -8.416 11.882 -6.689 507 HH12 ARG 59 2HH1 ARG 59 -8.288 13.584 -7.038 508 HH21 ARG 59 1HH2 ARG 59 -5.022 13.369 -8.306 509 HH22 ARG 59 2HH2 ARG 59 -6.359 14.430 -7.974 510 H GLY 60 HN GLY 60 -8.674 6.260 -5.541 511 HA2 GLY 60 2HA GLY 60 -11.095 7.057 -4.429 512 HA3 GLY 60 1HA GLY 60 -10.924 7.934 -5.944 513 H TYR 61 HN TYR 61 -9.259 5.103 -6.305 514 HA TYR 61 HA TYR 61 -11.560 3.616 -7.298 515 HB2 TYR 61 2HB TYR 61 -10.068 3.319 -9.468 516 HB3 TYR 61 1HB TYR 61 -11.194 4.656 -9.298 517 HD1 TYR 61 2HD TYR 61 -7.610 3.750 -8.851 518 HD2 TYR 61 1HD TYR 61 -10.445 6.867 -9.457 519 HE1 TYR 61 2HE TYR 61 -5.774 5.350 -9.192 520 HE2 TYR 61 1HE TYR 61 -8.617 8.474 -9.798 521 HH TYR 61 HH TYR 61 -5.368 7.491 -10.235 522 H SER 62 HN SER 62 -11.149 1.447 -7.797 523 HA SER 62 HA SER 62 -9.005 0.242 -6.304 524 HB2 SER 62 2HB SER 62 -10.949 -1.248 -8.025 525 HB3 SER 62 1HB SER 62 -10.254 -1.704 -6.479 526 HG SER 62 HG SER 62 -12.355 -1.135 -6.100 527 H LEU 63 HN LEU 63 -7.218 -0.689 -7.142 528 HA LEU 63 HA LEU 63 -7.129 -1.693 -9.819 529 HB2 LEU 63 2HB LEU 63 -4.964 -0.270 -10.258 530 HB3 LEU 63 1HB LEU 63 -6.549 0.338 -10.682 531 HG LEU 63 HG LEU 63 -6.556 1.646 -8.549 532 HD11 LEU 63 1HD1 LEU 63 -4.449 1.990 -7.379 533 HD12 LEU 63 2HD1 LEU 63 -3.671 0.788 -8.409 534 HD13 LEU 63 3HD1 LEU 63 -4.949 0.299 -7.296 535 HD21 LEU 63 3HD2 LEU 63 -5.017 3.358 -9.361 536 HD22 LEU 63 1HD2 LEU 63 -5.954 2.662 -10.683 537 HD23 LEU 63 2HD2 LEU 63 -4.273 2.182 -10.444 538 H SER 64 HN SER 64 -5.085 -2.830 -10.261 539 HA SER 64 HA SER 64 -4.044 -3.877 -7.732 540 HB2 SER 64 2HB SER 64 -5.164 -5.486 -9.230 541 HB3 SER 64 1HB SER 64 -3.969 -5.139 -10.478 542 HG SER 64 HG SER 64 -3.099 -5.927 -7.930 543 H LEU 65 HN LEU 65 -2.112 -3.427 -7.125 544 HA LEU 65 HA LEU 65 -0.053 -2.758 -9.121 545 HB2 LEU 65 2HB LEU 65 -0.569 -1.737 -6.366 546 HB3 LEU 65 1HB LEU 65 1.101 -1.908 -6.865 547 HG LEU 65 HG LEU 65 0.352 0.368 -7.214 548 HD11 LEU 65 1HD1 LEU 65 0.890 0.618 -9.586 549 HD12 LEU 65 2HD1 LEU 65 0.675 -1.117 -9.816 550 HD13 LEU 65 3HD1 LEU 65 1.973 -0.519 -8.784 551 HD21 LEU 65 3HD2 LEU 65 -1.766 -0.835 -8.988 552 HD22 LEU 65 1HD2 LEU 65 -1.410 0.888 -8.846 553 HD23 LEU 65 2HD2 LEU 65 -2.024 -0.004 -7.455 554 H ARG 66 HN ARG 66 2.150 -3.546 -8.553 555 HA ARG 66 HA ARG 66 1.857 -6.319 -7.733 556 HB2 ARG 66 2HB ARG 66 4.113 -4.787 -9.023 557 HB3 ARG 66 1HB ARG 66 4.285 -6.451 -8.488 558 HG2 ARG 66 2HG ARG 66 3.854 -6.439 -10.836 559 HG3 ARG 66 1HG ARG 66 2.433 -7.083 -10.015 560 HD2 ARG 66 2HD ARG 66 1.234 -5.054 -10.324 561 HD3 ARG 66 1HD ARG 66 2.687 -4.200 -10.841 562 HE ARG 66 HE ARG 66 2.624 -5.811 -12.808 563 HH11 ARG 66 1HH1 ARG 66 -0.263 -4.755 -11.126 564 HH12 ARG 66 2HH1 ARG 66 -1.290 -4.905 -12.517 565 HH21 ARG 66 1HH2 ARG 66 1.293 -5.970 -14.658 566 HH22 ARG 66 2HH2 ARG 66 -0.394 -5.546 -14.542 567 H LYS 67 HN LYS 67 3.365 -7.327 -6.286 568 HA LYS 67 HA LYS 67 3.684 -6.030 -3.831 569 HB2 LYS 67 2HB LYS 67 3.604 -8.457 -4.061 570 HB3 LYS 67 1HB LYS 67 5.102 -8.449 -4.972 571 HG2 LYS 67 2HG LYS 67 5.087 -7.364 -2.195 572 HG3 LYS 67 1HG LYS 67 5.067 -9.109 -2.447 573 HD2 LYS 67 2HD LYS 67 7.122 -7.176 -3.520 574 HD3 LYS 67 1HD LYS 67 7.348 -8.294 -2.174 575 HE2 LYS 67 2HE LYS 67 7.060 -10.188 -3.657 576 HE3 LYS 67 1HE LYS 67 6.722 -9.108 -5.011 577 HZ1 LYS 67 3HZ LYS 67 9.037 -10.001 -4.903 578 HZ2 LYS 67 1HZ LYS 67 9.276 -9.075 -3.504 579 HZ3 LYS 67 2HZ LYS 67 8.934 -8.318 -4.984 580 H SER 68 HN SER 68 5.736 -6.183 -6.645 581 HA SER 68 HA SER 68 8.146 -5.288 -5.564 582 HB2 SER 68 2HB SER 68 6.987 -4.698 -8.299 583 HB3 SER 68 1HB SER 68 8.686 -4.555 -7.846 584 HG SER 68 HG SER 68 7.103 -6.907 -7.999 585 H GLU 69 HN GLU 69 5.418 -3.376 -6.874 586 HA GLU 69 HA GLU 69 6.580 -0.854 -6.257 587 HB2 GLU 69 2HB GLU 69 3.711 -1.664 -6.745 588 HB3 GLU 69 1HB GLU 69 4.195 -0.005 -6.436 589 HG2 GLU 69 2HG GLU 69 4.065 -0.093 -8.735 590 HG3 GLU 69 1HG GLU 69 5.785 -0.328 -8.432 591 H ALA 70 HN ALA 70 4.341 -2.993 -4.582 592 HA ALA 70 HA ALA 70 3.742 -1.349 -2.391 593 HB1 ALA 70 1HB ALA 70 3.834 -4.360 -2.527 594 HB2 ALA 70 2HB ALA 70 2.454 -3.344 -2.946 595 HB3 ALA 70 3HB ALA 70 3.029 -3.410 -1.279 596 H LYS 71 HN LYS 71 6.597 -3.097 -3.176 597 HA LYS 71 HA LYS 71 7.578 -3.303 -0.480 598 HB2 LYS 71 2HB LYS 71 8.169 -4.855 -2.405 599 HB3 LYS 71 1HB LYS 71 9.190 -3.561 -3.021 600 HG2 LYS 71 2HG LYS 71 10.430 -3.594 -0.873 601 HG3 LYS 71 1HG LYS 71 9.465 -4.991 -0.390 602 HD2 LYS 71 2HD LYS 71 10.283 -6.190 -2.393 603 HD3 LYS 71 1HD LYS 71 11.331 -4.816 -2.751 604 HE2 LYS 71 2HE LYS 71 11.408 -6.568 -0.301 605 HE3 LYS 71 1HE LYS 71 12.592 -6.523 -1.604 606 HZ1 LYS 71 3HZ LYS 71 13.372 -5.292 0.305 607 HZ2 LYS 71 1HZ LYS 71 11.994 -4.300 0.279 608 HZ3 LYS 71 2HZ LYS 71 13.113 -4.235 -0.995 609 H ASP 72 HN ASP 72 7.486 -0.871 -2.865 610 HA ASP 72 HA ASP 72 9.812 0.535 -1.766 611 HB2 ASP 72 2HB ASP 72 9.277 0.237 -4.303 612 HB3 ASP 72 1HB ASP 72 8.139 1.555 -4.045 613 H ILE 73 HN ILE 73 6.510 0.354 -1.333 614 HA ILE 73 HA ILE 73 6.207 3.152 -0.527 615 HB ILE 73 HB ILE 73 4.118 0.960 -0.563 616 HG12 ILE 73 2HG1 ILE 73 4.594 3.182 -2.564 617 HG13 ILE 73 1HG1 ILE 73 5.012 1.492 -2.822 618 HG21 ILE 73 1HG2 ILE 73 2.509 2.771 -0.362 619 HG22 ILE 73 2HG2 ILE 73 3.816 3.956 -0.354 620 HG23 ILE 73 3HG2 ILE 73 3.648 2.819 0.984 621 HD11 ILE 73 3HD1 ILE 73 2.654 0.885 -2.681 622 HD12 ILE 73 1HD1 ILE 73 2.940 2.081 -3.944 623 HD13 ILE 73 2HD1 ILE 73 2.236 2.576 -2.406 624 H LEU 74 HN LEU 74 6.525 3.717 1.528 625 HA LEU 74 HA LEU 74 6.513 1.636 3.596 626 HB2 LEU 74 2HB LEU 74 7.537 4.483 3.659 627 HB3 LEU 74 1HB LEU 74 7.655 3.336 4.977 628 HG LEU 74 HG LEU 74 8.992 3.030 2.287 629 HD11 LEU 74 1HD1 LEU 74 11.063 3.445 3.532 630 HD12 LEU 74 2HD1 LEU 74 10.117 3.767 4.985 631 HD13 LEU 74 3HD1 LEU 74 9.975 4.832 3.588 632 HD21 LEU 74 3HD2 LEU 74 10.156 1.156 3.319 633 HD22 LEU 74 1HD2 LEU 74 8.414 0.888 3.327 634 HD23 LEU 74 2HD2 LEU 74 9.236 1.388 4.806 635 H VAL 75 HN VAL 75 4.783 1.457 4.865 636 HA VAL 75 HA VAL 75 2.968 3.777 5.081 637 HB VAL 75 HB VAL 75 1.068 2.169 5.102 638 HG11 VAL 75 1HG1 VAL 75 1.591 3.383 3.077 639 HG12 VAL 75 2HG1 VAL 75 1.070 1.747 2.675 640 HG13 VAL 75 3HG1 VAL 75 2.782 2.165 2.620 641 HG21 VAL 75 3HG2 VAL 75 3.170 0.178 4.243 642 HG22 VAL 75 1HG2 VAL 75 1.428 -0.099 4.228 643 HG23 VAL 75 2HG2 VAL 75 2.267 0.157 5.757 644 H GLU 76 HN GLU 76 1.570 3.813 6.899 645 HA GLU 76 HA GLU 76 2.615 2.358 9.235 646 HB2 GLU 76 2HB GLU 76 1.563 4.222 10.567 647 HB3 GLU 76 1HB GLU 76 2.927 4.702 9.568 648 HG2 GLU 76 2HG GLU 76 1.397 5.596 7.894 649 HG3 GLU 76 1HG GLU 76 0.021 5.100 8.877 650 H VAL 77 HN VAL 77 1.229 1.200 10.494 651 HA VAL 77 HA VAL 77 -1.276 0.459 9.327 652 HB VAL 77 HB VAL 77 -0.180 -0.303 12.041 653 HG11 VAL 77 1HG1 VAL 77 -2.312 -1.559 10.319 654 HG12 VAL 77 2HG1 VAL 77 -2.545 -0.752 11.870 655 HG13 VAL 77 3HG1 VAL 77 -1.653 -2.271 11.791 656 HG21 VAL 77 3HG2 VAL 77 0.098 -1.733 9.401 657 HG22 VAL 77 1HG2 VAL 77 0.650 -2.328 10.967 658 HG23 VAL 77 2HG2 VAL 77 1.387 -0.890 10.261 659 H LEU 78 HN LEU 78 -3.166 1.442 9.628 660 HA LEU 78 HA LEU 78 -3.389 3.378 11.804 661 HB2 LEU 78 2HB LEU 78 -5.140 2.984 9.384 662 HB3 LEU 78 1HB LEU 78 -5.295 4.280 10.554 663 HG LEU 78 HG LEU 78 -2.921 3.862 8.735 664 HD11 LEU 78 1HD1 LEU 78 -5.146 5.891 8.606 665 HD12 LEU 78 2HD1 LEU 78 -4.940 4.518 7.519 666 HD13 LEU 78 3HD1 LEU 78 -3.743 5.813 7.540 667 HD21 LEU 78 3HD2 LEU 78 -2.255 6.099 9.498 668 HD22 LEU 78 1HD2 LEU 78 -2.307 4.942 10.829 669 HD23 LEU 78 2HD2 LEU 78 -3.611 6.110 10.625 670 H LEU 79 HN LEU 79 -4.602 0.372 10.772 671 HA LEU 79 HA LEU 79 -6.967 0.580 12.405 672 HB2 LEU 79 2HB LEU 79 -6.109 -1.413 10.336 673 HB3 LEU 79 1HB LEU 79 -7.506 -1.666 11.358 674 HG LEU 79 HG LEU 79 -7.124 0.534 9.332 675 HD11 LEU 79 1HD1 LEU 79 -7.696 -1.620 8.369 676 HD12 LEU 79 2HD1 LEU 79 -9.061 -0.508 8.256 677 HD13 LEU 79 3HD1 LEU 79 -9.056 -1.775 9.482 678 HD21 LEU 79 3HD2 LEU 79 -9.381 1.258 9.932 679 HD22 LEU 79 1HD2 LEU 79 -8.277 1.404 11.300 680 HD23 LEU 79 2HD2 LEU 79 -9.422 0.065 11.230 681 H GLU 80 HN GLU 80 -6.724 0.075 14.460 682 HA GLU 80 HA GLU 80 -5.910 -2.667 14.999 683 HB2 GLU 80 2HB GLU 80 -3.967 -1.228 15.639 684 HB3 GLU 80 1HB GLU 80 -5.018 -0.383 16.772 685 HG2 GLU 80 2HG GLU 80 -5.447 -2.563 17.895 686 HG3 GLU 80 1HG GLU 80 -4.233 -3.285 16.841 687 H HIS 81 HN HIS 81 -7.643 -3.604 15.806 688 HA HIS 81 HA HIS 81 -9.153 -2.301 17.919 689 HB2 HIS 81 2HB HIS 81 -10.184 -1.630 15.701 690 HB3 HIS 81 1HB HIS 81 -10.574 -3.325 15.451 691 HD1 HIS 81 1HD HIS 81 -11.807 -0.258 16.982 692 HD2 HIS 81 2HD HIS 81 -12.492 -4.344 17.411 693 HE1 HIS 81 1HE HIS 81 -13.992 -0.459 18.223 694 HE2 HIS 81 2HE HIS 81 -14.448 -2.938 18.366 695 H HIS 82 HN HIS 82 -9.916 -4.997 15.738 696 HA HIS 82 HA HIS 82 -8.897 -7.051 17.378 697 HB2 HIS 82 2HB HIS 82 -10.935 -6.193 18.732 698 HB3 HIS 82 1HB HIS 82 -11.910 -6.947 17.476 699 HD1 HIS 82 1HD HIS 82 -12.690 -9.176 18.186 700 HD2 HIS 82 2HD HIS 82 -8.915 -8.309 19.700 701 HE1 HIS 82 1HE HIS 82 -12.021 -11.192 19.531 702 HE2 HIS 82 2HE HIS 82 -9.642 -10.739 20.224 703 H HIS 83 HN HIS 83 -8.147 -7.624 15.360 704 HA HIS 83 HA HIS 83 -9.568 -7.587 12.987 705 HB2 HIS 83 2HB HIS 83 -7.786 -8.874 12.010 706 HB3 HIS 83 1HB HIS 83 -7.090 -7.756 13.174 707 HD1 HIS 83 1HD HIS 83 -6.861 -11.154 12.121 708 HD2 HIS 83 2HD HIS 83 -6.641 -9.214 15.798 709 HE1 HIS 83 1HE HIS 83 -5.662 -12.743 13.661 710 HE2 HIS 83 2HE HIS 83 -5.367 -11.466 15.813 711 H HIS 84 HN HIS 84 -10.921 -8.849 11.960 712 HA HIS 84 HA HIS 84 -12.093 -11.121 13.227 713 HB2 HIS 84 2HB HIS 84 -12.620 -9.473 10.910 714 HB3 HIS 84 1HB HIS 84 -12.764 -11.176 10.490 715 HD1 HIS 84 1HD HIS 84 -14.239 -8.584 12.801 716 HD2 HIS 84 2HD HIS 84 -15.016 -12.441 11.448 717 HE1 HIS 84 1HE HIS 84 -16.563 -9.129 13.603 718 HE2 HIS 84 2HE HIS 84 -17.067 -11.408 12.645 719 H HIS 85 HN HIS 85 -11.293 -13.115 13.266 720 HA HIS 85 HA HIS 85 -9.235 -13.819 11.322 721 HB2 HIS 85 2HB HIS 85 -8.798 -15.802 12.712 722 HB3 HIS 85 1HB HIS 85 -8.696 -14.314 13.639 723 HD1 HIS 85 1HD HIS 85 -10.169 -17.618 13.700 724 HD2 HIS 85 2HD HIS 85 -11.102 -13.882 15.278 725 HE1 HIS 85 1HE HIS 85 -11.818 -18.051 15.556 726 HE2 HIS 85 2HE HIS 85 -12.196 -15.797 16.623 727 H HIS 86 HN HIS 86 -12.533 -14.136 11.653 728 HA HIS 86 HA HIS 86 -12.515 -15.989 9.382 729 HB2 HIS 86 2HB HIS 86 -14.335 -16.162 11.789 730 HB3 HIS 86 1HB HIS 86 -14.756 -16.880 10.243 731 HD1 HIS 86 1HD HIS 86 -14.007 -18.209 13.163 732 HD2 HIS 86 2HD HIS 86 -11.869 -18.321 9.596 733 HE1 HIS 86 1HE HIS 86 -12.541 -20.254 13.310 734 HE2 HIS 86 2HE HIS 86 -11.348 -20.372 11.091 Start of MODEL 2 1 H1 MET 1 H1 MET 1 5.725 6.582 15.187 2 H2 MET 1 H2 MET 1 5.109 7.389 16.548 3 H3 MET 1 H3 MET 1 4.118 6.333 15.668 4 HA MET 1 HA MET 1 6.545 5.567 17.180 5 HB2 MET 1 2HB MET 1 4.733 6.163 18.688 6 HB3 MET 1 1HB MET 1 3.612 5.148 17.791 7 HG2 MET 1 2HG MET 1 4.312 4.065 19.840 8 HG3 MET 1 1HG MET 1 4.880 3.170 18.432 9 HE1 MET 1 2HE MET 1 7.795 2.478 20.891 10 HE2 MET 1 3HE MET 1 6.640 1.787 19.751 11 HE3 MET 1 1HE MET 1 6.068 2.528 21.245 12 H THR 2 HN THR 2 3.803 4.587 15.175 13 HA THR 2 HA THR 2 4.465 1.842 15.054 14 HB THR 2 HB THR 2 3.006 3.474 12.965 15 HG1 THR 2 1HG THR 2 1.269 3.377 14.230 16 HG21 THR 2 3HG2 THR 2 3.644 1.198 12.273 17 HG22 THR 2 1HG2 THR 2 1.897 1.374 12.436 18 HG23 THR 2 2HG2 THR 2 2.821 0.549 13.691 19 H LYS 3 HN LYS 3 5.772 0.716 13.677 20 HA LYS 3 HA LYS 3 7.839 2.235 12.364 21 HB2 LYS 3 2HB LYS 3 7.431 -0.745 12.646 22 HB3 LYS 3 1HB LYS 3 8.849 0.008 11.929 23 HG2 LYS 3 2HG LYS 3 7.923 0.334 14.774 24 HG3 LYS 3 1HG LYS 3 9.277 -0.655 14.225 25 HD2 LYS 3 2HD LYS 3 10.401 1.358 13.387 26 HD3 LYS 3 1HD LYS 3 9.042 2.341 13.935 27 HE2 LYS 3 2HE LYS 3 9.476 1.653 16.241 28 HE3 LYS 3 1HE LYS 3 10.834 0.670 15.695 29 HZ1 LYS 3 3HZ LYS 3 11.905 2.702 14.882 30 HZ2 LYS 3 1HZ LYS 3 11.603 2.782 16.549 31 HZ3 LYS 3 2HZ LYS 3 10.611 3.629 15.468 32 H GLY 4 HN GLY 4 8.413 2.079 10.178 33 HA2 GLY 4 2HA GLY 4 6.099 1.948 8.458 34 HA3 GLY 4 1HA GLY 4 7.711 2.478 8.005 35 H ILE 5 HN ILE 5 5.442 0.068 7.714 36 HA ILE 5 HA ILE 5 7.451 -1.894 6.847 37 HB ILE 5 HB ILE 5 5.599 -3.539 6.812 38 HG12 ILE 5 2HG1 ILE 5 3.960 -1.317 8.055 39 HG13 ILE 5 1HG1 ILE 5 3.771 -1.905 6.407 40 HG21 ILE 5 1HG2 ILE 5 6.989 -3.334 8.802 41 HG22 ILE 5 2HG2 ILE 5 5.331 -3.749 9.237 42 HG23 ILE 5 3HG2 ILE 5 5.908 -2.095 9.443 43 HD11 ILE 5 3HD1 ILE 5 2.070 -2.832 7.850 44 HD12 ILE 5 1HD1 ILE 5 3.305 -3.486 8.925 45 HD13 ILE 5 2HD1 ILE 5 3.148 -4.107 7.282 46 H GLY 6 HN GLY 6 6.628 -3.198 4.863 47 HA2 GLY 6 2HA GLY 6 6.128 -1.240 2.787 48 HA3 GLY 6 1HA GLY 6 6.455 -2.952 2.555 49 H LEU 7 HN LEU 7 4.448 -1.401 1.233 50 HA LEU 7 HA LEU 7 1.872 -1.761 2.271 51 HB2 LEU 7 2HB LEU 7 2.624 -0.375 0.277 52 HB3 LEU 7 1HB LEU 7 2.650 -1.860 -0.646 53 HG LEU 7 HG LEU 7 0.619 -0.361 -0.921 54 HD11 LEU 7 1HD1 LEU 7 0.635 -2.665 -1.692 55 HD12 LEU 7 2HD1 LEU 7 -0.945 -2.225 -1.041 56 HD13 LEU 7 3HD1 LEU 7 0.158 -3.216 -0.085 57 HD21 LEU 7 3HD2 LEU 7 -1.139 -0.586 0.770 58 HD22 LEU 7 1HD2 LEU 7 0.293 0.220 1.409 59 HD23 LEU 7 2HD2 LEU 7 -0.017 -1.470 1.806 60 H ASN 8 HN ASN 8 4.091 -3.953 0.824 61 HA ASN 8 HA ASN 8 2.239 -5.990 0.080 62 HB2 ASN 8 2HB ASN 8 4.181 -7.343 -0.358 63 HB3 ASN 8 1HB ASN 8 4.526 -5.707 -0.907 64 HD21 ASN 8 1HD2 ASN 8 6.057 -4.468 0.208 65 HD22 ASN 8 2HD2 ASN 8 7.148 -5.169 1.351 66 H GLU 9 HN GLU 9 3.244 -4.917 3.078 67 HA GLU 9 HA GLU 9 3.243 -7.578 4.301 68 HB2 GLU 9 2HB GLU 9 4.193 -4.893 5.295 69 HB3 GLU 9 1HB GLU 9 4.166 -6.342 6.275 70 HG2 GLU 9 2HG GLU 9 5.734 -7.413 4.772 71 HG3 GLU 9 1HG GLU 9 5.726 -5.991 3.732 72 H VAL 10 HN VAL 10 1.027 -5.317 3.592 73 HA VAL 10 HA VAL 10 -0.140 -4.916 6.203 74 HB VAL 10 HB VAL 10 -1.333 -4.210 3.530 75 HG11 VAL 10 1HG1 VAL 10 -1.823 -3.070 6.275 76 HG12 VAL 10 2HG1 VAL 10 -2.915 -4.124 5.376 77 HG13 VAL 10 3HG1 VAL 10 -2.559 -2.505 4.774 78 HG21 VAL 10 3HG2 VAL 10 0.877 -3.225 3.681 79 HG22 VAL 10 1HG2 VAL 10 0.497 -2.571 5.275 80 HG23 VAL 10 2HG2 VAL 10 -0.357 -1.977 3.851 81 H GLU 11 HN GLU 11 -2.319 -5.461 6.713 82 HA GLU 11 HA GLU 11 -2.989 -8.184 6.037 83 HB2 GLU 11 2HB GLU 11 -3.144 -7.171 8.351 84 HB3 GLU 11 1HB GLU 11 -4.533 -6.262 7.791 85 HG2 GLU 11 2HG GLU 11 -5.210 -8.224 9.032 86 HG3 GLU 11 1HG GLU 11 -5.714 -8.353 7.347 87 H ILE 12 HN ILE 12 -5.289 -8.723 5.540 88 HA ILE 12 HA ILE 12 -6.080 -7.214 3.214 89 HB ILE 12 HB ILE 12 -7.854 -8.931 2.954 90 HG12 ILE 12 2HG1 ILE 12 -6.569 -10.203 5.380 91 HG13 ILE 12 1HG1 ILE 12 -8.158 -9.447 5.355 92 HG21 ILE 12 1HG2 ILE 12 -5.055 -9.979 3.343 93 HG22 ILE 12 2HG2 ILE 12 -5.697 -9.217 1.888 94 HG23 ILE 12 3HG2 ILE 12 -6.328 -10.777 2.418 95 HD11 ILE 12 3HD1 ILE 12 -7.335 -11.871 3.776 96 HD12 ILE 12 1HD1 ILE 12 -8.928 -11.116 3.751 97 HD13 ILE 12 2HD1 ILE 12 -8.330 -11.865 5.234 98 H LYS 13 HN LYS 13 -7.828 -5.967 2.933 99 HA LYS 13 HA LYS 13 -9.463 -4.509 3.414 100 HB2 LYS 13 2HB LYS 13 -10.302 -6.701 5.307 101 HB3 LYS 13 1HB LYS 13 -11.276 -5.275 4.965 102 HG2 LYS 13 2HG LYS 13 -11.189 -5.904 2.548 103 HG3 LYS 13 1HG LYS 13 -10.435 -7.420 3.036 104 HD2 LYS 13 2HD LYS 13 -13.129 -6.448 3.979 105 HD3 LYS 13 1HD LYS 13 -12.874 -7.608 2.674 106 HE2 LYS 13 2HE LYS 13 -11.714 -9.087 4.283 107 HE3 LYS 13 1HE LYS 13 -12.107 -7.945 5.568 108 HZ1 LYS 13 3HZ LYS 13 -13.694 -9.751 5.493 109 HZ2 LYS 13 1HZ LYS 13 -14.071 -9.401 3.880 110 HZ3 LYS 13 2HZ LYS 13 -14.457 -8.291 5.102 111 H SER 14 HN SER 14 -7.079 -3.953 4.571 112 HA SER 14 HA SER 14 -7.875 -2.714 7.115 113 HB2 SER 14 2HB SER 14 -5.932 -4.294 7.220 114 HB3 SER 14 1HB SER 14 -5.060 -3.229 6.118 115 HG SER 14 HG SER 14 -5.315 -3.051 8.776 116 H LYS 15 HN LYS 15 -6.565 -0.602 7.456 117 HA LYS 15 HA LYS 15 -6.571 0.954 4.962 118 HB2 LYS 15 2HB LYS 15 -8.693 1.293 6.181 119 HB3 LYS 15 1HB LYS 15 -7.792 1.823 7.589 120 HG2 LYS 15 2HG LYS 15 -7.108 3.813 6.528 121 HG3 LYS 15 1HG LYS 15 -7.605 3.225 4.937 122 HD2 LYS 15 2HD LYS 15 -9.949 3.174 5.745 123 HD3 LYS 15 1HD LYS 15 -9.410 3.887 7.262 124 HE2 LYS 15 2HE LYS 15 -8.764 5.252 4.690 125 HE3 LYS 15 1HE LYS 15 -10.395 5.373 5.343 126 HZ1 LYS 15 3HZ LYS 15 -9.297 6.133 7.468 127 HZ2 LYS 15 1HZ LYS 15 -9.234 7.210 6.163 128 HZ3 LYS 15 2HZ LYS 15 -7.866 6.308 6.569 129 H VAL 16 HN VAL 16 -4.622 1.761 4.674 130 HA VAL 16 HA VAL 16 -3.037 2.441 7.061 131 HB VAL 16 HB VAL 16 -0.996 1.755 5.791 132 HG11 VAL 16 1HG1 VAL 16 -3.036 -0.411 6.293 133 HG12 VAL 16 2HG1 VAL 16 -1.977 0.317 7.500 134 HG13 VAL 16 3HG1 VAL 16 -1.290 -0.640 6.190 135 HG21 VAL 16 3HG2 VAL 16 -1.880 1.841 3.533 136 HG22 VAL 16 1HG2 VAL 16 -3.027 0.554 3.907 137 HG23 VAL 16 2HG2 VAL 16 -1.297 0.215 3.888 138 H LYS 17 HN LYS 17 -1.317 3.930 6.730 139 HA LYS 17 HA LYS 17 -1.991 6.027 4.784 140 HB2 LYS 17 2HB LYS 17 -2.146 6.821 7.013 141 HB3 LYS 17 1HB LYS 17 -0.659 6.033 7.470 142 HG2 LYS 17 2HG LYS 17 0.637 7.619 6.231 143 HG3 LYS 17 1HG LYS 17 -0.830 8.362 5.586 144 HD2 LYS 17 2HD LYS 17 -1.374 9.356 7.586 145 HD3 LYS 17 1HD LYS 17 -0.515 8.148 8.540 146 HE2 LYS 17 2HE LYS 17 0.866 10.178 6.799 147 HE3 LYS 17 1HE LYS 17 0.516 10.442 8.506 148 HZ1 LYS 17 3HZ LYS 17 1.792 8.347 8.946 149 HZ2 LYS 17 1HZ LYS 17 2.718 9.648 8.366 150 HZ3 LYS 17 2HZ LYS 17 2.291 8.387 7.326 151 H VAL 18 HN VAL 18 -0.425 6.879 3.501 152 HA VAL 18 HA VAL 18 1.963 5.272 3.125 153 HB VAL 18 HB VAL 18 0.995 7.680 1.568 154 HG11 VAL 18 1HG1 VAL 18 2.628 7.021 -0.111 155 HG12 VAL 18 2HG1 VAL 18 3.163 5.688 0.912 156 HG13 VAL 18 3HG1 VAL 18 3.423 7.354 1.428 157 HG21 VAL 18 3HG2 VAL 18 0.368 6.016 -0.143 158 HG22 VAL 18 1HG2 VAL 18 -0.538 5.818 1.358 159 HG23 VAL 18 2HG2 VAL 18 0.796 4.728 0.983 160 H ILE 19 HN ILE 19 3.425 5.674 4.651 161 HA ILE 19 HA ILE 19 4.078 8.124 5.819 162 HB ILE 19 HB ILE 19 6.072 5.935 5.249 163 HG12 ILE 19 2HG1 ILE 19 4.059 6.151 7.493 164 HG13 ILE 19 1HG1 ILE 19 4.125 4.907 6.254 165 HG21 ILE 19 1HG2 ILE 19 7.121 6.737 7.330 166 HG22 ILE 19 2HG2 ILE 19 5.906 8.011 7.433 167 HG23 ILE 19 3HG2 ILE 19 7.047 7.989 6.089 168 HD11 ILE 19 3HD1 ILE 19 6.199 5.373 8.382 169 HD12 ILE 19 1HD1 ILE 19 6.248 4.122 7.142 170 HD13 ILE 19 2HD1 ILE 19 4.984 4.096 8.372 171 H GLY 20 HN GLY 20 5.529 6.483 3.026 172 HA2 GLY 20 2HA GLY 20 5.894 8.788 1.509 173 HA3 GLY 20 1HA GLY 20 7.378 8.519 2.412 174 H ILE 21 HN ILE 21 7.693 8.503 -0.129 175 HA ILE 21 HA ILE 21 7.553 5.776 -1.179 176 HB ILE 21 HB ILE 21 8.537 8.252 -2.610 177 HG12 ILE 21 2HG1 ILE 21 5.725 7.128 -2.616 178 HG13 ILE 21 1HG1 ILE 21 6.215 8.599 -1.780 179 HG21 ILE 21 1HG2 ILE 21 8.020 6.998 -4.630 180 HG22 ILE 21 2HG2 ILE 21 7.421 5.652 -3.660 181 HG23 ILE 21 3HG2 ILE 21 9.129 6.084 -3.606 182 HD11 ILE 21 3HD1 ILE 21 6.801 9.618 -3.910 183 HD12 ILE 21 1HD1 ILE 21 5.118 9.087 -3.898 184 HD13 ILE 21 2HD1 ILE 21 6.338 8.140 -4.752 185 H VAL 22 HN VAL 22 9.523 4.858 -2.143 186 HA VAL 22 HA VAL 22 11.928 5.627 -0.660 187 HB VAL 22 HB VAL 22 11.448 3.131 -2.299 188 HG11 VAL 22 1HG1 VAL 22 13.809 3.709 -2.085 189 HG12 VAL 22 2HG1 VAL 22 13.429 2.270 -1.139 190 HG13 VAL 22 3HG1 VAL 22 13.631 3.826 -0.334 191 HG21 VAL 22 3HG2 VAL 22 11.201 1.987 -0.139 192 HG22 VAL 22 1HG2 VAL 22 9.943 3.198 -0.390 193 HG23 VAL 22 2HG2 VAL 22 11.298 3.543 0.684 194 HA PRO 23 HA PRO 23 12.477 7.881 -4.566 195 HB2 PRO 23 2HB PRO 23 14.798 8.974 -3.084 196 HB3 PRO 23 1HB PRO 23 13.475 9.819 -3.897 197 HG2 PRO 23 2HG PRO 23 13.581 9.690 -1.243 198 HG3 PRO 23 1HG PRO 23 12.033 9.559 -2.101 199 HD2 PRO 23 2HD PRO 23 13.722 7.399 -0.892 200 HD3 PRO 23 1HD PRO 23 11.958 7.603 -0.853 201 H GLU 24 HN GLU 24 14.236 8.315 -6.058 202 HA GLU 24 HA GLU 24 15.848 7.632 -7.487 203 HB2 GLU 24 2HB GLU 24 17.158 7.902 -5.248 204 HB3 GLU 24 1HB GLU 24 17.218 6.146 -5.267 205 HG2 GLU 24 2HG GLU 24 18.461 6.119 -7.278 206 HG3 GLU 24 1HG GLU 24 18.183 7.837 -7.554 207 H SER 25 HN SER 25 13.555 5.836 -6.536 208 HA SER 25 HA SER 25 14.484 3.188 -7.260 209 HB2 SER 25 2HB SER 25 12.748 3.572 -5.483 210 HB3 SER 25 1HB SER 25 11.662 4.153 -6.737 211 HG SER 25 HG SER 25 11.826 1.728 -5.961 212 H LYS 26 HN LYS 26 13.284 1.975 -8.974 213 HA LYS 26 HA LYS 26 13.062 3.563 -11.364 214 HB2 LYS 26 2HB LYS 26 12.660 0.619 -10.840 215 HB3 LYS 26 1HB LYS 26 12.413 1.348 -12.418 216 HG2 LYS 26 2HG LYS 26 14.555 0.545 -12.589 217 HG3 LYS 26 1HG LYS 26 14.837 2.217 -12.115 218 HD2 LYS 26 2HD LYS 26 16.290 0.849 -10.814 219 HD3 LYS 26 1HD LYS 26 15.010 1.423 -9.745 220 HE2 LYS 26 2HE LYS 26 15.543 -0.971 -9.419 221 HE3 LYS 26 1HE LYS 26 13.868 -0.693 -9.893 222 HZ1 LYS 26 3HZ LYS 26 14.281 -1.466 -12.045 223 HZ2 LYS 26 1HZ LYS 26 15.086 -2.566 -11.040 224 HZ3 LYS 26 2HZ LYS 26 15.965 -1.377 -11.867 225 H VAL 27 HN VAL 27 10.952 2.356 -8.930 226 HA VAL 27 HA VAL 27 8.620 2.987 -10.597 227 HB VAL 27 HB VAL 27 7.260 1.854 -8.895 228 HG11 VAL 27 1HG1 VAL 27 9.581 0.188 -9.859 229 HG12 VAL 27 2HG1 VAL 27 8.137 0.584 -10.792 230 HG13 VAL 27 3HG1 VAL 27 8.007 -0.421 -9.349 231 HG21 VAL 27 3HG2 VAL 27 8.348 0.558 -7.116 232 HG22 VAL 27 1HG2 VAL 27 8.619 2.291 -6.931 233 HG23 VAL 27 2HG2 VAL 27 9.901 1.261 -7.568 234 H ARG 28 HN ARG 28 10.592 4.464 -8.384 235 HA ARG 28 HA ARG 28 8.988 5.788 -6.583 236 HB2 ARG 28 2HB ARG 28 11.513 5.902 -6.846 237 HB3 ARG 28 1HB ARG 28 11.248 7.111 -8.090 238 HG2 ARG 28 2HG ARG 28 10.247 7.416 -5.271 239 HG3 ARG 28 1HG ARG 28 11.837 7.963 -5.792 240 HD2 ARG 28 2HD ARG 28 9.160 8.911 -6.805 241 HD3 ARG 28 1HD ARG 28 10.309 9.818 -5.824 242 HE ARG 28 HE ARG 28 11.501 8.976 -8.263 243 HH11 ARG 28 1HH1 ARG 28 9.395 11.398 -6.857 244 HH12 ARG 28 2HH1 ARG 28 9.583 12.521 -8.177 245 HH21 ARG 28 1HH2 ARG 28 11.750 10.436 -10.004 246 HH22 ARG 28 2HH2 ARG 28 10.930 11.971 -9.967 247 H ARG 29 HN ARG 29 9.750 6.861 -9.910 248 HA ARG 29 HA ARG 29 8.132 9.165 -9.802 249 HB2 ARG 29 2HB ARG 29 9.856 8.961 -11.499 250 HB3 ARG 29 1HB ARG 29 9.043 7.566 -12.202 251 HG2 ARG 29 2HG ARG 29 7.142 8.958 -12.804 252 HG3 ARG 29 1HG ARG 29 7.920 10.355 -12.062 253 HD2 ARG 29 2HD ARG 29 9.696 10.284 -13.686 254 HD3 ARG 29 1HD ARG 29 9.052 8.791 -14.375 255 HE ARG 29 HE ARG 29 6.968 10.422 -14.658 256 HH11 ARG 29 1HH1 ARG 29 10.348 10.959 -15.375 257 HH12 ARG 29 2HH1 ARG 29 10.028 12.062 -16.676 258 HH21 ARG 29 1HH2 ARG 29 6.533 11.870 -16.348 259 HH22 ARG 29 2HH2 ARG 29 7.853 12.591 -17.226 260 H LYS 30 HN LYS 30 7.517 5.916 -11.071 261 HA LYS 30 HA LYS 30 4.966 6.197 -12.041 262 HB2 LYS 30 2HB LYS 30 6.201 4.116 -12.213 263 HB3 LYS 30 1HB LYS 30 6.138 3.892 -10.475 264 HG2 LYS 30 2HG LYS 30 3.709 3.635 -10.597 265 HG3 LYS 30 1HG LYS 30 3.778 3.856 -12.345 266 HD2 LYS 30 2HD LYS 30 5.139 1.856 -12.571 267 HD3 LYS 30 1HD LYS 30 5.163 1.652 -10.818 268 HE2 LYS 30 2HE LYS 30 2.778 1.281 -10.789 269 HE3 LYS 30 1HE LYS 30 2.668 1.637 -12.512 270 HZ1 LYS 30 3HZ LYS 30 4.125 -0.660 -11.307 271 HZ2 LYS 30 1HZ LYS 30 4.019 -0.309 -12.966 272 HZ3 LYS 30 2HZ LYS 30 2.625 -0.737 -12.106 273 H ILE 31 HN ILE 31 5.862 5.376 -8.717 274 HA ILE 31 HA ILE 31 3.281 5.203 -7.662 275 HB ILE 31 HB ILE 31 5.859 5.967 -6.278 276 HG12 ILE 31 2HG1 ILE 31 6.011 3.795 -7.350 277 HG13 ILE 31 1HG1 ILE 31 5.892 3.574 -5.607 278 HG21 ILE 31 1HG2 ILE 31 4.782 5.247 -4.208 279 HG22 ILE 31 2HG2 ILE 31 3.270 4.995 -5.081 280 HG23 ILE 31 3HG2 ILE 31 3.943 6.619 -4.931 281 HD11 ILE 31 3HD1 ILE 31 3.535 3.014 -5.835 282 HD12 ILE 31 1HD1 ILE 31 4.544 1.950 -6.814 283 HD13 ILE 31 2HD1 ILE 31 3.640 3.258 -7.578 284 H MET 32 HN MET 32 5.494 8.011 -7.738 285 HA MET 32 HA MET 32 3.634 9.667 -6.332 286 HB2 MET 32 2HB MET 32 5.182 11.479 -6.675 287 HB3 MET 32 1HB MET 32 6.062 10.041 -6.187 288 HG2 MET 32 2HG MET 32 7.404 10.840 -7.836 289 HG3 MET 32 1HG MET 32 6.392 9.728 -8.753 290 HE1 MET 32 3HE MET 32 6.956 13.526 -7.782 291 HE2 MET 32 1HE MET 32 5.304 13.160 -7.281 292 HE3 MET 32 2HE MET 32 5.595 14.267 -8.623 293 H ASP 33 HN ASP 33 4.268 8.977 -9.675 294 HA ASP 33 HA ASP 33 2.778 11.135 -10.789 295 HB2 ASP 33 2HB ASP 33 4.466 9.757 -12.029 296 HB3 ASP 33 1HB ASP 33 3.336 8.410 -11.992 297 H MET 34 HN MET 34 2.016 8.024 -9.489 298 HA MET 34 HA MET 34 -0.664 7.927 -10.536 299 HB2 MET 34 2HB MET 34 0.907 6.230 -8.613 300 HB3 MET 34 1HB MET 34 -0.802 5.946 -8.899 301 HG2 MET 34 2HG MET 34 -0.400 5.501 -11.220 302 HG3 MET 34 1HG MET 34 1.288 5.978 -11.060 303 HE1 MET 34 3HE MET 34 -1.427 3.341 -9.958 304 HE2 MET 34 1HE MET 34 -0.736 3.896 -8.433 305 HE3 MET 34 2HE MET 34 -0.451 2.245 -8.981 306 H GLY 35 HN GLY 35 0.692 9.785 -8.199 307 HA2 GLY 35 2HA GLY 35 -0.710 11.388 -7.100 308 HA3 GLY 35 1HA GLY 35 -1.951 10.153 -6.967 309 H ILE 36 HN ILE 36 0.690 8.495 -6.171 310 HA ILE 36 HA ILE 36 0.110 8.737 -3.342 311 HB ILE 36 HB ILE 36 2.201 6.969 -4.598 312 HG12 ILE 36 2HG1 ILE 36 -0.687 6.264 -4.065 313 HG13 ILE 36 1HG1 ILE 36 -0.052 6.681 -5.651 314 HG21 ILE 36 1HG2 ILE 36 0.628 6.741 -2.032 315 HG22 ILE 36 2HG2 ILE 36 2.320 7.217 -2.175 316 HG23 ILE 36 3HG2 ILE 36 1.825 5.583 -2.617 317 HD11 ILE 36 3HD1 ILE 36 0.801 4.339 -3.966 318 HD12 ILE 36 1HD1 ILE 36 1.454 4.759 -5.550 319 HD13 ILE 36 2HD1 ILE 36 -0.235 4.280 -5.392 320 H VAL 37 HN VAL 37 1.310 9.787 -1.899 321 HA VAL 37 HA VAL 37 4.105 10.374 -2.444 322 HB VAL 37 HB VAL 37 3.585 12.830 -1.596 323 HG11 VAL 37 1HG1 VAL 37 3.221 11.926 -4.449 324 HG12 VAL 37 2HG1 VAL 37 4.751 12.298 -3.654 325 HG13 VAL 37 3HG1 VAL 37 3.570 13.578 -3.940 326 HG21 VAL 37 3HG2 VAL 37 1.061 12.101 -3.086 327 HG22 VAL 37 1HG2 VAL 37 1.544 13.730 -2.611 328 HG23 VAL 37 2HG2 VAL 37 1.172 12.525 -1.377 329 H ARG 38 HN ARG 38 1.999 12.030 -0.163 330 HA ARG 38 HA ARG 38 2.999 10.430 2.054 331 HB2 ARG 38 2HB ARG 38 3.524 13.368 1.664 332 HB3 ARG 38 1HB ARG 38 3.471 12.660 3.273 333 HG2 ARG 38 2HG ARG 38 5.342 11.287 2.830 334 HG3 ARG 38 1HG ARG 38 5.290 11.647 1.105 335 HD2 ARG 38 2HD ARG 38 7.072 12.852 2.405 336 HD3 ARG 38 1HD ARG 38 5.995 13.881 1.462 337 HE ARG 38 HE ARG 38 4.771 14.008 3.779 338 HH11 ARG 38 1HH1 ARG 38 8.222 14.035 3.202 339 HH12 ARG 38 2HH1 ARG 38 8.561 15.086 4.539 340 HH21 ARG 38 1HH2 ARG 38 5.208 15.380 5.525 341 HH22 ARG 38 2HH2 ARG 38 6.847 15.856 5.866 342 H GLY 39 HN GLY 39 1.447 10.123 3.537 343 HA2 GLY 39 2HA GLY 39 -0.396 10.660 4.880 344 HA3 GLY 39 1HA GLY 39 -0.618 12.133 3.947 345 H THR 40 HN THR 40 -0.265 9.909 1.647 346 HA THR 40 HA THR 40 -2.981 9.761 0.928 347 HB THR 40 HB THR 40 -0.984 7.734 -0.009 348 HG1 THR 40 1HG THR 40 -1.058 10.276 -1.222 349 HG21 THR 40 3HG2 THR 40 -3.261 7.661 -0.896 350 HG22 THR 40 1HG2 THR 40 -2.108 8.098 -2.153 351 HG23 THR 40 2HG2 THR 40 -3.118 9.341 -1.415 352 H GLU 41 HN GLU 41 -4.467 8.052 1.139 353 HA GLU 41 HA GLU 41 -3.730 6.003 3.100 354 HB2 GLU 41 2HB GLU 41 -6.324 7.478 2.684 355 HB3 GLU 41 1HB GLU 41 -6.166 6.067 3.706 356 HG2 GLU 41 2HG GLU 41 -4.541 7.240 5.095 357 HG3 GLU 41 1HG GLU 41 -4.689 8.656 4.058 358 H ILE 42 HN ILE 42 -4.173 3.946 2.670 359 HA ILE 42 HA ILE 42 -5.349 3.383 0.023 360 HB ILE 42 HB ILE 42 -3.058 1.979 1.406 361 HG12 ILE 42 2HG1 ILE 42 -3.115 3.627 -1.130 362 HG13 ILE 42 1HG1 ILE 42 -2.463 4.158 0.416 363 HG21 ILE 42 1HG2 ILE 42 -4.332 1.406 -1.271 364 HG22 ILE 42 2HG2 ILE 42 -4.441 0.393 0.169 365 HG23 ILE 42 3HG2 ILE 42 -2.886 0.625 -0.630 366 HD11 ILE 42 3HD1 ILE 42 -1.422 1.867 -1.235 367 HD12 ILE 42 1HD1 ILE 42 -0.763 2.419 0.305 368 HD13 ILE 42 2HD1 ILE 42 -0.701 3.471 -1.110 369 H TYR 43 HN TYR 43 -6.929 1.888 -0.070 370 HA TYR 43 HA TYR 43 -7.510 0.288 2.317 371 HB2 TYR 43 2HB TYR 43 -9.080 1.171 -0.048 372 HB3 TYR 43 1HB TYR 43 -9.478 -0.405 0.623 373 HD1 TYR 43 1HD TYR 43 -10.101 -0.531 3.086 374 HD2 TYR 43 2HD TYR 43 -9.904 3.140 0.942 375 HE1 TYR 43 1HE TYR 43 -11.533 0.530 4.781 376 HE2 TYR 43 2HE TYR 43 -11.328 4.208 2.637 377 HH TYR 43 HH TYR 43 -11.995 2.844 5.636 378 H ILE 44 HN ILE 44 -6.565 -1.660 2.409 379 HA ILE 44 HA ILE 44 -5.658 -2.959 -0.017 380 HB ILE 44 HB ILE 44 -5.612 -3.953 2.839 381 HG12 ILE 44 2HG1 ILE 44 -4.255 -1.943 2.536 382 HG13 ILE 44 1HG1 ILE 44 -3.222 -3.348 2.772 383 HG21 ILE 44 1HG2 ILE 44 -5.536 -5.799 1.274 384 HG22 ILE 44 2HG2 ILE 44 -3.954 -5.579 2.020 385 HG23 ILE 44 3HG2 ILE 44 -4.238 -5.017 0.372 386 HD11 ILE 44 3HD1 ILE 44 -2.774 -3.444 0.398 387 HD12 ILE 44 1HD1 ILE 44 -2.383 -1.849 1.038 388 HD13 ILE 44 2HD1 ILE 44 -3.869 -2.089 0.119 389 H GLU 45 HN GLU 45 -7.246 -3.835 -1.250 390 HA GLU 45 HA GLU 45 -9.656 -4.830 -0.066 391 HB2 GLU 45 2HB GLU 45 -8.718 -5.086 -2.923 392 HB3 GLU 45 1HB GLU 45 -10.358 -5.309 -2.335 393 HG2 GLU 45 2HG GLU 45 -9.790 -2.801 -1.449 394 HG3 GLU 45 1HG GLU 45 -8.902 -2.860 -2.970 395 H GLY 46 HN GLY 46 -6.718 -6.228 -1.392 396 HA2 GLY 46 2HA GLY 46 -6.716 -8.483 0.160 397 HA3 GLY 46 1HA GLY 46 -7.661 -8.931 -1.254 398 H LYS 47 HN LYS 47 -5.450 -10.344 -0.809 399 HA LYS 47 HA LYS 47 -3.633 -9.376 -2.912 400 HB2 LYS 47 2HB LYS 47 -2.867 -11.010 -0.467 401 HB3 LYS 47 1HB LYS 47 -1.783 -10.546 -1.772 402 HG2 LYS 47 2HG LYS 47 -1.862 -8.273 -1.185 403 HG3 LYS 47 1HG LYS 47 -3.258 -8.508 -0.137 404 HD2 LYS 47 2HD LYS 47 -0.541 -9.711 0.386 405 HD3 LYS 47 1HD LYS 47 -1.086 -8.176 1.067 406 HE2 LYS 47 2HE LYS 47 -3.066 -9.448 1.995 407 HE3 LYS 47 1HE LYS 47 -2.221 -10.923 1.533 408 HZ1 LYS 47 3HZ LYS 47 -1.803 -10.416 3.833 409 HZ2 LYS 47 1HZ LYS 47 -1.237 -8.867 3.443 410 HZ3 LYS 47 2HZ LYS 47 -0.367 -10.236 2.959 411 H ALA 48 HN ALA 48 -2.876 -10.984 -4.367 412 HA ALA 48 HA ALA 48 -4.716 -13.021 -4.969 413 HB1 ALA 48 1HB ALA 48 -3.223 -12.016 -6.642 414 HB2 ALA 48 2HB ALA 48 -3.099 -13.776 -6.621 415 HB3 ALA 48 3HB ALA 48 -1.843 -12.794 -5.865 416 HA PRO 49 HA PRO 49 -3.617 -16.451 -2.402 417 HB2 PRO 49 2HB PRO 49 -3.493 -18.515 -4.235 418 HB3 PRO 49 1HB PRO 49 -4.983 -17.893 -3.518 419 HG2 PRO 49 2HG PRO 49 -3.753 -17.275 -6.171 420 HG3 PRO 49 1HG PRO 49 -5.458 -17.536 -5.756 421 HD2 PRO 49 2HD PRO 49 -4.483 -15.072 -6.138 422 HD3 PRO 49 1HD PRO 49 -5.701 -15.396 -4.887 423 H MET 50 HN MET 50 -1.645 -15.527 -5.043 424 HA MET 50 HA MET 50 0.580 -17.243 -4.242 425 HB2 MET 50 2HB MET 50 0.498 -15.136 -6.412 426 HB3 MET 50 1HB MET 50 1.728 -16.371 -6.187 427 HG2 MET 50 2HG MET 50 0.154 -18.102 -6.754 428 HG3 MET 50 1HG MET 50 -1.150 -16.921 -6.865 429 HE1 MET 50 3HE MET 50 -0.767 -18.878 -9.209 430 HE2 MET 50 1HE MET 50 -0.783 -17.808 -10.610 431 HE3 MET 50 2HE MET 50 -1.901 -17.528 -9.273 432 H GLY 51 HN GLY 51 -0.742 -14.380 -3.284 433 HA2 GLY 51 2HA GLY 51 0.087 -12.737 -1.869 434 HA3 GLY 51 1HA GLY 51 1.700 -13.398 -2.078 435 H ASP 52 HN ASP 52 0.796 -13.268 -5.085 436 HA ASP 52 HA ASP 52 1.106 -10.420 -5.596 437 HB2 ASP 52 2HB ASP 52 3.420 -11.252 -5.549 438 HB3 ASP 52 1HB ASP 52 3.001 -12.524 -6.689 439 HA PRO 53 HA PRO 53 0.893 -9.099 -7.013 440 HB2 PRO 53 2HB PRO 53 -0.933 -7.622 -8.288 441 HB3 PRO 53 1HB PRO 53 0.369 -8.428 -9.166 442 HG2 PRO 53 2HG PRO 53 -2.500 -9.207 -8.901 443 HG3 PRO 53 1HG PRO 53 -1.428 -9.329 -10.308 444 HD2 PRO 53 2HD PRO 53 -2.063 -11.409 -8.567 445 HD3 PRO 53 1HD PRO 53 -0.679 -11.380 -9.676 446 H ILE 54 HN ILE 54 -0.579 -7.045 -6.308 447 HA ILE 54 HA ILE 54 -2.405 -8.073 -4.229 448 HB ILE 54 HB ILE 54 -0.723 -5.554 -4.139 449 HG12 ILE 54 2HG1 ILE 54 -0.370 -8.179 -2.668 450 HG13 ILE 54 1HG1 ILE 54 0.632 -7.617 -4.001 451 HG21 ILE 54 1HG2 ILE 54 -1.395 -5.470 -1.772 452 HG22 ILE 54 2HG2 ILE 54 -2.455 -6.854 -2.037 453 HG23 ILE 54 3HG2 ILE 54 -2.774 -5.329 -2.862 454 HD11 ILE 54 3HD1 ILE 54 1.694 -7.288 -1.824 455 HD12 ILE 54 1HD1 ILE 54 0.359 -6.243 -1.341 456 HD13 ILE 54 2HD1 ILE 54 1.420 -5.762 -2.666 457 H ALA 55 HN ALA 55 -4.377 -7.060 -3.951 458 HA ALA 55 HA ALA 55 -5.146 -5.162 -6.063 459 HB1 ALA 55 1HB ALA 55 -6.420 -7.264 -5.966 460 HB2 ALA 55 2HB ALA 55 -7.436 -5.858 -5.651 461 HB3 ALA 55 3HB ALA 55 -6.905 -6.880 -4.314 462 H LEU 56 HN LEU 56 -5.218 -3.117 -5.482 463 HA LEU 56 HA LEU 56 -5.784 -2.451 -2.666 464 HB2 LEU 56 2HB LEU 56 -4.207 -0.913 -4.737 465 HB3 LEU 56 1HB LEU 56 -4.603 -0.304 -3.146 466 HG LEU 56 HG LEU 56 -3.276 -2.287 -2.227 467 HD11 LEU 56 1HD1 LEU 56 -1.588 -3.231 -3.692 468 HD12 LEU 56 2HD1 LEU 56 -2.249 -2.335 -5.061 469 HD13 LEU 56 3HD1 LEU 56 -3.206 -3.602 -4.292 470 HD21 LEU 56 3HD2 LEU 56 -1.847 -0.172 -3.828 471 HD22 LEU 56 1HD2 LEU 56 -1.163 -1.110 -2.502 472 HD23 LEU 56 2HD2 LEU 56 -2.483 0.017 -2.194 473 H ARG 57 HN ARG 57 -7.130 -0.640 -2.250 474 HA ARG 57 HA ARG 57 -8.465 0.505 -4.611 475 HB2 ARG 57 2HB ARG 57 -9.981 -0.775 -3.030 476 HB3 ARG 57 1HB ARG 57 -9.614 0.445 -1.823 477 HG2 ARG 57 2HG ARG 57 -10.404 2.126 -3.615 478 HG3 ARG 57 1HG ARG 57 -11.163 0.719 -4.357 479 HD2 ARG 57 2HD ARG 57 -11.615 1.716 -1.548 480 HD3 ARG 57 1HD ARG 57 -12.720 1.904 -2.907 481 HE ARG 57 HE ARG 57 -12.082 -0.843 -2.397 482 HH11 ARG 57 1HH1 ARG 57 -14.130 1.836 -1.446 483 HH12 ARG 57 2HH1 ARG 57 -15.357 0.819 -0.749 484 HH21 ARG 57 1HH2 ARG 57 -13.671 -2.181 -1.486 485 HH22 ARG 57 2HH2 ARG 57 -15.081 -1.476 -0.743 486 H LEU 58 HN LEU 58 -7.541 2.363 -5.017 487 HA LEU 58 HA LEU 58 -6.885 4.170 -2.806 488 HB2 LEU 58 2HB LEU 58 -4.839 2.991 -3.291 489 HB3 LEU 58 1HB LEU 58 -5.033 3.280 -5.005 490 HG LEU 58 HG LEU 58 -4.780 5.740 -4.516 491 HD11 LEU 58 1HD1 LEU 58 -5.309 5.652 -2.135 492 HD12 LEU 58 2HD1 LEU 58 -3.721 6.364 -2.420 493 HD13 LEU 58 3HD1 LEU 58 -3.852 4.701 -1.846 494 HD21 LEU 58 3HD2 LEU 58 -2.479 3.913 -3.848 495 HD22 LEU 58 1HD2 LEU 58 -2.348 5.602 -4.336 496 HD23 LEU 58 2HD2 LEU 58 -2.984 4.406 -5.464 497 H ARG 59 HN ARG 59 -6.970 6.298 -3.309 498 HA ARG 59 HA ARG 59 -7.489 8.218 -4.402 499 HB2 ARG 59 2HB ARG 59 -5.703 7.328 -5.957 500 HB3 ARG 59 1HB ARG 59 -6.993 6.688 -6.959 501 HG2 ARG 59 2HG ARG 59 -7.822 8.929 -7.372 502 HG3 ARG 59 1HG ARG 59 -6.581 9.600 -6.306 503 HD2 ARG 59 2HD ARG 59 -4.836 8.792 -7.766 504 HD3 ARG 59 1HD ARG 59 -6.020 7.973 -8.782 505 HE ARG 59 HE ARG 59 -6.280 10.867 -8.510 506 HH11 ARG 59 1HH1 ARG 59 -5.251 8.113 -10.407 507 HH12 ARG 59 2HH1 ARG 59 -5.111 9.016 -11.890 508 HH21 ARG 59 1HH2 ARG 59 -6.142 12.056 -10.469 509 HH22 ARG 59 2HH2 ARG 59 -5.640 11.253 -11.921 510 H GLY 60 HN GLY 60 -9.375 5.741 -4.150 511 HA2 GLY 60 2HA GLY 60 -11.757 6.120 -4.120 512 HA3 GLY 60 1HA GLY 60 -11.582 7.022 -5.615 513 H TYR 61 HN TYR 61 -9.617 4.577 -6.265 514 HA TYR 61 HA TYR 61 -11.774 2.745 -7.044 515 HB2 TYR 61 2HB TYR 61 -10.647 2.499 -9.293 516 HB3 TYR 61 1HB TYR 61 -11.514 3.996 -9.017 517 HD1 TYR 61 2HD TYR 61 -8.196 2.459 -9.361 518 HD2 TYR 61 1HD TYR 61 -10.335 6.114 -8.936 519 HE1 TYR 61 2HE TYR 61 -6.168 3.709 -9.964 520 HE2 TYR 61 1HE TYR 61 -8.313 7.375 -9.546 521 HH TYR 61 HH TYR 61 -5.552 5.891 -10.885 522 H SER 62 HN SER 62 -11.170 0.649 -7.553 523 HA SER 62 HA SER 62 -8.895 -0.353 -6.145 524 HB2 SER 62 2HB SER 62 -10.608 -1.963 -8.009 525 HB3 SER 62 1HB SER 62 -9.833 -2.452 -6.510 526 HG SER 62 HG SER 62 -11.527 -1.860 -5.453 527 H LEU 63 HN LEU 63 -7.070 -1.260 -6.975 528 HA LEU 63 HA LEU 63 -6.713 -1.727 -9.792 529 HB2 LEU 63 2HB LEU 63 -4.874 -0.240 -10.152 530 HB3 LEU 63 1HB LEU 63 -6.235 0.707 -9.591 531 HG LEU 63 HG LEU 63 -3.986 -0.163 -7.773 532 HD11 LEU 63 1HD1 LEU 63 -3.079 1.213 -9.563 533 HD12 LEU 63 2HD1 LEU 63 -3.090 2.093 -8.035 534 HD13 LEU 63 3HD1 LEU 63 -4.311 2.437 -9.261 535 HD21 LEU 63 3HD2 LEU 63 -6.043 0.444 -6.622 536 HD22 LEU 63 1HD2 LEU 63 -6.100 1.972 -7.504 537 HD23 LEU 63 2HD2 LEU 63 -4.797 1.664 -6.358 538 H SER 64 HN SER 64 -4.804 -2.979 -10.209 539 HA SER 64 HA SER 64 -3.747 -4.174 -7.737 540 HB2 SER 64 2HB SER 64 -5.193 -5.671 -9.108 541 HB3 SER 64 1HB SER 64 -4.044 -5.509 -10.435 542 HG SER 64 HG SER 64 -3.145 -6.329 -7.898 543 H LEU 65 HN LEU 65 -1.628 -4.258 -7.428 544 HA LEU 65 HA LEU 65 0.164 -3.776 -9.689 545 HB2 LEU 65 2HB LEU 65 1.603 -2.419 -8.097 546 HB3 LEU 65 1HB LEU 65 0.150 -1.651 -8.696 547 HG LEU 65 HG LEU 65 -0.926 -2.401 -6.471 548 HD11 LEU 65 1HD1 LEU 65 0.829 -3.940 -5.765 549 HD12 LEU 65 2HD1 LEU 65 0.629 -2.631 -4.600 550 HD13 LEU 65 3HD1 LEU 65 1.988 -2.612 -5.723 551 HD21 LEU 65 3HD2 LEU 65 -0.437 -0.089 -7.049 552 HD22 LEU 65 1HD2 LEU 65 1.229 -0.294 -6.510 553 HD23 LEU 65 2HD2 LEU 65 -0.093 -0.394 -5.345 554 H ARG 66 HN ARG 66 2.492 -4.349 -9.026 555 HA ARG 66 HA ARG 66 2.333 -7.053 -8.082 556 HB2 ARG 66 2HB ARG 66 4.631 -5.393 -9.103 557 HB3 ARG 66 1HB ARG 66 4.797 -7.072 -8.609 558 HG2 ARG 66 2HG ARG 66 2.973 -6.079 -10.792 559 HG3 ARG 66 1HG ARG 66 4.555 -6.822 -11.040 560 HD2 ARG 66 2HD ARG 66 3.785 -8.897 -10.082 561 HD3 ARG 66 1HD ARG 66 2.245 -8.165 -9.637 562 HE ARG 66 HE ARG 66 2.351 -7.813 -12.326 563 HH11 ARG 66 1HH1 ARG 66 2.701 -10.653 -10.260 564 HH12 ARG 66 2HH1 ARG 66 2.046 -11.731 -11.467 565 HH21 ARG 66 1HH2 ARG 66 1.465 -9.245 -13.852 566 HH22 ARG 66 2HH2 ARG 66 1.366 -10.943 -13.495 567 H LYS 67 HN LYS 67 3.482 -7.988 -6.415 568 HA LYS 67 HA LYS 67 3.310 -6.609 -3.970 569 HB2 LYS 67 2HB LYS 67 3.042 -9.053 -4.289 570 HB3 LYS 67 1HB LYS 67 4.761 -9.184 -4.611 571 HG2 LYS 67 2HG LYS 67 3.964 -7.944 -2.047 572 HG3 LYS 67 1HG LYS 67 3.687 -9.676 -2.231 573 HD2 LYS 67 2HD LYS 67 6.087 -9.893 -2.924 574 HD3 LYS 67 1HD LYS 67 6.300 -8.196 -2.486 575 HE2 LYS 67 2HE LYS 67 5.682 -8.659 -0.205 576 HE3 LYS 67 1HE LYS 67 5.304 -10.334 -0.607 577 HZ1 LYS 67 3HZ LYS 67 7.985 -9.051 -0.667 578 HZ2 LYS 67 1HZ LYS 67 7.662 -10.625 -1.220 579 HZ3 LYS 67 2HZ LYS 67 7.441 -10.240 0.417 580 H SER 68 HN SER 68 6.051 -7.278 -6.090 581 HA SER 68 HA SER 68 8.055 -6.429 -4.282 582 HB2 SER 68 2HB SER 68 8.065 -6.542 -7.301 583 HB3 SER 68 1HB SER 68 9.495 -6.315 -6.293 584 HG SER 68 HG SER 68 8.632 -8.374 -5.238 585 H GLU 69 HN GLU 69 5.997 -4.686 -6.521 586 HA GLU 69 HA GLU 69 7.439 -2.205 -6.277 587 HB2 GLU 69 2HB GLU 69 4.648 -2.793 -7.289 588 HB3 GLU 69 1HB GLU 69 5.450 -1.233 -7.404 589 HG2 GLU 69 2HG GLU 69 7.154 -2.182 -8.841 590 HG3 GLU 69 1HG GLU 69 6.426 -3.781 -8.674 591 H ALA 70 HN ALA 70 4.745 -3.783 -4.709 592 HA ALA 70 HA ALA 70 3.891 -1.631 -3.100 593 HB1 ALA 70 1HB ALA 70 2.846 -3.344 -1.704 594 HB2 ALA 70 2HB ALA 70 3.765 -4.593 -2.545 595 HB3 ALA 70 3HB ALA 70 2.557 -3.647 -3.417 596 H LYS 71 HN LYS 71 6.644 -3.683 -2.967 597 HA LYS 71 HA LYS 71 7.319 -3.324 -0.229 598 HB2 LYS 71 2HB LYS 71 8.256 -5.164 -1.498 599 HB3 LYS 71 1HB LYS 71 8.989 -4.057 -2.645 600 HG2 LYS 71 2HG LYS 71 9.769 -3.888 0.228 601 HG3 LYS 71 1HG LYS 71 10.413 -5.194 -0.768 602 HD2 LYS 71 2HD LYS 71 10.607 -2.256 -1.439 603 HD3 LYS 71 1HD LYS 71 11.887 -3.203 -0.682 604 HE2 LYS 71 2HE LYS 71 12.113 -4.584 -2.611 605 HE3 LYS 71 1HE LYS 71 10.658 -3.904 -3.338 606 HZ1 LYS 71 3HZ LYS 71 11.737 -1.854 -3.702 607 HZ2 LYS 71 1HZ LYS 71 12.814 -3.050 -4.236 608 HZ3 LYS 71 2HZ LYS 71 13.071 -2.283 -2.743 609 H ASP 72 HN ASP 72 7.776 -1.443 -3.123 610 HA ASP 72 HA ASP 72 9.787 0.289 -2.002 611 HB2 ASP 72 2HB ASP 72 8.356 0.048 -4.597 612 HB3 ASP 72 1HB ASP 72 9.007 1.629 -4.188 613 H ILE 73 HN ILE 73 6.638 -0.005 -1.331 614 HA ILE 73 HA ILE 73 6.301 2.873 -0.786 615 HB ILE 73 HB ILE 73 4.119 0.783 -0.995 616 HG12 ILE 73 2HG1 ILE 73 4.831 2.984 -2.946 617 HG13 ILE 73 1HG1 ILE 73 5.206 1.280 -3.178 618 HG21 ILE 73 1HG2 ILE 73 2.610 2.738 -0.973 619 HG22 ILE 73 2HG2 ILE 73 4.003 3.780 -0.686 620 HG23 ILE 73 3HG2 ILE 73 3.539 2.579 0.520 621 HD11 ILE 73 3HD1 ILE 73 3.247 1.915 -4.448 622 HD12 ILE 73 1HD1 ILE 73 2.456 2.482 -2.977 623 HD13 ILE 73 2HD1 ILE 73 2.814 0.766 -3.181 624 H LEU 74 HN LEU 74 6.707 3.320 1.281 625 HA LEU 74 HA LEU 74 6.400 1.232 3.301 626 HB2 LEU 74 2HB LEU 74 7.672 3.970 3.440 627 HB3 LEU 74 1HB LEU 74 7.603 2.831 4.771 628 HG LEU 74 HG LEU 74 9.051 2.388 2.158 629 HD11 LEU 74 1HD1 LEU 74 10.111 4.056 3.616 630 HD12 LEU 74 2HD1 LEU 74 11.074 2.584 3.480 631 HD13 LEU 74 3HD1 LEU 74 10.119 2.883 4.932 632 HD21 LEU 74 3HD2 LEU 74 8.899 0.683 4.643 633 HD22 LEU 74 1HD2 LEU 74 9.942 0.381 3.253 634 HD23 LEU 74 2HD2 LEU 74 8.189 0.302 3.074 635 H VAL 75 HN VAL 75 4.691 1.176 4.607 636 HA VAL 75 HA VAL 75 2.977 3.566 4.683 637 HB VAL 75 HB VAL 75 1.013 2.054 4.785 638 HG11 VAL 75 1HG1 VAL 75 1.002 1.469 2.410 639 HG12 VAL 75 2HG1 VAL 75 2.746 1.727 2.339 640 HG13 VAL 75 3HG1 VAL 75 1.668 3.081 2.678 641 HG21 VAL 75 3HG2 VAL 75 1.276 -0.292 4.107 642 HG22 VAL 75 1HG2 VAL 75 2.102 0.052 5.627 643 HG23 VAL 75 2HG2 VAL 75 3.029 -0.096 4.134 644 H GLU 76 HN GLU 76 1.526 3.721 6.435 645 HA GLU 76 HA GLU 76 2.525 2.527 8.936 646 HB2 GLU 76 2HB GLU 76 3.211 4.856 8.732 647 HB3 GLU 76 1HB GLU 76 1.559 5.335 8.398 648 HG2 GLU 76 2HG GLU 76 0.914 4.683 10.660 649 HG3 GLU 76 1HG GLU 76 2.584 4.212 10.993 650 H VAL 77 HN VAL 77 1.029 1.526 10.071 651 HA VAL 77 HA VAL 77 -1.629 1.332 9.014 652 HB VAL 77 HB VAL 77 -0.540 -0.650 9.959 653 HG11 VAL 77 1HG1 VAL 77 0.732 0.347 11.760 654 HG12 VAL 77 2HG1 VAL 77 -0.315 -0.922 12.394 655 HG13 VAL 77 3HG1 VAL 77 -0.753 0.772 12.609 656 HG21 VAL 77 3HG2 VAL 77 -2.965 -0.578 9.877 657 HG22 VAL 77 1HG2 VAL 77 -3.014 0.177 11.470 658 HG23 VAL 77 2HG2 VAL 77 -2.419 -1.475 11.294 659 H LEU 78 HN LEU 78 -3.376 2.435 9.566 660 HA LEU 78 HA LEU 78 -3.134 4.405 11.691 661 HB2 LEU 78 2HB LEU 78 -5.200 4.032 9.531 662 HB3 LEU 78 1HB LEU 78 -5.261 5.301 10.737 663 HG LEU 78 HG LEU 78 -3.092 4.945 8.667 664 HD11 LEU 78 1HD1 LEU 78 -5.193 5.694 7.699 665 HD12 LEU 78 2HD1 LEU 78 -4.001 6.995 7.698 666 HD13 LEU 78 3HD1 LEU 78 -5.297 6.986 8.893 667 HD21 LEU 78 3HD2 LEU 78 -2.304 7.139 9.453 668 HD22 LEU 78 1HD2 LEU 78 -2.204 5.905 10.709 669 HD23 LEU 78 2HD2 LEU 78 -3.505 7.093 10.744 670 H LEU 79 HN LEU 79 -4.414 1.363 11.233 671 HA LEU 79 HA LEU 79 -6.517 1.576 13.152 672 HB2 LEU 79 2HB LEU 79 -6.185 -0.109 11.149 673 HB3 LEU 79 1HB LEU 79 -5.336 -1.042 12.361 674 HG LEU 79 HG LEU 79 -8.203 -0.122 12.590 675 HD11 LEU 79 1HD1 LEU 79 -7.918 -1.762 10.810 676 HD12 LEU 79 2HD1 LEU 79 -8.782 -2.456 12.182 677 HD13 LEU 79 3HD1 LEU 79 -7.079 -2.839 11.926 678 HD21 LEU 79 3HD2 LEU 79 -7.118 -0.418 14.760 679 HD22 LEU 79 1HD2 LEU 79 -6.606 -2.038 14.288 680 HD23 LEU 79 2HD2 LEU 79 -8.322 -1.674 14.472 681 H GLU 80 HN GLU 80 -5.259 2.527 14.817 682 HA GLU 80 HA GLU 80 -3.322 0.756 16.118 683 HB2 GLU 80 2HB GLU 80 -2.952 3.308 15.551 684 HB3 GLU 80 1HB GLU 80 -3.863 3.563 17.029 685 HG2 GLU 80 2HG GLU 80 -1.421 1.817 16.950 686 HG3 GLU 80 1HG GLU 80 -1.322 3.559 17.179 687 H HIS 81 HN HIS 81 -5.011 -0.651 16.844 688 HA HIS 81 HA HIS 81 -6.727 0.311 18.983 689 HB2 HIS 81 2HB HIS 81 -7.446 -1.539 17.453 690 HB3 HIS 81 1HB HIS 81 -6.143 -2.532 18.089 691 HD1 HIS 81 1HD HIS 81 -9.571 -1.348 18.812 692 HD2 HIS 81 2HD HIS 81 -6.560 -3.468 20.749 693 HE1 HIS 81 1HE HIS 81 -10.675 -2.441 20.794 694 HE2 HIS 81 2HE HIS 81 -8.886 -3.899 21.806 695 H HIS 82 HN HIS 82 -4.028 -1.896 18.536 696 HA HIS 82 HA HIS 82 -2.617 -0.693 20.742 697 HB2 HIS 82 2HB HIS 82 -3.615 -3.513 20.874 698 HB3 HIS 82 1HB HIS 82 -2.011 -3.163 21.505 699 HD1 HIS 82 1HD HIS 82 -4.831 -3.927 23.043 700 HD2 HIS 82 2HD HIS 82 -2.745 -0.325 23.013 701 HE1 HIS 82 1HE HIS 82 -5.547 -2.704 25.123 702 HE2 HIS 82 2HE HIS 82 -4.123 -0.625 25.182 703 H HIS 83 HN HIS 83 -0.504 -0.570 20.202 704 HA HIS 83 HA HIS 83 0.296 -1.214 17.605 705 HB2 HIS 83 2HB HIS 83 2.566 -0.573 18.278 706 HB3 HIS 83 1HB HIS 83 1.370 0.572 18.866 707 HD1 HIS 83 1HD HIS 83 0.955 0.636 21.449 708 HD2 HIS 83 2HD HIS 83 4.025 -1.896 20.229 709 HE1 HIS 83 1HE HIS 83 2.297 0.145 23.521 710 HE2 HIS 83 2HE HIS 83 4.091 -1.469 22.782 711 H HIS 84 HN HIS 84 0.416 -3.093 20.516 712 HA HIS 84 HA HIS 84 0.447 -5.349 20.727 713 HB2 HIS 84 2HB HIS 84 -0.689 -5.052 18.379 714 HB3 HIS 84 1HB HIS 84 0.826 -5.709 17.777 715 HD1 HIS 84 1HD HIS 84 -2.415 -6.675 19.053 716 HD2 HIS 84 2HD HIS 84 1.377 -8.391 18.882 717 HE1 HIS 84 1HE HIS 84 -2.762 -9.140 19.438 718 HE2 HIS 84 2HE HIS 84 -0.459 -10.162 19.320 719 H HIS 85 HN HIS 85 2.424 -5.338 21.810 720 HA HIS 85 HA HIS 85 4.865 -5.629 20.256 721 HB2 HIS 85 2HB HIS 85 4.802 -4.269 22.363 722 HB3 HIS 85 1HB HIS 85 4.517 -5.755 23.261 723 HD1 HIS 85 1HD HIS 85 7.191 -3.783 21.591 724 HD2 HIS 85 2HD HIS 85 6.756 -7.481 23.444 725 HE1 HIS 85 1HE HIS 85 9.526 -4.624 21.981 726 HE2 HIS 85 2HE HIS 85 9.238 -6.752 23.301 727 H HIS 86 HN HIS 86 2.789 -7.498 22.377 728 HA HIS 86 HA HIS 86 3.535 -9.938 21.036 729 HB2 HIS 86 2HB HIS 86 4.340 -9.403 23.859 730 HB3 HIS 86 1HB HIS 86 3.735 -11.007 23.470 731 HD1 HIS 86 1HD HIS 86 6.813 -9.636 24.027 732 HD2 HIS 86 2HD HIS 86 5.253 -11.658 20.739 733 HE1 HIS 86 1HE HIS 86 8.800 -10.530 22.767 734 HE2 HIS 86 2HE HIS 86 7.835 -11.680 20.735 Start of MODEL 3 1 H1 MET 1 H1 MET 1 1.856 6.357 17.297 2 H2 MET 1 H2 MET 1 0.606 5.650 18.200 3 H3 MET 1 H3 MET 1 0.559 5.614 16.503 4 HA MET 1 HA MET 1 2.682 4.321 18.100 5 HB2 MET 1 2HB MET 1 0.135 3.156 16.960 6 HB3 MET 1 1HB MET 1 1.509 2.179 17.456 7 HG2 MET 1 2HG MET 1 1.288 3.026 19.735 8 HG3 MET 1 1HG MET 1 -0.100 3.993 19.235 9 HE1 MET 1 2HE MET 1 -0.082 1.915 21.669 10 HE2 MET 1 3HE MET 1 -1.643 1.123 21.453 11 HE3 MET 1 1HE MET 1 -1.503 2.867 21.239 12 H THR 2 HN THR 2 4.401 4.265 16.810 13 HA THR 2 HA THR 2 4.138 4.503 13.971 14 HB THR 2 HB THR 2 6.651 4.158 14.003 15 HG1 THR 2 1HG THR 2 7.517 3.526 15.814 16 HG21 THR 2 3HG2 THR 2 5.442 6.360 15.674 17 HG22 THR 2 1HG2 THR 2 5.677 6.373 13.927 18 HG23 THR 2 2HG2 THR 2 7.074 6.378 15.005 19 H LYS 3 HN LYS 3 2.854 2.660 13.544 20 HA LYS 3 HA LYS 3 4.417 0.176 13.367 21 HB2 LYS 3 2HB LYS 3 2.016 -0.795 12.909 22 HB3 LYS 3 1HB LYS 3 2.558 -0.495 14.553 23 HG2 LYS 3 2HG LYS 3 1.360 1.627 14.569 24 HG3 LYS 3 1HG LYS 3 0.820 1.340 12.915 25 HD2 LYS 3 2HD LYS 3 -0.504 -0.514 13.581 26 HD3 LYS 3 1HD LYS 3 0.226 -0.542 15.188 27 HE2 LYS 3 2HE LYS 3 -2.034 0.431 15.208 28 HE3 LYS 3 1HE LYS 3 -0.804 1.579 15.731 29 HZ1 LYS 3 3HZ LYS 3 -2.041 1.475 13.031 30 HZ2 LYS 3 1HZ LYS 3 -0.845 2.573 13.519 31 HZ3 LYS 3 2HZ LYS 3 -2.379 2.618 14.240 32 H GLY 4 HN GLY 4 5.487 1.004 11.546 33 HA2 GLY 4 2HA GLY 4 3.814 1.185 9.120 34 HA3 GLY 4 1HA GLY 4 5.226 2.199 9.386 35 H ILE 5 HN ILE 5 4.237 -0.210 7.589 36 HA ILE 5 HA ILE 5 6.860 -1.532 7.506 37 HB ILE 5 HB ILE 5 5.688 -3.677 6.977 38 HG12 ILE 5 2HG1 ILE 5 3.246 -2.167 7.948 39 HG13 ILE 5 1HG1 ILE 5 3.517 -2.755 6.311 40 HG21 ILE 5 1HG2 ILE 5 5.133 -2.507 9.700 41 HG22 ILE 5 2HG2 ILE 5 6.619 -3.306 9.188 42 HG23 ILE 5 3HG2 ILE 5 5.118 -4.225 9.305 43 HD11 ILE 5 3HD1 ILE 5 3.168 -4.438 8.778 44 HD12 ILE 5 1HD1 ILE 5 3.511 -5.058 7.163 45 HD13 ILE 5 2HD1 ILE 5 1.997 -4.211 7.479 46 H GLY 6 HN GLY 6 6.822 -2.989 5.370 47 HA2 GLY 6 2HA GLY 6 6.406 -1.192 3.183 48 HA3 GLY 6 1HA GLY 6 6.882 -2.884 3.067 49 H LEU 7 HN LEU 7 4.942 -1.412 1.452 50 HA LEU 7 HA LEU 7 2.297 -1.905 2.183 51 HB2 LEU 7 2HB LEU 7 3.172 -0.489 0.278 52 HB3 LEU 7 1HB LEU 7 3.387 -1.968 -0.631 53 HG LEU 7 HG LEU 7 1.302 -0.595 -1.121 54 HD11 LEU 7 1HD1 LEU 7 0.944 -3.480 -0.337 55 HD12 LEU 7 2HD1 LEU 7 1.552 -2.892 -1.885 56 HD13 LEU 7 3HD1 LEU 7 -0.113 -2.558 -1.407 57 HD21 LEU 7 3HD2 LEU 7 -0.600 -0.942 0.370 58 HD22 LEU 7 1HD2 LEU 7 0.701 -0.064 1.173 59 HD23 LEU 7 2HD2 LEU 7 0.450 -1.776 1.516 60 H ASN 8 HN ASN 8 4.700 -4.033 0.801 61 HA ASN 8 HA ASN 8 2.823 -6.068 0.046 62 HB2 ASN 8 2HB ASN 8 4.778 -7.413 -0.503 63 HB3 ASN 8 1HB ASN 8 4.952 -5.789 -1.152 64 HD21 ASN 8 1HD2 ASN 8 6.523 -4.418 -0.289 65 HD22 ASN 8 2HD2 ASN 8 7.795 -5.007 0.726 66 H GLU 9 HN GLU 9 4.067 -5.120 3.018 67 HA GLU 9 HA GLU 9 4.163 -7.807 4.144 68 HB2 GLU 9 2HB GLU 9 4.736 -5.106 5.363 69 HB3 GLU 9 1HB GLU 9 4.888 -6.630 6.205 70 HG2 GLU 9 2HG GLU 9 6.604 -7.317 4.586 71 HG3 GLU 9 1HG GLU 9 6.487 -5.730 3.829 72 H VAL 10 HN VAL 10 1.911 -5.413 3.597 73 HA VAL 10 HA VAL 10 0.438 -5.599 6.061 74 HB VAL 10 HB VAL 10 -0.549 -4.503 3.428 75 HG11 VAL 10 1HG1 VAL 10 -2.287 -4.768 5.089 76 HG12 VAL 10 2HG1 VAL 10 -1.936 -3.054 4.860 77 HG13 VAL 10 3HG1 VAL 10 -1.317 -3.900 6.279 78 HG21 VAL 10 3HG2 VAL 10 0.270 -2.311 4.172 79 HG22 VAL 10 1HG2 VAL 10 1.583 -3.463 3.926 80 HG23 VAL 10 2HG2 VAL 10 1.038 -3.083 5.560 81 H GLU 11 HN GLU 11 -1.820 -6.358 6.131 82 HA GLU 11 HA GLU 11 -2.111 -8.832 4.578 83 HB2 GLU 11 2HB GLU 11 -1.994 -8.907 7.116 84 HB3 GLU 11 1HB GLU 11 -3.557 -8.109 7.131 85 HG2 GLU 11 2HG GLU 11 -4.572 -9.977 5.997 86 HG3 GLU 11 1HG GLU 11 -3.004 -10.764 5.824 87 H ILE 12 HN ILE 12 -4.591 -9.448 4.446 88 HA ILE 12 HA ILE 12 -5.650 -7.553 2.600 89 HB ILE 12 HB ILE 12 -7.472 -9.169 2.276 90 HG12 ILE 12 2HG1 ILE 12 -6.109 -10.761 4.466 91 HG13 ILE 12 1HG1 ILE 12 -7.642 -9.918 4.640 92 HG21 ILE 12 1HG2 ILE 12 -4.717 -10.393 2.377 93 HG22 ILE 12 2HG2 ILE 12 -5.399 -9.459 1.046 94 HG23 ILE 12 3HG2 ILE 12 -6.081 -11.031 1.462 95 HD11 ILE 12 3HD1 ILE 12 -7.087 -12.219 2.785 96 HD12 ILE 12 1HD1 ILE 12 -8.622 -11.363 2.930 97 HD13 ILE 12 2HD1 ILE 12 -7.993 -12.283 4.296 98 H LYS 13 HN LYS 13 -7.684 -6.576 2.618 99 HA LYS 13 HA LYS 13 -9.277 -5.227 3.461 100 HB2 LYS 13 2HB LYS 13 -9.675 -7.639 5.230 101 HB3 LYS 13 1HB LYS 13 -10.797 -6.286 5.150 102 HG2 LYS 13 2HG LYS 13 -10.868 -6.732 2.632 103 HG3 LYS 13 1HG LYS 13 -10.118 -8.280 3.020 104 HD2 LYS 13 2HD LYS 13 -12.686 -7.286 4.246 105 HD3 LYS 13 1HD LYS 13 -12.609 -8.347 2.840 106 HE2 LYS 13 2HE LYS 13 -11.491 -10.047 4.154 107 HE3 LYS 13 1HE LYS 13 -11.452 -8.972 5.553 108 HZ1 LYS 13 3HZ LYS 13 -13.845 -8.999 5.631 109 HZ2 LYS 13 1HZ LYS 13 -13.265 -10.595 5.669 110 HZ3 LYS 13 2HZ LYS 13 -13.923 -9.964 4.240 111 H SER 14 HN SER 14 -6.904 -4.424 4.319 112 HA SER 14 HA SER 14 -7.610 -3.287 6.926 113 HB2 SER 14 2HB SER 14 -4.799 -4.054 6.094 114 HB3 SER 14 1HB SER 14 -5.291 -3.372 7.642 115 HG SER 14 HG SER 14 -6.582 -5.701 6.859 116 H LYS 15 HN LYS 15 -6.805 -1.094 7.203 117 HA LYS 15 HA LYS 15 -6.246 0.158 4.603 118 HB2 LYS 15 2HB LYS 15 -8.394 0.741 5.959 119 HB3 LYS 15 1HB LYS 15 -7.298 1.692 6.956 120 HG2 LYS 15 2HG LYS 15 -6.625 3.008 5.067 121 HG3 LYS 15 1HG LYS 15 -7.555 1.982 3.974 122 HD2 LYS 15 2HD LYS 15 -9.596 2.671 5.337 123 HD3 LYS 15 1HD LYS 15 -8.561 3.920 6.039 124 HE2 LYS 15 2HE LYS 15 -8.057 4.713 3.740 125 HE3 LYS 15 1HE LYS 15 -9.217 3.542 3.118 126 HZ1 LYS 15 3HZ LYS 15 -10.873 4.685 4.646 127 HZ2 LYS 15 1HZ LYS 15 -10.382 5.543 3.264 128 HZ3 LYS 15 2HZ LYS 15 -9.727 5.933 4.774 129 H VAL 16 HN VAL 16 -4.597 1.575 4.385 130 HA VAL 16 HA VAL 16 -2.824 1.981 6.699 131 HB VAL 16 HB VAL 16 -0.865 1.606 5.216 132 HG11 VAL 16 1HG1 VAL 16 -2.735 -0.747 5.473 133 HG12 VAL 16 2HG1 VAL 16 -1.595 -0.171 6.692 134 HG13 VAL 16 3HG1 VAL 16 -0.999 -0.843 5.175 135 HG21 VAL 16 3HG2 VAL 16 -1.909 2.018 3.063 136 HG22 VAL 16 1HG2 VAL 16 -2.931 0.593 3.260 137 HG23 VAL 16 2HG2 VAL 16 -1.185 0.409 3.088 138 H LYS 17 HN LYS 17 -1.026 3.574 6.021 139 HA LYS 17 HA LYS 17 -2.086 5.636 4.216 140 HB2 LYS 17 2HB LYS 17 -2.655 6.383 6.424 141 HB3 LYS 17 1HB LYS 17 -1.039 6.050 7.005 142 HG2 LYS 17 2HG LYS 17 -0.157 7.825 5.584 143 HG3 LYS 17 1HG LYS 17 -1.786 8.151 4.987 144 HD2 LYS 17 2HD LYS 17 -2.514 8.835 7.166 145 HD3 LYS 17 1HD LYS 17 -0.983 8.333 7.887 146 HE2 LYS 17 2HE LYS 17 0.195 10.033 6.609 147 HE3 LYS 17 1HE LYS 17 -1.311 10.510 5.827 148 HZ1 LYS 17 3HZ LYS 17 -0.713 11.999 7.634 149 HZ2 LYS 17 1HZ LYS 17 -0.741 10.714 8.738 150 HZ3 LYS 17 2HZ LYS 17 -2.174 11.202 7.968 151 H VAL 18 HN VAL 18 -0.604 6.697 3.050 152 HA VAL 18 HA VAL 18 1.952 5.412 2.750 153 HB VAL 18 HB VAL 18 0.971 7.913 1.365 154 HG11 VAL 18 1HG1 VAL 18 2.574 7.297 -0.375 155 HG12 VAL 18 2HG1 VAL 18 3.092 5.914 0.588 156 HG13 VAL 18 3HG1 VAL 18 3.374 7.553 1.176 157 HG21 VAL 18 3HG2 VAL 18 0.274 6.427 -0.462 158 HG22 VAL 18 1HG2 VAL 18 -0.626 6.121 1.023 159 HG23 VAL 18 2HG2 VAL 18 0.670 5.029 0.537 160 H ILE 19 HN ILE 19 3.123 5.793 4.560 161 HA ILE 19 HA ILE 19 3.529 8.452 5.574 162 HB ILE 19 HB ILE 19 4.890 5.851 6.271 163 HG12 ILE 19 2HG1 ILE 19 2.483 5.907 6.768 164 HG13 ILE 19 1HG1 ILE 19 3.441 5.886 8.242 165 HG21 ILE 19 1HG2 ILE 19 5.698 6.996 8.272 166 HG22 ILE 19 2HG2 ILE 19 4.989 8.505 7.699 167 HG23 ILE 19 3HG2 ILE 19 6.315 7.760 6.807 168 HD11 ILE 19 3HD1 ILE 19 3.103 8.285 8.503 169 HD12 ILE 19 1HD1 ILE 19 1.565 7.425 8.415 170 HD13 ILE 19 2HD1 ILE 19 2.159 8.315 7.012 171 H GLY 20 HN GLY 20 5.660 6.012 4.073 172 HA2 GLY 20 2HA GLY 20 7.396 8.251 3.258 173 HA3 GLY 20 1HA GLY 20 8.077 6.829 4.020 174 H ILE 21 HN ILE 21 8.844 7.801 1.581 175 HA ILE 21 HA ILE 21 8.017 5.638 -0.221 176 HB ILE 21 HB ILE 21 8.595 8.520 -0.940 177 HG12 ILE 21 2HG1 ILE 21 6.069 6.872 -1.194 178 HG13 ILE 21 1HG1 ILE 21 6.351 8.159 -0.025 179 HG21 ILE 21 1HG2 ILE 21 8.084 7.873 -3.268 180 HG22 ILE 21 2HG2 ILE 21 7.998 6.185 -2.762 181 HG23 ILE 21 3HG2 ILE 21 9.523 7.064 -2.648 182 HD11 ILE 21 3HD1 ILE 21 4.968 8.946 -1.838 183 HD12 ILE 21 1HD1 ILE 21 6.191 8.467 -3.015 184 HD13 ILE 21 2HD1 ILE 21 6.528 9.766 -1.869 185 H VAL 22 HN VAL 22 9.718 4.957 -1.674 186 HA VAL 22 HA VAL 22 12.400 5.445 -0.586 187 HB VAL 22 HB VAL 22 11.482 3.202 -2.393 188 HG11 VAL 22 1HG1 VAL 22 13.632 2.167 -1.829 189 HG12 VAL 22 2HG1 VAL 22 14.075 3.602 -0.905 190 HG13 VAL 22 3HG1 VAL 22 13.852 3.711 -2.650 191 HG21 VAL 22 3HG2 VAL 22 11.667 1.786 -0.399 192 HG22 VAL 22 1HG2 VAL 22 10.448 3.046 -0.192 193 HG23 VAL 22 2HG2 VAL 22 12.029 3.212 0.574 194 HA PRO 23 HA PRO 23 12.459 8.054 -4.358 195 HB2 PRO 23 2HB PRO 23 14.880 9.083 -3.000 196 HB3 PRO 23 1HB PRO 23 13.484 9.964 -3.630 197 HG2 PRO 23 2HG PRO 23 13.849 9.666 -1.004 198 HG3 PRO 23 1HG PRO 23 12.227 9.597 -1.719 199 HD2 PRO 23 2HD PRO 23 14.001 7.353 -0.829 200 HD3 PRO 23 1HD PRO 23 12.252 7.563 -0.599 201 H GLU 24 HN GLU 24 14.292 8.566 -5.885 202 HA GLU 24 HA GLU 24 15.851 7.892 -7.356 203 HB2 GLU 24 2HB GLU 24 16.993 6.430 -4.972 204 HB3 GLU 24 1HB GLU 24 17.809 6.714 -6.496 205 HG2 GLU 24 2HG GLU 24 17.834 9.068 -6.143 206 HG3 GLU 24 1HG GLU 24 16.824 8.907 -4.707 207 H SER 25 HN SER 25 13.435 6.226 -6.649 208 HA SER 25 HA SER 25 14.243 3.565 -7.482 209 HB2 SER 25 2HB SER 25 12.424 3.924 -5.792 210 HB3 SER 25 1HB SER 25 11.462 4.682 -7.049 211 HG SER 25 HG SER 25 11.574 2.137 -6.459 212 H LYS 26 HN LYS 26 13.486 2.590 -9.430 213 HA LYS 26 HA LYS 26 12.981 4.518 -11.556 214 HB2 LYS 26 2HB LYS 26 13.440 2.723 -13.116 215 HB3 LYS 26 1HB LYS 26 14.733 2.831 -11.933 216 HG2 LYS 26 2HG LYS 26 13.880 0.898 -10.765 217 HG3 LYS 26 1HG LYS 26 12.487 0.826 -11.851 218 HD2 LYS 26 2HD LYS 26 14.009 0.474 -13.748 219 HD3 LYS 26 1HD LYS 26 15.380 0.495 -12.640 220 HE2 LYS 26 2HE LYS 26 14.554 -1.477 -11.519 221 HE3 LYS 26 1HE LYS 26 13.092 -1.461 -12.510 222 HZ1 LYS 26 3HZ LYS 26 15.851 -1.806 -13.554 223 HZ2 LYS 26 1HZ LYS 26 14.419 -1.869 -14.458 224 HZ3 LYS 26 2HZ LYS 26 14.744 -3.065 -13.300 225 H VAL 27 HN VAL 27 11.217 2.714 -9.427 226 HA VAL 27 HA VAL 27 8.928 2.670 -11.280 227 HB VAL 27 HB VAL 27 7.821 1.083 -9.794 228 HG11 VAL 27 1HG1 VAL 27 9.188 0.213 -11.606 229 HG12 VAL 27 2HG1 VAL 27 9.239 -0.863 -10.209 230 HG13 VAL 27 3HG1 VAL 27 10.603 0.203 -10.552 231 HG21 VAL 27 3HG2 VAL 27 9.011 0.043 -7.926 232 HG22 VAL 27 1HG2 VAL 27 8.806 1.777 -7.673 233 HG23 VAL 27 2HG2 VAL 27 10.369 1.138 -8.179 234 H ARG 28 HN ARG 28 10.319 4.451 -8.855 235 HA ARG 28 HA ARG 28 8.242 5.285 -7.225 236 HB2 ARG 28 2HB ARG 28 10.708 6.034 -7.225 237 HB3 ARG 28 1HB ARG 28 10.213 7.232 -8.413 238 HG2 ARG 28 2HG ARG 28 8.363 7.703 -6.549 239 HG3 ARG 28 1HG ARG 28 9.654 7.087 -5.518 240 HD2 ARG 28 2HD ARG 28 10.065 9.373 -5.570 241 HD3 ARG 28 1HD ARG 28 11.164 8.739 -6.795 242 HE ARG 28 HE ARG 28 8.541 9.723 -7.642 243 HH11 ARG 28 1HH1 ARG 28 12.015 10.139 -7.559 244 HH12 ARG 28 2HH1 ARG 28 12.014 11.388 -8.763 245 HH21 ARG 28 1HH2 ARG 28 8.543 11.373 -9.220 246 HH22 ARG 28 2HH2 ARG 28 10.053 12.080 -9.722 247 H ARG 29 HN ARG 29 9.082 6.355 -10.499 248 HA ARG 29 HA ARG 29 7.131 8.361 -10.762 249 HB2 ARG 29 2HB ARG 29 9.031 8.137 -12.287 250 HB3 ARG 29 1HB ARG 29 8.391 6.614 -12.886 251 HG2 ARG 29 2HG ARG 29 6.446 7.778 -13.782 252 HG3 ARG 29 1HG ARG 29 7.077 9.307 -13.167 253 HD2 ARG 29 2HD ARG 29 9.024 9.109 -14.592 254 HD3 ARG 29 1HD ARG 29 8.472 7.536 -15.165 255 HE ARG 29 HE ARG 29 6.421 9.297 -15.717 256 HH11 ARG 29 1HH1 ARG 29 9.805 9.005 -16.550 257 HH12 ARG 29 2HH1 ARG 29 9.616 9.707 -18.127 258 HH21 ARG 29 1HH2 ARG 29 6.160 10.229 -17.806 259 HH22 ARG 29 2HH2 ARG 29 7.553 10.413 -18.831 260 H LYS 30 HN LYS 30 7.029 4.908 -11.410 261 HA LYS 30 HA LYS 30 4.539 4.666 -12.628 262 HB2 LYS 30 2HB LYS 30 6.053 2.797 -12.433 263 HB3 LYS 30 1HB LYS 30 5.988 2.867 -10.681 264 HG2 LYS 30 2HG LYS 30 4.656 1.053 -11.204 265 HG3 LYS 30 1HG LYS 30 3.490 2.351 -10.957 266 HD2 LYS 30 2HD LYS 30 3.111 2.592 -13.264 267 HD3 LYS 30 1HD LYS 30 4.552 1.658 -13.678 268 HE2 LYS 30 2HE LYS 30 2.080 0.577 -12.320 269 HE3 LYS 30 1HE LYS 30 2.498 0.363 -14.020 270 HZ1 LYS 30 3HZ LYS 30 3.093 -1.562 -12.625 271 HZ2 LYS 30 1HZ LYS 30 4.168 -0.591 -11.743 272 HZ3 LYS 30 2HZ LYS 30 4.435 -0.886 -13.395 273 H ILE 31 HN ILE 31 5.350 4.425 -9.192 274 HA ILE 31 HA ILE 31 2.728 4.239 -8.191 275 HB ILE 31 HB ILE 31 5.197 5.337 -6.825 276 HG12 ILE 31 2HG1 ILE 31 4.132 2.505 -6.813 277 HG13 ILE 31 1HG1 ILE 31 5.441 3.053 -7.854 278 HG21 ILE 31 1HG2 ILE 31 4.097 4.619 -4.751 279 HG22 ILE 31 2HG2 ILE 31 2.663 4.176 -5.677 280 HG23 ILE 31 3HG2 ILE 31 3.176 5.862 -5.597 281 HD11 ILE 31 3HD1 ILE 31 6.781 3.588 -5.891 282 HD12 ILE 31 1HD1 ILE 31 6.285 1.894 -5.894 283 HD13 ILE 31 2HD1 ILE 31 5.465 3.052 -4.845 284 H MET 32 HN MET 32 4.848 7.015 -8.734 285 HA MET 32 HA MET 32 3.128 8.966 -7.606 286 HB2 MET 32 2HB MET 32 5.700 8.944 -8.538 287 HB3 MET 32 1HB MET 32 4.879 9.841 -9.806 288 HG2 MET 32 2HG MET 32 4.069 11.447 -8.196 289 HG3 MET 32 1HG MET 32 4.777 10.516 -6.876 290 HE1 MET 32 3HE MET 32 6.999 13.765 -7.075 291 HE2 MET 32 1HE MET 32 5.939 12.793 -6.055 292 HE3 MET 32 2HE MET 32 5.277 13.662 -7.438 293 H ASP 33 HN ASP 33 3.384 7.526 -10.788 294 HA ASP 33 HA ASP 33 1.683 9.399 -12.113 295 HB2 ASP 33 2HB ASP 33 3.372 7.865 -13.223 296 HB3 ASP 33 1HB ASP 33 2.233 6.549 -12.959 297 H MET 34 HN MET 34 1.211 6.502 -10.261 298 HA MET 34 HA MET 34 -1.522 6.081 -10.914 299 HB2 MET 34 2HB MET 34 0.153 5.311 -8.528 300 HB3 MET 34 1HB MET 34 -1.541 4.875 -8.664 301 HG2 MET 34 2HG MET 34 -1.041 3.665 -10.745 302 HG3 MET 34 1HG MET 34 0.664 4.072 -10.549 303 HE1 MET 34 3HE MET 34 1.169 1.431 -10.786 304 HE2 MET 34 1HE MET 34 -0.558 1.091 -10.891 305 HE3 MET 34 2HE MET 34 0.444 0.209 -9.739 306 H GLY 35 HN GLY 35 0.158 8.244 -8.801 307 HA2 GLY 35 2HA GLY 35 -0.875 10.320 -8.188 308 HA3 GLY 35 1HA GLY 35 -2.420 9.486 -8.113 309 H ILE 36 HN ILE 36 0.265 7.854 -6.773 310 HA ILE 36 HA ILE 36 -0.869 8.153 -4.113 311 HB ILE 36 HB ILE 36 1.510 6.498 -4.930 312 HG12 ILE 36 2HG1 ILE 36 -1.370 5.609 -4.681 313 HG13 ILE 36 1HG1 ILE 36 -0.565 5.932 -6.211 314 HG21 ILE 36 1HG2 ILE 36 0.979 5.217 -2.904 315 HG22 ILE 36 2HG2 ILE 36 -0.323 6.351 -2.542 316 HG23 ILE 36 3HG2 ILE 36 1.352 6.903 -2.544 317 HD11 ILE 36 3HD1 ILE 36 1.041 4.142 -5.715 318 HD12 ILE 36 1HD1 ILE 36 -0.623 3.561 -5.772 319 HD13 ILE 36 2HD1 ILE 36 0.174 3.804 -4.218 320 H VAL 37 HN VAL 37 -0.123 9.491 -2.683 321 HA VAL 37 HA VAL 37 2.642 10.469 -2.860 322 HB VAL 37 HB VAL 37 0.404 12.339 -2.111 323 HG11 VAL 37 1HG1 VAL 37 3.204 12.816 -3.111 324 HG12 VAL 37 2HG1 VAL 37 2.635 13.006 -1.452 325 HG13 VAL 37 3HG1 VAL 37 2.027 14.072 -2.719 326 HG21 VAL 37 3HG2 VAL 37 -0.107 11.576 -4.371 327 HG22 VAL 37 1HG2 VAL 37 1.529 11.990 -4.887 328 HG23 VAL 37 2HG2 VAL 37 0.419 13.260 -4.373 329 H ARG 38 HN ARG 38 3.365 11.437 -0.799 330 HA ARG 38 HA ARG 38 2.739 9.775 1.396 331 HB2 ARG 38 2HB ARG 38 4.278 12.368 1.226 332 HB3 ARG 38 1HB ARG 38 4.158 11.403 2.692 333 HG2 ARG 38 2HG ARG 38 5.287 9.572 1.667 334 HG3 ARG 38 1HG ARG 38 5.245 10.361 0.093 335 HD2 ARG 38 2HD ARG 38 7.443 10.598 1.024 336 HD3 ARG 38 1HD ARG 38 6.655 12.175 1.015 337 HE ARG 38 HE ARG 38 6.127 11.151 3.493 338 HH11 ARG 38 1HH1 ARG 38 9.026 11.807 1.636 339 HH12 ARG 38 2HH1 ARG 38 10.013 12.099 3.040 340 HH21 ARG 38 1HH2 ARG 38 7.400 11.560 5.337 341 HH22 ARG 38 2HH2 ARG 38 9.086 11.956 5.147 342 H GLY 39 HN GLY 39 1.123 9.892 2.779 343 HA2 GLY 39 2HA GLY 39 -0.175 11.292 4.329 344 HA3 GLY 39 1HA GLY 39 -0.315 12.463 3.024 345 H THR 40 HN THR 40 -0.651 10.054 1.159 346 HA THR 40 HA THR 40 -3.509 10.080 1.170 347 HB THR 40 HB THR 40 -1.798 8.164 -0.399 348 HG1 THR 40 1HG THR 40 -1.033 10.348 -0.669 349 HG21 THR 40 3HG2 THR 40 -3.595 8.365 -2.058 350 HG22 THR 40 1HG2 THR 40 -4.456 9.468 -0.987 351 HG23 THR 40 2HG2 THR 40 -4.206 7.789 -0.507 352 H GLU 41 HN GLU 41 -4.917 8.357 1.606 353 HA GLU 41 HA GLU 41 -3.787 6.220 3.253 354 HB2 GLU 41 2HB GLU 41 -6.065 5.988 4.150 355 HB3 GLU 41 1HB GLU 41 -5.411 7.587 4.426 356 HG2 GLU 41 2HG GLU 41 -6.694 8.346 2.417 357 HG3 GLU 41 1HG GLU 41 -7.471 6.764 2.399 358 H ILE 42 HN ILE 42 -4.391 4.084 2.878 359 HA ILE 42 HA ILE 42 -5.576 3.589 0.228 360 HB ILE 42 HB ILE 42 -3.069 2.331 1.348 361 HG12 ILE 42 2HG1 ILE 42 -3.495 4.076 -1.088 362 HG13 ILE 42 1HG1 ILE 42 -2.739 4.588 0.417 363 HG21 ILE 42 1HG2 ILE 42 -4.517 1.757 -1.234 364 HG22 ILE 42 2HG2 ILE 42 -4.422 0.686 0.163 365 HG23 ILE 42 3HG2 ILE 42 -2.965 1.074 -0.753 366 HD11 ILE 42 3HD1 ILE 42 -1.694 2.491 -1.471 367 HD12 ILE 42 1HD1 ILE 42 -0.937 2.975 0.048 368 HD13 ILE 42 2HD1 ILE 42 -1.075 4.131 -1.278 369 H TYR 43 HN TYR 43 -7.121 2.095 0.236 370 HA TYR 43 HA TYR 43 -7.436 0.393 2.599 371 HB2 TYR 43 2HB TYR 43 -9.411 1.662 1.879 372 HB3 TYR 43 1HB TYR 43 -9.316 0.931 0.284 373 HD1 TYR 43 2HD TYR 43 -9.566 -0.115 3.874 374 HD2 TYR 43 1HD TYR 43 -10.689 -0.864 -0.161 375 HE1 TYR 43 2HE TYR 43 -11.018 -1.953 4.624 376 HE2 TYR 43 1HE TYR 43 -12.140 -2.707 0.578 377 HH TYR 43 HH TYR 43 -12.434 -4.202 2.428 378 H ILE 44 HN ILE 44 -6.325 -1.452 2.465 379 HA ILE 44 HA ILE 44 -5.669 -2.668 -0.053 380 HB ILE 44 HB ILE 44 -5.370 -3.809 2.732 381 HG12 ILE 44 2HG1 ILE 44 -4.150 -1.694 2.489 382 HG13 ILE 44 1HG1 ILE 44 -3.039 -3.056 2.603 383 HG21 ILE 44 1HG2 ILE 44 -4.033 -4.601 0.148 384 HG22 ILE 44 2HG2 ILE 44 -5.304 -5.503 0.972 385 HG23 ILE 44 3HG2 ILE 44 -3.728 -5.304 1.736 386 HD11 ILE 44 3HD1 ILE 44 -2.692 -2.994 0.207 387 HD12 ILE 44 1HD1 ILE 44 -2.328 -1.431 0.935 388 HD13 ILE 44 2HD1 ILE 44 -3.842 -1.664 0.058 389 H GLU 45 HN GLU 45 -7.171 -3.709 -1.196 390 HA GLU 45 HA GLU 45 -9.528 -4.815 -0.015 391 HB2 GLU 45 2HB GLU 45 -8.430 -5.270 -2.794 392 HB3 GLU 45 1HB GLU 45 -10.076 -5.553 -2.256 393 HG2 GLU 45 2HG GLU 45 -10.315 -3.130 -1.834 394 HG3 GLU 45 1HG GLU 45 -8.700 -2.893 -2.503 395 H GLY 46 HN GLY 46 -6.711 -6.200 -1.671 396 HA2 GLY 46 2HA GLY 46 -6.356 -8.328 0.116 397 HA3 GLY 46 1HA GLY 46 -7.351 -8.893 -1.219 398 H LYS 47 HN LYS 47 -5.136 -10.200 -1.037 399 HA LYS 47 HA LYS 47 -3.378 -9.049 -3.102 400 HB2 LYS 47 2HB LYS 47 -2.574 -10.902 -0.838 401 HB3 LYS 47 1HB LYS 47 -1.513 -10.315 -2.107 402 HG2 LYS 47 2HG LYS 47 -1.579 -8.105 -1.291 403 HG3 LYS 47 1HG LYS 47 -2.936 -8.460 -0.223 404 HD2 LYS 47 2HD LYS 47 -0.822 -8.294 1.011 405 HD3 LYS 47 1HD LYS 47 -1.522 -9.910 1.125 406 HE2 LYS 47 2HE LYS 47 0.006 -10.655 -0.677 407 HE3 LYS 47 1HE LYS 47 0.738 -9.049 -0.680 408 HZ1 LYS 47 3HZ LYS 47 1.583 -9.368 1.477 409 HZ2 LYS 47 1HZ LYS 47 1.907 -10.815 0.656 410 HZ3 LYS 47 2HZ LYS 47 0.620 -10.730 1.756 411 H ALA 48 HN ALA 48 -2.815 -10.410 -4.779 412 HA ALA 48 HA ALA 48 -4.502 -12.556 -5.423 413 HB1 ALA 48 1HB ALA 48 -1.751 -11.895 -6.489 414 HB2 ALA 48 2HB ALA 48 -3.290 -11.315 -7.125 415 HB3 ALA 48 3HB ALA 48 -2.885 -13.028 -7.229 416 HA PRO 49 HA PRO 49 -3.108 -16.118 -3.279 417 HB2 PRO 49 2HB PRO 49 -2.666 -17.899 -5.379 418 HB3 PRO 49 1HB PRO 49 -4.209 -17.615 -4.571 419 HG2 PRO 49 2HG PRO 49 -3.175 -16.491 -7.136 420 HG3 PRO 49 1HG PRO 49 -4.822 -16.998 -6.714 421 HD2 PRO 49 2HD PRO 49 -4.152 -14.416 -6.807 422 HD3 PRO 49 1HD PRO 49 -5.261 -15.027 -5.560 423 H MET 50 HN MET 50 -1.142 -14.984 -5.935 424 HA MET 50 HA MET 50 1.181 -16.525 -5.148 425 HB2 MET 50 2HB MET 50 0.921 -14.277 -7.158 426 HB3 MET 50 1HB MET 50 2.317 -15.327 -6.967 427 HG2 MET 50 2HG MET 50 1.019 -17.240 -7.674 428 HG3 MET 50 1HG MET 50 -0.432 -16.243 -7.780 429 HE1 MET 50 3HE MET 50 -0.912 -16.993 -10.246 430 HE2 MET 50 1HE MET 50 0.494 -18.058 -10.202 431 HE3 MET 50 2HE MET 50 0.278 -16.937 -11.546 432 H GLY 51 HN GLY 51 -0.290 -13.695 -4.124 433 HA2 GLY 51 2HA GLY 51 0.463 -12.198 -2.488 434 HA3 GLY 51 1HA GLY 51 2.108 -12.759 -2.754 435 H ASP 52 HN ASP 52 0.924 -12.358 -5.714 436 HA ASP 52 HA ASP 52 1.215 -9.492 -5.987 437 HB2 ASP 52 2HB ASP 52 3.527 -10.078 -6.130 438 HB3 ASP 52 1HB ASP 52 3.182 -11.483 -7.132 439 HA PRO 53 HA PRO 53 0.959 -8.062 -7.306 440 HB2 PRO 53 2HB PRO 53 -1.334 -6.785 -8.438 441 HB3 PRO 53 1HB PRO 53 0.321 -6.772 -9.046 442 HG2 PRO 53 2HG PRO 53 -1.831 -7.995 -10.293 443 HG3 PRO 53 1HG PRO 53 -0.125 -8.355 -10.604 444 HD2 PRO 53 2HD PRO 53 -2.104 -9.833 -8.925 445 HD3 PRO 53 1HD PRO 53 -0.790 -10.461 -9.943 446 H ILE 54 HN ILE 54 -0.297 -6.188 -6.201 447 HA ILE 54 HA ILE 54 -2.229 -7.375 -4.317 448 HB ILE 54 HB ILE 54 -0.466 -4.939 -3.925 449 HG12 ILE 54 2HG1 ILE 54 0.452 -6.491 -2.034 450 HG13 ILE 54 1HG1 ILE 54 -0.218 -7.791 -3.013 451 HG21 ILE 54 1HG2 ILE 54 -1.249 -4.981 -1.601 452 HG22 ILE 54 2HG2 ILE 54 -2.335 -6.313 -1.996 453 HG23 ILE 54 3HG2 ILE 54 -2.576 -4.730 -2.736 454 HD11 ILE 54 3HD1 ILE 54 1.189 -7.108 -4.884 455 HD12 ILE 54 1HD1 ILE 54 2.151 -7.468 -3.450 456 HD13 ILE 54 2HD1 ILE 54 1.847 -5.793 -3.910 457 H ALA 55 HN ALA 55 -4.188 -6.340 -3.964 458 HA ALA 55 HA ALA 55 -4.857 -4.251 -5.915 459 HB1 ALA 55 1HB ALA 55 -6.215 -6.267 -6.016 460 HB2 ALA 55 2HB ALA 55 -7.185 -4.877 -5.527 461 HB3 ALA 55 3HB ALA 55 -6.670 -6.058 -4.323 462 H LEU 56 HN LEU 56 -4.803 -2.245 -5.182 463 HA LEU 56 HA LEU 56 -5.484 -1.743 -2.352 464 HB2 LEU 56 2HB LEU 56 -3.737 -0.005 -4.078 465 HB3 LEU 56 1HB LEU 56 -4.009 0.146 -2.362 466 HG LEU 56 HG LEU 56 -2.833 -2.133 -2.161 467 HD11 LEU 56 1HD1 LEU 56 -2.870 -2.707 -4.541 468 HD12 LEU 56 2HD1 LEU 56 -1.223 -2.631 -3.915 469 HD13 LEU 56 3HD1 LEU 56 -1.856 -1.306 -4.893 470 HD21 LEU 56 3HD2 LEU 56 -0.643 -1.035 -2.133 471 HD22 LEU 56 1HD2 LEU 56 -1.889 -0.031 -1.390 472 HD23 LEU 56 2HD2 LEU 56 -1.322 0.330 -3.020 473 H ARG 57 HN ARG 57 -7.113 -0.343 -1.983 474 HA ARG 57 HA ARG 57 -8.184 1.147 -4.270 475 HB2 ARG 57 2HB ARG 57 -9.779 -0.172 -2.863 476 HB3 ARG 57 1HB ARG 57 -9.366 0.858 -1.499 477 HG2 ARG 57 2HG ARG 57 -10.113 2.812 -2.896 478 HG3 ARG 57 1HG ARG 57 -10.745 1.643 -4.049 479 HD2 ARG 57 2HD ARG 57 -12.306 0.801 -2.495 480 HD3 ARG 57 1HD ARG 57 -11.523 1.623 -1.147 481 HE ARG 57 HE ARG 57 -12.253 3.682 -2.705 482 HH11 ARG 57 1HH1 ARG 57 -14.046 0.891 -1.574 483 HH12 ARG 57 2HH1 ARG 57 -15.562 1.739 -1.515 484 HH21 ARG 57 1HH2 ARG 57 -14.227 4.795 -2.604 485 HH22 ARG 57 2HH2 ARG 57 -15.660 3.966 -2.074 486 H LEU 58 HN LEU 58 -7.182 3.031 -4.549 487 HA LEU 58 HA LEU 58 -6.755 4.759 -2.230 488 HB2 LEU 58 2HB LEU 58 -4.461 5.288 -3.113 489 HB3 LEU 58 1HB LEU 58 -4.649 3.697 -2.404 490 HG LEU 58 HG LEU 58 -5.070 2.992 -4.922 491 HD11 LEU 58 1HD1 LEU 58 -3.661 4.252 -6.463 492 HD12 LEU 58 2HD1 LEU 58 -3.333 5.439 -5.201 493 HD13 LEU 58 3HD1 LEU 58 -4.971 5.251 -5.829 494 HD21 LEU 58 3HD2 LEU 58 -2.358 3.549 -3.736 495 HD22 LEU 58 1HD2 LEU 58 -2.675 2.476 -5.100 496 HD23 LEU 58 2HD2 LEU 58 -3.329 2.093 -3.506 497 H ARG 59 HN ARG 59 -6.620 6.964 -2.718 498 HA ARG 59 HA ARG 59 -6.900 8.907 -3.849 499 HB2 ARG 59 2HB ARG 59 -5.257 7.934 -5.453 500 HB3 ARG 59 1HB ARG 59 -6.601 7.286 -6.382 501 HG2 ARG 59 2HG ARG 59 -7.397 9.522 -6.849 502 HG3 ARG 59 1HG ARG 59 -6.120 10.210 -5.845 503 HD2 ARG 59 2HD ARG 59 -4.444 9.212 -7.364 504 HD3 ARG 59 1HD ARG 59 -5.756 8.629 -8.387 505 HE ARG 59 HE ARG 59 -6.132 11.361 -8.071 506 HH11 ARG 59 1HH1 ARG 59 -3.749 9.215 -9.485 507 HH12 ARG 59 2HH1 ARG 59 -3.218 10.376 -10.666 508 HH21 ARG 59 1HH2 ARG 59 -5.451 12.881 -9.623 509 HH22 ARG 59 2HH2 ARG 59 -4.188 12.470 -10.744 510 H GLY 60 HN GLY 60 -8.873 6.179 -4.493 511 HA2 GLY 60 2HA GLY 60 -11.300 7.179 -4.111 512 HA3 GLY 60 1HA GLY 60 -10.984 7.746 -5.744 513 H TYR 61 HN TYR 61 -9.365 5.282 -6.291 514 HA TYR 61 HA TYR 61 -11.454 3.247 -6.293 515 HB2 TYR 61 2HB TYR 61 -10.865 2.811 -8.767 516 HB3 TYR 61 1HB TYR 61 -11.947 4.143 -8.386 517 HD1 TYR 61 1HD TYR 61 -8.548 3.252 -9.491 518 HD2 TYR 61 2HD TYR 61 -11.307 6.414 -8.801 519 HE1 TYR 61 1HE TYR 61 -7.086 4.790 -10.733 520 HE2 TYR 61 2HE TYR 61 -9.857 7.960 -10.043 521 HH TYR 61 HH TYR 61 -7.333 6.943 -12.012 522 H SER 62 HN SER 62 -10.598 1.138 -7.187 523 HA SER 62 HA SER 62 -8.150 0.605 -5.786 524 HB2 SER 62 2HB SER 62 -9.768 -1.418 -7.285 525 HB3 SER 62 1HB SER 62 -8.848 -1.608 -5.803 526 HG SER 62 HG SER 62 -10.841 -1.475 -5.025 527 H LEU 63 HN LEU 63 -6.253 -0.013 -6.622 528 HA LEU 63 HA LEU 63 -6.010 -0.552 -9.503 529 HB2 LEU 63 2HB LEU 63 -4.218 1.247 -7.858 530 HB3 LEU 63 1HB LEU 63 -3.859 0.713 -9.488 531 HG LEU 63 HG LEU 63 -6.239 2.413 -8.730 532 HD11 LEU 63 1HD1 LEU 63 -5.033 4.249 -9.762 533 HD12 LEU 63 2HD1 LEU 63 -3.650 3.199 -10.064 534 HD13 LEU 63 3HD1 LEU 63 -4.111 3.592 -8.408 535 HD21 LEU 63 3HD2 LEU 63 -6.637 1.067 -10.712 536 HD22 LEU 63 1HD2 LEU 63 -5.109 1.609 -11.411 537 HD23 LEU 63 2HD2 LEU 63 -6.421 2.760 -11.157 538 H SER 64 HN SER 64 -4.013 -1.790 -10.013 539 HA SER 64 HA SER 64 -3.335 -3.524 -7.759 540 HB2 SER 64 2HB SER 64 -2.506 -4.977 -9.789 541 HB3 SER 64 1HB SER 64 -4.211 -4.930 -9.357 542 HG SER 64 HG SER 64 -3.084 -4.278 -11.663 543 H LEU 65 HN LEU 65 -1.392 -3.392 -6.907 544 HA LEU 65 HA LEU 65 0.769 -2.119 -8.459 545 HB2 LEU 65 2HB LEU 65 -0.001 -1.030 -6.315 546 HB3 LEU 65 1HB LEU 65 0.564 -2.451 -5.462 547 HG LEU 65 HG LEU 65 2.863 -1.978 -6.350 548 HD11 LEU 65 1HD1 LEU 65 1.564 0.599 -7.213 549 HD12 LEU 65 2HD1 LEU 65 2.276 -0.626 -8.264 550 HD13 LEU 65 3HD1 LEU 65 3.302 0.300 -7.168 551 HD21 LEU 65 3HD2 LEU 65 1.590 0.176 -4.666 552 HD22 LEU 65 1HD2 LEU 65 3.316 -0.173 -4.767 553 HD23 LEU 65 2HD2 LEU 65 2.213 -1.366 -4.080 554 H ARG 66 HN ARG 66 2.807 -3.117 -8.521 555 HA ARG 66 HA ARG 66 2.728 -5.987 -8.286 556 HB2 ARG 66 2HB ARG 66 4.918 -4.070 -9.106 557 HB3 ARG 66 1HB ARG 66 5.093 -5.823 -9.123 558 HG2 ARG 66 2HG ARG 66 2.793 -4.611 -10.563 559 HG3 ARG 66 1HG ARG 66 4.401 -4.498 -11.282 560 HD2 ARG 66 2HD ARG 66 3.401 -7.124 -10.267 561 HD3 ARG 66 1HD ARG 66 2.858 -6.526 -11.836 562 HE ARG 66 HE ARG 66 5.200 -6.477 -12.516 563 HH11 ARG 66 1HH1 ARG 66 4.429 -8.367 -9.655 564 HH12 ARG 66 2HH1 ARG 66 5.810 -9.412 -9.841 565 HH21 ARG 66 1HH2 ARG 66 6.993 -7.860 -12.750 566 HH22 ARG 66 2HH2 ARG 66 7.244 -9.140 -11.598 567 H LYS 67 HN LYS 67 4.056 -7.282 -6.994 568 HA LYS 67 HA LYS 67 4.275 -6.527 -4.312 569 HB2 LYS 67 2HB LYS 67 4.214 -8.865 -5.395 570 HB3 LYS 67 1HB LYS 67 5.951 -8.688 -5.573 571 HG2 LYS 67 2HG LYS 67 4.668 -8.342 -2.896 572 HG3 LYS 67 1HG LYS 67 4.985 -9.954 -3.535 573 HD2 LYS 67 2HD LYS 67 7.366 -9.327 -3.810 574 HD3 LYS 67 1HD LYS 67 7.010 -7.770 -3.061 575 HE2 LYS 67 2HE LYS 67 6.332 -8.870 -1.013 576 HE3 LYS 67 1HE LYS 67 6.559 -10.452 -1.757 577 HZ1 LYS 67 3HZ LYS 67 8.662 -8.455 -1.117 578 HZ2 LYS 67 1HZ LYS 67 8.937 -9.853 -2.040 579 HZ3 LYS 67 2HZ LYS 67 8.445 -9.987 -0.422 580 H SER 68 HN SER 68 6.662 -6.472 -6.896 581 HA SER 68 HA SER 68 8.910 -5.823 -5.351 582 HB2 SER 68 2HB SER 68 8.385 -4.896 -8.179 583 HB3 SER 68 1HB SER 68 9.946 -5.193 -7.415 584 HG SER 68 HG SER 68 9.486 -6.976 -8.648 585 H GLU 69 HN GLU 69 6.561 -3.770 -7.035 586 HA GLU 69 HA GLU 69 7.728 -1.278 -6.350 587 HB2 GLU 69 2HB GLU 69 4.839 -1.859 -7.014 588 HB3 GLU 69 1HB GLU 69 5.670 -0.322 -7.178 589 HG2 GLU 69 2HG GLU 69 7.041 -1.194 -8.951 590 HG3 GLU 69 1HG GLU 69 6.364 -2.806 -8.728 591 H ALA 70 HN ALA 70 5.438 -3.390 -4.829 592 HA ALA 70 HA ALA 70 4.336 -1.685 -2.916 593 HB1 ALA 70 1HB ALA 70 4.855 -4.643 -2.660 594 HB2 ALA 70 2HB ALA 70 3.454 -3.911 -3.443 595 HB3 ALA 70 3HB ALA 70 3.710 -3.694 -1.711 596 H LYS 71 HN LYS 71 7.513 -3.057 -3.084 597 HA LYS 71 HA LYS 71 8.039 -2.734 -0.260 598 HB2 LYS 71 2HB LYS 71 9.192 -4.467 -1.621 599 HB3 LYS 71 1HB LYS 71 9.994 -3.190 -2.526 600 HG2 LYS 71 2HG LYS 71 11.073 -2.418 -0.473 601 HG3 LYS 71 1HG LYS 71 10.288 -3.716 0.425 602 HD2 LYS 71 2HD LYS 71 11.459 -5.366 -0.980 603 HD3 LYS 71 1HD LYS 71 12.262 -4.043 -1.832 604 HE2 LYS 71 2HE LYS 71 13.285 -3.309 0.250 605 HE3 LYS 71 1HE LYS 71 12.468 -4.605 1.122 606 HZ1 LYS 71 3HZ LYS 71 14.514 -4.931 -1.007 607 HZ2 LYS 71 1HZ LYS 71 13.687 -6.204 -0.250 608 HZ3 LYS 71 2HZ LYS 71 14.728 -5.213 0.648 609 H ASP 72 HN ASP 72 8.183 -0.803 -3.104 610 HA ASP 72 HA ASP 72 10.127 1.076 -2.161 611 HB2 ASP 72 2HB ASP 72 8.182 1.108 -4.471 612 HB3 ASP 72 1HB ASP 72 9.268 2.444 -4.126 613 H ILE 73 HN ILE 73 6.994 0.508 -1.250 614 HA ILE 73 HA ILE 73 6.642 3.298 -0.375 615 HB ILE 73 HB ILE 73 4.501 1.306 -1.137 616 HG12 ILE 73 2HG1 ILE 73 5.579 2.428 -3.044 617 HG13 ILE 73 1HG1 ILE 73 3.907 2.950 -2.857 618 HG21 ILE 73 1HG2 ILE 73 3.798 2.560 0.823 619 HG22 ILE 73 2HG2 ILE 73 2.880 3.061 -0.598 620 HG23 ILE 73 3HG2 ILE 73 4.186 4.076 0.010 621 HD11 ILE 73 3HD1 ILE 73 4.651 5.009 -1.808 622 HD12 ILE 73 1HD1 ILE 73 5.390 4.807 -3.396 623 HD13 ILE 73 2HD1 ILE 73 6.329 4.483 -1.939 624 H LEU 74 HN LEU 74 6.618 3.582 1.753 625 HA LEU 74 HA LEU 74 6.190 1.249 3.486 626 HB2 LEU 74 2HB LEU 74 7.634 3.847 4.014 627 HB3 LEU 74 1HB LEU 74 7.404 2.575 5.193 628 HG LEU 74 HG LEU 74 8.996 2.336 2.640 629 HD11 LEU 74 1HD1 LEU 74 9.879 2.493 5.518 630 HD12 LEU 74 2HD1 LEU 74 10.098 3.739 4.291 631 HD13 LEU 74 3HD1 LEU 74 10.931 2.192 4.135 632 HD21 LEU 74 3HD2 LEU 74 8.595 0.364 4.889 633 HD22 LEU 74 1HD2 LEU 74 9.689 0.158 3.521 634 HD23 LEU 74 2HD2 LEU 74 7.945 0.221 3.256 635 H VAL 75 HN VAL 75 4.376 1.197 4.638 636 HA VAL 75 HA VAL 75 2.861 3.708 4.971 637 HB VAL 75 HB VAL 75 0.772 2.384 4.587 638 HG11 VAL 75 1HG1 VAL 75 0.967 2.300 2.144 639 HG12 VAL 75 2HG1 VAL 75 2.721 2.433 2.284 640 HG13 VAL 75 3HG1 VAL 75 1.691 3.767 2.806 641 HG21 VAL 75 3HG2 VAL 75 0.938 0.217 3.459 642 HG22 VAL 75 1HG2 VAL 75 1.667 0.162 5.063 643 HG23 VAL 75 2HG2 VAL 75 2.693 0.260 3.632 644 H GLU 76 HN GLU 76 1.509 3.846 6.784 645 HA GLU 76 HA GLU 76 2.214 2.036 8.953 646 HB2 GLU 76 2HB GLU 76 1.131 3.624 10.427 647 HB3 GLU 76 1HB GLU 76 2.243 4.473 9.367 648 HG2 GLU 76 2HG GLU 76 0.435 5.288 8.020 649 HG3 GLU 76 1HG GLU 76 -0.726 4.304 8.913 650 H VAL 77 HN VAL 77 0.782 0.679 9.941 651 HA VAL 77 HA VAL 77 -1.575 0.030 8.366 652 HB VAL 77 HB VAL 77 -0.518 -1.400 10.809 653 HG11 VAL 77 1HG1 VAL 77 -1.756 -3.322 9.852 654 HG12 VAL 77 2HG1 VAL 77 -2.414 -2.245 8.621 655 HG13 VAL 77 3HG1 VAL 77 -2.803 -1.983 10.322 656 HG21 VAL 77 3HG2 VAL 77 1.216 -1.329 9.109 657 HG22 VAL 77 1HG2 VAL 77 0.075 -1.905 7.894 658 HG23 VAL 77 2HG2 VAL 77 0.550 -2.957 9.226 659 H LEU 78 HN LEU 78 -3.383 1.111 8.796 660 HA LEU 78 HA LEU 78 -3.851 2.309 11.365 661 HB2 LEU 78 2HB LEU 78 -5.674 2.111 8.972 662 HB3 LEU 78 1HB LEU 78 -5.937 3.132 10.372 663 HG LEU 78 HG LEU 78 -3.672 3.415 8.393 664 HD11 LEU 78 1HD1 LEU 78 -5.822 4.055 7.447 665 HD12 LEU 78 2HD1 LEU 78 -4.814 5.473 7.730 666 HD13 LEU 78 3HD1 LEU 78 -6.135 5.099 8.835 667 HD21 LEU 78 3HD2 LEU 78 -3.174 5.494 9.578 668 HD22 LEU 78 1HD2 LEU 78 -3.018 4.097 10.643 669 HD23 LEU 78 2HD2 LEU 78 -4.442 5.132 10.750 670 H LEU 79 HN LEU 79 -4.749 -0.571 9.768 671 HA LEU 79 HA LEU 79 -6.592 -1.227 11.909 672 HB2 LEU 79 2HB LEU 79 -6.439 -2.212 9.081 673 HB3 LEU 79 1HB LEU 79 -7.383 -3.027 10.307 674 HG LEU 79 HG LEU 79 -7.791 -0.187 9.372 675 HD11 LEU 79 1HD1 LEU 79 -9.437 -2.672 8.927 676 HD12 LEU 79 2HD1 LEU 79 -8.475 -1.829 7.713 677 HD13 LEU 79 3HD1 LEU 79 -9.878 -1.038 8.432 678 HD21 LEU 79 3HD2 LEU 79 -8.346 -0.455 11.733 679 HD22 LEU 79 1HD2 LEU 79 -9.365 -1.840 11.346 680 HD23 LEU 79 2HD2 LEU 79 -9.803 -0.234 10.763 681 H GLU 80 HN GLU 80 -4.907 -1.820 13.309 682 HA GLU 80 HA GLU 80 -3.915 -4.528 12.796 683 HB2 GLU 80 2HB GLU 80 -2.001 -3.142 12.335 684 HB3 GLU 80 1HB GLU 80 -2.282 -2.180 13.777 685 HG2 GLU 80 2HG GLU 80 -0.406 -3.656 14.100 686 HG3 GLU 80 1HG GLU 80 -1.728 -4.101 15.175 687 H HIS 81 HN HIS 81 -4.216 -5.850 14.471 688 HA HIS 81 HA HIS 81 -4.764 -4.713 17.116 689 HB2 HIS 81 2HB HIS 81 -6.908 -5.263 15.796 690 HB3 HIS 81 1HB HIS 81 -6.445 -6.950 15.982 691 HD1 HIS 81 1HD HIS 81 -7.037 -3.931 18.215 692 HD2 HIS 81 2HD HIS 81 -7.452 -8.070 18.235 693 HE1 HIS 81 1HE HIS 81 -8.198 -4.486 20.378 694 HE2 HIS 81 2HE HIS 81 -8.605 -6.972 20.279 695 H HIS 82 HN HIS 82 -2.839 -5.391 17.877 696 HA HIS 82 HA HIS 82 -1.342 -7.523 17.024 697 HB2 HIS 82 2HB HIS 82 -1.337 -6.032 19.630 698 HB3 HIS 82 1HB HIS 82 -0.193 -7.333 19.319 699 HD1 HIS 82 1HD HIS 82 0.554 -4.277 19.701 700 HD2 HIS 82 2HD HIS 82 0.239 -6.313 16.089 701 HE1 HIS 82 1HE HIS 82 1.980 -3.000 18.074 702 HE2 HIS 82 2HE HIS 82 1.965 -4.390 15.969 703 H HIS 83 HN HIS 83 -1.985 -9.527 16.895 704 HA HIS 83 HA HIS 83 -2.331 -10.904 19.463 705 HB2 HIS 83 2HB HIS 83 -4.082 -11.146 17.057 706 HB3 HIS 83 1HB HIS 83 -3.729 -12.608 17.973 707 HD1 HIS 83 1HD HIS 83 -4.601 -12.706 20.433 708 HD2 HIS 83 2HD HIS 83 -5.860 -9.386 18.264 709 HE1 HIS 83 1HE HIS 83 -6.513 -11.727 21.739 710 HE2 HIS 83 2HE HIS 83 -7.183 -9.652 20.480 711 H HIS 84 HN HIS 84 -2.275 -12.160 16.148 712 HA HIS 84 HA HIS 84 0.196 -13.586 16.833 713 HB2 HIS 84 2HB HIS 84 -1.908 -14.807 15.985 714 HB3 HIS 84 1HB HIS 84 -1.530 -14.114 14.414 715 HD1 HIS 84 1HD HIS 84 -1.553 -17.151 14.816 716 HD2 HIS 84 2HD HIS 84 1.853 -14.786 15.165 717 HE1 HIS 84 1HE HIS 84 0.395 -18.699 14.437 718 HE2 HIS 84 2HE HIS 84 2.442 -17.278 14.833 719 H HIS 85 HN HIS 85 0.914 -11.178 16.524 720 HA HIS 85 HA HIS 85 2.435 -11.091 14.112 721 HB2 HIS 85 2HB HIS 85 0.263 -10.229 13.274 722 HB3 HIS 85 1HB HIS 85 0.321 -8.955 14.484 723 HD1 HIS 85 1HD HIS 85 1.810 -6.929 13.992 724 HD2 HIS 85 2HD HIS 85 2.037 -9.904 11.103 725 HE1 HIS 85 1HE HIS 85 3.067 -5.907 12.072 726 HE2 HIS 85 2HE HIS 85 2.999 -7.655 10.257 727 H HIS 86 HN HIS 86 4.263 -10.791 15.250 728 HA HIS 86 HA HIS 86 4.584 -8.158 16.452 729 HB2 HIS 86 2HB HIS 86 5.930 -9.100 18.341 730 HB3 HIS 86 1HB HIS 86 4.215 -9.454 18.433 731 HD1 HIS 86 1HD HIS 86 3.888 -11.689 19.377 732 HD2 HIS 86 2HD HIS 86 7.245 -11.561 16.921 733 HE1 HIS 86 1HE HIS 86 4.841 -14.017 19.402 734 HE2 HIS 86 2HE HIS 86 6.981 -13.857 18.088 Start of MODEL 4 1 H1 MET 1 H1 MET 1 7.783 5.422 17.248 2 H2 MET 1 H2 MET 1 7.128 4.049 17.996 3 H3 MET 1 H3 MET 1 7.513 5.414 18.923 4 HA MET 1 HA MET 1 5.134 5.220 18.553 5 HB2 MET 1 2HB MET 1 6.179 7.449 18.821 6 HB3 MET 1 1HB MET 1 6.401 7.544 17.080 7 HG2 MET 1 2HG MET 1 3.934 7.384 16.820 8 HG3 MET 1 1HG MET 1 3.794 7.470 18.576 9 HE1 MET 1 2HE MET 1 6.332 9.352 16.218 10 HE2 MET 1 3HE MET 1 5.474 10.865 15.937 11 HE3 MET 1 1HE MET 1 4.825 9.353 15.301 12 H THR 2 HN THR 2 6.451 6.478 15.502 13 HA THR 2 HA THR 2 4.485 4.869 14.050 14 HB THR 2 HB THR 2 6.218 7.199 13.196 15 HG1 THR 2 1HG THR 2 3.381 6.909 13.259 16 HG21 THR 2 3HG2 THR 2 6.065 5.653 11.318 17 HG22 THR 2 1HG2 THR 2 5.081 7.085 11.018 18 HG23 THR 2 2HG2 THR 2 4.312 5.574 11.505 19 H LYS 3 HN LYS 3 5.052 3.194 12.777 20 HA LYS 3 HA LYS 3 7.936 2.645 12.500 21 HB2 LYS 3 2HB LYS 3 6.701 1.316 14.324 22 HB3 LYS 3 1HB LYS 3 5.898 0.483 13.000 23 HG2 LYS 3 2HG LYS 3 8.018 -0.315 12.164 24 HG3 LYS 3 1HG LYS 3 8.880 0.601 13.402 25 HD2 LYS 3 2HD LYS 3 7.619 -0.730 15.120 26 HD3 LYS 3 1HD LYS 3 7.025 -1.740 13.800 27 HE2 LYS 3 2HE LYS 3 9.926 -1.293 14.498 28 HE3 LYS 3 1HE LYS 3 8.981 -2.720 14.919 29 HZ1 LYS 3 3HZ LYS 3 8.764 -3.296 12.641 30 HZ2 LYS 3 1HZ LYS 3 10.403 -2.961 12.909 31 HZ3 LYS 3 2HZ LYS 3 9.427 -1.824 12.121 32 H GLY 4 HN GLY 4 8.145 3.113 10.387 33 HA2 GLY 4 2HA GLY 4 6.158 2.634 8.432 34 HA3 GLY 4 1HA GLY 4 7.834 3.053 8.115 35 H ILE 5 HN ILE 5 5.485 0.668 7.959 36 HA ILE 5 HA ILE 5 7.472 -1.457 7.538 37 HB ILE 5 HB ILE 5 5.634 -3.037 7.550 38 HG12 ILE 5 2HG1 ILE 5 3.796 -0.671 7.985 39 HG13 ILE 5 1HG1 ILE 5 3.961 -1.542 6.465 40 HG21 ILE 5 1HG2 ILE 5 4.873 -2.783 9.857 41 HG22 ILE 5 2HG2 ILE 5 5.408 -1.102 9.852 42 HG23 ILE 5 3HG2 ILE 5 6.588 -2.403 9.700 43 HD11 ILE 5 3HD1 ILE 5 3.155 -3.581 7.569 44 HD12 ILE 5 1HD1 ILE 5 1.984 -2.263 7.640 45 HD13 ILE 5 2HD1 ILE 5 2.943 -2.668 9.064 46 H GLY 6 HN GLY 6 7.172 -2.834 5.606 47 HA2 GLY 6 2HA GLY 6 6.762 -1.170 3.277 48 HA3 GLY 6 1HA GLY 6 7.259 -2.856 3.282 49 H LEU 7 HN LEU 7 5.206 -1.423 1.690 50 HA LEU 7 HA LEU 7 2.621 -2.067 2.534 51 HB2 LEU 7 2HB LEU 7 3.206 -0.548 0.659 52 HB3 LEU 7 1HB LEU 7 3.657 -1.945 -0.298 53 HG LEU 7 HG LEU 7 1.297 -2.760 -0.096 54 HD11 LEU 7 1HD1 LEU 7 0.662 -1.552 1.913 55 HD12 LEU 7 2HD1 LEU 7 -0.414 -1.142 0.578 56 HD13 LEU 7 3HD1 LEU 7 0.851 -0.016 1.070 57 HD21 LEU 7 3HD2 LEU 7 0.404 -1.189 -1.748 58 HD22 LEU 7 1HD2 LEU 7 2.081 -1.606 -2.095 59 HD23 LEU 7 2HD2 LEU 7 1.694 -0.049 -1.363 60 H ASN 8 HN ASN 8 5.113 -4.034 1.148 61 HA ASN 8 HA ASN 8 3.385 -6.194 0.381 62 HB2 ASN 8 2HB ASN 8 5.406 -7.400 -0.151 63 HB3 ASN 8 1HB ASN 8 5.565 -5.748 -0.733 64 HD21 ASN 8 1HD2 ASN 8 7.019 -4.353 0.284 65 HD22 ASN 8 2HD2 ASN 8 8.268 -4.940 1.338 66 H GLU 9 HN GLU 9 4.559 -5.090 3.337 67 HA GLU 9 HA GLU 9 4.588 -7.709 4.597 68 HB2 GLU 9 2HB GLU 9 4.984 -4.923 5.700 69 HB3 GLU 9 1HB GLU 9 5.052 -6.382 6.666 70 HG2 GLU 9 2HG GLU 9 6.931 -7.165 5.269 71 HG3 GLU 9 1HG GLU 9 6.892 -5.624 4.416 72 H VAL 10 HN VAL 10 2.393 -5.309 3.763 73 HA VAL 10 HA VAL 10 0.636 -5.527 6.025 74 HB VAL 10 HB VAL 10 -0.047 -4.404 3.314 75 HG11 VAL 10 1HG1 VAL 10 -1.956 -4.700 4.775 76 HG12 VAL 10 2HG1 VAL 10 -1.597 -2.984 4.581 77 HG13 VAL 10 3HG1 VAL 10 -1.130 -3.819 6.062 78 HG21 VAL 10 3HG2 VAL 10 0.668 -2.215 4.181 79 HG22 VAL 10 1HG2 VAL 10 2.008 -3.356 4.051 80 HG23 VAL 10 2HG2 VAL 10 1.292 -3.012 5.625 81 H GLU 11 HN GLU 11 -1.544 -6.325 5.887 82 HA GLU 11 HA GLU 11 -1.637 -8.805 4.327 83 HB2 GLU 11 2HB GLU 11 -1.657 -8.857 6.860 84 HB3 GLU 11 1HB GLU 11 -3.248 -8.120 6.784 85 HG2 GLU 11 2HG GLU 11 -4.148 -10.029 5.672 86 HG3 GLU 11 1HG GLU 11 -2.545 -10.742 5.494 87 H ILE 12 HN ILE 12 -3.989 -9.532 3.951 88 HA ILE 12 HA ILE 12 -5.137 -7.599 2.189 89 HB ILE 12 HB ILE 12 -6.834 -9.324 1.710 90 HG12 ILE 12 2HG1 ILE 12 -5.371 -10.944 3.810 91 HG13 ILE 12 1HG1 ILE 12 -6.993 -10.282 3.985 92 HG21 ILE 12 1HG2 ILE 12 -3.993 -10.330 1.771 93 HG22 ILE 12 2HG2 ILE 12 -4.725 -9.337 0.511 94 HG23 ILE 12 3HG2 ILE 12 -5.289 -10.988 0.774 95 HD11 ILE 12 3HD1 ILE 12 -7.758 -11.694 2.141 96 HD12 ILE 12 1HD1 ILE 12 -7.066 -12.642 3.458 97 HD13 ILE 12 2HD1 ILE 12 -6.131 -12.360 1.989 98 H LYS 13 HN LYS 13 -7.153 -6.646 2.270 99 HA LYS 13 HA LYS 13 -8.796 -5.430 3.214 100 HB2 LYS 13 2HB LYS 13 -9.733 -7.721 3.550 101 HB3 LYS 13 1HB LYS 13 -9.034 -7.729 5.162 102 HG2 LYS 13 2HG LYS 13 -10.463 -5.963 5.875 103 HG3 LYS 13 1HG LYS 13 -11.026 -5.676 4.227 104 HD2 LYS 13 2HD LYS 13 -11.451 -8.235 5.765 105 HD3 LYS 13 1HD LYS 13 -12.648 -6.946 5.613 106 HE2 LYS 13 2HE LYS 13 -12.804 -7.261 3.259 107 HE3 LYS 13 1HE LYS 13 -11.404 -8.334 3.249 108 HZ1 LYS 13 3HZ LYS 13 -12.634 -9.993 4.395 109 HZ2 LYS 13 1HZ LYS 13 -13.578 -9.481 3.085 110 HZ3 LYS 13 2HZ LYS 13 -13.947 -8.955 4.659 111 H SER 14 HN SER 14 -6.744 -4.215 3.794 112 HA SER 14 HA SER 14 -6.902 -3.554 6.648 113 HB2 SER 14 2HB SER 14 -4.324 -3.644 5.068 114 HB3 SER 14 1HB SER 14 -4.501 -3.289 6.780 115 HG SER 14 HG SER 14 -4.629 -5.733 5.437 116 H LYS 15 HN LYS 15 -6.475 -1.351 7.108 117 HA LYS 15 HA LYS 15 -6.477 0.389 4.733 118 HB2 LYS 15 2HB LYS 15 -8.617 0.342 6.015 119 HB3 LYS 15 1HB LYS 15 -7.756 0.987 7.402 120 HG2 LYS 15 2HG LYS 15 -7.361 3.045 6.318 121 HG3 LYS 15 1HG LYS 15 -7.852 2.395 4.749 122 HD2 LYS 15 2HD LYS 15 -10.142 2.112 5.598 123 HD3 LYS 15 1HD LYS 15 -9.642 2.784 7.151 124 HE2 LYS 15 2HE LYS 15 -9.467 4.245 4.522 125 HE3 LYS 15 1HE LYS 15 -10.794 4.410 5.670 126 HZ1 LYS 15 3HZ LYS 15 -9.241 5.227 7.314 127 HZ2 LYS 15 1HZ LYS 15 -9.160 6.180 5.912 128 HZ3 LYS 15 2HZ LYS 15 -7.953 5.041 6.235 129 H VAL 16 HN VAL 16 -4.614 1.363 4.519 130 HA VAL 16 HA VAL 16 -3.111 2.095 6.949 131 HB VAL 16 HB VAL 16 -1.018 1.601 5.738 132 HG11 VAL 16 1HG1 VAL 16 -2.002 -0.066 7.238 133 HG12 VAL 16 2HG1 VAL 16 -1.125 -0.818 5.906 134 HG13 VAL 16 3HG1 VAL 16 -2.887 -0.759 5.879 135 HG21 VAL 16 3HG2 VAL 16 -2.821 0.406 3.636 136 HG22 VAL 16 1HG2 VAL 16 -1.060 0.302 3.675 137 HG23 VAL 16 2HG2 VAL 16 -1.848 1.865 3.455 138 H LYS 17 HN LYS 17 -1.373 3.673 6.514 139 HA LYS 17 HA LYS 17 -2.281 5.727 4.600 140 HB2 LYS 17 2HB LYS 17 -2.650 6.431 6.885 141 HB3 LYS 17 1HB LYS 17 -1.006 6.012 7.318 142 HG2 LYS 17 2HG LYS 17 -0.251 7.770 5.685 143 HG3 LYS 17 1HG LYS 17 -1.940 8.267 5.569 144 HD2 LYS 17 2HD LYS 17 -1.981 8.668 7.988 145 HD3 LYS 17 1HD LYS 17 -0.285 8.187 8.091 146 HE2 LYS 17 2HE LYS 17 0.293 10.025 6.554 147 HE3 LYS 17 1HE LYS 17 -1.398 10.520 6.541 148 HZ1 LYS 17 3HZ LYS 17 -1.213 10.827 8.981 149 HZ2 LYS 17 1HZ LYS 17 -0.230 11.873 8.080 150 HZ3 LYS 17 2HZ LYS 17 0.454 10.533 8.861 151 H VAL 18 HN VAL 18 -0.717 6.816 3.448 152 HA VAL 18 HA VAL 18 1.787 5.408 3.099 153 HB VAL 18 HB VAL 18 0.832 7.926 1.719 154 HG11 VAL 18 1HG1 VAL 18 3.234 7.629 1.546 155 HG12 VAL 18 2HG1 VAL 18 2.474 7.290 -0.010 156 HG13 VAL 18 3HG1 VAL 18 3.014 5.961 1.016 157 HG21 VAL 18 3HG2 VAL 18 -0.721 6.079 1.359 158 HG22 VAL 18 1HG2 VAL 18 0.614 5.051 0.838 159 HG23 VAL 18 2HG2 VAL 18 0.164 6.463 -0.117 160 H ILE 19 HN ILE 19 3.042 5.765 4.865 161 HA ILE 19 HA ILE 19 3.538 8.221 6.117 162 HB ILE 19 HB ILE 19 5.499 5.945 5.810 163 HG12 ILE 19 2HG1 ILE 19 3.380 6.404 7.920 164 HG13 ILE 19 1HG1 ILE 19 3.378 5.128 6.711 165 HG21 ILE 19 1HG2 ILE 19 5.289 8.117 7.893 166 HG22 ILE 19 2HG2 ILE 19 6.507 8.010 6.620 167 HG23 ILE 19 3HG2 ILE 19 6.456 6.794 7.897 168 HD11 ILE 19 3HD1 ILE 19 5.390 5.456 8.925 169 HD12 ILE 19 1HD1 ILE 19 5.392 4.180 7.707 170 HD13 ILE 19 2HD1 ILE 19 4.073 4.284 8.874 171 H GLY 20 HN GLY 20 5.286 6.545 3.527 172 HA2 GLY 20 2HA GLY 20 5.880 8.944 2.153 173 HA3 GLY 20 1HA GLY 20 7.287 8.415 3.058 174 H ILE 21 HN ILE 21 7.231 8.651 0.328 175 HA ILE 21 HA ILE 21 7.097 5.918 -0.719 176 HB ILE 21 HB ILE 21 7.584 8.535 -2.162 177 HG12 ILE 21 2HG1 ILE 21 5.073 6.854 -1.972 178 HG13 ILE 21 1HG1 ILE 21 5.330 8.409 -1.187 179 HG21 ILE 21 1HG2 ILE 21 6.998 5.782 -3.255 180 HG22 ILE 21 2HG2 ILE 21 8.535 6.639 -3.367 181 HG23 ILE 21 3HG2 ILE 21 7.116 7.258 -4.213 182 HD11 ILE 21 3HD1 ILE 21 3.965 8.648 -3.173 183 HD12 ILE 21 1HD1 ILE 21 5.234 7.917 -4.154 184 HD13 ILE 21 2HD1 ILE 21 5.508 9.477 -3.379 185 H VAL 22 HN VAL 22 8.977 5.081 -1.897 186 HA VAL 22 HA VAL 22 11.502 6.108 -0.812 187 HB VAL 22 HB VAL 22 10.979 3.438 -2.131 188 HG11 VAL 22 1HG1 VAL 22 13.291 4.130 -2.359 189 HG12 VAL 22 2HG1 VAL 22 13.173 2.828 -1.175 190 HG13 VAL 22 3HG1 VAL 22 13.378 4.495 -0.634 191 HG21 VAL 22 3HG2 VAL 22 11.153 2.509 0.141 192 HG22 VAL 22 1HG2 VAL 22 9.774 3.597 -0.030 193 HG23 VAL 22 2HG2 VAL 22 11.236 4.146 0.790 194 HA PRO 23 HA PRO 23 11.600 7.746 -5.093 195 HB2 PRO 23 2HB PRO 23 13.640 9.512 -3.914 196 HB3 PRO 23 1HB PRO 23 12.157 9.928 -4.778 197 HG2 PRO 23 2HG PRO 23 12.383 10.308 -2.138 198 HG3 PRO 23 1HG PRO 23 10.852 9.796 -2.876 199 HD2 PRO 23 2HD PRO 23 12.901 8.150 -1.431 200 HD3 PRO 23 1HD PRO 23 11.128 8.108 -1.303 201 H GLU 24 HN GLU 24 13.507 8.222 -6.537 202 HA GLU 24 HA GLU 24 15.229 7.444 -7.716 203 HB2 GLU 24 2HB GLU 24 16.252 7.183 -4.928 204 HB3 GLU 24 1HB GLU 24 17.178 6.538 -6.264 205 HG2 GLU 24 2HG GLU 24 17.897 8.780 -5.655 206 HG3 GLU 24 1HG GLU 24 17.293 8.705 -7.307 207 H SER 25 HN SER 25 13.165 5.493 -6.213 208 HA SER 25 HA SER 25 14.352 3.006 -7.096 209 HB2 SER 25 2HB SER 25 11.977 3.850 -5.524 210 HB3 SER 25 1HB SER 25 11.834 2.358 -6.440 211 HG SER 25 HG SER 25 12.643 1.790 -4.463 212 H LYS 26 HN LYS 26 13.262 1.703 -8.729 213 HA LYS 26 HA LYS 26 12.738 3.306 -11.019 214 HB2 LYS 26 2HB LYS 26 13.894 1.096 -11.069 215 HB3 LYS 26 1HB LYS 26 12.356 0.325 -10.706 216 HG2 LYS 26 2HG LYS 26 12.852 0.189 -13.074 217 HG3 LYS 26 1HG LYS 26 11.428 1.190 -12.798 218 HD2 LYS 26 2HD LYS 26 12.888 2.190 -14.477 219 HD3 LYS 26 1HD LYS 26 12.795 3.207 -13.037 220 HE2 LYS 26 2HE LYS 26 14.934 2.335 -12.268 221 HE3 LYS 26 1HE LYS 26 15.019 1.272 -13.671 222 HZ1 LYS 26 3HZ LYS 26 16.358 3.252 -13.983 223 HZ2 LYS 26 1HZ LYS 26 15.001 4.243 -13.753 224 HZ3 LYS 26 2HZ LYS 26 15.083 3.221 -15.103 225 H VAL 27 HN VAL 27 10.700 1.217 -8.990 226 HA VAL 27 HA VAL 27 8.366 1.726 -10.605 227 HB VAL 27 HB VAL 27 7.116 0.447 -8.968 228 HG11 VAL 27 1HG1 VAL 27 8.391 -0.784 -10.634 229 HG12 VAL 27 2HG1 VAL 27 8.321 -1.676 -9.115 230 HG13 VAL 27 3HG1 VAL 27 9.791 -0.811 -9.562 231 HG21 VAL 27 3HG2 VAL 27 8.138 1.285 -6.927 232 HG22 VAL 27 1HG2 VAL 27 9.643 0.454 -7.320 233 HG23 VAL 27 2HG2 VAL 27 8.188 -0.477 -6.968 234 H ARG 28 HN ARG 28 10.009 3.494 -8.359 235 HA ARG 28 HA ARG 28 8.069 4.702 -6.784 236 HB2 ARG 28 2HB ARG 28 10.211 5.174 -6.107 237 HB3 ARG 28 1HB ARG 28 10.792 5.431 -7.741 238 HG2 ARG 28 2HG ARG 28 8.905 7.412 -6.568 239 HG3 ARG 28 1HG ARG 28 10.587 7.407 -6.035 240 HD2 ARG 28 2HD ARG 28 9.537 7.786 -8.834 241 HD3 ARG 28 1HD ARG 28 10.407 8.955 -7.843 242 HE ARG 28 HE ARG 28 11.791 6.476 -8.559 243 HH11 ARG 28 1HH1 ARG 28 11.327 9.904 -9.105 244 HH12 ARG 28 2HH1 ARG 28 12.850 10.107 -9.923 245 HH21 ARG 28 1HH2 ARG 28 13.806 6.743 -9.660 246 HH22 ARG 28 2HH2 ARG 28 14.260 8.329 -10.209 247 H ARG 29 HN ARG 29 9.028 5.403 -10.108 248 HA ARG 29 HA ARG 29 7.558 7.821 -10.352 249 HB2 ARG 29 2HB ARG 29 9.354 7.164 -11.923 250 HB3 ARG 29 1HB ARG 29 8.332 5.864 -12.525 251 HG2 ARG 29 2HG ARG 29 6.668 7.544 -13.238 252 HG3 ARG 29 1HG ARG 29 7.771 8.817 -12.714 253 HD2 ARG 29 2HD ARG 29 9.445 8.001 -14.308 254 HD3 ARG 29 1HD ARG 29 8.317 6.755 -14.841 255 HE ARG 29 HE ARG 29 6.983 9.151 -15.137 256 HH11 ARG 29 1HH1 ARG 29 9.881 7.662 -16.425 257 HH12 ARG 29 2HH1 ARG 29 9.843 8.576 -17.905 258 HH21 ARG 29 1HH2 ARG 29 6.918 10.336 -17.085 259 HH22 ARG 29 2HH2 ARG 29 8.149 10.067 -18.295 260 H LYS 30 HN LYS 30 6.821 4.445 -10.925 261 HA LYS 30 HA LYS 30 4.282 4.742 -12.099 262 HB2 LYS 30 2HB LYS 30 5.673 2.663 -12.076 263 HB3 LYS 30 1HB LYS 30 5.300 2.475 -10.372 264 HG2 LYS 30 2HG LYS 30 2.923 2.265 -10.926 265 HG3 LYS 30 1HG LYS 30 3.324 2.418 -12.639 266 HD2 LYS 30 2HD LYS 30 4.720 0.410 -12.485 267 HD3 LYS 30 1HD LYS 30 4.305 0.254 -10.777 268 HE2 LYS 30 2HE LYS 30 1.916 0.072 -11.443 269 HE3 LYS 30 1HE LYS 30 2.430 0.061 -13.130 270 HZ1 LYS 30 3HZ LYS 30 3.230 -1.925 -11.068 271 HZ2 LYS 30 1HZ LYS 30 3.703 -1.940 -12.696 272 HZ3 LYS 30 2HZ LYS 30 2.077 -2.176 -12.292 273 H ILE 31 HN ILE 31 5.298 4.240 -8.749 274 HA ILE 31 HA ILE 31 2.801 4.167 -7.504 275 HB ILE 31 HB ILE 31 5.380 5.308 -6.400 276 HG12 ILE 31 2HG1 ILE 31 4.295 2.500 -6.115 277 HG13 ILE 31 1HG1 ILE 31 5.497 2.962 -7.317 278 HG21 ILE 31 1HG2 ILE 31 4.447 4.745 -4.204 279 HG22 ILE 31 2HG2 ILE 31 2.941 4.248 -4.976 280 HG23 ILE 31 3HG2 ILE 31 3.457 5.934 -5.053 281 HD11 ILE 31 3HD1 ILE 31 7.025 3.622 -5.532 282 HD12 ILE 31 1HD1 ILE 31 6.539 1.933 -5.386 283 HD13 ILE 31 2HD1 ILE 31 5.822 3.150 -4.331 284 H MET 32 HN MET 32 4.908 6.978 -8.125 285 HA MET 32 HA MET 32 3.184 8.872 -6.921 286 HB2 MET 32 2HB MET 32 5.370 9.188 -8.976 287 HB3 MET 32 1HB MET 32 4.507 10.549 -8.274 288 HG2 MET 32 2HG MET 32 5.291 9.910 -6.056 289 HG3 MET 32 1HG MET 32 6.145 8.534 -6.752 290 HE1 MET 32 3HE MET 32 8.995 11.051 -5.683 291 HE2 MET 32 1HE MET 32 8.332 9.433 -5.455 292 HE3 MET 32 2HE MET 32 7.443 10.841 -4.872 293 H ASP 33 HN ASP 33 3.461 7.614 -10.187 294 HA ASP 33 HA ASP 33 1.705 9.483 -11.405 295 HB2 ASP 33 2HB ASP 33 3.397 8.011 -12.585 296 HB3 ASP 33 1HB ASP 33 2.270 6.676 -12.362 297 H MET 34 HN MET 34 1.265 6.430 -9.759 298 HA MET 34 HA MET 34 -1.375 5.854 -10.449 299 HB2 MET 34 2HB MET 34 0.195 5.343 -7.932 300 HB3 MET 34 1HB MET 34 -1.452 4.776 -8.128 301 HG2 MET 34 2HG MET 34 -0.759 3.495 -10.101 302 HG3 MET 34 1HG MET 34 0.900 4.037 -9.846 303 HE1 MET 34 3HE MET 34 1.662 1.496 -9.892 304 HE2 MET 34 1HE MET 34 -0.009 0.966 -10.085 305 HE3 MET 34 2HE MET 34 0.998 0.255 -8.826 306 H GLY 35 HN GLY 35 -0.052 8.187 -8.213 307 HA2 GLY 35 2HA GLY 35 -1.579 10.156 -7.915 308 HA3 GLY 35 1HA GLY 35 -2.809 8.974 -7.491 309 H ILE 36 HN ILE 36 0.027 7.822 -6.308 310 HA ILE 36 HA ILE 36 -0.651 8.631 -3.619 311 HB ILE 36 HB ILE 36 1.605 6.865 -4.560 312 HG12 ILE 36 2HG1 ILE 36 -1.107 6.103 -3.465 313 HG13 ILE 36 1HG1 ILE 36 -0.653 6.021 -5.162 314 HG21 ILE 36 1HG2 ILE 36 1.652 6.062 -2.245 315 HG22 ILE 36 2HG2 ILE 36 0.409 7.238 -1.820 316 HG23 ILE 36 3HG2 ILE 36 2.001 7.788 -2.345 317 HD11 ILE 36 3HD1 ILE 36 0.588 4.443 -2.920 318 HD12 ILE 36 1HD1 ILE 36 1.053 4.359 -4.619 319 HD13 ILE 36 2HD1 ILE 36 -0.555 3.835 -4.118 320 H VAL 37 HN VAL 37 0.402 10.070 -2.412 321 HA VAL 37 HA VAL 37 2.911 11.195 -3.450 322 HB VAL 37 HB VAL 37 2.052 13.441 -2.435 323 HG11 VAL 37 1HG1 VAL 37 1.102 14.071 -4.605 324 HG12 VAL 37 2HG1 VAL 37 0.979 12.367 -5.041 325 HG13 VAL 37 3HG1 VAL 37 2.563 13.102 -4.791 326 HG21 VAL 37 3HG2 VAL 37 -0.563 12.046 -3.022 327 HG22 VAL 37 1HG2 VAL 37 -0.373 13.768 -2.691 328 HG23 VAL 37 2HG2 VAL 37 -0.002 12.584 -1.438 329 H ARG 38 HN ARG 38 0.945 11.946 -0.585 330 HA ARG 38 HA ARG 38 2.523 10.416 1.206 331 HB2 ARG 38 2HB ARG 38 4.035 12.422 0.652 332 HB3 ARG 38 1HB ARG 38 2.860 13.399 1.522 333 HG2 ARG 38 2HG ARG 38 3.222 11.966 3.514 334 HG3 ARG 38 1HG ARG 38 4.497 11.127 2.629 335 HD2 ARG 38 2HD ARG 38 5.614 12.728 3.921 336 HD3 ARG 38 1HD ARG 38 5.547 13.423 2.304 337 HE ARG 38 HE ARG 38 3.386 14.213 4.051 338 HH11 ARG 38 1HH1 ARG 38 6.553 14.980 2.797 339 HH12 ARG 38 2HH1 ARG 38 6.500 16.639 3.323 340 HH21 ARG 38 1HH2 ARG 38 3.308 16.379 4.761 341 HH22 ARG 38 2HH2 ARG 38 4.656 17.434 4.451 342 H GLY 39 HN GLY 39 1.464 10.183 3.133 343 HA2 GLY 39 2HA GLY 39 -0.244 10.392 4.667 344 HA3 GLY 39 1HA GLY 39 -0.537 12.010 4.042 345 H THR 40 HN THR 40 -0.498 9.535 1.722 346 HA THR 40 HA THR 40 -3.297 9.888 1.165 347 HB THR 40 HB THR 40 -1.466 7.913 -0.182 348 HG1 THR 40 1HG THR 40 -1.674 10.732 -0.578 349 HG21 THR 40 3HG2 THR 40 -3.806 9.549 -1.170 350 HG22 THR 40 1HG2 THR 40 -3.839 7.827 -0.790 351 HG23 THR 40 2HG2 THR 40 -2.864 8.414 -2.139 352 H GLU 41 HN GLU 41 -4.850 8.191 1.159 353 HA GLU 41 HA GLU 41 -4.349 6.127 3.153 354 HB2 GLU 41 2HB GLU 41 -6.873 7.153 1.851 355 HB3 GLU 41 1HB GLU 41 -6.830 5.829 2.997 356 HG2 GLU 41 2HG GLU 41 -6.047 7.273 4.737 357 HG3 GLU 41 1HG GLU 41 -5.874 8.611 3.597 358 H ILE 42 HN ILE 42 -4.244 4.040 2.699 359 HA ILE 42 HA ILE 42 -4.913 3.181 -0.035 360 HB ILE 42 HB ILE 42 -2.590 2.332 1.688 361 HG12 ILE 42 2HG1 ILE 42 -2.729 3.563 -1.071 362 HG13 ILE 42 1HG1 ILE 42 -2.212 4.375 0.402 363 HG21 ILE 42 1HG2 ILE 42 -3.536 1.109 -0.905 364 HG22 ILE 42 2HG2 ILE 42 -3.564 0.346 0.685 365 HG23 ILE 42 3HG2 ILE 42 -2.024 0.724 -0.085 366 HD11 ILE 42 3HD1 ILE 42 -0.821 2.042 -0.895 367 HD12 ILE 42 1HD1 ILE 42 -0.297 2.882 0.562 368 HD13 ILE 42 2HD1 ILE 42 -0.318 3.731 -0.984 369 H TYR 43 HN TYR 43 -6.627 1.908 0.039 370 HA TYR 43 HA TYR 43 -7.057 0.179 2.358 371 HB2 TYR 43 2HB TYR 43 -9.051 1.322 1.683 372 HB3 TYR 43 1HB TYR 43 -8.796 0.903 -0.006 373 HD1 TYR 43 2HD TYR 43 -9.271 -0.796 3.300 374 HD2 TYR 43 1HD TYR 43 -10.045 -0.824 -0.884 375 HE1 TYR 43 2HE TYR 43 -10.663 -2.805 3.576 376 HE2 TYR 43 1HE TYR 43 -11.437 -2.831 -0.617 377 HH TYR 43 HH TYR 43 -11.654 -4.721 0.971 378 H ILE 44 HN ILE 44 -5.912 -1.649 2.261 379 HA ILE 44 HA ILE 44 -5.241 -2.930 -0.225 380 HB ILE 44 HB ILE 44 -5.031 -3.990 2.605 381 HG12 ILE 44 2HG1 ILE 44 -3.686 -1.961 2.231 382 HG13 ILE 44 1HG1 ILE 44 -2.668 -3.380 2.459 383 HG21 ILE 44 1HG2 ILE 44 -3.809 -4.989 0.034 384 HG22 ILE 44 2HG2 ILE 44 -5.054 -5.794 0.987 385 HG23 ILE 44 3HG2 ILE 44 -3.429 -5.599 1.644 386 HD11 ILE 44 3HD1 ILE 44 -1.821 -1.945 0.690 387 HD12 ILE 44 1HD1 ILE 44 -3.343 -2.106 -0.183 388 HD13 ILE 44 2HD1 ILE 44 -2.307 -3.513 0.052 389 H GLU 45 HN GLU 45 -6.876 -3.775 -1.367 390 HA GLU 45 HA GLU 45 -9.238 -4.810 -0.129 391 HB2 GLU 45 2HB GLU 45 -8.642 -3.868 -2.639 392 HB3 GLU 45 1HB GLU 45 -8.716 -5.602 -2.918 393 HG2 GLU 45 2HG GLU 45 -10.886 -3.856 -1.781 394 HG3 GLU 45 1HG GLU 45 -10.859 -4.638 -3.360 395 H GLY 46 HN GLY 46 -6.753 -6.337 -2.188 396 HA2 GLY 46 2HA GLY 46 -6.444 -8.553 -0.429 397 HA3 GLY 46 1HA GLY 46 -7.471 -8.975 -1.791 398 H LYS 47 HN LYS 47 -5.063 -10.232 -1.308 399 HA LYS 47 HA LYS 47 -3.488 -9.349 -3.626 400 HB2 LYS 47 2HB LYS 47 -2.393 -10.689 -1.143 401 HB3 LYS 47 1HB LYS 47 -1.468 -10.198 -2.551 402 HG2 LYS 47 2HG LYS 47 -1.902 -7.873 -2.081 403 HG3 LYS 47 1HG LYS 47 -2.947 -8.314 -0.729 404 HD2 LYS 47 2HD LYS 47 0.005 -8.901 -0.947 405 HD3 LYS 47 1HD LYS 47 -0.729 -7.638 0.047 406 HE2 LYS 47 2HE LYS 47 -1.988 -9.398 1.252 407 HE3 LYS 47 1HE LYS 47 -1.122 -10.617 0.323 408 HZ1 LYS 47 3HZ LYS 47 0.182 -8.625 2.105 409 HZ2 LYS 47 1HZ LYS 47 0.943 -9.900 1.283 410 HZ3 LYS 47 2HZ LYS 47 -0.153 -10.227 2.535 411 H ALA 48 HN ALA 48 -2.628 -11.056 -4.906 412 HA ALA 48 HA ALA 48 -4.146 -13.451 -4.983 413 HB1 ALA 48 1HB ALA 48 -3.087 -12.511 -6.981 414 HB2 ALA 48 2HB ALA 48 -2.546 -14.166 -6.698 415 HB3 ALA 48 3HB ALA 48 -1.494 -12.813 -6.284 416 HA PRO 49 HA PRO 49 -2.231 -16.177 -2.072 417 HB2 PRO 49 2HB PRO 49 -1.691 -18.035 -4.343 418 HB3 PRO 49 1HB PRO 49 -2.482 -18.349 -2.793 419 HG2 PRO 49 2HG PRO 49 -3.925 -18.111 -5.008 420 HG3 PRO 49 1HG PRO 49 -4.495 -17.420 -3.478 421 HD2 PRO 49 2HD PRO 49 -3.306 -16.052 -5.851 422 HD3 PRO 49 1HD PRO 49 -4.584 -15.499 -4.750 423 H MET 50 HN MET 50 -0.534 -15.800 -5.144 424 HA MET 50 HA MET 50 2.036 -16.585 -4.273 425 HB2 MET 50 2HB MET 50 1.479 -16.480 -6.626 426 HB3 MET 50 1HB MET 50 1.133 -14.762 -6.512 427 HG2 MET 50 2HG MET 50 3.246 -15.087 -7.590 428 HG3 MET 50 1HG MET 50 3.501 -14.340 -6.017 429 HE1 MET 50 3HE MET 50 6.696 -16.570 -6.500 430 HE2 MET 50 1HE MET 50 6.094 -14.943 -6.184 431 HE3 MET 50 2HE MET 50 5.816 -15.695 -7.753 432 H GLY 51 HN GLY 51 0.204 -13.732 -3.723 433 HA2 GLY 51 2HA GLY 51 0.816 -11.987 -2.250 434 HA3 GLY 51 1HA GLY 51 2.507 -12.416 -2.476 435 H ASP 52 HN ASP 52 1.280 -12.558 -5.429 436 HA ASP 52 HA ASP 52 1.354 -9.713 -6.067 437 HB2 ASP 52 2HB ASP 52 3.674 -10.414 -6.343 438 HB3 ASP 52 1HB ASP 52 3.175 -11.799 -7.305 439 HA PRO 53 HA PRO 53 0.855 -8.467 -7.438 440 HB2 PRO 53 2HB PRO 53 -1.093 -7.108 -8.630 441 HB3 PRO 53 1HB PRO 53 0.115 -7.979 -9.585 442 HG2 PRO 53 2HG PRO 53 -2.706 -8.722 -8.961 443 HG3 PRO 53 1HG PRO 53 -1.788 -8.960 -10.458 444 HD2 PRO 53 2HD PRO 53 -2.220 -10.877 -8.458 445 HD3 PRO 53 1HD PRO 53 -1.016 -10.978 -9.758 446 H ILE 54 HN ILE 54 -0.269 -6.500 -6.485 447 HA ILE 54 HA ILE 54 -2.140 -7.368 -4.384 448 HB ILE 54 HB ILE 54 -0.350 -4.924 -4.448 449 HG12 ILE 54 2HG1 ILE 54 0.623 -6.185 -2.373 450 HG13 ILE 54 1HG1 ILE 54 -0.091 -7.606 -3.123 451 HG21 ILE 54 1HG2 ILE 54 -1.033 -4.603 -2.117 452 HG22 ILE 54 2HG2 ILE 54 -2.166 -5.946 -2.271 453 HG23 ILE 54 3HG2 ILE 54 -2.394 -4.482 -3.230 454 HD11 ILE 54 3HD1 ILE 54 2.250 -7.406 -3.695 455 HD12 ILE 54 1HD1 ILE 54 1.973 -5.795 -4.359 456 HD13 ILE 54 2HD1 ILE 54 1.248 -7.205 -5.132 457 H ALA 55 HN ALA 55 -4.159 -6.573 -4.363 458 HA ALA 55 HA ALA 55 -4.789 -4.363 -6.205 459 HB1 ALA 55 1HB ALA 55 -5.993 -6.429 -6.678 460 HB2 ALA 55 2HB ALA 55 -7.103 -5.174 -6.126 461 HB3 ALA 55 3HB ALA 55 -6.609 -6.461 -5.026 462 H LEU 56 HN LEU 56 -4.948 -2.451 -5.224 463 HA LEU 56 HA LEU 56 -6.169 -2.341 -2.563 464 HB2 LEU 56 2HB LEU 56 -4.508 -0.259 -2.455 465 HB3 LEU 56 1HB LEU 56 -4.088 -1.845 -1.851 466 HG LEU 56 HG LEU 56 -3.027 -2.260 -4.135 467 HD11 LEU 56 1HD1 LEU 56 -4.093 -0.448 -5.360 468 HD12 LEU 56 2HD1 LEU 56 -2.338 -0.266 -5.379 469 HD13 LEU 56 3HD1 LEU 56 -3.318 0.738 -4.310 470 HD21 LEU 56 3HD2 LEU 56 -1.744 -1.852 -2.104 471 HD22 LEU 56 1HD2 LEU 56 -1.876 -0.111 -2.361 472 HD23 LEU 56 2HD2 LEU 56 -0.976 -1.106 -3.505 473 H ARG 57 HN ARG 57 -6.757 0.009 -2.027 474 HA ARG 57 HA ARG 57 -7.709 1.429 -4.432 475 HB2 ARG 57 2HB ARG 57 -9.529 0.139 -3.252 476 HB3 ARG 57 1HB ARG 57 -9.252 1.152 -1.851 477 HG2 ARG 57 2HG ARG 57 -9.821 3.132 -3.199 478 HG3 ARG 57 1HG ARG 57 -10.194 2.063 -4.553 479 HD2 ARG 57 2HD ARG 57 -11.557 2.134 -1.864 480 HD3 ARG 57 1HD ARG 57 -12.230 2.653 -3.408 481 HE ARG 57 HE ARG 57 -11.566 0.025 -3.787 482 HH11 ARG 57 1HH1 ARG 57 -13.600 1.785 -1.553 483 HH12 ARG 57 2HH1 ARG 57 -14.699 0.466 -1.311 484 HH21 ARG 57 1HH2 ARG 57 -12.996 -1.728 -3.458 485 HH22 ARG 57 2HH2 ARG 57 -14.355 -1.534 -2.386 486 H LEU 58 HN LEU 58 -6.831 3.395 -4.506 487 HA LEU 58 HA LEU 58 -6.436 4.858 -2.010 488 HB2 LEU 58 2HB LEU 58 -4.207 5.583 -2.611 489 HB3 LEU 58 1HB LEU 58 -4.276 3.848 -2.468 490 HG LEU 58 HG LEU 58 -2.822 4.317 -4.262 491 HD11 LEU 58 1HD1 LEU 58 -3.880 3.360 -6.232 492 HD12 LEU 58 2HD1 LEU 58 -5.465 3.586 -5.490 493 HD13 LEU 58 3HD1 LEU 58 -4.302 2.479 -4.762 494 HD21 LEU 58 3HD2 LEU 58 -4.914 6.129 -5.444 495 HD22 LEU 58 1HD2 LEU 58 -3.351 5.739 -6.161 496 HD23 LEU 58 2HD2 LEU 58 -3.427 6.638 -4.646 497 H ARG 59 HN ARG 59 -6.473 7.094 -2.178 498 HA ARG 59 HA ARG 59 -7.025 9.143 -2.984 499 HB2 ARG 59 2HB ARG 59 -5.314 8.831 -4.657 500 HB3 ARG 59 1HB ARG 59 -6.398 7.877 -5.654 501 HG2 ARG 59 2HG ARG 59 -6.113 10.109 -6.556 502 HG3 ARG 59 1HG ARG 59 -7.780 9.847 -6.052 503 HD2 ARG 59 2HD ARG 59 -7.380 11.096 -4.004 504 HD3 ARG 59 1HD ARG 59 -5.686 11.307 -4.442 505 HE ARG 59 HE ARG 59 -6.376 12.746 -6.231 506 HH11 ARG 59 1HH1 ARG 59 -8.910 11.889 -3.973 507 HH12 ARG 59 2HH1 ARG 59 -9.932 13.221 -4.419 508 HH21 ARG 59 1HH2 ARG 59 -7.701 14.530 -6.787 509 HH22 ARG 59 2HH2 ARG 59 -9.242 14.723 -6.002 510 H GLY 60 HN GLY 60 -8.699 6.355 -4.048 511 HA2 GLY 60 2HA GLY 60 -11.213 6.884 -3.552 512 HA3 GLY 60 1HA GLY 60 -11.008 7.905 -4.970 513 H TYR 61 HN TYR 61 -9.035 5.886 -6.020 514 HA TYR 61 HA TYR 61 -11.035 3.992 -7.053 515 HB2 TYR 61 2HB TYR 61 -9.384 3.930 -9.065 516 HB3 TYR 61 1HB TYR 61 -10.508 5.272 -8.908 517 HD1 TYR 61 2HD TYR 61 -7.002 4.273 -8.140 518 HD2 TYR 61 1HD TYR 61 -9.699 7.473 -8.890 519 HE1 TYR 61 2HE TYR 61 -5.112 5.843 -8.186 520 HE2 TYR 61 1HE TYR 61 -7.817 9.056 -8.935 521 HH TYR 61 HH TYR 61 -4.497 7.977 -8.920 522 H SER 62 HN SER 62 -10.305 1.908 -7.646 523 HA SER 62 HA SER 62 -8.101 0.964 -5.991 524 HB2 SER 62 2HB SER 62 -10.214 -0.257 -5.852 525 HB3 SER 62 1HB SER 62 -10.163 -0.579 -7.582 526 HG SER 62 HG SER 62 -8.077 -1.380 -5.848 527 H LEU 63 HN LEU 63 -6.390 -0.190 -6.770 528 HA LEU 63 HA LEU 63 -5.987 -0.432 -9.647 529 HB2 LEU 63 2HB LEU 63 -4.150 1.107 -7.809 530 HB3 LEU 63 1HB LEU 63 -3.676 0.539 -9.397 531 HG LEU 63 HG LEU 63 -5.916 2.500 -8.877 532 HD11 LEU 63 1HD1 LEU 63 -4.389 4.182 -9.775 533 HD12 LEU 63 2HD1 LEU 63 -3.109 2.975 -9.881 534 HD13 LEU 63 3HD1 LEU 63 -3.740 3.454 -8.306 535 HD21 LEU 63 3HD2 LEU 63 -4.594 1.590 -11.433 536 HD22 LEU 63 1HD2 LEU 63 -5.798 2.873 -11.301 537 HD23 LEU 63 2HD2 LEU 63 -6.237 1.209 -10.913 538 H SER 64 HN SER 64 -4.133 -1.834 -10.139 539 HA SER 64 HA SER 64 -3.418 -3.558 -7.861 540 HB2 SER 64 2HB SER 64 -4.891 -4.718 -9.460 541 HB3 SER 64 1HB SER 64 -3.754 -4.377 -10.761 542 HG SER 64 HG SER 64 -2.798 -5.680 -8.477 543 H LEU 65 HN LEU 65 -1.318 -3.747 -7.440 544 HA LEU 65 HA LEU 65 0.575 -2.863 -9.505 545 HB2 LEU 65 2HB LEU 65 1.970 -1.958 -7.577 546 HB3 LEU 65 1HB LEU 65 0.573 -1.033 -8.081 547 HG LEU 65 HG LEU 65 -0.671 -2.109 -6.131 548 HD11 LEU 65 1HD1 LEU 65 0.710 -2.907 -4.279 549 HD12 LEU 65 2HD1 LEU 65 2.143 -2.808 -5.303 550 HD13 LEU 65 3HD1 LEU 65 0.856 -3.951 -5.693 551 HD21 LEU 65 3HD2 LEU 65 1.673 -0.291 -5.604 552 HD22 LEU 65 1HD2 LEU 65 0.303 -0.529 -4.519 553 HD23 LEU 65 2HD2 LEU 65 0.054 0.195 -6.107 554 H ARG 66 HN ARG 66 2.855 -3.528 -8.997 555 HA ARG 66 HA ARG 66 2.873 -6.368 -8.602 556 HB2 ARG 66 2HB ARG 66 4.481 -4.380 -9.878 557 HB3 ARG 66 1HB ARG 66 5.498 -5.298 -8.781 558 HG2 ARG 66 2HG ARG 66 5.498 -6.211 -11.039 559 HG3 ARG 66 1HG ARG 66 4.862 -7.348 -9.854 560 HD2 ARG 66 2HD ARG 66 2.731 -5.758 -10.912 561 HD3 ARG 66 1HD ARG 66 3.651 -6.482 -12.233 562 HE ARG 66 HE ARG 66 3.127 -8.417 -10.234 563 HH11 ARG 66 1HH1 ARG 66 1.478 -6.584 -12.738 564 HH12 ARG 66 2HH1 ARG 66 0.312 -7.841 -13.046 565 HH21 ARG 66 1HH2 ARG 66 1.608 -10.051 -10.646 566 HH22 ARG 66 2HH2 ARG 66 0.380 -9.800 -11.864 567 H LYS 67 HN LYS 67 4.408 -7.432 -7.205 568 HA LYS 67 HA LYS 67 4.425 -6.612 -4.526 569 HB2 LYS 67 2HB LYS 67 4.732 -8.942 -5.317 570 HB3 LYS 67 1HB LYS 67 6.319 -8.507 -5.934 571 HG2 LYS 67 2HG LYS 67 7.074 -8.023 -3.664 572 HG3 LYS 67 1HG LYS 67 5.476 -8.450 -3.044 573 HD2 LYS 67 2HD LYS 67 5.733 -10.716 -3.889 574 HD3 LYS 67 1HD LYS 67 7.297 -10.296 -4.585 575 HE2 LYS 67 2HE LYS 67 8.149 -9.817 -2.329 576 HE3 LYS 67 1HE LYS 67 6.591 -10.299 -1.654 577 HZ1 LYS 67 3HZ LYS 67 8.365 -12.056 -3.263 578 HZ2 LYS 67 1HZ LYS 67 6.907 -12.510 -2.526 579 HZ3 LYS 67 2HZ LYS 67 8.240 -12.089 -1.570 580 H SER 68 HN SER 68 6.457 -5.792 -7.187 581 HA SER 68 HA SER 68 8.720 -4.856 -5.789 582 HB2 SER 68 2HB SER 68 7.615 -3.975 -8.465 583 HB3 SER 68 1HB SER 68 9.239 -3.640 -7.864 584 HG SER 68 HG SER 68 8.619 -6.298 -7.721 585 H GLU 69 HN GLU 69 5.892 -3.067 -7.095 586 HA GLU 69 HA GLU 69 6.507 -0.590 -5.968 587 HB2 GLU 69 2HB GLU 69 3.806 -1.827 -6.522 588 HB3 GLU 69 1HB GLU 69 4.031 -0.153 -6.045 589 HG2 GLU 69 2HG GLU 69 3.880 0.059 -8.307 590 HG3 GLU 69 1HG GLU 69 5.625 -0.084 -8.109 591 H ALA 70 HN ALA 70 4.787 -3.352 -4.626 592 HA ALA 70 HA ALA 70 4.000 -2.202 -2.191 593 HB1 ALA 70 1HB ALA 70 4.665 -5.089 -2.758 594 HB2 ALA 70 2HB ALA 70 3.106 -4.315 -3.045 595 HB3 ALA 70 3HB ALA 70 3.716 -4.481 -1.399 596 H LYS 71 HN LYS 71 7.083 -3.238 -3.295 597 HA LYS 71 HA LYS 71 8.229 -3.530 -0.659 598 HB2 LYS 71 2HB LYS 71 8.969 -4.879 -2.622 599 HB3 LYS 71 1HB LYS 71 9.583 -3.414 -3.364 600 HG2 LYS 71 2HG LYS 71 10.572 -4.227 -0.667 601 HG3 LYS 71 1HG LYS 71 11.192 -5.025 -2.112 602 HD2 LYS 71 2HD LYS 71 11.236 -2.050 -1.605 603 HD3 LYS 71 1HD LYS 71 12.607 -3.140 -1.395 604 HE2 LYS 71 2HE LYS 71 12.552 -3.694 -3.763 605 HE3 LYS 71 1HE LYS 71 11.139 -2.664 -3.987 606 HZ1 LYS 71 3HZ LYS 71 13.800 -1.707 -3.071 607 HZ2 LYS 71 1HZ LYS 71 12.444 -0.745 -3.415 608 HZ3 LYS 71 2HZ LYS 71 13.225 -1.589 -4.660 609 H ASP 72 HN ASP 72 7.952 -1.049 -3.116 610 HA ASP 72 HA ASP 72 9.904 0.626 -1.733 611 HB2 ASP 72 2HB ASP 72 8.635 0.736 -4.448 612 HB3 ASP 72 1HB ASP 72 9.448 2.142 -3.776 613 H ILE 73 HN ILE 73 6.816 0.057 -1.212 614 HA ILE 73 HA ILE 73 6.232 2.872 -0.585 615 HB ILE 73 HB ILE 73 4.292 0.570 -0.882 616 HG12 ILE 73 2HG1 ILE 73 4.652 3.066 -2.554 617 HG13 ILE 73 1HG1 ILE 73 5.197 1.456 -3.011 618 HG21 ILE 73 1HG2 ILE 73 3.562 2.093 0.863 619 HG22 ILE 73 2HG2 ILE 73 2.539 2.266 -0.564 620 HG23 ILE 73 3HG2 ILE 73 3.782 3.469 -0.219 621 HD11 ILE 73 3HD1 ILE 73 2.889 0.674 -3.028 622 HD12 ILE 73 1HD1 ILE 73 3.119 2.039 -4.123 623 HD13 ILE 73 2HD1 ILE 73 2.341 2.283 -2.559 624 H LEU 74 HN LEU 74 6.459 3.407 1.479 625 HA LEU 74 HA LEU 74 6.317 1.296 3.516 626 HB2 LEU 74 2HB LEU 74 7.580 4.039 3.609 627 HB3 LEU 74 1HB LEU 74 7.525 2.920 4.954 628 HG LEU 74 HG LEU 74 8.961 2.452 2.341 629 HD11 LEU 74 1HD1 LEU 74 10.036 4.141 3.744 630 HD12 LEU 74 2HD1 LEU 74 10.993 2.664 3.655 631 HD13 LEU 74 3HD1 LEU 74 10.041 3.012 5.098 632 HD21 LEU 74 3HD2 LEU 74 9.872 0.467 3.439 633 HD22 LEU 74 1HD2 LEU 74 8.116 0.375 3.302 634 HD23 LEU 74 2HD2 LEU 74 8.861 0.778 4.849 635 H VAL 75 HN VAL 75 4.609 1.251 4.803 636 HA VAL 75 HA VAL 75 2.977 3.683 5.095 637 HB VAL 75 HB VAL 75 0.922 2.286 4.878 638 HG11 VAL 75 1HG1 VAL 75 0.947 2.150 2.439 639 HG12 VAL 75 2HG1 VAL 75 2.703 2.306 2.446 640 HG13 VAL 75 3HG1 VAL 75 1.700 3.642 3.006 641 HG21 VAL 75 3HG2 VAL 75 1.854 0.102 5.354 642 HG22 VAL 75 1HG2 VAL 75 2.861 0.188 3.908 643 HG23 VAL 75 2HG2 VAL 75 1.106 0.096 3.757 644 H GLU 76 HN GLU 76 1.195 3.281 6.745 645 HA GLU 76 HA GLU 76 1.896 1.363 8.827 646 HB2 GLU 76 2HB GLU 76 3.023 3.440 9.500 647 HB3 GLU 76 1HB GLU 76 1.515 4.327 9.338 648 HG2 GLU 76 2HG GLU 76 0.562 3.235 11.203 649 HG3 GLU 76 1HG GLU 76 1.849 2.033 11.243 650 H VAL 77 HN VAL 77 0.091 0.721 10.068 651 HA VAL 77 HA VAL 77 -2.365 0.916 8.635 652 HB VAL 77 HB VAL 77 -1.642 -1.136 9.834 653 HG11 VAL 77 1HG1 VAL 77 -2.008 -1.313 12.254 654 HG12 VAL 77 2HG1 VAL 77 -2.338 0.417 12.320 655 HG13 VAL 77 3HG1 VAL 77 -0.738 -0.158 11.853 656 HG21 VAL 77 3HG2 VAL 77 -3.956 -0.865 9.165 657 HG22 VAL 77 1HG2 VAL 77 -4.314 -0.032 10.676 658 HG23 VAL 77 2HG2 VAL 77 -3.853 -1.734 10.696 659 H LEU 78 HN LEU 78 -4.242 1.970 9.163 660 HA LEU 78 HA LEU 78 -3.909 4.301 10.853 661 HB2 LEU 78 2HB LEU 78 -6.062 3.387 8.966 662 HB3 LEU 78 1HB LEU 78 -6.246 4.806 9.978 663 HG LEU 78 HG LEU 78 -4.079 4.413 7.915 664 HD11 LEU 78 1HD1 LEU 78 -6.569 6.106 7.839 665 HD12 LEU 78 2HD1 LEU 78 -6.242 4.675 6.860 666 HD13 LEU 78 3HD1 LEU 78 -5.273 6.132 6.644 667 HD21 LEU 78 3HD2 LEU 78 -3.604 6.784 8.305 668 HD22 LEU 78 1HD2 LEU 78 -3.359 5.821 9.761 669 HD23 LEU 78 2HD2 LEU 78 -4.808 6.810 9.593 670 H LEU 79 HN LEU 79 -4.794 1.241 11.440 671 HA LEU 79 HA LEU 79 -7.035 1.556 13.130 672 HB2 LEU 79 2HB LEU 79 -6.074 -0.550 11.955 673 HB3 LEU 79 1HB LEU 79 -5.035 -0.667 13.356 674 HG LEU 79 HG LEU 79 -8.052 -0.684 13.468 675 HD11 LEU 79 1HD1 LEU 79 -7.200 -2.631 12.277 676 HD12 LEU 79 2HD1 LEU 79 -7.836 -3.083 13.859 677 HD13 LEU 79 3HD1 LEU 79 -6.094 -2.972 13.609 678 HD21 LEU 79 3HD2 LEU 79 -5.995 -1.391 15.563 679 HD22 LEU 79 1HD2 LEU 79 -7.746 -1.486 15.746 680 HD23 LEU 79 2HD2 LEU 79 -6.964 0.081 15.539 681 H GLU 80 HN GLU 80 -6.552 3.237 14.514 682 HA GLU 80 HA GLU 80 -5.994 4.149 16.506 683 HB2 GLU 80 2HB GLU 80 -6.445 1.937 17.463 684 HB3 GLU 80 1HB GLU 80 -4.796 1.441 17.112 685 HG2 GLU 80 2HG GLU 80 -3.905 2.896 18.727 686 HG3 GLU 80 1HG GLU 80 -5.428 3.769 18.894 687 H HIS 81 HN HIS 81 -4.522 5.673 16.678 688 HA HIS 81 HA HIS 81 -1.975 5.369 15.333 689 HB2 HIS 81 2HB HIS 81 -3.320 7.721 16.667 690 HB3 HIS 81 1HB HIS 81 -1.707 7.808 15.965 691 HD1 HIS 81 1HD HIS 81 -5.252 8.084 15.128 692 HD2 HIS 81 2HD HIS 81 -1.705 7.361 13.077 693 HE1 HIS 81 1HE HIS 81 -5.776 8.484 12.701 694 HE2 HIS 81 2HE HIS 81 -3.553 8.304 11.527 695 H HIS 82 HN HIS 82 -2.334 3.789 17.668 696 HA HIS 82 HA HIS 82 -0.048 4.774 19.204 697 HB2 HIS 82 2HB HIS 82 -2.151 5.223 20.490 698 HB3 HIS 82 1HB HIS 82 -2.482 3.495 20.469 699 HD1 HIS 82 1HD HIS 82 0.276 5.834 21.653 700 HD2 HIS 82 2HD HIS 82 -1.479 2.188 22.621 701 HE1 HIS 82 1HE HIS 82 1.358 5.109 23.806 702 HE2 HIS 82 2HE HIS 82 0.140 3.005 24.470 703 H HIS 83 HN HIS 83 1.509 3.288 19.207 704 HA HIS 83 HA HIS 83 0.860 0.653 18.163 705 HB2 HIS 83 2HB HIS 83 3.355 2.248 18.444 706 HB3 HIS 83 1HB HIS 83 3.495 0.495 18.379 707 HD1 HIS 83 1HD HIS 83 3.660 -0.456 16.123 708 HD2 HIS 83 2HD HIS 83 1.852 3.279 16.085 709 HE1 HIS 83 1HE HIS 83 3.299 0.095 13.699 710 HE2 HIS 83 2HE HIS 83 2.533 2.491 13.716 711 H HIS 84 HN HIS 84 0.077 -0.662 19.636 712 HA HIS 84 HA HIS 84 1.309 -0.909 22.255 713 HB2 HIS 84 2HB HIS 84 -1.149 -1.052 22.010 714 HB3 HIS 84 1HB HIS 84 -0.965 -2.458 20.971 715 HD1 HIS 84 1HD HIS 84 -0.488 -1.391 24.572 716 HD2 HIS 84 2HD HIS 84 -0.803 -4.850 22.283 717 HE1 HIS 84 1HE HIS 84 -0.637 -3.285 26.219 718 HE2 HIS 84 2HE HIS 84 -0.614 -5.373 24.804 719 H HIS 85 HN HIS 85 3.397 -1.495 21.372 720 HA HIS 85 HA HIS 85 3.643 -3.859 19.756 721 HB2 HIS 85 2HB HIS 85 6.059 -3.425 19.815 722 HB3 HIS 85 1HB HIS 85 5.145 -1.994 19.363 723 HD1 HIS 85 1HD HIS 85 7.702 -3.173 21.666 724 HD2 HIS 85 2HD HIS 85 4.949 -0.054 21.555 725 HE1 HIS 85 1HE HIS 85 8.487 -1.506 23.378 726 HE2 HIS 85 2HE HIS 85 6.892 0.439 23.187 727 H HIS 86 HN HIS 86 3.221 -3.469 23.007 728 HA HIS 86 HA HIS 86 4.032 -6.238 23.398 729 HB2 HIS 86 2HB HIS 86 5.080 -3.934 24.958 730 HB3 HIS 86 1HB HIS 86 4.626 -5.372 25.867 731 HD1 HIS 86 1HD HIS 86 5.667 -7.616 24.125 732 HD2 HIS 86 2HD HIS 86 7.768 -4.081 24.764 733 HE1 HIS 86 1HE HIS 86 8.076 -8.172 23.695 734 HE2 HIS 86 2HE HIS 86 9.317 -5.995 23.956 Start of MODEL 5 1 H1 MET 1 H1 MET 1 5.763 7.741 17.220 2 H2 MET 1 H2 MET 1 6.058 7.266 18.819 3 H3 MET 1 H3 MET 1 5.156 6.263 17.793 4 HA MET 1 HA MET 1 8.033 6.929 17.550 5 HB2 MET 1 2HB MET 1 7.312 5.238 19.295 6 HB3 MET 1 1HB MET 1 6.695 4.250 17.980 7 HG2 MET 1 2HG MET 1 8.758 3.318 18.361 8 HG3 MET 1 1HG MET 1 9.096 4.430 17.037 9 HE1 MET 1 2HE MET 1 10.618 6.580 17.239 10 HE2 MET 1 3HE MET 1 11.028 7.331 18.782 11 HE3 MET 1 1HE MET 1 9.347 7.264 18.254 12 H THR 2 HN THR 2 9.012 6.404 15.632 13 HA THR 2 HA THR 2 7.264 6.111 13.370 14 HB THR 2 HB THR 2 10.288 6.113 13.384 15 HG1 THR 2 1HG THR 2 10.217 8.233 13.595 16 HG21 THR 2 3HG2 THR 2 10.042 6.949 11.095 17 HG22 THR 2 1HG2 THR 2 8.288 6.845 11.238 18 HG23 THR 2 2HG2 THR 2 9.264 5.377 11.281 19 H LYS 3 HN LYS 3 6.417 4.128 13.096 20 HA LYS 3 HA LYS 3 8.326 1.999 12.472 21 HB2 LYS 3 2HB LYS 3 7.509 1.437 14.691 22 HB3 LYS 3 1HB LYS 3 5.845 1.660 14.170 23 HG2 LYS 3 2HG LYS 3 6.057 -0.240 12.654 24 HG3 LYS 3 1HG LYS 3 7.735 -0.456 13.152 25 HD2 LYS 3 2HD LYS 3 5.365 -0.618 15.013 26 HD3 LYS 3 1HD LYS 3 6.139 -2.012 14.258 27 HE2 LYS 3 2HE LYS 3 8.276 -1.322 15.335 28 HE3 LYS 3 1HE LYS 3 7.385 -0.062 16.186 29 HZ1 LYS 3 3HZ LYS 3 6.769 -2.958 16.376 30 HZ2 LYS 3 1HZ LYS 3 6.081 -1.714 17.300 31 HZ3 LYS 3 2HZ LYS 3 7.720 -2.117 17.494 32 H GLY 4 HN GLY 4 7.994 1.372 10.449 33 HA2 GLY 4 2HA GLY 4 5.238 1.324 9.430 34 HA3 GLY 4 1HA GLY 4 6.454 2.232 8.541 35 H ILE 5 HN ILE 5 4.835 -0.173 7.851 36 HA ILE 5 HA ILE 5 7.039 -2.046 7.292 37 HB ILE 5 HB ILE 5 5.277 -3.727 6.835 38 HG12 ILE 5 2HG1 ILE 5 3.391 -1.625 7.937 39 HG13 ILE 5 1HG1 ILE 5 3.462 -2.144 6.256 40 HG21 ILE 5 1HG2 ILE 5 4.641 -4.109 9.178 41 HG22 ILE 5 2HG2 ILE 5 5.156 -2.469 9.574 42 HG23 ILE 5 3HG2 ILE 5 6.338 -3.654 9.018 43 HD11 ILE 5 3HD1 ILE 5 2.736 -3.887 8.599 44 HD12 ILE 5 1HD1 ILE 5 2.773 -4.380 6.906 45 HD13 ILE 5 2HD1 ILE 5 1.604 -3.174 7.447 46 H GLY 6 HN GLY 6 6.717 -3.225 5.147 47 HA2 GLY 6 2HA GLY 6 6.417 -1.240 3.079 48 HA3 GLY 6 1HA GLY 6 6.821 -2.935 2.848 49 H LEU 7 HN LEU 7 5.016 -1.517 1.222 50 HA LEU 7 HA LEU 7 2.329 -1.795 2.043 51 HB2 LEU 7 2HB LEU 7 3.159 -0.274 0.263 52 HB3 LEU 7 1HB LEU 7 3.432 -1.668 -0.762 53 HG LEU 7 HG LEU 7 1.005 -2.149 -0.713 54 HD11 LEU 7 1HD1 LEU 7 0.466 -1.134 1.430 55 HD12 LEU 7 2HD1 LEU 7 -0.522 -0.435 0.149 56 HD13 LEU 7 3HD1 LEU 7 0.853 0.462 0.789 57 HD21 LEU 7 3HD2 LEU 7 0.343 -0.255 -2.133 58 HD22 LEU 7 1HD2 LEU 7 1.948 -0.865 -2.541 59 HD23 LEU 7 2HD2 LEU 7 1.780 0.624 -1.610 60 H ASN 8 HN ASN 8 4.595 -4.093 0.889 61 HA ASN 8 HA ASN 8 2.519 -5.937 0.019 62 HB2 ASN 8 2HB ASN 8 4.393 -7.428 -0.604 63 HB3 ASN 8 1HB ASN 8 4.485 -5.859 -1.383 64 HD21 ASN 8 1HD2 ASN 8 6.670 -6.073 -1.781 65 HD22 ASN 8 2HD2 ASN 8 7.854 -5.956 -0.526 66 H GLU 9 HN GLU 9 3.708 -5.042 2.913 67 HA GLU 9 HA GLU 9 3.729 -7.744 4.050 68 HB2 GLU 9 2HB GLU 9 4.629 -5.116 5.241 69 HB3 GLU 9 1HB GLU 9 4.763 -6.684 6.004 70 HG2 GLU 9 2HG GLU 9 6.235 -7.401 4.155 71 HG3 GLU 9 1HG GLU 9 6.175 -5.756 3.529 72 H VAL 10 HN VAL 10 1.497 -5.589 3.350 73 HA VAL 10 HA VAL 10 0.300 -5.230 5.974 74 HB VAL 10 HB VAL 10 -0.876 -4.369 3.341 75 HG11 VAL 10 1HG1 VAL 10 -2.397 -4.266 5.219 76 HG12 VAL 10 2HG1 VAL 10 -1.949 -2.635 4.717 77 HG13 VAL 10 3HG1 VAL 10 -1.216 -3.346 6.154 78 HG21 VAL 10 3HG2 VAL 10 1.098 -2.874 5.054 79 HG22 VAL 10 1HG2 VAL 10 0.201 -2.184 3.702 80 HG23 VAL 10 2HG2 VAL 10 1.366 -3.477 3.418 81 H GLU 11 HN GLU 11 -1.923 -5.784 6.364 82 HA GLU 11 HA GLU 11 -2.671 -8.348 5.151 83 HB2 GLU 11 2HB GLU 11 -2.300 -8.138 7.642 84 HB3 GLU 11 1HB GLU 11 -3.722 -7.114 7.700 85 HG2 GLU 11 2HG GLU 11 -5.071 -8.974 6.846 86 HG3 GLU 11 1HG GLU 11 -3.634 -9.997 6.835 87 H ILE 12 HN ILE 12 -5.050 -8.720 5.013 88 HA ILE 12 HA ILE 12 -6.185 -6.644 3.389 89 HB ILE 12 HB ILE 12 -8.069 -8.201 3.058 90 HG12 ILE 12 2HG1 ILE 12 -6.537 -10.016 4.937 91 HG13 ILE 12 1HG1 ILE 12 -8.049 -9.204 5.320 92 HG21 ILE 12 1HG2 ILE 12 -5.348 -9.470 2.770 93 HG22 ILE 12 2HG2 ILE 12 -6.104 -8.357 1.630 94 HG23 ILE 12 3HG2 ILE 12 -6.806 -9.952 1.902 95 HD11 ILE 12 3HD1 ILE 12 -7.655 -11.290 3.190 96 HD12 ILE 12 1HD1 ILE 12 -9.172 -10.475 3.566 97 HD13 ILE 12 2HD1 ILE 12 -8.419 -11.530 4.760 98 H LYS 13 HN LYS 13 -8.470 -5.963 3.655 99 HA LYS 13 HA LYS 13 -10.215 -5.047 4.780 100 HB2 LYS 13 2HB LYS 13 -9.335 -7.031 6.866 101 HB3 LYS 13 1HB LYS 13 -10.708 -5.959 7.112 102 HG2 LYS 13 2HG LYS 13 -11.841 -6.919 5.207 103 HG3 LYS 13 1HG LYS 13 -10.440 -7.933 4.857 104 HD2 LYS 13 2HD LYS 13 -10.766 -9.240 6.773 105 HD3 LYS 13 1HD LYS 13 -11.841 -8.049 7.510 106 HE2 LYS 13 2HE LYS 13 -12.458 -9.658 5.033 107 HE3 LYS 13 1HE LYS 13 -13.052 -10.021 6.654 108 HZ1 LYS 13 3HZ LYS 13 -13.655 -7.611 5.025 109 HZ2 LYS 13 1HZ LYS 13 -14.092 -7.783 6.653 110 HZ3 LYS 13 2HZ LYS 13 -14.734 -8.832 5.490 111 H SER 14 HN SER 14 -7.208 -4.316 5.256 112 HA SER 14 HA SER 14 -7.652 -2.627 7.619 113 HB2 SER 14 2HB SER 14 -4.985 -3.438 6.459 114 HB3 SER 14 1HB SER 14 -5.293 -2.690 8.023 115 HG SER 14 HG SER 14 -6.425 -5.196 7.350 116 H LYS 15 HN LYS 15 -7.061 -0.482 7.552 117 HA LYS 15 HA LYS 15 -6.597 0.617 4.871 118 HB2 LYS 15 2HB LYS 15 -8.613 1.493 5.936 119 HB3 LYS 15 1HB LYS 15 -7.689 1.957 7.362 120 HG2 LYS 15 2HG LYS 15 -6.366 3.493 5.923 121 HG3 LYS 15 1HG LYS 15 -7.452 3.107 4.591 122 HD2 LYS 15 2HD LYS 15 -9.316 4.063 5.742 123 HD3 LYS 15 1HD LYS 15 -8.374 4.239 7.226 124 HE2 LYS 15 2HE LYS 15 -6.888 5.818 6.088 125 HE3 LYS 15 1HE LYS 15 -7.846 5.655 4.618 126 HZ1 LYS 15 3HZ LYS 15 -9.636 6.764 5.577 127 HZ2 LYS 15 1HZ LYS 15 -8.288 7.642 6.098 128 HZ3 LYS 15 2HZ LYS 15 -9.057 6.564 7.161 129 H VAL 16 HN VAL 16 -4.659 1.393 4.433 130 HA VAL 16 HA VAL 16 -2.925 2.158 6.690 131 HB VAL 16 HB VAL 16 -0.978 1.528 5.264 132 HG11 VAL 16 1HG1 VAL 16 -1.197 -0.892 5.601 133 HG12 VAL 16 2HG1 VAL 16 -2.929 -0.688 5.870 134 HG13 VAL 16 3HG1 VAL 16 -1.773 0.025 6.996 135 HG21 VAL 16 3HG2 VAL 16 -1.336 0.065 3.333 136 HG22 VAL 16 1HG2 VAL 16 -2.060 1.654 3.078 137 HG23 VAL 16 2HG2 VAL 16 -3.080 0.276 3.496 138 H LYS 17 HN LYS 17 -1.154 3.646 5.992 139 HA LYS 17 HA LYS 17 -2.075 5.515 3.928 140 HB2 LYS 17 2HB LYS 17 -2.798 6.333 6.108 141 HB3 LYS 17 1HB LYS 17 -1.157 6.240 6.706 142 HG2 LYS 17 2HG LYS 17 -0.466 8.018 5.277 143 HG3 LYS 17 1HG LYS 17 -2.012 7.997 4.422 144 HD2 LYS 17 2HD LYS 17 -3.151 8.657 6.498 145 HD3 LYS 17 1HD LYS 17 -1.593 8.708 7.327 146 HE2 LYS 17 2HE LYS 17 -0.842 10.496 5.903 147 HE3 LYS 17 1HE LYS 17 -2.301 10.377 4.920 148 HZ1 LYS 17 3HZ LYS 17 -3.613 11.092 6.788 149 HZ2 LYS 17 1HZ LYS 17 -2.379 12.222 6.500 150 HZ3 LYS 17 2HZ LYS 17 -2.248 11.130 7.794 151 H VAL 18 HN VAL 18 -0.507 6.531 2.825 152 HA VAL 18 HA VAL 18 2.041 5.203 2.803 153 HB VAL 18 HB VAL 18 1.167 7.590 1.165 154 HG11 VAL 18 1HG1 VAL 18 2.927 6.877 -0.379 155 HG12 VAL 18 2HG1 VAL 18 3.378 5.584 0.734 156 HG13 VAL 18 3HG1 VAL 18 3.579 7.270 1.212 157 HG21 VAL 18 3HG2 VAL 18 0.999 4.648 0.515 158 HG22 VAL 18 1HG2 VAL 18 0.649 5.969 -0.601 159 HG23 VAL 18 2HG2 VAL 18 -0.360 5.728 0.825 160 H ILE 19 HN ILE 19 3.088 5.711 4.676 161 HA ILE 19 HA ILE 19 3.541 8.233 5.767 162 HB ILE 19 HB ILE 19 5.604 6.033 5.679 163 HG12 ILE 19 2HG1 ILE 19 3.333 6.379 7.647 164 HG13 ILE 19 1HG1 ILE 19 3.432 5.121 6.419 165 HG21 ILE 19 1HG2 ILE 19 5.072 8.207 7.698 166 HG22 ILE 19 2HG2 ILE 19 6.391 8.179 6.528 167 HG23 ILE 19 3HG2 ILE 19 6.327 6.976 7.816 168 HD11 ILE 19 3HD1 ILE 19 4.058 4.264 8.598 169 HD12 ILE 19 1HD1 ILE 19 5.323 5.485 8.733 170 HD13 ILE 19 2HD1 ILE 19 5.436 4.231 7.498 171 H GLY 20 HN GLY 20 5.440 6.420 3.393 172 HA2 GLY 20 2HA GLY 20 6.130 8.744 1.936 173 HA3 GLY 20 1HA GLY 20 7.465 8.267 2.975 174 H ILE 21 HN ILE 21 7.701 8.356 0.273 175 HA ILE 21 HA ILE 21 7.557 5.662 -0.772 176 HB ILE 21 HB ILE 21 8.920 8.077 -1.988 177 HG12 ILE 21 2HG1 ILE 21 6.084 7.096 -2.392 178 HG13 ILE 21 1HG1 ILE 21 6.541 8.551 -1.512 179 HG21 ILE 21 1HG2 ILE 21 9.572 5.942 -2.977 180 HG22 ILE 21 2HG2 ILE 21 8.595 6.880 -4.107 181 HG23 ILE 21 3HG2 ILE 21 7.875 5.532 -3.229 182 HD11 ILE 21 3HD1 ILE 21 7.020 8.054 -4.443 183 HD12 ILE 21 1HD1 ILE 21 7.425 9.526 -3.555 184 HD13 ILE 21 2HD1 ILE 21 5.738 9.053 -3.758 185 H VAL 22 HN VAL 22 9.531 4.554 -1.504 186 HA VAL 22 HA VAL 22 11.756 5.034 0.347 187 HB VAL 22 HB VAL 22 11.189 2.599 -1.357 188 HG11 VAL 22 1HG1 VAL 22 13.567 2.879 -0.881 189 HG12 VAL 22 2HG1 VAL 22 12.904 1.502 0.001 190 HG13 VAL 22 3HG1 VAL 22 13.211 3.022 0.841 191 HG21 VAL 22 3HG2 VAL 22 10.556 1.519 0.750 192 HG22 VAL 22 1HG2 VAL 22 9.508 2.888 0.378 193 HG23 VAL 22 2HG2 VAL 22 10.775 3.052 1.595 194 HA PRO 23 HA PRO 23 13.241 7.297 -3.318 195 HB2 PRO 23 2HB PRO 23 15.498 7.626 -1.393 196 HB3 PRO 23 1HB PRO 23 14.695 8.832 -2.408 197 HG2 PRO 23 2HG PRO 23 14.155 8.716 0.180 198 HG3 PRO 23 1HG PRO 23 12.851 8.979 -0.995 199 HD2 PRO 23 2HD PRO 23 13.585 6.500 0.499 200 HD3 PRO 23 1HD PRO 23 11.980 7.130 0.077 201 H GLU 24 HN GLU 24 15.326 7.386 -4.502 202 HA GLU 24 HA GLU 24 16.816 6.337 -5.849 203 HB2 GLU 24 2HB GLU 24 17.816 5.832 -3.487 204 HB3 GLU 24 1HB GLU 24 17.242 4.199 -3.786 205 HG2 GLU 24 2HG GLU 24 18.636 3.974 -5.699 206 HG3 GLU 24 1HG GLU 24 19.064 5.685 -5.654 207 H SER 25 HN SER 25 13.964 5.569 -5.463 208 HA SER 25 HA SER 25 13.786 2.814 -6.290 209 HB2 SER 25 2HB SER 25 12.056 3.734 -4.830 210 HB3 SER 25 1HB SER 25 11.692 4.985 -6.010 211 HG SER 25 HG SER 25 11.033 2.283 -5.981 212 H LYS 26 HN LYS 26 12.947 2.131 -8.285 213 HA LYS 26 HA LYS 26 13.451 4.015 -10.477 214 HB2 LYS 26 2HB LYS 26 13.178 1.000 -10.442 215 HB3 LYS 26 1HB LYS 26 13.343 1.944 -11.914 216 HG2 LYS 26 2HG LYS 26 15.483 1.050 -11.367 217 HG3 LYS 26 1HG LYS 26 15.528 2.785 -11.054 218 HD2 LYS 26 2HD LYS 26 15.089 2.299 -8.653 219 HD3 LYS 26 1HD LYS 26 15.221 0.578 -9.021 220 HE2 LYS 26 2HE LYS 26 17.515 0.899 -9.765 221 HE3 LYS 26 1HE LYS 26 17.386 2.632 -9.458 222 HZ1 LYS 26 3HZ LYS 26 18.508 1.475 -7.648 223 HZ2 LYS 26 1HZ LYS 26 17.141 0.498 -7.404 224 HZ3 LYS 26 2HZ LYS 26 17.055 2.167 -7.118 225 H VAL 27 HN VAL 27 10.985 2.300 -8.814 226 HA VAL 27 HA VAL 27 9.006 2.957 -10.863 227 HB VAL 27 HB VAL 27 7.408 1.670 -9.485 228 HG11 VAL 27 1HG1 VAL 27 8.618 0.547 -11.258 229 HG12 VAL 27 2HG1 VAL 27 8.396 -0.547 -9.891 230 HG13 VAL 27 3HG1 VAL 27 9.962 0.218 -10.163 231 HG21 VAL 27 3HG2 VAL 27 8.220 0.326 -7.604 232 HG22 VAL 27 1HG2 VAL 27 8.394 2.054 -7.287 233 HG23 VAL 27 2HG2 VAL 27 9.803 1.094 -7.741 234 H ARG 28 HN ARG 28 10.343 4.298 -8.083 235 HA ARG 28 HA ARG 28 8.369 5.588 -6.727 236 HB2 ARG 28 2HB ARG 28 10.702 5.829 -6.161 237 HB3 ARG 28 1HB ARG 28 11.025 6.686 -7.657 238 HG2 ARG 28 2HG ARG 28 9.003 7.920 -5.914 239 HG3 ARG 28 1HG ARG 28 10.645 7.873 -5.269 240 HD2 ARG 28 2HD ARG 28 9.766 9.049 -7.903 241 HD3 ARG 28 1HD ARG 28 10.309 9.937 -6.480 242 HE ARG 28 HE ARG 28 12.412 8.321 -7.044 243 HH11 ARG 28 1HH1 ARG 28 10.581 10.649 -8.906 244 HH12 ARG 28 2HH1 ARG 28 11.896 11.000 -9.987 245 HH21 ARG 28 1HH2 ARG 28 14.145 8.778 -8.453 246 HH22 ARG 28 2HH2 ARG 28 13.916 9.921 -9.752 247 H ARG 29 HN ARG 29 9.721 6.676 -9.839 248 HA ARG 29 HA ARG 29 8.107 9.020 -9.961 249 HB2 ARG 29 2HB ARG 29 10.313 8.564 -11.176 250 HB3 ARG 29 1HB ARG 29 9.361 7.638 -12.327 251 HG2 ARG 29 2HG ARG 29 8.075 9.597 -12.903 252 HG3 ARG 29 1HG ARG 29 8.909 10.541 -11.668 253 HD2 ARG 29 2HD ARG 29 11.051 10.053 -12.892 254 HD3 ARG 29 1HD ARG 29 10.072 9.364 -14.187 255 HE ARG 29 HE ARG 29 9.112 11.941 -13.607 256 HH11 ARG 29 1HH1 ARG 29 11.907 10.382 -15.061 257 HH12 ARG 29 2HH1 ARG 29 12.320 11.771 -16.027 258 HH21 ARG 29 1HH2 ARG 29 9.644 13.736 -14.899 259 HH22 ARG 29 2HH2 ARG 29 11.041 13.673 -15.936 260 H LYS 30 HN LYS 30 7.691 5.718 -10.912 261 HA LYS 30 HA LYS 30 5.463 6.097 -12.663 262 HB2 LYS 30 2HB LYS 30 6.925 4.113 -12.755 263 HB3 LYS 30 1HB LYS 30 6.397 3.650 -11.148 264 HG2 LYS 30 2HG LYS 30 4.075 3.462 -12.051 265 HG3 LYS 30 1HG LYS 30 4.753 3.717 -13.663 266 HD2 LYS 30 2HD LYS 30 6.164 1.747 -13.393 267 HD3 LYS 30 1HD LYS 30 5.526 1.497 -11.768 268 HE2 LYS 30 2HE LYS 30 3.257 1.270 -12.777 269 HE3 LYS 30 1HE LYS 30 4.013 1.336 -14.368 270 HZ1 LYS 30 3HZ LYS 30 3.641 -0.941 -13.700 271 HZ2 LYS 30 1HZ LYS 30 4.526 -0.707 -12.268 272 HZ3 LYS 30 2HZ LYS 30 5.311 -0.632 -13.771 273 H ILE 31 HN ILE 31 5.856 5.037 -9.311 274 HA ILE 31 HA ILE 31 3.155 4.621 -8.696 275 HB ILE 31 HB ILE 31 5.423 5.426 -6.864 276 HG12 ILE 31 2HG1 ILE 31 4.257 2.700 -7.478 277 HG13 ILE 31 1HG1 ILE 31 5.751 3.325 -8.162 278 HG21 ILE 31 1HG2 ILE 31 3.276 5.867 -5.811 279 HG22 ILE 31 2HG2 ILE 31 4.066 4.482 -5.057 280 HG23 ILE 31 3HG2 ILE 31 2.739 4.231 -6.191 281 HD11 ILE 31 3HD1 ILE 31 6.756 3.406 -5.959 282 HD12 ILE 31 1HD1 ILE 31 6.154 1.787 -6.314 283 HD13 ILE 31 2HD1 ILE 31 5.246 2.848 -5.236 284 H MET 32 HN MET 32 5.169 7.532 -8.370 285 HA MET 32 HA MET 32 3.177 9.136 -7.166 286 HB2 MET 32 2HB MET 32 5.834 9.467 -7.748 287 HB3 MET 32 1HB MET 32 5.074 10.546 -8.911 288 HG2 MET 32 2HG MET 32 3.895 11.678 -7.108 289 HG3 MET 32 1HG MET 32 4.632 10.589 -5.935 290 HE1 MET 32 3HE MET 32 5.484 12.643 -4.525 291 HE2 MET 32 1HE MET 32 4.770 13.771 -5.678 292 HE3 MET 32 2HE MET 32 6.452 13.963 -5.183 293 H ASP 33 HN ASP 33 3.883 8.283 -10.473 294 HA ASP 33 HA ASP 33 2.209 10.226 -11.711 295 HB2 ASP 33 2HB ASP 33 3.995 9.060 -12.949 296 HB3 ASP 33 1HB ASP 33 3.145 7.533 -12.739 297 H MET 34 HN MET 34 1.739 7.004 -10.424 298 HA MET 34 HA MET 34 -0.859 6.504 -11.396 299 HB2 MET 34 2HB MET 34 0.481 5.586 -8.845 300 HB3 MET 34 1HB MET 34 -1.059 4.971 -9.424 301 HG2 MET 34 2HG MET 34 0.013 4.094 -11.412 302 HG3 MET 34 1HG MET 34 1.561 4.755 -10.883 303 HE1 MET 34 3HE MET 34 1.049 1.695 -11.695 304 HE2 MET 34 1HE MET 34 1.970 0.864 -10.441 305 HE3 MET 34 2HE MET 34 2.627 2.312 -11.204 306 H GLY 35 HN GLY 35 0.351 8.464 -8.796 307 HA2 GLY 35 2HA GLY 35 -1.109 10.350 -8.176 308 HA3 GLY 35 1HA GLY 35 -2.427 9.189 -8.104 309 H ILE 36 HN ILE 36 0.327 7.746 -6.927 310 HA ILE 36 HA ILE 36 -0.641 8.038 -4.199 311 HB ILE 36 HB ILE 36 1.607 6.289 -5.184 312 HG12 ILE 36 2HG1 ILE 36 -1.285 5.538 -4.726 313 HG13 ILE 36 1HG1 ILE 36 -0.579 5.826 -6.310 314 HG21 ILE 36 1HG2 ILE 36 -0.050 6.215 -2.668 315 HG22 ILE 36 2HG2 ILE 36 1.645 6.689 -2.793 316 HG23 ILE 36 3HG2 ILE 36 1.167 5.024 -3.124 317 HD11 ILE 36 3HD1 ILE 36 0.244 3.670 -4.378 318 HD12 ILE 36 1HD1 ILE 36 0.940 3.948 -5.976 319 HD13 ILE 36 2HD1 ILE 36 -0.746 3.451 -5.820 320 H VAL 37 HN VAL 37 0.280 9.254 -2.740 321 HA VAL 37 HA VAL 37 3.052 10.141 -3.040 322 HB VAL 37 HB VAL 37 2.427 12.482 -2.508 323 HG11 VAL 37 1HG1 VAL 37 1.178 11.416 -5.034 324 HG12 VAL 37 2HG1 VAL 37 2.870 11.866 -4.817 325 HG13 VAL 37 3HG1 VAL 37 1.610 13.097 -4.731 326 HG21 VAL 37 3HG2 VAL 37 0.271 12.090 -1.457 327 HG22 VAL 37 1HG2 VAL 37 -0.397 11.539 -2.992 328 HG23 VAL 37 2HG2 VAL 37 0.104 13.218 -2.801 329 H ARG 38 HN ARG 38 3.443 11.708 -0.958 330 HA ARG 38 HA ARG 38 3.080 10.019 1.309 331 HB2 ARG 38 2HB ARG 38 4.302 12.701 0.852 332 HB3 ARG 38 1HB ARG 38 3.902 12.237 2.500 333 HG2 ARG 38 2HG ARG 38 5.299 10.266 2.309 334 HG3 ARG 38 1HG ARG 38 5.665 10.668 0.634 335 HD2 ARG 38 2HD ARG 38 6.753 12.726 1.352 336 HD3 ARG 38 1HD ARG 38 6.338 12.374 3.029 337 HE ARG 38 HE ARG 38 7.834 10.442 2.890 338 HH11 ARG 38 1HH1 ARG 38 8.180 12.988 0.501 339 HH12 ARG 38 2HH1 ARG 38 9.820 12.555 0.100 340 HH21 ARG 38 1HH2 ARG 38 9.987 9.867 2.342 341 HH22 ARG 38 2HH2 ARG 38 10.836 10.803 1.142 342 H GLY 39 HN GLY 39 1.267 9.795 2.384 343 HA2 GLY 39 2HA GLY 39 -0.280 10.896 3.922 344 HA3 GLY 39 1HA GLY 39 -0.429 12.184 2.739 345 H THR 40 HN THR 40 -0.384 9.637 0.787 346 HA THR 40 HA THR 40 -3.204 9.644 0.400 347 HB THR 40 HB THR 40 -1.321 7.590 -0.730 348 HG1 THR 40 1HG THR 40 -1.590 10.324 -1.288 349 HG21 THR 40 3HG2 THR 40 -2.873 7.622 -2.620 350 HG22 THR 40 1HG2 THR 40 -3.844 8.848 -1.807 351 HG23 THR 40 2HG2 THR 40 -3.712 7.229 -1.120 352 H GLU 41 HN GLU 41 -4.697 8.087 0.840 353 HA GLU 41 HA GLU 41 -3.951 6.141 2.894 354 HB2 GLU 41 2HB GLU 41 -6.629 7.388 2.251 355 HB3 GLU 41 1HB GLU 41 -6.304 6.276 3.565 356 HG2 GLU 41 2HG GLU 41 -4.783 7.884 4.579 357 HG3 GLU 41 1HG GLU 41 -5.078 8.999 3.248 358 H ILE 42 HN ILE 42 -4.485 4.028 2.689 359 HA ILE 42 HA ILE 42 -5.550 3.196 0.070 360 HB ILE 42 HB ILE 42 -3.141 2.040 1.485 361 HG12 ILE 42 2HG1 ILE 42 -3.306 3.608 -1.102 362 HG13 ILE 42 1HG1 ILE 42 -2.683 4.223 0.425 363 HG21 ILE 42 1HG2 ILE 42 -4.409 1.307 -1.150 364 HG22 ILE 42 2HG2 ILE 42 -4.407 0.331 0.319 365 HG23 ILE 42 3HG2 ILE 42 -2.894 0.652 -0.530 366 HD11 ILE 42 3HD1 ILE 42 -0.880 3.608 -1.070 367 HD12 ILE 42 1HD1 ILE 42 -1.511 1.964 -1.181 368 HD13 ILE 42 2HD1 ILE 42 -0.889 2.568 0.354 369 H TYR 43 HN TYR 43 -7.101 1.688 0.208 370 HA TYR 43 HA TYR 43 -7.411 0.156 2.683 371 HB2 TYR 43 2HB TYR 43 -9.449 1.176 1.795 372 HB3 TYR 43 1HB TYR 43 -9.189 0.401 0.240 373 HD1 TYR 43 1HD TYR 43 -9.426 -0.642 3.835 374 HD2 TYR 43 2HD TYR 43 -10.507 -1.425 -0.209 375 HE1 TYR 43 1HE TYR 43 -10.741 -2.587 4.567 376 HE2 TYR 43 2HE TYR 43 -11.824 -3.373 0.512 377 HH TYR 43 HH TYR 43 -12.052 -4.892 2.327 378 H ILE 44 HN ILE 44 -6.658 -1.869 2.823 379 HA ILE 44 HA ILE 44 -5.686 -3.186 0.421 380 HB ILE 44 HB ILE 44 -5.620 -4.200 3.271 381 HG12 ILE 44 2HG1 ILE 44 -4.364 -2.103 3.047 382 HG13 ILE 44 1HG1 ILE 44 -3.274 -3.465 3.285 383 HG21 ILE 44 1HG2 ILE 44 -4.150 -5.094 0.791 384 HG22 ILE 44 2HG2 ILE 44 -5.423 -5.978 1.633 385 HG23 ILE 44 3HG2 ILE 44 -3.869 -5.708 2.421 386 HD11 ILE 44 3HD1 ILE 44 -2.782 -3.489 0.894 387 HD12 ILE 44 1HD1 ILE 44 -2.411 -1.926 1.621 388 HD13 ILE 44 2HD1 ILE 44 -3.875 -2.124 0.656 389 H GLU 45 HN GLU 45 -7.313 -3.951 -0.765 390 HA GLU 45 HA GLU 45 -9.695 -5.053 0.422 391 HB2 GLU 45 2HB GLU 45 -9.740 -3.691 -1.642 392 HB3 GLU 45 1HB GLU 45 -8.814 -4.935 -2.469 393 HG2 GLU 45 2HG GLU 45 -10.667 -6.520 -2.051 394 HG3 GLU 45 1HG GLU 45 -11.597 -5.188 -1.361 395 H GLY 46 HN GLY 46 -6.918 -6.242 -1.404 396 HA2 GLY 46 2HA GLY 46 -6.741 -8.700 -0.136 397 HA3 GLY 46 1HA GLY 46 -7.767 -8.946 -1.545 398 H LYS 47 HN LYS 47 -5.779 -10.419 -1.906 399 HA LYS 47 HA LYS 47 -4.187 -9.073 -3.922 400 HB2 LYS 47 2HB LYS 47 -2.061 -10.066 -3.076 401 HB3 LYS 47 1HB LYS 47 -2.710 -8.837 -2.003 402 HG2 LYS 47 2HG LYS 47 -3.802 -10.822 -0.782 403 HG3 LYS 47 1HG LYS 47 -2.622 -11.795 -1.653 404 HD2 LYS 47 2HD LYS 47 -2.062 -9.545 0.276 405 HD3 LYS 47 1HD LYS 47 -1.748 -11.261 0.528 406 HE2 LYS 47 2HE LYS 47 -0.256 -11.054 -1.569 407 HE3 LYS 47 1HE LYS 47 -0.332 -9.320 -1.259 408 HZ1 LYS 47 3HZ LYS 47 1.599 -10.203 -0.196 409 HZ2 LYS 47 1HZ LYS 47 0.697 -11.420 0.564 410 HZ3 LYS 47 2HZ LYS 47 0.483 -9.805 1.025 411 H ALA 48 HN ALA 48 -3.002 -10.700 -5.264 412 HA ALA 48 HA ALA 48 -4.562 -12.981 -5.853 413 HB1 ALA 48 1HB ALA 48 -2.703 -13.597 -7.343 414 HB2 ALA 48 2HB ALA 48 -1.712 -12.337 -6.608 415 HB3 ALA 48 3HB ALA 48 -3.154 -11.901 -7.523 416 HA PRO 49 HA PRO 49 -3.266 -16.137 -3.029 417 HB2 PRO 49 2HB PRO 49 -2.507 -17.752 -5.424 418 HB3 PRO 49 1HB PRO 49 -3.524 -18.190 -4.045 419 HG2 PRO 49 2HG PRO 49 -4.631 -17.586 -6.382 420 HG3 PRO 49 1HG PRO 49 -5.366 -17.032 -4.865 421 HD2 PRO 49 2HD PRO 49 -3.774 -15.499 -6.872 422 HD3 PRO 49 1HD PRO 49 -5.160 -14.980 -5.892 423 H MET 50 HN MET 50 -1.076 -15.428 -5.719 424 HA MET 50 HA MET 50 1.222 -16.441 -4.255 425 HB2 MET 50 2HB MET 50 1.006 -16.694 -6.728 426 HB3 MET 50 1HB MET 50 1.131 -14.949 -6.886 427 HG2 MET 50 2HG MET 50 3.371 -14.965 -6.072 428 HG3 MET 50 1HG MET 50 3.256 -16.671 -5.638 429 HE1 MET 50 3HE MET 50 1.692 -17.871 -8.143 430 HE2 MET 50 1HE MET 50 3.088 -18.634 -7.380 431 HE3 MET 50 2HE MET 50 3.054 -18.409 -9.129 432 H GLY 51 HN GLY 51 -0.571 -13.645 -4.292 433 HA2 GLY 51 2HA GLY 51 -0.208 -11.862 -2.809 434 HA3 GLY 51 1HA GLY 51 1.508 -12.201 -2.830 435 H ASP 52 HN ASP 52 0.946 -12.383 -5.924 436 HA ASP 52 HA ASP 52 0.885 -9.506 -6.424 437 HB2 ASP 52 2HB ASP 52 2.643 -9.848 -8.142 438 HB3 ASP 52 1HB ASP 52 3.212 -10.142 -6.508 439 HA PRO 53 HA PRO 53 0.418 -8.168 -7.582 440 HB2 PRO 53 2HB PRO 53 -1.642 -6.760 -8.556 441 HB3 PRO 53 1HB PRO 53 -0.323 -7.307 -9.598 442 HG2 PRO 53 2HG PRO 53 -3.069 -8.427 -9.267 443 HG3 PRO 53 1HG PRO 53 -2.092 -8.265 -10.738 444 HD2 PRO 53 2HD PRO 53 -2.382 -10.595 -9.246 445 HD3 PRO 53 1HD PRO 53 -1.074 -10.273 -10.402 446 H ILE 54 HN ILE 54 -0.670 -6.567 -6.187 447 HA ILE 54 HA ILE 54 -2.580 -7.845 -4.345 448 HB ILE 54 HB ILE 54 -1.089 -5.225 -3.995 449 HG12 ILE 54 2HG1 ILE 54 -0.336 -7.965 -2.949 450 HG13 ILE 54 1HG1 ILE 54 0.489 -7.115 -4.252 451 HG21 ILE 54 1HG2 ILE 54 -3.052 -5.430 -2.589 452 HG22 ILE 54 2HG2 ILE 54 -1.591 -5.561 -1.609 453 HG23 ILE 54 3HG2 ILE 54 -2.510 -7.009 -2.020 454 HD11 ILE 54 3HD1 ILE 54 0.311 -6.235 -1.380 455 HD12 ILE 54 1HD1 ILE 54 1.097 -5.335 -2.677 456 HD13 ILE 54 2HD1 ILE 54 1.726 -6.910 -2.190 457 H ALA 55 HN ALA 55 -4.607 -6.913 -3.967 458 HA ALA 55 HA ALA 55 -5.443 -4.875 -5.906 459 HB1 ALA 55 1HB ALA 55 -6.719 -6.959 -5.916 460 HB2 ALA 55 2HB ALA 55 -7.725 -5.597 -5.423 461 HB3 ALA 55 3HB ALA 55 -7.118 -6.729 -4.214 462 H LEU 56 HN LEU 56 -5.089 -2.917 -5.072 463 HA LEU 56 HA LEU 56 -5.853 -2.431 -2.270 464 HB2 LEU 56 2HB LEU 56 -4.059 -0.773 -4.051 465 HB3 LEU 56 1HB LEU 56 -4.398 -0.472 -2.359 466 HG LEU 56 HG LEU 56 -3.347 -2.838 -1.998 467 HD11 LEU 56 1HD1 LEU 56 -1.597 -3.373 -3.610 468 HD12 LEU 56 2HD1 LEU 56 -2.133 -2.049 -4.643 469 HD13 LEU 56 3HD1 LEU 56 -3.192 -3.431 -4.361 470 HD21 LEU 56 3HD2 LEU 56 -2.422 -0.746 -1.164 471 HD22 LEU 56 1HD2 LEU 56 -1.680 -0.440 -2.734 472 HD23 LEU 56 2HD2 LEU 56 -1.149 -1.812 -1.761 473 H ARG 57 HN ARG 57 -6.871 -0.351 -1.818 474 HA ARG 57 HA ARG 57 -8.112 0.939 -4.150 475 HB2 ARG 57 2HB ARG 57 -9.770 -0.524 -3.024 476 HB3 ARG 57 1HB ARG 57 -9.503 0.351 -1.533 477 HG2 ARG 57 2HG ARG 57 -10.409 2.364 -2.482 478 HG3 ARG 57 1HG ARG 57 -10.565 1.587 -4.060 479 HD2 ARG 57 2HD ARG 57 -12.224 0.092 -3.251 480 HD3 ARG 57 1HD ARG 57 -11.923 0.561 -1.580 481 HE ARG 57 HE ARG 57 -12.741 2.811 -3.065 482 HH11 ARG 57 1HH1 ARG 57 -14.013 -0.214 -1.851 483 HH12 ARG 57 2HH1 ARG 57 -15.608 0.425 -1.559 484 HH21 ARG 57 1HH2 ARG 57 -14.826 3.660 -2.708 485 HH22 ARG 57 2HH2 ARG 57 -16.076 2.631 -2.064 486 H LEU 58 HN LEU 58 -7.018 2.785 -4.196 487 HA LEU 58 HA LEU 58 -6.650 4.261 -1.683 488 HB2 LEU 58 2HB LEU 58 -4.421 4.985 -2.632 489 HB3 LEU 58 1HB LEU 58 -4.531 3.322 -2.089 490 HG LEU 58 HG LEU 58 -5.075 2.870 -4.633 491 HD11 LEU 58 1HD1 LEU 58 -3.442 5.401 -4.762 492 HD12 LEU 58 2HD1 LEU 58 -5.109 5.211 -5.306 493 HD13 LEU 58 3HD1 LEU 58 -3.812 4.333 -6.118 494 HD21 LEU 58 3HD2 LEU 58 -2.314 3.404 -3.553 495 HD22 LEU 58 1HD2 LEU 58 -2.683 2.469 -5.001 496 HD23 LEU 58 2HD2 LEU 58 -3.225 1.898 -3.424 497 H ARG 59 HN ARG 59 -6.657 6.504 -1.825 498 HA ARG 59 HA ARG 59 -7.044 8.587 -2.640 499 HB2 ARG 59 2HB ARG 59 -5.360 8.153 -4.312 500 HB3 ARG 59 1HB ARG 59 -6.506 7.260 -5.299 501 HG2 ARG 59 2HG ARG 59 -7.755 9.290 -5.737 502 HG3 ARG 59 1HG ARG 59 -6.667 10.204 -4.689 503 HD2 ARG 59 2HD ARG 59 -4.843 9.898 -6.163 504 HD3 ARG 59 1HD ARG 59 -5.703 8.667 -7.088 505 HE ARG 59 HE ARG 59 -7.282 10.792 -7.450 506 HH11 ARG 59 1HH1 ARG 59 -3.814 10.457 -7.686 507 HH12 ARG 59 2HH1 ARG 59 -3.645 11.685 -8.905 508 HH21 ARG 59 1HH2 ARG 59 -7.077 12.400 -9.052 509 HH22 ARG 59 2HH2 ARG 59 -5.505 12.788 -9.680 510 H GLY 60 HN GLY 60 -8.895 5.914 -3.790 511 HA2 GLY 60 2HA GLY 60 -11.366 6.558 -3.278 512 HA3 GLY 60 1HA GLY 60 -11.095 7.670 -4.611 513 H TYR 61 HN TYR 61 -9.216 5.151 -5.377 514 HA TYR 61 HA TYR 61 -11.364 3.527 -6.527 515 HB2 TYR 61 2HB TYR 61 -9.979 3.418 -8.669 516 HB3 TYR 61 1HB TYR 61 -10.881 4.893 -8.375 517 HD1 TYR 61 2HD TYR 61 -7.505 3.383 -8.315 518 HD2 TYR 61 1HD TYR 61 -9.760 6.986 -8.136 519 HE1 TYR 61 2HE TYR 61 -5.434 4.684 -8.574 520 HE2 TYR 61 1HE TYR 61 -7.698 8.295 -8.397 521 HH TYR 61 HH TYR 61 -4.702 6.883 -9.279 522 H SER 62 HN SER 62 -10.702 1.448 -7.231 523 HA SER 62 HA SER 62 -8.509 0.382 -5.659 524 HB2 SER 62 2HB SER 62 -10.645 -0.824 -5.719 525 HB3 SER 62 1HB SER 62 -10.485 -1.039 -7.459 526 HG SER 62 HG SER 62 -8.486 -1.937 -5.671 527 H LEU 63 HN LEU 63 -6.769 -0.734 -6.502 528 HA LEU 63 HA LEU 63 -6.228 -0.747 -9.341 529 HB2 LEU 63 2HB LEU 63 -5.659 1.569 -8.693 530 HB3 LEU 63 1HB LEU 63 -4.555 0.955 -7.479 531 HG LEU 63 HG LEU 63 -3.200 -0.078 -9.296 532 HD11 LEU 63 1HD1 LEU 63 -5.073 1.452 -11.097 533 HD12 LEU 63 2HD1 LEU 63 -4.950 -0.304 -10.972 534 HD13 LEU 63 3HD1 LEU 63 -3.595 0.634 -11.600 535 HD21 LEU 63 3HD2 LEU 63 -3.643 2.893 -9.568 536 HD22 LEU 63 1HD2 LEU 63 -2.201 2.004 -10.059 537 HD23 LEU 63 2HD2 LEU 63 -2.632 2.114 -8.352 538 H SER 64 HN SER 64 -4.494 -2.116 -9.864 539 HA SER 64 HA SER 64 -3.677 -3.870 -7.689 540 HB2 SER 64 2HB SER 64 -3.896 -4.142 -10.658 541 HB3 SER 64 1HB SER 64 -2.838 -5.219 -9.767 542 HG SER 64 HG SER 64 -5.632 -4.850 -9.394 543 H LEU 65 HN LEU 65 -1.651 -4.046 -7.025 544 HA LEU 65 HA LEU 65 0.462 -2.625 -8.515 545 HB2 LEU 65 2HB LEU 65 -0.110 -2.658 -5.570 546 HB3 LEU 65 1HB LEU 65 1.527 -2.424 -6.139 547 HG LEU 65 HG LEU 65 0.626 -0.279 -5.676 548 HD11 LEU 65 1HD1 LEU 65 1.980 -0.443 -7.704 549 HD12 LEU 65 2HD1 LEU 65 0.769 0.835 -7.819 550 HD13 LEU 65 3HD1 LEU 65 0.516 -0.697 -8.655 551 HD21 LEU 65 3HD2 LEU 65 -1.428 0.577 -6.679 552 HD22 LEU 65 1HD2 LEU 65 -1.746 -0.845 -5.683 553 HD23 LEU 65 2HD2 LEU 65 -1.715 -0.988 -7.441 554 H ARG 66 HN ARG 66 2.549 -3.560 -8.477 555 HA ARG 66 HA ARG 66 2.506 -6.431 -8.146 556 HB2 ARG 66 2HB ARG 66 4.473 -4.468 -9.260 557 HB3 ARG 66 1HB ARG 66 5.007 -6.094 -8.853 558 HG2 ARG 66 2HG ARG 66 2.745 -5.440 -10.733 559 HG3 ARG 66 1HG ARG 66 4.390 -5.860 -11.219 560 HD2 ARG 66 2HD ARG 66 4.174 -8.032 -10.157 561 HD3 ARG 66 1HD ARG 66 2.558 -7.615 -9.592 562 HE ARG 66 HE ARG 66 2.407 -7.316 -12.300 563 HH11 ARG 66 1HH1 ARG 66 3.386 -9.946 -10.195 564 HH12 ARG 66 2HH1 ARG 66 2.845 -11.185 -11.280 565 HH21 ARG 66 1HH2 ARG 66 1.727 -8.935 -13.735 566 HH22 ARG 66 2HH2 ARG 66 1.903 -10.607 -13.301 567 H LYS 67 HN LYS 67 4.303 -7.547 -7.046 568 HA LYS 67 HA LYS 67 4.221 -6.895 -4.301 569 HB2 LYS 67 2HB LYS 67 4.351 -9.197 -5.227 570 HB3 LYS 67 1HB LYS 67 6.000 -8.874 -5.740 571 HG2 LYS 67 2HG LYS 67 6.674 -8.581 -3.420 572 HG3 LYS 67 1HG LYS 67 5.016 -8.878 -2.895 573 HD2 LYS 67 2HD LYS 67 6.759 -10.826 -4.403 574 HD3 LYS 67 1HD LYS 67 6.417 -10.883 -2.674 575 HE2 LYS 67 2HE LYS 67 4.028 -11.162 -3.166 576 HE3 LYS 67 1HE LYS 67 4.380 -11.119 -4.891 577 HZ1 LYS 67 3HZ LYS 67 4.125 -13.385 -4.064 578 HZ2 LYS 67 1HZ LYS 67 5.411 -13.150 -2.984 579 HZ3 LYS 67 2HZ LYS 67 5.696 -13.122 -4.653 580 H SER 68 HN SER 68 6.677 -6.511 -6.798 581 HA SER 68 HA SER 68 8.746 -5.650 -5.045 582 HB2 SER 68 2HB SER 68 8.405 -5.159 -8.013 583 HB3 SER 68 1HB SER 68 9.891 -4.919 -7.098 584 HG SER 68 HG SER 68 8.579 -7.413 -7.065 585 H GLU 69 HN GLU 69 6.351 -3.924 -7.007 586 HA GLU 69 HA GLU 69 7.293 -1.315 -6.510 587 HB2 GLU 69 2HB GLU 69 4.437 -2.164 -7.040 588 HB3 GLU 69 1HB GLU 69 5.132 -0.572 -7.310 589 HG2 GLU 69 2HG GLU 69 6.540 -1.424 -9.063 590 HG3 GLU 69 1HG GLU 69 6.003 -3.072 -8.740 591 H ALA 70 HN ALA 70 5.110 -3.427 -4.777 592 HA ALA 70 HA ALA 70 4.203 -1.548 -2.869 593 HB1 ALA 70 1HB ALA 70 4.389 -4.551 -2.668 594 HB2 ALA 70 2HB ALA 70 3.025 -3.636 -3.309 595 HB3 ALA 70 3HB ALA 70 3.454 -3.503 -1.603 596 H LYS 71 HN LYS 71 7.169 -3.293 -3.198 597 HA LYS 71 HA LYS 71 7.928 -3.144 -0.428 598 HB2 LYS 71 2HB LYS 71 8.850 -4.878 -1.896 599 HB3 LYS 71 1HB LYS 71 9.587 -3.646 -2.909 600 HG2 LYS 71 2HG LYS 71 10.960 -2.943 -0.974 601 HG3 LYS 71 1HG LYS 71 10.283 -4.288 -0.056 602 HD2 LYS 71 2HD LYS 71 11.776 -4.590 -2.656 603 HD3 LYS 71 1HD LYS 71 12.513 -4.750 -1.064 604 HE2 LYS 71 2HE LYS 71 10.967 -6.586 -0.549 605 HE3 LYS 71 1HE LYS 71 10.269 -6.437 -2.160 606 HZ1 LYS 71 3HZ LYS 71 13.133 -7.026 -1.660 607 HZ2 LYS 71 1HZ LYS 71 12.313 -7.102 -3.140 608 HZ3 LYS 71 2HZ LYS 71 11.964 -8.223 -1.920 609 H ASP 72 HN ASP 72 8.202 -1.141 -3.242 610 HA ASP 72 HA ASP 72 10.204 0.611 -2.152 611 HB2 ASP 72 2HB ASP 72 8.525 0.605 -4.640 612 HB3 ASP 72 1HB ASP 72 9.453 2.030 -4.199 613 H ILE 73 HN ILE 73 7.247 0.175 -1.099 614 HA ILE 73 HA ILE 73 6.839 3.028 -0.483 615 HB ILE 73 HB ILE 73 4.637 0.990 -0.899 616 HG12 ILE 73 2HG1 ILE 73 5.416 3.372 -2.597 617 HG13 ILE 73 1HG1 ILE 73 5.720 1.690 -3.013 618 HG21 ILE 73 1HG2 ILE 73 3.126 2.908 -0.661 619 HG22 ILE 73 2HG2 ILE 73 4.506 3.950 -0.313 620 HG23 ILE 73 3HG2 ILE 73 4.081 2.646 0.797 621 HD11 ILE 73 3HD1 ILE 73 3.791 2.578 -4.198 622 HD12 ILE 73 1HD1 ILE 73 3.011 2.944 -2.661 623 HD13 ILE 73 2HD1 ILE 73 3.327 1.270 -3.111 624 H LEU 74 HN LEU 74 6.741 3.481 1.639 625 HA LEU 74 HA LEU 74 6.422 1.253 3.537 626 HB2 LEU 74 2HB LEU 74 7.676 3.983 3.849 627 HB3 LEU 74 1HB LEU 74 7.405 2.882 5.182 628 HG LEU 74 HG LEU 74 9.185 2.331 2.809 629 HD11 LEU 74 1HD1 LEU 74 10.098 4.066 4.253 630 HD12 LEU 74 2HD1 LEU 74 11.019 2.572 4.405 631 HD13 LEU 74 3HD1 LEU 74 9.871 3.030 5.661 632 HD21 LEU 74 3HD2 LEU 74 9.923 0.390 4.121 633 HD22 LEU 74 1HD2 LEU 74 8.209 0.295 3.712 634 HD23 LEU 74 2HD2 LEU 74 8.703 0.761 5.340 635 H VAL 75 HN VAL 75 4.619 1.181 4.755 636 HA VAL 75 HA VAL 75 2.944 3.604 4.870 637 HB VAL 75 HB VAL 75 0.923 2.179 4.594 638 HG11 VAL 75 1HG1 VAL 75 1.765 3.447 2.705 639 HG12 VAL 75 2HG1 VAL 75 1.120 1.898 2.163 640 HG13 VAL 75 3HG1 VAL 75 2.864 2.134 2.287 641 HG21 VAL 75 3HG2 VAL 75 1.165 -0.064 3.636 642 HG22 VAL 75 1HG2 VAL 75 1.884 0.036 5.243 643 HG23 VAL 75 2HG2 VAL 75 2.916 0.053 3.813 644 H GLU 76 HN GLU 76 1.352 3.613 6.531 645 HA GLU 76 HA GLU 76 1.954 1.878 8.839 646 HB2 GLU 76 2HB GLU 76 2.691 4.122 9.342 647 HB3 GLU 76 1HB GLU 76 1.184 4.804 8.753 648 HG2 GLU 76 2HG GLU 76 1.195 4.874 11.140 649 HG3 GLU 76 1HG GLU 76 -0.004 3.699 10.606 650 H VAL 77 HN VAL 77 0.155 1.162 10.045 651 HA VAL 77 HA VAL 77 -2.314 1.127 8.489 652 HB VAL 77 HB VAL 77 -1.434 -1.023 9.263 653 HG11 VAL 77 1HG1 VAL 77 -0.338 -0.320 11.311 654 HG12 VAL 77 2HG1 VAL 77 -1.469 -1.636 11.629 655 HG13 VAL 77 3HG1 VAL 77 -1.902 0.022 12.049 656 HG21 VAL 77 3HG2 VAL 77 -3.824 -0.812 8.925 657 HG22 VAL 77 1HG2 VAL 77 -4.029 -0.260 10.588 658 HG23 VAL 77 2HG2 VAL 77 -3.488 -1.907 10.265 659 H LEU 78 HN LEU 78 -4.166 2.103 9.103 660 HA LEU 78 HA LEU 78 -3.982 4.074 11.180 661 HB2 LEU 78 2HB LEU 78 -6.077 3.354 9.180 662 HB3 LEU 78 1HB LEU 78 -6.453 4.443 10.503 663 HG LEU 78 HG LEU 78 -5.913 5.757 8.596 664 HD11 LEU 78 1HD1 LEU 78 -4.016 7.064 9.400 665 HD12 LEU 78 2HD1 LEU 78 -3.595 5.754 10.505 666 HD13 LEU 78 3HD1 LEU 78 -5.117 6.623 10.705 667 HD21 LEU 78 3HD2 LEU 78 -4.682 4.119 7.301 668 HD22 LEU 78 1HD2 LEU 78 -3.327 4.235 8.423 669 HD23 LEU 78 2HD2 LEU 78 -3.771 5.624 7.431 670 H LEU 79 HN LEU 79 -5.080 0.897 10.997 671 HA LEU 79 HA LEU 79 -7.007 0.976 13.065 672 HB2 LEU 79 2HB LEU 79 -5.426 -1.349 11.968 673 HB3 LEU 79 1HB LEU 79 -6.803 -1.480 13.041 674 HG LEU 79 HG LEU 79 -6.862 -0.397 10.224 675 HD11 LEU 79 1HD1 LEU 79 -7.937 -2.965 11.384 676 HD12 LEU 79 2HD1 LEU 79 -6.529 -2.816 10.332 677 HD13 LEU 79 3HD1 LEU 79 -8.134 -2.413 9.720 678 HD21 LEU 79 3HD2 LEU 79 -9.123 -0.890 12.159 679 HD22 LEU 79 1HD2 LEU 79 -9.273 -0.327 10.495 680 HD23 LEU 79 2HD2 LEU 79 -8.495 0.693 11.706 681 H GLU 80 HN GLU 80 -6.779 0.256 15.199 682 HA GLU 80 HA GLU 80 -4.589 1.189 16.595 683 HB2 GLU 80 2HB GLU 80 -6.339 -1.092 17.528 684 HB3 GLU 80 1HB GLU 80 -5.438 0.035 18.532 685 HG2 GLU 80 2HG GLU 80 -7.490 0.959 18.720 686 HG3 GLU 80 1HG GLU 80 -6.957 1.795 17.262 687 H HIS 81 HN HIS 81 -2.686 0.366 17.300 688 HA HIS 81 HA HIS 81 -1.636 -1.839 15.786 689 HB2 HIS 81 2HB HIS 81 -0.427 0.064 17.781 690 HB3 HIS 81 1HB HIS 81 0.487 -1.272 17.089 691 HD1 HIS 81 1HD HIS 81 -0.914 2.084 16.284 692 HD2 HIS 81 2HD HIS 81 1.106 -0.997 14.341 693 HE1 HIS 81 1HE HIS 81 -0.142 3.046 14.093 694 HE2 HIS 81 2HE HIS 81 1.125 1.193 12.953 695 H HIS 82 HN HIS 82 -3.660 -2.607 17.559 696 HA HIS 82 HA HIS 82 -2.293 -4.827 18.807 697 HB2 HIS 82 2HB HIS 82 -2.489 -3.105 20.624 698 HB3 HIS 82 1HB HIS 82 -4.236 -3.151 20.419 699 HD1 HIS 82 1HD HIS 82 -1.356 -5.268 21.614 700 HD2 HIS 82 2HD HIS 82 -5.518 -5.274 21.651 701 HE1 HIS 82 1HE HIS 82 -2.022 -7.121 23.183 702 HE2 HIS 82 2HE HIS 82 -4.538 -7.221 23.050 703 H HIS 83 HN HIS 83 -5.122 -3.192 17.644 704 HA HIS 83 HA HIS 83 -6.974 -5.321 17.770 705 HB2 HIS 83 2HB HIS 83 -7.412 -2.836 17.238 706 HB3 HIS 83 1HB HIS 83 -6.895 -3.219 15.601 707 HD1 HIS 83 1HD HIS 83 -8.375 -5.802 15.016 708 HD2 HIS 83 2HD HIS 83 -10.090 -2.631 17.099 709 HE1 HIS 83 1HE HIS 83 -10.860 -6.057 14.725 710 HE2 HIS 83 2HE HIS 83 -11.880 -4.107 15.953 711 H HIS 84 HN HIS 84 -4.385 -4.460 15.604 712 HA HIS 84 HA HIS 84 -5.001 -6.521 13.678 713 HB2 HIS 84 2HB HIS 84 -3.421 -4.222 13.673 714 HB3 HIS 84 1HB HIS 84 -2.261 -5.545 13.635 715 HD1 HIS 84 1HD HIS 84 -1.620 -6.091 11.315 716 HD2 HIS 84 2HD HIS 84 -5.595 -4.882 11.587 717 HE1 HIS 84 1HE HIS 84 -2.520 -6.158 8.967 718 HE2 HIS 84 2HE HIS 84 -4.924 -5.423 9.148 719 H HIS 85 HN HIS 85 -4.891 -8.526 14.467 720 HA HIS 85 HA HIS 85 -2.810 -9.133 16.455 721 HB2 HIS 85 2HB HIS 85 -5.060 -9.344 17.312 722 HB3 HIS 85 1HB HIS 85 -5.522 -10.377 15.966 723 HD1 HIS 85 1HD HIS 85 -4.604 -12.839 15.987 724 HD2 HIS 85 2HD HIS 85 -3.801 -10.620 19.422 725 HE1 HIS 85 1HE HIS 85 -3.902 -14.507 17.733 726 HE2 HIS 85 2HE HIS 85 -3.612 -13.168 19.846 727 H HIS 86 HN HIS 86 -4.306 -10.313 13.495 728 HA HIS 86 HA HIS 86 -3.926 -12.108 12.154 729 HB2 HIS 86 2HB HIS 86 -1.179 -11.751 13.332 730 HB3 HIS 86 1HB HIS 86 -1.528 -13.125 12.293 731 HD1 HIS 86 1HD HIS 86 -1.162 -12.751 9.877 732 HD2 HIS 86 2HD HIS 86 -1.695 -9.182 11.952 733 HE1 HIS 86 1HE HIS 86 -0.722 -10.922 8.206 734 HE2 HIS 86 2HE HIS 86 -0.922 -8.783 9.516 Start of MODEL 6 1 H1 MET 1 H1 MET 1 14.207 10.337 12.174 2 H2 MET 1 H2 MET 1 12.953 10.145 11.051 3 H3 MET 1 H3 MET 1 14.365 9.216 10.909 4 HA MET 1 HA MET 1 13.875 8.136 13.020 5 HB2 MET 1 2HB MET 1 11.381 9.827 12.808 6 HB3 MET 1 1HB MET 1 11.477 8.399 13.829 7 HG2 MET 1 2HG MET 1 13.280 9.412 15.103 8 HG3 MET 1 1HG MET 1 13.233 10.831 14.058 9 HE1 MET 1 2HE MET 1 13.059 12.259 16.375 10 HE2 MET 1 3HE MET 1 12.992 10.767 17.312 11 HE3 MET 1 1HE MET 1 11.772 12.018 17.557 12 H THR 2 HN THR 2 13.714 6.153 12.255 13 HA THR 2 HA THR 2 12.334 5.574 9.828 14 HB THR 2 HB THR 2 13.460 3.597 11.817 15 HG1 THR 2 1HG THR 2 15.135 4.960 11.281 16 HG21 THR 2 3HG2 THR 2 12.058 2.578 10.106 17 HG22 THR 2 1HG2 THR 2 13.752 2.186 9.811 18 HG23 THR 2 2HG2 THR 2 12.952 3.424 8.843 19 H LYS 3 HN LYS 3 10.145 5.725 9.905 20 HA LYS 3 HA LYS 3 8.837 3.732 11.615 21 HB2 LYS 3 2HB LYS 3 6.902 5.187 11.932 22 HB3 LYS 3 1HB LYS 3 8.352 5.916 12.600 23 HG2 LYS 3 2HG LYS 3 8.496 7.469 10.808 24 HG3 LYS 3 1HG LYS 3 7.239 6.628 9.898 25 HD2 LYS 3 2HD LYS 3 5.617 7.168 11.656 26 HD3 LYS 3 1HD LYS 3 6.874 8.016 12.551 27 HE2 LYS 3 2HE LYS 3 6.011 8.762 9.766 28 HE3 LYS 3 1HE LYS 3 5.333 9.482 11.223 29 HZ1 LYS 3 3HZ LYS 3 8.112 9.682 10.208 30 HZ2 LYS 3 1HZ LYS 3 7.700 10.088 11.806 31 HZ3 LYS 3 2HZ LYS 3 7.005 10.931 10.511 32 H GLY 4 HN GLY 4 6.742 3.003 10.738 33 HA2 GLY 4 2HA GLY 4 5.363 2.429 8.952 34 HA3 GLY 4 1HA GLY 4 6.362 3.411 7.891 35 H ILE 5 HN ILE 5 5.367 0.752 7.413 36 HA ILE 5 HA ILE 5 7.939 -0.653 7.093 37 HB ILE 5 HB ILE 5 6.629 -2.793 7.145 38 HG12 ILE 5 2HG1 ILE 5 4.442 -0.999 8.228 39 HG13 ILE 5 1HG1 ILE 5 4.407 -1.846 6.687 40 HG21 ILE 5 1HG2 ILE 5 6.447 -2.882 9.591 41 HG22 ILE 5 2HG2 ILE 5 6.575 -1.125 9.655 42 HG23 ILE 5 3HG2 ILE 5 7.931 -2.088 9.066 43 HD11 ILE 5 3HD1 ILE 5 4.457 -3.988 7.891 44 HD12 ILE 5 1HD1 ILE 5 3.059 -3.002 8.321 45 HD13 ILE 5 2HD1 ILE 5 4.434 -3.107 9.419 46 H GLY 6 HN GLY 6 7.478 -2.482 5.263 47 HA2 GLY 6 2HA GLY 6 6.746 -0.935 2.939 48 HA3 GLY 6 1HA GLY 6 7.286 -2.605 2.947 49 H LEU 7 HN LEU 7 5.114 -1.474 1.428 50 HA LEU 7 HA LEU 7 2.594 -2.004 2.533 51 HB2 LEU 7 2HB LEU 7 2.993 -0.730 0.452 52 HB3 LEU 7 1HB LEU 7 3.455 -2.214 -0.356 53 HG LEU 7 HG LEU 7 1.154 -3.090 0.029 54 HD11 LEU 7 1HD1 LEU 7 0.583 -1.742 1.977 55 HD12 LEU 7 2HD1 LEU 7 -0.602 -1.525 0.689 56 HD13 LEU 7 3HD1 LEU 7 0.614 -0.282 0.986 57 HD21 LEU 7 3HD2 LEU 7 0.092 -1.730 -1.692 58 HD22 LEU 7 1HD2 LEU 7 1.782 -2.041 -2.094 59 HD23 LEU 7 2HD2 LEU 7 1.301 -0.468 -1.458 60 H ASN 8 HN ASN 8 5.010 -4.120 1.195 61 HA ASN 8 HA ASN 8 3.306 -6.375 0.828 62 HB2 ASN 8 2HB ASN 8 5.442 -7.668 0.698 63 HB3 ASN 8 1HB ASN 8 5.360 -6.308 -0.409 64 HD21 ASN 8 1HD2 ASN 8 7.578 -6.191 -0.613 65 HD22 ASN 8 2HD2 ASN 8 8.603 -5.604 0.652 66 H GLU 9 HN GLU 9 4.563 -4.903 3.613 67 HA GLU 9 HA GLU 9 4.604 -7.353 5.183 68 HB2 GLU 9 2HB GLU 9 5.233 -4.481 5.852 69 HB3 GLU 9 1HB GLU 9 5.276 -5.780 7.024 70 HG2 GLU 9 2HG GLU 9 7.036 -6.875 5.778 71 HG3 GLU 9 1HG GLU 9 6.964 -5.622 4.543 72 H VAL 10 HN VAL 10 2.309 -5.254 4.131 73 HA VAL 10 HA VAL 10 0.820 -5.063 6.625 74 HB VAL 10 HB VAL 10 -0.032 -4.104 3.896 75 HG11 VAL 10 1HG1 VAL 10 -1.423 -2.531 5.151 76 HG12 VAL 10 2HG1 VAL 10 -0.862 -3.249 6.661 77 HG13 VAL 10 3HG1 VAL 10 -1.826 -4.205 5.534 78 HG21 VAL 10 3HG2 VAL 10 2.128 -3.122 4.417 79 HG22 VAL 10 1HG2 VAL 10 1.528 -2.605 5.993 80 HG23 VAL 10 2HG2 VAL 10 0.855 -1.904 4.521 81 H GLU 11 HN GLU 11 -1.450 -5.728 6.680 82 HA GLU 11 HA GLU 11 -1.831 -8.292 5.314 83 HB2 GLU 11 2HB GLU 11 -1.989 -8.080 7.851 84 HB3 GLU 11 1HB GLU 11 -3.475 -7.183 7.595 85 HG2 GLU 11 2HG GLU 11 -4.301 -9.198 6.304 86 HG3 GLU 11 1HG GLU 11 -2.903 -10.057 6.945 87 H ILE 12 HN ILE 12 -4.242 -8.741 4.849 88 HA ILE 12 HA ILE 12 -5.196 -6.659 3.101 89 HB ILE 12 HB ILE 12 -6.995 -8.242 2.521 90 HG12 ILE 12 2HG1 ILE 12 -5.644 -10.088 4.505 91 HG13 ILE 12 1HG1 ILE 12 -7.201 -9.303 4.750 92 HG21 ILE 12 1HG2 ILE 12 -4.225 -9.431 2.498 93 HG22 ILE 12 2HG2 ILE 12 -4.895 -8.315 1.309 94 HG23 ILE 12 3HG2 ILE 12 -5.566 -9.939 1.471 95 HD11 ILE 12 3HD1 ILE 12 -6.544 -11.332 2.630 96 HD12 ILE 12 1HD1 ILE 12 -8.098 -10.520 2.822 97 HD13 ILE 12 2HD1 ILE 12 -7.505 -11.600 4.084 98 H LYS 13 HN LYS 13 -7.702 -6.375 3.132 99 HA LYS 13 HA LYS 13 -9.497 -5.386 4.052 100 HB2 LYS 13 2HB LYS 13 -10.609 -6.511 5.834 101 HB3 LYS 13 1HB LYS 13 -9.824 -7.729 4.843 102 HG2 LYS 13 2HG LYS 13 -8.105 -8.041 6.479 103 HG3 LYS 13 1HG LYS 13 -8.696 -6.673 7.425 104 HD2 LYS 13 2HD LYS 13 -10.732 -7.839 7.939 105 HD3 LYS 13 1HD LYS 13 -10.297 -9.160 6.855 106 HE2 LYS 13 2HE LYS 13 -8.798 -8.368 9.348 107 HE3 LYS 13 1HE LYS 13 -9.913 -9.729 9.210 108 HZ1 LYS 13 3HZ LYS 13 -7.753 -10.594 8.963 109 HZ2 LYS 13 1HZ LYS 13 -7.295 -9.386 7.866 110 HZ3 LYS 13 2HZ LYS 13 -8.420 -10.573 7.405 111 H SER 14 HN SER 14 -6.793 -4.335 4.808 112 HA SER 14 HA SER 14 -7.616 -2.862 7.219 113 HB2 SER 14 2HB SER 14 -4.775 -3.524 6.412 114 HB3 SER 14 1HB SER 14 -5.296 -2.738 7.900 115 HG SER 14 HG SER 14 -6.055 -5.368 7.123 116 H LYS 15 HN LYS 15 -6.996 -0.651 7.331 117 HA LYS 15 HA LYS 15 -6.377 0.522 4.715 118 HB2 LYS 15 2HB LYS 15 -7.442 2.571 5.495 119 HB3 LYS 15 1HB LYS 15 -8.554 1.220 5.602 120 HG2 LYS 15 2HG LYS 15 -8.204 1.088 7.997 121 HG3 LYS 15 1HG LYS 15 -7.016 2.392 7.910 122 HD2 LYS 15 2HD LYS 15 -8.739 3.916 7.095 123 HD3 LYS 15 1HD LYS 15 -9.925 2.616 7.145 124 HE2 LYS 15 2HE LYS 15 -10.224 3.974 9.092 125 HE3 LYS 15 1HE LYS 15 -9.535 2.430 9.594 126 HZ1 LYS 15 3HZ LYS 15 -7.984 4.941 9.197 127 HZ2 LYS 15 1HZ LYS 15 -7.377 3.468 9.768 128 HZ3 LYS 15 2HZ LYS 15 -8.492 4.330 10.704 129 H VAL 16 HN VAL 16 -4.603 1.687 4.465 130 HA VAL 16 HA VAL 16 -3.051 2.428 6.857 131 HB VAL 16 HB VAL 16 -0.970 1.843 5.674 132 HG11 VAL 16 1HG1 VAL 16 -1.146 -0.592 5.857 133 HG12 VAL 16 2HG1 VAL 16 -2.904 -0.459 5.899 134 HG13 VAL 16 3HG1 VAL 16 -1.937 0.222 7.207 135 HG21 VAL 16 3HG2 VAL 16 -1.781 2.064 3.378 136 HG22 VAL 16 1HG2 VAL 16 -2.785 0.630 3.590 137 HG23 VAL 16 2HG2 VAL 16 -1.027 0.491 3.639 138 H LYS 17 HN LYS 17 -1.452 4.067 6.440 139 HA LYS 17 HA LYS 17 -2.255 5.869 4.257 140 HB2 LYS 17 2HB LYS 17 -2.764 6.849 6.401 141 HB3 LYS 17 1HB LYS 17 -1.149 6.507 6.986 142 HG2 LYS 17 2HG LYS 17 -0.311 8.039 5.156 143 HG3 LYS 17 1HG LYS 17 -1.992 8.510 4.912 144 HD2 LYS 17 2HD LYS 17 -0.499 8.747 7.523 145 HD3 LYS 17 1HD LYS 17 -0.721 10.065 6.375 146 HE2 LYS 17 2HE LYS 17 -3.172 9.809 6.628 147 HE3 LYS 17 1HE LYS 17 -2.886 8.579 7.859 148 HZ1 LYS 17 3HZ LYS 17 -3.296 10.719 8.883 149 HZ2 LYS 17 1HZ LYS 17 -2.034 11.425 7.998 150 HZ3 LYS 17 2HZ LYS 17 -1.689 10.253 9.170 151 H VAL 18 HN VAL 18 -0.665 6.778 3.045 152 HA VAL 18 HA VAL 18 1.817 5.360 2.915 153 HB VAL 18 HB VAL 18 1.003 7.869 1.434 154 HG11 VAL 18 1HG1 VAL 18 3.418 7.521 1.421 155 HG12 VAL 18 2HG1 VAL 18 2.739 7.210 -0.176 156 HG13 VAL 18 3HG1 VAL 18 3.188 5.861 0.866 157 HG21 VAL 18 3HG2 VAL 18 0.448 6.343 -0.411 158 HG22 VAL 18 1HG2 VAL 18 -0.555 6.052 1.010 159 HG23 VAL 18 2HG2 VAL 18 0.785 4.967 0.639 160 H ILE 19 HN ILE 19 2.955 5.674 4.735 161 HA ILE 19 HA ILE 19 3.456 8.139 6.002 162 HB ILE 19 HB ILE 19 5.169 5.651 6.010 163 HG12 ILE 19 2HG1 ILE 19 2.888 5.145 6.719 164 HG13 ILE 19 1HG1 ILE 19 3.983 5.073 8.096 165 HG21 ILE 19 1HG2 ILE 19 6.378 7.578 6.846 166 HG22 ILE 19 2HG2 ILE 19 6.000 6.474 8.168 167 HG23 ILE 19 3HG2 ILE 19 5.058 7.950 7.955 168 HD11 ILE 19 3HD1 ILE 19 3.227 7.274 8.814 169 HD12 ILE 19 1HD1 ILE 19 1.877 6.147 8.671 170 HD13 ILE 19 2HD1 ILE 19 2.148 7.363 7.422 171 H GLY 20 HN GLY 20 5.176 6.304 3.519 172 HA2 GLY 20 2HA GLY 20 6.248 8.642 2.348 173 HA3 GLY 20 1HA GLY 20 7.474 7.859 3.332 174 H ILE 21 HN ILE 21 8.271 7.967 0.970 175 HA ILE 21 HA ILE 21 7.766 5.337 -0.238 176 HB ILE 21 HB ILE 21 8.345 7.887 -1.773 177 HG12 ILE 21 2HG1 ILE 21 5.766 6.321 -1.533 178 HG13 ILE 21 1HG1 ILE 21 6.076 7.908 -0.839 179 HG21 ILE 21 1HG2 ILE 21 7.879 6.549 -3.764 180 HG22 ILE 21 2HG2 ILE 21 7.632 5.123 -2.757 181 HG23 ILE 21 3HG2 ILE 21 9.227 5.872 -2.849 182 HD11 ILE 21 3HD1 ILE 21 5.977 7.237 -3.769 183 HD12 ILE 21 1HD1 ILE 21 6.334 8.827 -3.095 184 HD13 ILE 21 2HD1 ILE 21 4.748 8.099 -2.844 185 H VAL 22 HN VAL 22 9.669 4.530 -1.428 186 HA VAL 22 HA VAL 22 12.147 5.366 -0.099 187 HB VAL 22 HB VAL 22 11.649 2.854 -1.706 188 HG11 VAL 22 1HG1 VAL 22 13.997 3.504 -1.554 189 HG12 VAL 22 2HG1 VAL 22 13.679 2.033 -0.636 190 HG13 VAL 22 3HG1 VAL 22 13.866 3.573 0.203 191 HG21 VAL 22 3HG2 VAL 22 10.198 2.879 0.242 192 HG22 VAL 22 1HG2 VAL 22 11.577 3.242 1.282 193 HG23 VAL 22 2HG2 VAL 22 11.488 1.692 0.445 194 HA PRO 23 HA PRO 23 12.568 7.383 -4.177 195 HB2 PRO 23 2HB PRO 23 14.681 8.894 -2.802 196 HB3 PRO 23 1HB PRO 23 13.227 9.480 -3.614 197 HG2 PRO 23 2HG PRO 23 13.465 9.554 -0.947 198 HG3 PRO 23 1HG PRO 23 11.911 9.224 -1.734 199 HD2 PRO 23 2HD PRO 23 13.848 7.300 -0.492 200 HD3 PRO 23 1HD PRO 23 12.077 7.355 -0.356 201 H GLU 24 HN GLU 24 14.749 8.165 -5.305 202 HA GLU 24 HA GLU 24 16.434 7.446 -6.586 203 HB2 GLU 24 2HB GLU 24 17.207 6.146 -3.978 204 HB3 GLU 24 1HB GLU 24 18.186 6.042 -5.424 205 HG2 GLU 24 2HG GLU 24 19.048 7.783 -4.025 206 HG3 GLU 24 1HG GLU 24 18.360 8.493 -5.481 207 H SER 25 HN SER 25 13.933 6.006 -6.354 208 HA SER 25 HA SER 25 14.747 3.325 -7.250 209 HB2 SER 25 2HB SER 25 13.283 3.502 -5.179 210 HB3 SER 25 1HB SER 25 12.030 4.160 -6.218 211 HG SER 25 HG SER 25 12.167 1.752 -5.729 212 H LYS 26 HN LYS 26 13.708 2.492 -9.113 213 HA LYS 26 HA LYS 26 12.905 4.534 -10.998 214 HB2 LYS 26 2HB LYS 26 13.225 1.542 -11.276 215 HB3 LYS 26 1HB LYS 26 12.698 2.585 -12.590 216 HG2 LYS 26 2HG LYS 26 14.978 2.281 -12.966 217 HG3 LYS 26 1HG LYS 26 14.874 3.871 -12.209 218 HD2 LYS 26 2HD LYS 26 16.712 2.662 -11.233 219 HD3 LYS 26 1HD LYS 26 15.428 2.803 -10.030 220 HE2 LYS 26 2HE LYS 26 14.691 0.528 -10.565 221 HE3 LYS 26 1HE LYS 26 15.987 0.388 -11.753 222 HZ1 LYS 26 3HZ LYS 26 17.593 0.690 -9.950 223 HZ2 LYS 26 1HZ LYS 26 16.607 -0.668 -9.698 224 HZ3 LYS 26 2HZ LYS 26 16.328 0.759 -8.823 225 H VAL 27 HN VAL 27 11.457 1.971 -9.115 226 HA VAL 27 HA VAL 27 8.875 2.265 -10.343 227 HB VAL 27 HB VAL 27 8.038 0.792 -8.554 228 HG11 VAL 27 1HG1 VAL 27 10.562 -0.158 -9.903 229 HG12 VAL 27 2HG1 VAL 27 8.931 -0.195 -10.575 230 HG13 VAL 27 3HG1 VAL 27 9.336 -1.203 -9.185 231 HG21 VAL 27 3HG2 VAL 27 9.623 -0.227 -6.976 232 HG22 VAL 27 1HG2 VAL 27 9.451 1.509 -6.720 233 HG23 VAL 27 2HG2 VAL 27 10.876 0.877 -7.543 234 H ARG 28 HN ARG 28 10.603 3.789 -7.753 235 HA ARG 28 HA ARG 28 8.592 4.976 -6.274 236 HB2 ARG 28 2HB ARG 28 11.055 5.242 -5.917 237 HB3 ARG 28 1HB ARG 28 11.104 6.338 -7.285 238 HG2 ARG 28 2HG ARG 28 9.394 6.877 -4.878 239 HG3 ARG 28 1HG ARG 28 11.089 7.351 -4.955 240 HD2 ARG 28 2HD ARG 28 8.878 8.231 -6.807 241 HD3 ARG 28 1HD ARG 28 9.680 9.213 -5.583 242 HE ARG 28 HE ARG 28 11.742 8.465 -7.137 243 HH11 ARG 28 1HH1 ARG 28 8.623 9.879 -7.885 244 HH12 ARG 28 2HH1 ARG 28 9.185 10.685 -9.322 245 HH21 ARG 28 1HH2 ARG 28 12.490 9.532 -9.013 246 HH22 ARG 28 2HH2 ARG 28 11.389 10.496 -9.955 247 H ARG 29 HN ARG 29 9.866 5.923 -9.422 248 HA ARG 29 HA ARG 29 8.348 8.232 -9.864 249 HB2 ARG 29 2HB ARG 29 10.229 7.691 -11.271 250 HB3 ARG 29 1HB ARG 29 9.485 6.180 -11.774 251 HG2 ARG 29 2HG ARG 29 7.702 7.493 -12.887 252 HG3 ARG 29 1HG ARG 29 8.586 8.966 -12.473 253 HD2 ARG 29 2HD ARG 29 9.059 8.214 -14.766 254 HD3 ARG 29 1HD ARG 29 10.500 8.216 -13.751 255 HE ARG 29 HE ARG 29 9.179 5.666 -13.806 256 HH11 ARG 29 1HH1 ARG 29 11.433 7.728 -15.533 257 HH12 ARG 29 2HH1 ARG 29 12.235 6.396 -16.316 258 HH21 ARG 29 1HH2 ARG 29 10.260 3.925 -14.807 259 HH22 ARG 29 2HH2 ARG 29 11.595 4.239 -15.877 260 H LYS 30 HN LYS 30 7.733 4.865 -10.701 261 HA LYS 30 HA LYS 30 5.302 5.123 -12.027 262 HB2 LYS 30 2HB LYS 30 6.722 3.090 -11.907 263 HB3 LYS 30 1HB LYS 30 6.225 2.869 -10.241 264 HG2 LYS 30 2HG LYS 30 3.896 2.600 -11.000 265 HG3 LYS 30 1HG LYS 30 4.457 2.728 -12.670 266 HD2 LYS 30 2HD LYS 30 5.932 0.796 -12.295 267 HD3 LYS 30 1HD LYS 30 5.299 0.648 -10.656 268 HE2 LYS 30 2HE LYS 30 3.045 0.296 -11.602 269 HE3 LYS 30 1HE LYS 30 3.743 0.354 -13.221 270 HZ1 LYS 30 3HZ LYS 30 4.284 -1.649 -11.099 271 HZ2 LYS 30 1HZ LYS 30 5.182 -1.532 -12.536 272 HZ3 LYS 30 2HZ LYS 30 3.538 -1.913 -12.601 273 H ILE 31 HN ILE 31 5.961 4.550 -8.599 274 HA ILE 31 HA ILE 31 3.337 4.347 -7.665 275 HB ILE 31 HB ILE 31 5.746 5.475 -6.218 276 HG12 ILE 31 2HG1 ILE 31 4.662 2.651 -6.205 277 HG13 ILE 31 1HG1 ILE 31 6.018 3.177 -7.199 278 HG21 ILE 31 1HG2 ILE 31 4.581 4.817 -4.168 279 HG22 ILE 31 2HG2 ILE 31 3.185 4.315 -5.122 280 HG23 ILE 31 3HG2 ILE 31 3.657 6.014 -5.078 281 HD11 ILE 31 3HD1 ILE 31 6.793 2.060 -5.200 282 HD12 ILE 31 1HD1 ILE 31 5.906 3.202 -4.192 283 HD13 ILE 31 2HD1 ILE 31 7.259 3.761 -5.174 284 H MET 32 HN MET 32 5.391 7.229 -8.026 285 HA MET 32 HA MET 32 3.445 8.993 -6.917 286 HB2 MET 32 2HB MET 32 5.981 9.451 -8.465 287 HB3 MET 32 1HB MET 32 4.936 10.782 -7.983 288 HG2 MET 32 2HG MET 32 5.167 10.100 -5.640 289 HG3 MET 32 1HG MET 32 6.242 8.797 -6.137 290 HE1 MET 32 3HE MET 32 8.496 11.493 -4.290 291 HE2 MET 32 1HE MET 32 7.848 9.854 -4.214 292 HE3 MET 32 2HE MET 32 6.780 11.237 -3.971 293 H ASP 33 HN ASP 33 4.138 7.832 -10.133 294 HA ASP 33 HA ASP 33 2.470 9.644 -11.541 295 HB2 ASP 33 2HB ASP 33 4.079 8.275 -12.743 296 HB3 ASP 33 1HB ASP 33 3.287 6.801 -12.195 297 H MET 34 HN MET 34 1.908 6.717 -9.755 298 HA MET 34 HA MET 34 -0.796 6.329 -10.586 299 HB2 MET 34 2HB MET 34 0.763 5.274 -8.223 300 HB3 MET 34 1HB MET 34 -0.875 4.776 -8.608 301 HG2 MET 34 2HG MET 34 1.549 4.404 -10.352 302 HG3 MET 34 1HG MET 34 0.737 3.156 -9.407 303 HE1 MET 34 3HE MET 34 -1.663 2.202 -9.944 304 HE2 MET 34 1HE MET 34 -2.707 2.824 -11.221 305 HE3 MET 34 2HE MET 34 -2.330 3.828 -9.818 306 H GLY 35 HN GLY 35 0.651 8.607 -8.589 307 HA2 GLY 35 2HA GLY 35 -0.670 10.455 -7.822 308 HA3 GLY 35 1HA GLY 35 -1.998 9.341 -7.539 309 H ILE 36 HN ILE 36 0.620 7.757 -6.467 310 HA ILE 36 HA ILE 36 -0.031 8.386 -3.706 311 HB ILE 36 HB ILE 36 1.868 6.299 -4.772 312 HG12 ILE 36 2HG1 ILE 36 -0.991 5.952 -3.862 313 HG13 ILE 36 1HG1 ILE 36 -0.496 6.024 -5.547 314 HG21 ILE 36 1HG2 ILE 36 2.283 6.885 -2.447 315 HG22 ILE 36 2HG2 ILE 36 1.610 5.260 -2.572 316 HG23 ILE 36 3HG2 ILE 36 0.584 6.602 -2.062 317 HD11 ILE 36 3HD1 ILE 36 0.860 4.013 -5.225 318 HD12 ILE 36 1HD1 ILE 36 -0.838 3.735 -4.840 319 HD13 ILE 36 2HD1 ILE 36 0.338 3.942 -3.542 320 H VAL 37 HN VAL 37 1.207 9.519 -2.387 321 HA VAL 37 HA VAL 37 4.013 9.980 -3.018 322 HB VAL 37 HB VAL 37 3.604 12.500 -2.451 323 HG11 VAL 37 1HG1 VAL 37 4.502 11.654 -4.566 324 HG12 VAL 37 2HG1 VAL 37 3.407 13.009 -4.831 325 HG13 VAL 37 3HG1 VAL 37 2.863 11.362 -5.148 326 HG21 VAL 37 3HG2 VAL 37 1.474 13.360 -3.329 327 HG22 VAL 37 1HG2 VAL 37 1.226 12.309 -1.933 328 HG23 VAL 37 2HG2 VAL 37 0.904 11.707 -3.558 329 H ARG 38 HN ARG 38 1.773 11.635 -0.815 330 HA ARG 38 HA ARG 38 2.882 10.246 1.476 331 HB2 ARG 38 2HB ARG 38 4.487 12.016 1.316 332 HB3 ARG 38 1HB ARG 38 3.234 13.213 1.014 333 HG2 ARG 38 2HG ARG 38 2.381 12.857 3.295 334 HG3 ARG 38 1HG ARG 38 3.701 11.724 3.588 335 HD2 ARG 38 2HD ARG 38 5.322 13.417 3.475 336 HD3 ARG 38 1HD ARG 38 4.208 14.549 2.706 337 HE ARG 38 HE ARG 38 2.970 14.306 4.972 338 HH11 ARG 38 1HH1 ARG 38 6.449 14.416 4.531 339 HH12 ARG 38 2HH1 ARG 38 6.734 15.140 6.085 340 HH21 ARG 38 1HH2 ARG 38 3.357 15.221 7.012 341 HH22 ARG 38 2HH2 ARG 38 4.985 15.581 7.497 342 H GLY 39 HN GLY 39 1.440 10.155 3.165 343 HA2 GLY 39 2HA GLY 39 -0.513 10.476 4.345 344 HA3 GLY 39 1HA GLY 39 -0.639 12.048 3.569 345 H THR 40 HN THR 40 -0.358 9.339 1.522 346 HA THR 40 HA THR 40 -3.020 9.786 0.495 347 HB THR 40 HB THR 40 -1.180 7.644 -0.509 348 HG1 THR 40 1HG THR 40 -0.813 10.444 -0.634 349 HG21 THR 40 3HG2 THR 40 -3.406 7.919 -1.523 350 HG22 THR 40 1HG2 THR 40 -2.118 8.292 -2.669 351 HG23 THR 40 2HG2 THR 40 -3.018 9.598 -1.898 352 H GLU 41 HN GLU 41 -4.653 8.201 0.415 353 HA GLU 41 HA GLU 41 -4.523 6.280 2.585 354 HB2 GLU 41 2HB GLU 41 -6.810 7.171 0.833 355 HB3 GLU 41 1HB GLU 41 -6.944 6.029 2.151 356 HG2 GLU 41 2HG GLU 41 -6.177 7.776 3.710 357 HG3 GLU 41 1HG GLU 41 -6.172 8.920 2.367 358 H ILE 42 HN ILE 42 -4.233 4.218 2.326 359 HA ILE 42 HA ILE 42 -4.784 3.007 -0.302 360 HB ILE 42 HB ILE 42 -2.476 2.472 1.569 361 HG12 ILE 42 2HG1 ILE 42 -2.161 4.374 0.057 362 HG13 ILE 42 1HG1 ILE 42 -1.084 3.048 -0.365 363 HG21 ILE 42 1HG2 ILE 42 -1.783 0.701 0.012 364 HG22 ILE 42 2HG2 ILE 42 -3.281 0.921 -0.891 365 HG23 ILE 42 3HG2 ILE 42 -3.332 0.342 0.775 366 HD11 ILE 42 3HD1 ILE 42 -3.659 3.731 -1.768 367 HD12 ILE 42 1HD1 ILE 42 -2.553 2.426 -2.198 368 HD13 ILE 42 2HD1 ILE 42 -2.032 4.104 -2.342 369 H TYR 43 HN TYR 43 -6.463 1.675 -0.069 370 HA TYR 43 HA TYR 43 -6.801 0.267 2.494 371 HB2 TYR 43 2HB TYR 43 -8.684 1.731 1.633 372 HB3 TYR 43 1HB TYR 43 -8.857 0.597 0.299 373 HD1 TYR 43 2HD TYR 43 -9.696 -1.694 0.718 374 HD2 TYR 43 1HD TYR 43 -9.459 1.188 3.836 375 HE1 TYR 43 2HE TYR 43 -11.195 -3.073 2.098 376 HE2 TYR 43 1HE TYR 43 -10.956 -0.180 5.225 377 HH TYR 43 HH TYR 43 -11.713 -3.382 4.542 378 H ILE 44 HN ILE 44 -6.220 -1.785 2.532 379 HA ILE 44 HA ILE 44 -5.571 -3.161 0.070 380 HB ILE 44 HB ILE 44 -5.548 -4.377 2.829 381 HG12 ILE 44 2HG1 ILE 44 -4.318 -2.238 2.933 382 HG13 ILE 44 1HG1 ILE 44 -3.241 -3.618 3.110 383 HG21 ILE 44 1HG2 ILE 44 -3.907 -4.907 0.351 384 HG22 ILE 44 2HG2 ILE 44 -5.233 -5.901 0.954 385 HG23 ILE 44 3HG2 ILE 44 -3.748 -5.752 1.891 386 HD11 ILE 44 3HD1 ILE 44 -2.268 -1.892 1.709 387 HD12 ILE 44 1HD1 ILE 44 -3.639 -2.002 0.605 388 HD13 ILE 44 2HD1 ILE 44 -2.545 -3.372 0.791 389 H GLU 45 HN GLU 45 -7.462 -3.725 -1.025 390 HA GLU 45 HA GLU 45 -9.610 -4.958 0.455 391 HB2 GLU 45 2HB GLU 45 -10.792 -5.093 -1.633 392 HB3 GLU 45 1HB GLU 45 -10.092 -3.494 -1.474 393 HG2 GLU 45 2HG GLU 45 -8.445 -3.944 -3.090 394 HG3 GLU 45 1HG GLU 45 -8.770 -5.678 -3.050 395 H GLY 46 HN GLY 46 -6.832 -5.951 -1.316 396 HA2 GLY 46 2HA GLY 46 -6.570 -8.422 -0.270 397 HA3 GLY 46 1HA GLY 46 -7.710 -8.690 -1.583 398 H LYS 47 HN LYS 47 -5.748 -10.120 -2.074 399 HA LYS 47 HA LYS 47 -4.035 -8.632 -3.949 400 HB2 LYS 47 2HB LYS 47 -3.255 -11.071 -2.327 401 HB3 LYS 47 1HB LYS 47 -2.237 -10.242 -3.495 402 HG2 LYS 47 2HG LYS 47 -2.113 -8.295 -2.114 403 HG3 LYS 47 1HG LYS 47 -3.315 -8.950 -1.000 404 HD2 LYS 47 2HD LYS 47 -1.069 -9.182 -0.087 405 HD3 LYS 47 1HD LYS 47 -1.776 -10.765 -0.413 406 HE2 LYS 47 2HE LYS 47 -0.531 -10.846 -2.544 407 HE3 LYS 47 1HE LYS 47 0.218 -9.302 -2.137 408 HZ1 LYS 47 3HZ LYS 47 1.235 -10.314 -0.211 409 HZ2 LYS 47 1HZ LYS 47 1.637 -11.214 -1.593 410 HZ3 LYS 47 2HZ LYS 47 0.452 -11.787 -0.526 411 H ALA 48 HN ALA 48 -3.355 -9.928 -5.816 412 HA ALA 48 HA ALA 48 -5.417 -11.517 -6.914 413 HB1 ALA 48 1HB ALA 48 -2.530 -11.283 -7.758 414 HB2 ALA 48 2HB ALA 48 -3.858 -10.260 -8.306 415 HB3 ALA 48 3HB ALA 48 -3.836 -11.973 -8.725 416 HA PRO 49 HA PRO 49 -4.876 -15.540 -5.247 417 HB2 PRO 49 2HB PRO 49 -4.750 -17.016 -7.631 418 HB3 PRO 49 1HB PRO 49 -6.204 -16.623 -6.714 419 HG2 PRO 49 2HG PRO 49 -5.061 -15.295 -9.118 420 HG3 PRO 49 1HG PRO 49 -6.757 -15.529 -8.661 421 HD2 PRO 49 2HD PRO 49 -5.567 -13.146 -8.420 422 HD3 PRO 49 1HD PRO 49 -6.745 -13.715 -7.214 423 H MET 50 HN MET 50 -2.708 -14.612 -7.871 424 HA MET 50 HA MET 50 -0.746 -16.625 -7.292 425 HB2 MET 50 2HB MET 50 -0.935 -15.692 -9.531 426 HB3 MET 50 1HB MET 50 -0.597 -14.079 -8.920 427 HG2 MET 50 2HG MET 50 1.337 -15.028 -10.035 428 HG3 MET 50 1HG MET 50 1.658 -14.764 -8.321 429 HE1 MET 50 3HE MET 50 3.798 -17.919 -9.019 430 HE2 MET 50 1HE MET 50 3.765 -16.285 -8.357 431 HE3 MET 50 2HE MET 50 3.542 -16.539 -10.089 432 H GLY 51 HN GLY 51 -1.542 -13.608 -5.911 433 HA2 GLY 51 2HA GLY 51 -0.513 -12.775 -3.932 434 HA3 GLY 51 1HA GLY 51 0.977 -13.583 -4.395 435 H ASP 52 HN ASP 52 0.029 -12.400 -7.167 436 HA ASP 52 HA ASP 52 0.744 -9.613 -6.873 437 HB2 ASP 52 2HB ASP 52 2.956 -10.646 -7.018 438 HB3 ASP 52 1HB ASP 52 2.467 -11.549 -8.446 439 HA PRO 53 HA PRO 53 0.738 -7.925 -7.898 440 HB2 PRO 53 2HB PRO 53 -1.392 -6.226 -8.785 441 HB3 PRO 53 1HB PRO 53 0.282 -6.247 -9.335 442 HG2 PRO 53 2HG PRO 53 -1.882 -6.963 -10.883 443 HG3 PRO 53 1HG PRO 53 -0.216 -7.492 -11.176 444 HD2 PRO 53 2HD PRO 53 -2.463 -8.946 -9.835 445 HD3 PRO 53 1HD PRO 53 -1.225 -9.568 -10.951 446 H ILE 54 HN ILE 54 -0.507 -6.039 -6.614 447 HA ILE 54 HA ILE 54 -2.426 -7.401 -4.833 448 HB ILE 54 HB ILE 54 -0.681 -5.006 -4.205 449 HG12 ILE 54 2HG1 ILE 54 -0.310 -7.901 -3.398 450 HG13 ILE 54 1HG1 ILE 54 0.661 -7.052 -4.596 451 HG21 ILE 54 1HG2 ILE 54 -2.718 -5.108 -2.880 452 HG22 ILE 54 2HG2 ILE 54 -1.309 -5.459 -1.878 453 HG23 ILE 54 3HG2 ILE 54 -2.353 -6.773 -2.422 454 HD11 ILE 54 3HD1 ILE 54 1.809 -7.215 -2.458 455 HD12 ILE 54 1HD1 ILE 54 0.481 -6.363 -1.671 456 HD13 ILE 54 2HD1 ILE 54 1.472 -5.535 -2.873 457 H ALA 55 HN ALA 55 -4.366 -6.340 -4.311 458 HA ALA 55 HA ALA 55 -5.050 -4.173 -6.164 459 HB1 ALA 55 1HB ALA 55 -6.441 -6.187 -6.254 460 HB2 ALA 55 2HB ALA 55 -7.371 -4.774 -5.760 461 HB3 ALA 55 3HB ALA 55 -6.868 -5.964 -4.559 462 H LEU 56 HN LEU 56 -4.659 -2.238 -5.293 463 HA LEU 56 HA LEU 56 -5.403 -1.767 -2.487 464 HB2 LEU 56 2HB LEU 56 -3.791 0.059 -4.263 465 HB3 LEU 56 1HB LEU 56 -3.973 0.158 -2.529 466 HG LEU 56 HG LEU 56 -1.810 -0.629 -2.832 467 HD11 LEU 56 1HD1 LEU 56 -3.515 -3.070 -2.419 468 HD12 LEU 56 2HD1 LEU 56 -2.973 -1.943 -1.174 469 HD13 LEU 56 3HD1 LEU 56 -1.799 -2.943 -2.030 470 HD21 LEU 56 3HD2 LEU 56 -1.168 -2.435 -4.344 471 HD22 LEU 56 1HD2 LEU 56 -1.927 -1.100 -5.210 472 HD23 LEU 56 2HD2 LEU 56 -2.841 -2.573 -4.885 473 H ARG 57 HN ARG 57 -7.001 -0.378 -2.002 474 HA ARG 57 HA ARG 57 -8.481 0.853 -4.176 475 HB2 ARG 57 2HB ARG 57 -9.692 -0.285 -2.354 476 HB3 ARG 57 1HB ARG 57 -8.995 0.825 -1.192 477 HG2 ARG 57 2HG ARG 57 -10.674 1.847 -3.450 478 HG3 ARG 57 1HG ARG 57 -11.416 1.195 -1.988 479 HD2 ARG 57 2HD ARG 57 -9.957 2.806 -0.691 480 HD3 ARG 57 1HD ARG 57 -9.564 3.555 -2.236 481 HE ARG 57 HE ARG 57 -12.236 3.627 -2.275 482 HH11 ARG 57 1HH1 ARG 57 -9.918 4.479 0.189 483 HH12 ARG 57 2HH1 ARG 57 -10.924 5.685 0.938 484 HH21 ARG 57 1HH2 ARG 57 -13.598 5.220 -1.315 485 HH22 ARG 57 2HH2 ARG 57 -13.016 6.124 0.052 486 H LEU 58 HN LEU 58 -7.927 2.758 -4.905 487 HA LEU 58 HA LEU 58 -6.793 4.769 -3.088 488 HB2 LEU 58 2HB LEU 58 -4.897 3.695 -4.128 489 HB3 LEU 58 1HB LEU 58 -5.623 3.852 -5.711 490 HG LEU 58 HG LEU 58 -5.440 6.356 -5.433 491 HD11 LEU 58 1HD1 LEU 58 -5.219 6.447 -3.023 492 HD12 LEU 58 2HD1 LEU 58 -3.807 7.167 -3.796 493 HD13 LEU 58 3HD1 LEU 58 -3.706 5.546 -3.106 494 HD21 LEU 58 3HD2 LEU 58 -3.907 5.088 -6.826 495 HD22 LEU 58 1HD2 LEU 58 -2.898 4.737 -5.422 496 HD23 LEU 58 2HD2 LEU 58 -3.061 6.396 -5.999 497 H ARG 59 HN ARG 59 -7.164 6.881 -3.691 498 HA ARG 59 HA ARG 59 -8.202 8.674 -4.637 499 HB2 ARG 59 2HB ARG 59 -7.687 6.977 -6.873 500 HB3 ARG 59 1HB ARG 59 -9.292 7.662 -7.068 501 HG2 ARG 59 2HG ARG 59 -7.660 9.044 -8.171 502 HG3 ARG 59 1HG ARG 59 -8.341 9.910 -6.794 503 HD2 ARG 59 2HD ARG 59 -6.386 9.485 -5.477 504 HD3 ARG 59 1HD ARG 59 -5.734 8.402 -6.707 505 HE ARG 59 HE ARG 59 -5.845 10.580 -8.138 506 HH11 ARG 59 1HH1 ARG 59 -4.980 10.379 -4.739 507 HH12 ARG 59 2HH1 ARG 59 -3.885 11.730 -4.813 508 HH21 ARG 59 1HH2 ARG 59 -4.424 12.367 -8.211 509 HH22 ARG 59 2HH2 ARG 59 -3.585 12.862 -6.776 510 H GLY 60 HN GLY 60 -9.989 5.740 -5.538 511 HA2 GLY 60 2HA GLY 60 -12.192 6.420 -3.832 512 HA3 GLY 60 1HA GLY 60 -12.563 6.662 -5.535 513 H TYR 61 HN TYR 61 -10.938 4.518 -6.502 514 HA TYR 61 HA TYR 61 -12.406 2.196 -5.458 515 HB2 TYR 61 2HB TYR 61 -12.519 1.322 -7.775 516 HB3 TYR 61 1HB TYR 61 -13.422 2.812 -7.564 517 HD1 TYR 61 1HD TYR 61 -12.381 4.981 -8.407 518 HD2 TYR 61 2HD TYR 61 -10.823 1.145 -9.393 519 HE1 TYR 61 1HE TYR 61 -11.173 5.962 -10.309 520 HE2 TYR 61 2HE TYR 61 -9.613 2.120 -11.296 521 HH TYR 61 HH TYR 61 -9.306 5.512 -11.752 522 H SER 62 HN SER 62 -11.327 0.124 -6.519 523 HA SER 62 HA SER 62 -8.601 0.238 -5.561 524 HB2 SER 62 2HB SER 62 -10.076 -2.242 -6.370 525 HB3 SER 62 1HB SER 62 -8.840 -2.029 -5.139 526 HG SER 62 HG SER 62 -10.970 -2.252 -4.264 527 H LEU 63 HN LEU 63 -6.830 -0.248 -6.693 528 HA LEU 63 HA LEU 63 -7.068 -1.321 -9.411 529 HB2 LEU 63 2HB LEU 63 -5.485 1.109 -8.581 530 HB3 LEU 63 1HB LEU 63 -5.142 0.214 -10.047 531 HG LEU 63 HG LEU 63 -7.771 1.576 -9.444 532 HD11 LEU 63 1HD1 LEU 63 -7.080 3.217 -11.114 533 HD12 LEU 63 2HD1 LEU 63 -5.517 2.414 -11.266 534 HD13 LEU 63 3HD1 LEU 63 -5.964 3.192 -9.748 535 HD21 LEU 63 3HD2 LEU 63 -6.727 0.307 -11.977 536 HD22 LEU 63 1HD2 LEU 63 -8.274 1.135 -11.786 537 HD23 LEU 63 2HD2 LEU 63 -7.967 -0.372 -10.922 538 H SER 64 HN SER 64 -5.256 -2.578 -10.049 539 HA SER 64 HA SER 64 -3.858 -3.682 -7.774 540 HB2 SER 64 2HB SER 64 -3.097 -5.342 -9.587 541 HB3 SER 64 1HB SER 64 -4.788 -5.350 -9.113 542 HG SER 64 HG SER 64 -5.209 -4.048 -10.976 543 H LEU 65 HN LEU 65 -1.834 -3.333 -7.270 544 HA LEU 65 HA LEU 65 -0.019 -2.179 -9.289 545 HB2 LEU 65 2HB LEU 65 -0.775 -0.681 -7.331 546 HB3 LEU 65 1HB LEU 65 0.207 -1.722 -6.319 547 HG LEU 65 HG LEU 65 2.198 -1.117 -7.632 548 HD11 LEU 65 1HD1 LEU 65 0.321 0.763 -9.064 549 HD12 LEU 65 2HD1 LEU 65 1.128 -0.639 -9.766 550 HD13 LEU 65 3HD1 LEU 65 2.077 0.744 -9.222 551 HD21 LEU 65 3HD2 LEU 65 1.622 0.137 -5.617 552 HD22 LEU 65 1HD2 LEU 65 0.650 1.250 -6.582 553 HD23 LEU 65 2HD2 LEU 65 2.397 1.171 -6.817 554 H ARG 66 HN ARG 66 2.346 -2.791 -8.811 555 HA ARG 66 HA ARG 66 2.218 -5.677 -8.613 556 HB2 ARG 66 2HB ARG 66 4.442 -3.796 -9.376 557 HB3 ARG 66 1HB ARG 66 4.647 -5.539 -9.286 558 HG2 ARG 66 2HG ARG 66 2.652 -4.144 -11.058 559 HG3 ARG 66 1HG ARG 66 4.250 -4.692 -11.572 560 HD2 ARG 66 2HD ARG 66 3.570 -6.999 -10.807 561 HD3 ARG 66 1HD ARG 66 1.931 -6.368 -10.632 562 HE ARG 66 HE ARG 66 2.276 -5.704 -13.105 563 HH11 ARG 66 1HH1 ARG 66 3.372 -8.661 -11.560 564 HH12 ARG 66 2HH1 ARG 66 3.568 -9.524 -13.058 565 HH21 ARG 66 1HH2 ARG 66 2.481 -6.838 -15.068 566 HH22 ARG 66 2HH2 ARG 66 3.040 -8.488 -15.064 567 H LYS 67 HN LYS 67 3.589 -6.971 -7.408 568 HA LYS 67 HA LYS 67 3.959 -6.400 -4.710 569 HB2 LYS 67 2HB LYS 67 3.888 -8.650 -5.544 570 HB3 LYS 67 1HB LYS 67 5.314 -8.382 -6.532 571 HG2 LYS 67 2HG LYS 67 6.656 -8.129 -4.491 572 HG3 LYS 67 1HG LYS 67 5.217 -8.457 -3.525 573 HD2 LYS 67 2HD LYS 67 6.598 -10.455 -3.764 574 HD3 LYS 67 1HD LYS 67 5.031 -10.671 -4.540 575 HE2 LYS 67 2HE LYS 67 7.432 -9.770 -6.102 576 HE3 LYS 67 1HE LYS 67 7.143 -11.473 -5.773 577 HZ1 LYS 67 3HZ LYS 67 5.074 -11.377 -6.933 578 HZ2 LYS 67 1HZ LYS 67 6.256 -10.702 -7.942 579 HZ3 LYS 67 2HZ LYS 67 5.179 -9.696 -7.115 580 H SER 68 HN SER 68 5.993 -5.732 -7.451 581 HA SER 68 HA SER 68 8.427 -5.252 -6.153 582 HB2 SER 68 2HB SER 68 7.338 -3.875 -8.621 583 HB3 SER 68 1HB SER 68 9.034 -3.996 -8.152 584 HG SER 68 HG SER 68 8.703 -5.608 -9.608 585 H GLU 69 HN GLU 69 5.837 -2.996 -7.078 586 HA GLU 69 HA GLU 69 6.953 -0.709 -5.889 587 HB2 GLU 69 2HB GLU 69 4.081 -1.392 -6.530 588 HB3 GLU 69 1HB GLU 69 4.603 0.194 -5.994 589 HG2 GLU 69 2HG GLU 69 4.532 0.479 -8.262 590 HG3 GLU 69 1HG GLU 69 6.222 0.043 -8.024 591 H ALA 70 HN ALA 70 5.023 -3.306 -4.588 592 HA ALA 70 HA ALA 70 4.115 -2.116 -2.226 593 HB1 ALA 70 1HB ALA 70 4.844 -5.011 -2.643 594 HB2 ALA 70 2HB ALA 70 3.306 -4.274 -3.091 595 HB3 ALA 70 3HB ALA 70 3.779 -4.363 -1.396 596 H LYS 71 HN LYS 71 7.265 -3.162 -3.119 597 HA LYS 71 HA LYS 71 8.309 -3.402 -0.447 598 HB2 LYS 71 2HB LYS 71 9.191 -4.428 -2.672 599 HB3 LYS 71 1HB LYS 71 9.927 -2.859 -2.934 600 HG2 LYS 71 2HG LYS 71 10.476 -4.648 -0.572 601 HG3 LYS 71 1HG LYS 71 11.470 -4.547 -2.020 602 HD2 LYS 71 2HD LYS 71 10.972 -2.374 0.009 603 HD3 LYS 71 1HD LYS 71 12.478 -3.238 -0.274 604 HE2 LYS 71 2HE LYS 71 11.112 -1.295 -2.127 605 HE3 LYS 71 1HE LYS 71 12.626 -1.052 -1.263 606 HZ1 LYS 71 3HZ LYS 71 13.440 -3.053 -2.600 607 HZ2 LYS 71 1HZ LYS 71 13.250 -1.580 -3.421 608 HZ3 LYS 71 2HZ LYS 71 12.085 -2.795 -3.586 609 H ASP 72 HN ASP 72 8.153 -0.939 -2.952 610 HA ASP 72 HA ASP 72 9.967 0.819 -1.537 611 HB2 ASP 72 2HB ASP 72 8.603 0.960 -4.219 612 HB3 ASP 72 1HB ASP 72 9.560 2.285 -3.575 613 H ILE 73 HN ILE 73 6.635 0.303 -1.618 614 HA ILE 73 HA ILE 73 5.974 3.030 -0.829 615 HB ILE 73 HB ILE 73 4.210 0.569 -0.953 616 HG12 ILE 73 2HG1 ILE 73 4.383 2.948 -2.815 617 HG13 ILE 73 1HG1 ILE 73 5.027 1.347 -3.162 618 HG21 ILE 73 1HG2 ILE 73 3.377 2.161 0.672 619 HG22 ILE 73 2HG2 ILE 73 2.345 2.167 -0.758 620 HG23 ILE 73 3HG2 ILE 73 3.509 3.467 -0.504 621 HD11 ILE 73 3HD1 ILE 73 2.904 1.710 -4.280 622 HD12 ILE 73 1HD1 ILE 73 2.124 2.024 -2.729 623 HD13 ILE 73 2HD1 ILE 73 2.773 0.422 -3.083 624 H LEU 74 HN LEU 74 6.423 3.623 1.200 625 HA LEU 74 HA LEU 74 6.441 1.596 3.310 626 HB2 LEU 74 2HB LEU 74 7.402 4.461 3.305 627 HB3 LEU 74 1HB LEU 74 7.517 3.368 4.667 628 HG LEU 74 HG LEU 74 8.911 3.022 2.015 629 HD11 LEU 74 1HD1 LEU 74 9.844 4.836 3.344 630 HD12 LEU 74 2HD1 LEU 74 10.948 3.462 3.286 631 HD13 LEU 74 3HD1 LEU 74 9.984 3.759 4.733 632 HD21 LEU 74 3HD2 LEU 74 10.067 1.164 3.101 633 HD22 LEU 74 1HD2 LEU 74 8.329 0.877 3.016 634 HD23 LEU 74 2HD2 LEU 74 9.068 1.378 4.538 635 H VAL 75 HN VAL 75 4.617 1.314 4.344 636 HA VAL 75 HA VAL 75 2.973 3.646 5.062 637 HB VAL 75 HB VAL 75 0.931 2.274 4.704 638 HG11 VAL 75 1HG1 VAL 75 1.600 3.871 3.003 639 HG12 VAL 75 2HG1 VAL 75 0.889 2.441 2.256 640 HG13 VAL 75 3HG1 VAL 75 2.639 2.662 2.251 641 HG21 VAL 75 3HG2 VAL 75 1.061 0.247 3.342 642 HG22 VAL 75 1HG2 VAL 75 1.951 0.064 4.853 643 HG23 VAL 75 2HG2 VAL 75 2.820 0.355 3.346 644 H GLU 76 HN GLU 76 1.431 3.090 6.856 645 HA GLU 76 HA GLU 76 2.233 0.747 8.399 646 HB2 GLU 76 2HB GLU 76 3.469 2.834 9.230 647 HB3 GLU 76 1HB GLU 76 1.900 3.418 9.768 648 HG2 GLU 76 2HG GLU 76 1.651 1.609 11.286 649 HG3 GLU 76 1HG GLU 76 3.050 0.773 10.619 650 H VAL 77 HN VAL 77 0.609 -0.071 9.724 651 HA VAL 77 HA VAL 77 -2.001 0.306 8.680 652 HB VAL 77 HB VAL 77 -1.190 -1.178 11.187 653 HG11 VAL 77 1HG1 VAL 77 -3.260 -2.448 10.838 654 HG12 VAL 77 2HG1 VAL 77 -3.655 -1.419 9.462 655 HG13 VAL 77 3HG1 VAL 77 -3.586 -0.731 11.085 656 HG21 VAL 77 3HG2 VAL 77 -1.121 -3.176 9.800 657 HG22 VAL 77 1HG2 VAL 77 0.029 -1.975 9.215 658 HG23 VAL 77 2HG2 VAL 77 -1.501 -2.216 8.370 659 H LEU 78 HN LEU 78 -2.970 2.198 9.040 660 HA LEU 78 HA LEU 78 -2.919 3.310 11.746 661 HB2 LEU 78 2HB LEU 78 -3.539 4.525 9.072 662 HB3 LEU 78 1HB LEU 78 -3.912 5.333 10.579 663 HG LEU 78 HG LEU 78 -1.182 4.579 9.545 664 HD11 LEU 78 1HD1 LEU 78 -2.416 7.252 10.189 665 HD12 LEU 78 2HD1 LEU 78 -2.154 6.597 8.573 666 HD13 LEU 78 3HD1 LEU 78 -0.775 6.975 9.605 667 HD21 LEU 78 3HD2 LEU 78 -0.277 5.562 11.584 668 HD22 LEU 78 1HD2 LEU 78 -1.289 4.165 11.950 669 HD23 LEU 78 2HD2 LEU 78 -1.910 5.795 12.208 670 H LEU 79 HN LEU 79 -4.794 1.310 10.022 671 HA LEU 79 HA LEU 79 -7.391 2.058 10.692 672 HB2 LEU 79 2HB LEU 79 -6.509 -0.020 9.388 673 HB3 LEU 79 1HB LEU 79 -6.404 -0.772 10.966 674 HG LEU 79 HG LEU 79 -8.957 0.371 9.833 675 HD11 LEU 79 1HD1 LEU 79 -7.983 -2.481 9.835 676 HD12 LEU 79 2HD1 LEU 79 -8.177 -1.448 8.419 677 HD13 LEU 79 3HD1 LEU 79 -9.591 -1.942 9.350 678 HD21 LEU 79 3HD2 LEU 79 -8.918 0.187 12.270 679 HD22 LEU 79 1HD2 LEU 79 -8.457 -1.511 12.137 680 HD23 LEU 79 2HD2 LEU 79 -10.036 -0.976 11.559 681 H GLU 80 HN GLU 80 -8.117 2.632 12.632 682 HA GLU 80 HA GLU 80 -6.702 3.075 14.814 683 HB2 GLU 80 2HB GLU 80 -9.597 2.275 14.739 684 HB3 GLU 80 1HB GLU 80 -8.814 2.912 16.178 685 HG2 GLU 80 2HG GLU 80 -9.740 4.813 15.310 686 HG3 GLU 80 1HG GLU 80 -8.131 4.868 14.594 687 H HIS 81 HN HIS 81 -5.215 1.664 15.429 688 HA HIS 81 HA HIS 81 -6.178 -0.586 17.045 689 HB2 HIS 81 2HB HIS 81 -5.073 -1.358 14.909 690 HB3 HIS 81 1HB HIS 81 -3.593 -0.586 15.462 691 HD1 HIS 81 1HD HIS 81 -5.951 -3.386 16.392 692 HD2 HIS 81 2HD HIS 81 -2.071 -2.105 17.179 693 HE1 HIS 81 1HE HIS 81 -4.855 -5.267 17.660 694 HE2 HIS 81 2HE HIS 81 -2.549 -4.426 18.230 695 H HIS 82 HN HIS 82 -6.158 0.970 18.725 696 HA HIS 82 HA HIS 82 -3.892 2.546 19.355 697 HB2 HIS 82 2HB HIS 82 -6.302 2.952 20.057 698 HB3 HIS 82 1HB HIS 82 -6.070 1.699 21.269 699 HD1 HIS 82 1HD HIS 82 -4.994 5.198 20.393 700 HD2 HIS 82 2HD HIS 82 -4.663 2.471 23.521 701 HE1 HIS 82 1HE HIS 82 -4.094 6.502 22.342 702 HE2 HIS 82 2HE HIS 82 -4.129 4.889 24.275 703 H HIS 83 HN HIS 83 -2.119 2.103 20.514 704 HA HIS 83 HA HIS 83 -0.538 0.937 21.656 705 HB2 HIS 83 2HB HIS 83 -2.199 0.694 23.448 706 HB3 HIS 83 1HB HIS 83 -2.877 -0.717 22.651 707 HD1 HIS 83 1HD HIS 83 -2.256 -2.733 23.857 708 HD2 HIS 83 2HD HIS 83 0.815 0.063 23.914 709 HE1 HIS 83 1HE HIS 83 -0.417 -3.785 25.203 710 HE2 HIS 83 2HE HIS 83 1.507 -2.170 25.037 711 H HIS 84 HN HIS 84 0.645 0.122 20.062 712 HA HIS 84 HA HIS 84 -0.220 -1.339 17.913 713 HB2 HIS 84 2HB HIS 84 1.885 -0.114 17.950 714 HB3 HIS 84 1HB HIS 84 2.562 -1.277 19.082 715 HD1 HIS 84 1HD HIS 84 4.034 -2.919 18.004 716 HD2 HIS 84 2HD HIS 84 1.046 -1.605 15.420 717 HE1 HIS 84 1HE HIS 84 4.467 -4.084 15.813 718 HE2 HIS 84 2HE HIS 84 2.743 -3.159 14.226 719 H HIS 85 HN HIS 85 1.590 -2.742 20.676 720 HA HIS 85 HA HIS 85 0.340 -5.317 19.987 721 HB2 HIS 85 2HB HIS 85 2.690 -5.229 19.138 722 HB3 HIS 85 1HB HIS 85 3.239 -4.983 20.792 723 HD1 HIS 85 1HD HIS 85 2.968 -7.031 22.440 724 HD2 HIS 85 2HD HIS 85 2.089 -7.842 18.456 725 HE1 HIS 85 1HE HIS 85 2.964 -9.534 22.244 726 HE2 HIS 85 2HE HIS 85 2.581 -9.999 19.795 727 H HIS 86 HN HIS 86 -0.391 -6.463 21.669 728 HA HIS 86 HA HIS 86 -0.717 -5.400 24.214 729 HB2 HIS 86 2HB HIS 86 -2.085 -7.251 23.350 730 HB3 HIS 86 1HB HIS 86 -0.686 -8.318 23.391 731 HD1 HIS 86 1HD HIS 86 -0.051 -9.354 25.637 732 HD2 HIS 86 2HD HIS 86 -3.176 -6.620 25.902 733 HE1 HIS 86 1HE HIS 86 -0.981 -9.606 27.958 734 HE2 HIS 86 2HE HIS 86 -2.708 -7.782 28.165 Start of MODEL 7 1 H1 MET 1 H1 MET 1 9.550 4.982 17.309 2 H2 MET 1 H2 MET 1 9.043 6.442 18.011 3 H3 MET 1 H3 MET 1 10.348 6.431 16.925 4 HA MET 1 HA MET 1 7.525 5.788 16.288 5 HB2 MET 1 2HB MET 1 7.526 7.840 14.991 6 HB3 MET 1 1HB MET 1 7.957 8.195 16.658 7 HG2 MET 1 2HG MET 1 10.302 8.336 16.037 8 HG3 MET 1 1HG MET 1 9.897 7.929 14.371 9 HE1 MET 1 2HE MET 1 9.651 10.606 17.216 10 HE2 MET 1 3HE MET 1 7.952 10.274 16.878 11 HE3 MET 1 1HE MET 1 8.644 11.844 16.470 12 H THR 2 HN THR 2 10.714 5.059 15.611 13 HA THR 2 HA THR 2 10.522 5.025 12.746 14 HB THR 2 HB THR 2 12.745 3.649 13.106 15 HG1 THR 2 1HG THR 2 13.665 3.957 15.102 16 HG21 THR 2 3HG2 THR 2 12.622 5.896 12.144 17 HG22 THR 2 1HG2 THR 2 13.976 5.772 13.268 18 HG23 THR 2 2HG2 THR 2 12.493 6.590 13.761 19 H LYS 3 HN LYS 3 8.574 3.712 12.750 20 HA LYS 3 HA LYS 3 9.303 0.919 12.341 21 HB2 LYS 3 2HB LYS 3 7.203 1.903 14.222 22 HB3 LYS 3 1HB LYS 3 6.866 0.451 13.290 23 HG2 LYS 3 2HG LYS 3 9.259 0.836 15.074 24 HG3 LYS 3 1HG LYS 3 7.782 -0.016 15.529 25 HD2 LYS 3 2HD LYS 3 8.155 -1.599 13.674 26 HD3 LYS 3 1HD LYS 3 9.659 -0.763 13.287 27 HE2 LYS 3 2HE LYS 3 10.568 -1.345 15.463 28 HE3 LYS 3 1HE LYS 3 9.047 -2.114 15.914 29 HZ1 LYS 3 3HZ LYS 3 10.838 -2.976 13.702 30 HZ2 LYS 3 1HZ LYS 3 9.371 -3.714 14.125 31 HZ3 LYS 3 2HZ LYS 3 10.679 -3.747 15.203 32 H GLY 4 HN GLY 4 9.163 1.066 10.186 33 HA2 GLY 4 2HA GLY 4 6.462 1.532 9.107 34 HA3 GLY 4 1HA GLY 4 7.857 2.288 8.346 35 H ILE 5 HN ILE 5 5.795 -0.156 7.972 36 HA ILE 5 HA ILE 5 7.828 -2.016 6.941 37 HB ILE 5 HB ILE 5 6.052 -3.732 6.927 38 HG12 ILE 5 2HG1 ILE 5 4.407 -1.634 8.363 39 HG13 ILE 5 1HG1 ILE 5 4.124 -2.200 6.721 40 HG21 ILE 5 1HG2 ILE 5 5.972 -4.088 9.341 41 HG22 ILE 5 2HG2 ILE 5 6.470 -2.417 9.608 42 HG23 ILE 5 3HG2 ILE 5 7.571 -3.552 8.825 43 HD11 ILE 5 3HD1 ILE 5 3.948 -3.878 9.212 44 HD12 ILE 5 1HD1 ILE 5 3.640 -4.431 7.567 45 HD13 ILE 5 2HD1 ILE 5 2.586 -3.222 8.302 46 H GLY 6 HN GLY 6 7.226 -3.162 4.929 47 HA2 GLY 6 2HA GLY 6 6.482 -1.270 2.926 48 HA3 GLY 6 1HA GLY 6 6.822 -2.976 2.675 49 H LEU 7 HN LEU 7 4.785 -1.522 1.395 50 HA LEU 7 HA LEU 7 2.251 -1.780 2.560 51 HB2 LEU 7 2HB LEU 7 2.786 -0.393 0.595 52 HB3 LEU 7 1HB LEU 7 3.023 -1.844 -0.358 53 HG LEU 7 HG LEU 7 0.632 -2.415 -0.036 54 HD11 LEU 7 1HD1 LEU 7 -0.890 -0.714 0.847 55 HD12 LEU 7 2HD1 LEU 7 0.492 0.296 1.274 56 HD13 LEU 7 3HD1 LEU 7 0.257 -1.257 2.073 57 HD21 LEU 7 3HD2 LEU 7 1.327 -1.253 -2.042 58 HD22 LEU 7 1HD2 LEU 7 1.206 0.301 -1.216 59 HD23 LEU 7 2HD2 LEU 7 -0.247 -0.653 -1.518 60 H ASN 8 HN ASN 8 4.328 -4.140 1.120 61 HA ASN 8 HA ASN 8 2.175 -6.027 0.656 62 HB2 ASN 8 2HB ASN 8 3.777 -7.432 -0.357 63 HB3 ASN 8 1HB ASN 8 4.238 -5.804 -0.827 64 HD21 ASN 8 1HD2 ASN 8 6.145 -4.920 -0.007 65 HD22 ASN 8 2HD2 ASN 8 7.349 -5.890 0.778 66 H GLU 9 HN GLU 9 3.921 -5.046 3.314 67 HA GLU 9 HA GLU 9 4.035 -7.681 4.567 68 HB2 GLU 9 2HB GLU 9 5.015 -4.971 5.480 69 HB3 GLU 9 1HB GLU 9 5.183 -6.448 6.402 70 HG2 GLU 9 2HG GLU 9 6.571 -7.395 4.654 71 HG3 GLU 9 1HG GLU 9 6.383 -5.926 3.698 72 H VAL 10 HN VAL 10 1.749 -5.430 4.095 73 HA VAL 10 HA VAL 10 0.744 -5.240 6.821 74 HB VAL 10 HB VAL 10 -0.543 -4.146 4.317 75 HG11 VAL 10 1HG1 VAL 10 -0.736 -3.307 7.208 76 HG12 VAL 10 2HG1 VAL 10 -1.970 -4.171 6.291 77 HG13 VAL 10 3HG1 VAL 10 -1.540 -2.519 5.848 78 HG21 VAL 10 3HG2 VAL 10 0.616 -2.044 4.751 79 HG22 VAL 10 1HG2 VAL 10 1.760 -3.348 4.435 80 HG23 VAL 10 2HG2 VAL 10 1.489 -2.795 6.087 81 H GLU 11 HN GLU 11 -1.571 -5.706 7.229 82 HA GLU 11 HA GLU 11 -2.300 -8.298 6.179 83 HB2 GLU 11 2HB GLU 11 -2.476 -7.607 8.612 84 HB3 GLU 11 1HB GLU 11 -3.838 -6.604 8.152 85 HG2 GLU 11 2HG GLU 11 -5.032 -8.586 7.381 86 HG3 GLU 11 1HG GLU 11 -3.657 -9.593 7.835 87 H ILE 12 HN ILE 12 -4.632 -8.651 5.597 88 HA ILE 12 HA ILE 12 -5.285 -6.769 3.485 89 HB ILE 12 HB ILE 12 -7.001 -8.470 2.842 90 HG12 ILE 12 2HG1 ILE 12 -5.698 -10.075 5.056 91 HG13 ILE 12 1HG1 ILE 12 -7.355 -9.481 5.049 92 HG21 ILE 12 1HG2 ILE 12 -4.165 -9.464 3.093 93 HG22 ILE 12 2HG2 ILE 12 -4.786 -8.408 1.823 94 HG23 ILE 12 3HG2 ILE 12 -5.377 -10.065 1.958 95 HD11 ILE 12 3HD1 ILE 12 -6.185 -11.523 3.173 96 HD12 ILE 12 1HD1 ILE 12 -7.838 -10.904 3.110 97 HD13 ILE 12 2HD1 ILE 12 -7.293 -11.831 4.509 98 H LYS 13 HN LYS 13 -7.597 -6.176 3.115 99 HA LYS 13 HA LYS 13 -9.447 -5.031 3.750 100 HB2 LYS 13 2HB LYS 13 -9.381 -7.033 6.007 101 HB3 LYS 13 1HB LYS 13 -10.710 -5.917 5.734 102 HG2 LYS 13 2HG LYS 13 -11.061 -6.916 3.510 103 HG3 LYS 13 1HG LYS 13 -9.769 -8.068 3.848 104 HD2 LYS 13 2HD LYS 13 -12.309 -7.770 5.453 105 HD3 LYS 13 1HD LYS 13 -12.004 -9.022 4.247 106 HE2 LYS 13 2HE LYS 13 -10.419 -8.587 6.779 107 HE3 LYS 13 1HE LYS 13 -11.640 -9.836 6.535 108 HZ1 LYS 13 3HZ LYS 13 -10.268 -10.732 4.728 109 HZ2 LYS 13 1HZ LYS 13 -9.450 -10.750 6.217 110 HZ3 LYS 13 2HZ LYS 13 -9.081 -9.574 5.059 111 H SER 14 HN SER 14 -6.774 -4.212 4.734 112 HA SER 14 HA SER 14 -7.591 -2.696 7.115 113 HB2 SER 14 2HB SER 14 -4.813 -3.346 6.095 114 HB3 SER 14 1HB SER 14 -5.167 -2.380 7.528 115 HG SER 14 HG SER 14 -6.227 -4.977 7.257 116 H LYS 15 HN LYS 15 -6.839 -0.464 7.241 117 HA LYS 15 HA LYS 15 -6.611 0.812 4.595 118 HB2 LYS 15 2HB LYS 15 -8.744 1.200 5.874 119 HB3 LYS 15 1HB LYS 15 -7.797 1.999 7.115 120 HG2 LYS 15 2HG LYS 15 -7.336 3.826 5.762 121 HG3 LYS 15 1HG LYS 15 -7.703 2.941 4.276 122 HD2 LYS 15 2HD LYS 15 -10.059 2.858 4.889 123 HD3 LYS 15 1HD LYS 15 -9.713 3.690 6.402 124 HE2 LYS 15 2HE LYS 15 -9.042 4.926 3.754 125 HE3 LYS 15 1HE LYS 15 -10.665 5.042 4.430 126 HZ1 LYS 15 3HZ LYS 15 -9.485 5.932 6.499 127 HZ2 LYS 15 1HZ LYS 15 -9.608 6.955 5.151 128 HZ3 LYS 15 2HZ LYS 15 -8.145 6.172 5.482 129 H VAL 16 HN VAL 16 -4.728 1.811 4.257 130 HA VAL 16 HA VAL 16 -3.039 2.373 6.611 131 HB VAL 16 HB VAL 16 -1.084 1.576 5.332 132 HG11 VAL 16 1HG1 VAL 16 -1.555 -0.818 5.512 133 HG12 VAL 16 2HG1 VAL 16 -3.280 -0.468 5.623 134 HG13 VAL 16 3HG1 VAL 16 -2.185 0.074 6.896 135 HG21 VAL 16 3HG2 VAL 16 -1.935 1.917 3.070 136 HG22 VAL 16 1HG2 VAL 16 -3.127 0.640 3.316 137 HG23 VAL 16 2HG2 VAL 16 -1.408 0.249 3.293 138 H LYS 17 HN LYS 17 -1.388 3.914 6.339 139 HA LYS 17 HA LYS 17 -1.887 5.833 4.156 140 HB2 LYS 17 2HB LYS 17 -2.559 6.705 6.315 141 HB3 LYS 17 1HB LYS 17 -0.993 6.323 6.992 142 HG2 LYS 17 2HG LYS 17 0.048 7.987 5.574 143 HG3 LYS 17 1HG LYS 17 -1.505 8.323 4.804 144 HD2 LYS 17 2HD LYS 17 -0.891 8.712 7.735 145 HD3 LYS 17 1HD LYS 17 -0.926 9.993 6.523 146 HE2 LYS 17 2HE LYS 17 -3.277 8.207 7.112 147 HE3 LYS 17 1HE LYS 17 -3.014 9.751 7.921 148 HZ1 LYS 17 3HZ LYS 17 -3.088 9.576 4.974 149 HZ2 LYS 17 1HZ LYS 17 -3.356 10.921 5.966 150 HZ3 LYS 17 2HZ LYS 17 -4.524 9.694 5.871 151 H VAL 18 HN VAL 18 -0.151 6.732 3.143 152 HA VAL 18 HA VAL 18 2.236 5.102 3.202 153 HB VAL 18 HB VAL 18 1.519 7.425 1.398 154 HG11 VAL 18 1HG1 VAL 18 3.933 7.110 1.540 155 HG12 VAL 18 2HG1 VAL 18 3.332 6.599 -0.037 156 HG13 VAL 18 3HG1 VAL 18 3.745 5.394 1.183 157 HG21 VAL 18 3HG2 VAL 18 1.056 5.698 -0.277 158 HG22 VAL 18 1HG2 VAL 18 0.003 5.538 1.128 159 HG23 VAL 18 2HG2 VAL 18 1.376 4.448 0.926 160 H ILE 19 HN ILE 19 3.327 5.590 5.020 161 HA ILE 19 HA ILE 19 4.044 8.086 6.017 162 HB ILE 19 HB ILE 19 5.818 5.646 6.015 163 HG12 ILE 19 2HG1 ILE 19 3.626 6.401 7.960 164 HG13 ILE 19 1HG1 ILE 19 3.568 5.064 6.818 165 HG21 ILE 19 1HG2 ILE 19 6.687 6.594 8.104 166 HG22 ILE 19 2HG2 ILE 19 5.630 7.990 7.905 167 HG23 ILE 19 3HG2 ILE 19 6.922 7.689 6.742 168 HD11 ILE 19 3HD1 ILE 19 5.466 5.346 9.133 169 HD12 ILE 19 1HD1 ILE 19 5.469 4.025 7.964 170 HD13 ILE 19 2HD1 ILE 19 4.083 4.257 9.030 171 H GLY 20 HN GLY 20 5.864 5.990 3.769 172 HA2 GLY 20 2HA GLY 20 6.895 8.312 2.401 173 HA3 GLY 20 1HA GLY 20 8.103 7.452 3.337 174 H ILE 21 HN ILE 21 8.420 7.761 0.713 175 HA ILE 21 HA ILE 21 7.908 5.102 -0.442 176 HB ILE 21 HB ILE 21 8.185 7.751 -1.881 177 HG12 ILE 21 2HG1 ILE 21 5.774 5.965 -1.489 178 HG13 ILE 21 1HG1 ILE 21 6.028 7.544 -0.752 179 HG21 ILE 21 1HG2 ILE 21 7.578 5.022 -3.016 180 HG22 ILE 21 2HG2 ILE 21 9.108 5.884 -3.180 181 HG23 ILE 21 3HG2 ILE 21 7.645 6.534 -3.921 182 HD11 ILE 21 3HD1 ILE 21 5.941 8.593 -2.945 183 HD12 ILE 21 1HD1 ILE 21 4.480 7.658 -2.627 184 HD13 ILE 21 2HD1 ILE 21 5.723 7.014 -3.699 185 H VAL 22 HN VAL 22 9.650 4.351 -1.877 186 HA VAL 22 HA VAL 22 12.273 5.222 -0.895 187 HB VAL 22 HB VAL 22 11.540 2.707 -2.407 188 HG11 VAL 22 1HG1 VAL 22 13.849 3.353 -2.770 189 HG12 VAL 22 2HG1 VAL 22 13.765 1.923 -1.742 190 HG13 VAL 22 3HG1 VAL 22 14.100 3.502 -1.032 191 HG21 VAL 22 3HG2 VAL 22 11.805 1.549 -0.281 192 HG22 VAL 22 1HG2 VAL 22 10.535 2.767 -0.176 193 HG23 VAL 22 2HG2 VAL 22 12.122 3.084 0.528 194 HA PRO 23 HA PRO 23 12.049 7.380 -4.901 195 HB2 PRO 23 2HB PRO 23 14.162 9.032 -4.396 196 HB3 PRO 23 1HB PRO 23 12.518 9.340 -3.825 197 HG2 PRO 23 2HG PRO 23 14.835 8.127 -2.362 198 HG3 PRO 23 1HG PRO 23 13.671 9.341 -1.800 199 HD2 PRO 23 2HD PRO 23 13.445 6.758 -1.109 200 HD3 PRO 23 1HD PRO 23 12.016 7.765 -1.421 201 H GLU 24 HN GLU 24 13.708 7.947 -6.558 202 HA GLU 24 HA GLU 24 15.200 7.318 -8.119 203 HB2 GLU 24 2HB GLU 24 16.736 7.556 -6.051 204 HB3 GLU 24 1HB GLU 24 16.784 5.799 -6.078 205 HG2 GLU 24 2HG GLU 24 17.667 5.842 -8.344 206 HG3 GLU 24 1HG GLU 24 17.583 7.604 -8.353 207 H SER 25 HN SER 25 13.641 4.910 -6.238 208 HA SER 25 HA SER 25 14.387 2.622 -7.691 209 HB2 SER 25 2HB SER 25 12.240 3.416 -5.807 210 HB3 SER 25 1HB SER 25 11.904 2.034 -6.837 211 HG SER 25 HG SER 25 12.887 1.217 -5.051 212 H LYS 26 HN LYS 26 13.093 1.474 -9.283 213 HA LYS 26 HA LYS 26 12.387 3.225 -11.404 214 HB2 LYS 26 2HB LYS 26 12.190 0.233 -11.098 215 HB3 LYS 26 1HB LYS 26 11.752 1.076 -12.579 216 HG2 LYS 26 2HG LYS 26 14.463 1.095 -11.265 217 HG3 LYS 26 1HG LYS 26 14.009 0.194 -12.714 218 HD2 LYS 26 2HD LYS 26 13.601 2.239 -13.918 219 HD3 LYS 26 1HD LYS 26 13.864 3.196 -12.459 220 HE2 LYS 26 2HE LYS 26 16.189 2.471 -12.392 221 HE3 LYS 26 1HE LYS 26 15.929 1.479 -13.827 222 HZ1 LYS 26 3HZ LYS 26 15.539 4.421 -13.773 223 HZ2 LYS 26 1HZ LYS 26 15.545 3.409 -15.133 224 HZ3 LYS 26 2HZ LYS 26 16.979 3.673 -14.262 225 H VAL 27 HN VAL 27 10.503 1.478 -9.022 226 HA VAL 27 HA VAL 27 8.030 1.956 -10.444 227 HB VAL 27 HB VAL 27 6.902 0.929 -8.573 228 HG11 VAL 27 1HG1 VAL 27 7.895 -0.559 -10.199 229 HG12 VAL 27 2HG1 VAL 27 8.015 -1.274 -8.590 230 HG13 VAL 27 3HG1 VAL 27 9.430 -0.529 -9.333 231 HG21 VAL 27 3HG2 VAL 27 8.143 0.127 -6.605 232 HG22 VAL 27 1HG2 VAL 27 8.159 1.887 -6.734 233 HG23 VAL 27 2HG2 VAL 27 9.584 0.957 -7.194 234 H ARG 28 HN ARG 28 10.008 3.766 -8.410 235 HA ARG 28 HA ARG 28 8.193 5.171 -6.821 236 HB2 ARG 28 2HB ARG 28 10.482 5.383 -6.289 237 HB3 ARG 28 1HB ARG 28 10.910 5.862 -7.923 238 HG2 ARG 28 2HG ARG 28 9.088 7.658 -6.425 239 HG3 ARG 28 1HG ARG 28 10.771 7.583 -5.897 240 HD2 ARG 28 2HD ARG 28 11.515 8.133 -8.152 241 HD3 ARG 28 1HD ARG 28 9.845 8.160 -8.710 242 HE ARG 28 HE ARG 28 9.796 10.006 -6.773 243 HH11 ARG 28 1HH1 ARG 28 11.987 9.480 -9.447 244 HH12 ARG 28 2HH1 ARG 28 12.421 11.151 -9.598 245 HH21 ARG 28 1HH2 ARG 28 10.336 12.239 -6.990 246 HH22 ARG 28 2HH2 ARG 28 11.460 12.724 -8.223 247 H ARG 29 HN ARG 29 9.430 5.961 -10.061 248 HA ARG 29 HA ARG 29 8.018 8.365 -10.372 249 HB2 ARG 29 2HB ARG 29 8.412 8.011 -12.802 250 HB3 ARG 29 1HB ARG 29 9.858 7.838 -11.825 251 HG2 ARG 29 2HG ARG 29 9.793 5.465 -12.014 252 HG3 ARG 29 1HG ARG 29 8.204 5.520 -12.781 253 HD2 ARG 29 2HD ARG 29 10.730 6.699 -13.936 254 HD3 ARG 29 1HD ARG 29 10.043 5.138 -14.388 255 HE ARG 29 HE ARG 29 8.780 7.758 -14.886 256 HH11 ARG 29 1HH1 ARG 29 9.106 4.335 -15.577 257 HH12 ARG 29 2HH1 ARG 29 8.178 4.422 -17.045 258 HH21 ARG 29 1HH2 ARG 29 7.571 7.869 -16.828 259 HH22 ARG 29 2HH2 ARG 29 7.314 6.418 -17.761 260 H LYS 30 HN LYS 30 7.171 5.039 -10.970 261 HA LYS 30 HA LYS 30 4.813 5.469 -12.464 262 HB2 LYS 30 2HB LYS 30 6.072 3.335 -12.378 263 HB3 LYS 30 1HB LYS 30 5.580 3.132 -10.707 264 HG2 LYS 30 2HG LYS 30 3.265 2.935 -11.377 265 HG3 LYS 30 1HG LYS 30 3.706 3.231 -13.062 266 HD2 LYS 30 2HD LYS 30 5.008 1.195 -13.122 267 HD3 LYS 30 1HD LYS 30 4.740 0.935 -11.398 268 HE2 LYS 30 2HE LYS 30 2.597 0.946 -13.521 269 HE3 LYS 30 1HE LYS 30 3.301 -0.491 -12.780 270 HZ1 LYS 30 3HZ LYS 30 2.502 0.356 -10.607 271 HZ2 LYS 30 1HZ LYS 30 1.246 0.003 -11.699 272 HZ3 LYS 30 2HZ LYS 30 1.696 1.607 -11.430 273 H ILE 31 HN ILE 31 5.350 4.761 -9.033 274 HA ILE 31 HA ILE 31 2.626 4.853 -8.267 275 HB ILE 31 HB ILE 31 5.087 5.309 -6.568 276 HG12 ILE 31 2HG1 ILE 31 3.525 2.757 -7.018 277 HG13 ILE 31 1HG1 ILE 31 5.016 3.157 -7.865 278 HG21 ILE 31 1HG2 ILE 31 3.661 4.596 -4.698 279 HG22 ILE 31 2HG2 ILE 31 2.276 4.534 -5.790 280 HG23 ILE 31 3HG2 ILE 31 3.067 6.075 -5.456 281 HD11 ILE 31 3HD1 ILE 31 5.419 1.643 -6.010 282 HD12 ILE 31 1HD1 ILE 31 4.718 2.811 -4.890 283 HD13 ILE 31 2HD1 ILE 31 6.212 3.196 -5.744 284 H MET 32 HN MET 32 5.190 7.324 -8.237 285 HA MET 32 HA MET 32 3.586 9.267 -6.909 286 HB2 MET 32 2HB MET 32 6.105 9.577 -8.543 287 HB3 MET 32 1HB MET 32 5.336 10.892 -7.662 288 HG2 MET 32 2HG MET 32 5.598 9.563 -5.576 289 HG3 MET 32 1HG MET 32 6.519 8.382 -6.503 290 HE1 MET 32 3HE MET 32 6.386 12.027 -5.105 291 HE2 MET 32 1HE MET 32 6.509 12.314 -6.842 292 HE3 MET 32 2HE MET 32 7.852 12.737 -5.779 293 H ASP 33 HN ASP 33 4.041 8.389 -10.262 294 HA ASP 33 HA ASP 33 2.732 10.636 -11.395 295 HB2 ASP 33 2HB ASP 33 4.102 9.085 -12.734 296 HB3 ASP 33 1HB ASP 33 2.933 7.800 -12.448 297 H MET 34 HN MET 34 1.657 7.736 -9.848 298 HA MET 34 HA MET 34 -1.058 7.844 -10.732 299 HB2 MET 34 2HB MET 34 0.232 6.405 -8.410 300 HB3 MET 34 1HB MET 34 -1.444 6.199 -8.887 301 HG2 MET 34 2HG MET 34 0.982 5.529 -10.531 302 HG3 MET 34 1HG MET 34 -0.105 4.390 -9.740 303 HE1 MET 34 3HE MET 34 -2.679 4.120 -10.416 304 HE2 MET 34 1HE MET 34 -3.427 4.952 -11.782 305 HE3 MET 34 2HE MET 34 -2.949 5.862 -10.351 306 H GLY 35 HN GLY 35 0.739 9.555 -8.386 307 HA2 GLY 35 2HA GLY 35 -0.338 11.612 -7.618 308 HA3 GLY 35 1HA GLY 35 -1.790 10.664 -7.346 309 H ILE 36 HN ILE 36 0.305 8.555 -6.321 310 HA ILE 36 HA ILE 36 -0.107 9.240 -3.556 311 HB ILE 36 HB ILE 36 1.497 6.942 -4.669 312 HG12 ILE 36 2HG1 ILE 36 -1.415 6.909 -3.866 313 HG13 ILE 36 1HG1 ILE 36 -0.881 7.098 -5.532 314 HG21 ILE 36 1HG2 ILE 36 0.945 5.875 -2.519 315 HG22 ILE 36 2HG2 ILE 36 0.149 7.363 -2.005 316 HG23 ILE 36 3HG2 ILE 36 1.886 7.352 -2.313 317 HD11 ILE 36 3HD1 ILE 36 -0.309 4.730 -3.762 318 HD12 ILE 36 1HD1 ILE 36 0.190 4.914 -5.444 319 HD13 ILE 36 2HD1 ILE 36 -1.523 4.803 -5.039 320 H VAL 37 HN VAL 37 1.292 10.150 -2.210 321 HA VAL 37 HA VAL 37 4.120 10.281 -2.947 322 HB VAL 37 HB VAL 37 4.072 12.757 -2.164 323 HG11 VAL 37 1HG1 VAL 37 3.684 13.510 -4.463 324 HG12 VAL 37 2HG1 VAL 37 2.956 11.951 -4.849 325 HG13 VAL 37 3HG1 VAL 37 4.664 12.045 -4.417 326 HG21 VAL 37 3HG2 VAL 37 2.009 13.958 -2.720 327 HG22 VAL 37 1HG2 VAL 37 1.744 12.801 -1.415 328 HG23 VAL 37 2HG2 VAL 37 1.203 12.424 -3.051 329 H ARG 38 HN ARG 38 2.233 11.954 -0.426 330 HA ARG 38 HA ARG 38 3.486 10.338 1.643 331 HB2 ARG 38 2HB ARG 38 4.962 12.394 0.908 332 HB3 ARG 38 1HB ARG 38 3.788 13.327 1.817 333 HG2 ARG 38 2HG ARG 38 5.435 11.072 2.949 334 HG3 ARG 38 1HG ARG 38 5.826 12.784 3.096 335 HD2 ARG 38 2HD ARG 38 3.424 11.355 4.222 336 HD3 ARG 38 1HD ARG 38 4.775 12.042 5.121 337 HE ARG 38 HE ARG 38 3.477 14.032 3.556 338 HH11 ARG 38 1HH1 ARG 38 3.229 12.204 6.544 339 HH12 ARG 38 2HH1 ARG 38 2.163 13.359 7.293 340 HH21 ARG 38 1HH2 ARG 38 2.065 15.528 4.544 341 HH22 ARG 38 2HH2 ARG 38 1.506 15.235 6.170 342 H GLY 39 HN GLY 39 2.010 9.973 3.164 343 HA2 GLY 39 2HA GLY 39 0.343 10.516 4.713 344 HA3 GLY 39 1HA GLY 39 0.100 12.050 3.892 345 H THR 40 HN THR 40 0.074 10.281 1.337 346 HA THR 40 HA THR 40 -2.715 10.123 1.019 347 HB THR 40 HB THR 40 -0.905 8.355 -0.571 348 HG1 THR 40 1HG THR 40 -0.875 11.210 -0.521 349 HG21 THR 40 3HG2 THR 40 -3.289 8.509 -1.123 350 HG22 THR 40 1HG2 THR 40 -2.283 9.150 -2.423 351 HG23 THR 40 2HG2 THR 40 -3.126 10.251 -1.333 352 H GLU 41 HN GLU 41 -4.132 8.393 1.289 353 HA GLU 41 HA GLU 41 -3.002 6.007 2.545 354 HB2 GLU 41 2HB GLU 41 -5.159 5.981 3.877 355 HB3 GLU 41 1HB GLU 41 -3.964 7.177 4.332 356 HG2 GLU 41 2HG GLU 41 -5.248 8.838 2.987 357 HG3 GLU 41 1HG GLU 41 -6.494 7.609 2.767 358 H ILE 42 HN ILE 42 -4.086 4.081 2.263 359 HA ILE 42 HA ILE 42 -5.928 3.981 -0.024 360 HB ILE 42 HB ILE 42 -3.441 2.276 0.219 361 HG12 ILE 42 2HG1 ILE 42 -3.931 4.583 -1.676 362 HG13 ILE 42 1HG1 ILE 42 -2.903 4.662 -0.249 363 HG21 ILE 42 1HG2 ILE 42 -5.392 2.625 -2.054 364 HG22 ILE 42 2HG2 ILE 42 -5.306 1.231 -0.976 365 HG23 ILE 42 3HG2 ILE 42 -3.962 1.592 -2.061 366 HD11 ILE 42 3HD1 ILE 42 -2.476 2.890 -2.645 367 HD12 ILE 42 1HD1 ILE 42 -1.449 2.951 -1.212 368 HD13 ILE 42 2HD1 ILE 42 -1.586 4.363 -2.258 369 H TYR 43 HN TYR 43 -7.169 2.025 -0.114 370 HA TYR 43 HA TYR 43 -7.256 0.580 2.436 371 HB2 TYR 43 2HB TYR 43 -9.340 1.676 1.414 372 HB3 TYR 43 1HB TYR 43 -9.289 0.392 0.211 373 HD1 TYR 43 2HD TYR 43 -9.572 1.047 3.843 374 HD2 TYR 43 1HD TYR 43 -10.182 -1.747 0.694 375 HE1 TYR 43 2HE TYR 43 -10.813 -0.407 5.381 376 HE2 TYR 43 1HE TYR 43 -11.426 -3.211 2.231 377 HH TYR 43 HH TYR 43 -11.596 -3.614 4.663 378 H ILE 44 HN ILE 44 -6.881 -1.586 2.566 379 HA ILE 44 HA ILE 44 -5.594 -2.814 0.266 380 HB ILE 44 HB ILE 44 -5.985 -3.953 3.041 381 HG12 ILE 44 2HG1 ILE 44 -4.697 -1.854 3.102 382 HG13 ILE 44 1HG1 ILE 44 -3.694 -3.242 3.502 383 HG21 ILE 44 1HG2 ILE 44 -4.129 -5.441 2.424 384 HG22 ILE 44 2HG2 ILE 44 -4.125 -4.746 0.802 385 HG23 ILE 44 3HG2 ILE 44 -5.529 -5.651 1.370 386 HD11 ILE 44 3HD1 ILE 44 -2.745 -3.217 1.264 387 HD12 ILE 44 1HD1 ILE 44 -2.526 -1.662 2.069 388 HD13 ILE 44 2HD1 ILE 44 -3.775 -1.849 0.838 389 H GLU 45 HN GLU 45 -7.034 -3.564 -1.182 390 HA GLU 45 HA GLU 45 -9.534 -4.748 -0.498 391 HB2 GLU 45 2HB GLU 45 -7.941 -4.750 -3.064 392 HB3 GLU 45 1HB GLU 45 -9.565 -5.402 -2.915 393 HG2 GLU 45 2HG GLU 45 -8.897 -2.558 -2.248 394 HG3 GLU 45 1HG GLU 45 -9.364 -3.078 -3.864 395 H GLY 46 HN GLY 46 -6.347 -5.976 -1.359 396 HA2 GLY 46 2HA GLY 46 -6.273 -8.225 0.128 397 HA3 GLY 46 1HA GLY 46 -7.217 -8.734 -1.267 398 H LYS 47 HN LYS 47 -5.177 -10.201 -1.191 399 HA LYS 47 HA LYS 47 -3.198 -9.011 -3.014 400 HB2 LYS 47 2HB LYS 47 -2.612 -11.065 -0.869 401 HB3 LYS 47 1HB LYS 47 -1.447 -10.353 -1.977 402 HG2 LYS 47 2HG LYS 47 -1.765 -8.176 -0.952 403 HG3 LYS 47 1HG LYS 47 -2.994 -8.845 0.123 404 HD2 LYS 47 2HD LYS 47 -0.949 -8.699 1.354 405 HD3 LYS 47 1HD LYS 47 -1.249 -10.403 1.013 406 HE2 LYS 47 2HE LYS 47 0.320 -10.307 -0.860 407 HE3 LYS 47 1HE LYS 47 0.608 -8.599 -0.534 408 HZ1 LYS 47 3HZ LYS 47 1.379 -9.319 1.729 409 HZ2 LYS 47 1HZ LYS 47 2.377 -9.802 0.444 410 HZ3 LYS 47 2HZ LYS 47 1.330 -10.916 1.172 411 H ALA 48 HN ALA 48 -2.329 -10.430 -4.572 412 HA ALA 48 HA ALA 48 -4.099 -12.371 -5.620 413 HB1 ALA 48 1HB ALA 48 -1.179 -11.914 -6.246 414 HB2 ALA 48 2HB ALA 48 -2.538 -11.088 -7.009 415 HB3 ALA 48 3HB ALA 48 -2.321 -12.824 -7.236 416 HA PRO 49 HA PRO 49 -3.116 -16.276 -3.755 417 HB2 PRO 49 2HB PRO 49 -2.030 -17.706 -5.913 418 HB3 PRO 49 1HB PRO 49 -3.731 -17.640 -5.451 419 HG2 PRO 49 2HG PRO 49 -2.270 -16.092 -7.535 420 HG3 PRO 49 1HG PRO 49 -3.926 -16.727 -7.557 421 HD2 PRO 49 2HD PRO 49 -3.461 -14.131 -7.157 422 HD3 PRO 49 1HD PRO 49 -4.742 -14.973 -6.256 423 H MET 50 HN MET 50 -0.583 -14.915 -5.800 424 HA MET 50 HA MET 50 1.495 -16.388 -4.392 425 HB2 MET 50 2HB MET 50 1.700 -14.303 -6.574 426 HB3 MET 50 1HB MET 50 3.037 -15.255 -5.945 427 HG2 MET 50 2HG MET 50 2.009 -17.287 -6.781 428 HG3 MET 50 1HG MET 50 0.631 -16.359 -7.373 429 HE1 MET 50 3HE MET 50 0.875 -17.338 -9.804 430 HE2 MET 50 1HE MET 50 2.216 -18.338 -9.244 431 HE3 MET 50 2HE MET 50 2.392 -17.364 -10.703 432 H GLY 51 HN GLY 51 -0.272 -13.705 -3.735 433 HA2 GLY 51 2HA GLY 51 0.051 -11.996 -2.197 434 HA3 GLY 51 1HA GLY 51 1.704 -12.555 -1.969 435 H ASP 52 HN ASP 52 1.042 -12.267 -5.195 436 HA ASP 52 HA ASP 52 1.828 -9.482 -5.470 437 HB2 ASP 52 2HB ASP 52 3.924 -10.892 -5.209 438 HB3 ASP 52 1HB ASP 52 3.470 -11.714 -6.693 439 HA PRO 53 HA PRO 53 1.504 -8.014 -6.563 440 HB2 PRO 53 2HB PRO 53 -0.239 -6.372 -7.739 441 HB3 PRO 53 1HB PRO 53 1.133 -7.038 -8.634 442 HG2 PRO 53 2HG PRO 53 -1.739 -7.853 -8.681 443 HG3 PRO 53 1HG PRO 53 -0.578 -7.744 -10.017 444 HD2 PRO 53 2HD PRO 53 -1.283 -10.076 -8.668 445 HD3 PRO 53 1HD PRO 53 0.167 -9.860 -9.668 446 H ILE 54 HN ILE 54 -0.081 -6.104 -5.740 447 HA ILE 54 HA ILE 54 -2.046 -7.400 -3.964 448 HB ILE 54 HB ILE 54 -0.449 -4.864 -3.475 449 HG12 ILE 54 2HG1 ILE 54 0.375 -6.324 -1.476 450 HG13 ILE 54 1HG1 ILE 54 -0.160 -7.681 -2.459 451 HG21 ILE 54 1HG2 ILE 54 -2.672 -4.750 -2.485 452 HG22 ILE 54 2HG2 ILE 54 -1.424 -4.870 -1.244 453 HG23 ILE 54 3HG2 ILE 54 -2.391 -6.286 -1.662 454 HD11 ILE 54 3HD1 ILE 54 1.359 -6.982 -4.239 455 HD12 ILE 54 1HD1 ILE 54 2.212 -7.286 -2.726 456 HD13 ILE 54 2HD1 ILE 54 1.897 -5.629 -3.242 457 H ALA 55 HN ALA 55 -4.065 -6.391 -3.680 458 HA ALA 55 HA ALA 55 -4.776 -4.520 -5.822 459 HB1 ALA 55 1HB ALA 55 -6.079 -6.586 -5.670 460 HB2 ALA 55 2HB ALA 55 -7.084 -5.166 -5.379 461 HB3 ALA 55 3HB ALA 55 -6.555 -6.165 -4.025 462 H LEU 56 HN LEU 56 -4.551 -2.465 -5.232 463 HA LEU 56 HA LEU 56 -5.313 -1.630 -2.522 464 HB2 LEU 56 2HB LEU 56 -3.798 -0.176 -4.695 465 HB3 LEU 56 1HB LEU 56 -4.216 0.519 -3.150 466 HG LEU 56 HG LEU 56 -1.895 -0.113 -3.203 467 HD11 LEU 56 1HD1 LEU 56 -2.979 -0.206 -1.080 468 HD12 LEU 56 2HD1 LEU 56 -1.831 -1.540 -1.198 469 HD13 LEU 56 3HD1 LEU 56 -3.557 -1.841 -1.399 470 HD21 LEU 56 3HD2 LEU 56 -2.828 -2.928 -3.698 471 HD22 LEU 56 1HD2 LEU 56 -1.175 -2.444 -3.324 472 HD23 LEU 56 2HD2 LEU 56 -1.934 -1.905 -4.822 473 H ARG 57 HN ARG 57 -6.879 -0.007 -2.232 474 HA ARG 57 HA ARG 57 -8.394 0.660 -4.674 475 HB2 ARG 57 2HB ARG 57 -9.512 -0.828 -2.903 476 HB3 ARG 57 1HB ARG 57 -9.592 0.624 -1.919 477 HG2 ARG 57 2HG ARG 57 -10.955 1.729 -3.565 478 HG3 ARG 57 1HG ARG 57 -10.791 0.362 -4.666 479 HD2 ARG 57 2HD ARG 57 -11.876 -1.063 -2.927 480 HD3 ARG 57 1HD ARG 57 -12.184 0.400 -1.996 481 HE ARG 57 HE ARG 57 -13.452 1.129 -4.094 482 HH11 ARG 57 1HH1 ARG 57 -13.105 -2.217 -3.112 483 HH12 ARG 57 2HH1 ARG 57 -14.662 -2.693 -3.725 484 HH21 ARG 57 1HH2 ARG 57 -15.498 0.492 -4.943 485 HH22 ARG 57 2HH2 ARG 57 -16.004 -1.164 -4.784 486 H LEU 58 HN LEU 58 -8.147 2.674 -5.257 487 HA LEU 58 HA LEU 58 -8.262 4.827 -3.310 488 HB2 LEU 58 2HB LEU 58 -5.876 4.291 -3.370 489 HB3 LEU 58 1HB LEU 58 -5.874 4.399 -5.118 490 HG LEU 58 HG LEU 58 -6.763 6.848 -3.735 491 HD11 LEU 58 1HD1 LEU 58 -5.041 6.158 -2.177 492 HD12 LEU 58 2HD1 LEU 58 -4.473 7.518 -3.147 493 HD13 LEU 58 3HD1 LEU 58 -3.916 5.883 -3.507 494 HD21 LEU 58 3HD2 LEU 58 -5.318 7.893 -5.398 495 HD22 LEU 58 1HD2 LEU 58 -6.409 6.733 -6.157 496 HD23 LEU 58 2HD2 LEU 58 -4.717 6.310 -5.890 497 H ARG 59 HN ARG 59 -8.607 6.908 -4.360 498 HA ARG 59 HA ARG 59 -9.483 8.317 -5.926 499 HB2 ARG 59 2HB ARG 59 -7.814 7.387 -7.498 500 HB3 ARG 59 1HB ARG 59 -8.933 6.102 -7.915 501 HG2 ARG 59 2HG ARG 59 -10.486 7.768 -8.827 502 HG3 ARG 59 1HG ARG 59 -9.329 9.044 -8.433 503 HD2 ARG 59 2HD ARG 59 -7.669 7.967 -9.887 504 HD3 ARG 59 1HD ARG 59 -8.845 6.721 -10.297 505 HE ARG 59 HE ARG 59 -9.934 9.252 -10.886 506 HH11 ARG 59 1HH1 ARG 59 -7.516 6.985 -12.005 507 HH12 ARG 59 2HH1 ARG 59 -7.509 7.573 -13.638 508 HH21 ARG 59 1HH2 ARG 59 -9.935 10.050 -13.037 509 HH22 ARG 59 2HH2 ARG 59 -8.910 9.309 -14.226 510 H GLY 60 HN GLY 60 -10.575 5.097 -5.526 511 HA2 GLY 60 2HA GLY 60 -13.102 5.399 -4.856 512 HA3 GLY 60 1HA GLY 60 -13.231 5.660 -6.589 513 H TYR 61 HN TYR 61 -11.247 3.811 -7.388 514 HA TYR 61 HA TYR 61 -12.686 1.319 -6.788 515 HB2 TYR 61 2HB TYR 61 -12.061 0.631 -9.136 516 HB3 TYR 61 1HB TYR 61 -13.253 1.914 -9.012 517 HD1 TYR 61 2HD TYR 61 -12.596 4.263 -9.541 518 HD2 TYR 61 1HD TYR 61 -9.946 0.992 -10.167 519 HE1 TYR 61 2HE TYR 61 -11.211 5.675 -11.004 520 HE2 TYR 61 1HE TYR 61 -8.559 2.394 -11.632 521 HH TYR 61 HH TYR 61 -8.787 4.403 -13.019 522 H SER 62 HN SER 62 -11.404 -0.645 -7.371 523 HA SER 62 HA SER 62 -8.874 -0.503 -6.020 524 HB2 SER 62 2HB SER 62 -10.048 -2.976 -7.239 525 HB3 SER 62 1HB SER 62 -9.113 -2.797 -5.762 526 HG SER 62 HG SER 62 -11.011 -2.834 -4.842 527 H LEU 63 HN LEU 63 -6.908 -0.809 -6.877 528 HA LEU 63 HA LEU 63 -6.642 -1.666 -9.675 529 HB2 LEU 63 2HB LEU 63 -5.318 0.709 -8.364 530 HB3 LEU 63 1HB LEU 63 -4.701 -0.024 -9.831 531 HG LEU 63 HG LEU 63 -7.439 1.221 -9.541 532 HD11 LEU 63 1HD1 LEU 63 -5.645 2.882 -9.413 533 HD12 LEU 63 2HD1 LEU 63 -6.550 3.021 -10.920 534 HD13 LEU 63 3HD1 LEU 63 -4.960 2.258 -10.914 535 HD21 LEU 63 3HD2 LEU 63 -7.545 0.995 -11.971 536 HD22 LEU 63 1HD2 LEU 63 -7.359 -0.580 -11.198 537 HD23 LEU 63 2HD2 LEU 63 -5.975 0.191 -11.973 538 H SER 64 HN SER 64 -4.440 -2.541 -10.119 539 HA SER 64 HA SER 64 -3.492 -3.900 -7.714 540 HB2 SER 64 2HB SER 64 -3.512 -4.561 -10.626 541 HB3 SER 64 1HB SER 64 -2.329 -5.320 -9.576 542 HG SER 64 HG SER 64 -4.337 -5.741 -8.209 543 H LEU 65 HN LEU 65 -1.470 -3.746 -7.010 544 HA LEU 65 HA LEU 65 0.520 -2.333 -8.656 545 HB2 LEU 65 2HB LEU 65 0.065 -2.070 -5.678 546 HB3 LEU 65 1HB LEU 65 1.487 -1.474 -6.506 547 HG LEU 65 HG LEU 65 -1.334 -0.524 -7.003 548 HD11 LEU 65 1HD1 LEU 65 -0.588 1.540 -5.915 549 HD12 LEU 65 2HD1 LEU 65 0.960 0.778 -5.546 550 HD13 LEU 65 3HD1 LEU 65 -0.523 0.160 -4.816 551 HD21 LEU 65 3HD2 LEU 65 -0.265 1.230 -8.330 552 HD22 LEU 65 1HD2 LEU 65 0.069 -0.369 -8.993 553 HD23 LEU 65 2HD2 LEU 65 1.308 0.477 -8.063 554 H ARG 66 HN ARG 66 2.486 -3.317 -8.770 555 HA ARG 66 HA ARG 66 2.601 -6.073 -8.106 556 HB2 ARG 66 2HB ARG 66 4.772 -4.161 -8.983 557 HB3 ARG 66 1HB ARG 66 4.974 -5.903 -8.861 558 HG2 ARG 66 2HG ARG 66 3.005 -4.507 -10.659 559 HG3 ARG 66 1HG ARG 66 4.563 -5.163 -11.160 560 HD2 ARG 66 2HD ARG 66 2.246 -6.722 -10.023 561 HD3 ARG 66 1HD ARG 66 2.772 -6.714 -11.706 562 HE ARG 66 HE ARG 66 4.923 -7.483 -10.046 563 HH11 ARG 66 1HH1 ARG 66 1.877 -8.698 -11.301 564 HH12 ARG 66 2HH1 ARG 66 2.340 -10.370 -11.153 565 HH21 ARG 66 1HH2 ARG 66 5.531 -9.677 -9.871 566 HH22 ARG 66 2HH2 ARG 66 4.417 -10.924 -10.340 567 H LYS 67 HN LYS 67 4.019 -7.168 -6.658 568 HA LYS 67 HA LYS 67 4.166 -6.138 -4.067 569 HB2 LYS 67 2HB LYS 67 4.445 -8.569 -4.868 570 HB3 LYS 67 1HB LYS 67 6.135 -8.153 -5.121 571 HG2 LYS 67 2HG LYS 67 5.898 -7.294 -2.628 572 HG3 LYS 67 1HG LYS 67 4.620 -8.505 -2.605 573 HD2 LYS 67 2HD LYS 67 7.534 -8.923 -3.244 574 HD3 LYS 67 1HD LYS 67 6.652 -9.521 -1.843 575 HE2 LYS 67 2HE LYS 67 6.681 -11.411 -3.121 576 HE3 LYS 67 1HE LYS 67 5.184 -10.684 -3.704 577 HZ1 LYS 67 3HZ LYS 67 6.228 -9.942 -5.654 578 HZ2 LYS 67 1HZ LYS 67 6.798 -11.523 -5.435 579 HZ3 LYS 67 2HZ LYS 67 7.787 -10.202 -5.034 580 H SER 68 HN SER 68 6.457 -6.001 -6.714 581 HA SER 68 HA SER 68 8.698 -5.004 -5.401 582 HB2 SER 68 2HB SER 68 7.742 -4.261 -8.179 583 HB3 SER 68 1HB SER 68 9.400 -4.186 -7.578 584 HG SER 68 HG SER 68 7.981 -6.323 -8.534 585 H GLU 69 HN GLU 69 5.938 -3.267 -6.807 586 HA GLU 69 HA GLU 69 6.807 -0.658 -6.118 587 HB2 GLU 69 2HB GLU 69 3.965 -1.645 -6.493 588 HB3 GLU 69 1HB GLU 69 4.519 0.019 -6.612 589 HG2 GLU 69 2HG GLU 69 5.825 -0.534 -8.584 590 HG3 GLU 69 1HG GLU 69 5.340 -2.221 -8.443 591 H ALA 70 HN ALA 70 4.672 -3.005 -4.576 592 HA ALA 70 HA ALA 70 3.925 -1.435 -2.360 593 HB1 ALA 70 1HB ALA 70 4.086 -4.440 -2.548 594 HB2 ALA 70 2HB ALA 70 2.727 -3.452 -3.083 595 HB3 ALA 70 3HB ALA 70 3.155 -3.511 -1.373 596 H LYS 71 HN LYS 71 6.826 -3.153 -3.067 597 HA LYS 71 HA LYS 71 7.701 -3.365 -0.326 598 HB2 LYS 71 2HB LYS 71 8.375 -4.976 -2.112 599 HB3 LYS 71 1HB LYS 71 9.288 -3.688 -2.883 600 HG2 LYS 71 2HG LYS 71 10.669 -3.506 -0.838 601 HG3 LYS 71 1HG LYS 71 9.804 -4.894 -0.174 602 HD2 LYS 71 2HD LYS 71 10.540 -6.233 -2.116 603 HD3 LYS 71 1HD LYS 71 11.469 -4.845 -2.688 604 HE2 LYS 71 2HE LYS 71 12.738 -4.878 -0.563 605 HE3 LYS 71 1HE LYS 71 11.870 -6.342 -0.101 606 HZ1 LYS 71 3HZ LYS 71 13.658 -6.025 -2.452 607 HZ2 LYS 71 1HZ LYS 71 12.777 -7.430 -2.090 608 HZ3 LYS 71 2HZ LYS 71 13.998 -6.903 -1.040 609 H ASP 72 HN ASP 72 7.886 -1.052 -2.885 610 HA ASP 72 HA ASP 72 10.003 0.446 -1.548 611 HB2 ASP 72 2HB ASP 72 8.710 0.638 -4.257 612 HB3 ASP 72 1HB ASP 72 9.645 1.978 -3.617 613 H ILE 73 HN ILE 73 6.985 0.084 -0.873 614 HA ILE 73 HA ILE 73 6.530 2.930 -0.251 615 HB ILE 73 HB ILE 73 4.424 0.792 -0.658 616 HG12 ILE 73 2HG1 ILE 73 5.086 3.217 -2.347 617 HG13 ILE 73 1HG1 ILE 73 5.428 1.542 -2.777 618 HG21 ILE 73 1HG2 ILE 73 2.809 2.616 -0.396 619 HG22 ILE 73 2HG2 ILE 73 4.130 3.733 -0.053 620 HG23 ILE 73 3HG2 ILE 73 3.791 2.402 1.054 621 HD11 ILE 73 3HD1 ILE 73 3.035 1.061 -2.809 622 HD12 ILE 73 1HD1 ILE 73 3.455 2.360 -3.925 623 HD13 ILE 73 2HD1 ILE 73 2.694 2.737 -2.379 624 H LEU 74 HN LEU 74 6.763 3.317 1.866 625 HA LEU 74 HA LEU 74 6.394 1.097 3.752 626 HB2 LEU 74 2HB LEU 74 7.766 3.766 4.103 627 HB3 LEU 74 1HB LEU 74 7.643 2.526 5.332 628 HG LEU 74 HG LEU 74 9.123 2.264 2.715 629 HD11 LEU 74 1HD1 LEU 74 10.219 3.774 4.289 630 HD12 LEU 74 2HD1 LEU 74 11.128 2.278 4.093 631 HD13 LEU 74 3HD1 LEU 74 10.148 2.530 5.536 632 HD21 LEU 74 3HD2 LEU 74 8.899 0.360 5.044 633 HD22 LEU 74 1HD2 LEU 74 9.945 0.150 3.639 634 HD23 LEU 74 2HD2 LEU 74 8.193 0.135 3.444 635 H VAL 75 HN VAL 75 4.644 1.079 5.032 636 HA VAL 75 HA VAL 75 3.083 3.567 5.283 637 HB VAL 75 HB VAL 75 0.997 2.278 4.901 638 HG11 VAL 75 1HG1 VAL 75 1.200 2.120 2.460 639 HG12 VAL 75 2HG1 VAL 75 2.953 2.244 2.609 640 HG13 VAL 75 3HG1 VAL 75 1.930 3.597 3.090 641 HG21 VAL 75 3HG2 VAL 75 2.872 0.091 4.010 642 HG22 VAL 75 1HG2 VAL 75 1.118 0.085 3.813 643 HG23 VAL 75 2HG2 VAL 75 1.826 0.050 5.429 644 H GLU 76 HN GLU 76 1.210 3.253 6.808 645 HA GLU 76 HA GLU 76 1.708 1.280 8.908 646 HB2 GLU 76 2HB GLU 76 1.081 3.085 10.596 647 HB3 GLU 76 1HB GLU 76 2.684 3.194 9.886 648 HG2 GLU 76 2HG GLU 76 2.070 5.361 9.722 649 HG3 GLU 76 1HG GLU 76 1.431 4.780 8.188 650 H VAL 77 HN VAL 77 -0.257 0.997 10.318 651 HA VAL 77 HA VAL 77 -2.572 1.050 8.530 652 HB VAL 77 HB VAL 77 -1.833 -1.155 9.304 653 HG11 VAL 77 1HG1 VAL 77 -0.936 -0.555 11.479 654 HG12 VAL 77 2HG1 VAL 77 -2.133 -1.841 11.631 655 HG13 VAL 77 3HG1 VAL 77 -2.560 -0.185 12.064 656 HG21 VAL 77 3HG2 VAL 77 -4.156 -0.871 8.721 657 HG22 VAL 77 1HG2 VAL 77 -4.532 -0.310 10.349 658 HG23 VAL 77 2HG2 VAL 77 -4.025 -1.980 10.088 659 H LEU 78 HN LEU 78 -4.419 2.068 8.993 660 HA LEU 78 HA LEU 78 -4.437 3.926 11.196 661 HB2 LEU 78 2HB LEU 78 -6.535 3.375 9.099 662 HB3 LEU 78 1HB LEU 78 -6.524 4.737 10.202 663 HG LEU 78 HG LEU 78 -4.450 4.218 8.074 664 HD11 LEU 78 1HD1 LEU 78 -6.732 6.179 8.168 665 HD12 LEU 78 2HD1 LEU 78 -6.587 4.788 7.093 666 HD13 LEU 78 3HD1 LEU 78 -5.465 6.141 6.942 667 HD21 LEU 78 3HD2 LEU 78 -3.572 5.419 10.010 668 HD22 LEU 78 1HD2 LEU 78 -4.884 6.590 9.883 669 HD23 LEU 78 2HD2 LEU 78 -3.681 6.472 8.599 670 H LEU 79 HN LEU 79 -5.629 0.830 10.583 671 HA LEU 79 HA LEU 79 -7.874 0.828 12.284 672 HB2 LEU 79 2HB LEU 79 -6.197 -1.317 11.050 673 HB3 LEU 79 1HB LEU 79 -7.351 -1.734 12.299 674 HG LEU 79 HG LEU 79 -9.165 -0.773 10.914 675 HD11 LEU 79 1HD1 LEU 79 -7.018 -0.496 8.817 676 HD12 LEU 79 2HD1 LEU 79 -7.846 0.830 9.634 677 HD13 LEU 79 3HD1 LEU 79 -8.748 -0.250 8.572 678 HD21 LEU 79 3HD2 LEU 79 -9.195 -2.571 9.246 679 HD22 LEU 79 1HD2 LEU 79 -8.707 -3.152 10.837 680 HD23 LEU 79 2HD2 LEU 79 -7.495 -2.899 9.581 681 H GLU 80 HN GLU 80 -7.837 1.100 14.397 682 HA GLU 80 HA GLU 80 -5.374 0.786 15.856 683 HB2 GLU 80 2HB GLU 80 -8.121 1.714 16.702 684 HB3 GLU 80 1HB GLU 80 -6.728 1.660 17.777 685 HG2 GLU 80 2HG GLU 80 -5.547 3.245 16.408 686 HG3 GLU 80 1HG GLU 80 -6.838 3.224 15.211 687 H HIS 81 HN HIS 81 -5.291 -1.496 15.381 688 HA HIS 81 HA HIS 81 -6.507 -3.023 17.569 689 HB2 HIS 81 2HB HIS 81 -7.634 -3.429 15.280 690 HB3 HIS 81 1HB HIS 81 -6.123 -4.194 14.808 691 HD1 HIS 81 1HD HIS 81 -9.335 -5.000 16.098 692 HD2 HIS 81 2HD HIS 81 -5.479 -6.409 16.787 693 HE1 HIS 81 1HE HIS 81 -9.616 -7.268 17.145 694 HE2 HIS 81 2HE HIS 81 -7.278 -8.163 17.419 695 H HIS 82 HN HIS 82 -4.707 -3.262 18.786 696 HA HIS 82 HA HIS 82 -2.115 -3.309 17.572 697 HB2 HIS 82 2HB HIS 82 -1.301 -3.613 19.962 698 HB3 HIS 82 1HB HIS 82 -2.165 -2.132 19.589 699 HD1 HIS 82 1HD HIS 82 -3.303 -1.528 21.693 700 HD2 HIS 82 2HD HIS 82 -3.727 -5.576 20.831 701 HE1 HIS 82 1HE HIS 82 -4.819 -2.447 23.476 702 HE2 HIS 82 2HE HIS 82 -5.231 -4.839 22.802 703 H HIS 83 HN HIS 83 -2.909 -5.371 16.358 704 HA HIS 83 HA HIS 83 -2.244 -7.779 17.831 705 HB2 HIS 83 2HB HIS 83 -2.612 -8.989 15.738 706 HB3 HIS 83 1HB HIS 83 -3.958 -7.918 16.076 707 HD1 HIS 83 1HD HIS 83 -1.991 -9.047 13.378 708 HD2 HIS 83 2HD HIS 83 -3.577 -5.350 14.450 709 HE1 HIS 83 1HE HIS 83 -2.039 -7.688 11.265 710 HE2 HIS 83 2HE HIS 83 -3.258 -5.573 11.886 711 H HIS 84 HN HIS 84 -0.203 -7.842 18.477 712 HA HIS 84 HA HIS 84 1.852 -6.447 17.038 713 HB2 HIS 84 2HB HIS 84 2.004 -8.176 19.513 714 HB3 HIS 84 1HB HIS 84 3.331 -7.209 18.880 715 HD1 HIS 84 1HD HIS 84 0.370 -7.048 21.026 716 HD2 HIS 84 2HD HIS 84 2.846 -4.351 19.048 717 HE1 HIS 84 1HE HIS 84 -0.084 -4.810 22.080 718 HE2 HIS 84 2HE HIS 84 1.304 -3.170 20.765 719 H HIS 85 HN HIS 85 2.502 -7.334 15.192 720 HA HIS 85 HA HIS 85 3.703 -8.651 13.794 721 HB2 HIS 85 2HB HIS 85 5.235 -8.635 15.844 722 HB3 HIS 85 1HB HIS 85 4.600 -10.235 16.201 723 HD1 HIS 85 1HD HIS 85 6.568 -8.396 13.544 724 HD2 HIS 85 2HD HIS 85 5.803 -12.283 14.820 725 HE1 HIS 85 1HE HIS 85 8.139 -9.864 12.236 726 HE2 HIS 85 2HE HIS 85 7.796 -12.181 13.170 727 H HIS 86 HN HIS 86 0.993 -9.515 15.019 728 HA HIS 86 HA HIS 86 0.664 -11.859 13.444 729 HB2 HIS 86 2HB HIS 86 1.503 -12.265 16.136 730 HB3 HIS 86 1HB HIS 86 -0.192 -12.727 16.040 731 HD1 HIS 86 1HD HIS 86 -0.788 -14.760 14.524 732 HD2 HIS 86 2HD HIS 86 3.283 -13.952 14.819 733 HE1 HIS 86 1HE HIS 86 0.377 -16.814 13.666 734 HE2 HIS 86 2HE HIS 86 2.821 -16.391 14.084 Start of MODEL 8 1 H1 MET 1 H1 MET 1 14.056 9.604 11.371 2 H2 MET 1 H2 MET 1 12.956 9.886 10.112 3 H3 MET 1 H3 MET 1 14.310 8.898 9.852 4 HA MET 1 HA MET 1 13.474 7.275 11.406 5 HB2 MET 1 2HB MET 1 11.119 9.167 11.559 6 HB3 MET 1 1HB MET 1 11.103 7.522 12.173 7 HG2 MET 1 2HG MET 1 12.909 9.733 13.127 8 HG3 MET 1 1HG MET 1 11.451 9.167 13.941 9 HE1 MET 1 2HE MET 1 12.698 8.731 16.210 10 HE2 MET 1 3HE MET 1 14.163 9.390 15.485 11 HE3 MET 1 1HE MET 1 14.221 7.847 16.338 12 H THR 2 HN THR 2 12.740 5.535 10.318 13 HA THR 2 HA THR 2 11.678 5.920 7.669 14 HB THR 2 HB THR 2 11.622 3.386 7.644 15 HG1 THR 2 1HG THR 2 11.795 2.459 9.528 16 HG21 THR 2 3HG2 THR 2 13.504 4.679 6.751 17 HG22 THR 2 1HG2 THR 2 14.044 3.167 7.481 18 HG23 THR 2 2HG2 THR 2 14.251 4.689 8.350 19 H LYS 3 HN LYS 3 10.545 4.082 10.495 20 HA LYS 3 HA LYS 3 8.498 3.695 11.379 21 HB2 LYS 3 2HB LYS 3 7.898 6.112 9.744 22 HB3 LYS 3 1HB LYS 3 6.558 5.181 10.393 23 HG2 LYS 3 2HG LYS 3 7.676 5.432 12.659 24 HG3 LYS 3 1HG LYS 3 8.709 6.643 11.889 25 HD2 LYS 3 2HD LYS 3 6.717 7.616 13.020 26 HD3 LYS 3 1HD LYS 3 6.785 7.973 11.294 27 HE2 LYS 3 2HE LYS 3 5.213 6.149 10.855 28 HE3 LYS 3 1HE LYS 3 5.148 5.787 12.577 29 HZ1 LYS 3 3HZ LYS 3 4.115 7.864 13.006 30 HZ2 LYS 3 1HZ LYS 3 3.263 7.132 11.734 31 HZ3 LYS 3 2HZ LYS 3 4.348 8.397 11.414 32 H GLY 4 HN GLY 4 6.283 2.938 10.859 33 HA2 GLY 4 2HA GLY 4 4.791 1.665 9.699 34 HA3 GLY 4 1HA GLY 4 5.388 2.454 8.253 35 H ILE 5 HN ILE 5 4.823 0.359 7.377 36 HA ILE 5 HA ILE 5 7.233 -1.307 7.267 37 HB ILE 5 HB ILE 5 5.778 -3.319 6.913 38 HG12 ILE 5 2HG1 ILE 5 3.603 -1.528 8.023 39 HG13 ILE 5 1HG1 ILE 5 3.696 -2.115 6.366 40 HG21 ILE 5 1HG2 ILE 5 5.568 -1.996 9.617 41 HG22 ILE 5 2HG2 ILE 5 6.899 -2.996 9.034 42 HG23 ILE 5 3HG2 ILE 5 5.309 -3.711 9.295 43 HD11 ILE 5 3HD1 ILE 5 3.465 -4.411 7.182 44 HD12 ILE 5 1HD1 ILE 5 2.097 -3.399 7.643 45 HD13 ILE 5 2HD1 ILE 5 3.337 -3.801 8.832 46 H GLY 6 HN GLY 6 6.919 -2.787 5.174 47 HA2 GLY 6 2HA GLY 6 6.464 -0.971 3.005 48 HA3 GLY 6 1HA GLY 6 6.840 -2.683 2.871 49 H LEU 7 HN LEU 7 4.841 -1.015 1.468 50 HA LEU 7 HA LEU 7 2.228 -1.555 2.283 51 HB2 LEU 7 2HB LEU 7 3.143 -0.080 0.369 52 HB3 LEU 7 1HB LEU 7 3.118 -1.538 -0.597 53 HG LEU 7 HG LEU 7 1.164 -0.012 -0.921 54 HD11 LEU 7 1HD1 LEU 7 1.011 -2.333 -1.574 55 HD12 LEU 7 2HD1 LEU 7 -0.525 -1.786 -0.901 56 HD13 LEU 7 3HD1 LEU 7 0.554 -2.789 0.068 57 HD21 LEU 7 3HD2 LEU 7 0.447 -0.918 1.862 58 HD22 LEU 7 1HD2 LEU 7 -0.597 -0.006 0.770 59 HD23 LEU 7 2HD2 LEU 7 0.892 0.719 1.378 60 H ASN 8 HN ASN 8 4.606 -3.560 0.767 61 HA ASN 8 HA ASN 8 2.879 -5.641 -0.119 62 HB2 ASN 8 2HB ASN 8 4.906 -6.902 -0.520 63 HB3 ASN 8 1HB ASN 8 5.172 -5.235 -1.019 64 HD21 ASN 8 1HD2 ASN 8 6.535 -3.909 0.236 65 HD22 ASN 8 2HD2 ASN 8 7.660 -4.579 1.364 66 H GLU 9 HN GLU 9 3.900 -4.710 2.967 67 HA GLU 9 HA GLU 9 3.847 -7.434 4.038 68 HB2 GLU 9 2HB GLU 9 4.756 -4.837 5.275 69 HB3 GLU 9 1HB GLU 9 4.830 -6.406 6.046 70 HG2 GLU 9 2HG GLU 9 6.377 -7.182 4.344 71 HG3 GLU 9 1HG GLU 9 6.287 -5.617 3.543 72 H VAL 10 HN VAL 10 1.679 -5.137 3.406 73 HA VAL 10 HA VAL 10 0.330 -5.049 5.962 74 HB VAL 10 HB VAL 10 -0.743 -4.107 3.308 75 HG11 VAL 10 1HG1 VAL 10 -2.066 -2.566 4.706 76 HG12 VAL 10 2HG1 VAL 10 -1.403 -3.338 6.146 77 HG13 VAL 10 3HG1 VAL 10 -2.424 -4.259 5.042 78 HG21 VAL 10 3HG2 VAL 10 0.121 -1.880 3.893 79 HG22 VAL 10 1HG2 VAL 10 1.418 -3.055 3.672 80 HG23 VAL 10 2HG2 VAL 10 0.929 -2.576 5.298 81 H GLU 11 HN GLU 11 -1.885 -5.764 6.206 82 HA GLU 11 HA GLU 11 -2.147 -8.449 5.094 83 HB2 GLU 11 2HB GLU 11 -2.136 -7.824 7.621 84 HB3 GLU 11 1HB GLU 11 -3.803 -7.351 7.344 85 HG2 GLU 11 2HG GLU 11 -4.271 -9.629 6.529 86 HG3 GLU 11 1HG GLU 11 -2.611 -10.079 6.919 87 H ILE 12 HN ILE 12 -4.590 -9.150 5.040 88 HA ILE 12 HA ILE 12 -5.748 -7.607 2.924 89 HB ILE 12 HB ILE 12 -7.567 -9.330 2.997 90 HG12 ILE 12 2HG1 ILE 12 -5.794 -10.592 5.107 91 HG13 ILE 12 1HG1 ILE 12 -7.375 -9.879 5.406 92 HG21 ILE 12 1HG2 ILE 12 -4.744 -10.370 2.813 93 HG22 ILE 12 2HG2 ILE 12 -5.624 -9.535 1.533 94 HG23 ILE 12 3HG2 ILE 12 -6.172 -11.115 2.095 95 HD11 ILE 12 3HD1 ILE 12 -8.410 -11.562 3.985 96 HD12 ILE 12 1HD1 ILE 12 -7.495 -12.300 5.299 97 HD13 ILE 12 2HD1 ILE 12 -6.826 -12.272 3.668 98 H LYS 13 HN LYS 13 -7.657 -6.518 2.864 99 HA LYS 13 HA LYS 13 -9.324 -5.167 3.543 100 HB2 LYS 13 2HB LYS 13 -9.573 -7.351 5.594 101 HB3 LYS 13 1HB LYS 13 -10.684 -5.986 5.539 102 HG2 LYS 13 2HG LYS 13 -11.220 -6.573 3.195 103 HG3 LYS 13 1HG LYS 13 -10.200 -8.005 3.356 104 HD2 LYS 13 2HD LYS 13 -11.629 -8.886 5.083 105 HD3 LYS 13 1HD LYS 13 -12.572 -7.393 5.114 106 HE2 LYS 13 2HE LYS 13 -13.305 -7.795 2.820 107 HE3 LYS 13 1HE LYS 13 -12.347 -9.273 2.765 108 HZ1 LYS 13 3HZ LYS 13 -14.621 -8.778 4.615 109 HZ2 LYS 13 1HZ LYS 13 -13.724 -10.214 4.494 110 HZ3 LYS 13 2HZ LYS 13 -14.693 -9.713 3.197 111 H SER 14 HN SER 14 -6.583 -4.780 4.619 112 HA SER 14 HA SER 14 -7.263 -3.195 7.003 113 HB2 SER 14 2HB SER 14 -4.491 -3.919 6.050 114 HB3 SER 14 1HB SER 14 -4.961 -3.297 7.630 115 HG SER 14 HG SER 14 -6.194 -5.649 6.851 116 H LYS 15 HN LYS 15 -6.655 -1.005 7.061 117 HA LYS 15 HA LYS 15 -5.993 0.133 4.437 118 HB2 LYS 15 2HB LYS 15 -7.039 2.213 5.241 119 HB3 LYS 15 1HB LYS 15 -8.163 0.866 5.209 120 HG2 LYS 15 2HG LYS 15 -7.885 0.603 7.635 121 HG3 LYS 15 1HG LYS 15 -6.794 1.993 7.647 122 HD2 LYS 15 2HD LYS 15 -8.580 3.414 6.789 123 HD3 LYS 15 1HD LYS 15 -9.667 2.028 6.734 124 HE2 LYS 15 2HE LYS 15 -9.380 1.785 9.193 125 HE3 LYS 15 1HE LYS 15 -8.443 3.282 9.187 126 HZ1 LYS 15 3HZ LYS 15 -11.272 2.990 8.323 127 HZ2 LYS 15 1HZ LYS 15 -10.378 4.428 8.278 128 HZ3 LYS 15 2HZ LYS 15 -10.744 3.704 9.767 129 H VAL 16 HN VAL 16 -4.477 1.834 4.326 130 HA VAL 16 HA VAL 16 -2.819 2.288 6.707 131 HB VAL 16 HB VAL 16 -0.757 1.982 5.356 132 HG11 VAL 16 1HG1 VAL 16 -2.520 -0.451 5.568 133 HG12 VAL 16 2HG1 VAL 16 -1.459 0.193 6.821 134 HG13 VAL 16 3HG1 VAL 16 -0.771 -0.479 5.342 135 HG21 VAL 16 3HG2 VAL 16 -1.713 2.296 3.139 136 HG22 VAL 16 1HG2 VAL 16 -2.630 0.799 3.309 137 HG23 VAL 16 2HG2 VAL 16 -0.868 0.751 3.242 138 H LYS 17 HN LYS 17 -0.998 3.882 6.031 139 HA LYS 17 HA LYS 17 -2.035 5.877 4.139 140 HB2 LYS 17 2HB LYS 17 -2.600 6.720 6.309 141 HB3 LYS 17 1HB LYS 17 -0.999 6.380 6.917 142 HG2 LYS 17 2HG LYS 17 -0.047 8.104 5.545 143 HG3 LYS 17 1HG LYS 17 -1.596 8.375 4.751 144 HD2 LYS 17 2HD LYS 17 -1.157 10.110 6.398 145 HD3 LYS 17 1HD LYS 17 -2.545 9.139 6.882 146 HE2 LYS 17 2HE LYS 17 0.128 8.341 7.899 147 HE3 LYS 17 1HE LYS 17 -0.607 9.793 8.574 148 HZ1 LYS 17 3HZ LYS 17 -2.480 8.558 9.292 149 HZ2 LYS 17 1HZ LYS 17 -1.106 7.701 9.803 150 HZ3 LYS 17 2HZ LYS 17 -1.987 7.173 8.457 151 H VAL 18 HN VAL 18 -0.531 6.904 2.955 152 HA VAL 18 HA VAL 18 2.014 5.609 2.716 153 HB VAL 18 HB VAL 18 1.065 8.129 1.334 154 HG11 VAL 18 1HG1 VAL 18 3.488 7.841 1.255 155 HG12 VAL 18 2HG1 VAL 18 2.774 7.582 -0.336 156 HG13 VAL 18 3HG1 VAL 18 3.283 6.202 0.635 157 HG21 VAL 18 3HG2 VAL 18 0.489 6.669 -0.539 158 HG22 VAL 18 1HG2 VAL 18 -0.443 6.270 0.906 159 HG23 VAL 18 2HG2 VAL 18 0.920 5.259 0.428 160 H ILE 19 HN ILE 19 3.220 5.942 4.503 161 HA ILE 19 HA ILE 19 3.706 8.561 5.573 162 HB ILE 19 HB ILE 19 5.065 5.921 6.112 163 HG12 ILE 19 2HG1 ILE 19 2.733 5.977 6.817 164 HG13 ILE 19 1HG1 ILE 19 3.789 6.006 8.227 165 HG21 ILE 19 1HG2 ILE 19 6.038 6.999 8.090 166 HG22 ILE 19 2HG2 ILE 19 5.367 8.546 7.566 167 HG23 ILE 19 3HG2 ILE 19 6.600 7.743 6.593 168 HD11 ILE 19 3HD1 ILE 19 3.450 8.421 8.418 169 HD12 ILE 19 1HD1 ILE 19 1.928 7.533 8.502 170 HD13 ILE 19 2HD1 ILE 19 2.378 8.376 7.019 171 H GLY 20 HN GLY 20 5.624 6.211 3.689 172 HA2 GLY 20 2HA GLY 20 7.158 8.434 2.617 173 HA3 GLY 20 1HA GLY 20 8.060 7.297 3.596 174 H ILE 21 HN ILE 21 8.814 7.750 1.116 175 HA ILE 21 HA ILE 21 8.135 5.269 -0.314 176 HB ILE 21 HB ILE 21 8.902 7.946 -1.512 177 HG12 ILE 21 2HG1 ILE 21 6.590 7.922 -0.692 178 HG13 ILE 21 1HG1 ILE 21 6.641 7.987 -2.449 179 HG21 ILE 21 1HG2 ILE 21 8.227 5.336 -2.861 180 HG22 ILE 21 2HG2 ILE 21 9.796 6.142 -2.848 181 HG23 ILE 21 3HG2 ILE 21 8.431 6.879 -3.689 182 HD11 ILE 21 3HD1 ILE 21 4.899 6.487 -1.685 183 HD12 ILE 21 1HD1 ILE 21 6.084 5.541 -0.783 184 HD13 ILE 21 2HD1 ILE 21 6.152 5.591 -2.545 185 H VAL 22 HN VAL 22 10.013 4.384 -1.528 186 HA VAL 22 HA VAL 22 12.510 5.007 -0.109 187 HB VAL 22 HB VAL 22 11.962 2.545 -1.767 188 HG11 VAL 22 1HG1 VAL 22 14.311 3.041 -1.391 189 HG12 VAL 22 2HG1 VAL 22 13.828 1.609 -0.481 190 HG13 VAL 22 3HG1 VAL 22 14.026 3.156 0.345 191 HG21 VAL 22 3HG2 VAL 22 10.330 2.630 0.039 192 HG22 VAL 22 1HG2 VAL 22 11.621 2.896 1.211 193 HG23 VAL 22 2HG2 VAL 22 11.525 1.367 0.336 194 HA PRO 23 HA PRO 23 13.011 7.352 -3.992 195 HB2 PRO 23 2HB PRO 23 15.590 7.928 -2.607 196 HB3 PRO 23 1HB PRO 23 14.465 9.038 -3.397 197 HG2 PRO 23 2HG PRO 23 14.549 8.887 -0.757 198 HG3 PRO 23 1HG PRO 23 12.992 9.032 -1.598 199 HD2 PRO 23 2HD PRO 23 14.259 6.634 -0.348 200 HD3 PRO 23 1HD PRO 23 12.553 7.116 -0.384 201 H GLU 24 HN GLU 24 14.461 7.385 -5.751 202 HA GLU 24 HA GLU 24 15.755 6.448 -7.347 203 HB2 GLU 24 2HB GLU 24 17.465 6.687 -5.416 204 HB3 GLU 24 1HB GLU 24 17.300 4.944 -5.258 205 HG2 GLU 24 2HG GLU 24 17.981 4.684 -7.598 206 HG3 GLU 24 1HG GLU 24 18.191 6.431 -7.719 207 H SER 25 HN SER 25 13.688 5.312 -7.711 208 HA SER 25 HA SER 25 14.161 2.452 -7.923 209 HB2 SER 25 2HB SER 25 12.887 2.912 -5.749 210 HB3 SER 25 1HB SER 25 11.571 3.491 -6.755 211 HG SER 25 HG SER 25 11.661 1.163 -6.018 212 H LYS 26 HN LYS 26 12.583 1.461 -9.451 213 HA LYS 26 HA LYS 26 11.925 3.215 -11.619 214 HB2 LYS 26 2HB LYS 26 11.034 0.364 -11.139 215 HB3 LYS 26 1HB LYS 26 10.906 1.240 -12.655 216 HG2 LYS 26 2HG LYS 26 13.462 0.464 -11.271 217 HG3 LYS 26 1HG LYS 26 12.759 -0.325 -12.681 218 HD2 LYS 26 2HD LYS 26 12.963 1.821 -13.912 219 HD3 LYS 26 1HD LYS 26 13.798 2.498 -12.511 220 HE2 LYS 26 2HE LYS 26 14.694 0.178 -14.215 221 HE3 LYS 26 1HE LYS 26 15.426 1.779 -14.135 222 HZ1 LYS 26 3HZ LYS 26 16.721 0.297 -12.826 223 HZ2 LYS 26 1HZ LYS 26 15.364 -0.267 -11.980 224 HZ3 LYS 26 2HZ LYS 26 15.902 1.326 -11.761 225 H VAL 27 HN VAL 27 10.118 1.511 -9.116 226 HA VAL 27 HA VAL 27 7.584 2.434 -10.089 227 HB VAL 27 HB VAL 27 6.643 1.333 -8.079 228 HG11 VAL 27 1HG1 VAL 27 6.952 0.074 -10.133 229 HG12 VAL 27 2HG1 VAL 27 7.261 -0.957 -8.736 230 HG13 VAL 27 3HG1 VAL 27 8.610 -0.311 -9.673 231 HG21 VAL 27 3HG2 VAL 27 9.522 0.651 -7.485 232 HG22 VAL 27 1HG2 VAL 27 8.114 0.001 -6.645 233 HG23 VAL 27 2HG2 VAL 27 8.492 1.720 -6.535 234 H ARG 28 HN ARG 28 9.941 3.595 -7.834 235 HA ARG 28 HA ARG 28 8.497 5.278 -6.200 236 HB2 ARG 28 2HB ARG 28 10.990 4.949 -6.187 237 HB3 ARG 28 1HB ARG 28 11.093 5.990 -7.595 238 HG2 ARG 28 2HG ARG 28 9.846 6.975 -5.060 239 HG3 ARG 28 1HG ARG 28 11.595 6.968 -5.270 240 HD2 ARG 28 2HD ARG 28 11.332 8.325 -7.308 241 HD3 ARG 28 1HD ARG 28 9.592 8.364 -7.038 242 HE ARG 28 HE ARG 28 11.267 9.371 -4.883 243 HH11 ARG 28 1HH1 ARG 28 9.274 10.104 -7.664 244 HH12 ARG 28 2HH1 ARG 28 9.013 11.754 -7.204 245 HH21 ARG 28 1HH2 ARG 28 10.945 11.569 -4.285 246 HH22 ARG 28 2HH2 ARG 28 9.964 12.589 -5.308 247 H ARG 29 HN ARG 29 9.528 5.817 -9.536 248 HA ARG 29 HA ARG 29 8.297 8.376 -9.816 249 HB2 ARG 29 2HB ARG 29 10.160 7.647 -11.240 250 HB3 ARG 29 1HB ARG 29 9.166 6.359 -11.899 251 HG2 ARG 29 2HG ARG 29 9.230 8.096 -13.507 252 HG3 ARG 29 1HG ARG 29 7.622 8.126 -12.780 253 HD2 ARG 29 2HD ARG 29 8.227 9.993 -11.396 254 HD3 ARG 29 1HD ARG 29 9.905 9.901 -11.934 255 HE ARG 29 HE ARG 29 7.679 10.547 -13.768 256 HH11 ARG 29 1HH1 ARG 29 10.878 11.161 -12.478 257 HH12 ARG 29 2HH1 ARG 29 11.239 12.419 -13.613 258 HH21 ARG 29 1HH2 ARG 29 8.157 12.208 -15.279 259 HH22 ARG 29 2HH2 ARG 29 9.687 13.035 -15.192 260 H LYS 30 HN LYS 30 7.386 5.077 -10.622 261 HA LYS 30 HA LYS 30 5.118 5.595 -12.172 262 HB2 LYS 30 2HB LYS 30 6.390 3.444 -11.971 263 HB3 LYS 30 1HB LYS 30 5.628 3.193 -10.412 264 HG2 LYS 30 2HG LYS 30 3.455 3.063 -11.442 265 HG3 LYS 30 1HG LYS 30 4.149 3.442 -13.022 266 HD2 LYS 30 2HD LYS 30 5.451 1.389 -12.961 267 HD3 LYS 30 1HD LYS 30 4.822 1.018 -11.354 268 HE2 LYS 30 2HE LYS 30 3.166 1.294 -13.858 269 HE3 LYS 30 1HE LYS 30 3.673 -0.235 -13.142 270 HZ1 LYS 30 3HZ LYS 30 2.436 0.357 -11.129 271 HZ2 LYS 30 1HZ LYS 30 1.426 0.300 -12.495 272 HZ3 LYS 30 2HZ LYS 30 1.914 1.797 -11.870 273 H ILE 31 HN ILE 31 5.419 4.939 -8.700 274 HA ILE 31 HA ILE 31 2.623 4.923 -8.178 275 HB ILE 31 HB ILE 31 4.916 5.408 -6.261 276 HG12 ILE 31 2HG1 ILE 31 3.458 2.821 -6.829 277 HG13 ILE 31 1HG1 ILE 31 4.967 3.266 -7.618 278 HG21 ILE 31 1HG2 ILE 31 3.351 4.655 -4.533 279 HG22 ILE 31 2HG2 ILE 31 2.074 4.535 -5.742 280 HG23 ILE 31 3HG2 ILE 31 2.767 6.108 -5.345 281 HD11 ILE 31 3HD1 ILE 31 4.574 2.919 -4.660 282 HD12 ILE 31 1HD1 ILE 31 6.087 3.330 -5.465 283 HD13 ILE 31 2HD1 ILE 31 5.335 1.759 -5.749 284 H MET 32 HN MET 32 5.119 7.441 -7.913 285 HA MET 32 HA MET 32 3.307 9.370 -6.839 286 HB2 MET 32 2HB MET 32 6.030 9.260 -7.046 287 HB3 MET 32 1HB MET 32 5.628 10.433 -8.296 288 HG2 MET 32 2HG MET 32 4.387 11.756 -6.660 289 HG3 MET 32 1HG MET 32 4.776 10.580 -5.410 290 HE1 MET 32 3HE MET 32 6.918 13.691 -4.394 291 HE2 MET 32 1HE MET 32 5.727 12.504 -3.857 292 HE3 MET 32 2HE MET 32 5.303 13.680 -5.100 293 H ASP 33 HN ASP 33 4.244 8.377 -10.042 294 HA ASP 33 HA ASP 33 3.132 10.463 -11.550 295 HB2 ASP 33 2HB ASP 33 4.532 8.672 -12.510 296 HB3 ASP 33 1HB ASP 33 3.249 7.506 -12.206 297 H MET 34 HN MET 34 1.733 7.573 -10.130 298 HA MET 34 HA MET 34 -0.871 7.717 -11.100 299 HB2 MET 34 2HB MET 34 0.435 6.556 -8.698 300 HB3 MET 34 1HB MET 34 -1.310 6.723 -8.647 301 HG2 MET 34 2HG MET 34 0.218 5.284 -10.798 302 HG3 MET 34 1HG MET 34 -0.560 4.515 -9.414 303 HE1 MET 34 3HE MET 34 -1.199 3.504 -12.277 304 HE2 MET 34 1HE MET 34 -2.961 3.419 -12.253 305 HE3 MET 34 2HE MET 34 -2.033 2.905 -10.843 306 H GLY 35 HN GLY 35 0.719 9.614 -8.652 307 HA2 GLY 35 2HA GLY 35 -0.133 11.805 -8.133 308 HA3 GLY 35 1HA GLY 35 -1.761 11.175 -8.343 309 H ILE 36 HN ILE 36 0.294 9.056 -6.689 310 HA ILE 36 HA ILE 36 -1.116 9.589 -4.198 311 HB ILE 36 HB ILE 36 0.845 7.376 -4.820 312 HG12 ILE 36 2HG1 ILE 36 -2.178 7.250 -4.821 313 HG13 ILE 36 1HG1 ILE 36 -1.201 7.393 -6.277 314 HG21 ILE 36 1HG2 ILE 36 -0.129 6.267 -2.878 315 HG22 ILE 36 2HG2 ILE 36 -1.178 7.657 -2.603 316 HG23 ILE 36 3HG2 ILE 36 0.570 7.825 -2.436 317 HD11 ILE 36 3HD1 ILE 36 -1.900 5.101 -5.906 318 HD12 ILE 36 1HD1 ILE 36 -1.133 5.109 -4.318 319 HD13 ILE 36 2HD1 ILE 36 -0.147 5.245 -5.774 320 H VAL 37 HN VAL 37 -0.187 10.406 -2.411 321 HA VAL 37 HA VAL 37 2.711 10.841 -2.380 322 HB VAL 37 HB VAL 37 2.369 13.163 -1.534 323 HG11 VAL 37 1HG1 VAL 37 1.873 14.177 -3.725 324 HG12 VAL 37 2HG1 VAL 37 1.335 12.602 -4.309 325 HG13 VAL 37 3HG1 VAL 37 3.018 12.841 -3.835 326 HG21 VAL 37 3HG2 VAL 37 -0.468 12.740 -2.457 327 HG22 VAL 37 1HG2 VAL 37 0.228 14.275 -1.940 328 HG23 VAL 37 2HG2 VAL 37 0.062 12.950 -0.789 329 H ARG 38 HN ARG 38 3.161 12.054 -0.112 330 HA ARG 38 HA ARG 38 2.538 10.163 1.890 331 HB2 ARG 38 2HB ARG 38 4.553 11.636 1.899 332 HB3 ARG 38 1HB ARG 38 3.506 13.001 2.262 333 HG2 ARG 38 2HG ARG 38 2.783 11.762 4.325 334 HG3 ARG 38 1HG ARG 38 4.078 10.611 3.988 335 HD2 ARG 38 2HD ARG 38 4.927 12.187 5.548 336 HD3 ARG 38 1HD ARG 38 5.669 12.547 3.989 337 HE ARG 38 HE ARG 38 3.336 14.103 4.305 338 HH11 ARG 38 1HH1 ARG 38 6.627 13.842 5.465 339 HH12 ARG 38 2HH1 ARG 38 6.727 15.512 5.938 340 HH21 ARG 38 1HH2 ARG 38 3.454 16.285 4.911 341 HH22 ARG 38 2HH2 ARG 38 4.929 16.915 5.588 342 H GLY 39 HN GLY 39 0.883 10.033 3.274 343 HA2 GLY 39 2HA GLY 39 -0.677 11.067 4.785 344 HA3 GLY 39 1HA GLY 39 -0.800 12.418 3.668 345 H THR 40 HN THR 40 -0.939 10.361 1.415 346 HA THR 40 HA THR 40 -3.769 10.278 1.250 347 HB THR 40 HB THR 40 -1.871 8.621 -0.405 348 HG1 THR 40 1HG THR 40 -2.419 11.387 -0.409 349 HG21 THR 40 3HG2 THR 40 -4.267 8.156 -0.699 350 HG22 THR 40 1HG2 THR 40 -3.571 8.896 -2.142 351 HG23 THR 40 2HG2 THR 40 -4.549 9.863 -1.039 352 H GLU 41 HN GLU 41 -5.160 8.498 1.347 353 HA GLU 41 HA GLU 41 -4.239 6.403 3.152 354 HB2 GLU 41 2HB GLU 41 -6.968 7.440 2.415 355 HB3 GLU 41 1HB GLU 41 -6.744 5.951 3.309 356 HG2 GLU 41 2HG GLU 41 -5.523 7.218 5.042 357 HG3 GLU 41 1HG GLU 41 -5.884 8.701 4.159 358 H ILE 42 HN ILE 42 -4.128 4.370 2.632 359 HA ILE 42 HA ILE 42 -4.988 3.555 -0.069 360 HB ILE 42 HB ILE 42 -2.556 2.625 1.463 361 HG12 ILE 42 2HG1 ILE 42 -2.239 4.899 0.652 362 HG13 ILE 42 1HG1 ILE 42 -1.244 3.783 -0.275 363 HG21 ILE 42 1HG2 ILE 42 -3.516 0.885 0.034 364 HG22 ILE 42 2HG2 ILE 42 -1.952 1.425 -0.574 365 HG23 ILE 42 3HG2 ILE 42 -3.437 1.975 -1.350 366 HD11 ILE 42 3HD1 ILE 42 -3.858 4.980 -1.162 367 HD12 ILE 42 1HD1 ILE 42 -2.875 3.851 -2.095 368 HD13 ILE 42 2HD1 ILE 42 -2.249 5.454 -1.707 369 H TYR 43 HN TYR 43 -6.448 1.947 -0.024 370 HA TYR 43 HA TYR 43 -6.730 0.433 2.478 371 HB2 TYR 43 2HB TYR 43 -8.695 1.746 1.448 372 HB3 TYR 43 1HB TYR 43 -8.737 0.476 0.229 373 HD1 TYR 43 2HD TYR 43 -9.133 -1.922 0.993 374 HD2 TYR 43 1HD TYR 43 -9.702 1.433 3.555 375 HE1 TYR 43 2HE TYR 43 -10.516 -3.300 2.488 376 HE2 TYR 43 1HE TYR 43 -11.083 0.058 5.052 377 HH TYR 43 HH TYR 43 -11.168 -3.259 4.947 378 H ILE 44 HN ILE 44 -5.911 -1.530 2.511 379 HA ILE 44 HA ILE 44 -5.189 -2.867 0.040 380 HB ILE 44 HB ILE 44 -4.896 -3.982 2.827 381 HG12 ILE 44 2HG1 ILE 44 -3.862 -1.776 2.838 382 HG13 ILE 44 1HG1 ILE 44 -2.618 -3.020 2.852 383 HG21 ILE 44 1HG2 ILE 44 -4.553 -5.543 0.980 384 HG22 ILE 44 2HG2 ILE 44 -3.041 -5.228 1.834 385 HG23 ILE 44 3HG2 ILE 44 -3.353 -4.457 0.279 386 HD11 ILE 44 3HD1 ILE 44 -2.239 -2.676 0.470 387 HD12 ILE 44 1HD1 ILE 44 -2.024 -1.182 1.383 388 HD13 ILE 44 2HD1 ILE 44 -3.498 -1.441 0.448 389 H GLU 45 HN GLU 45 -6.950 -3.681 -0.956 390 HA GLU 45 HA GLU 45 -9.183 -4.760 0.459 391 HB2 GLU 45 2HB GLU 45 -8.883 -3.708 -2.000 392 HB3 GLU 45 1HB GLU 45 -8.750 -5.409 -2.414 393 HG2 GLU 45 2HG GLU 45 -11.033 -4.458 -0.748 394 HG3 GLU 45 1HG GLU 45 -11.047 -4.211 -2.491 395 H GLY 46 HN GLY 46 -6.456 -6.084 -1.344 396 HA2 GLY 46 2HA GLY 46 -6.031 -8.283 0.270 397 HA3 GLY 46 1HA GLY 46 -7.152 -8.820 -0.977 398 H LYS 47 HN LYS 47 -5.167 -10.249 -1.368 399 HA LYS 47 HA LYS 47 -3.806 -9.051 -3.635 400 HB2 LYS 47 2HB LYS 47 -1.599 -9.751 -3.031 401 HB3 LYS 47 1HB LYS 47 -2.228 -8.803 -1.696 402 HG2 LYS 47 2HG LYS 47 -2.642 -11.709 -1.519 403 HG3 LYS 47 1HG LYS 47 -0.973 -11.158 -1.408 404 HD2 LYS 47 2HD LYS 47 -3.272 -10.224 0.315 405 HD3 LYS 47 1HD LYS 47 -2.002 -11.349 0.804 406 HE2 LYS 47 2HE LYS 47 -0.421 -9.380 0.071 407 HE3 LYS 47 1HE LYS 47 -1.863 -8.402 0.335 408 HZ1 LYS 47 3HZ LYS 47 -0.658 -8.416 2.361 409 HZ2 LYS 47 1HZ LYS 47 -0.443 -10.099 2.316 410 HZ3 LYS 47 2HZ LYS 47 -1.980 -9.447 2.598 411 H ALA 48 HN ALA 48 -2.794 -10.720 -5.017 412 HA ALA 48 HA ALA 48 -4.458 -12.944 -5.440 413 HB1 ALA 48 1HB ALA 48 -1.621 -12.505 -6.371 414 HB2 ALA 48 2HB ALA 48 -3.078 -11.950 -7.198 415 HB3 ALA 48 3HB ALA 48 -2.756 -13.678 -7.037 416 HA PRO 49 HA PRO 49 -3.215 -16.195 -2.740 417 HB2 PRO 49 2HB PRO 49 -2.396 -18.169 -4.540 418 HB3 PRO 49 1HB PRO 49 -4.038 -17.917 -3.947 419 HG2 PRO 49 2HG PRO 49 -2.782 -17.021 -6.497 420 HG3 PRO 49 1HG PRO 49 -4.435 -17.585 -6.194 421 HD2 PRO 49 2HD PRO 49 -3.911 -14.992 -6.535 422 HD3 PRO 49 1HD PRO 49 -5.109 -15.528 -5.335 423 H MET 50 HN MET 50 -0.926 -15.313 -5.257 424 HA MET 50 HA MET 50 1.286 -16.524 -3.784 425 HB2 MET 50 2HB MET 50 1.148 -16.742 -6.262 426 HB3 MET 50 1HB MET 50 1.332 -14.999 -6.393 427 HG2 MET 50 2HG MET 50 3.536 -15.145 -5.367 428 HG3 MET 50 1HG MET 50 3.352 -16.892 -5.212 429 HE1 MET 50 3HE MET 50 5.673 -17.241 -6.470 430 HE2 MET 50 1HE MET 50 5.839 -15.490 -6.597 431 HE3 MET 50 2HE MET 50 6.057 -16.501 -8.024 432 H GLY 51 HN GLY 51 -0.380 -13.647 -3.740 433 HA2 GLY 51 2HA GLY 51 0.114 -11.773 -2.428 434 HA3 GLY 51 1HA GLY 51 1.789 -12.295 -2.343 435 H ASP 52 HN ASP 52 1.038 -12.570 -5.471 436 HA ASP 52 HA ASP 52 1.272 -9.766 -6.214 437 HB2 ASP 52 2HB ASP 52 3.606 -10.498 -6.065 438 HB3 ASP 52 1HB ASP 52 3.253 -11.883 -7.094 439 HA PRO 53 HA PRO 53 0.815 -8.531 -7.583 440 HB2 PRO 53 2HB PRO 53 -1.292 -7.323 -8.709 441 HB3 PRO 53 1HB PRO 53 0.061 -7.916 -9.680 442 HG2 PRO 53 2HG PRO 53 -2.628 -9.142 -9.229 443 HG3 PRO 53 1HG PRO 53 -1.678 -9.046 -10.721 444 HD2 PRO 53 2HD PRO 53 -1.807 -11.266 -9.086 445 HD3 PRO 53 1HD PRO 53 -0.481 -10.920 -10.212 446 H ILE 54 HN ILE 54 -0.626 -6.738 -6.583 447 HA ILE 54 HA ILE 54 -2.331 -7.987 -4.505 448 HB ILE 54 HB ILE 54 -0.816 -5.383 -4.225 449 HG12 ILE 54 2HG1 ILE 54 0.063 -8.124 -3.286 450 HG13 ILE 54 1HG1 ILE 54 0.775 -7.246 -4.636 451 HG21 ILE 54 1HG2 ILE 54 -2.024 -7.258 -2.196 452 HG22 ILE 54 2HG2 ILE 54 -2.680 -5.698 -2.694 453 HG23 ILE 54 3HG2 ILE 54 -1.144 -5.773 -1.828 454 HD11 ILE 54 3HD1 ILE 54 2.153 -7.039 -2.664 455 HD12 ILE 54 1HD1 ILE 54 0.788 -6.397 -1.750 456 HD13 ILE 54 2HD1 ILE 54 1.464 -5.471 -3.090 457 H ALA 55 HN ALA 55 -4.315 -6.999 -4.049 458 HA ALA 55 HA ALA 55 -5.220 -5.052 -6.040 459 HB1 ALA 55 1HB ALA 55 -7.479 -5.629 -5.301 460 HB2 ALA 55 2HB ALA 55 -6.806 -6.701 -4.073 461 HB3 ALA 55 3HB ALA 55 -6.574 -7.061 -5.784 462 H LEU 56 HN LEU 56 -5.025 -2.983 -5.480 463 HA LEU 56 HA LEU 56 -5.305 -2.272 -2.627 464 HB2 LEU 56 2HB LEU 56 -3.603 -0.819 -4.631 465 HB3 LEU 56 1HB LEU 56 -3.603 -0.635 -2.891 466 HG LEU 56 HG LEU 56 -2.679 -3.126 -4.320 467 HD11 LEU 56 1HD1 LEU 56 -0.413 -2.384 -3.782 468 HD12 LEU 56 2HD1 LEU 56 -1.058 -0.871 -3.141 469 HD13 LEU 56 3HD1 LEU 56 -1.224 -1.245 -4.857 470 HD21 LEU 56 3HD2 LEU 56 -3.459 -3.536 -2.064 471 HD22 LEU 56 1HD2 LEU 56 -2.453 -2.224 -1.453 472 HD23 LEU 56 2HD2 LEU 56 -1.701 -3.667 -2.135 473 H ARG 57 HN ARG 57 -6.697 -0.673 -2.162 474 HA ARG 57 HA ARG 57 -7.947 0.774 -4.366 475 HB2 ARG 57 2HB ARG 57 -9.387 -0.207 -2.592 476 HB3 ARG 57 1HB ARG 57 -8.596 0.811 -1.405 477 HG2 ARG 57 2HG ARG 57 -9.971 2.046 -3.752 478 HG3 ARG 57 1HG ARG 57 -10.903 1.499 -2.358 479 HD2 ARG 57 2HD ARG 57 -9.504 2.918 -0.904 480 HD3 ARG 57 1HD ARG 57 -8.639 3.494 -2.326 481 HE ARG 57 HE ARG 57 -11.243 4.051 -2.875 482 HH11 ARG 57 1HH1 ARG 57 -9.106 4.774 -0.212 483 HH12 ARG 57 2HH1 ARG 57 -9.891 6.269 0.197 484 HH21 ARG 57 1HH2 ARG 57 -12.281 6.041 -2.372 485 HH22 ARG 57 2HH2 ARG 57 -11.701 6.984 -1.031 486 H LEU 58 HN LEU 58 -6.663 2.344 -5.056 487 HA LEU 58 HA LEU 58 -5.623 4.267 -3.116 488 HB2 LEU 58 2HB LEU 58 -3.451 4.283 -4.454 489 HB3 LEU 58 1HB LEU 58 -3.711 2.959 -3.341 490 HG LEU 58 HG LEU 58 -4.478 1.596 -5.362 491 HD11 LEU 58 1HD1 LEU 58 -3.644 2.305 -7.538 492 HD12 LEU 58 2HD1 LEU 58 -3.115 3.838 -6.845 493 HD13 LEU 58 3HD1 LEU 58 -4.833 3.447 -6.914 494 HD21 LEU 58 3HD2 LEU 58 -1.624 2.552 -5.220 495 HD22 LEU 58 1HD2 LEU 58 -2.179 1.069 -5.997 496 HD23 LEU 58 2HD2 LEU 58 -2.343 1.265 -4.252 497 H ARG 59 HN ARG 59 -5.035 6.298 -4.037 498 HA ARG 59 HA ARG 59 -5.229 8.104 -5.391 499 HB2 ARG 59 2HB ARG 59 -4.458 6.277 -7.136 500 HB3 ARG 59 1HB ARG 59 -6.100 6.453 -7.730 501 HG2 ARG 59 2HG ARG 59 -4.201 8.759 -7.402 502 HG3 ARG 59 1HG ARG 59 -4.360 7.832 -8.893 503 HD2 ARG 59 2HD ARG 59 -6.698 8.458 -9.056 504 HD3 ARG 59 1HD ARG 59 -6.591 9.331 -7.528 505 HE ARG 59 HE ARG 59 -4.661 10.301 -9.357 506 HH11 ARG 59 1HH1 ARG 59 -8.111 10.363 -8.719 507 HH12 ARG 59 2HH1 ARG 59 -8.341 11.922 -9.463 508 HH21 ARG 59 1HH2 ARG 59 -4.971 12.353 -10.331 509 HH22 ARG 59 2HH2 ARG 59 -6.569 13.034 -10.388 510 H GLY 60 HN GLY 60 -7.769 5.690 -5.900 511 HA2 GLY 60 2HA GLY 60 -9.836 7.215 -4.836 512 HA3 GLY 60 1HA GLY 60 -9.827 7.510 -6.570 513 H TYR 61 HN TYR 61 -8.699 4.624 -6.787 514 HA TYR 61 HA TYR 61 -11.215 3.198 -6.334 515 HB2 TYR 61 2HB TYR 61 -10.992 2.201 -8.642 516 HB3 TYR 61 1HB TYR 61 -11.458 3.892 -8.596 517 HD1 TYR 61 2HD TYR 61 -8.784 1.530 -9.440 518 HD2 TYR 61 1HD TYR 61 -9.951 5.625 -9.410 519 HE1 TYR 61 2HE TYR 61 -6.903 2.073 -10.923 520 HE2 TYR 61 1HE TYR 61 -8.072 6.176 -10.898 521 HH TYR 61 HH TYR 61 -5.952 5.326 -11.584 522 H SER 62 HN SER 62 -10.974 0.840 -6.764 523 HA SER 62 HA SER 62 -8.517 -0.144 -5.643 524 HB2 SER 62 2HB SER 62 -10.729 -1.867 -6.676 525 HB3 SER 62 1HB SER 62 -9.686 -2.113 -5.288 526 HG SER 62 HG SER 62 -11.710 -1.508 -4.545 527 H LEU 63 HN LEU 63 -6.885 -0.935 -6.750 528 HA LEU 63 HA LEU 63 -7.217 -1.996 -9.450 529 HB2 LEU 63 2HB LEU 63 -6.724 0.403 -9.735 530 HB3 LEU 63 1HB LEU 63 -5.289 0.225 -8.746 531 HG LEU 63 HG LEU 63 -4.376 -1.343 -10.465 532 HD11 LEU 63 1HD1 LEU 63 -6.481 -2.028 -11.477 533 HD12 LEU 63 2HD1 LEU 63 -5.391 -1.346 -12.684 534 HD13 LEU 63 3HD1 LEU 63 -6.739 -0.388 -12.072 535 HD21 LEU 63 3HD2 LEU 63 -5.074 1.430 -11.421 536 HD22 LEU 63 1HD2 LEU 63 -3.777 0.413 -12.049 537 HD23 LEU 63 2HD2 LEU 63 -3.710 1.002 -10.388 538 H SER 64 HN SER 64 -5.512 -3.445 -10.024 539 HA SER 64 HA SER 64 -4.050 -4.379 -7.680 540 HB2 SER 64 2HB SER 64 -5.414 -5.989 -8.994 541 HB3 SER 64 1HB SER 64 -4.346 -5.727 -10.370 542 HG SER 64 HG SER 64 -3.104 -6.370 -7.980 543 H LEU 65 HN LEU 65 -2.004 -4.044 -7.394 544 HA LEU 65 HA LEU 65 -0.312 -3.298 -9.690 545 HB2 LEU 65 2HB LEU 65 -0.237 -2.276 -6.849 546 HB3 LEU 65 1HB LEU 65 1.095 -2.063 -7.965 547 HG LEU 65 HG LEU 65 -0.076 -0.024 -7.967 548 HD11 LEU 65 1HD1 LEU 65 0.551 -0.746 -10.184 549 HD12 LEU 65 2HD1 LEU 65 -0.954 0.172 -10.242 550 HD13 LEU 65 3HD1 LEU 65 -0.986 -1.587 -10.371 551 HD21 LEU 65 3HD2 LEU 65 -2.117 -0.718 -6.883 552 HD22 LEU 65 1HD2 LEU 65 -2.619 -1.594 -8.329 553 HD23 LEU 65 2HD2 LEU 65 -2.493 0.165 -8.363 554 H ARG 66 HN ARG 66 2.078 -3.720 -9.158 555 HA ARG 66 HA ARG 66 2.253 -6.520 -8.528 556 HB2 ARG 66 2HB ARG 66 4.318 -4.483 -9.349 557 HB3 ARG 66 1HB ARG 66 4.708 -6.165 -9.024 558 HG2 ARG 66 2HG ARG 66 2.751 -5.235 -11.115 559 HG3 ARG 66 1HG ARG 66 4.436 -5.659 -11.424 560 HD2 ARG 66 2HD ARG 66 3.954 -7.925 -10.478 561 HD3 ARG 66 1HD ARG 66 2.252 -7.472 -10.401 562 HE ARG 66 HE ARG 66 2.919 -6.987 -12.988 563 HH11 ARG 66 1HH1 ARG 66 3.214 -9.805 -10.903 564 HH12 ARG 66 2HH1 ARG 66 3.117 -10.932 -12.227 565 HH21 ARG 66 1HH2 ARG 66 2.800 -8.442 -14.692 566 HH22 ARG 66 2HH2 ARG 66 2.884 -10.158 -14.394 567 H LYS 67 HN LYS 67 3.572 -7.493 -6.980 568 HA LYS 67 HA LYS 67 3.615 -6.401 -4.394 569 HB2 LYS 67 2HB LYS 67 3.731 -8.803 -4.848 570 HB3 LYS 67 1HB LYS 67 5.299 -8.604 -5.610 571 HG2 LYS 67 2HG LYS 67 6.205 -7.849 -3.428 572 HG3 LYS 67 1HG LYS 67 4.640 -8.217 -2.697 573 HD2 LYS 67 2HD LYS 67 4.855 -10.549 -3.412 574 HD3 LYS 67 1HD LYS 67 6.415 -10.182 -4.148 575 HE2 LYS 67 2HE LYS 67 7.249 -9.507 -1.909 576 HE3 LYS 67 1HE LYS 67 5.712 -10.033 -1.220 577 HZ1 LYS 67 3HZ LYS 67 6.165 -12.266 -2.127 578 HZ2 LYS 67 1HZ LYS 67 7.325 -11.778 -0.993 579 HZ3 LYS 67 2HZ LYS 67 7.691 -11.732 -2.642 580 H SER 68 HN SER 68 5.956 -6.389 -6.987 581 HA SER 68 HA SER 68 8.189 -5.424 -5.610 582 HB2 SER 68 2HB SER 68 7.503 -4.760 -8.474 583 HB3 SER 68 1HB SER 68 9.101 -4.960 -7.755 584 HG SER 68 HG SER 68 8.391 -6.796 -8.989 585 H GLU 69 HN GLU 69 5.428 -3.769 -7.033 586 HA GLU 69 HA GLU 69 6.446 -1.124 -6.747 587 HB2 GLU 69 2HB GLU 69 3.579 -2.079 -6.932 588 HB3 GLU 69 1HB GLU 69 4.131 -0.426 -7.166 589 HG2 GLU 69 2HG GLU 69 5.403 -1.116 -9.125 590 HG3 GLU 69 1HG GLU 69 4.886 -2.783 -8.882 591 H ALA 70 HN ALA 70 4.396 -3.221 -4.819 592 HA ALA 70 HA ALA 70 3.751 -1.357 -2.803 593 HB1 ALA 70 1HB ALA 70 2.960 -3.273 -1.547 594 HB2 ALA 70 2HB ALA 70 3.827 -4.367 -2.626 595 HB3 ALA 70 3HB ALA 70 2.474 -3.413 -3.236 596 H LYS 71 HN LYS 71 6.593 -3.192 -3.424 597 HA LYS 71 HA LYS 71 7.554 -3.350 -0.746 598 HB2 LYS 71 2HB LYS 71 8.341 -4.848 -2.550 599 HB3 LYS 71 1HB LYS 71 9.113 -3.477 -3.336 600 HG2 LYS 71 2HG LYS 71 10.522 -3.172 -1.331 601 HG3 LYS 71 1HG LYS 71 9.799 -4.623 -0.640 602 HD2 LYS 71 2HD LYS 71 10.656 -5.950 -2.499 603 HD3 LYS 71 1HD LYS 71 11.344 -4.497 -3.226 604 HE2 LYS 71 2HE LYS 71 12.091 -5.635 -0.536 605 HE3 LYS 71 1HE LYS 71 13.030 -5.803 -2.018 606 HZ1 LYS 71 3HZ LYS 71 13.630 -3.947 -0.349 607 HZ2 LYS 71 1HZ LYS 71 12.317 -3.119 -1.026 608 HZ3 LYS 71 2HZ LYS 71 13.620 -3.585 -2.004 609 H ASP 72 HN ASP 72 7.535 -0.858 -3.125 610 HA ASP 72 HA ASP 72 9.824 0.534 -1.984 611 HB2 ASP 72 2HB ASP 72 8.994 0.319 -4.522 612 HB3 ASP 72 1HB ASP 72 8.136 1.789 -4.084 613 H ILE 73 HN ILE 73 6.623 0.303 -1.252 614 HA ILE 73 HA ILE 73 6.348 3.119 -0.455 615 HB ILE 73 HB ILE 73 4.173 1.028 -0.405 616 HG12 ILE 73 2HG1 ILE 73 4.783 2.992 -2.629 617 HG13 ILE 73 1HG1 ILE 73 5.044 1.253 -2.708 618 HG21 ILE 73 1HG2 ILE 73 4.127 4.042 -0.401 619 HG22 ILE 73 2HG2 ILE 73 3.746 2.979 0.953 620 HG23 ILE 73 3HG2 ILE 73 2.701 3.007 -0.467 621 HD11 ILE 73 3HD1 ILE 73 2.386 2.625 -2.386 622 HD12 ILE 73 1HD1 ILE 73 2.642 0.882 -2.461 623 HD13 ILE 73 2HD1 ILE 73 3.011 1.891 -3.861 624 H LEU 74 HN LEU 74 6.637 3.624 1.631 625 HA LEU 74 HA LEU 74 6.423 1.500 3.651 626 HB2 LEU 74 2HB LEU 74 7.608 4.272 3.899 627 HB3 LEU 74 1HB LEU 74 7.641 3.023 5.119 628 HG LEU 74 HG LEU 74 9.044 2.882 2.452 629 HD11 LEU 74 1HD1 LEU 74 11.090 3.071 3.776 630 HD12 LEU 74 2HD1 LEU 74 10.126 3.287 5.238 631 HD13 LEU 74 3HD1 LEU 74 10.069 4.498 3.957 632 HD21 LEU 74 3HD2 LEU 74 8.321 0.687 3.270 633 HD22 LEU 74 1HD2 LEU 74 9.130 0.997 4.806 634 HD23 LEU 74 2HD2 LEU 74 10.076 0.858 3.323 635 H VAL 75 HN VAL 75 4.581 1.402 4.727 636 HA VAL 75 HA VAL 75 3.009 3.863 5.110 637 HB VAL 75 HB VAL 75 0.940 2.514 4.721 638 HG11 VAL 75 1HG1 VAL 75 1.808 3.978 2.973 639 HG12 VAL 75 2HG1 VAL 75 1.075 2.531 2.280 640 HG13 VAL 75 3HG1 VAL 75 2.830 2.670 2.377 641 HG21 VAL 75 3HG2 VAL 75 2.900 0.461 3.698 642 HG22 VAL 75 1HG2 VAL 75 1.152 0.398 3.474 643 HG23 VAL 75 2HG2 VAL 75 1.838 0.295 5.096 644 H GLU 76 HN GLU 76 1.762 3.957 6.973 645 HA GLU 76 HA GLU 76 2.250 1.851 8.947 646 HB2 GLU 76 2HB GLU 76 1.330 3.445 10.602 647 HB3 GLU 76 1HB GLU 76 2.735 4.083 9.764 648 HG2 GLU 76 2HG GLU 76 1.363 5.486 8.398 649 HG3 GLU 76 1HG GLU 76 -0.105 4.745 9.032 650 H VAL 77 HN VAL 77 0.599 0.681 9.844 651 HA VAL 77 HA VAL 77 -1.719 0.365 8.206 652 HB VAL 77 HB VAL 77 -1.125 -0.920 10.879 653 HG11 VAL 77 1HG1 VAL 77 -3.452 -1.113 10.217 654 HG12 VAL 77 2HG1 VAL 77 -2.643 -2.676 10.098 655 HG13 VAL 77 3HG1 VAL 77 -2.972 -1.738 8.640 656 HG21 VAL 77 3HG2 VAL 77 0.689 -1.321 9.293 657 HG22 VAL 77 1HG2 VAL 77 -0.472 -1.904 8.102 658 HG23 VAL 77 2HG2 VAL 77 -0.224 -2.798 9.602 659 H LEU 78 HN LEU 78 -3.418 1.648 8.316 660 HA LEU 78 HA LEU 78 -3.968 3.156 10.722 661 HB2 LEU 78 2HB LEU 78 -5.173 3.194 7.974 662 HB3 LEU 78 1HB LEU 78 -5.831 4.130 9.303 663 HG LEU 78 HG LEU 78 -3.067 4.408 8.122 664 HD11 LEU 78 1HD1 LEU 78 -5.426 6.283 8.108 665 HD12 LEU 78 2HD1 LEU 78 -4.872 5.321 6.738 666 HD13 LEU 78 3HD1 LEU 78 -3.840 6.590 7.399 667 HD21 LEU 78 3HD2 LEU 78 -2.798 6.285 9.654 668 HD22 LEU 78 1HD2 LEU 78 -3.050 4.781 10.540 669 HD23 LEU 78 2HD2 LEU 78 -4.371 5.937 10.372 670 H LEU 79 HN LEU 79 -4.877 0.200 9.462 671 HA LEU 79 HA LEU 79 -7.328 0.006 10.900 672 HB2 LEU 79 2HB LEU 79 -6.887 -1.533 9.052 673 HB3 LEU 79 1HB LEU 79 -5.457 -2.135 9.870 674 HG LEU 79 HG LEU 79 -6.903 -2.986 11.685 675 HD11 LEU 79 1HD1 LEU 79 -9.153 -2.222 9.836 676 HD12 LEU 79 2HD1 LEU 79 -8.787 -1.466 11.386 677 HD13 LEU 79 3HD1 LEU 79 -9.308 -3.151 11.329 678 HD21 LEU 79 3HD2 LEU 79 -7.811 -4.881 10.419 679 HD22 LEU 79 1HD2 LEU 79 -6.170 -4.477 9.916 680 HD23 LEU 79 2HD2 LEU 79 -7.544 -3.995 8.919 681 H GLU 80 HN GLU 80 -6.920 0.765 12.926 682 HA GLU 80 HA GLU 80 -4.428 0.377 14.199 683 HB2 GLU 80 2HB GLU 80 -7.018 1.491 15.272 684 HB3 GLU 80 1HB GLU 80 -5.457 1.608 16.076 685 HG2 GLU 80 2HG GLU 80 -4.582 3.011 14.391 686 HG3 GLU 80 1HG GLU 80 -5.936 2.681 13.310 687 H HIS 81 HN HIS 81 -3.934 -1.659 14.668 688 HA HIS 81 HA HIS 81 -5.500 -2.851 16.844 689 HB2 HIS 81 2HB HIS 81 -4.749 -5.088 16.122 690 HB3 HIS 81 1HB HIS 81 -5.707 -4.297 14.882 691 HD1 HIS 81 1HD HIS 81 -2.480 -5.907 15.468 692 HD2 HIS 81 2HD HIS 81 -4.130 -3.370 12.626 693 HE1 HIS 81 1HE HIS 81 -0.943 -6.022 13.495 694 HE2 HIS 81 2HE HIS 81 -2.129 -4.720 11.703 695 H HIS 82 HN HIS 82 -4.408 -3.272 18.670 696 HA HIS 82 HA HIS 82 -1.804 -2.019 18.850 697 HB2 HIS 82 2HB HIS 82 -3.729 -1.696 20.489 698 HB3 HIS 82 1HB HIS 82 -3.361 -3.307 21.092 699 HD1 HIS 82 1HD HIS 82 -1.694 -3.416 22.918 700 HD2 HIS 82 2HD HIS 82 -1.428 0.126 20.768 701 HE1 HIS 82 1HE HIS 82 -0.004 -2.014 24.139 702 HE2 HIS 82 2HE HIS 82 -0.021 0.203 22.936 703 H HIS 83 HN HIS 83 -1.328 -4.100 17.355 704 HA HIS 83 HA HIS 83 0.322 -5.803 19.045 705 HB2 HIS 83 2HB HIS 83 -1.604 -6.962 17.010 706 HB3 HIS 83 1HB HIS 83 -0.382 -7.868 17.890 707 HD1 HIS 83 1HD HIS 83 -0.789 -8.082 20.530 708 HD2 HIS 83 2HD HIS 83 -4.010 -6.698 18.295 709 HE1 HIS 83 1HE HIS 83 -2.809 -8.349 22.010 710 HE2 HIS 83 2HE HIS 83 -4.766 -7.661 20.572 711 H HIS 84 HN HIS 84 2.290 -5.545 18.216 712 HA HIS 84 HA HIS 84 2.570 -4.717 15.445 713 HB2 HIS 84 2HB HIS 84 4.193 -4.527 17.879 714 HB3 HIS 84 1HB HIS 84 5.125 -4.882 16.429 715 HD1 HIS 84 1HD HIS 84 5.879 -2.886 15.177 716 HD2 HIS 84 2HD HIS 84 2.435 -2.133 17.407 717 HE1 HIS 84 1HE HIS 84 5.369 -0.438 14.853 718 HE2 HIS 84 2HE HIS 84 3.318 0.013 16.250 719 H HIS 85 HN HIS 85 3.109 -5.986 13.818 720 HA HIS 85 HA HIS 85 4.230 -8.637 14.294 721 HB2 HIS 85 2HB HIS 85 3.473 -7.185 11.744 722 HB3 HIS 85 1HB HIS 85 4.202 -8.785 11.773 723 HD1 HIS 85 1HD HIS 85 2.707 -10.758 12.485 724 HD2 HIS 85 2HD HIS 85 0.772 -7.078 12.452 725 HE1 HIS 85 1HE HIS 85 0.250 -11.282 12.642 726 HE2 HIS 85 2HE HIS 85 -0.904 -9.049 12.438 727 H HIS 86 HN HIS 86 5.028 -5.555 12.839 728 HA HIS 86 HA HIS 86 7.859 -6.014 13.369 729 HB2 HIS 86 2HB HIS 86 7.450 -6.670 10.993 730 HB3 HIS 86 1HB HIS 86 6.802 -5.063 10.686 731 HD1 HIS 86 1HD HIS 86 9.978 -6.956 10.957 732 HD2 HIS 86 2HD HIS 86 8.764 -2.985 10.645 733 HE1 HIS 86 1HE HIS 86 12.039 -5.658 10.337 734 HE2 HIS 86 2HE HIS 86 11.270 -3.277 10.056 Start of MODEL 9 1 H1 MET 1 H1 MET 1 2.839 7.056 18.035 2 H2 MET 1 H2 MET 1 3.608 6.161 19.249 3 H3 MET 1 H3 MET 1 2.429 5.428 18.274 4 HA MET 1 HA MET 1 5.129 6.332 17.476 5 HB2 MET 1 2HB MET 1 3.762 3.634 17.419 6 HB3 MET 1 1HB MET 1 5.340 3.964 16.727 7 HG2 MET 1 2HG MET 1 6.227 4.477 18.915 8 HG3 MET 1 1HG MET 1 4.634 4.242 19.635 9 HE1 MET 1 2HE MET 1 7.297 2.738 20.652 10 HE2 MET 1 3HE MET 1 6.625 1.134 20.943 11 HE3 MET 1 1HE MET 1 5.700 2.569 21.382 12 H THR 2 HN THR 2 5.617 6.418 15.325 13 HA THR 2 HA THR 2 3.570 5.719 13.363 14 HB THR 2 HB THR 2 4.961 8.407 13.281 15 HG1 THR 2 1HG THR 2 2.648 7.572 14.530 16 HG21 THR 2 3HG2 THR 2 2.699 7.261 11.634 17 HG22 THR 2 1HG2 THR 2 4.359 7.484 11.085 18 HG23 THR 2 2HG2 THR 2 3.366 8.886 11.480 19 H LYS 3 HN LYS 3 4.794 4.042 12.671 20 HA LYS 3 HA LYS 3 7.571 4.605 11.870 21 HB2 LYS 3 2HB LYS 3 6.222 1.992 12.596 22 HB3 LYS 3 1HB LYS 3 7.889 2.141 12.055 23 HG2 LYS 3 2HG LYS 3 8.422 3.490 14.011 24 HG3 LYS 3 1HG LYS 3 6.744 3.395 14.544 25 HD2 LYS 3 2HD LYS 3 6.932 1.003 14.841 26 HD3 LYS 3 1HD LYS 3 8.568 1.016 14.179 27 HE2 LYS 3 2HE LYS 3 9.291 2.442 16.049 28 HE3 LYS 3 1HE LYS 3 7.660 2.381 16.713 29 HZ1 LYS 3 3HZ LYS 3 9.162 -0.108 16.206 30 HZ2 LYS 3 1HZ LYS 3 7.889 0.159 17.288 31 HZ3 LYS 3 2HZ LYS 3 9.427 0.776 17.627 32 H GLY 4 HN GLY 4 7.728 2.157 10.276 33 HA2 GLY 4 2HA GLY 4 5.704 2.449 8.231 34 HA3 GLY 4 1HA GLY 4 7.294 3.024 7.762 35 H ILE 5 HN ILE 5 5.242 0.382 7.999 36 HA ILE 5 HA ILE 5 7.422 -1.509 7.477 37 HB ILE 5 HB ILE 5 5.757 -3.276 7.578 38 HG12 ILE 5 2HG1 ILE 5 3.710 -1.101 8.070 39 HG13 ILE 5 1HG1 ILE 5 3.890 -1.980 6.559 40 HG21 ILE 5 1HG2 ILE 5 6.731 -2.546 9.681 41 HG22 ILE 5 2HG2 ILE 5 5.061 -3.063 9.918 42 HG23 ILE 5 3HG2 ILE 5 5.453 -1.344 9.874 43 HD11 ILE 5 3HD1 ILE 5 3.321 -4.057 7.705 44 HD12 ILE 5 1HD1 ILE 5 2.046 -2.851 7.874 45 HD13 ILE 5 2HD1 ILE 5 3.142 -3.172 9.218 46 H GLY 6 HN GLY 6 6.974 -3.026 5.543 47 HA2 GLY 6 2HA GLY 6 6.517 -1.328 3.262 48 HA3 GLY 6 1HA GLY 6 6.911 -3.039 3.223 49 H LEU 7 HN LEU 7 4.842 -1.360 1.831 50 HA LEU 7 HA LEU 7 2.279 -2.001 2.788 51 HB2 LEU 7 2HB LEU 7 2.919 -0.302 1.021 52 HB3 LEU 7 1HB LEU 7 3.073 -1.635 -0.102 53 HG LEU 7 HG LEU 7 0.478 -1.238 1.337 54 HD11 LEU 7 1HD1 LEU 7 -0.249 0.219 -0.529 55 HD12 LEU 7 2HD1 LEU 7 1.428 0.306 -1.073 56 HD13 LEU 7 3HD1 LEU 7 0.974 0.964 0.500 57 HD21 LEU 7 3HD2 LEU 7 1.185 -2.227 -1.426 58 HD22 LEU 7 1HD2 LEU 7 -0.428 -2.196 -0.710 59 HD23 LEU 7 2HD2 LEU 7 0.818 -3.245 -0.033 60 H ASN 8 HN ASN 8 4.626 -3.826 1.030 61 HA ASN 8 HA ASN 8 2.947 -5.883 0.034 62 HB2 ASN 8 2HB ASN 8 4.942 -7.071 -0.472 63 HB3 ASN 8 1HB ASN 8 5.339 -5.370 -0.684 64 HD21 ASN 8 1HD2 ASN 8 6.637 -4.341 0.904 65 HD22 ASN 8 2HD2 ASN 8 7.656 -5.258 1.962 66 H GLU 9 HN GLU 9 3.910 -5.084 3.171 67 HA GLU 9 HA GLU 9 3.774 -7.821 4.164 68 HB2 GLU 9 2HB GLU 9 4.563 -5.234 5.506 69 HB3 GLU 9 1HB GLU 9 4.589 -6.805 6.273 70 HG2 GLU 9 2HG GLU 9 6.224 -7.558 4.593 71 HG3 GLU 9 1HG GLU 9 6.237 -5.932 3.919 72 H VAL 10 HN VAL 10 1.669 -5.372 3.545 73 HA VAL 10 HA VAL 10 0.134 -5.419 5.977 74 HB VAL 10 HB VAL 10 -0.678 -4.363 3.263 75 HG11 VAL 10 1HG1 VAL 10 -1.705 -3.662 6.008 76 HG12 VAL 10 2HG1 VAL 10 -2.551 -4.651 4.818 77 HG13 VAL 10 3HG1 VAL 10 -2.233 -2.947 4.485 78 HG21 VAL 10 3HG2 VAL 10 0.077 -2.175 4.063 79 HG22 VAL 10 1HG2 VAL 10 1.408 -3.333 4.001 80 HG23 VAL 10 2HG2 VAL 10 0.666 -2.925 5.548 81 H GLU 11 HN GLU 11 -2.164 -6.055 5.967 82 HA GLU 11 HA GLU 11 -2.414 -8.691 4.708 83 HB2 GLU 11 2HB GLU 11 -2.392 -8.377 7.248 84 HB3 GLU 11 1HB GLU 11 -3.981 -7.656 7.066 85 HG2 GLU 11 2HG GLU 11 -4.876 -9.703 6.214 86 HG3 GLU 11 1HG GLU 11 -3.273 -10.437 6.170 87 H ILE 12 HN ILE 12 -4.896 -9.298 4.558 88 HA ILE 12 HA ILE 12 -5.850 -7.577 2.473 89 HB ILE 12 HB ILE 12 -7.627 -9.256 2.161 90 HG12 ILE 12 2HG1 ILE 12 -6.317 -10.661 4.505 91 HG13 ILE 12 1HG1 ILE 12 -7.905 -9.899 4.531 92 HG21 ILE 12 1HG2 ILE 12 -4.840 -10.370 2.439 93 HG22 ILE 12 2HG2 ILE 12 -5.505 -9.536 1.034 94 HG23 ILE 12 3HG2 ILE 12 -6.145 -11.109 1.511 95 HD11 ILE 12 3HD1 ILE 12 -7.103 -12.265 2.850 96 HD12 ILE 12 1HD1 ILE 12 -8.696 -11.504 2.866 97 HD13 ILE 12 2HD1 ILE 12 -8.088 -12.306 4.314 98 H LYS 13 HN LYS 13 -7.818 -6.569 2.303 99 HA LYS 13 HA LYS 13 -9.473 -5.187 2.931 100 HB2 LYS 13 2HB LYS 13 -9.990 -7.553 4.712 101 HB3 LYS 13 1HB LYS 13 -11.066 -6.159 4.689 102 HG2 LYS 13 2HG LYS 13 -11.322 -6.465 2.241 103 HG3 LYS 13 1HG LYS 13 -10.361 -7.936 2.368 104 HD2 LYS 13 2HD LYS 13 -12.015 -8.983 3.737 105 HD3 LYS 13 1HD LYS 13 -12.923 -7.475 3.890 106 HE2 LYS 13 2HE LYS 13 -13.347 -7.506 1.468 107 HE3 LYS 13 1HE LYS 13 -12.466 -9.027 1.340 108 HZ1 LYS 13 3HZ LYS 13 -14.104 -10.146 2.569 109 HZ2 LYS 13 1HZ LYS 13 -14.958 -9.193 1.454 110 HZ3 LYS 13 2HZ LYS 13 -14.844 -8.707 3.077 111 H SER 14 HN SER 14 -6.913 -4.774 4.183 112 HA SER 14 HA SER 14 -7.819 -3.322 6.582 113 HB2 SER 14 2HB SER 14 -4.984 -4.234 6.090 114 HB3 SER 14 1HB SER 14 -5.691 -3.658 7.596 115 HG SER 14 HG SER 14 -6.748 -5.950 6.353 116 H LYS 15 HN LYS 15 -7.050 -1.154 6.774 117 HA LYS 15 HA LYS 15 -5.926 -0.136 4.265 118 HB2 LYS 15 2HB LYS 15 -6.963 2.043 4.855 119 HB3 LYS 15 1HB LYS 15 -8.106 0.756 4.527 120 HG2 LYS 15 2HG LYS 15 -8.517 0.491 6.907 121 HG3 LYS 15 1HG LYS 15 -7.317 1.740 7.264 122 HD2 LYS 15 2HD LYS 15 -8.632 3.389 6.070 123 HD3 LYS 15 1HD LYS 15 -9.798 2.155 5.591 124 HE2 LYS 15 2HE LYS 15 -10.386 1.805 7.943 125 HE3 LYS 15 1HE LYS 15 -9.219 3.039 8.415 126 HZ1 LYS 15 3HZ LYS 15 -11.536 3.545 6.625 127 HZ2 LYS 15 1HZ LYS 15 -10.480 4.701 7.274 128 HZ3 LYS 15 2HZ LYS 15 -11.541 3.851 8.288 129 H VAL 16 HN VAL 16 -4.217 1.158 4.233 130 HA VAL 16 HA VAL 16 -2.957 1.993 6.754 131 HB VAL 16 HB VAL 16 -0.738 1.280 5.826 132 HG11 VAL 16 1HG1 VAL 16 -0.995 -1.112 6.386 133 HG12 VAL 16 2HG1 VAL 16 -2.747 -0.908 6.351 134 HG13 VAL 16 3HG1 VAL 16 -1.781 -0.047 7.550 135 HG21 VAL 16 3HG2 VAL 16 -2.436 -0.248 3.852 136 HG22 VAL 16 1HG2 VAL 16 -0.695 -0.428 4.065 137 HG23 VAL 16 2HG2 VAL 16 -1.359 1.097 3.479 138 H LYS 17 HN LYS 17 -1.173 3.579 6.291 139 HA LYS 17 HA LYS 17 -1.923 5.167 3.927 140 HB2 LYS 17 2HB LYS 17 -2.729 6.202 5.956 141 HB3 LYS 17 1HB LYS 17 -1.130 6.122 6.664 142 HG2 LYS 17 2HG LYS 17 -0.288 7.750 5.159 143 HG3 LYS 17 1HG LYS 17 -1.738 7.664 4.159 144 HD2 LYS 17 2HD LYS 17 -1.838 9.668 5.469 145 HD3 LYS 17 1HD LYS 17 -3.041 8.538 6.092 146 HE2 LYS 17 2HE LYS 17 -1.437 7.879 7.855 147 HE3 LYS 17 1HE LYS 17 -0.324 9.110 7.262 148 HZ1 LYS 17 3HZ LYS 17 -3.065 9.637 8.274 149 HZ2 LYS 17 1HZ LYS 17 -1.942 10.804 7.765 150 HZ3 LYS 17 2HZ LYS 17 -1.632 9.884 9.157 151 H VAL 18 HN VAL 18 -0.393 6.116 2.768 152 HA VAL 18 HA VAL 18 2.221 4.950 2.864 153 HB VAL 18 HB VAL 18 1.246 7.220 1.116 154 HG11 VAL 18 1HG1 VAL 18 3.080 6.545 -0.374 155 HG12 VAL 18 2HG1 VAL 18 3.603 5.359 0.822 156 HG13 VAL 18 3HG1 VAL 18 3.670 7.080 1.199 157 HG21 VAL 18 3HG2 VAL 18 0.885 5.495 -0.594 158 HG22 VAL 18 1HG2 VAL 18 -0.150 5.257 0.814 159 HG23 VAL 18 2HG2 VAL 18 1.282 4.251 0.592 160 H ILE 19 HN ILE 19 3.204 5.577 4.723 161 HA ILE 19 HA ILE 19 3.382 8.292 5.577 162 HB ILE 19 HB ILE 19 5.136 5.969 6.379 163 HG12 ILE 19 2HG1 ILE 19 2.766 5.471 6.749 164 HG13 ILE 19 1HG1 ILE 19 3.604 5.698 8.279 165 HG21 ILE 19 1HG2 ILE 19 5.543 7.265 8.421 166 HG22 ILE 19 2HG2 ILE 19 4.564 8.583 7.775 167 HG23 ILE 19 3HG2 ILE 19 6.076 8.138 6.984 168 HD11 ILE 19 3HD1 ILE 19 1.409 6.741 8.286 169 HD12 ILE 19 1HD1 ILE 19 1.868 7.735 6.905 170 HD13 ILE 19 2HD1 ILE 19 2.686 7.945 8.454 171 H GLY 20 HN GLY 20 5.479 6.113 3.732 172 HA2 GLY 20 2HA GLY 20 6.817 8.430 2.633 173 HA3 GLY 20 1HA GLY 20 7.846 7.397 3.598 174 H ILE 21 HN ILE 21 8.043 8.071 0.872 175 HA ILE 21 HA ILE 21 7.780 5.430 -0.411 176 HB ILE 21 HB ILE 21 8.017 8.178 -1.654 177 HG12 ILE 21 2HG1 ILE 21 5.645 6.308 -1.506 178 HG13 ILE 21 1HG1 ILE 21 5.835 7.807 -0.604 179 HG21 ILE 21 1HG2 ILE 21 7.542 7.055 -3.794 180 HG22 ILE 21 2HG2 ILE 21 7.583 5.496 -2.971 181 HG23 ILE 21 3HG2 ILE 21 9.043 6.480 -3.068 182 HD11 ILE 21 3HD1 ILE 21 5.619 7.566 -3.595 183 HD12 ILE 21 1HD1 ILE 21 5.807 9.068 -2.693 184 HD13 ILE 21 2HD1 ILE 21 4.347 8.097 -2.495 185 H VAL 22 HN VAL 22 9.685 4.815 -1.754 186 HA VAL 22 HA VAL 22 12.150 5.924 -0.628 187 HB VAL 22 HB VAL 22 11.940 3.520 -0.393 188 HG11 VAL 22 1HG1 VAL 22 11.732 3.428 -3.382 189 HG12 VAL 22 2HG1 VAL 22 10.489 2.983 -2.215 190 HG13 VAL 22 3HG1 VAL 22 11.966 2.028 -2.338 191 HG21 VAL 22 3HG2 VAL 22 14.172 4.389 -0.656 192 HG22 VAL 22 1HG2 VAL 22 14.031 4.308 -2.411 193 HG23 VAL 22 2HG2 VAL 22 14.054 2.824 -1.460 194 HA PRO 23 HA PRO 23 11.954 8.176 -4.581 195 HB2 PRO 23 2HB PRO 23 13.958 9.931 -3.915 196 HB3 PRO 23 1HB PRO 23 12.263 10.147 -3.469 197 HG2 PRO 23 2HG PRO 23 14.523 9.054 -1.844 198 HG3 PRO 23 1HG PRO 23 13.230 10.167 -1.359 199 HD2 PRO 23 2HD PRO 23 13.150 7.560 -0.728 200 HD3 PRO 23 1HD PRO 23 11.677 8.464 -1.135 201 H GLU 24 HN GLU 24 13.554 8.744 -6.227 202 HA GLU 24 HA GLU 24 15.186 8.206 -7.695 203 HB2 GLU 24 2HB GLU 24 16.573 8.666 -5.546 204 HB3 GLU 24 1HB GLU 24 16.784 6.923 -5.501 205 HG2 GLU 24 2HG GLU 24 17.873 6.939 -7.633 206 HG3 GLU 24 1HG GLU 24 17.523 8.654 -7.847 207 H SER 25 HN SER 25 13.196 6.123 -6.417 208 HA SER 25 HA SER 25 14.338 3.646 -7.394 209 HB2 SER 25 2HB SER 25 12.785 3.655 -5.445 210 HB3 SER 25 1HB SER 25 11.510 4.264 -6.485 211 HG SER 25 HG SER 25 11.849 1.820 -6.024 212 H LYS 26 HN LYS 26 13.366 2.434 -9.155 213 HA LYS 26 HA LYS 26 12.650 4.019 -11.412 214 HB2 LYS 26 2HB LYS 26 12.312 1.039 -10.994 215 HB3 LYS 26 1HB LYS 26 12.231 1.875 -12.538 216 HG2 LYS 26 2HG LYS 26 14.657 1.678 -10.768 217 HG3 LYS 26 1HG LYS 26 14.361 0.734 -12.228 218 HD2 LYS 26 2HD LYS 26 14.303 2.827 -13.534 219 HD3 LYS 26 1HD LYS 26 14.677 3.730 -12.064 220 HE2 LYS 26 2HE LYS 26 16.770 2.469 -11.842 221 HE3 LYS 26 1HE LYS 26 16.401 1.610 -13.335 222 HZ1 LYS 26 3HZ LYS 26 16.376 3.819 -14.454 223 HZ2 LYS 26 1HZ LYS 26 17.892 3.360 -13.852 224 HZ3 LYS 26 2HZ LYS 26 16.965 4.505 -13.021 225 H VAL 27 HN VAL 27 10.894 1.977 -9.147 226 HA VAL 27 HA VAL 27 8.372 2.386 -10.455 227 HB VAL 27 HB VAL 27 7.389 1.140 -8.599 228 HG11 VAL 27 1HG1 VAL 27 9.934 -0.087 -9.653 229 HG12 VAL 27 2HG1 VAL 27 8.354 -0.108 -10.438 230 HG13 VAL 27 3HG1 VAL 27 8.598 -0.977 -8.922 231 HG21 VAL 27 3HG2 VAL 27 8.744 2.002 -6.768 232 HG22 VAL 27 1HG2 VAL 27 10.161 1.169 -7.407 233 HG23 VAL 27 2HG2 VAL 27 8.791 0.240 -6.800 234 H ARG 28 HN ARG 28 10.226 4.108 -8.158 235 HA ARG 28 HA ARG 28 8.358 5.434 -6.617 236 HB2 ARG 28 2HB ARG 28 10.942 5.627 -6.696 237 HB3 ARG 28 1HB ARG 28 10.666 6.884 -7.890 238 HG2 ARG 28 2HG ARG 28 9.358 6.991 -5.201 239 HG3 ARG 28 1HG ARG 28 11.012 7.553 -5.437 240 HD2 ARG 28 2HD ARG 28 10.161 9.082 -7.217 241 HD3 ARG 28 1HD ARG 28 8.521 8.589 -6.789 242 HE ARG 28 HE ARG 28 9.254 9.414 -4.449 243 HH11 ARG 28 1HH1 ARG 28 10.127 10.880 -7.508 244 HH12 ARG 28 2HH1 ARG 28 10.413 12.446 -6.819 245 HH21 ARG 28 1HH2 ARG 28 9.603 11.456 -3.555 246 HH22 ARG 28 2HH2 ARG 28 10.094 12.783 -4.566 247 H ARG 29 HN ARG 29 9.374 6.156 -9.945 248 HA ARG 29 HA ARG 29 7.662 8.415 -10.234 249 HB2 ARG 29 2HB ARG 29 9.327 6.768 -12.075 250 HB3 ARG 29 1HB ARG 29 8.075 7.782 -12.777 251 HG2 ARG 29 2HG ARG 29 9.060 9.730 -11.629 252 HG3 ARG 29 1HG ARG 29 10.349 8.687 -11.029 253 HD2 ARG 29 2HD ARG 29 11.169 8.286 -13.211 254 HD3 ARG 29 1HD ARG 29 9.733 8.988 -13.956 255 HE ARG 29 HE ARG 29 10.574 11.126 -12.758 256 HH11 ARG 29 1HH1 ARG 29 12.591 8.687 -14.288 257 HH12 ARG 29 2HH1 ARG 29 13.881 9.803 -14.616 258 HH21 ARG 29 1HH2 ARG 29 12.254 12.578 -13.235 259 HH22 ARG 29 2HH2 ARG 29 13.687 12.001 -14.038 260 H LYS 30 HN LYS 30 7.398 5.007 -11.089 261 HA LYS 30 HA LYS 30 5.029 5.000 -12.526 262 HB2 LYS 30 2HB LYS 30 6.476 3.035 -12.203 263 HB3 LYS 30 1HB LYS 30 5.994 2.956 -10.519 264 HG2 LYS 30 2HG LYS 30 3.661 2.558 -11.249 265 HG3 LYS 30 1HG LYS 30 4.235 2.512 -12.917 266 HD2 LYS 30 2HD LYS 30 5.679 0.622 -12.386 267 HD3 LYS 30 1HD LYS 30 5.151 0.674 -10.702 268 HE2 LYS 30 2HE LYS 30 2.847 0.214 -11.439 269 HE3 LYS 30 1HE LYS 30 3.414 0.119 -13.106 270 HZ1 LYS 30 3HZ LYS 30 4.862 -1.737 -12.419 271 HZ2 LYS 30 1HZ LYS 30 3.214 -2.077 -12.211 272 HZ3 LYS 30 2HZ LYS 30 4.173 -1.690 -10.868 273 H ILE 31 HN ILE 31 5.534 4.850 -9.056 274 HA ILE 31 HA ILE 31 2.842 4.495 -8.297 275 HB ILE 31 HB ILE 31 5.185 5.592 -6.739 276 HG12 ILE 31 2HG1 ILE 31 3.971 2.823 -6.713 277 HG13 ILE 31 1HG1 ILE 31 5.355 3.262 -7.705 278 HG21 ILE 31 1HG2 ILE 31 2.529 4.571 -5.746 279 HG22 ILE 31 2HG2 ILE 31 3.084 6.245 -5.699 280 HG23 ILE 31 3HG2 ILE 31 3.904 5.017 -4.735 281 HD11 ILE 31 3HD1 ILE 31 6.046 2.139 -5.674 282 HD12 ILE 31 1HD1 ILE 31 5.233 3.366 -4.703 283 HD13 ILE 31 2HD1 ILE 31 6.623 3.805 -5.697 284 H MET 32 HN MET 32 4.847 7.455 -8.454 285 HA MET 32 HA MET 32 2.696 9.123 -7.572 286 HB2 MET 32 2HB MET 32 5.415 9.685 -8.719 287 HB3 MET 32 1HB MET 32 4.253 10.984 -8.470 288 HG2 MET 32 2HG MET 32 4.101 10.346 -6.093 289 HG3 MET 32 1HG MET 32 5.341 9.125 -6.367 290 HE1 MET 32 3HE MET 32 5.369 11.518 -4.174 291 HE2 MET 32 1HE MET 32 7.066 11.999 -4.247 292 HE3 MET 32 2HE MET 32 6.631 10.290 -4.270 293 H ASP 33 HN ASP 33 3.882 8.061 -10.684 294 HA ASP 33 HA ASP 33 2.337 9.792 -12.300 295 HB2 ASP 33 2HB ASP 33 4.161 8.465 -13.233 296 HB3 ASP 33 1HB ASP 33 3.322 6.975 -12.823 297 H MET 34 HN MET 34 1.617 6.897 -10.525 298 HA MET 34 HA MET 34 -0.958 6.444 -11.701 299 HB2 MET 34 2HB MET 34 0.682 4.853 -10.334 300 HB3 MET 34 1HB MET 34 -0.286 5.427 -8.982 301 HG2 MET 34 2HG MET 34 -2.296 4.601 -10.015 302 HG3 MET 34 1HG MET 34 -1.401 4.129 -11.459 303 HE1 MET 34 3HE MET 34 1.281 2.940 -10.148 304 HE2 MET 34 1HE MET 34 0.418 2.210 -11.500 305 HE3 MET 34 2HE MET 34 0.852 1.230 -10.098 306 H GLY 35 HN GLY 35 0.306 8.497 -9.253 307 HA2 GLY 35 2HA GLY 35 -1.010 10.420 -8.635 308 HA3 GLY 35 1HA GLY 35 -2.439 9.399 -8.683 309 H ILE 36 HN ILE 36 0.281 7.954 -7.220 310 HA ILE 36 HA ILE 36 -0.994 8.234 -4.602 311 HB ILE 36 HB ILE 36 1.322 6.442 -5.315 312 HG12 ILE 36 2HG1 ILE 36 -1.613 5.717 -5.273 313 HG13 ILE 36 1HG1 ILE 36 -0.696 6.028 -6.740 314 HG21 ILE 36 1HG2 ILE 36 -0.667 6.411 -3.051 315 HG22 ILE 36 2HG2 ILE 36 1.049 6.802 -2.942 316 HG23 ILE 36 3HG2 ILE 36 0.541 5.163 -3.348 317 HD11 ILE 36 3HD1 ILE 36 -0.177 3.827 -4.756 318 HD12 ILE 36 1HD1 ILE 36 0.766 4.136 -6.214 319 HD13 ILE 36 2HD1 ILE 36 -0.925 3.651 -6.344 320 H VAL 37 HN VAL 37 -0.144 9.415 -3.030 321 HA VAL 37 HA VAL 37 2.659 10.287 -3.231 322 HB VAL 37 HB VAL 37 2.010 12.565 -2.464 323 HG11 VAL 37 1HG1 VAL 37 0.816 11.697 -5.093 324 HG12 VAL 37 2HG1 VAL 37 2.488 12.180 -4.808 325 HG13 VAL 37 3HG1 VAL 37 1.188 13.360 -4.639 326 HG21 VAL 37 3HG2 VAL 37 -0.323 13.294 -2.723 327 HG22 VAL 37 1HG2 VAL 37 -0.154 12.051 -1.482 328 HG23 VAL 37 2HG2 VAL 37 -0.794 11.631 -3.070 329 H ARG 38 HN ARG 38 3.066 11.677 -1.033 330 HA ARG 38 HA ARG 38 2.877 9.782 1.071 331 HB2 ARG 38 2HB ARG 38 4.712 11.449 0.879 332 HB3 ARG 38 1HB ARG 38 3.562 12.726 1.247 333 HG2 ARG 38 2HG ARG 38 3.104 11.336 3.395 334 HG3 ARG 38 1HG ARG 38 4.667 10.604 3.032 335 HD2 ARG 38 2HD ARG 38 4.150 13.554 3.360 336 HD3 ARG 38 1HD ARG 38 4.842 12.499 4.589 337 HE ARG 38 HE ARG 38 6.367 12.339 2.215 338 HH11 ARG 38 1HH1 ARG 38 5.650 14.545 4.838 339 HH12 ARG 38 2HH1 ARG 38 7.187 15.351 4.749 340 HH21 ARG 38 1HH2 ARG 38 8.398 13.384 2.114 341 HH22 ARG 38 2HH2 ARG 38 8.762 14.665 3.234 342 H GLY 39 HN GLY 39 1.494 9.643 2.773 343 HA2 GLY 39 2HA GLY 39 -0.090 10.376 4.322 344 HA3 GLY 39 1HA GLY 39 -0.284 11.855 3.402 345 H THR 40 HN THR 40 -0.491 9.554 1.123 346 HA THR 40 HA THR 40 -3.352 9.588 1.039 347 HB THR 40 HB THR 40 -1.737 7.634 -0.537 348 HG1 THR 40 1HG THR 40 -0.559 9.458 -0.937 349 HG21 THR 40 3HG2 THR 40 -4.130 9.336 -1.227 350 HG22 THR 40 1HG2 THR 40 -4.181 7.639 -0.753 351 HG23 THR 40 2HG2 THR 40 -3.397 8.110 -2.261 352 H GLU 41 HN GLU 41 -4.724 8.071 1.772 353 HA GLU 41 HA GLU 41 -3.562 5.758 3.118 354 HB2 GLU 41 2HB GLU 41 -5.895 5.697 4.208 355 HB3 GLU 41 1HB GLU 41 -4.744 6.901 4.752 356 HG2 GLU 41 2HG GLU 41 -5.884 8.511 3.183 357 HG3 GLU 41 1HG GLU 41 -7.134 7.280 2.973 358 H ILE 42 HN ILE 42 -4.032 3.789 2.517 359 HA ILE 42 HA ILE 42 -5.734 3.515 0.125 360 HB ILE 42 HB ILE 42 -3.194 2.017 0.791 361 HG12 ILE 42 2HG1 ILE 42 -3.660 4.146 -1.311 362 HG13 ILE 42 1HG1 ILE 42 -2.797 4.395 0.204 363 HG21 ILE 42 1HG2 ILE 42 -4.792 0.704 -0.503 364 HG22 ILE 42 2HG2 ILE 42 -3.380 1.121 -1.476 365 HG23 ILE 42 3HG2 ILE 42 -4.896 1.996 -1.698 366 HD11 ILE 42 3HD1 ILE 42 -1.096 2.808 -0.483 367 HD12 ILE 42 1HD1 ILE 42 -1.280 4.088 -1.682 368 HD13 ILE 42 2HD1 ILE 42 -1.974 2.494 -1.979 369 H TYR 43 HN TYR 43 -7.261 1.974 0.206 370 HA TYR 43 HA TYR 43 -7.318 0.211 2.526 371 HB2 TYR 43 2HB TYR 43 -9.365 1.510 1.578 372 HB3 TYR 43 1HB TYR 43 -9.397 0.247 0.349 373 HD1 TYR 43 1HD TYR 43 -9.706 -2.164 1.092 374 HD2 TYR 43 2HD TYR 43 -10.231 1.138 3.730 375 HE1 TYR 43 1HE TYR 43 -10.958 -3.606 2.644 376 HE2 TYR 43 2HE TYR 43 -11.484 -0.296 5.285 377 HH TYR 43 HH TYR 43 -11.471 -3.627 5.133 378 H ILE 44 HN ILE 44 -5.987 -1.483 2.267 379 HA ILE 44 HA ILE 44 -5.501 -2.707 -0.279 380 HB ILE 44 HB ILE 44 -4.886 -3.870 2.442 381 HG12 ILE 44 2HG1 ILE 44 -3.899 -1.643 2.317 382 HG13 ILE 44 1HG1 ILE 44 -2.641 -2.866 2.207 383 HG21 ILE 44 1HG2 ILE 44 -4.720 -5.455 0.610 384 HG22 ILE 44 2HG2 ILE 44 -3.122 -5.085 1.256 385 HG23 ILE 44 3HG2 ILE 44 -3.649 -4.360 -0.264 386 HD11 ILE 44 3HD1 ILE 44 -2.194 -1.091 0.656 387 HD12 ILE 44 1HD1 ILE 44 -3.792 -1.272 -0.067 388 HD13 ILE 44 2HD1 ILE 44 -2.598 -2.559 -0.235 389 H GLU 45 HN GLU 45 -7.346 -3.535 -1.152 390 HA GLU 45 HA GLU 45 -9.358 -4.835 0.349 391 HB2 GLU 45 2HB GLU 45 -8.758 -4.855 -2.613 392 HB3 GLU 45 1HB GLU 45 -10.199 -5.564 -1.894 393 HG2 GLU 45 2HG GLU 45 -10.843 -3.378 -1.021 394 HG3 GLU 45 1HG GLU 45 -9.398 -2.670 -1.737 395 H GLY 46 HN GLY 46 -6.614 -6.011 -1.537 396 HA2 GLY 46 2HA GLY 46 -6.131 -8.220 0.045 397 HA3 GLY 46 1HA GLY 46 -7.245 -8.767 -1.200 398 H LYS 47 HN LYS 47 -4.903 -9.985 -1.136 399 HA LYS 47 HA LYS 47 -3.326 -8.761 -3.298 400 HB2 LYS 47 2HB LYS 47 -2.582 -10.862 -1.251 401 HB3 LYS 47 1HB LYS 47 -1.550 -10.384 -2.591 402 HG2 LYS 47 2HG LYS 47 -1.252 -8.213 -1.712 403 HG3 LYS 47 1HG LYS 47 -2.549 -8.434 -0.539 404 HD2 LYS 47 2HD LYS 47 -0.007 -10.053 -0.548 405 HD3 LYS 47 1HD LYS 47 -0.235 -8.588 0.412 406 HE2 LYS 47 2HE LYS 47 -2.174 -9.647 1.508 407 HE3 LYS 47 1HE LYS 47 -1.873 -11.118 0.587 408 HZ1 LYS 47 3HZ LYS 47 0.202 -11.417 1.688 409 HZ2 LYS 47 1HZ LYS 47 -0.976 -11.156 2.880 410 HZ3 LYS 47 2HZ LYS 47 0.096 -9.911 2.457 411 H ALA 48 HN ALA 48 -2.480 -10.351 -4.919 412 HA ALA 48 HA ALA 48 -4.484 -12.106 -5.886 413 HB1 ALA 48 1HB ALA 48 -2.812 -12.789 -7.526 414 HB2 ALA 48 2HB ALA 48 -1.545 -12.010 -6.580 415 HB3 ALA 48 3HB ALA 48 -2.807 -11.036 -7.332 416 HA PRO 49 HA PRO 49 -4.063 -16.068 -3.971 417 HB2 PRO 49 2HB PRO 49 -2.717 -17.024 -6.472 418 HB3 PRO 49 1HB PRO 49 -3.995 -17.791 -5.520 419 HG2 PRO 49 2HG PRO 49 -4.570 -16.489 -7.772 420 HG3 PRO 49 1HG PRO 49 -5.643 -16.401 -6.363 421 HD2 PRO 49 2HD PRO 49 -3.817 -14.353 -7.480 422 HD3 PRO 49 1HD PRO 49 -5.309 -14.146 -6.543 423 H MET 50 HN MET 50 -1.145 -15.408 -5.946 424 HA MET 50 HA MET 50 0.504 -16.826 -4.031 425 HB2 MET 50 2HB MET 50 0.856 -16.948 -6.510 426 HB3 MET 50 1HB MET 50 1.364 -15.266 -6.468 427 HG2 MET 50 2HG MET 50 3.229 -15.838 -5.025 428 HG3 MET 50 1HG MET 50 2.709 -17.523 -4.996 429 HE1 MET 50 3HE MET 50 5.970 -17.680 -7.154 430 HE2 MET 50 1HE MET 50 5.112 -18.345 -5.763 431 HE3 MET 50 2HE MET 50 5.663 -16.670 -5.741 432 H GLY 51 HN GLY 51 -0.665 -13.691 -4.333 433 HA2 GLY 51 2HA GLY 51 -0.267 -12.132 -2.550 434 HA3 GLY 51 1HA GLY 51 1.379 -12.732 -2.444 435 H ASP 52 HN ASP 52 0.630 -12.445 -5.644 436 HA ASP 52 HA ASP 52 1.194 -9.615 -5.914 437 HB2 ASP 52 2HB ASP 52 3.445 -10.439 -5.691 438 HB3 ASP 52 1HB ASP 52 3.130 -11.755 -6.818 439 HA PRO 53 HA PRO 53 1.106 -8.139 -7.228 440 HB2 PRO 53 2HB PRO 53 -0.679 -6.548 -8.413 441 HB3 PRO 53 1HB PRO 53 0.655 -7.261 -9.327 442 HG2 PRO 53 2HG PRO 53 -2.213 -8.102 -9.194 443 HG3 PRO 53 1HG PRO 53 -1.134 -8.011 -10.598 444 HD2 PRO 53 2HD PRO 53 -1.708 -10.327 -9.207 445 HD3 PRO 53 1HD PRO 53 -0.262 -10.081 -10.204 446 H ILE 54 HN ILE 54 -0.582 -6.149 -6.526 447 HA ILE 54 HA ILE 54 -2.401 -7.405 -4.566 448 HB ILE 54 HB ILE 54 -0.797 -4.868 -4.167 449 HG12 ILE 54 2HG1 ILE 54 -0.352 -7.627 -3.005 450 HG13 ILE 54 1HG1 ILE 54 0.640 -6.876 -4.249 451 HG21 ILE 54 1HG2 ILE 54 -2.884 -4.902 -2.913 452 HG22 ILE 54 2HG2 ILE 54 -1.501 -5.064 -1.830 453 HG23 ILE 54 3HG2 ILE 54 -2.467 -6.480 -2.243 454 HD11 ILE 54 3HD1 ILE 54 0.298 -5.887 -1.427 455 HD12 ILE 54 1HD1 ILE 54 1.298 -5.136 -2.672 456 HD13 ILE 54 2HD1 ILE 54 1.697 -6.745 -2.070 457 H ALA 55 HN ALA 55 -4.365 -6.346 -4.145 458 HA ALA 55 HA ALA 55 -5.134 -4.316 -6.130 459 HB1 ALA 55 1HB ALA 55 -7.438 -4.945 -5.646 460 HB2 ALA 55 2HB ALA 55 -6.884 -6.073 -4.409 461 HB3 ALA 55 3HB ALA 55 -6.489 -6.357 -6.103 462 H LEU 56 HN LEU 56 -5.005 -2.299 -5.420 463 HA LEU 56 HA LEU 56 -5.527 -1.760 -2.559 464 HB2 LEU 56 2HB LEU 56 -3.825 -0.105 -4.409 465 HB3 LEU 56 1HB LEU 56 -4.004 0.097 -2.687 466 HG LEU 56 HG LEU 56 -2.881 -2.198 -2.464 467 HD11 LEU 56 1HD1 LEU 56 -1.402 -2.828 -4.299 468 HD12 LEU 56 2HD1 LEU 56 -2.072 -1.532 -5.291 469 HD13 LEU 56 3HD1 LEU 56 -3.094 -2.884 -4.802 470 HD21 LEU 56 3HD2 LEU 56 -1.821 -0.089 -1.866 471 HD22 LEU 56 1HD2 LEU 56 -1.337 0.155 -3.545 472 HD23 LEU 56 2HD2 LEU 56 -0.661 -1.185 -2.618 473 H ARG 57 HN ARG 57 -7.134 -0.337 -2.141 474 HA ARG 57 HA ARG 57 -8.323 1.029 -4.450 475 HB2 ARG 57 2HB ARG 57 -9.777 -0.464 -3.066 476 HB3 ARG 57 1HB ARG 57 -9.535 0.633 -1.716 477 HG2 ARG 57 2HG ARG 57 -10.551 2.445 -3.020 478 HG3 ARG 57 1HG ARG 57 -10.826 1.317 -4.345 479 HD2 ARG 57 2HD ARG 57 -11.969 1.079 -1.569 480 HD3 ARG 57 1HD ARG 57 -12.838 1.648 -2.991 481 HE ARG 57 HE ARG 57 -11.678 -0.990 -3.262 482 HH11 ARG 57 1HH1 ARG 57 -14.502 0.888 -2.350 483 HH12 ARG 57 2HH1 ARG 57 -15.593 -0.462 -2.485 484 HH21 ARG 57 1HH2 ARG 57 -13.119 -2.760 -3.452 485 HH22 ARG 57 2HH2 ARG 57 -14.813 -2.521 -3.124 486 H LEU 58 HN LEU 58 -7.768 3.052 -4.733 487 HA LEU 58 HA LEU 58 -7.194 4.727 -2.375 488 HB2 LEU 58 2HB LEU 58 -6.087 4.974 -5.173 489 HB3 LEU 58 1HB LEU 58 -5.803 6.118 -3.879 490 HG LEU 58 HG LEU 58 -4.802 4.047 -2.632 491 HD11 LEU 58 1HD1 LEU 58 -4.533 3.198 -5.513 492 HD12 LEU 58 2HD1 LEU 58 -5.512 2.393 -4.287 493 HD13 LEU 58 3HD1 LEU 58 -3.757 2.433 -4.126 494 HD21 LEU 58 3HD2 LEU 58 -3.571 6.045 -3.311 495 HD22 LEU 58 1HD2 LEU 58 -3.385 5.385 -4.935 496 HD23 LEU 58 2HD2 LEU 58 -2.615 4.586 -3.565 497 H ARG 59 HN ARG 59 -8.050 6.785 -2.337 498 HA ARG 59 HA ARG 59 -9.539 8.454 -2.685 499 HB2 ARG 59 2HB ARG 59 -9.426 7.555 -5.575 500 HB3 ARG 59 1HB ARG 59 -10.124 9.065 -5.002 501 HG2 ARG 59 2HG ARG 59 -7.956 9.837 -4.271 502 HG3 ARG 59 1HG ARG 59 -7.231 8.282 -4.683 503 HD2 ARG 59 2HD ARG 59 -7.828 8.647 -7.040 504 HD3 ARG 59 1HD ARG 59 -8.508 10.216 -6.614 505 HE ARG 59 HE ARG 59 -5.942 10.360 -5.708 506 HH11 ARG 59 1HH1 ARG 59 -7.390 9.541 -8.781 507 HH12 ARG 59 2HH1 ARG 59 -6.070 10.164 -9.726 508 HH21 ARG 59 1HH2 ARG 59 -4.187 11.159 -6.924 509 HH22 ARG 59 2HH2 ARG 59 -4.229 11.090 -8.663 510 H GLY 60 HN GLY 60 -10.789 6.277 -5.191 511 HA2 GLY 60 2HA GLY 60 -12.927 5.363 -3.455 512 HA3 GLY 60 1HA GLY 60 -13.430 6.391 -4.790 513 H TYR 61 HN TYR 61 -10.681 4.568 -5.556 514 HA TYR 61 HA TYR 61 -12.188 2.326 -6.616 515 HB2 TYR 61 2HB TYR 61 -11.125 2.725 -8.911 516 HB3 TYR 61 1HB TYR 61 -12.512 3.705 -8.476 517 HD1 TYR 61 2HD TYR 61 -12.135 6.096 -7.750 518 HD2 TYR 61 1HD TYR 61 -9.029 3.698 -9.412 519 HE1 TYR 61 2HE TYR 61 -10.833 8.123 -8.231 520 HE2 TYR 61 1HE TYR 61 -7.723 5.723 -9.897 521 HH TYR 61 HH TYR 61 -8.292 8.217 -10.312 522 H SER 62 HN SER 62 -10.863 0.651 -7.462 523 HA SER 62 HA SER 62 -8.396 0.494 -5.926 524 HB2 SER 62 2HB SER 62 -10.150 -1.235 -5.693 525 HB3 SER 62 1HB SER 62 -9.894 -1.690 -7.371 526 HG SER 62 HG SER 62 -8.551 -2.445 -5.182 527 H LEU 63 HN LEU 63 -6.476 -0.034 -6.709 528 HA LEU 63 HA LEU 63 -6.076 -0.193 -9.626 529 HB2 LEU 63 2HB LEU 63 -4.400 1.330 -7.617 530 HB3 LEU 63 1HB LEU 63 -3.882 0.989 -9.252 531 HG LEU 63 HG LEU 63 -4.598 3.212 -9.296 532 HD11 LEU 63 1HD1 LEU 63 -5.454 1.921 -11.164 533 HD12 LEU 63 2HD1 LEU 63 -6.553 3.233 -10.740 534 HD13 LEU 63 3HD1 LEU 63 -6.933 1.577 -10.266 535 HD21 LEU 63 3HD2 LEU 63 -7.083 2.383 -7.802 536 HD22 LEU 63 1HD2 LEU 63 -6.733 4.006 -8.400 537 HD23 LEU 63 2HD2 LEU 63 -5.720 3.290 -7.146 538 H SER 64 HN SER 64 -4.166 -1.442 -10.229 539 HA SER 64 HA SER 64 -3.407 -3.330 -8.118 540 HB2 SER 64 2HB SER 64 -2.992 -4.810 -10.243 541 HB3 SER 64 1HB SER 64 -4.610 -4.644 -9.579 542 HG SER 64 HG SER 64 -4.641 -2.735 -11.166 543 H LEU 65 HN LEU 65 -1.398 -3.014 -7.467 544 HA LEU 65 HA LEU 65 0.665 -2.616 -9.522 545 HB2 LEU 65 2HB LEU 65 2.024 -1.478 -7.748 546 HB3 LEU 65 1HB LEU 65 0.631 -0.585 -8.309 547 HG LEU 65 HG LEU 65 -0.553 -1.520 -6.212 548 HD11 LEU 65 1HD1 LEU 65 0.922 -1.980 -4.323 549 HD12 LEU 65 2HD1 LEU 65 2.321 -1.905 -5.394 550 HD13 LEU 65 3HD1 LEU 65 1.121 -3.180 -5.600 551 HD21 LEU 65 3HD2 LEU 65 1.657 0.514 -5.992 552 HD22 LEU 65 1HD2 LEU 65 0.316 0.329 -4.861 553 HD23 LEU 65 2HD2 LEU 65 0.004 0.818 -6.526 554 H ARG 66 HN ARG 66 2.891 -3.403 -8.639 555 HA ARG 66 HA ARG 66 2.356 -6.169 -7.949 556 HB2 ARG 66 2HB ARG 66 4.817 -4.754 -8.910 557 HB3 ARG 66 1HB ARG 66 4.820 -6.442 -8.413 558 HG2 ARG 66 2HG ARG 66 2.776 -6.536 -10.100 559 HG3 ARG 66 1HG ARG 66 3.646 -5.170 -10.805 560 HD2 ARG 66 2HD ARG 66 4.788 -7.894 -10.220 561 HD3 ARG 66 1HD ARG 66 4.339 -7.270 -11.800 562 HE ARG 66 HE ARG 66 6.098 -5.438 -11.017 563 HH11 ARG 66 1HH1 ARG 66 6.248 -8.937 -10.911 564 HH12 ARG 66 2HH1 ARG 66 7.984 -8.985 -11.008 565 HH21 ARG 66 1HH2 ARG 66 8.362 -5.494 -11.168 566 HH22 ARG 66 2HH2 ARG 66 9.185 -7.025 -11.193 567 H LYS 67 HN LYS 67 3.788 -7.331 -6.499 568 HA LYS 67 HA LYS 67 3.797 -6.235 -3.898 569 HB2 LYS 67 2HB LYS 67 3.615 -8.651 -4.489 570 HB3 LYS 67 1HB LYS 67 5.308 -8.640 -4.943 571 HG2 LYS 67 2HG LYS 67 4.669 -7.728 -2.208 572 HG3 LYS 67 1HG LYS 67 4.429 -9.439 -2.556 573 HD2 LYS 67 2HD LYS 67 6.788 -9.397 -3.529 574 HD3 LYS 67 1HD LYS 67 6.963 -7.830 -2.737 575 HE2 LYS 67 2HE LYS 67 7.850 -9.675 -1.373 576 HE3 LYS 67 1HE LYS 67 6.515 -8.840 -0.580 577 HZ1 LYS 67 3HZ LYS 67 6.573 -11.416 -0.624 578 HZ2 LYS 67 1HZ LYS 67 5.976 -11.237 -2.199 579 HZ3 LYS 67 2HZ LYS 67 5.102 -10.612 -0.883 580 H SER 68 HN SER 68 6.067 -6.097 -6.476 581 HA SER 68 HA SER 68 8.399 -5.533 -4.959 582 HB2 SER 68 2HB SER 68 7.715 -4.779 -7.812 583 HB3 SER 68 1HB SER 68 9.325 -4.726 -7.093 584 HG SER 68 HG SER 68 8.244 -7.140 -6.673 585 H GLU 69 HN GLU 69 6.111 -3.389 -6.710 586 HA GLU 69 HA GLU 69 7.181 -0.965 -5.789 587 HB2 GLU 69 2HB GLU 69 4.321 -1.638 -6.518 588 HB3 GLU 69 1HB GLU 69 4.918 -0.009 -6.250 589 HG2 GLU 69 2HG GLU 69 4.971 -0.152 -8.527 590 HG3 GLU 69 1HG GLU 69 6.621 -0.613 -8.115 591 H ALA 70 HN ALA 70 4.883 -3.193 -4.396 592 HA ALA 70 HA ALA 70 4.012 -1.615 -2.239 593 HB1 ALA 70 1HB ALA 70 4.169 -4.617 -2.419 594 HB2 ALA 70 2HB ALA 70 2.851 -3.621 -3.035 595 HB3 ALA 70 3HB ALA 70 3.174 -3.685 -1.303 596 H LYS 71 HN LYS 71 6.968 -3.323 -2.759 597 HA LYS 71 HA LYS 71 7.633 -3.453 0.057 598 HB2 LYS 71 2HB LYS 71 8.401 -5.194 -1.524 599 HB3 LYS 71 1HB LYS 71 9.355 -3.986 -2.371 600 HG2 LYS 71 2HG LYS 71 10.727 -3.650 -0.402 601 HG3 LYS 71 1HG LYS 71 9.744 -4.807 0.501 602 HD2 LYS 71 2HD LYS 71 10.404 -6.581 -1.027 603 HD3 LYS 71 1HD LYS 71 11.334 -5.428 -1.984 604 HE2 LYS 71 2HE LYS 71 12.789 -5.006 -0.071 605 HE3 LYS 71 1HE LYS 71 11.857 -6.153 0.894 606 HZ1 LYS 71 3HZ LYS 71 13.366 -6.808 -1.582 607 HZ2 LYS 71 1HZ LYS 71 12.493 -7.908 -0.628 608 HZ3 LYS 71 2HZ LYS 71 13.876 -7.151 0.002 609 H ASP 72 HN ASP 72 7.998 -1.280 -2.571 610 HA ASP 72 HA ASP 72 10.147 0.232 -1.343 611 HB2 ASP 72 2HB ASP 72 8.574 0.525 -3.887 612 HB3 ASP 72 1HB ASP 72 9.654 1.787 -3.327 613 H ILE 73 HN ILE 73 6.775 0.114 -1.183 614 HA ILE 73 HA ILE 73 6.551 2.883 -0.280 615 HB ILE 73 HB ILE 73 4.442 0.762 -0.732 616 HG12 ILE 73 2HG1 ILE 73 5.403 1.737 -2.780 617 HG13 ILE 73 1HG1 ILE 73 3.721 2.214 -2.565 618 HG21 ILE 73 1HG2 ILE 73 4.099 3.621 0.168 619 HG22 ILE 73 2HG2 ILE 73 3.782 2.177 1.130 620 HG23 ILE 73 3HG2 ILE 73 2.794 2.525 -0.288 621 HD11 ILE 73 3HD1 ILE 73 4.458 4.382 -1.706 622 HD12 ILE 73 1HD1 ILE 73 5.055 4.079 -3.336 623 HD13 ILE 73 2HD1 ILE 73 6.137 3.901 -1.954 624 H LEU 74 HN LEU 74 6.735 3.378 1.792 625 HA LEU 74 HA LEU 74 6.496 1.245 3.795 626 HB2 LEU 74 2HB LEU 74 7.688 4.022 3.967 627 HB3 LEU 74 1HB LEU 74 7.605 2.890 5.301 628 HG LEU 74 HG LEU 74 9.165 2.489 2.749 629 HD11 LEU 74 1HD1 LEU 74 11.123 2.691 4.207 630 HD12 LEU 74 2HD1 LEU 74 10.065 3.068 5.567 631 HD13 LEU 74 3HD1 LEU 74 10.160 4.169 4.192 632 HD21 LEU 74 3HD2 LEU 74 10.053 0.500 3.837 633 HD22 LEU 74 1HD2 LEU 74 8.303 0.385 3.656 634 HD23 LEU 74 2HD2 LEU 74 9.003 0.776 5.228 635 H VAL 75 HN VAL 75 4.627 1.109 4.816 636 HA VAL 75 HA VAL 75 2.955 3.528 5.056 637 HB VAL 75 HB VAL 75 0.984 2.008 4.986 638 HG11 VAL 75 1HG1 VAL 75 1.634 3.197 2.980 639 HG12 VAL 75 2HG1 VAL 75 1.060 1.582 2.558 640 HG13 VAL 75 3HG1 VAL 75 2.789 1.929 2.571 641 HG21 VAL 75 3HG2 VAL 75 2.100 -0.049 5.684 642 HG22 VAL 75 1HG2 VAL 75 3.008 -0.076 4.172 643 HG23 VAL 75 2HG2 VAL 75 1.256 -0.273 4.152 644 H GLU 76 HN GLU 76 1.487 3.554 6.865 645 HA GLU 76 HA GLU 76 2.344 1.853 9.108 646 HB2 GLU 76 2HB GLU 76 2.948 4.231 9.453 647 HB3 GLU 76 1HB GLU 76 1.259 4.676 9.256 648 HG2 GLU 76 2HG GLU 76 1.918 4.623 11.597 649 HG3 GLU 76 1HG GLU 76 0.667 3.432 11.248 650 H VAL 77 HN VAL 77 0.750 1.039 10.443 651 HA VAL 77 HA VAL 77 -1.661 0.364 9.061 652 HB VAL 77 HB VAL 77 -0.928 -0.217 11.938 653 HG11 VAL 77 1HG1 VAL 77 -2.466 -2.111 11.699 654 HG12 VAL 77 2HG1 VAL 77 -2.865 -1.573 10.067 655 HG13 VAL 77 3HG1 VAL 77 -3.285 -0.569 11.455 656 HG21 VAL 77 3HG2 VAL 77 -0.089 -2.373 11.116 657 HG22 VAL 77 1HG2 VAL 77 0.819 -1.019 10.440 658 HG23 VAL 77 2HG2 VAL 77 -0.388 -1.850 9.459 659 H LEU 78 HN LEU 78 -3.534 1.416 9.089 660 HA LEU 78 HA LEU 78 -3.852 3.724 10.812 661 HB2 LEU 78 2HB LEU 78 -5.553 2.589 8.604 662 HB3 LEU 78 1HB LEU 78 -5.969 4.022 9.514 663 HG LEU 78 HG LEU 78 -3.529 3.696 7.768 664 HD11 LEU 78 1HD1 LEU 78 -6.046 5.309 7.378 665 HD12 LEU 78 2HD1 LEU 78 -5.599 3.854 6.489 666 HD13 LEU 78 3HD1 LEU 78 -4.638 5.323 6.319 667 HD21 LEU 78 3HD2 LEU 78 -3.141 6.056 8.176 668 HD22 LEU 78 1HD2 LEU 78 -3.143 5.170 9.702 669 HD23 LEU 78 2HD2 LEU 78 -4.550 6.127 9.236 670 H LEU 79 HN LEU 79 -4.440 0.564 11.229 671 HA LEU 79 HA LEU 79 -7.045 0.571 12.315 672 HB2 LEU 79 2HB LEU 79 -4.774 -1.372 12.365 673 HB3 LEU 79 1HB LEU 79 -6.148 -1.618 13.423 674 HG LEU 79 HG LEU 79 -7.631 -1.638 11.421 675 HD11 LEU 79 1HD1 LEU 79 -5.025 -1.618 9.906 676 HD12 LEU 79 2HD1 LEU 79 -6.266 -0.363 9.879 677 HD13 LEU 79 3HD1 LEU 79 -6.610 -1.961 9.213 678 HD21 LEU 79 3HD2 LEU 79 -6.846 -3.708 12.439 679 HD22 LEU 79 1HD2 LEU 79 -5.401 -3.670 11.428 680 HD23 LEU 79 2HD2 LEU 79 -6.990 -3.879 10.690 681 H GLU 80 HN GLU 80 -7.214 -0.423 14.674 682 HA GLU 80 HA GLU 80 -6.145 1.724 16.339 683 HB2 GLU 80 2HB GLU 80 -7.955 0.575 17.945 684 HB3 GLU 80 1HB GLU 80 -8.375 1.788 16.745 685 HG2 GLU 80 2HG GLU 80 -9.931 -0.075 16.698 686 HG3 GLU 80 1HG GLU 80 -9.033 0.042 15.186 687 H HIS 81 HN HIS 81 -4.843 -0.975 15.557 688 HA HIS 81 HA HIS 81 -4.418 -2.259 18.086 689 HB2 HIS 81 2HB HIS 81 -3.052 -2.505 15.407 690 HB3 HIS 81 1HB HIS 81 -2.472 -3.364 16.830 691 HD1 HIS 81 1HD HIS 81 -3.586 -5.536 17.377 692 HD2 HIS 81 2HD HIS 81 -5.740 -3.287 14.615 693 HE1 HIS 81 1HE HIS 81 -5.429 -7.044 16.560 694 HE2 HIS 81 2HE HIS 81 -6.843 -5.583 15.061 695 H HIS 82 HN HIS 82 -3.511 -1.072 19.634 696 HA HIS 82 HA HIS 82 -1.475 0.890 18.973 697 HB2 HIS 82 2HB HIS 82 -2.731 0.192 21.634 698 HB3 HIS 82 1HB HIS 82 -1.605 1.520 21.360 699 HD1 HIS 82 1HD HIS 82 -2.503 3.418 19.627 700 HD2 HIS 82 2HD HIS 82 -5.343 0.823 21.216 701 HE1 HIS 82 1HE HIS 82 -4.734 4.517 19.231 702 HE2 HIS 82 2HE HIS 82 -6.433 2.962 20.255 703 H HIS 83 HN HIS 83 -1.619 -2.344 19.839 704 HA HIS 83 HA HIS 83 1.007 -2.433 21.074 705 HB2 HIS 83 2HB HIS 83 -0.919 -4.066 21.554 706 HB3 HIS 83 1HB HIS 83 -0.559 -4.779 19.987 707 HD1 HIS 83 1HD HIS 83 0.148 -5.239 23.428 708 HD2 HIS 83 2HD HIS 83 2.385 -5.575 19.935 709 HE1 HIS 83 1HE HIS 83 2.108 -6.700 24.014 710 HE2 HIS 83 2HE HIS 83 3.362 -7.015 21.854 711 H HIS 84 HN HIS 84 1.927 -1.209 19.236 712 HA HIS 84 HA HIS 84 2.001 -2.548 16.663 713 HB2 HIS 84 2HB HIS 84 1.760 -0.022 17.018 714 HB3 HIS 84 1HB HIS 84 3.473 -0.029 17.418 715 HD1 HIS 84 1HD HIS 84 5.104 -0.860 15.415 716 HD2 HIS 84 2HD HIS 84 1.190 0.069 14.371 717 HE1 HIS 84 1HE HIS 84 5.122 -0.529 12.925 718 HE2 HIS 84 2HE HIS 84 2.817 0.325 12.381 719 H HIS 85 HN HIS 85 3.088 -4.365 17.882 720 HA HIS 85 HA HIS 85 4.889 -5.723 18.062 721 HB2 HIS 85 2HB HIS 85 5.583 -4.700 15.889 722 HB3 HIS 85 1HB HIS 85 6.504 -3.504 16.789 723 HD1 HIS 85 1HD HIS 85 6.720 -6.855 15.368 724 HD2 HIS 85 2HD HIS 85 8.732 -4.665 18.273 725 HE1 HIS 85 1HE HIS 85 8.885 -8.071 15.755 726 HE2 HIS 85 2HE HIS 85 10.152 -6.649 17.410 727 H HIS 86 HN HIS 86 6.524 -2.583 18.499 728 HA HIS 86 HA HIS 86 6.661 -2.708 21.309 729 HB2 HIS 86 2HB HIS 86 8.143 -4.674 20.703 730 HB3 HIS 86 1HB HIS 86 9.238 -3.524 19.944 731 HD1 HIS 86 1HD HIS 86 10.879 -2.351 21.433 732 HD2 HIS 86 2HD HIS 86 7.892 -4.321 23.555 733 HE1 HIS 86 1HE HIS 86 11.578 -2.249 23.850 734 HE2 HIS 86 2HE HIS 86 9.704 -3.347 25.124 Start of MODEL 10 1 H1 MET 1 H1 MET 1 6.251 6.690 17.104 2 H2 MET 1 H2 MET 1 6.696 8.217 17.690 3 H3 MET 1 H3 MET 1 7.836 6.961 17.642 4 HA MET 1 HA MET 1 6.567 8.264 15.305 5 HB2 MET 1 2HB MET 1 9.450 8.275 16.222 6 HB3 MET 1 1HB MET 1 8.812 9.082 14.798 7 HG2 MET 1 2HG MET 1 7.458 10.528 16.246 8 HG3 MET 1 1HG MET 1 8.157 9.738 17.660 9 HE1 MET 1 2HE MET 1 9.942 13.163 17.879 10 HE2 MET 1 3HE MET 1 9.081 11.901 18.761 11 HE3 MET 1 1HE MET 1 8.255 12.812 17.498 12 H THR 2 HN THR 2 6.118 6.646 13.926 13 HA THR 2 HA THR 2 8.169 4.572 13.571 14 HB THR 2 HB THR 2 6.267 3.311 12.402 15 HG1 THR 2 1HG THR 2 4.189 3.971 12.877 16 HG21 THR 2 3HG2 THR 2 6.088 3.854 15.365 17 HG22 THR 2 1HG2 THR 2 7.134 2.668 14.587 18 HG23 THR 2 2HG2 THR 2 5.382 2.470 14.532 19 H LYS 3 HN LYS 3 9.173 4.362 11.681 20 HA LYS 3 HA LYS 3 8.631 6.232 9.556 21 HB2 LYS 3 2HB LYS 3 10.938 5.543 10.155 22 HB3 LYS 3 1HB LYS 3 10.560 3.903 9.655 23 HG2 LYS 3 2HG LYS 3 10.241 4.650 7.361 24 HG3 LYS 3 1HG LYS 3 10.557 6.316 7.847 25 HD2 LYS 3 2HD LYS 3 12.818 5.742 8.477 26 HD3 LYS 3 1HD LYS 3 12.509 4.038 8.132 27 HE2 LYS 3 2HE LYS 3 13.736 5.087 6.314 28 HE3 LYS 3 1HE LYS 3 12.136 4.575 5.784 29 HZ1 LYS 3 3HZ LYS 3 12.628 6.745 4.927 30 HZ2 LYS 3 1HZ LYS 3 12.962 7.348 6.477 31 HZ3 LYS 3 2HZ LYS 3 11.383 6.885 6.071 32 H GLY 4 HN GLY 4 7.212 3.491 10.508 33 HA2 GLY 4 2HA GLY 4 5.461 2.358 9.505 34 HA3 GLY 4 1HA GLY 4 5.852 3.155 7.991 35 H ILE 5 HN ILE 5 5.177 0.749 7.598 36 HA ILE 5 HA ILE 5 7.683 -0.768 7.244 37 HB ILE 5 HB ILE 5 6.310 -2.840 7.265 38 HG12 ILE 5 2HG1 ILE 5 4.101 -1.018 8.255 39 HG13 ILE 5 1HG1 ILE 5 4.153 -1.781 6.669 40 HG21 ILE 5 1HG2 ILE 5 5.980 -2.940 9.693 41 HG22 ILE 5 2HG2 ILE 5 6.142 -1.185 9.781 42 HG23 ILE 5 3HG2 ILE 5 7.509 -2.174 9.265 43 HD11 ILE 5 3HD1 ILE 5 4.052 -3.977 7.730 44 HD12 ILE 5 1HD1 ILE 5 2.670 -2.973 8.169 45 HD13 ILE 5 2HD1 ILE 5 3.991 -3.204 9.313 46 H GLY 6 HN GLY 6 7.144 -2.513 5.366 47 HA2 GLY 6 2HA GLY 6 6.532 -0.874 3.075 48 HA3 GLY 6 1HA GLY 6 6.982 -2.571 3.052 49 H LEU 7 HN LEU 7 4.876 -1.183 1.567 50 HA LEU 7 HA LEU 7 2.316 -1.752 2.569 51 HB2 LEU 7 2HB LEU 7 2.967 -0.371 0.528 52 HB3 LEU 7 1HB LEU 7 3.138 -1.882 -0.336 53 HG LEU 7 HG LEU 7 0.979 -0.585 -0.677 54 HD11 LEU 7 1HD1 LEU 7 1.217 -2.909 -1.361 55 HD12 LEU 7 2HD1 LEU 7 -0.406 -2.585 -0.753 56 HD13 LEU 7 3HD1 LEU 7 0.758 -3.439 0.259 57 HD21 LEU 7 3HD2 LEU 7 -0.764 -0.887 1.001 58 HD22 LEU 7 1HD2 LEU 7 0.596 0.032 1.648 59 HD23 LEU 7 2HD2 LEU 7 0.395 -1.667 2.076 60 H ASN 8 HN ASN 8 4.713 -3.728 1.007 61 HA ASN 8 HA ASN 8 3.063 -5.977 0.460 62 HB2 ASN 8 2HB ASN 8 5.085 -7.141 -0.071 63 HB3 ASN 8 1HB ASN 8 5.292 -5.483 -0.626 64 HD21 ASN 8 1HD2 ASN 8 6.741 -4.130 0.464 65 HD22 ASN 8 2HD2 ASN 8 7.937 -4.751 1.557 66 H GLU 9 HN GLU 9 4.340 -4.731 3.352 67 HA GLU 9 HA GLU 9 4.519 -7.323 4.656 68 HB2 GLU 9 2HB GLU 9 5.063 -4.547 5.716 69 HB3 GLU 9 1HB GLU 9 5.394 -6.049 6.556 70 HG2 GLU 9 2HG GLU 9 6.936 -6.660 4.710 71 HG3 GLU 9 1HG GLU 9 6.694 -5.051 4.041 72 H VAL 10 HN VAL 10 2.177 -5.129 3.947 73 HA VAL 10 HA VAL 10 0.635 -5.488 6.401 74 HB VAL 10 HB VAL 10 -0.254 -4.131 3.855 75 HG11 VAL 10 1HG1 VAL 10 -1.193 -3.842 6.704 76 HG12 VAL 10 2HG1 VAL 10 -2.054 -4.657 5.399 77 HG13 VAL 10 3HG1 VAL 10 -1.791 -2.915 5.328 78 HG21 VAL 10 3HG2 VAL 10 0.429 -2.006 4.885 79 HG22 VAL 10 1HG2 VAL 10 1.803 -3.067 4.576 80 HG23 VAL 10 2HG2 VAL 10 1.166 -2.901 6.213 81 H GLU 11 HN GLU 11 -1.600 -6.361 6.207 82 HA GLU 11 HA GLU 11 -1.592 -8.604 4.312 83 HB2 GLU 11 2HB GLU 11 -1.502 -9.026 6.843 84 HB3 GLU 11 1HB GLU 11 -3.179 -8.499 6.869 85 HG2 GLU 11 2HG GLU 11 -3.800 -10.290 5.365 86 HG3 GLU 11 1HG GLU 11 -2.113 -10.788 5.231 87 H ILE 12 HN ILE 12 -4.008 -9.435 4.066 88 HA ILE 12 HA ILE 12 -5.256 -7.437 2.486 89 HB ILE 12 HB ILE 12 -7.014 -9.122 2.080 90 HG12 ILE 12 2HG1 ILE 12 -5.418 -10.818 4.017 91 HG13 ILE 12 1HG1 ILE 12 -7.019 -10.157 4.323 92 HG21 ILE 12 1HG2 ILE 12 -4.184 -10.144 1.877 93 HG22 ILE 12 2HG2 ILE 12 -5.013 -9.109 0.715 94 HG23 ILE 12 3HG2 ILE 12 -5.564 -10.764 0.969 95 HD11 ILE 12 3HD1 ILE 12 -7.916 -11.498 2.492 96 HD12 ILE 12 1HD1 ILE 12 -7.148 -12.497 3.725 97 HD13 ILE 12 2HD1 ILE 12 -6.313 -12.174 2.206 98 H LYS 13 HN LYS 13 -7.341 -6.577 2.655 99 HA LYS 13 HA LYS 13 -9.071 -5.536 3.648 100 HB2 LYS 13 2HB LYS 13 -8.922 -7.905 5.518 101 HB3 LYS 13 1HB LYS 13 -10.256 -6.753 5.473 102 HG2 LYS 13 2HG LYS 13 -10.622 -7.346 3.097 103 HG3 LYS 13 1HG LYS 13 -9.362 -8.569 3.246 104 HD2 LYS 13 2HD LYS 13 -10.658 -9.716 4.959 105 HD3 LYS 13 1HD LYS 13 -11.917 -8.481 4.847 106 HE2 LYS 13 2HE LYS 13 -12.250 -9.076 2.480 107 HE3 LYS 13 1HE LYS 13 -11.029 -10.335 2.642 108 HZ1 LYS 13 3HZ LYS 13 -13.596 -10.211 4.123 109 HZ2 LYS 13 1HZ LYS 13 -12.421 -11.419 4.292 110 HZ3 LYS 13 2HZ LYS 13 -13.248 -11.240 2.825 111 H SER 14 HN SER 14 -6.563 -4.617 4.249 112 HA SER 14 HA SER 14 -7.027 -3.487 6.923 113 HB2 SER 14 2HB SER 14 -4.297 -3.950 5.712 114 HB3 SER 14 1HB SER 14 -4.672 -3.470 7.365 115 HG SER 14 HG SER 14 -5.158 -5.976 6.126 116 H LYS 15 HN LYS 15 -6.489 -1.271 7.131 117 HA LYS 15 HA LYS 15 -6.012 0.094 4.571 118 HB2 LYS 15 2HB LYS 15 -8.269 0.515 5.568 119 HB3 LYS 15 1HB LYS 15 -7.471 1.236 6.961 120 HG2 LYS 15 2HG LYS 15 -6.501 2.953 5.557 121 HG3 LYS 15 1HG LYS 15 -7.206 2.207 4.123 122 HD2 LYS 15 2HD LYS 15 -9.459 2.599 5.098 123 HD3 LYS 15 1HD LYS 15 -8.685 3.471 6.427 124 HE2 LYS 15 2HE LYS 15 -7.722 5.049 4.837 125 HE3 LYS 15 1HE LYS 15 -8.468 4.173 3.502 126 HZ1 LYS 15 3HZ LYS 15 -9.779 6.081 4.024 127 HZ2 LYS 15 1HZ LYS 15 -9.871 5.648 5.663 128 HZ3 LYS 15 2HZ LYS 15 -10.649 4.698 4.487 129 H VAL 16 HN VAL 16 -4.342 1.449 4.424 130 HA VAL 16 HA VAL 16 -2.855 2.119 6.881 131 HB VAL 16 HB VAL 16 -0.726 1.680 5.669 132 HG11 VAL 16 1HG1 VAL 16 -2.564 -0.691 5.968 133 HG12 VAL 16 2HG1 VAL 16 -1.561 0.028 7.229 134 HG13 VAL 16 3HG1 VAL 16 -0.805 -0.774 5.851 135 HG21 VAL 16 3HG2 VAL 16 -2.523 0.377 3.627 136 HG22 VAL 16 1HG2 VAL 16 -0.762 0.298 3.650 137 HG23 VAL 16 2HG2 VAL 16 -1.572 1.843 3.388 138 H LYS 17 HN LYS 17 -1.304 3.826 6.592 139 HA LYS 17 HA LYS 17 -2.100 5.719 4.483 140 HB2 LYS 17 2HB LYS 17 -2.567 6.553 6.706 141 HB3 LYS 17 1HB LYS 17 -0.927 6.212 7.212 142 HG2 LYS 17 2HG LYS 17 -0.233 7.863 5.371 143 HG3 LYS 17 1HG LYS 17 -1.926 8.356 5.371 144 HD2 LYS 17 2HD LYS 17 -0.074 8.395 7.756 145 HD3 LYS 17 1HD LYS 17 -0.562 9.799 6.810 146 HE2 LYS 17 2HE LYS 17 -2.506 8.016 8.253 147 HE3 LYS 17 1HE LYS 17 -1.799 9.455 8.979 148 HZ1 LYS 17 3HZ LYS 17 -3.494 9.376 6.534 149 HZ2 LYS 17 1HZ LYS 17 -2.787 10.771 7.192 150 HZ3 LYS 17 2HZ LYS 17 -3.967 9.925 8.065 151 H VAL 18 HN VAL 18 -0.568 6.573 3.235 152 HA VAL 18 HA VAL 18 1.931 5.176 3.056 153 HB VAL 18 HB VAL 18 0.979 7.580 1.482 154 HG11 VAL 18 1HG1 VAL 18 3.390 7.337 1.380 155 HG12 VAL 18 2HG1 VAL 18 2.669 6.876 -0.164 156 HG13 VAL 18 3HG1 VAL 18 3.222 5.633 0.959 157 HG21 VAL 18 3HG2 VAL 18 0.387 5.967 -0.257 158 HG22 VAL 18 1HG2 VAL 18 -0.511 5.659 1.231 159 HG23 VAL 18 2HG2 VAL 18 0.865 4.642 0.804 160 H ILE 19 HN ILE 19 3.132 5.627 4.834 161 HA ILE 19 HA ILE 19 3.660 8.163 5.904 162 HB ILE 19 HB ILE 19 5.399 5.695 5.894 163 HG12 ILE 19 2HG1 ILE 19 3.243 5.349 6.982 164 HG13 ILE 19 1HG1 ILE 19 4.531 5.379 8.180 165 HG21 ILE 19 1HG2 ILE 19 6.574 6.700 7.791 166 HG22 ILE 19 2HG2 ILE 19 5.628 8.174 7.595 167 HG23 ILE 19 3HG2 ILE 19 6.749 7.671 6.330 168 HD11 ILE 19 3HD1 ILE 19 2.630 7.624 7.548 169 HD12 ILE 19 1HD1 ILE 19 3.949 7.702 8.718 170 HD13 ILE 19 2HD1 ILE 19 2.603 6.591 8.978 171 H GLY 20 HN GLY 20 5.253 6.294 3.357 172 HA2 GLY 20 2HA GLY 20 5.955 8.606 1.923 173 HA3 GLY 20 1HA GLY 20 7.355 8.068 2.835 174 H ILE 21 HN ILE 21 7.491 8.167 0.181 175 HA ILE 21 HA ILE 21 7.297 5.379 -0.723 176 HB ILE 21 HB ILE 21 7.855 7.864 -2.364 177 HG12 ILE 21 2HG1 ILE 21 5.263 6.335 -2.016 178 HG13 ILE 21 1HG1 ILE 21 5.597 7.946 -1.392 179 HG21 ILE 21 1HG2 ILE 21 7.315 6.421 -4.288 180 HG22 ILE 21 2HG2 ILE 21 7.128 5.051 -3.192 181 HG23 ILE 21 3HG2 ILE 21 8.704 5.819 -3.382 182 HD11 ILE 21 3HD1 ILE 21 5.805 8.782 -3.675 183 HD12 ILE 21 1HD1 ILE 21 4.230 8.041 -3.390 184 HD13 ILE 21 2HD1 ILE 21 5.466 7.166 -4.295 185 H VAL 22 HN VAL 22 9.211 4.556 -1.903 186 HA VAL 22 HA VAL 22 11.656 5.421 -0.547 187 HB VAL 22 HB VAL 22 11.110 2.857 -2.052 188 HG11 VAL 22 1HG1 VAL 22 13.478 3.483 -2.066 189 HG12 VAL 22 2HG1 VAL 22 13.190 2.053 -1.076 190 HG13 VAL 22 3HG1 VAL 22 13.448 3.618 -0.308 191 HG21 VAL 22 3HG2 VAL 22 11.047 1.803 0.158 192 HG22 VAL 22 1HG2 VAL 22 9.781 3.016 -0.015 193 HG23 VAL 22 2HG2 VAL 22 11.233 3.384 0.917 194 HA PRO 23 HA PRO 23 12.239 7.447 -4.586 195 HB2 PRO 23 2HB PRO 23 14.471 8.703 -3.109 196 HB3 PRO 23 1HB PRO 23 13.143 9.455 -4.000 197 HG2 PRO 23 2HG PRO 23 13.200 9.507 -1.335 198 HG3 PRO 23 1HG PRO 23 11.675 9.289 -2.219 199 HD2 PRO 23 2HD PRO 23 13.381 7.234 -0.852 200 HD3 PRO 23 1HD PRO 23 11.614 7.418 -0.837 201 H GLU 24 HN GLU 24 14.411 8.004 -5.765 202 HA GLU 24 HA GLU 24 16.096 7.176 -7.020 203 HB2 GLU 24 2HB GLU 24 17.118 6.999 -4.653 204 HB3 GLU 24 1HB GLU 24 16.838 5.273 -4.821 205 HG2 GLU 24 2HG GLU 24 18.260 5.177 -6.755 206 HG3 GLU 24 1HG GLU 24 18.451 6.931 -6.744 207 H SER 25 HN SER 25 14.087 4.766 -5.434 208 HA SER 25 HA SER 25 14.595 2.611 -7.132 209 HB2 SER 25 2HB SER 25 12.485 3.428 -5.221 210 HB3 SER 25 1HB SER 25 12.050 2.199 -6.396 211 HG SER 25 HG SER 25 12.900 1.217 -4.550 212 H LYS 26 HN LYS 26 13.266 1.759 -8.825 213 HA LYS 26 HA LYS 26 12.801 3.754 -10.814 214 HB2 LYS 26 2HB LYS 26 13.689 1.307 -11.038 215 HB3 LYS 26 1HB LYS 26 11.988 0.878 -11.097 216 HG2 LYS 26 2HG LYS 26 13.288 2.831 -12.982 217 HG3 LYS 26 1HG LYS 26 13.103 1.112 -13.316 218 HD2 LYS 26 2HD LYS 26 10.667 1.346 -13.135 219 HD3 LYS 26 1HD LYS 26 10.862 3.072 -12.814 220 HE2 LYS 26 2HE LYS 26 11.922 3.350 -15.006 221 HE3 LYS 26 1HE LYS 26 11.711 1.630 -15.324 222 HZ1 LYS 26 3HZ LYS 26 9.310 1.942 -15.180 223 HZ2 LYS 26 1HZ LYS 26 9.985 2.927 -16.385 224 HZ3 LYS 26 2HZ LYS 26 9.524 3.599 -14.900 225 H VAL 27 HN VAL 27 10.711 1.473 -9.050 226 HA VAL 27 HA VAL 27 8.374 2.287 -10.504 227 HB VAL 27 HB VAL 27 7.093 0.846 -9.094 228 HG11 VAL 27 1HG1 VAL 27 8.276 -1.269 -9.356 229 HG12 VAL 27 2HG1 VAL 27 9.792 -0.400 -9.595 230 HG13 VAL 27 3HG1 VAL 27 8.489 -0.243 -10.774 231 HG21 VAL 27 3HG2 VAL 27 7.989 -0.234 -7.101 232 HG22 VAL 27 1HG2 VAL 27 8.006 1.519 -6.929 233 HG23 VAL 27 2HG2 VAL 27 9.502 0.655 -7.289 234 H ARG 28 HN ARG 28 10.063 3.549 -7.875 235 HA ARG 28 HA ARG 28 8.131 4.733 -6.294 236 HB2 ARG 28 2HB ARG 28 10.391 4.801 -5.594 237 HB3 ARG 28 1HB ARG 28 10.912 5.580 -7.076 238 HG2 ARG 28 2HG ARG 28 9.012 7.061 -5.347 239 HG3 ARG 28 1HG ARG 28 10.676 6.884 -4.784 240 HD2 ARG 28 2HD ARG 28 9.664 8.220 -7.277 241 HD3 ARG 28 1HD ARG 28 10.663 8.896 -5.989 242 HE ARG 28 HE ARG 28 11.780 6.715 -7.581 243 HH11 ARG 28 1HH1 ARG 28 11.759 10.131 -6.776 244 HH12 ARG 28 2HH1 ARG 28 13.250 10.458 -7.612 245 HH21 ARG 28 1HH2 ARG 28 13.716 7.142 -8.674 246 HH22 ARG 28 2HH2 ARG 28 14.362 8.755 -8.709 247 H ARG 29 HN ARG 29 9.575 5.969 -9.304 248 HA ARG 29 HA ARG 29 8.031 8.375 -9.282 249 HB2 ARG 29 2HB ARG 29 10.216 8.112 -10.470 250 HB3 ARG 29 1HB ARG 29 9.411 7.063 -11.630 251 HG2 ARG 29 2HG ARG 29 7.970 8.893 -12.319 252 HG3 ARG 29 1HG ARG 29 8.707 9.947 -11.112 253 HD2 ARG 29 2HD ARG 29 10.876 9.688 -12.235 254 HD3 ARG 29 1HD ARG 29 10.111 8.674 -13.459 255 HE ARG 29 HE ARG 29 8.656 10.972 -13.533 256 HH11 ARG 29 1HH1 ARG 29 12.087 10.261 -13.769 257 HH12 ARG 29 2HH1 ARG 29 12.418 11.615 -14.806 258 HH21 ARG 29 1HH2 ARG 29 9.104 12.763 -14.869 259 HH22 ARG 29 2HH2 ARG 29 10.734 13.056 -15.408 260 H LYS 30 HN LYS 30 7.656 5.179 -10.579 261 HA LYS 30 HA LYS 30 5.521 5.623 -12.358 262 HB2 LYS 30 2HB LYS 30 6.982 3.591 -12.215 263 HB3 LYS 30 1HB LYS 30 6.123 3.132 -10.758 264 HG2 LYS 30 2HG LYS 30 4.224 3.625 -12.823 265 HG3 LYS 30 1HG LYS 30 5.472 2.531 -13.427 266 HD2 LYS 30 2HD LYS 30 5.148 1.205 -11.292 267 HD3 LYS 30 1HD LYS 30 3.708 2.185 -11.011 268 HE2 LYS 30 2HE LYS 30 2.748 1.424 -13.099 269 HE3 LYS 30 1HE LYS 30 4.213 0.518 -13.468 270 HZ1 LYS 30 3HZ LYS 30 2.733 -1.051 -12.626 271 HZ2 LYS 30 1HZ LYS 30 2.191 -0.038 -11.378 272 HZ3 LYS 30 2HZ LYS 30 3.747 -0.710 -11.305 273 H ILE 31 HN ILE 31 5.629 4.752 -8.942 274 HA ILE 31 HA ILE 31 2.849 4.513 -8.510 275 HB ILE 31 HB ILE 31 5.026 5.291 -6.557 276 HG12 ILE 31 2HG1 ILE 31 3.768 2.591 -7.073 277 HG13 ILE 31 1HG1 ILE 31 5.301 3.107 -7.768 278 HG21 ILE 31 1HG2 ILE 31 3.484 4.503 -4.819 279 HG22 ILE 31 2HG2 ILE 31 2.242 4.247 -6.046 280 HG23 ILE 31 3HG2 ILE 31 2.822 5.877 -5.704 281 HD11 ILE 31 3HD1 ILE 31 5.617 1.682 -5.825 282 HD12 ILE 31 1HD1 ILE 31 4.709 2.822 -4.832 283 HD13 ILE 31 2HD1 ILE 31 6.252 3.303 -5.540 284 H MET 32 HN MET 32 5.025 7.290 -8.403 285 HA MET 32 HA MET 32 3.130 9.139 -7.386 286 HB2 MET 32 2HB MET 32 5.637 9.552 -9.017 287 HB3 MET 32 1HB MET 32 4.679 10.872 -8.358 288 HG2 MET 32 2HG MET 32 5.070 10.029 -6.099 289 HG3 MET 32 1HG MET 32 6.034 8.710 -6.762 290 HE1 MET 32 3HE MET 32 8.002 9.393 -5.105 291 HE2 MET 32 1HE MET 32 7.036 10.733 -4.485 292 HE3 MET 32 2HE MET 32 8.692 11.013 -5.025 293 H ASP 33 HN ASP 33 3.927 8.015 -10.603 294 HA ASP 33 HA ASP 33 2.355 9.817 -12.086 295 HB2 ASP 33 2HB ASP 33 3.908 8.469 -13.276 296 HB3 ASP 33 1HB ASP 33 3.264 6.983 -12.591 297 H MET 34 HN MET 34 1.563 6.963 -10.254 298 HA MET 34 HA MET 34 -1.089 6.684 -11.309 299 HB2 MET 34 2HB MET 34 0.298 5.470 -8.925 300 HB3 MET 34 1HB MET 34 -1.370 5.116 -9.333 301 HG2 MET 34 2HG MET 34 -0.557 4.359 -11.582 302 HG3 MET 34 1HG MET 34 1.083 4.507 -10.954 303 HE1 MET 34 3HE MET 34 0.542 3.586 -7.880 304 HE2 MET 34 1HE MET 34 1.955 3.116 -8.824 305 HE3 MET 34 2HE MET 34 0.994 1.885 -8.005 306 H GLY 35 HN GLY 35 0.378 8.513 -8.754 307 HA2 GLY 35 2HA GLY 35 -0.824 10.497 -8.049 308 HA3 GLY 35 1HA GLY 35 -2.306 9.562 -8.127 309 H ILE 36 HN ILE 36 0.699 8.472 -6.651 310 HA ILE 36 HA ILE 36 -0.563 8.770 -4.002 311 HB ILE 36 HB ILE 36 1.351 6.584 -4.833 312 HG12 ILE 36 2HG1 ILE 36 -1.607 6.392 -4.237 313 HG13 ILE 36 1HG1 ILE 36 -0.924 6.410 -5.857 314 HG21 ILE 36 1HG2 ILE 36 1.531 7.200 -2.476 315 HG22 ILE 36 2HG2 ILE 36 0.820 5.596 -2.661 316 HG23 ILE 36 3HG2 ILE 36 -0.209 6.979 -2.285 317 HD11 ILE 36 3HD1 ILE 36 -0.408 4.323 -3.751 318 HD12 ILE 36 1HD1 ILE 36 0.261 4.332 -5.382 319 HD13 ILE 36 2HD1 ILE 36 -1.478 4.154 -5.144 320 H VAL 37 HN VAL 37 0.680 9.695 -2.413 321 HA VAL 37 HA VAL 37 3.459 10.333 -3.105 322 HB VAL 37 HB VAL 37 2.989 12.694 -2.110 323 HG11 VAL 37 1HG1 VAL 37 3.719 12.266 -4.398 324 HG12 VAL 37 2HG1 VAL 37 2.515 13.553 -4.352 325 HG13 VAL 37 3HG1 VAL 37 2.053 11.934 -4.877 326 HG21 VAL 37 3HG2 VAL 37 0.756 13.563 -2.624 327 HG22 VAL 37 1HG2 VAL 37 0.676 12.270 -1.427 328 HG23 VAL 37 2HG2 VAL 37 0.236 11.947 -3.105 329 H ARG 38 HN ARG 38 1.521 11.651 -0.459 330 HA ARG 38 HA ARG 38 2.671 9.862 1.485 331 HB2 ARG 38 2HB ARG 38 4.475 11.549 1.114 332 HB3 ARG 38 1HB ARG 38 3.346 12.811 1.590 333 HG2 ARG 38 2HG ARG 38 3.115 11.652 3.794 334 HG3 ARG 38 1HG ARG 38 4.431 10.586 3.296 335 HD2 ARG 38 2HD ARG 38 5.324 12.365 4.648 336 HD3 ARG 38 1HD ARG 38 5.867 12.579 2.984 337 HE ARG 38 HE ARG 38 3.587 14.082 3.160 338 HH11 ARG 38 1HH1 ARG 38 6.612 13.983 4.920 339 HH12 ARG 38 2HH1 ARG 38 6.593 15.675 5.313 340 HH21 ARG 38 1HH2 ARG 38 3.541 16.287 3.685 341 HH22 ARG 38 2HH2 ARG 38 4.842 16.998 4.590 342 H GLY 39 HN GLY 39 1.482 9.831 3.364 343 HA2 GLY 39 2HA GLY 39 -0.261 10.310 4.808 344 HA3 GLY 39 1HA GLY 39 -0.475 11.852 3.995 345 H THR 40 HN THR 40 -0.394 9.632 1.630 346 HA THR 40 HA THR 40 -3.187 9.737 1.106 347 HB THR 40 HB THR 40 -1.400 7.782 -0.264 348 HG1 THR 40 1HG THR 40 -1.126 10.611 -0.270 349 HG21 THR 40 3HG2 THR 40 -2.579 8.631 -2.247 350 HG22 THR 40 1HG2 THR 40 -3.432 9.797 -1.236 351 HG23 THR 40 2HG2 THR 40 -3.708 8.070 -1.015 352 H GLU 41 HN GLU 41 -4.703 8.033 1.288 353 HA GLU 41 HA GLU 41 -3.864 5.928 3.133 354 HB2 GLU 41 2HB GLU 41 -6.394 5.746 3.491 355 HB3 GLU 41 1HB GLU 41 -5.556 7.122 4.180 356 HG2 GLU 41 2HG GLU 41 -6.362 8.560 2.465 357 HG3 GLU 41 1HG GLU 41 -7.011 7.196 1.551 358 H ILE 42 HN ILE 42 -3.995 3.869 2.635 359 HA ILE 42 HA ILE 42 -5.158 3.123 0.029 360 HB ILE 42 HB ILE 42 -2.628 2.163 1.361 361 HG12 ILE 42 2HG1 ILE 42 -2.496 4.225 -0.019 362 HG13 ILE 42 1HG1 ILE 42 -1.534 2.901 -0.668 363 HG21 ILE 42 1HG2 ILE 42 -3.806 0.214 0.540 364 HG22 ILE 42 2HG2 ILE 42 -2.392 0.545 -0.461 365 HG23 ILE 42 3HG2 ILE 42 -4.002 0.972 -1.040 366 HD11 ILE 42 3HD1 ILE 42 -2.670 4.063 -2.446 367 HD12 ILE 42 1HD1 ILE 42 -4.227 3.802 -1.658 368 HD13 ILE 42 2HD1 ILE 42 -3.316 2.429 -2.287 369 H TYR 43 HN TYR 43 -6.731 1.635 0.144 370 HA TYR 43 HA TYR 43 -6.855 -0.118 2.497 371 HB2 TYR 43 2HB TYR 43 -8.945 1.061 1.891 372 HB3 TYR 43 1HB TYR 43 -8.894 0.325 0.295 373 HD1 TYR 43 2HD TYR 43 -9.155 -0.492 3.914 374 HD2 TYR 43 1HD TYR 43 -9.866 -1.779 -0.079 375 HE1 TYR 43 2HE TYR 43 -10.408 -2.429 4.769 376 HE2 TYR 43 1HE TYR 43 -11.120 -3.721 0.761 377 HH TYR 43 HH TYR 43 -12.243 -3.984 3.885 378 H ILE 44 HN ILE 44 -5.983 -2.089 2.312 379 HA ILE 44 HA ILE 44 -5.406 -3.160 -0.327 380 HB ILE 44 HB ILE 44 -4.824 -4.303 2.420 381 HG12 ILE 44 2HG1 ILE 44 -2.413 -3.896 1.558 382 HG13 ILE 44 1HG1 ILE 44 -3.164 -2.822 0.386 383 HG21 ILE 44 1HG2 ILE 44 -4.012 -5.329 -0.295 384 HG22 ILE 44 2HG2 ILE 44 -5.146 -6.096 0.817 385 HG23 ILE 44 3HG2 ILE 44 -3.441 -5.958 1.250 386 HD11 ILE 44 3HD1 ILE 44 -2.334 -1.582 2.280 387 HD12 ILE 44 1HD1 ILE 44 -3.300 -2.564 3.381 388 HD13 ILE 44 2HD1 ILE 44 -4.095 -1.496 2.224 389 H GLU 45 HN GLU 45 -7.183 -3.889 -1.328 390 HA GLU 45 HA GLU 45 -9.415 -5.014 0.007 391 HB2 GLU 45 2HB GLU 45 -8.624 -5.152 -2.907 392 HB3 GLU 45 1HB GLU 45 -10.194 -5.604 -2.264 393 HG2 GLU 45 2HG GLU 45 -10.459 -3.264 -1.456 394 HG3 GLU 45 1HG GLU 45 -8.964 -2.863 -2.301 395 H GLY 46 HN GLY 46 -6.893 -6.439 -2.042 396 HA2 GLY 46 2HA GLY 46 -6.749 -8.814 -0.492 397 HA3 GLY 46 1HA GLY 46 -7.704 -9.081 -1.946 398 H LYS 47 HN LYS 47 -5.712 -10.623 -2.004 399 HA LYS 47 HA LYS 47 -3.757 -9.358 -3.789 400 HB2 LYS 47 2HB LYS 47 -3.168 -11.412 -1.642 401 HB3 LYS 47 1HB LYS 47 -2.009 -10.821 -2.824 402 HG2 LYS 47 2HG LYS 47 -1.925 -8.697 -1.852 403 HG3 LYS 47 1HG LYS 47 -3.406 -8.966 -0.932 404 HD2 LYS 47 2HD LYS 47 -1.455 -9.080 0.519 405 HD3 LYS 47 1HD LYS 47 -2.255 -10.648 0.422 406 HE2 LYS 47 2HE LYS 47 -0.598 -11.354 -1.263 407 HE3 LYS 47 1HE LYS 47 0.223 -9.807 -1.068 408 HZ1 LYS 47 3HZ LYS 47 0.542 -10.363 1.295 409 HZ2 LYS 47 1HZ LYS 47 1.308 -11.469 0.264 410 HZ3 LYS 47 2HZ LYS 47 -0.152 -11.882 1.019 411 H ALA 48 HN ALA 48 -2.990 -10.753 -5.452 412 HA ALA 48 HA ALA 48 -4.804 -12.701 -6.388 413 HB1 ALA 48 1HB ALA 48 -3.309 -11.488 -7.889 414 HB2 ALA 48 2HB ALA 48 -3.065 -13.228 -8.047 415 HB3 ALA 48 3HB ALA 48 -1.910 -12.257 -7.137 416 HA PRO 49 HA PRO 49 -3.938 -16.471 -4.277 417 HB2 PRO 49 2HB PRO 49 -3.194 -17.633 -6.927 418 HB3 PRO 49 1HB PRO 49 -4.296 -18.257 -5.694 419 HG2 PRO 49 2HG PRO 49 -5.251 -17.095 -7.886 420 HG3 PRO 49 1HG PRO 49 -6.009 -16.815 -6.309 421 HD2 PRO 49 2HD PRO 49 -4.259 -15.017 -7.915 422 HD3 PRO 49 1HD PRO 49 -5.610 -14.613 -6.838 423 H MET 50 HN MET 50 -1.544 -15.369 -6.606 424 HA MET 50 HA MET 50 0.538 -17.015 -5.399 425 HB2 MET 50 2HB MET 50 0.562 -15.140 -7.762 426 HB3 MET 50 1HB MET 50 1.980 -16.002 -7.187 427 HG2 MET 50 2HG MET 50 -0.552 -17.308 -8.158 428 HG3 MET 50 1HG MET 50 0.896 -17.065 -9.131 429 HE1 MET 50 3HE MET 50 0.320 -20.154 -5.769 430 HE2 MET 50 1HE MET 50 -0.964 -19.355 -6.680 431 HE3 MET 50 2HE MET 50 -0.017 -18.445 -5.501 432 H GLY 51 HN GLY 51 -0.837 -14.183 -4.572 433 HA2 GLY 51 2HA GLY 51 -0.097 -12.695 -2.928 434 HA3 GLY 51 1HA GLY 51 1.537 -13.308 -3.137 435 H ASP 52 HN ASP 52 0.697 -12.849 -6.156 436 HA ASP 52 HA ASP 52 1.106 -9.965 -6.298 437 HB2 ASP 52 2HB ASP 52 3.374 -10.807 -6.329 438 HB3 ASP 52 1HB ASP 52 2.954 -12.025 -7.529 439 HA PRO 53 HA PRO 53 0.900 -8.440 -7.493 440 HB2 PRO 53 2HB PRO 53 -0.905 -6.774 -8.532 441 HB3 PRO 53 1HB PRO 53 0.374 -7.467 -9.536 442 HG2 PRO 53 2HG PRO 53 -2.498 -8.270 -9.307 443 HG3 PRO 53 1HG PRO 53 -1.486 -8.133 -10.757 444 HD2 PRO 53 2HD PRO 53 -2.030 -10.499 -9.430 445 HD3 PRO 53 1HD PRO 53 -0.635 -10.234 -10.493 446 H ILE 54 HN ILE 54 -0.648 -6.488 -6.571 447 HA ILE 54 HA ILE 54 -2.464 -7.788 -4.635 448 HB ILE 54 HB ILE 54 -0.688 -5.381 -4.148 449 HG12 ILE 54 2HG1 ILE 54 -0.457 -8.214 -3.103 450 HG13 ILE 54 1HG1 ILE 54 0.586 -7.492 -4.322 451 HG21 ILE 54 1HG2 ILE 54 -1.386 -5.586 -1.821 452 HG22 ILE 54 2HG2 ILE 54 -2.448 -6.928 -2.250 453 HG23 ILE 54 3HG2 ILE 54 -2.772 -5.312 -2.876 454 HD11 ILE 54 3HD1 ILE 54 1.650 -7.545 -2.134 455 HD12 ILE 54 1HD1 ILE 54 0.334 -6.578 -1.465 456 HD13 ILE 54 2HD1 ILE 54 1.401 -5.890 -2.689 457 H ALA 55 HN ALA 55 -4.384 -6.738 -4.153 458 HA ALA 55 HA ALA 55 -5.153 -4.623 -6.032 459 HB1 ALA 55 1HB ALA 55 -6.547 -6.630 -6.015 460 HB2 ALA 55 2HB ALA 55 -7.457 -5.217 -5.478 461 HB3 ALA 55 3HB ALA 55 -6.876 -6.395 -4.301 462 H LEU 56 HN LEU 56 -4.921 -2.645 -5.284 463 HA LEU 56 HA LEU 56 -5.428 -2.080 -2.440 464 HB2 LEU 56 2HB LEU 56 -3.940 -0.495 -4.548 465 HB3 LEU 56 1HB LEU 56 -4.260 0.089 -2.929 466 HG LEU 56 HG LEU 56 -2.904 -1.862 -2.064 467 HD11 LEU 56 1HD1 LEU 56 -3.011 -3.291 -4.036 468 HD12 LEU 56 2HD1 LEU 56 -1.341 -2.922 -3.607 469 HD13 LEU 56 3HD1 LEU 56 -2.108 -2.093 -4.962 470 HD21 LEU 56 3HD2 LEU 56 -1.507 0.115 -3.856 471 HD22 LEU 56 1HD2 LEU 56 -0.765 -0.792 -2.537 472 HD23 LEU 56 2HD2 LEU 56 -2.016 0.404 -2.193 473 H ARG 57 HN ARG 57 -6.407 0.203 -2.137 474 HA ARG 57 HA ARG 57 -8.082 1.106 -4.334 475 HB2 ARG 57 2HB ARG 57 -9.303 -0.704 -2.908 476 HB3 ARG 57 1HB ARG 57 -9.414 0.559 -1.708 477 HG2 ARG 57 2HG ARG 57 -10.665 1.964 -3.222 478 HG3 ARG 57 1HG ARG 57 -10.514 0.747 -4.494 479 HD2 ARG 57 2HD ARG 57 -11.754 -0.846 -3.124 480 HD3 ARG 57 1HD ARG 57 -11.879 0.347 -1.834 481 HE ARG 57 HE ARG 57 -13.094 0.774 -4.490 482 HH11 ARG 57 1HH1 ARG 57 -13.286 0.740 -0.998 483 HH12 ARG 57 2HH1 ARG 57 -14.899 1.381 -0.944 484 HH21 ARG 57 1HH2 ARG 57 -15.220 1.604 -4.432 485 HH22 ARG 57 2HH2 ARG 57 -16.006 1.866 -2.901 486 H LEU 58 HN LEU 58 -8.213 3.257 -4.322 487 HA LEU 58 HA LEU 58 -7.500 4.707 -1.860 488 HB2 LEU 58 2HB LEU 58 -5.741 4.340 -3.811 489 HB3 LEU 58 1HB LEU 58 -6.546 5.730 -4.480 490 HG LEU 58 HG LEU 58 -5.120 5.597 -1.817 491 HD11 LEU 58 1HD1 LEU 58 -3.502 7.081 -2.887 492 HD12 LEU 58 2HD1 LEU 58 -4.395 6.967 -4.403 493 HD13 LEU 58 3HD1 LEU 58 -3.616 5.535 -3.730 494 HD21 LEU 58 3HD2 LEU 58 -6.409 7.945 -3.204 495 HD22 LEU 58 1HD2 LEU 58 -5.444 8.014 -1.728 496 HD23 LEU 58 2HD2 LEU 58 -6.988 7.163 -1.732 497 H ARG 59 HN ARG 59 -8.606 6.471 -1.519 498 HA ARG 59 HA ARG 59 -10.233 8.059 -1.616 499 HB2 ARG 59 2HB ARG 59 -9.514 7.955 -4.546 500 HB3 ARG 59 1HB ARG 59 -10.647 9.123 -3.876 501 HG2 ARG 59 2HG ARG 59 -8.974 10.150 -2.572 502 HG3 ARG 59 1HG ARG 59 -7.844 8.827 -2.847 503 HD2 ARG 59 2HD ARG 59 -7.714 9.432 -5.213 504 HD3 ARG 59 1HD ARG 59 -8.855 10.750 -4.939 505 HE ARG 59 HE ARG 59 -7.133 11.691 -3.401 506 HH11 ARG 59 1HH1 ARG 59 -6.192 9.507 -5.985 507 HH12 ARG 59 2HH1 ARG 59 -4.573 10.134 -6.086 508 HH21 ARG 59 1HH2 ARG 59 -5.020 12.530 -3.557 509 HH22 ARG 59 2HH2 ARG 59 -3.910 11.859 -4.722 510 H GLY 60 HN GLY 60 -11.025 6.624 -4.755 511 HA2 GLY 60 2HA GLY 60 -13.341 5.286 -3.583 512 HA3 GLY 60 1HA GLY 60 -13.663 6.531 -4.780 513 H TYR 61 HN TYR 61 -10.745 4.824 -5.244 514 HA TYR 61 HA TYR 61 -12.007 2.954 -7.099 515 HB2 TYR 61 2HB TYR 61 -10.229 3.577 -8.814 516 HB3 TYR 61 1HB TYR 61 -11.568 4.686 -8.609 517 HD1 TYR 61 1HD TYR 61 -7.977 4.172 -8.117 518 HD2 TYR 61 2HD TYR 61 -11.203 6.898 -7.599 519 HE1 TYR 61 1HE TYR 61 -6.372 5.986 -7.697 520 HE2 TYR 61 2HE TYR 61 -9.604 8.717 -7.180 521 HH TYR 61 HH TYR 61 -6.308 8.475 -7.850 522 H SER 62 HN SER 62 -10.917 1.179 -7.527 523 HA SER 62 HA SER 62 -8.869 0.330 -5.739 524 HB2 SER 62 2HB SER 62 -10.621 -1.181 -6.596 525 HB3 SER 62 1HB SER 62 -9.973 -1.004 -8.224 526 HG SER 62 HG SER 62 -8.992 -2.428 -6.026 527 H LEU 63 HN LEU 63 -6.796 -0.448 -6.335 528 HA LEU 63 HA LEU 63 -5.672 0.520 -8.863 529 HB2 LEU 63 2HB LEU 63 -4.550 1.124 -6.124 530 HB3 LEU 63 1HB LEU 63 -3.651 1.332 -7.612 531 HG LEU 63 HG LEU 63 -6.196 2.805 -6.927 532 HD11 LEU 63 1HD1 LEU 63 -4.357 3.453 -5.457 533 HD12 LEU 63 2HD1 LEU 63 -4.760 4.744 -6.588 534 HD13 LEU 63 3HD1 LEU 63 -3.331 3.746 -6.862 535 HD21 LEU 63 3HD2 LEU 63 -4.216 3.183 -9.172 536 HD22 LEU 63 1HD2 LEU 63 -5.619 4.201 -8.843 537 HD23 LEU 63 2HD2 LEU 63 -5.844 2.520 -9.327 538 H SER 64 HN SER 64 -4.060 -0.805 -9.659 539 HA SER 64 HA SER 64 -3.430 -3.151 -7.985 540 HB2 SER 64 2HB SER 64 -4.941 -3.651 -9.902 541 HB3 SER 64 1HB SER 64 -3.680 -3.112 -11.003 542 HG SER 64 HG SER 64 -4.001 -5.511 -10.019 543 H LEU 65 HN LEU 65 -1.370 -3.561 -7.624 544 HA LEU 65 HA LEU 65 0.652 -2.715 -9.525 545 HB2 LEU 65 2HB LEU 65 2.065 -1.848 -7.617 546 HB3 LEU 65 1HB LEU 65 0.746 -0.828 -8.143 547 HG LEU 65 HG LEU 65 -0.565 -1.866 -6.178 548 HD11 LEU 65 1HD1 LEU 65 2.246 -2.525 -5.317 549 HD12 LEU 65 2HD1 LEU 65 0.957 -3.680 -5.653 550 HD13 LEU 65 3HD1 LEU 65 0.816 -2.575 -4.286 551 HD21 LEU 65 3HD2 LEU 65 0.338 -0.194 -4.645 552 HD22 LEU 65 1HD2 LEU 65 0.173 0.451 -6.279 553 HD23 LEU 65 2HD2 LEU 65 1.761 -0.020 -5.673 554 H ARG 66 HN ARG 66 2.828 -3.634 -8.928 555 HA ARG 66 HA ARG 66 2.382 -6.437 -8.359 556 HB2 ARG 66 2HB ARG 66 4.813 -4.910 -9.287 557 HB3 ARG 66 1HB ARG 66 4.811 -6.645 -9.001 558 HG2 ARG 66 2HG ARG 66 3.063 -5.200 -10.983 559 HG3 ARG 66 1HG ARG 66 4.533 -6.098 -11.370 560 HD2 ARG 66 2HD ARG 66 3.490 -8.139 -10.455 561 HD3 ARG 66 1HD ARG 66 2.015 -7.226 -10.146 562 HE ARG 66 HE ARG 66 2.354 -6.827 -12.774 563 HH11 ARG 66 1HH1 ARG 66 2.540 -9.759 -10.846 564 HH12 ARG 66 2HH1 ARG 66 1.963 -10.785 -12.128 565 HH21 ARG 66 1HH2 ARG 66 1.610 -8.189 -14.456 566 HH22 ARG 66 2HH2 ARG 66 1.444 -9.900 -14.176 567 H LYS 67 HN LYS 67 3.746 -7.670 -6.984 568 HA LYS 67 HA LYS 67 3.781 -6.847 -4.336 569 HB2 LYS 67 2HB LYS 67 3.813 -9.179 -5.213 570 HB3 LYS 67 1HB LYS 67 5.497 -8.965 -5.643 571 HG2 LYS 67 2HG LYS 67 4.581 -8.630 -2.814 572 HG3 LYS 67 1HG LYS 67 4.904 -10.226 -3.487 573 HD2 LYS 67 2HD LYS 67 7.172 -9.162 -4.209 574 HD3 LYS 67 1HD LYS 67 6.794 -7.970 -2.963 575 HE2 LYS 67 2HE LYS 67 8.144 -9.687 -1.979 576 HE3 LYS 67 1HE LYS 67 6.503 -9.840 -1.347 577 HZ1 LYS 67 3HZ LYS 67 6.096 -11.633 -2.909 578 HZ2 LYS 67 1HZ LYS 67 7.452 -11.993 -1.955 579 HZ3 LYS 67 2HZ LYS 67 7.650 -11.466 -3.555 580 H SER 68 HN SER 68 6.361 -6.740 -6.744 581 HA SER 68 HA SER 68 8.451 -6.029 -4.995 582 HB2 SER 68 2HB SER 68 8.202 -5.363 -7.934 583 HB3 SER 68 1HB SER 68 9.692 -5.468 -6.994 584 HG SER 68 HG SER 68 8.942 -7.369 -8.344 585 H GLU 69 HN GLU 69 6.035 -4.142 -6.691 586 HA GLU 69 HA GLU 69 7.270 -1.597 -6.209 587 HB2 GLU 69 2HB GLU 69 4.382 -2.196 -6.883 588 HB3 GLU 69 1HB GLU 69 5.234 -0.678 -7.123 589 HG2 GLU 69 2HG GLU 69 6.700 -1.760 -8.756 590 HG3 GLU 69 1HG GLU 69 5.823 -3.271 -8.527 591 H ALA 70 HN ALA 70 4.872 -3.607 -4.651 592 HA ALA 70 HA ALA 70 4.037 -1.834 -2.646 593 HB1 ALA 70 1HB ALA 70 4.276 -4.837 -2.495 594 HB2 ALA 70 2HB ALA 70 2.901 -3.946 -3.147 595 HB3 ALA 70 3HB ALA 70 3.304 -3.813 -1.436 596 H LYS 71 HN LYS 71 7.004 -3.510 -3.089 597 HA LYS 71 HA LYS 71 7.890 -3.423 -0.367 598 HB2 LYS 71 2HB LYS 71 8.806 -5.002 -2.059 599 HB3 LYS 71 1HB LYS 71 9.523 -3.638 -2.902 600 HG2 LYS 71 2HG LYS 71 10.787 -3.140 -0.774 601 HG3 LYS 71 1HG LYS 71 10.228 -4.708 -0.188 602 HD2 LYS 71 2HD LYS 71 11.854 -4.225 -2.682 603 HD3 LYS 71 1HD LYS 71 12.465 -4.872 -1.161 604 HE2 LYS 71 2HE LYS 71 10.288 -6.176 -2.788 605 HE3 LYS 71 1HE LYS 71 11.996 -6.579 -2.939 606 HZ1 LYS 71 3HZ LYS 71 10.696 -8.070 -1.455 607 HZ2 LYS 71 1HZ LYS 71 10.484 -6.771 -0.389 608 HZ3 LYS 71 2HZ LYS 71 12.042 -7.357 -0.707 609 H ASP 72 HN ASP 72 8.052 -1.283 -3.134 610 HA ASP 72 HA ASP 72 9.955 0.493 -1.867 611 HB2 ASP 72 2HB ASP 72 8.567 0.451 -4.530 612 HB3 ASP 72 1HB ASP 72 9.414 1.888 -3.989 613 H ILE 73 HN ILE 73 7.008 -0.012 -0.997 614 HA ILE 73 HA ILE 73 6.308 2.841 -0.697 615 HB ILE 73 HB ILE 73 4.390 0.498 -0.629 616 HG12 ILE 73 2HG1 ILE 73 4.740 2.611 -2.767 617 HG13 ILE 73 1HG1 ILE 73 5.281 0.941 -2.902 618 HG21 ILE 73 1HG2 ILE 73 3.895 3.474 -0.551 619 HG22 ILE 73 2HG2 ILE 73 3.689 2.343 0.787 620 HG23 ILE 73 3HG2 ILE 73 2.649 2.227 -0.632 621 HD11 ILE 73 3HD1 ILE 73 2.429 1.856 -2.601 622 HD12 ILE 73 1HD1 ILE 73 2.966 0.181 -2.726 623 HD13 ILE 73 2HD1 ILE 73 3.192 1.282 -4.083 624 H LEU 74 HN LEU 74 6.464 3.579 1.336 625 HA LEU 74 HA LEU 74 6.467 1.634 3.537 626 HB2 LEU 74 2HB LEU 74 7.420 4.501 3.447 627 HB3 LEU 74 1HB LEU 74 7.467 3.471 4.861 628 HG LEU 74 HG LEU 74 8.995 2.984 2.306 629 HD11 LEU 74 1HD1 LEU 74 9.921 3.942 5.010 630 HD12 LEU 74 2HD1 LEU 74 9.841 4.906 3.535 631 HD13 LEU 74 3HD1 LEU 74 10.963 3.549 3.642 632 HD21 LEU 74 3HD2 LEU 74 9.119 1.550 4.956 633 HD22 LEU 74 1HD2 LEU 74 10.104 1.211 3.533 634 HD23 LEU 74 2HD2 LEU 74 8.364 0.921 3.492 635 H VAL 75 HN VAL 75 4.716 1.497 4.775 636 HA VAL 75 HA VAL 75 2.913 3.811 4.972 637 HB VAL 75 HB VAL 75 0.962 2.270 4.805 638 HG11 VAL 75 1HG1 VAL 75 1.015 2.040 2.362 639 HG12 VAL 75 2HG1 VAL 75 2.746 2.377 2.377 640 HG13 VAL 75 3HG1 VAL 75 1.601 3.616 2.893 641 HG21 VAL 75 3HG2 VAL 75 1.315 0.066 3.733 642 HG22 VAL 75 1HG2 VAL 75 2.024 0.175 5.344 643 HG23 VAL 75 2HG2 VAL 75 3.054 0.290 3.918 644 H GLU 76 HN GLU 76 1.522 3.802 6.788 645 HA GLU 76 HA GLU 76 2.258 1.917 8.930 646 HB2 GLU 76 2HB GLU 76 2.971 4.152 9.538 647 HB3 GLU 76 1HB GLU 76 1.393 4.810 9.135 648 HG2 GLU 76 2HG GLU 76 1.627 4.659 11.522 649 HG3 GLU 76 1HG GLU 76 0.404 3.513 10.977 650 H VAL 77 HN VAL 77 0.593 1.044 10.132 651 HA VAL 77 HA VAL 77 -1.794 0.594 8.627 652 HB VAL 77 HB VAL 77 -1.201 -0.232 11.471 653 HG11 VAL 77 1HG1 VAL 77 -2.800 -2.019 11.052 654 HG12 VAL 77 2HG1 VAL 77 -3.087 -1.393 9.429 655 HG13 VAL 77 3HG1 VAL 77 -3.547 -0.436 10.837 656 HG21 VAL 77 3HG2 VAL 77 -0.585 -1.664 8.890 657 HG22 VAL 77 1HG2 VAL 77 -0.436 -2.365 10.503 658 HG23 VAL 77 2HG2 VAL 77 0.583 -1.003 10.033 659 H LEU 78 HN LEU 78 -3.656 1.686 8.702 660 HA LEU 78 HA LEU 78 -3.948 3.847 10.594 661 HB2 LEU 78 2HB LEU 78 -5.654 2.914 8.298 662 HB3 LEU 78 1HB LEU 78 -6.118 4.235 9.352 663 HG LEU 78 HG LEU 78 -3.681 4.156 7.572 664 HD11 LEU 78 1HD1 LEU 78 -5.797 4.475 6.374 665 HD12 LEU 78 2HD1 LEU 78 -4.803 5.931 6.343 666 HD13 LEU 78 3HD1 LEU 78 -6.187 5.830 7.433 667 HD21 LEU 78 3HD2 LEU 78 -3.308 6.449 8.299 668 HD22 LEU 78 1HD2 LEU 78 -3.255 5.343 9.671 669 HD23 LEU 78 2HD2 LEU 78 -4.684 6.339 9.396 670 H LEU 79 HN LEU 79 -4.758 0.623 10.532 671 HA LEU 79 HA LEU 79 -7.122 0.700 12.072 672 HB2 LEU 79 2HB LEU 79 -5.063 -1.488 11.796 673 HB3 LEU 79 1HB LEU 79 -6.648 -1.676 12.516 674 HG LEU 79 HG LEU 79 -6.111 -1.005 9.622 675 HD11 LEU 79 1HD1 LEU 79 -5.503 -3.294 10.176 676 HD12 LEU 79 2HD1 LEU 79 -6.958 -3.253 9.181 677 HD13 LEU 79 3HD1 LEU 79 -7.085 -3.546 10.915 678 HD21 LEU 79 3HD2 LEU 79 -8.191 -0.016 10.438 679 HD22 LEU 79 1HD2 LEU 79 -8.701 -1.590 11.048 680 HD23 LEU 79 2HD2 LEU 79 -8.504 -1.338 9.313 681 H GLU 80 HN GLU 80 -7.342 0.362 14.307 682 HA GLU 80 HA GLU 80 -5.166 1.554 15.821 683 HB2 GLU 80 2HB GLU 80 -7.931 0.729 16.720 684 HB3 GLU 80 1HB GLU 80 -6.791 1.691 17.647 685 HG2 GLU 80 2HG GLU 80 -8.095 2.487 15.057 686 HG3 GLU 80 1HG GLU 80 -8.510 3.082 16.661 687 H HIS 81 HN HIS 81 -5.713 -1.444 14.854 688 HA HIS 81 HA HIS 81 -5.285 -2.819 17.383 689 HB2 HIS 81 2HB HIS 81 -6.868 -3.654 15.564 690 HB3 HIS 81 1HB HIS 81 -5.432 -4.062 14.634 691 HD1 HIS 81 1HD HIS 81 -7.458 -5.142 17.564 692 HD2 HIS 81 2HD HIS 81 -3.980 -6.279 15.599 693 HE1 HIS 81 1HE HIS 81 -6.928 -7.445 18.412 694 HE2 HIS 81 2HE HIS 81 -4.942 -8.190 17.051 695 H HIS 82 HN HIS 82 -3.203 -1.963 17.816 696 HA HIS 82 HA HIS 82 -1.042 -2.568 15.992 697 HB2 HIS 82 2HB HIS 82 0.412 -1.605 17.840 698 HB3 HIS 82 1HB HIS 82 -0.752 -0.503 17.122 699 HD1 HIS 82 1HD HIS 82 0.361 -1.829 20.350 700 HD2 HIS 82 2HD HIS 82 -3.065 -0.038 18.820 701 HE1 HIS 82 1HE HIS 82 -0.944 -1.038 22.348 702 HE2 HIS 82 2HE HIS 82 -2.925 0.193 21.388 703 H HIS 83 HN HIS 83 -0.903 -4.750 15.838 704 HA HIS 83 HA HIS 83 -0.766 -6.330 18.270 705 HB2 HIS 83 2HB HIS 83 -0.781 -8.301 16.786 706 HB3 HIS 83 1HB HIS 83 -2.134 -7.231 16.467 707 HD1 HIS 83 1HD HIS 83 -2.161 -6.014 14.147 708 HD2 HIS 83 2HD HIS 83 1.007 -8.651 14.689 709 HE1 HIS 83 1HE HIS 83 -1.148 -6.328 11.875 710 HE2 HIS 83 2HE HIS 83 0.905 -7.731 12.279 711 H HIS 84 HN HIS 84 1.104 -6.170 19.278 712 HA HIS 84 HA HIS 84 3.591 -6.125 17.785 713 HB2 HIS 84 2HB HIS 84 4.691 -5.847 19.963 714 HB3 HIS 84 1HB HIS 84 3.416 -4.662 19.737 715 HD1 HIS 84 1HD HIS 84 4.574 -7.311 21.987 716 HD2 HIS 84 2HD HIS 84 1.054 -5.192 21.333 717 HE1 HIS 84 1HE HIS 84 3.169 -7.678 24.042 718 HE2 HIS 84 2HE HIS 84 1.003 -6.460 23.589 719 H HIS 85 HN HIS 85 4.982 -7.744 17.560 720 HA HIS 85 HA HIS 85 5.765 -9.859 17.398 721 HB2 HIS 85 2HB HIS 85 5.843 -9.919 19.851 722 HB3 HIS 85 1HB HIS 85 4.150 -10.393 19.903 723 HD1 HIS 85 1HD HIS 85 3.656 -12.852 19.796 724 HD2 HIS 85 2HD HIS 85 7.571 -11.961 18.725 725 HE1 HIS 85 1HE HIS 85 4.817 -15.071 19.573 726 HE2 HIS 85 2HE HIS 85 7.225 -14.496 19.089 727 H HIS 86 HN HIS 86 2.560 -10.525 18.751 728 HA HIS 86 HA HIS 86 1.176 -11.144 16.442 729 HB2 HIS 86 2HB HIS 86 2.875 -12.874 16.039 730 HB3 HIS 86 1HB HIS 86 2.575 -13.557 17.632 731 HD1 HIS 86 1HD HIS 86 1.518 -15.738 17.217 732 HD2 HIS 86 2HD HIS 86 -0.076 -12.762 14.785 733 HE1 HIS 86 1HE HIS 86 -0.375 -16.827 15.962 734 HE2 HIS 86 2HE HIS 86 -1.233 -15.050 14.396 Start of MODEL 11 1 H1 MET 1 H1 MET 1 4.134 7.627 13.259 2 H2 MET 1 H2 MET 1 3.567 6.260 12.425 3 H3 MET 1 H3 MET 1 3.425 7.799 11.729 4 HA MET 1 HA MET 1 5.222 6.509 10.744 5 HB2 MET 1 2HB MET 1 5.852 9.022 12.279 6 HB3 MET 1 1HB MET 1 7.051 8.263 11.241 7 HG2 MET 1 2HG MET 1 5.860 10.088 10.127 8 HG3 MET 1 1HG MET 1 5.629 8.540 9.317 9 HE1 MET 1 2HE MET 1 2.207 10.298 8.666 10 HE2 MET 1 3HE MET 1 3.586 9.468 7.944 11 HE3 MET 1 1HE MET 1 3.802 11.052 8.692 12 H THR 2 HN THR 2 4.791 4.869 12.891 13 HA THR 2 HA THR 2 7.426 4.700 14.210 14 HB THR 2 HB THR 2 6.289 3.464 16.023 15 HG1 THR 2 1HG THR 2 4.437 2.980 14.407 16 HG21 THR 2 3HG2 THR 2 5.100 5.361 17.003 17 HG22 THR 2 1HG2 THR 2 5.034 6.142 15.423 18 HG23 THR 2 2HG2 THR 2 6.587 5.885 16.216 19 H LYS 3 HN LYS 3 8.628 3.178 13.260 20 HA LYS 3 HA LYS 3 9.309 1.183 12.405 21 HB2 LYS 3 2HB LYS 3 6.820 0.199 13.800 22 HB3 LYS 3 1HB LYS 3 7.998 -0.862 13.044 23 HG2 LYS 3 2HG LYS 3 9.718 -0.052 14.565 24 HG3 LYS 3 1HG LYS 3 8.546 1.031 15.318 25 HD2 LYS 3 2HD LYS 3 7.212 -0.869 16.027 26 HD3 LYS 3 1HD LYS 3 8.326 -1.972 15.216 27 HE2 LYS 3 2HE LYS 3 10.124 -1.255 16.702 28 HE3 LYS 3 1HE LYS 3 9.020 -0.138 17.507 29 HZ1 LYS 3 3HZ LYS 3 9.326 -2.252 18.702 30 HZ2 LYS 3 1HZ LYS 3 8.639 -3.079 17.392 31 HZ3 LYS 3 2HZ LYS 3 7.711 -1.968 18.274 32 H GLY 4 HN GLY 4 8.031 2.847 10.666 33 HA2 GLY 4 2HA GLY 4 5.866 1.919 9.223 34 HA3 GLY 4 1HA GLY 4 7.181 2.864 8.539 35 H ILE 5 HN ILE 5 5.478 0.285 7.920 36 HA ILE 5 HA ILE 5 7.749 -1.395 7.093 37 HB ILE 5 HB ILE 5 6.090 -3.239 6.893 38 HG12 ILE 5 2HG1 ILE 5 4.232 -1.308 8.306 39 HG13 ILE 5 1HG1 ILE 5 4.084 -1.804 6.626 40 HG21 ILE 5 1HG2 ILE 5 7.481 -3.062 8.866 41 HG22 ILE 5 2HG2 ILE 5 5.876 -3.648 9.303 42 HG23 ILE 5 3HG2 ILE 5 6.315 -1.969 9.617 43 HD11 ILE 5 3HD1 ILE 5 3.699 -4.106 7.335 44 HD12 ILE 5 1HD1 ILE 5 2.523 -3.001 8.046 45 HD13 ILE 5 2HD1 ILE 5 3.860 -3.611 9.021 46 H GLY 6 HN GLY 6 7.196 -2.712 5.071 47 HA2 GLY 6 2HA GLY 6 6.512 -0.849 2.985 48 HA3 GLY 6 1HA GLY 6 6.969 -2.536 2.779 49 H LEU 7 HN LEU 7 4.841 -1.074 1.498 50 HA LEU 7 HA LEU 7 2.304 -1.666 2.510 51 HB2 LEU 7 2HB LEU 7 2.786 -0.141 0.638 52 HB3 LEU 7 1HB LEU 7 3.230 -1.511 -0.358 53 HG LEU 7 HG LEU 7 0.917 -2.335 -0.254 54 HD11 LEU 7 1HD1 LEU 7 -0.838 -0.900 0.672 55 HD12 LEU 7 2HD1 LEU 7 0.391 0.211 1.279 56 HD13 LEU 7 3HD1 LEU 7 0.293 -1.429 1.918 57 HD21 LEU 7 3HD2 LEU 7 -0.069 -0.573 -1.645 58 HD22 LEU 7 1HD2 LEU 7 1.608 -0.901 -2.085 59 HD23 LEU 7 2HD2 LEU 7 1.210 0.532 -1.137 60 H ASN 8 HN ASN 8 4.645 -3.648 0.869 61 HA ASN 8 HA ASN 8 2.883 -5.822 0.286 62 HB2 ASN 8 2HB ASN 8 4.811 -7.029 -0.415 63 HB3 ASN 8 1HB ASN 8 5.061 -5.364 -0.910 64 HD21 ASN 8 1HD2 ASN 8 5.828 -4.424 1.729 65 HD22 ASN 8 2HD2 ASN 8 7.393 -5.070 2.053 66 H GLU 9 HN GLU 9 3.973 -4.704 3.205 67 HA GLU 9 HA GLU 9 4.243 -7.365 4.388 68 HB2 GLU 9 2HB GLU 9 4.911 -4.616 5.444 69 HB3 GLU 9 1HB GLU 9 5.083 -6.096 6.365 70 HG2 GLU 9 2HG GLU 9 6.688 -6.927 4.731 71 HG3 GLU 9 1HG GLU 9 6.515 -5.439 3.807 72 H VAL 10 HN VAL 10 1.814 -5.439 3.647 73 HA VAL 10 HA VAL 10 0.438 -5.519 6.228 74 HB VAL 10 HB VAL 10 -0.621 -4.343 3.663 75 HG11 VAL 10 1HG1 VAL 10 -1.267 -3.812 6.552 76 HG12 VAL 10 2HG1 VAL 10 -2.279 -4.662 5.383 77 HG13 VAL 10 3HG1 VAL 10 -1.948 -2.941 5.179 78 HG21 VAL 10 3HG2 VAL 10 0.217 -2.158 4.426 79 HG22 VAL 10 1HG2 VAL 10 1.524 -3.289 4.078 80 HG23 VAL 10 2HG2 VAL 10 1.064 -2.960 5.749 81 H GLU 11 HN GLU 11 -1.768 -6.378 6.301 82 HA GLU 11 HA GLU 11 -2.010 -8.756 4.598 83 HB2 GLU 11 2HB GLU 11 -1.985 -8.950 7.120 84 HB3 GLU 11 1HB GLU 11 -3.546 -8.152 7.128 85 HG2 GLU 11 2HG GLU 11 -3.764 -10.565 7.312 86 HG3 GLU 11 1HG GLU 11 -4.496 -9.964 5.827 87 H ILE 12 HN ILE 12 -4.280 -9.403 4.063 88 HA ILE 12 HA ILE 12 -5.482 -7.297 2.572 89 HB ILE 12 HB ILE 12 -7.185 -8.940 1.922 90 HG12 ILE 12 2HG1 ILE 12 -5.731 -10.855 3.767 91 HG13 ILE 12 1HG1 ILE 12 -7.296 -10.127 4.118 92 HG21 ILE 12 1HG2 ILE 12 -4.368 -10.014 1.846 93 HG22 ILE 12 2HG2 ILE 12 -5.066 -8.842 0.729 94 HG23 ILE 12 3HG2 ILE 12 -5.686 -10.490 0.774 95 HD11 ILE 12 3HD1 ILE 12 -8.247 -11.233 2.162 96 HD12 ILE 12 1HD1 ILE 12 -7.546 -12.394 3.290 97 HD13 ILE 12 2HD1 ILE 12 -6.680 -11.964 1.814 98 H LYS 13 HN LYS 13 -7.589 -6.478 2.737 99 HA LYS 13 HA LYS 13 -9.238 -5.388 3.799 100 HB2 LYS 13 2HB LYS 13 -10.021 -7.755 4.121 101 HB3 LYS 13 1HB LYS 13 -9.297 -7.715 5.722 102 HG2 LYS 13 2HG LYS 13 -10.814 -6.080 6.482 103 HG3 LYS 13 1HG LYS 13 -11.367 -5.722 4.845 104 HD2 LYS 13 2HD LYS 13 -11.756 -8.362 6.255 105 HD3 LYS 13 1HD LYS 13 -12.976 -7.090 6.148 106 HE2 LYS 13 2HE LYS 13 -12.951 -7.259 3.715 107 HE3 LYS 13 1HE LYS 13 -11.701 -8.498 3.804 108 HZ1 LYS 13 3HZ LYS 13 -13.908 -9.443 3.475 109 HZ2 LYS 13 1HZ LYS 13 -14.441 -8.747 4.927 110 HZ3 LYS 13 2HZ LYS 13 -13.241 -9.945 4.952 111 H SER 14 HN SER 14 -6.909 -4.372 4.347 112 HA SER 14 HA SER 14 -7.148 -3.565 7.154 113 HB2 SER 14 2HB SER 14 -4.518 -3.918 5.693 114 HB3 SER 14 1HB SER 14 -4.739 -3.474 7.384 115 HG SER 14 HG SER 14 -5.068 -5.961 6.121 116 H LYS 15 HN LYS 15 -6.503 -1.383 7.555 117 HA LYS 15 HA LYS 15 -6.500 0.279 5.128 118 HB2 LYS 15 2HB LYS 15 -8.504 0.454 6.628 119 HB3 LYS 15 1HB LYS 15 -7.447 1.067 7.889 120 HG2 LYS 15 2HG LYS 15 -6.940 3.020 6.590 121 HG3 LYS 15 1HG LYS 15 -7.823 2.375 5.203 122 HD2 LYS 15 2HD LYS 15 -9.896 2.406 6.532 123 HD3 LYS 15 1HD LYS 15 -9.004 3.104 7.883 124 HE2 LYS 15 2HE LYS 15 -9.247 4.376 5.161 125 HE3 LYS 15 1HE LYS 15 -10.277 4.767 6.537 126 HZ1 LYS 15 3HZ LYS 15 -8.401 6.317 6.231 127 HZ2 LYS 15 1HZ LYS 15 -7.325 5.045 6.531 128 HZ3 LYS 15 2HZ LYS 15 -8.385 5.550 7.749 129 H VAL 16 HN VAL 16 -4.661 1.270 4.734 130 HA VAL 16 HA VAL 16 -2.919 2.043 6.984 131 HB VAL 16 HB VAL 16 -0.929 1.439 5.634 132 HG11 VAL 16 1HG1 VAL 16 -1.070 -0.985 5.959 133 HG12 VAL 16 2HG1 VAL 16 -2.818 -0.851 6.155 134 HG13 VAL 16 3HG1 VAL 16 -1.739 -0.101 7.332 135 HG21 VAL 16 3HG2 VAL 16 -1.948 1.537 3.413 136 HG22 VAL 16 1HG2 VAL 16 -2.925 0.121 3.794 137 HG23 VAL 16 2HG2 VAL 16 -1.170 -0.024 3.685 138 H LYS 17 HN LYS 17 -1.018 3.445 5.945 139 HA LYS 17 HA LYS 17 -2.108 5.207 3.885 140 HB2 LYS 17 2HB LYS 17 -2.830 6.204 5.974 141 HB3 LYS 17 1HB LYS 17 -1.194 6.157 6.598 142 HG2 LYS 17 2HG LYS 17 -0.474 7.796 5.014 143 HG3 LYS 17 1HG LYS 17 -2.016 7.723 4.164 144 HD2 LYS 17 2HD LYS 17 -2.026 9.691 5.499 145 HD3 LYS 17 1HD LYS 17 -3.116 8.532 6.258 146 HE2 LYS 17 2HE LYS 17 -1.364 7.933 7.851 147 HE3 LYS 17 1HE LYS 17 -0.275 9.096 7.097 148 HZ1 LYS 17 3HZ LYS 17 -2.834 9.719 8.468 149 HZ2 LYS 17 1HZ LYS 17 -1.859 10.855 7.671 150 HZ3 LYS 17 2HZ LYS 17 -1.274 10.056 9.046 151 H VAL 18 HN VAL 18 -0.604 6.308 2.712 152 HA VAL 18 HA VAL 18 2.021 5.142 2.667 153 HB VAL 18 HB VAL 18 0.960 7.447 1.024 154 HG11 VAL 18 1HG1 VAL 18 2.728 6.827 -0.563 155 HG12 VAL 18 2HG1 VAL 18 3.310 5.612 0.576 156 HG13 VAL 18 3HG1 VAL 18 3.381 7.322 0.997 157 HG21 VAL 18 3HG2 VAL 18 0.972 4.494 0.420 158 HG22 VAL 18 1HG2 VAL 18 0.541 5.768 -0.721 159 HG23 VAL 18 2HG2 VAL 18 -0.445 5.502 0.717 160 H ILE 19 HN ILE 19 3.071 5.764 4.535 161 HA ILE 19 HA ILE 19 3.415 8.342 5.533 162 HB ILE 19 HB ILE 19 5.494 6.153 5.473 163 HG12 ILE 19 2HG1 ILE 19 3.352 6.750 7.520 164 HG13 ILE 19 1HG1 ILE 19 3.417 5.344 6.465 165 HG21 ILE 19 1HG2 ILE 19 6.414 7.255 7.453 166 HG22 ILE 19 2HG2 ILE 19 5.203 8.527 7.305 167 HG23 ILE 19 3HG2 ILE 19 6.425 8.323 6.050 168 HD11 ILE 19 3HD1 ILE 19 4.136 4.812 8.730 169 HD12 ILE 19 1HD1 ILE 19 5.418 6.016 8.609 170 HD13 ILE 19 2HD1 ILE 19 5.445 4.593 7.568 171 H GLY 20 HN GLY 20 5.382 6.560 3.174 172 HA2 GLY 20 2HA GLY 20 5.775 8.710 1.450 173 HA3 GLY 20 1HA GLY 20 7.133 8.690 2.559 174 H ILE 21 HN ILE 21 6.981 8.227 -0.293 175 HA ILE 21 HA ILE 21 7.678 5.452 -0.687 176 HB ILE 21 HB ILE 21 7.831 7.814 -2.568 177 HG12 ILE 21 2HG1 ILE 21 5.709 5.681 -2.244 178 HG13 ILE 21 1HG1 ILE 21 5.550 7.375 -1.798 179 HG21 ILE 21 1HG2 ILE 21 7.909 6.153 -4.369 180 HG22 ILE 21 2HG2 ILE 21 7.948 4.857 -3.173 181 HG23 ILE 21 3HG2 ILE 21 9.292 5.992 -3.287 182 HD11 ILE 21 3HD1 ILE 21 4.412 6.895 -3.887 183 HD12 ILE 21 1HD1 ILE 21 5.923 6.320 -4.590 184 HD13 ILE 21 2HD1 ILE 21 5.750 8.016 -4.140 185 H VAL 22 HN VAL 22 9.798 4.868 -1.633 186 HA VAL 22 HA VAL 22 11.946 6.305 -0.248 187 HB VAL 22 HB VAL 22 11.999 3.542 -1.476 188 HG11 VAL 22 1HG1 VAL 22 14.205 4.551 -1.357 189 HG12 VAL 22 2HG1 VAL 22 14.058 3.254 -0.167 190 HG13 VAL 22 3HG1 VAL 22 13.956 4.938 0.347 191 HG21 VAL 22 3HG2 VAL 22 11.668 4.368 1.406 192 HG22 VAL 22 1HG2 VAL 22 11.894 2.713 0.836 193 HG23 VAL 22 2HG2 VAL 22 10.443 3.611 0.388 194 HA PRO 23 HA PRO 23 12.369 8.153 -4.380 195 HB2 PRO 23 2HB PRO 23 14.661 9.380 -2.915 196 HB3 PRO 23 1HB PRO 23 13.443 10.140 -3.947 197 HG2 PRO 23 2HG PRO 23 13.279 10.363 -1.315 198 HG3 PRO 23 1HG PRO 23 11.817 10.092 -2.284 199 HD2 PRO 23 2HD PRO 23 13.355 8.170 -0.591 200 HD3 PRO 23 1HD PRO 23 11.602 8.309 -0.837 201 H GLU 24 HN GLU 24 14.078 8.405 -5.951 202 HA GLU 24 HA GLU 24 15.641 7.581 -7.339 203 HB2 GLU 24 2HB GLU 24 17.107 8.018 -5.266 204 HB3 GLU 24 1HB GLU 24 17.077 6.271 -5.052 205 HG2 GLU 24 2HG GLU 24 18.004 5.994 -7.309 206 HG3 GLU 24 1HG GLU 24 18.057 7.746 -7.489 207 H SER 25 HN SER 25 13.809 5.479 -5.403 208 HA SER 25 HA SER 25 14.680 3.001 -6.355 209 HB2 SER 25 2HB SER 25 12.271 4.088 -5.030 210 HB3 SER 25 1HB SER 25 12.067 2.571 -5.890 211 HG SER 25 HG SER 25 12.828 1.767 -4.079 212 H LYS 26 HN LYS 26 13.596 1.602 -7.901 213 HA LYS 26 HA LYS 26 13.469 2.934 -10.410 214 HB2 LYS 26 2HB LYS 26 13.175 0.086 -9.524 215 HB3 LYS 26 1HB LYS 26 12.830 0.542 -11.187 216 HG2 LYS 26 2HG LYS 26 15.438 1.111 -9.791 217 HG3 LYS 26 1HG LYS 26 15.140 -0.296 -10.817 218 HD2 LYS 26 2HD LYS 26 14.705 1.117 -12.714 219 HD3 LYS 26 1HD LYS 26 14.815 2.563 -11.713 220 HE2 LYS 26 2HE LYS 26 17.161 2.175 -11.333 221 HE3 LYS 26 1HE LYS 26 17.077 0.627 -12.172 222 HZ1 LYS 26 3HZ LYS 26 16.673 1.708 -14.219 223 HZ2 LYS 26 1HZ LYS 26 17.993 2.508 -13.512 224 HZ3 LYS 26 2HZ LYS 26 16.450 3.215 -13.476 225 H VAL 27 HN VAL 27 11.076 2.147 -8.112 226 HA VAL 27 HA VAL 27 8.984 2.542 -10.141 227 HB VAL 27 HB VAL 27 7.417 1.515 -8.514 228 HG11 VAL 27 1HG1 VAL 27 9.787 -0.191 -9.280 229 HG12 VAL 27 2HG1 VAL 27 8.388 0.165 -10.292 230 HG13 VAL 27 3HG1 VAL 27 8.193 -0.799 -8.828 231 HG21 VAL 27 3HG2 VAL 27 8.344 0.239 -6.620 232 HG22 VAL 27 1HG2 VAL 27 8.601 1.975 -6.449 233 HG23 VAL 27 2HG2 VAL 27 9.932 0.933 -6.949 234 H ARG 28 HN ARG 28 10.680 4.363 -8.159 235 HA ARG 28 HA ARG 28 8.893 5.545 -6.353 236 HB2 ARG 28 2HB ARG 28 11.421 5.778 -6.442 237 HB3 ARG 28 1HB ARG 28 11.187 6.963 -7.715 238 HG2 ARG 28 2HG ARG 28 9.936 7.249 -4.999 239 HG3 ARG 28 1HG ARG 28 11.555 7.840 -5.366 240 HD2 ARG 28 2HD ARG 28 9.005 8.667 -6.749 241 HD3 ARG 28 1HD ARG 28 9.888 9.614 -5.553 242 HE ARG 28 HE ARG 28 11.706 9.082 -7.549 243 HH11 ARG 28 1HH1 ARG 28 8.603 10.676 -7.311 244 HH12 ARG 28 2HH1 ARG 28 8.926 11.787 -8.607 245 HH21 ARG 28 1HH2 ARG 28 12.142 10.526 -9.269 246 HH22 ARG 28 2HH2 ARG 28 10.932 11.699 -9.725 247 H ARG 29 HN ARG 29 9.918 6.731 -9.548 248 HA ARG 29 HA ARG 29 8.007 8.852 -9.580 249 HB2 ARG 29 2HB ARG 29 10.100 9.019 -10.814 250 HB3 ARG 29 1HB ARG 29 9.671 7.620 -11.785 251 HG2 ARG 29 2HG ARG 29 7.848 8.836 -12.796 252 HG3 ARG 29 1HG ARG 29 8.174 10.230 -11.763 253 HD2 ARG 29 2HD ARG 29 10.171 9.071 -13.701 254 HD3 ARG 29 1HD ARG 29 9.086 10.404 -14.096 255 HE ARG 29 HE ARG 29 10.192 11.559 -12.122 256 HH11 ARG 29 1HH1 ARG 29 11.857 9.165 -14.073 257 HH12 ARG 29 2HH1 ARG 29 13.424 9.886 -13.834 258 HH21 ARG 29 1HH2 ARG 29 12.248 12.487 -11.805 259 HH22 ARG 29 2HH2 ARG 29 13.644 11.762 -12.535 260 H LYS 30 HN LYS 30 8.175 5.604 -10.815 261 HA LYS 30 HA LYS 30 6.018 5.607 -12.583 262 HB2 LYS 30 2HB LYS 30 7.752 3.830 -12.309 263 HB3 LYS 30 1HB LYS 30 6.949 3.324 -10.836 264 HG2 LYS 30 2HG LYS 30 5.066 2.538 -12.003 265 HG3 LYS 30 1HG LYS 30 5.534 3.379 -13.484 266 HD2 LYS 30 2HD LYS 30 7.468 1.920 -13.723 267 HD3 LYS 30 1HD LYS 30 7.063 1.107 -12.211 268 HE2 LYS 30 2HE LYS 30 5.197 1.194 -14.571 269 HE3 LYS 30 1HE LYS 30 6.398 -0.078 -14.350 270 HZ1 LYS 30 3HZ LYS 30 4.183 0.588 -12.481 271 HZ2 LYS 30 1HZ LYS 30 5.370 -0.598 -12.211 272 HZ3 LYS 30 2HZ LYS 30 4.276 -0.773 -13.489 273 H ILE 31 HN ILE 31 6.089 4.822 -9.117 274 HA ILE 31 HA ILE 31 3.327 4.243 -8.889 275 HB ILE 31 HB ILE 31 5.301 5.146 -6.785 276 HG12 ILE 31 2HG1 ILE 31 4.218 2.391 -7.402 277 HG13 ILE 31 1HG1 ILE 31 5.775 2.991 -7.963 278 HG21 ILE 31 1HG2 ILE 31 2.542 3.977 -6.452 279 HG22 ILE 31 2HG2 ILE 31 3.041 5.619 -6.042 280 HG23 ILE 31 3HG2 ILE 31 3.700 4.247 -5.151 281 HD11 ILE 31 3HD1 ILE 31 6.513 3.224 -5.651 282 HD12 ILE 31 1HD1 ILE 31 6.025 1.570 -6.018 283 HD13 ILE 31 2HD1 ILE 31 4.953 2.623 -5.092 284 H MET 32 HN MET 32 5.184 7.224 -8.390 285 HA MET 32 HA MET 32 2.995 8.750 -7.426 286 HB2 MET 32 2HB MET 32 5.627 9.565 -8.654 287 HB3 MET 32 1HB MET 32 4.451 10.727 -8.052 288 HG2 MET 32 2HG MET 32 4.617 9.782 -5.827 289 HG3 MET 32 1HG MET 32 5.746 8.560 -6.413 290 HE1 MET 32 3HE MET 32 6.256 10.569 -3.911 291 HE2 MET 32 1HE MET 32 7.962 10.931 -4.180 292 HE3 MET 32 2HE MET 32 7.362 9.287 -4.403 293 H ASP 33 HN ASP 33 4.320 8.171 -10.626 294 HA ASP 33 HA ASP 33 2.682 10.026 -12.016 295 HB2 ASP 33 2HB ASP 33 4.730 9.107 -13.009 296 HB3 ASP 33 1HB ASP 33 4.027 7.495 -12.990 297 H MET 34 HN MET 34 2.248 6.774 -10.892 298 HA MET 34 HA MET 34 0.063 6.006 -12.484 299 HB2 MET 34 2HB MET 34 1.600 4.706 -10.735 300 HB3 MET 34 1HB MET 34 0.241 5.042 -9.673 301 HG2 MET 34 2HG MET 34 -1.264 3.889 -11.150 302 HG3 MET 34 1HG MET 34 0.022 3.659 -12.334 303 HE1 MET 34 3HE MET 34 -1.813 1.279 -11.239 304 HE2 MET 34 1HE MET 34 -0.598 0.022 -11.005 305 HE3 MET 34 2HE MET 34 -0.529 1.062 -12.428 306 H GLY 35 HN GLY 35 0.267 7.854 -9.500 307 HA2 GLY 35 2HA GLY 35 -1.561 9.586 -9.442 308 HA3 GLY 35 1HA GLY 35 -2.659 8.233 -9.647 309 H ILE 36 HN ILE 36 0.086 7.690 -7.645 310 HA ILE 36 HA ILE 36 -1.637 7.871 -5.271 311 HB ILE 36 HB ILE 36 0.975 6.380 -5.574 312 HG12 ILE 36 2HG1 ILE 36 -1.847 5.289 -5.515 313 HG13 ILE 36 1HG1 ILE 36 -0.878 5.471 -6.972 314 HG21 ILE 36 1HG2 ILE 36 0.520 7.055 -3.281 315 HG22 ILE 36 2HG2 ILE 36 0.353 5.308 -3.462 316 HG23 ILE 36 3HG2 ILE 36 -1.084 6.327 -3.372 317 HD11 ILE 36 3HD1 ILE 36 -0.240 3.700 -4.624 318 HD12 ILE 36 1HD1 ILE 36 0.761 3.894 -6.063 319 HD13 ILE 36 2HD1 ILE 36 -0.846 3.181 -6.197 320 H VAL 37 HN VAL 37 -1.093 9.184 -3.595 321 HA VAL 37 HA VAL 37 1.348 10.799 -3.935 322 HB VAL 37 HB VAL 37 0.151 12.741 -3.013 323 HG11 VAL 37 1HG1 VAL 37 -1.165 11.557 -5.451 324 HG12 VAL 37 2HG1 VAL 37 0.329 12.493 -5.422 325 HG13 VAL 37 3HG1 VAL 37 -1.199 13.257 -4.986 326 HG21 VAL 37 3HG2 VAL 37 -1.566 11.606 -1.722 327 HG22 VAL 37 1HG2 VAL 37 -2.306 11.003 -3.207 328 HG23 VAL 37 2HG2 VAL 37 -2.298 12.733 -2.864 329 H ARG 38 HN ARG 38 1.665 12.129 -1.755 330 HA ARG 38 HA ARG 38 2.164 10.098 0.226 331 HB2 ARG 38 2HB ARG 38 3.742 11.975 -0.363 332 HB3 ARG 38 1HB ARG 38 2.630 13.075 0.437 333 HG2 ARG 38 2HG ARG 38 3.793 10.723 1.885 334 HG3 ARG 38 1HG ARG 38 4.678 12.240 1.734 335 HD2 ARG 38 2HD ARG 38 2.713 13.396 2.752 336 HD3 ARG 38 1HD ARG 38 1.991 11.811 3.033 337 HE ARG 38 HE ARG 38 4.387 11.556 4.209 338 HH11 ARG 38 1HH1 ARG 38 1.830 13.945 4.486 339 HH12 ARG 38 2HH1 ARG 38 2.321 14.460 6.076 340 HH21 ARG 38 1HH2 ARG 38 5.001 12.202 6.308 341 HH22 ARG 38 2HH2 ARG 38 4.099 13.450 7.124 342 H GLY 39 HN GLY 39 0.997 9.644 1.963 343 HA2 GLY 39 2HA GLY 39 -0.389 10.091 3.796 344 HA3 GLY 39 1HA GLY 39 -0.837 11.622 3.068 345 H THR 40 HN THR 40 -1.031 9.286 0.716 346 HA THR 40 HA THR 40 -3.866 9.229 0.705 347 HB THR 40 HB THR 40 -2.149 7.197 -0.686 348 HG1 THR 40 1HG THR 40 -1.224 9.060 -1.374 349 HG21 THR 40 3HG2 THR 40 -4.558 6.849 -0.793 350 HG22 THR 40 1HG2 THR 40 -3.916 7.284 -2.378 351 HG23 THR 40 2HG2 THR 40 -4.773 8.486 -1.412 352 H GLU 41 HN GLU 41 -5.246 7.718 1.451 353 HA GLU 41 HA GLU 41 -4.165 5.741 3.289 354 HB2 GLU 41 2HB GLU 41 -7.015 6.670 2.899 355 HB3 GLU 41 1HB GLU 41 -6.422 5.637 4.182 356 HG2 GLU 41 2HG GLU 41 -4.917 7.563 4.852 357 HG3 GLU 41 1HG GLU 41 -5.878 8.550 3.754 358 H ILE 42 HN ILE 42 -4.184 3.682 2.848 359 HA ILE 42 HA ILE 42 -5.374 2.867 0.289 360 HB ILE 42 HB ILE 42 -3.022 1.720 1.800 361 HG12 ILE 42 2HG1 ILE 42 -3.153 3.257 -0.805 362 HG13 ILE 42 1HG1 ILE 42 -2.552 3.879 0.727 363 HG21 ILE 42 1HG2 ILE 42 -4.253 -0.021 0.608 364 HG22 ILE 42 2HG2 ILE 42 -2.689 0.278 -0.152 365 HG23 ILE 42 3HG2 ILE 42 -4.161 0.922 -0.880 366 HD11 ILE 42 3HD1 ILE 42 -1.345 1.616 -0.847 367 HD12 ILE 42 1HD1 ILE 42 -0.739 2.253 0.682 368 HD13 ILE 42 2HD1 ILE 42 -0.734 3.268 -0.760 369 H TYR 43 HN TYR 43 -7.098 1.637 0.435 370 HA TYR 43 HA TYR 43 -7.528 -0.060 2.771 371 HB2 TYR 43 2HB TYR 43 -9.421 1.284 1.918 372 HB3 TYR 43 1HB TYR 43 -9.285 0.485 0.358 373 HD1 TYR 43 2HD TYR 43 -10.274 0.053 3.878 374 HD2 TYR 43 1HD TYR 43 -10.181 -1.716 0.011 375 HE1 TYR 43 2HE TYR 43 -11.851 -1.677 4.636 376 HE2 TYR 43 1HE TYR 43 -11.759 -3.446 0.756 377 HH TYR 43 HH TYR 43 -13.577 -3.208 3.525 378 H ILE 44 HN ILE 44 -6.402 -1.897 2.670 379 HA ILE 44 HA ILE 44 -5.623 -3.152 0.230 380 HB ILE 44 HB ILE 44 -5.757 -4.509 2.924 381 HG12 ILE 44 2HG1 ILE 44 -4.606 -2.339 3.186 382 HG13 ILE 44 1HG1 ILE 44 -3.514 -3.699 3.408 383 HG21 ILE 44 1HG2 ILE 44 -5.269 -5.959 1.043 384 HG22 ILE 44 2HG2 ILE 44 -3.838 -5.777 2.058 385 HG23 ILE 44 3HG2 ILE 44 -3.956 -4.895 0.537 386 HD11 ILE 44 3HD1 ILE 44 -2.643 -3.365 1.156 387 HD12 ILE 44 1HD1 ILE 44 -2.466 -1.917 2.147 388 HD13 ILE 44 2HD1 ILE 44 -3.743 -2.004 0.935 389 H GLU 45 HN GLU 45 -7.248 -3.899 -1.076 390 HA GLU 45 HA GLU 45 -9.661 -4.966 0.032 391 HB2 GLU 45 2HB GLU 45 -8.674 -4.992 -2.821 392 HB3 GLU 45 1HB GLU 45 -10.298 -5.399 -2.296 393 HG2 GLU 45 2HG GLU 45 -10.316 -3.023 -1.290 394 HG3 GLU 45 1HG GLU 45 -8.954 -2.735 -2.372 395 H GLY 46 HN GLY 46 -7.185 -6.408 -2.101 396 HA2 GLY 46 2HA GLY 46 -6.986 -8.759 -0.521 397 HA3 GLY 46 1HA GLY 46 -8.044 -9.031 -1.897 398 H LYS 47 HN LYS 47 -5.601 -10.359 -1.424 399 HA LYS 47 HA LYS 47 -3.812 -9.281 -3.472 400 HB2 LYS 47 2HB LYS 47 -3.509 -11.588 -1.528 401 HB3 LYS 47 1HB LYS 47 -2.297 -11.132 -2.719 402 HG2 LYS 47 2HG LYS 47 -1.816 -9.120 -1.627 403 HG3 LYS 47 1HG LYS 47 -3.296 -9.183 -0.671 404 HD2 LYS 47 2HD LYS 47 -1.295 -9.715 0.664 405 HD3 LYS 47 1HD LYS 47 -2.433 -11.060 0.599 406 HE2 LYS 47 2HE LYS 47 -1.077 -12.122 -1.141 407 HE3 LYS 47 1HE LYS 47 0.058 -10.774 -1.078 408 HZ1 LYS 47 3HZ LYS 47 -0.561 -12.406 1.315 409 HZ2 LYS 47 1HZ LYS 47 0.760 -11.373 1.057 410 HZ3 LYS 47 2HZ LYS 47 0.660 -12.844 0.221 411 H ALA 48 HN ALA 48 -3.236 -10.560 -5.309 412 HA ALA 48 HA ALA 48 -5.270 -12.082 -6.488 413 HB1 ALA 48 1HB ALA 48 -3.458 -10.978 -7.745 414 HB2 ALA 48 2HB ALA 48 -3.630 -12.678 -8.177 415 HB3 ALA 48 3HB ALA 48 -2.318 -12.167 -7.115 416 HA PRO 49 HA PRO 49 -5.262 -16.164 -4.862 417 HB2 PRO 49 2HB PRO 49 -4.508 -17.097 -7.603 418 HB3 PRO 49 1HB PRO 49 -5.792 -17.672 -6.532 419 HG2 PRO 49 2HG PRO 49 -6.362 -16.089 -8.578 420 HG3 PRO 49 1HG PRO 49 -7.182 -15.878 -7.020 421 HD2 PRO 49 2HD PRO 49 -5.037 -14.237 -8.275 422 HD3 PRO 49 1HD PRO 49 -6.367 -13.737 -7.212 423 H MET 50 HN MET 50 -2.503 -15.348 -6.924 424 HA MET 50 HA MET 50 -0.911 -17.483 -5.757 425 HB2 MET 50 2HB MET 50 -0.816 -16.916 -8.199 426 HB3 MET 50 1HB MET 50 -0.063 -15.388 -7.766 427 HG2 MET 50 2HG MET 50 1.822 -16.565 -6.799 428 HG3 MET 50 1HG MET 50 1.054 -18.112 -7.144 429 HE1 MET 50 3HE MET 50 0.650 -19.051 -9.609 430 HE2 MET 50 1HE MET 50 1.069 -18.156 -11.068 431 HE3 MET 50 2HE MET 50 -0.223 -17.574 -10.018 432 H GLY 51 HN GLY 51 -1.645 -14.289 -5.013 433 HA2 GLY 51 2HA GLY 51 -0.815 -13.395 -2.923 434 HA3 GLY 51 1HA GLY 51 0.750 -14.103 -3.296 435 H ASP 52 HN ASP 52 0.085 -13.074 -6.155 436 HA ASP 52 HA ASP 52 0.525 -10.219 -5.845 437 HB2 ASP 52 2HB ASP 52 2.803 -11.005 -5.705 438 HB3 ASP 52 1HB ASP 52 2.570 -12.095 -7.066 439 HA PRO 53 HA PRO 53 0.709 -8.523 -7.043 440 HB2 PRO 53 2HB PRO 53 -1.268 -6.906 -8.340 441 HB3 PRO 53 1HB PRO 53 0.465 -6.960 -8.656 442 HG2 PRO 53 2HG PRO 53 -1.488 -7.810 -10.415 443 HG3 PRO 53 1HG PRO 53 0.207 -8.324 -10.460 444 HD2 PRO 53 2HD PRO 53 -2.182 -9.738 -9.346 445 HD3 PRO 53 1HD PRO 53 -0.779 -10.401 -10.212 446 H ILE 54 HN ILE 54 -0.915 -6.470 -6.304 447 HA ILE 54 HA ILE 54 -2.980 -7.778 -4.653 448 HB ILE 54 HB ILE 54 -1.242 -5.467 -3.763 449 HG12 ILE 54 2HG1 ILE 54 -1.025 -8.383 -2.978 450 HG13 ILE 54 1HG1 ILE 54 0.082 -7.551 -4.065 451 HG21 ILE 54 1HG2 ILE 54 -2.147 -5.978 -1.541 452 HG22 ILE 54 2HG2 ILE 54 -3.148 -7.247 -2.246 453 HG23 ILE 54 3HG2 ILE 54 -3.423 -5.562 -2.685 454 HD11 ILE 54 3HD1 ILE 54 0.725 -6.049 -2.241 455 HD12 ILE 54 1HD1 ILE 54 1.026 -7.743 -1.846 456 HD13 ILE 54 2HD1 ILE 54 -0.370 -6.913 -1.160 457 H ALA 55 HN ALA 55 -4.941 -6.805 -4.605 458 HA ALA 55 HA ALA 55 -5.319 -4.408 -6.225 459 HB1 ALA 55 1HB ALA 55 -7.701 -4.895 -6.038 460 HB2 ALA 55 2HB ALA 55 -7.356 -6.205 -4.909 461 HB3 ALA 55 3HB ALA 55 -6.813 -6.317 -6.585 462 H LEU 56 HN LEU 56 -5.349 -2.468 -5.324 463 HA LEU 56 HA LEU 56 -6.030 -2.252 -2.457 464 HB2 LEU 56 2HB LEU 56 -4.153 -0.444 -3.958 465 HB3 LEU 56 1HB LEU 56 -4.403 -0.527 -2.227 466 HG LEU 56 HG LEU 56 -3.162 -2.740 -3.862 467 HD11 LEU 56 1HD1 LEU 56 -1.855 -0.637 -2.146 468 HD12 LEU 56 2HD1 LEU 56 -1.753 -0.763 -3.903 469 HD13 LEU 56 3HD1 LEU 56 -1.044 -2.017 -2.886 470 HD21 LEU 56 3HD2 LEU 56 -2.470 -3.599 -1.680 471 HD22 LEU 56 1HD2 LEU 56 -4.225 -3.503 -1.810 472 HD23 LEU 56 2HD2 LEU 56 -3.342 -2.289 -0.886 473 H ARG 57 HN ARG 57 -7.502 -0.734 -1.901 474 HA ARG 57 HA ARG 57 -8.534 0.991 -4.044 475 HB2 ARG 57 2HB ARG 57 -10.114 -0.517 -2.767 476 HB3 ARG 57 1HB ARG 57 -9.782 0.448 -1.342 477 HG2 ARG 57 2HG ARG 57 -10.836 1.688 -3.857 478 HG3 ARG 57 1HG ARG 57 -11.908 0.944 -2.673 479 HD2 ARG 57 2HD ARG 57 -11.049 2.461 -0.952 480 HD3 ARG 57 1HD ARG 57 -9.978 3.202 -2.140 481 HE ARG 57 HE ARG 57 -12.648 3.321 -3.056 482 HH11 ARG 57 1HH1 ARG 57 -10.527 4.756 -0.647 483 HH12 ARG 57 2HH1 ARG 57 -11.411 6.252 -0.602 484 HH21 ARG 57 1HH2 ARG 57 -13.794 5.285 -2.970 485 HH22 ARG 57 2HH2 ARG 57 -13.256 6.554 -1.910 486 H LEU 58 HN LEU 58 -7.587 2.917 -4.100 487 HA LEU 58 HA LEU 58 -7.163 4.373 -1.614 488 HB2 LEU 58 2HB LEU 58 -4.822 4.961 -2.381 489 HB3 LEU 58 1HB LEU 58 -5.057 3.344 -1.753 490 HG LEU 58 HG LEU 58 -5.301 2.662 -4.256 491 HD11 LEU 58 1HD1 LEU 58 -3.801 5.263 -4.524 492 HD12 LEU 58 2HD1 LEU 58 -5.400 4.910 -5.180 493 HD13 LEU 58 3HD1 LEU 58 -3.985 4.045 -5.785 494 HD21 LEU 58 3HD2 LEU 58 -3.488 1.960 -2.784 495 HD22 LEU 58 1HD2 LEU 58 -2.641 3.475 -3.095 496 HD23 LEU 58 2HD2 LEU 58 -2.890 2.320 -4.404 497 H ARG 59 HN ARG 59 -6.971 6.595 -1.860 498 HA ARG 59 HA ARG 59 -7.097 8.660 -2.789 499 HB2 ARG 59 2HB ARG 59 -5.476 7.598 -4.465 500 HB3 ARG 59 1HB ARG 59 -6.864 7.415 -5.523 501 HG2 ARG 59 2HG ARG 59 -6.096 10.088 -4.400 502 HG3 ARG 59 1HG ARG 59 -5.334 9.439 -5.850 503 HD2 ARG 59 2HD ARG 59 -7.644 9.170 -6.808 504 HD3 ARG 59 1HD ARG 59 -8.244 10.085 -5.425 505 HE ARG 59 HE ARG 59 -6.414 11.769 -6.349 506 HH11 ARG 59 1HH1 ARG 59 -8.815 9.898 -8.067 507 HH12 ARG 59 2HH1 ARG 59 -8.956 11.017 -9.386 508 HH21 ARG 59 1HH2 ARG 59 -6.606 13.278 -8.068 509 HH22 ARG 59 2HH2 ARG 59 -7.701 12.951 -9.378 510 H GLY 60 HN GLY 60 -8.925 6.214 -4.597 511 HA2 GLY 60 2HA GLY 60 -11.425 7.351 -3.976 512 HA3 GLY 60 1HA GLY 60 -10.940 7.897 -5.575 513 H TYR 61 HN TYR 61 -9.450 5.240 -5.855 514 HA TYR 61 HA TYR 61 -11.705 3.419 -6.182 515 HB2 TYR 61 2HB TYR 61 -11.030 2.962 -8.549 516 HB3 TYR 61 1HB TYR 61 -11.727 4.554 -8.293 517 HD1 TYR 61 2HD TYR 61 -8.572 2.725 -8.870 518 HD2 TYR 61 1HD TYR 61 -10.458 6.535 -8.752 519 HE1 TYR 61 2HE TYR 61 -6.588 3.732 -9.912 520 HE2 TYR 61 1HE TYR 61 -8.477 7.554 -9.796 521 HH TYR 61 HH TYR 61 -6.014 5.711 -11.245 522 H SER 62 HN SER 62 -10.916 1.284 -7.067 523 HA SER 62 HA SER 62 -8.547 0.458 -5.675 524 HB2 SER 62 2HB SER 62 -10.191 -1.278 -7.489 525 HB3 SER 62 1HB SER 62 -9.312 -1.709 -6.032 526 HG SER 62 HG SER 62 -11.179 -1.522 -5.110 527 H LEU 63 HN LEU 63 -6.661 -0.237 -6.558 528 HA LEU 63 HA LEU 63 -6.379 -0.343 -9.465 529 HB2 LEU 63 2HB LEU 63 -5.842 1.984 -8.651 530 HB3 LEU 63 1HB LEU 63 -4.528 1.290 -7.724 531 HG LEU 63 HG LEU 63 -3.428 0.561 -9.779 532 HD11 LEU 63 1HD1 LEU 63 -5.736 1.888 -11.194 533 HD12 LEU 63 2HD1 LEU 63 -5.424 0.153 -11.128 534 HD13 LEU 63 3HD1 LEU 63 -4.293 1.223 -11.959 535 HD21 LEU 63 3HD2 LEU 63 -4.268 3.460 -9.827 536 HD22 LEU 63 1HD2 LEU 63 -2.876 2.781 -10.669 537 HD23 LEU 63 2HD2 LEU 63 -2.926 2.780 -8.905 538 H SER 64 HN SER 64 -4.429 -1.495 -10.119 539 HA SER 64 HA SER 64 -3.781 -3.553 -8.188 540 HB2 SER 64 2HB SER 64 -2.674 -4.532 -10.320 541 HB3 SER 64 1HB SER 64 -4.430 -4.493 -10.220 542 HG SER 64 HG SER 64 -3.721 -3.715 -12.229 543 H LEU 65 HN LEU 65 -1.986 -3.474 -7.027 544 HA LEU 65 HA LEU 65 0.395 -2.208 -8.220 545 HB2 LEU 65 2HB LEU 65 -0.576 -2.228 -5.377 546 HB3 LEU 65 1HB LEU 65 1.130 -2.048 -5.727 547 HG LEU 65 HG LEU 65 0.224 0.126 -5.366 548 HD11 LEU 65 1HD1 LEU 65 0.701 1.236 -7.487 549 HD12 LEU 65 2HD1 LEU 65 0.598 -0.312 -8.324 550 HD13 LEU 65 3HD1 LEU 65 1.877 -0.033 -7.142 551 HD21 LEU 65 3HD2 LEU 65 -1.837 -0.530 -7.466 552 HD22 LEU 65 1HD2 LEU 65 -1.611 1.045 -6.705 553 HD23 LEU 65 2HD2 LEU 65 -2.125 -0.337 -5.737 554 H ARG 66 HN ARG 66 2.337 -3.314 -8.087 555 HA ARG 66 HA ARG 66 2.030 -6.184 -7.689 556 HB2 ARG 66 2HB ARG 66 4.050 -4.440 -9.042 557 HB3 ARG 66 1HB ARG 66 4.515 -6.058 -8.550 558 HG2 ARG 66 2HG ARG 66 3.827 -5.954 -10.892 559 HG3 ARG 66 1HG ARG 66 2.804 -7.027 -9.941 560 HD2 ARG 66 2HD ARG 66 1.577 -5.577 -11.556 561 HD3 ARG 66 1HD ARG 66 1.045 -5.420 -9.883 562 HE ARG 66 HE ARG 66 2.886 -3.438 -10.150 563 HH11 ARG 66 1HH1 ARG 66 0.097 -4.353 -12.077 564 HH12 ARG 66 2HH1 ARG 66 -0.376 -2.704 -12.400 565 HH21 ARG 66 1HH2 ARG 66 2.303 -1.301 -10.595 566 HH22 ARG 66 2HH2 ARG 66 0.894 -0.965 -11.553 567 H LYS 67 HN LYS 67 3.690 -7.411 -6.583 568 HA LYS 67 HA LYS 67 4.217 -6.618 -3.979 569 HB2 LYS 67 2HB LYS 67 4.279 -8.947 -4.853 570 HB3 LYS 67 1HB LYS 67 5.803 -8.580 -5.644 571 HG2 LYS 67 2HG LYS 67 6.839 -8.176 -3.466 572 HG3 LYS 67 1HG LYS 67 5.305 -8.548 -2.674 573 HD2 LYS 67 2HD LYS 67 5.370 -10.806 -3.622 574 HD3 LYS 67 1HD LYS 67 6.906 -10.435 -4.407 575 HE2 LYS 67 2HE LYS 67 7.911 -10.032 -2.195 576 HE3 LYS 67 1HE LYS 67 6.379 -10.467 -1.439 577 HZ1 LYS 67 3HZ LYS 67 7.950 -12.306 -1.445 578 HZ2 LYS 67 1HZ LYS 67 8.027 -12.264 -3.139 579 HZ3 LYS 67 2HZ LYS 67 6.575 -12.684 -2.366 580 H SER 68 HN SER 68 6.114 -6.140 -6.888 581 HA SER 68 HA SER 68 8.528 -5.324 -5.755 582 HB2 SER 68 2HB SER 68 7.285 -4.258 -8.303 583 HB3 SER 68 1HB SER 68 8.999 -4.275 -7.888 584 HG SER 68 HG SER 68 8.505 -6.001 -9.262 585 H GLU 69 HN GLU 69 5.807 -3.293 -6.879 586 HA GLU 69 HA GLU 69 6.926 -0.864 -5.963 587 HB2 GLU 69 2HB GLU 69 4.031 -1.551 -6.508 588 HB3 GLU 69 1HB GLU 69 4.643 0.072 -6.236 589 HG2 GLU 69 2HG GLU 69 4.544 0.019 -8.513 590 HG3 GLU 69 1HG GLU 69 6.209 -0.491 -8.243 591 H ALA 70 HN ALA 70 4.802 -3.223 -4.507 592 HA ALA 70 HA ALA 70 3.949 -1.688 -2.307 593 HB1 ALA 70 1HB ALA 70 2.781 -3.689 -3.010 594 HB2 ALA 70 2HB ALA 70 3.280 -3.828 -1.323 595 HB3 ALA 70 3HB ALA 70 4.179 -4.676 -2.581 596 H LYS 71 HN LYS 71 6.939 -3.309 -2.930 597 HA LYS 71 HA LYS 71 7.703 -3.418 -0.144 598 HB2 LYS 71 2HB LYS 71 8.520 -5.128 -1.679 599 HB3 LYS 71 1HB LYS 71 9.291 -3.900 -2.673 600 HG2 LYS 71 2HG LYS 71 10.889 -5.100 -1.256 601 HG3 LYS 71 1HG LYS 71 10.839 -3.374 -0.894 602 HD2 LYS 71 2HD LYS 71 9.370 -3.839 1.025 603 HD3 LYS 71 1HD LYS 71 9.469 -5.565 0.668 604 HE2 LYS 71 2HE LYS 71 11.818 -5.590 1.122 605 HE3 LYS 71 1HE LYS 71 11.862 -3.833 1.248 606 HZ1 LYS 71 3HZ LYS 71 10.429 -5.669 3.100 607 HZ2 LYS 71 1HZ LYS 71 10.462 -3.973 3.216 608 HZ3 LYS 71 2HZ LYS 71 11.889 -4.868 3.419 609 H ASP 72 HN ASP 72 8.129 -1.271 -2.864 610 HA ASP 72 HA ASP 72 10.228 0.265 -1.593 611 HB2 ASP 72 2HB ASP 72 8.761 0.518 -4.212 612 HB3 ASP 72 1HB ASP 72 9.886 1.745 -3.649 613 H ILE 73 HN ILE 73 6.967 0.143 -1.172 614 HA ILE 73 HA ILE 73 6.779 3.011 -0.530 615 HB ILE 73 HB ILE 73 4.550 0.978 -0.748 616 HG12 ILE 73 2HG1 ILE 73 5.283 3.278 -2.578 617 HG13 ILE 73 1HG1 ILE 73 5.552 1.573 -2.928 618 HG21 ILE 73 1HG2 ILE 73 3.059 2.933 -0.565 619 HG22 ILE 73 2HG2 ILE 73 4.463 3.956 -0.261 620 HG23 ILE 73 3HG2 ILE 73 4.029 2.689 0.887 621 HD11 ILE 73 3HD1 ILE 73 2.873 2.885 -2.533 622 HD12 ILE 73 1HD1 ILE 73 3.148 1.183 -2.897 623 HD13 ILE 73 2HD1 ILE 73 3.584 2.418 -4.078 624 H LEU 74 HN LEU 74 7.021 3.574 1.534 625 HA LEU 74 HA LEU 74 6.685 1.565 3.626 626 HB2 LEU 74 2HB LEU 74 7.796 4.373 3.715 627 HB3 LEU 74 1HB LEU 74 7.671 3.309 5.102 628 HG LEU 74 HG LEU 74 9.354 2.783 2.650 629 HD11 LEU 74 1HD1 LEU 74 10.215 4.619 4.021 630 HD12 LEU 74 2HD1 LEU 74 11.256 3.197 4.109 631 HD13 LEU 74 3HD1 LEU 74 10.167 3.578 5.443 632 HD21 LEU 74 3HD2 LEU 74 10.280 0.935 3.984 633 HD22 LEU 74 1HD2 LEU 74 8.561 0.719 3.651 634 HD23 LEU 74 2HD2 LEU 74 9.091 1.262 5.243 635 H VAL 75 HN VAL 75 4.902 1.451 4.787 636 HA VAL 75 HA VAL 75 3.123 3.795 4.925 637 HB VAL 75 HB VAL 75 1.169 2.297 4.729 638 HG11 VAL 75 1HG1 VAL 75 1.935 3.459 2.741 639 HG12 VAL 75 2HG1 VAL 75 1.333 1.857 2.314 640 HG13 VAL 75 3HG1 VAL 75 3.069 2.156 2.391 641 HG21 VAL 75 3HG2 VAL 75 3.214 0.176 4.075 642 HG22 VAL 75 1HG2 VAL 75 1.469 0.008 3.871 643 HG23 VAL 75 2HG2 VAL 75 2.152 0.218 5.483 644 H GLU 76 HN GLU 76 1.471 3.563 6.648 645 HA GLU 76 HA GLU 76 2.327 1.817 8.852 646 HB2 GLU 76 2HB GLU 76 3.016 4.140 9.337 647 HB3 GLU 76 1HB GLU 76 1.355 4.674 9.121 648 HG2 GLU 76 2HG GLU 76 0.643 3.430 11.045 649 HG3 GLU 76 1HG GLU 76 2.241 2.706 11.218 650 H VAL 77 HN VAL 77 0.649 0.984 10.116 651 HA VAL 77 HA VAL 77 -1.806 0.657 8.680 652 HB VAL 77 HB VAL 77 -0.786 -1.232 9.860 653 HG11 VAL 77 1HG1 VAL 77 0.190 -0.072 11.751 654 HG12 VAL 77 2HG1 VAL 77 -0.857 -1.379 12.305 655 HG13 VAL 77 3HG1 VAL 77 -1.418 0.291 12.380 656 HG21 VAL 77 3HG2 VAL 77 -2.785 -2.089 10.957 657 HG22 VAL 77 1HG2 VAL 77 -3.186 -1.256 9.454 658 HG23 VAL 77 2HG2 VAL 77 -3.460 -0.461 11.004 659 H LEU 78 HN LEU 78 -3.667 1.690 8.959 660 HA LEU 78 HA LEU 78 -3.838 3.700 11.072 661 HB2 LEU 78 2HB LEU 78 -5.594 3.257 8.660 662 HB3 LEU 78 1HB LEU 78 -5.742 4.584 9.794 663 HG LEU 78 HG LEU 78 -3.408 4.088 7.945 664 HD11 LEU 78 1HD1 LEU 78 -4.169 6.142 6.847 665 HD12 LEU 78 2HD1 LEU 78 -5.570 6.188 7.919 666 HD13 LEU 78 3HD1 LEU 78 -5.378 4.864 6.771 667 HD21 LEU 78 3HD2 LEU 78 -2.668 5.092 10.032 668 HD22 LEU 78 1HD2 LEU 78 -3.918 6.331 9.899 669 HD23 LEU 78 2HD2 LEU 78 -2.605 6.272 8.723 670 H LEU 79 HN LEU 79 -4.916 0.647 10.251 671 HA LEU 79 HA LEU 79 -7.376 0.451 11.520 672 HB2 LEU 79 2HB LEU 79 -6.155 -1.252 10.050 673 HB3 LEU 79 1HB LEU 79 -5.267 -1.702 11.490 674 HG LEU 79 HG LEU 79 -8.270 -1.816 11.393 675 HD11 LEU 79 1HD1 LEU 79 -7.475 -3.158 9.541 676 HD12 LEU 79 2HD1 LEU 79 -8.035 -4.204 10.846 677 HD13 LEU 79 3HD1 LEU 79 -6.309 -3.960 10.593 678 HD21 LEU 79 3HD2 LEU 79 -6.210 -3.258 13.064 679 HD22 LEU 79 1HD2 LEU 79 -7.955 -3.493 13.153 680 HD23 LEU 79 2HD2 LEU 79 -7.251 -1.941 13.607 681 H GLU 80 HN GLU 80 -7.714 1.192 13.482 682 HA GLU 80 HA GLU 80 -7.543 1.684 15.669 683 HB2 GLU 80 2HB GLU 80 -7.187 -0.776 15.943 684 HB3 GLU 80 1HB GLU 80 -5.453 -0.493 15.853 685 HG2 GLU 80 2HG GLU 80 -6.307 -0.726 18.160 686 HG3 GLU 80 1HG GLU 80 -5.496 0.811 17.860 687 H HIS 81 HN HIS 81 -6.772 3.643 15.884 688 HA HIS 81 HA HIS 81 -4.220 4.460 14.915 689 HB2 HIS 81 2HB HIS 81 -6.221 5.927 14.952 690 HB3 HIS 81 1HB HIS 81 -6.156 5.939 16.710 691 HD1 HIS 81 1HD HIS 81 -4.753 7.696 17.777 692 HD2 HIS 81 2HD HIS 81 -3.903 7.231 13.728 693 HE1 HIS 81 1HE HIS 81 -3.181 9.571 17.189 694 HE2 HIS 81 2HE HIS 81 -2.576 9.196 14.771 695 H HIS 82 HN HIS 82 -5.101 2.913 17.755 696 HA HIS 82 HA HIS 82 -3.239 4.219 19.518 697 HB2 HIS 82 2HB HIS 82 -4.822 1.658 19.752 698 HB3 HIS 82 1HB HIS 82 -3.708 2.207 20.998 699 HD1 HIS 82 1HD HIS 82 -4.966 3.223 22.851 700 HD2 HIS 82 2HD HIS 82 -6.702 4.087 19.172 701 HE1 HIS 82 1HE HIS 82 -6.978 4.645 23.364 702 HE2 HIS 82 2HE HIS 82 -8.099 5.021 21.138 703 H HIS 83 HN HIS 83 -1.164 4.120 18.837 704 HA HIS 83 HA HIS 83 0.006 1.441 18.657 705 HB2 HIS 83 2HB HIS 83 1.416 2.061 16.763 706 HB3 HIS 83 1HB HIS 83 -0.282 2.206 16.337 707 HD1 HIS 83 1HD HIS 83 2.787 3.907 15.868 708 HD2 HIS 83 2HD HIS 83 -1.101 5.133 16.697 709 HE1 HIS 83 1HE HIS 83 2.674 6.320 15.183 710 HE2 HIS 83 2HE HIS 83 0.364 7.083 15.832 711 H HIS 84 HN HIS 84 2.257 1.346 19.222 712 HA HIS 84 HA HIS 84 2.907 3.521 21.108 713 HB2 HIS 84 2HB HIS 84 3.902 0.665 21.204 714 HB3 HIS 84 1HB HIS 84 4.028 1.881 22.469 715 HD1 HIS 84 1HD HIS 84 1.986 -0.888 21.351 716 HD2 HIS 84 2HD HIS 84 1.371 2.560 23.599 717 HE1 HIS 84 1HE HIS 84 -0.173 -1.256 22.581 718 HE2 HIS 84 2HE HIS 84 -0.443 0.763 24.060 719 H HIS 85 HN HIS 85 4.771 4.617 20.857 720 HA HIS 85 HA HIS 85 6.383 3.940 18.524 721 HB2 HIS 85 2HB HIS 85 7.342 6.167 18.700 722 HB3 HIS 85 1HB HIS 85 5.589 6.247 18.718 723 HD1 HIS 85 1HD HIS 85 7.514 8.494 19.762 724 HD2 HIS 85 2HD HIS 85 5.563 5.687 22.140 725 HE1 HIS 85 1HE HIS 85 7.320 9.545 22.039 726 HE2 HIS 85 2HE HIS 85 6.105 7.848 23.454 727 H HIS 86 HN HIS 86 6.747 2.154 20.556 728 HA HIS 86 HA HIS 86 9.596 2.236 20.740 729 HB2 HIS 86 2HB HIS 86 8.860 3.586 22.766 730 HB3 HIS 86 1HB HIS 86 8.118 2.109 23.375 731 HD1 HIS 86 1HD HIS 86 9.828 0.066 23.836 732 HD2 HIS 86 2HD HIS 86 11.539 3.820 23.280 733 HE1 HIS 86 1HE HIS 86 12.169 -0.113 24.729 734 HE2 HIS 86 2HE HIS 86 13.125 2.210 24.545 Start of MODEL 12 1 H1 MET 1 H1 MET 1 5.981 6.749 13.516 2 H2 MET 1 H2 MET 1 7.584 6.188 13.509 3 H3 MET 1 H3 MET 1 7.256 7.823 13.828 4 HA MET 1 HA MET 1 7.818 6.607 15.837 5 HB2 MET 1 2HB MET 1 6.267 8.564 15.865 6 HB3 MET 1 1HB MET 1 4.911 7.453 15.743 7 HG2 MET 1 2HG MET 1 5.548 6.450 17.883 8 HG3 MET 1 1HG MET 1 6.894 7.580 18.005 9 HE1 MET 1 2HE MET 1 4.657 7.148 20.260 10 HE2 MET 1 3HE MET 1 4.375 8.818 20.750 11 HE3 MET 1 1HE MET 1 6.018 8.258 20.429 12 H THR 2 HN THR 2 5.998 4.857 13.678 13 HA THR 2 HA THR 2 5.373 2.829 15.727 14 HB THR 2 HB THR 2 3.316 3.749 14.738 15 HG1 THR 2 1HG THR 2 4.062 1.071 14.249 16 HG21 THR 2 3HG2 THR 2 2.807 3.335 12.361 17 HG22 THR 2 1HG2 THR 2 4.452 2.747 12.125 18 HG23 THR 2 2HG2 THR 2 4.171 4.431 12.568 19 H LYS 3 HN LYS 3 7.667 3.486 13.711 20 HA LYS 3 HA LYS 3 9.152 2.398 12.401 21 HB2 LYS 3 2HB LYS 3 7.866 0.002 13.705 22 HB3 LYS 3 1HB LYS 3 9.141 -0.171 12.510 23 HG2 LYS 3 2HG LYS 3 10.134 -0.321 14.664 24 HG3 LYS 3 1HG LYS 3 10.604 1.230 13.969 25 HD2 LYS 3 2HD LYS 3 10.036 1.557 16.282 26 HD3 LYS 3 1HD LYS 3 8.786 2.305 15.287 27 HE2 LYS 3 2HE LYS 3 7.675 1.149 17.038 28 HE3 LYS 3 1HE LYS 3 7.447 0.198 15.572 29 HZ1 LYS 3 3HZ LYS 3 7.998 -1.274 17.329 30 HZ2 LYS 3 1HZ LYS 3 9.337 -0.343 17.792 31 HZ3 LYS 3 2HZ LYS 3 9.358 -1.189 16.321 32 H GLY 4 HN GLY 4 8.373 3.175 10.496 33 HA2 GLY 4 2HA GLY 4 6.071 2.239 9.168 34 HA3 GLY 4 1HA GLY 4 7.370 3.168 8.436 35 H ILE 5 HN ILE 5 5.703 0.434 8.128 36 HA ILE 5 HA ILE 5 7.996 -1.133 7.152 37 HB ILE 5 HB ILE 5 6.461 -3.073 7.127 38 HG12 ILE 5 2HG1 ILE 5 4.518 -1.207 8.508 39 HG13 ILE 5 1HG1 ILE 5 4.354 -1.798 6.858 40 HG21 ILE 5 1HG2 ILE 5 6.354 -3.393 9.554 41 HG22 ILE 5 2HG2 ILE 5 6.664 -1.673 9.789 42 HG23 ILE 5 3HG2 ILE 5 7.894 -2.697 9.050 43 HD11 ILE 5 3HD1 ILE 5 4.145 -4.074 7.683 44 HD12 ILE 5 1HD1 ILE 5 2.930 -3.021 8.404 45 HD13 ILE 5 2HD1 ILE 5 4.346 -3.502 9.339 46 H GLY 6 HN GLY 6 7.260 -2.573 5.201 47 HA2 GLY 6 2HA GLY 6 6.406 -0.692 3.163 48 HA3 GLY 6 1HA GLY 6 6.974 -2.334 2.898 49 H LEU 7 HN LEU 7 4.722 -1.105 1.674 50 HA LEU 7 HA LEU 7 2.266 -1.851 2.807 51 HB2 LEU 7 2HB LEU 7 2.484 -0.299 0.934 52 HB3 LEU 7 1HB LEU 7 3.078 -1.592 -0.088 53 HG LEU 7 HG LEU 7 0.887 -2.713 0.079 54 HD11 LEU 7 1HD1 LEU 7 -1.017 -1.486 1.014 55 HD12 LEU 7 2HD1 LEU 7 0.085 -0.239 1.601 56 HD13 LEU 7 3HD1 LEU 7 0.185 -1.878 2.245 57 HD21 LEU 7 3HD2 LEU 7 -0.329 -1.146 -1.333 58 HD22 LEU 7 1HD2 LEU 7 1.378 -1.199 -1.774 59 HD23 LEU 7 2HD2 LEU 7 0.752 0.156 -0.834 60 H ASN 8 HN ASN 8 4.703 -3.668 1.166 61 HA ASN 8 HA ASN 8 3.110 -5.945 0.514 62 HB2 ASN 8 2HB ASN 8 5.260 -7.064 0.089 63 HB3 ASN 8 1HB ASN 8 5.198 -5.483 -0.681 64 HD21 ASN 8 1HD2 ASN 8 7.467 -7.194 0.210 65 HD22 ASN 8 2HD2 ASN 8 8.422 -6.167 1.231 66 H GLU 9 HN GLU 9 4.248 -4.753 3.451 67 HA GLU 9 HA GLU 9 4.481 -7.394 4.669 68 HB2 GLU 9 2HB GLU 9 5.027 -4.643 5.779 69 HB3 GLU 9 1HB GLU 9 5.308 -6.149 6.624 70 HG2 GLU 9 2HG GLU 9 6.915 -6.788 4.863 71 HG3 GLU 9 1HG GLU 9 6.678 -5.210 4.121 72 H VAL 10 HN VAL 10 2.075 -5.331 3.941 73 HA VAL 10 HA VAL 10 0.586 -5.753 6.440 74 HB VAL 10 HB VAL 10 -0.303 -4.050 4.117 75 HG11 VAL 10 1HG1 VAL 10 -2.018 -4.617 5.745 76 HG12 VAL 10 2HG1 VAL 10 -1.632 -2.899 5.823 77 HG13 VAL 10 3HG1 VAL 10 -1.006 -4.000 7.050 78 HG21 VAL 10 3HG2 VAL 10 0.622 -2.099 5.308 79 HG22 VAL 10 1HG2 VAL 10 1.876 -3.216 4.767 80 HG23 VAL 10 2HG2 VAL 10 1.389 -3.191 6.462 81 H GLU 11 HN GLU 11 -1.702 -6.466 6.201 82 HA GLU 11 HA GLU 11 -1.833 -8.452 4.039 83 HB2 GLU 11 2HB GLU 11 -1.812 -9.126 6.533 84 HB3 GLU 11 1HB GLU 11 -3.482 -8.584 6.542 85 HG2 GLU 11 2HG GLU 11 -4.151 -10.248 5.037 86 HG3 GLU 11 1HG GLU 11 -2.491 -10.594 4.553 87 H ILE 12 HN ILE 12 -4.210 -9.131 3.619 88 HA ILE 12 HA ILE 12 -5.223 -7.006 2.082 89 HB ILE 12 HB ILE 12 -7.048 -8.564 1.491 90 HG12 ILE 12 2HG1 ILE 12 -5.707 -10.389 3.501 91 HG13 ILE 12 1HG1 ILE 12 -7.288 -9.642 3.699 92 HG21 ILE 12 1HG2 ILE 12 -4.294 -9.794 1.488 93 HG22 ILE 12 2HG2 ILE 12 -4.914 -8.639 0.308 94 HG23 ILE 12 3HG2 ILE 12 -5.631 -10.246 0.430 95 HD11 ILE 12 3HD1 ILE 12 -7.483 -11.969 3.045 96 HD12 ILE 12 1HD1 ILE 12 -6.536 -11.652 1.592 97 HD13 ILE 12 2HD1 ILE 12 -8.122 -10.908 1.789 98 H LYS 13 HN LYS 13 -7.312 -6.087 2.058 99 HA LYS 13 HA LYS 13 -9.147 -5.070 2.867 100 HB2 LYS 13 2HB LYS 13 -9.149 -7.544 4.579 101 HB3 LYS 13 1HB LYS 13 -10.431 -6.341 4.668 102 HG2 LYS 13 2HG LYS 13 -10.968 -6.678 2.335 103 HG3 LYS 13 1HG LYS 13 -9.615 -7.795 2.156 104 HD2 LYS 13 2HD LYS 13 -11.942 -8.235 4.024 105 HD3 LYS 13 1HD LYS 13 -11.842 -8.897 2.391 106 HE2 LYS 13 2HE LYS 13 -9.749 -10.046 3.026 107 HE3 LYS 13 1HE LYS 13 -9.947 -9.445 4.670 108 HZ1 LYS 13 3HZ LYS 13 -12.027 -10.662 4.829 109 HZ2 LYS 13 1HZ LYS 13 -10.752 -11.713 4.443 110 HZ3 LYS 13 2HZ LYS 13 -11.848 -11.231 3.244 111 H SER 14 HN SER 14 -6.575 -4.340 3.935 112 HA SER 14 HA SER 14 -7.481 -3.133 6.464 113 HB2 SER 14 2HB SER 14 -4.602 -3.744 5.761 114 HB3 SER 14 1HB SER 14 -5.247 -3.242 7.322 115 HG SER 14 HG SER 14 -5.175 -5.740 6.154 116 H LYS 15 HN LYS 15 -6.828 -0.935 6.795 117 HA LYS 15 HA LYS 15 -6.064 0.436 4.315 118 HB2 LYS 15 2HB LYS 15 -8.147 1.273 5.187 119 HB3 LYS 15 1HB LYS 15 -7.457 1.466 6.794 120 HG2 LYS 15 2HG LYS 15 -5.993 3.224 5.983 121 HG3 LYS 15 1HG LYS 15 -6.608 3.002 4.345 122 HD2 LYS 15 2HD LYS 15 -8.387 3.734 6.659 123 HD3 LYS 15 1HD LYS 15 -7.562 4.944 5.677 124 HE2 LYS 15 2HE LYS 15 -8.649 3.878 3.666 125 HE3 LYS 15 1HE LYS 15 -9.625 2.937 4.795 126 HZ1 LYS 15 3HZ LYS 15 -10.781 4.928 4.050 127 HZ2 LYS 15 1HZ LYS 15 -9.532 5.908 4.655 128 HZ3 LYS 15 2HZ LYS 15 -10.488 4.992 5.721 129 H VAL 16 HN VAL 16 -4.177 1.409 4.143 130 HA VAL 16 HA VAL 16 -2.583 1.810 6.590 131 HB VAL 16 HB VAL 16 -0.560 1.509 5.220 132 HG11 VAL 16 1HG1 VAL 16 -0.755 -0.926 4.899 133 HG12 VAL 16 2HG1 VAL 16 -2.502 -0.795 5.105 134 HG13 VAL 16 3HG1 VAL 16 -1.424 -0.392 6.441 135 HG21 VAL 16 3HG2 VAL 16 -2.503 0.778 3.031 136 HG22 VAL 16 1HG2 VAL 16 -0.757 0.540 2.961 137 HG23 VAL 16 2HG2 VAL 16 -1.420 2.171 3.056 138 H LYS 17 HN LYS 17 -0.907 3.500 6.325 139 HA LYS 17 HA LYS 17 -1.908 5.752 4.710 140 HB2 LYS 17 2HB LYS 17 -2.425 6.117 7.023 141 HB3 LYS 17 1HB LYS 17 -0.791 5.719 7.494 142 HG2 LYS 17 2HG LYS 17 0.002 7.748 6.353 143 HG3 LYS 17 1HG LYS 17 -1.681 8.162 5.986 144 HD2 LYS 17 2HD LYS 17 -2.224 8.398 8.268 145 HD3 LYS 17 1HD LYS 17 -0.745 7.589 8.781 146 HE2 LYS 17 2HE LYS 17 0.482 9.553 7.691 147 HE3 LYS 17 1HE LYS 17 -1.087 10.362 7.688 148 HZ1 LYS 17 3HZ LYS 17 0.157 10.923 9.676 149 HZ2 LYS 17 1HZ LYS 17 0.314 9.278 10.072 150 HZ3 LYS 17 2HZ LYS 17 -1.215 10.014 10.090 151 H VAL 18 HN VAL 18 -0.462 6.872 3.613 152 HA VAL 18 HA VAL 18 2.108 5.632 3.204 153 HB VAL 18 HB VAL 18 0.967 8.107 1.886 154 HG11 VAL 18 1HG1 VAL 18 3.398 8.004 1.720 155 HG12 VAL 18 2HG1 VAL 18 2.653 7.699 0.151 156 HG13 VAL 18 3HG1 VAL 18 3.298 6.357 1.096 157 HG21 VAL 18 3HG2 VAL 18 0.998 5.236 0.960 158 HG22 VAL 18 1HG2 VAL 18 0.451 6.616 0.007 159 HG23 VAL 18 2HG2 VAL 18 -0.421 6.153 1.469 160 H ILE 19 HN ILE 19 3.323 5.993 5.013 161 HA ILE 19 HA ILE 19 3.790 8.509 6.209 162 HB ILE 19 HB ILE 19 5.749 6.221 6.079 163 HG12 ILE 19 2HG1 ILE 19 3.483 6.673 8.031 164 HG13 ILE 19 1HG1 ILE 19 3.595 5.373 6.852 165 HG21 ILE 19 1HG2 ILE 19 6.532 7.125 8.224 166 HG22 ILE 19 2HG2 ILE 19 5.370 8.443 8.081 167 HG23 ILE 19 3HG2 ILE 19 6.686 8.296 6.915 168 HD11 ILE 19 3HD1 ILE 19 4.154 4.575 9.061 169 HD12 ILE 19 1HD1 ILE 19 5.418 5.796 9.207 170 HD13 ILE 19 2HD1 ILE 19 5.569 4.509 8.010 171 H GLY 20 HN GLY 20 5.568 6.652 3.762 172 HA2 GLY 20 2HA GLY 20 6.412 8.986 2.388 173 HA3 GLY 20 1HA GLY 20 7.711 8.355 3.386 174 H ILE 21 HN ILE 21 8.323 8.438 0.922 175 HA ILE 21 HA ILE 21 7.965 5.738 -0.192 176 HB ILE 21 HB ILE 21 8.439 8.319 -1.716 177 HG12 ILE 21 2HG1 ILE 21 5.941 6.618 -1.500 178 HG13 ILE 21 1HG1 ILE 21 6.169 8.213 -0.791 179 HG21 ILE 21 1HG2 ILE 21 9.438 6.386 -2.821 180 HG22 ILE 21 2HG2 ILE 21 8.056 6.993 -3.732 181 HG23 ILE 21 3HG2 ILE 21 7.892 5.537 -2.749 182 HD11 ILE 21 3HD1 ILE 21 4.830 8.337 -2.805 183 HD12 ILE 21 1HD1 ILE 21 6.122 7.572 -3.731 184 HD13 ILE 21 2HD1 ILE 21 6.367 9.171 -3.031 185 H VAL 22 HN VAL 22 9.910 4.942 -1.361 186 HA VAL 22 HA VAL 22 12.363 6.018 -0.143 187 HB VAL 22 HB VAL 22 11.970 3.379 -1.566 188 HG11 VAL 22 1HG1 VAL 22 14.274 4.194 -1.665 189 HG12 VAL 22 2HG1 VAL 22 14.142 2.779 -0.622 190 HG13 VAL 22 3HG1 VAL 22 14.284 4.386 0.088 191 HG21 VAL 22 3HG2 VAL 22 12.110 3.984 1.385 192 HG22 VAL 22 1HG2 VAL 22 12.084 2.373 0.670 193 HG23 VAL 22 2HG2 VAL 22 10.688 3.437 0.495 194 HA PRO 23 HA PRO 23 12.287 8.069 -4.187 195 HB2 PRO 23 2HB PRO 23 14.661 9.408 -3.013 196 HB3 PRO 23 1HB PRO 23 13.214 10.111 -3.743 197 HG2 PRO 23 2HG PRO 23 13.556 10.167 -1.110 198 HG3 PRO 23 1HG PRO 23 11.956 9.859 -1.812 199 HD2 PRO 23 2HD PRO 23 13.911 7.924 -0.631 200 HD3 PRO 23 1HD PRO 23 12.145 7.989 -0.455 201 H GLU 24 HN GLU 24 13.745 8.429 -5.924 202 HA GLU 24 HA GLU 24 15.242 7.779 -7.476 203 HB2 GLU 24 2HB GLU 24 16.788 8.394 -5.476 204 HB3 GLU 24 1HB GLU 24 17.035 6.658 -5.353 205 HG2 GLU 24 2HG GLU 24 17.946 6.561 -7.555 206 HG3 GLU 24 1HG GLU 24 17.509 8.242 -7.864 207 H SER 25 HN SER 25 13.330 5.810 -6.000 208 HA SER 25 HA SER 25 14.356 3.293 -6.974 209 HB2 SER 25 2HB SER 25 12.001 4.249 -5.428 210 HB3 SER 25 1HB SER 25 11.786 2.792 -6.384 211 HG SER 25 HG SER 25 12.583 2.644 -4.090 212 H LYS 26 HN LYS 26 13.360 2.134 -8.716 213 HA LYS 26 HA LYS 26 12.441 3.808 -10.856 214 HB2 LYS 26 2HB LYS 26 12.659 0.800 -10.650 215 HB3 LYS 26 1HB LYS 26 12.231 1.666 -12.117 216 HG2 LYS 26 2HG LYS 26 14.840 1.899 -10.632 217 HG3 LYS 26 1HG LYS 26 14.567 1.001 -12.126 218 HD2 LYS 26 2HD LYS 26 13.856 3.155 -13.189 219 HD3 LYS 26 1HD LYS 26 14.378 3.985 -11.721 220 HE2 LYS 26 2HE LYS 26 16.638 3.053 -12.039 221 HE3 LYS 26 1HE LYS 26 16.099 2.310 -13.543 222 HZ1 LYS 26 3HZ LYS 26 16.370 5.203 -12.941 223 HZ2 LYS 26 1HZ LYS 26 15.520 4.626 -14.295 224 HZ3 LYS 26 2HZ LYS 26 17.173 4.297 -14.129 225 H VAL 27 HN VAL 27 10.995 1.437 -8.675 226 HA VAL 27 HA VAL 27 8.411 1.477 -9.842 227 HB VAL 27 HB VAL 27 7.612 0.498 -7.732 228 HG11 VAL 27 1HG1 VAL 27 8.602 -0.947 -9.414 229 HG12 VAL 27 2HG1 VAL 27 8.973 -1.540 -7.794 230 HG13 VAL 27 3HG1 VAL 27 10.202 -0.683 -8.723 231 HG21 VAL 27 3HG2 VAL 27 9.184 0.031 -5.908 232 HG22 VAL 27 1HG2 VAL 27 8.974 1.763 -6.161 233 HG23 VAL 27 2HG2 VAL 27 10.428 0.958 -6.750 234 H ARG 28 HN ARG 28 10.094 3.676 -7.853 235 HA ARG 28 HA ARG 28 8.042 5.055 -6.562 236 HB2 ARG 28 2HB ARG 28 10.295 5.477 -5.948 237 HB3 ARG 28 1HB ARG 28 10.756 5.862 -7.594 238 HG2 ARG 28 2HG ARG 28 8.809 7.604 -6.147 239 HG3 ARG 28 1HG ARG 28 10.537 7.744 -5.828 240 HD2 ARG 28 2HD ARG 28 9.045 8.248 -8.384 241 HD3 ARG 28 1HD ARG 28 10.131 9.326 -7.508 242 HE ARG 28 HE ARG 28 11.764 7.306 -8.209 243 HH11 ARG 28 1HH1 ARG 28 9.493 9.232 -10.043 244 HH12 ARG 28 2HH1 ARG 28 10.378 9.083 -11.533 245 HH21 ARG 28 1HH2 ARG 28 12.918 7.077 -10.168 246 HH22 ARG 28 2HH2 ARG 28 12.299 7.827 -11.612 247 H ARG 29 HN ARG 29 9.188 5.177 -9.871 248 HA ARG 29 HA ARG 29 7.740 7.450 -10.717 249 HB2 ARG 29 2HB ARG 29 9.603 6.393 -11.991 250 HB3 ARG 29 1HB ARG 29 8.572 5.015 -12.322 251 HG2 ARG 29 2HG ARG 29 7.781 7.774 -13.180 252 HG3 ARG 29 1HG ARG 29 8.887 6.795 -14.142 253 HD2 ARG 29 2HD ARG 29 7.157 4.996 -14.162 254 HD3 ARG 29 1HD ARG 29 6.055 6.117 -13.364 255 HE ARG 29 HE ARG 29 7.010 7.389 -15.646 256 HH11 ARG 29 1HH1 ARG 29 5.043 4.622 -14.810 257 HH12 ARG 29 2HH1 ARG 29 4.163 4.620 -16.305 258 HH21 ARG 29 1HH2 ARG 29 5.872 7.403 -17.612 259 HH22 ARG 29 2HH2 ARG 29 4.647 6.207 -17.917 260 H LYS 30 HN LYS 30 7.009 3.998 -10.748 261 HA LYS 30 HA LYS 30 4.454 4.104 -11.898 262 HB2 LYS 30 2HB LYS 30 5.699 2.028 -11.661 263 HB3 LYS 30 1HB LYS 30 5.662 2.163 -9.915 264 HG2 LYS 30 2HG LYS 30 4.057 0.550 -10.455 265 HG3 LYS 30 1HG LYS 30 3.145 2.013 -10.087 266 HD2 LYS 30 2HD LYS 30 2.868 2.464 -12.455 267 HD3 LYS 30 1HD LYS 30 3.855 1.057 -12.858 268 HE2 LYS 30 2HE LYS 30 1.224 1.007 -11.384 269 HE3 LYS 30 1HE LYS 30 1.461 0.577 -13.077 270 HZ1 LYS 30 3HZ LYS 30 1.367 -1.362 -11.589 271 HZ2 LYS 30 1HZ LYS 30 2.758 -0.824 -10.786 272 HZ3 LYS 30 2HZ LYS 30 2.833 -1.269 -12.425 273 H ILE 31 HN ILE 31 5.463 4.028 -8.506 274 HA ILE 31 HA ILE 31 3.004 4.054 -7.245 275 HB ILE 31 HB ILE 31 5.553 5.418 -6.349 276 HG12 ILE 31 2HG1 ILE 31 4.470 2.689 -5.633 277 HG13 ILE 31 1HG1 ILE 31 5.693 2.965 -6.869 278 HG21 ILE 31 1HG2 ILE 31 3.634 6.240 -5.095 279 HG22 ILE 31 2HG2 ILE 31 4.652 5.218 -4.081 280 HG23 ILE 31 3HG2 ILE 31 3.144 4.585 -4.738 281 HD11 ILE 31 3HD1 ILE 31 6.691 2.239 -4.782 282 HD12 ILE 31 1HD1 ILE 31 5.963 3.606 -3.941 283 HD13 ILE 31 2HD1 ILE 31 7.191 3.883 -5.176 284 H MET 32 HN MET 32 4.966 6.909 -8.136 285 HA MET 32 HA MET 32 3.022 8.745 -7.147 286 HB2 MET 32 2HB MET 32 5.429 9.121 -8.928 287 HB3 MET 32 1HB MET 32 4.393 10.451 -8.423 288 HG2 MET 32 2HG MET 32 4.893 9.954 -6.088 289 HG3 MET 32 1HG MET 32 5.937 8.626 -6.594 290 HE1 MET 32 3HE MET 32 6.787 11.064 -4.652 291 HE2 MET 32 1HE MET 32 8.418 11.379 -5.248 292 HE3 MET 32 2HE MET 32 7.851 9.718 -5.063 293 H ASP 33 HN ASP 33 3.656 7.313 -10.284 294 HA ASP 33 HA ASP 33 1.900 9.028 -11.745 295 HB2 ASP 33 2HB ASP 33 3.745 7.671 -12.770 296 HB3 ASP 33 1HB ASP 33 2.794 6.225 -12.454 297 H MET 34 HN MET 34 1.508 6.288 -9.736 298 HA MET 34 HA MET 34 -1.073 5.499 -10.705 299 HB2 MET 34 2HB MET 34 0.798 4.215 -9.281 300 HB3 MET 34 1HB MET 34 -0.196 4.798 -7.952 301 HG2 MET 34 2HG MET 34 -0.891 2.592 -8.537 302 HG3 MET 34 1HG MET 34 -2.152 3.730 -9.001 303 HE1 MET 34 3HE MET 34 -2.414 0.968 -11.777 304 HE2 MET 34 1HE MET 34 -3.298 1.899 -10.568 305 HE3 MET 34 2HE MET 34 -2.064 0.746 -10.062 306 H GLY 35 HN GLY 35 0.144 7.843 -8.499 307 HA2 GLY 35 2HA GLY 35 -1.382 9.684 -7.991 308 HA3 GLY 35 1HA GLY 35 -2.628 8.478 -7.709 309 H ILE 36 HN ILE 36 0.251 7.347 -6.479 310 HA ILE 36 HA ILE 36 -0.591 8.031 -3.765 311 HB ILE 36 HB ILE 36 1.630 6.170 -4.608 312 HG12 ILE 36 2HG1 ILE 36 -1.200 5.433 -3.845 313 HG13 ILE 36 1HG1 ILE 36 -0.631 5.534 -5.505 314 HG21 ILE 36 1HG2 ILE 36 1.362 5.233 -2.361 315 HG22 ILE 36 2HG2 ILE 36 0.118 6.433 -2.013 316 HG23 ILE 36 3HG2 ILE 36 1.779 6.945 -2.306 317 HD11 ILE 36 3HD1 ILE 36 0.402 3.664 -3.387 318 HD12 ILE 36 1HD1 ILE 36 0.992 3.762 -5.046 319 HD13 ILE 36 2HD1 ILE 36 -0.662 3.238 -4.727 320 H VAL 37 HN VAL 37 0.493 9.439 -2.515 321 HA VAL 37 HA VAL 37 3.125 10.340 -3.459 322 HB VAL 37 HB VAL 37 2.397 12.721 -2.778 323 HG11 VAL 37 1HG1 VAL 37 2.944 12.077 -5.057 324 HG12 VAL 37 2HG1 VAL 37 1.546 13.154 -5.046 325 HG13 VAL 37 3HG1 VAL 37 1.323 11.419 -5.280 326 HG21 VAL 37 3HG2 VAL 37 0.255 12.143 -1.767 327 HG22 VAL 37 1HG2 VAL 37 -0.305 11.477 -3.302 328 HG23 VAL 37 2HG2 VAL 37 0.017 13.205 -3.155 329 H ARG 38 HN ARG 38 0.974 11.368 -0.808 330 HA ARG 38 HA ARG 38 2.702 10.383 1.236 331 HB2 ARG 38 2HB ARG 38 4.159 12.163 0.606 332 HB3 ARG 38 1HB ARG 38 2.826 13.297 0.463 333 HG2 ARG 38 2HG ARG 38 2.511 13.250 2.879 334 HG3 ARG 38 1HG ARG 38 3.830 12.086 3.032 335 HD2 ARG 38 2HD ARG 38 5.434 13.657 2.331 336 HD3 ARG 38 1HD ARG 38 4.205 14.759 1.717 337 HE ARG 38 HE ARG 38 3.776 14.463 4.456 338 HH11 ARG 38 1HH1 ARG 38 6.287 15.657 2.343 339 HH12 ARG 38 2HH1 ARG 38 6.767 16.939 3.412 340 HH21 ARG 38 1HH2 ARG 38 4.407 16.117 5.890 341 HH22 ARG 38 2HH2 ARG 38 5.686 17.212 5.439 342 H GLY 39 HN GLY 39 1.513 10.115 3.009 343 HA2 GLY 39 2HA GLY 39 -0.154 10.421 4.573 344 HA3 GLY 39 1HA GLY 39 -0.504 11.977 3.834 345 H THR 40 HN THR 40 -0.498 9.637 1.488 346 HA THR 40 HA THR 40 -3.312 9.802 1.101 347 HB THR 40 HB THR 40 -1.594 7.794 -0.293 348 HG1 THR 40 1HG THR 40 -1.647 10.604 -0.858 349 HG21 THR 40 3HG2 THR 40 -3.961 7.908 -0.863 350 HG22 THR 40 1HG2 THR 40 -2.978 8.464 -2.217 351 HG23 THR 40 2HG2 THR 40 -3.813 9.634 -1.194 352 H GLU 41 HN GLU 41 -4.861 8.172 1.395 353 HA GLU 41 HA GLU 41 -4.082 6.010 3.179 354 HB2 GLU 41 2HB GLU 41 -6.780 7.059 2.327 355 HB3 GLU 41 1HB GLU 41 -6.565 5.645 3.332 356 HG2 GLU 41 2HG GLU 41 -5.289 7.156 4.927 357 HG3 GLU 41 1HG GLU 41 -5.943 8.496 3.984 358 H ILE 42 HN ILE 42 -3.941 3.995 2.573 359 HA ILE 42 HA ILE 42 -4.908 3.251 -0.110 360 HB ILE 42 HB ILE 42 -2.443 2.316 1.360 361 HG12 ILE 42 2HG1 ILE 42 -2.756 3.807 -1.252 362 HG13 ILE 42 1HG1 ILE 42 -2.215 4.507 0.269 363 HG21 ILE 42 1HG2 ILE 42 -3.519 1.389 -1.299 364 HG22 ILE 42 2HG2 ILE 42 -3.515 0.453 0.195 365 HG23 ILE 42 3HG2 ILE 42 -1.989 0.896 -0.572 366 HD11 ILE 42 3HD1 ILE 42 -0.347 4.077 -1.215 367 HD12 ILE 42 1HD1 ILE 42 -0.788 2.371 -1.297 368 HD13 ILE 42 2HD1 ILE 42 -0.244 3.068 0.228 369 H TYR 43 HN TYR 43 -6.582 1.879 0.061 370 HA TYR 43 HA TYR 43 -6.663 0.088 2.389 371 HB2 TYR 43 2HB TYR 43 -8.671 1.584 1.705 372 HB3 TYR 43 1HB TYR 43 -8.913 0.420 0.406 373 HD1 TYR 43 2HD TYR 43 -9.228 -2.045 1.074 374 HD2 TYR 43 1HD TYR 43 -9.503 1.168 3.850 375 HE1 TYR 43 2HE TYR 43 -10.450 -3.499 2.631 376 HE2 TYR 43 1HE TYR 43 -10.721 -0.282 5.418 377 HH TYR 43 HH TYR 43 -10.769 -3.563 5.206 378 H ILE 44 HN ILE 44 -5.975 -1.922 2.108 379 HA ILE 44 HA ILE 44 -5.364 -2.901 -0.526 380 HB ILE 44 HB ILE 44 -5.238 -4.369 2.116 381 HG12 ILE 44 2HG1 ILE 44 -3.086 -2.864 0.610 382 HG13 ILE 44 1HG1 ILE 44 -3.845 -2.338 2.109 383 HG21 ILE 44 1HG2 ILE 44 -3.675 -5.861 0.956 384 HG22 ILE 44 2HG2 ILE 44 -3.936 -4.963 -0.540 385 HG23 ILE 44 3HG2 ILE 44 -5.264 -5.866 0.189 386 HD11 ILE 44 3HD1 ILE 44 -2.903 -4.264 3.263 387 HD12 ILE 44 1HD1 ILE 44 -1.644 -3.292 2.502 388 HD13 ILE 44 2HD1 ILE 44 -2.158 -4.807 1.759 389 H GLU 45 HN GLU 45 -6.666 -4.042 -1.808 390 HA GLU 45 HA GLU 45 -9.252 -4.882 -0.813 391 HB2 GLU 45 2HB GLU 45 -8.018 -4.900 -3.572 392 HB3 GLU 45 1HB GLU 45 -9.639 -5.485 -3.228 393 HG2 GLU 45 2HG GLU 45 -8.656 -2.684 -2.746 394 HG3 GLU 45 1HG GLU 45 -9.639 -3.207 -4.113 395 H GLY 46 HN GLY 46 -6.630 -6.446 -2.660 396 HA2 GLY 46 2HA GLY 46 -6.711 -8.794 -1.036 397 HA3 GLY 46 1HA GLY 46 -7.522 -9.042 -2.575 398 H LYS 47 HN LYS 47 -5.432 -10.610 -2.100 399 HA LYS 47 HA LYS 47 -3.310 -9.479 -3.800 400 HB2 LYS 47 2HB LYS 47 -3.011 -11.464 -1.531 401 HB3 LYS 47 1HB LYS 47 -1.723 -10.980 -2.621 402 HG2 LYS 47 2HG LYS 47 -1.584 -8.845 -1.720 403 HG3 LYS 47 1HG LYS 47 -3.192 -8.941 -0.998 404 HD2 LYS 47 2HD LYS 47 -1.423 -9.119 0.694 405 HD3 LYS 47 1HD LYS 47 -2.394 -10.587 0.605 406 HE2 LYS 47 2HE LYS 47 -0.620 -11.551 -0.885 407 HE3 LYS 47 1HE LYS 47 0.364 -10.136 -0.516 408 HZ1 LYS 47 3HZ LYS 47 -0.654 -12.132 1.435 409 HZ2 LYS 47 1HZ LYS 47 0.217 -10.734 1.848 410 HZ3 LYS 47 2HZ LYS 47 0.954 -11.955 0.924 411 H ALA 48 HN ALA 48 -2.539 -10.780 -5.429 412 HA ALA 48 HA ALA 48 -4.174 -12.905 -6.357 413 HB1 ALA 48 1HB ALA 48 -2.470 -13.151 -8.103 414 HB2 ALA 48 2HB ALA 48 -1.398 -12.073 -7.209 415 HB3 ALA 48 3HB ALA 48 -2.914 -11.460 -7.873 416 HA PRO 49 HA PRO 49 -2.672 -16.606 -4.494 417 HB2 PRO 49 2HB PRO 49 -1.583 -17.985 -6.690 418 HB3 PRO 49 1HB PRO 49 -3.242 -18.084 -6.100 419 HG2 PRO 49 2HG PRO 49 -2.118 -16.470 -8.338 420 HG3 PRO 49 1HG PRO 49 -3.704 -17.254 -8.198 421 HD2 PRO 49 2HD PRO 49 -3.437 -14.610 -7.912 422 HD3 PRO 49 1HD PRO 49 -4.575 -15.530 -6.903 423 H MET 50 HN MET 50 -0.348 -15.250 -6.833 424 HA MET 50 HA MET 50 1.892 -16.408 -5.392 425 HB2 MET 50 2HB MET 50 1.920 -16.268 -7.851 426 HB3 MET 50 1HB MET 50 1.816 -14.517 -7.754 427 HG2 MET 50 2HG MET 50 3.995 -14.489 -6.595 428 HG3 MET 50 1HG MET 50 4.099 -16.235 -6.814 429 HE1 MET 50 3HE MET 50 2.583 -13.651 -9.366 430 HE2 MET 50 1HE MET 50 4.006 -13.231 -10.317 431 HE3 MET 50 2HE MET 50 3.908 -12.757 -8.620 432 H GLY 51 HN GLY 51 -0.022 -13.696 -5.057 433 HA2 GLY 51 2HA GLY 51 0.237 -12.008 -3.440 434 HA3 GLY 51 1HA GLY 51 1.958 -12.356 -3.380 435 H ASP 52 HN ASP 52 1.312 -12.313 -6.522 436 HA ASP 52 HA ASP 52 1.303 -9.420 -6.904 437 HB2 ASP 52 2HB ASP 52 3.693 -10.133 -6.853 438 HB3 ASP 52 1HB ASP 52 3.366 -11.253 -8.170 439 HA PRO 53 HA PRO 53 0.957 -8.049 -8.269 440 HB2 PRO 53 2HB PRO 53 -1.129 -6.737 -9.328 441 HB3 PRO 53 1HB PRO 53 0.224 -7.280 -10.328 442 HG2 PRO 53 2HG PRO 53 -2.484 -8.501 -9.974 443 HG3 PRO 53 1HG PRO 53 -1.522 -8.314 -11.451 444 HD2 PRO 53 2HD PRO 53 -1.687 -10.640 -9.982 445 HD3 PRO 53 1HD PRO 53 -0.345 -10.228 -11.065 446 H ILE 54 HN ILE 54 -0.505 -6.302 -7.165 447 HA ILE 54 HA ILE 54 -2.247 -7.704 -5.241 448 HB ILE 54 HB ILE 54 -0.683 -5.154 -4.776 449 HG12 ILE 54 2HG1 ILE 54 -0.101 -7.969 -3.814 450 HG13 ILE 54 1HG1 ILE 54 0.808 -7.104 -5.050 451 HG21 ILE 54 1HG2 ILE 54 -1.255 -5.503 -2.418 452 HG22 ILE 54 2HG2 ILE 54 -2.209 -6.920 -2.861 453 HG23 ILE 54 3HG2 ILE 54 -2.698 -5.318 -3.415 454 HD11 ILE 54 3HD1 ILE 54 1.970 -7.073 -2.923 455 HD12 ILE 54 1HD1 ILE 54 0.574 -6.321 -2.153 456 HD13 ILE 54 2HD1 ILE 54 1.478 -5.445 -3.387 457 H ALA 55 HN ALA 55 -4.213 -6.765 -4.684 458 HA ALA 55 HA ALA 55 -5.146 -4.666 -6.513 459 HB1 ALA 55 1HB ALA 55 -6.433 -6.745 -6.531 460 HB2 ALA 55 2HB ALA 55 -7.404 -5.401 -5.929 461 HB3 ALA 55 3HB ALA 55 -6.736 -6.580 -4.800 462 H LEU 56 HN LEU 56 -5.282 -2.682 -5.758 463 HA LEU 56 HA LEU 56 -5.572 -2.270 -2.849 464 HB2 LEU 56 2HB LEU 56 -4.150 -0.550 -4.890 465 HB3 LEU 56 1HB LEU 56 -4.407 -0.097 -3.221 466 HG LEU 56 HG LEU 56 -3.009 -2.128 -2.590 467 HD11 LEU 56 1HD1 LEU 56 -1.454 -2.951 -4.289 468 HD12 LEU 56 2HD1 LEU 56 -2.289 -1.997 -5.516 469 HD13 LEU 56 3HD1 LEU 56 -3.125 -3.325 -4.712 470 HD21 LEU 56 3HD2 LEU 56 -1.717 0.089 -4.174 471 HD22 LEU 56 1HD2 LEU 56 -0.915 -0.940 -2.988 472 HD23 LEU 56 2HD2 LEU 56 -2.189 0.167 -2.477 473 H ARG 57 HN ARG 57 -6.666 -0.205 -2.288 474 HA ARG 57 HA ARG 57 -8.252 0.931 -4.491 475 HB2 ARG 57 2HB ARG 57 -9.606 -0.343 -2.734 476 HB3 ARG 57 1HB ARG 57 -9.147 0.923 -1.610 477 HG2 ARG 57 2HG ARG 57 -10.165 2.577 -3.175 478 HG3 ARG 57 1HG ARG 57 -10.783 1.214 -4.110 479 HD2 ARG 57 2HD ARG 57 -11.880 0.409 -1.995 480 HD3 ARG 57 1HD ARG 57 -11.436 1.950 -1.266 481 HE ARG 57 HE ARG 57 -13.258 1.631 -3.571 482 HH11 ARG 57 1HH1 ARG 57 -12.137 3.421 -0.765 483 HH12 ARG 57 2HH1 ARG 57 -13.421 4.589 -0.847 484 HH21 ARG 57 1HH2 ARG 57 -14.953 3.142 -3.665 485 HH22 ARG 57 2HH2 ARG 57 -15.039 4.423 -2.497 486 H LEU 58 HN LEU 58 -7.323 2.789 -4.969 487 HA LEU 58 HA LEU 58 -6.111 4.364 -2.800 488 HB2 LEU 58 2HB LEU 58 -4.455 3.114 -4.145 489 HB3 LEU 58 1HB LEU 58 -5.015 3.926 -5.583 490 HG LEU 58 HG LEU 58 -2.836 4.716 -4.498 491 HD11 LEU 58 1HD1 LEU 58 -3.275 7.063 -5.045 492 HD12 LEU 58 2HD1 LEU 58 -5.004 6.715 -5.104 493 HD13 LEU 58 3HD1 LEU 58 -3.913 5.961 -6.266 494 HD21 LEU 58 3HD2 LEU 58 -4.795 6.010 -2.615 495 HD22 LEU 58 1HD2 LEU 58 -3.069 6.359 -2.715 496 HD23 LEU 58 2HD2 LEU 58 -3.618 4.764 -2.199 497 H ARG 59 HN ARG 59 -6.220 6.546 -2.975 498 HA ARG 59 HA ARG 59 -7.006 8.604 -3.536 499 HB2 ARG 59 2HB ARG 59 -6.167 7.736 -5.875 500 HB3 ARG 59 1HB ARG 59 -7.879 7.643 -6.238 501 HG2 ARG 59 2HG ARG 59 -6.537 10.156 -5.274 502 HG3 ARG 59 1HG ARG 59 -6.702 9.732 -6.977 503 HD2 ARG 59 2HD ARG 59 -9.185 9.562 -6.566 504 HD3 ARG 59 1HD ARG 59 -8.887 10.289 -4.987 505 HE ARG 59 HE ARG 59 -7.691 11.896 -6.951 506 HH11 ARG 59 1HH1 ARG 59 -10.861 10.993 -5.761 507 HH12 ARG 59 2HH1 ARG 59 -11.645 12.414 -6.391 508 HH21 ARG 59 1HH2 ARG 59 -8.708 13.787 -7.736 509 HH22 ARG 59 2HH2 ARG 59 -10.422 13.993 -7.528 510 H GLY 60 HN GLY 60 -9.181 6.463 -5.373 511 HA2 GLY 60 2HA GLY 60 -11.265 6.724 -3.407 512 HA3 GLY 60 1HA GLY 60 -11.575 7.657 -4.862 513 H TYR 61 HN TYR 61 -9.765 5.012 -5.718 514 HA TYR 61 HA TYR 61 -12.005 3.207 -6.054 515 HB2 TYR 61 2HB TYR 61 -11.460 3.059 -8.566 516 HB3 TYR 61 1HB TYR 61 -12.418 4.424 -8.015 517 HD1 TYR 61 2HD TYR 61 -9.031 3.395 -9.101 518 HD2 TYR 61 1HD TYR 61 -11.650 6.649 -8.301 519 HE1 TYR 61 2HE TYR 61 -7.427 4.936 -10.147 520 HE2 TYR 61 1HE TYR 61 -10.055 8.198 -9.346 521 HH TYR 61 HH TYR 61 -7.347 7.093 -11.166 522 H SER 62 HN SER 62 -11.298 1.173 -7.158 523 HA SER 62 HA SER 62 -8.893 0.285 -5.898 524 HB2 SER 62 2HB SER 62 -10.890 -1.147 -6.028 525 HB3 SER 62 1HB SER 62 -10.728 -1.211 -7.780 526 HG SER 62 HG SER 62 -8.631 -2.005 -6.053 527 H LEU 63 HN LEU 63 -7.073 -0.472 -6.791 528 HA LEU 63 HA LEU 63 -6.581 -0.258 -9.654 529 HB2 LEU 63 2HB LEU 63 -5.020 1.265 -7.560 530 HB3 LEU 63 1HB LEU 63 -4.432 0.985 -9.186 531 HG LEU 63 HG LEU 63 -6.958 2.506 -8.541 532 HD11 LEU 63 1HD1 LEU 63 -4.222 3.552 -9.258 533 HD12 LEU 63 2HD1 LEU 63 -4.988 3.666 -7.673 534 HD13 LEU 63 3HD1 LEU 63 -5.684 4.517 -9.053 535 HD21 LEU 63 3HD2 LEU 63 -6.955 1.497 -10.756 536 HD22 LEU 63 1HD2 LEU 63 -5.377 2.210 -11.095 537 HD23 LEU 63 2HD2 LEU 63 -6.784 3.249 -10.870 538 H SER 64 HN SER 64 -4.573 -1.417 -10.244 539 HA SER 64 HA SER 64 -3.747 -3.253 -8.097 540 HB2 SER 64 2HB SER 64 -5.156 -4.346 -9.825 541 HB3 SER 64 1HB SER 64 -3.948 -3.931 -11.038 542 HG SER 64 HG SER 64 -3.124 -5.300 -8.735 543 H LEU 65 HN LEU 65 -1.706 -3.242 -7.614 544 HA LEU 65 HA LEU 65 0.239 -2.228 -9.582 545 HB2 LEU 65 2HB LEU 65 0.207 -1.829 -6.587 546 HB3 LEU 65 1HB LEU 65 1.598 -1.487 -7.595 547 HG LEU 65 HG LEU 65 0.010 0.114 -8.871 548 HD11 LEU 65 1HD1 LEU 65 -1.484 -0.141 -6.265 549 HD12 LEU 65 2HD1 LEU 65 -2.070 -0.645 -7.849 550 HD13 LEU 65 3HD1 LEU 65 -1.782 1.064 -7.519 551 HD21 LEU 65 3HD2 LEU 65 0.528 1.916 -7.302 552 HD22 LEU 65 1HD2 LEU 65 1.903 0.835 -7.525 553 HD23 LEU 65 2HD2 LEU 65 0.923 0.724 -6.064 554 H ARG 66 HN ARG 66 2.570 -2.961 -8.763 555 HA ARG 66 HA ARG 66 2.367 -5.866 -8.535 556 HB2 ARG 66 2HB ARG 66 4.722 -4.054 -9.092 557 HB3 ARG 66 1HB ARG 66 4.823 -5.806 -9.002 558 HG2 ARG 66 2HG ARG 66 3.095 -4.317 -10.962 559 HG3 ARG 66 1HG ARG 66 4.731 -4.881 -11.308 560 HD2 ARG 66 2HD ARG 66 3.976 -7.192 -10.752 561 HD3 ARG 66 1HD ARG 66 2.334 -6.567 -10.603 562 HE ARG 66 HE ARG 66 3.350 -5.815 -13.104 563 HH11 ARG 66 1HH1 ARG 66 2.453 -8.749 -11.390 564 HH12 ARG 66 2HH1 ARG 66 1.910 -9.562 -12.841 565 HH21 ARG 66 1HH2 ARG 66 2.685 -6.907 -15.002 566 HH22 ARG 66 2HH2 ARG 66 2.080 -8.539 -14.875 567 H LYS 67 HN LYS 67 3.959 -6.977 -7.142 568 HA LYS 67 HA LYS 67 3.851 -6.146 -4.444 569 HB2 LYS 67 2HB LYS 67 4.111 -8.498 -5.223 570 HB3 LYS 67 1HB LYS 67 5.741 -8.119 -5.751 571 HG2 LYS 67 2HG LYS 67 6.335 -7.590 -3.409 572 HG3 LYS 67 1HG LYS 67 4.717 -8.109 -2.922 573 HD2 LYS 67 2HD LYS 67 5.173 -10.326 -3.928 574 HD3 LYS 67 1HD LYS 67 6.816 -9.791 -4.289 575 HE2 LYS 67 2HE LYS 67 7.192 -9.423 -1.883 576 HE3 LYS 67 1HE LYS 67 5.573 -10.040 -1.553 577 HZ1 LYS 67 3HZ LYS 67 6.267 -12.140 -2.648 578 HZ2 LYS 67 1HZ LYS 67 7.131 -11.798 -1.228 579 HZ3 LYS 67 2HZ LYS 67 7.846 -11.532 -2.742 580 H SER 68 HN SER 68 5.963 -5.440 -7.043 581 HA SER 68 HA SER 68 8.306 -4.710 -5.686 582 HB2 SER 68 2HB SER 68 7.280 -3.505 -8.261 583 HB3 SER 68 1HB SER 68 8.959 -3.706 -7.755 584 HG SER 68 HG SER 68 8.907 -5.756 -8.315 585 H GLU 69 HN GLU 69 5.632 -2.682 -6.925 586 HA GLU 69 HA GLU 69 6.490 -0.258 -5.819 587 HB2 GLU 69 2HB GLU 69 3.677 -1.209 -6.384 588 HB3 GLU 69 1HB GLU 69 4.097 0.447 -5.991 589 HG2 GLU 69 2HG GLU 69 4.031 0.598 -8.249 590 HG3 GLU 69 1HG GLU 69 5.724 0.152 -8.042 591 H ALA 70 HN ALA 70 4.462 -2.808 -4.494 592 HA ALA 70 HA ALA 70 3.680 -1.468 -2.140 593 HB1 ALA 70 1HB ALA 70 3.902 -4.433 -2.651 594 HB2 ALA 70 2HB ALA 70 2.500 -3.421 -3.004 595 HB3 ALA 70 3HB ALA 70 3.007 -3.673 -1.334 596 H LYS 71 HN LYS 71 6.620 -3.025 -3.029 597 HA LYS 71 HA LYS 71 7.538 -3.568 -0.374 598 HB2 LYS 71 2HB LYS 71 8.401 -4.821 -2.288 599 HB3 LYS 71 1HB LYS 71 9.049 -3.343 -2.986 600 HG2 LYS 71 2HG LYS 71 10.464 -3.134 -0.899 601 HG3 LYS 71 1HG LYS 71 9.963 -4.782 -0.512 602 HD2 LYS 71 2HD LYS 71 10.910 -5.584 -2.595 603 HD3 LYS 71 1HD LYS 71 11.351 -3.939 -3.053 604 HE2 LYS 71 2HE LYS 71 12.770 -3.829 -1.005 605 HE3 LYS 71 1HE LYS 71 12.425 -5.539 -0.740 606 HZ1 LYS 71 3HZ LYS 71 13.802 -4.367 -3.095 607 HZ2 LYS 71 1HZ LYS 71 13.415 -6.010 -2.915 608 HZ3 LYS 71 2HZ LYS 71 14.522 -5.282 -1.856 609 H ASP 72 HN ASP 72 7.760 -0.870 -2.598 610 HA ASP 72 HA ASP 72 9.917 0.407 -1.177 611 HB2 ASP 72 2HB ASP 72 9.561 0.585 -3.660 612 HB3 ASP 72 1HB ASP 72 8.156 1.591 -3.326 613 H ILE 73 HN ILE 73 6.445 0.930 -1.561 614 HA ILE 73 HA ILE 73 6.291 3.407 -0.248 615 HB ILE 73 HB ILE 73 4.122 1.300 -0.338 616 HG12 ILE 73 2HG1 ILE 73 4.715 3.491 -2.339 617 HG13 ILE 73 1HG1 ILE 73 5.082 1.786 -2.585 618 HG21 ILE 73 1HG2 ILE 73 3.993 4.305 -0.097 619 HG22 ILE 73 2HG2 ILE 73 3.666 3.142 1.188 620 HG23 ILE 73 3HG2 ILE 73 2.607 3.221 -0.219 621 HD11 ILE 73 3HD1 ILE 73 3.048 2.433 -3.738 622 HD12 ILE 73 1HD1 ILE 73 2.334 2.960 -2.215 623 HD13 ILE 73 2HD1 ILE 73 2.708 1.256 -2.472 624 H LEU 74 HN LEU 74 6.736 3.863 1.799 625 HA LEU 74 HA LEU 74 6.585 1.803 3.855 626 HB2 LEU 74 2HB LEU 74 7.494 4.686 4.007 627 HB3 LEU 74 1HB LEU 74 7.620 3.511 5.300 628 HG LEU 74 HG LEU 74 9.054 3.331 2.650 629 HD11 LEU 74 1HD1 LEU 74 9.891 5.154 4.036 630 HD12 LEU 74 2HD1 LEU 74 11.058 3.835 3.942 631 HD13 LEU 74 3HD1 LEU 74 10.078 4.041 5.393 632 HD21 LEU 74 3HD2 LEU 74 10.286 1.500 3.701 633 HD22 LEU 74 1HD2 LEU 74 8.563 1.137 3.612 634 HD23 LEU 74 2HD2 LEU 74 9.280 1.643 5.142 635 H VAL 75 HN VAL 75 4.814 1.561 5.064 636 HA VAL 75 HA VAL 75 2.975 3.853 5.324 637 HB VAL 75 HB VAL 75 1.068 2.265 5.133 638 HG11 VAL 75 1HG1 VAL 75 1.150 2.046 2.690 639 HG12 VAL 75 2HG1 VAL 75 2.872 2.423 2.722 640 HG13 VAL 75 3HG1 VAL 75 1.694 3.634 3.230 641 HG21 VAL 75 3HG2 VAL 75 3.202 0.333 4.231 642 HG22 VAL 75 1HG2 VAL 75 1.464 0.074 4.078 643 HG23 VAL 75 2HG2 VAL 75 2.199 0.194 5.676 644 H GLU 76 HN GLU 76 1.543 3.786 7.133 645 HA GLU 76 HA GLU 76 2.407 1.959 9.270 646 HB2 GLU 76 2HB GLU 76 1.612 3.664 10.883 647 HB3 GLU 76 1HB GLU 76 2.950 4.220 9.897 648 HG2 GLU 76 2HG GLU 76 1.315 5.440 8.474 649 HG3 GLU 76 1HG GLU 76 0.050 4.972 9.610 650 H VAL 77 HN VAL 77 0.749 1.163 10.693 651 HA VAL 77 HA VAL 77 -1.544 0.380 9.132 652 HB VAL 77 HB VAL 77 -0.788 -0.380 11.959 653 HG11 VAL 77 1HG1 VAL 77 -2.273 -2.299 11.607 654 HG12 VAL 77 2HG1 VAL 77 -2.737 -1.642 10.037 655 HG13 VAL 77 3HG1 VAL 77 -3.142 -0.768 11.515 656 HG21 VAL 77 3HG2 VAL 77 -0.256 -1.789 9.346 657 HG22 VAL 77 1HG2 VAL 77 0.077 -2.448 10.947 658 HG23 VAL 77 2HG2 VAL 77 0.945 -1.019 10.383 659 H LEU 78 HN LEU 78 -3.357 1.503 9.071 660 HA LEU 78 HA LEU 78 -3.947 3.435 11.161 661 HB2 LEU 78 2HB LEU 78 -5.186 2.875 8.479 662 HB3 LEU 78 1HB LEU 78 -5.861 4.022 9.616 663 HG LEU 78 HG LEU 78 -3.165 4.191 8.274 664 HD11 LEU 78 1HD1 LEU 78 -5.640 5.901 8.062 665 HD12 LEU 78 2HD1 LEU 78 -5.051 4.772 6.843 666 HD13 LEU 78 3HD1 LEU 78 -4.104 6.203 7.250 667 HD21 LEU 78 3HD2 LEU 78 -2.897 6.318 9.421 668 HD22 LEU 78 1HD2 LEU 78 -3.051 5.001 10.583 669 HD23 LEU 78 2HD2 LEU 78 -4.421 6.066 10.273 670 H LEU 79 HN LEU 79 -4.584 0.265 10.709 671 HA LEU 79 HA LEU 79 -7.261 -0.070 11.320 672 HB2 LEU 79 2HB LEU 79 -4.900 -1.764 12.124 673 HB3 LEU 79 1HB LEU 79 -6.570 -2.259 12.289 674 HG LEU 79 HG LEU 79 -5.169 -1.657 9.683 675 HD11 LEU 79 1HD1 LEU 79 -5.359 -4.055 9.281 676 HD12 LEU 79 2HD1 LEU 79 -6.057 -4.275 10.885 677 HD13 LEU 79 3HD1 LEU 79 -4.391 -3.722 10.717 678 HD21 LEU 79 3HD2 LEU 79 -7.538 -1.098 9.587 679 HD22 LEU 79 1HD2 LEU 79 -7.953 -2.689 10.225 680 HD23 LEU 79 2HD2 LEU 79 -7.199 -2.546 8.637 681 H GLU 80 HN GLU 80 -8.379 0.643 12.955 682 HA GLU 80 HA GLU 80 -7.140 1.813 15.246 683 HB2 GLU 80 2HB GLU 80 -10.057 1.272 14.671 684 HB3 GLU 80 1HB GLU 80 -9.444 2.297 15.959 685 HG2 GLU 80 2HG GLU 80 -8.587 3.875 14.405 686 HG3 GLU 80 1HG GLU 80 -8.918 2.799 13.046 687 H HIS 81 HN HIS 81 -6.548 0.835 17.041 688 HA HIS 81 HA HIS 81 -8.307 -1.010 18.352 689 HB2 HIS 81 2HB HIS 81 -6.803 -2.907 18.504 690 HB3 HIS 81 1HB HIS 81 -7.130 -2.555 16.814 691 HD1 HIS 81 1HD HIS 81 -4.432 -3.287 19.061 692 HD2 HIS 81 2HD HIS 81 -4.872 -1.022 15.602 693 HE1 HIS 81 1HE HIS 81 -2.106 -2.930 18.182 694 HE2 HIS 81 2HE HIS 81 -2.432 -1.808 15.951 695 H HIS 82 HN HIS 82 -7.814 -1.266 20.549 696 HA HIS 82 HA HIS 82 -6.187 0.828 21.652 697 HB2 HIS 82 2HB HIS 82 -7.760 -1.429 22.901 698 HB3 HIS 82 1HB HIS 82 -6.799 -0.305 23.856 699 HD1 HIS 82 1HD HIS 82 -10.133 -0.811 23.147 700 HD2 HIS 82 2HD HIS 82 -7.687 2.538 22.842 701 HE1 HIS 82 1HE HIS 82 -11.684 1.164 23.182 702 HE2 HIS 82 2HE HIS 82 -10.182 3.187 23.110 703 H HIS 83 HN HIS 83 -4.175 0.692 22.525 704 HA HIS 83 HA HIS 83 -2.921 -1.936 22.697 705 HB2 HIS 83 2HB HIS 83 -2.432 -1.232 20.416 706 HB3 HIS 83 1HB HIS 83 -1.820 0.313 20.995 707 HD1 HIS 83 1HD HIS 83 -0.995 -3.330 21.837 708 HD2 HIS 83 2HD HIS 83 0.874 0.280 20.925 709 HE1 HIS 83 1HE HIS 83 1.476 -3.809 21.878 710 HE2 HIS 83 2HE HIS 83 2.592 -1.588 21.453 711 H HIS 84 HN HIS 84 -2.891 -1.607 24.921 712 HA HIS 84 HA HIS 84 -0.518 -0.078 25.699 713 HB2 HIS 84 2HB HIS 84 -2.561 1.169 26.463 714 HB3 HIS 84 1HB HIS 84 -3.009 -0.242 27.419 715 HD1 HIS 84 1HD HIS 84 -2.052 -0.366 29.738 716 HD2 HIS 84 2HD HIS 84 -0.014 2.342 27.320 717 HE1 HIS 84 1HE HIS 84 -0.383 0.765 31.236 718 HE2 HIS 84 2HE HIS 84 0.986 2.226 29.708 719 H HIS 85 HN HIS 85 0.920 -1.424 26.507 720 HA HIS 85 HA HIS 85 0.325 -4.176 26.860 721 HB2 HIS 85 2HB HIS 85 2.580 -2.953 26.252 722 HB3 HIS 85 1HB HIS 85 2.809 -2.939 27.995 723 HD1 HIS 85 1HD HIS 85 4.085 -4.719 25.412 724 HD2 HIS 85 2HD HIS 85 1.957 -5.953 28.767 725 HE1 HIS 85 1HE HIS 85 4.629 -7.156 25.706 726 HE2 HIS 85 2HE HIS 85 3.138 -7.925 27.582 727 H HIS 86 HN HIS 86 -0.499 -5.162 28.576 728 HA HIS 86 HA HIS 86 -0.220 -3.856 31.194 729 HB2 HIS 86 2HB HIS 86 -2.416 -4.691 31.834 730 HB3 HIS 86 1HB HIS 86 -2.546 -3.702 30.387 731 HD1 HIS 86 1HD HIS 86 -3.321 -7.013 31.733 732 HD2 HIS 86 2HD HIS 86 -3.013 -5.250 27.979 733 HE1 HIS 86 1HE HIS 86 -4.485 -8.585 30.147 734 HE2 HIS 86 2HE HIS 86 -4.118 -7.590 27.858 Start of MODEL 13 1 H1 MET 1 H1 MET 1 7.104 6.151 17.164 2 H2 MET 1 H2 MET 1 6.809 6.390 18.809 3 H3 MET 1 H3 MET 1 5.651 6.859 17.671 4 HA MET 1 HA MET 1 6.532 4.080 18.201 5 HB2 MET 1 2HB MET 1 3.981 5.528 18.947 6 HB3 MET 1 1HB MET 1 4.213 3.789 19.087 7 HG2 MET 1 2HG MET 1 6.061 4.176 20.648 8 HG3 MET 1 1HG MET 1 5.776 5.912 20.533 9 HE1 MET 1 2HE MET 1 4.518 5.093 24.139 10 HE2 MET 1 3HE MET 1 5.566 6.118 23.159 11 HE3 MET 1 1HE MET 1 5.901 4.392 23.297 12 H THR 2 HN THR 2 6.766 4.984 15.691 13 HA THR 2 HA THR 2 4.581 3.616 14.311 14 HB THR 2 HB THR 2 5.627 6.357 13.562 15 HG1 THR 2 1HG THR 2 2.997 5.472 14.231 16 HG21 THR 2 3HG2 THR 2 4.072 6.258 11.670 17 HG22 THR 2 1HG2 THR 2 3.665 4.596 12.088 18 HG23 THR 2 2HG2 THR 2 5.298 4.996 11.557 19 H LYS 3 HN LYS 3 5.342 2.233 12.820 20 HA LYS 3 HA LYS 3 8.084 2.659 11.835 21 HB2 LYS 3 2HB LYS 3 8.100 0.890 13.564 22 HB3 LYS 3 1HB LYS 3 6.906 -0.008 12.637 23 HG2 LYS 3 2HG LYS 3 8.474 -0.255 10.804 24 HG3 LYS 3 1HG LYS 3 9.670 0.701 11.676 25 HD2 LYS 3 2HD LYS 3 9.656 -1.010 13.472 26 HD3 LYS 3 1HD LYS 3 8.550 -1.977 12.493 27 HE2 LYS 3 2HE LYS 3 10.844 -2.750 12.224 28 HE3 LYS 3 1HE LYS 3 10.215 -2.096 10.713 29 HZ1 LYS 3 3HZ LYS 3 12.470 -1.341 11.121 30 HZ2 LYS 3 1HZ LYS 3 12.007 -0.662 12.605 31 HZ3 LYS 3 2HZ LYS 3 11.398 -0.029 11.154 32 H GLY 4 HN GLY 4 7.936 3.034 9.744 33 HA2 GLY 4 2HA GLY 4 5.679 2.192 8.192 34 HA3 GLY 4 1HA GLY 4 7.100 3.033 7.594 35 H ILE 5 HN ILE 5 5.496 0.058 7.885 36 HA ILE 5 HA ILE 5 7.828 -1.445 6.942 37 HB ILE 5 HB ILE 5 6.412 -3.449 7.153 38 HG12 ILE 5 2HG1 ILE 5 4.330 -1.561 8.273 39 HG13 ILE 5 1HG1 ILE 5 4.238 -2.342 6.700 40 HG21 ILE 5 1HG2 ILE 5 7.776 -2.758 9.036 41 HG22 ILE 5 2HG2 ILE 5 6.264 -3.471 9.602 42 HG23 ILE 5 3HG2 ILE 5 6.474 -1.720 9.619 43 HD11 ILE 5 3HD1 ILE 5 4.151 -4.522 7.781 44 HD12 ILE 5 1HD1 ILE 5 2.852 -3.473 8.346 45 HD13 ILE 5 2HD1 ILE 5 4.269 -3.750 9.361 46 H GLY 6 HN GLY 6 7.463 -2.932 5.067 47 HA2 GLY 6 2HA GLY 6 6.653 -1.446 2.822 48 HA3 GLY 6 1HA GLY 6 7.011 -3.160 2.824 49 H LEU 7 HN LEU 7 4.874 -1.380 1.623 50 HA LEU 7 HA LEU 7 2.400 -1.812 2.830 51 HB2 LEU 7 2HB LEU 7 2.866 -0.125 1.121 52 HB3 LEU 7 1HB LEU 7 3.084 -1.384 -0.075 53 HG LEU 7 HG LEU 7 0.725 -1.978 0.081 54 HD11 LEU 7 1HD1 LEU 7 -0.818 -0.578 1.385 55 HD12 LEU 7 2HD1 LEU 7 0.563 0.257 2.100 56 HD13 LEU 7 3HD1 LEU 7 0.312 -1.461 2.412 57 HD21 LEU 7 3HD2 LEU 7 -0.196 0.050 -0.902 58 HD22 LEU 7 1HD2 LEU 7 1.433 -0.256 -1.502 59 HD23 LEU 7 2HD2 LEU 7 1.162 0.985 -0.276 60 H ASN 8 HN ASN 8 4.325 -3.952 0.893 61 HA ASN 8 HA ASN 8 2.141 -5.672 0.145 62 HB2 ASN 8 2HB ASN 8 3.776 -7.079 -0.871 63 HB3 ASN 8 1HB ASN 8 4.286 -5.424 -1.176 64 HD21 ASN 8 1HD2 ASN 8 6.148 -4.647 -0.214 65 HD22 ASN 8 2HD2 ASN 8 7.282 -5.677 0.595 66 H GLU 9 HN GLU 9 3.806 -5.160 2.997 67 HA GLU 9 HA GLU 9 3.634 -7.938 3.897 68 HB2 GLU 9 2HB GLU 9 4.917 -5.481 5.085 69 HB3 GLU 9 1HB GLU 9 4.895 -7.053 5.860 70 HG2 GLU 9 2HG GLU 9 6.240 -8.003 4.165 71 HG3 GLU 9 1HG GLU 9 6.069 -6.576 3.145 72 H VAL 10 HN VAL 10 1.776 -5.197 3.865 73 HA VAL 10 HA VAL 10 0.753 -5.283 6.549 74 HB VAL 10 HB VAL 10 -0.494 -3.891 4.177 75 HG11 VAL 10 1HG1 VAL 10 -1.890 -4.010 6.181 76 HG12 VAL 10 2HG1 VAL 10 -1.375 -2.355 5.851 77 HG13 VAL 10 3HG1 VAL 10 -0.591 -3.284 7.129 78 HG21 VAL 10 3HG2 VAL 10 1.673 -2.881 6.014 79 HG22 VAL 10 1HG2 VAL 10 0.805 -1.906 4.830 80 HG23 VAL 10 2HG2 VAL 10 1.837 -3.232 4.295 81 H GLU 11 HN GLU 11 -1.557 -5.637 6.987 82 HA GLU 11 HA GLU 11 -2.378 -8.157 5.863 83 HB2 GLU 11 2HB GLU 11 -2.474 -7.510 8.314 84 HB3 GLU 11 1HB GLU 11 -3.832 -6.480 7.907 85 HG2 GLU 11 2HG GLU 11 -5.082 -8.430 7.147 86 HG3 GLU 11 1HG GLU 11 -3.712 -9.466 7.554 87 H ILE 12 HN ILE 12 -4.777 -8.431 5.405 88 HA ILE 12 HA ILE 12 -5.471 -6.457 3.374 89 HB ILE 12 HB ILE 12 -7.087 -8.142 2.569 90 HG12 ILE 12 2HG1 ILE 12 -5.903 -9.893 4.740 91 HG13 ILE 12 1HG1 ILE 12 -7.538 -9.239 4.735 92 HG21 ILE 12 1HG2 ILE 12 -4.283 -9.200 2.923 93 HG22 ILE 12 2HG2 ILE 12 -4.809 -8.068 1.677 94 HG23 ILE 12 3HG2 ILE 12 -5.440 -9.715 1.695 95 HD11 ILE 12 3HD1 ILE 12 -6.408 -11.189 2.740 96 HD12 ILE 12 1HD1 ILE 12 -8.042 -10.528 2.725 97 HD13 ILE 12 2HD1 ILE 12 -7.523 -11.562 4.055 98 H LYS 13 HN LYS 13 -7.726 -5.811 3.103 99 HA LYS 13 HA LYS 13 -9.753 -5.046 3.762 100 HB2 LYS 13 2HB LYS 13 -9.425 -6.943 6.094 101 HB3 LYS 13 1HB LYS 13 -10.909 -6.100 5.671 102 HG2 LYS 13 2HG LYS 13 -11.071 -7.302 3.602 103 HG3 LYS 13 1HG LYS 13 -9.489 -8.043 3.864 104 HD2 LYS 13 2HD LYS 13 -10.366 -9.171 5.863 105 HD3 LYS 13 1HD LYS 13 -11.947 -8.446 5.568 106 HE2 LYS 13 2HE LYS 13 -12.131 -9.628 3.459 107 HE3 LYS 13 1HE LYS 13 -10.508 -10.290 3.662 108 HZ1 LYS 13 3HZ LYS 13 -12.281 -11.860 4.266 109 HZ2 LYS 13 1HZ LYS 13 -12.782 -10.809 5.502 110 HZ3 LYS 13 2HZ LYS 13 -11.245 -11.522 5.567 111 H SER 14 HN SER 14 -6.965 -4.354 5.194 112 HA SER 14 HA SER 14 -8.143 -2.596 7.224 113 HB2 SER 14 2HB SER 14 -5.718 -2.392 7.995 114 HB3 SER 14 1HB SER 14 -6.487 -3.960 8.231 115 HG SER 14 HG SER 14 -5.000 -3.426 5.891 116 H LYS 15 HN LYS 15 -7.336 -0.429 7.406 117 HA LYS 15 HA LYS 15 -6.509 0.655 4.805 118 HB2 LYS 15 2HB LYS 15 -7.395 2.853 5.759 119 HB3 LYS 15 1HB LYS 15 -8.577 1.639 5.305 120 HG2 LYS 15 2HG LYS 15 -7.639 1.776 8.132 121 HG3 LYS 15 1HG LYS 15 -8.810 2.958 7.543 122 HD2 LYS 15 2HD LYS 15 -10.252 1.087 6.793 123 HD3 LYS 15 1HD LYS 15 -9.100 -0.046 7.501 124 HE2 LYS 15 2HE LYS 15 -9.516 0.807 9.702 125 HE3 LYS 15 1HE LYS 15 -10.506 2.118 9.059 126 HZ1 LYS 15 3HZ LYS 15 -12.120 0.513 8.305 127 HZ2 LYS 15 1HZ LYS 15 -11.844 0.292 9.964 128 HZ3 LYS 15 2HZ LYS 15 -11.155 -0.776 8.839 129 H VAL 16 HN VAL 16 -4.674 1.727 4.612 130 HA VAL 16 HA VAL 16 -3.157 2.365 7.060 131 HB VAL 16 HB VAL 16 -1.088 1.672 5.908 132 HG11 VAL 16 1HG1 VAL 16 -2.141 0.117 7.428 133 HG12 VAL 16 2HG1 VAL 16 -1.451 -0.763 6.063 134 HG13 VAL 16 3HG1 VAL 16 -3.190 -0.475 6.141 135 HG21 VAL 16 3HG2 VAL 16 -1.858 1.934 3.596 136 HG22 VAL 16 1HG2 VAL 16 -2.932 0.549 3.799 137 HG23 VAL 16 2HG2 VAL 16 -1.183 0.328 3.877 138 H LYS 17 HN LYS 17 -1.430 3.907 6.717 139 HA LYS 17 HA LYS 17 -2.193 5.876 4.661 140 HB2 LYS 17 2HB LYS 17 -2.616 6.603 6.949 141 HB3 LYS 17 1HB LYS 17 -0.943 6.308 7.366 142 HG2 LYS 17 2HG LYS 17 -1.370 8.680 7.050 143 HG3 LYS 17 1HG LYS 17 -0.258 8.075 5.820 144 HD2 LYS 17 2HD LYS 17 -1.684 8.512 4.152 145 HD3 LYS 17 1HD LYS 17 -3.072 7.909 5.057 146 HE2 LYS 17 2HE LYS 17 -1.803 10.554 5.679 147 HE3 LYS 17 1HE LYS 17 -3.040 10.390 4.434 148 HZ1 LYS 17 3HZ LYS 17 -3.345 9.726 7.322 149 HZ2 LYS 17 1HZ LYS 17 -4.533 9.472 6.136 150 HZ3 LYS 17 2HZ LYS 17 -4.034 11.046 6.505 151 H VAL 18 HN VAL 18 -0.661 6.726 3.407 152 HA VAL 18 HA VAL 18 1.819 5.249 3.234 153 HB VAL 18 HB VAL 18 0.845 7.539 1.506 154 HG11 VAL 18 1HG1 VAL 18 2.545 6.754 -0.095 155 HG12 VAL 18 2HG1 VAL 18 3.123 5.599 1.107 156 HG13 VAL 18 3HG1 VAL 18 3.256 7.333 1.411 157 HG21 VAL 18 3HG2 VAL 18 0.282 5.807 -0.131 158 HG22 VAL 18 1HG2 VAL 18 -0.623 5.594 1.367 159 HG23 VAL 18 2HG2 VAL 18 0.762 4.560 1.021 160 H ILE 19 HN ILE 19 3.026 5.786 4.944 161 HA ILE 19 HA ILE 19 3.503 8.418 5.879 162 HB ILE 19 HB ILE 19 5.328 6.048 6.240 163 HG12 ILE 19 2HG1 ILE 19 2.899 6.773 7.896 164 HG13 ILE 19 1HG1 ILE 19 2.980 5.430 6.761 165 HG21 ILE 19 1HG2 ILE 19 5.881 7.137 8.361 166 HG22 ILE 19 2HG2 ILE 19 4.769 8.449 7.974 167 HG23 ILE 19 3HG2 ILE 19 6.208 8.195 6.988 168 HD11 ILE 19 3HD1 ILE 19 4.671 5.742 9.226 169 HD12 ILE 19 1HD1 ILE 19 4.723 4.390 8.095 170 HD13 ILE 19 2HD1 ILE 19 3.270 4.681 9.052 171 H GLY 20 HN GLY 20 5.497 6.165 3.971 172 HA2 GLY 20 2HA GLY 20 6.588 8.425 2.535 173 HA3 GLY 20 1HA GLY 20 7.744 7.559 3.527 174 H ILE 21 HN ILE 21 6.980 7.951 0.566 175 HA ILE 21 HA ILE 21 7.121 5.252 -0.436 176 HB ILE 21 HB ILE 21 7.623 7.918 -1.773 177 HG12 ILE 21 2HG1 ILE 21 5.137 6.190 -1.771 178 HG13 ILE 21 1HG1 ILE 21 5.340 7.699 -0.886 179 HG21 ILE 21 1HG2 ILE 21 7.258 6.713 -3.893 180 HG22 ILE 21 2HG2 ILE 21 7.150 5.198 -2.999 181 HG23 ILE 21 3HG2 ILE 21 8.662 6.104 -3.018 182 HD11 ILE 21 3HD1 ILE 21 5.378 7.392 -3.879 183 HD12 ILE 21 1HD1 ILE 21 5.573 8.904 -2.993 184 HD13 ILE 21 2HD1 ILE 21 4.047 8.027 -2.912 185 H VAL 22 HN VAL 22 9.083 4.489 -1.589 186 HA VAL 22 HA VAL 22 11.507 5.452 -0.249 187 HB VAL 22 HB VAL 22 11.097 2.873 -1.779 188 HG11 VAL 22 1HG1 VAL 22 13.420 3.630 -1.778 189 HG12 VAL 22 2HG1 VAL 22 13.224 2.197 -0.769 190 HG13 VAL 22 3HG1 VAL 22 13.376 3.788 -0.022 191 HG21 VAL 22 3HG2 VAL 22 11.194 3.371 1.196 192 HG22 VAL 22 1HG2 VAL 22 11.080 1.795 0.413 193 HG23 VAL 22 2HG2 VAL 22 9.756 2.953 0.265 194 HA PRO 23 HA PRO 23 11.847 7.520 -4.293 195 HB2 PRO 23 2HB PRO 23 13.794 9.260 -3.479 196 HB3 PRO 23 1HB PRO 23 12.066 9.523 -3.216 197 HG2 PRO 23 2HG PRO 23 14.128 8.458 -1.333 198 HG3 PRO 23 1HG PRO 23 12.819 9.615 -1.027 199 HD2 PRO 23 2HD PRO 23 12.624 7.031 -0.312 200 HD3 PRO 23 1HD PRO 23 11.219 7.960 -0.870 201 H GLU 24 HN GLU 24 13.911 8.289 -5.519 202 HA GLU 24 HA GLU 24 15.682 7.667 -6.780 203 HB2 GLU 24 2HB GLU 24 16.747 7.568 -4.419 204 HB3 GLU 24 1HB GLU 24 16.652 5.825 -4.622 205 HG2 GLU 24 2HG GLU 24 17.988 6.009 -6.675 206 HG3 GLU 24 1HG GLU 24 18.112 7.748 -6.419 207 H SER 25 HN SER 25 13.564 5.326 -5.497 208 HA SER 25 HA SER 25 14.461 3.076 -6.962 209 HB2 SER 25 2HB SER 25 12.134 3.818 -5.286 210 HB3 SER 25 1HB SER 25 11.884 2.525 -6.449 211 HG SER 25 HG SER 25 12.695 1.394 -4.838 212 H LYS 26 HN LYS 26 13.112 2.014 -8.627 213 HA LYS 26 HA LYS 26 12.737 3.873 -10.793 214 HB2 LYS 26 2HB LYS 26 12.273 0.887 -10.749 215 HB3 LYS 26 1HB LYS 26 12.469 1.898 -12.172 216 HG2 LYS 26 2HG LYS 26 14.578 1.362 -10.093 217 HG3 LYS 26 1HG LYS 26 14.481 0.616 -11.689 218 HD2 LYS 26 2HD LYS 26 14.715 2.833 -12.723 219 HD3 LYS 26 1HD LYS 26 14.850 3.557 -11.118 220 HE2 LYS 26 2HE LYS 26 17.047 3.253 -12.134 221 HE3 LYS 26 1HE LYS 26 16.867 2.252 -10.693 222 HZ1 LYS 26 3HZ LYS 26 17.912 1.136 -12.654 223 HZ2 LYS 26 1HZ LYS 26 16.413 1.230 -13.440 224 HZ3 LYS 26 2HZ LYS 26 16.563 0.327 -12.013 225 H VAL 27 HN VAL 27 10.724 1.603 -8.958 226 HA VAL 27 HA VAL 27 8.369 2.059 -10.493 227 HB VAL 27 HB VAL 27 7.165 0.853 -8.770 228 HG11 VAL 27 1HG1 VAL 27 9.876 -0.337 -9.339 229 HG12 VAL 27 2HG1 VAL 27 8.428 -0.476 -10.338 230 HG13 VAL 27 3HG1 VAL 27 8.478 -1.236 -8.747 231 HG21 VAL 27 3HG2 VAL 27 8.260 0.100 -6.711 232 HG22 VAL 27 1HG2 VAL 27 8.175 1.860 -6.796 233 HG23 VAL 27 2HG2 VAL 27 9.695 1.034 -7.137 234 H ARG 28 HN ARG 28 9.932 3.802 -8.058 235 HA ARG 28 HA ARG 28 7.925 5.146 -6.725 236 HB2 ARG 28 2HB ARG 28 10.067 5.465 -5.895 237 HB3 ARG 28 1HB ARG 28 10.744 5.789 -7.478 238 HG2 ARG 28 2HG ARG 28 8.824 7.765 -6.376 239 HG3 ARG 28 1HG ARG 28 10.433 7.678 -5.657 240 HD2 ARG 28 2HD ARG 28 9.698 8.274 -8.515 241 HD3 ARG 28 1HD ARG 28 10.571 9.300 -7.379 242 HE ARG 28 HE ARG 28 11.854 6.781 -8.013 243 HH11 ARG 28 1HH1 ARG 28 11.586 10.188 -8.811 244 HH12 ARG 28 2HH1 ARG 28 13.117 10.228 -9.639 245 HH21 ARG 28 1HH2 ARG 28 13.858 6.852 -9.074 246 HH22 ARG 28 2HH2 ARG 28 14.433 8.349 -9.740 247 H ARG 29 HN ARG 29 9.178 5.679 -9.964 248 HA ARG 29 HA ARG 29 7.958 8.202 -10.367 249 HB2 ARG 29 2HB ARG 29 8.944 6.102 -12.287 250 HB3 ARG 29 1HB ARG 29 8.295 7.645 -12.805 251 HG2 ARG 29 2HG ARG 29 10.044 8.792 -11.516 252 HG3 ARG 29 1HG ARG 29 10.724 7.221 -11.086 253 HD2 ARG 29 2HD ARG 29 11.053 6.737 -13.475 254 HD3 ARG 29 1HD ARG 29 10.418 8.332 -13.875 255 HE ARG 29 HE ARG 29 12.423 8.937 -12.207 256 HH11 ARG 29 1HH1 ARG 29 12.276 6.884 -15.042 257 HH12 ARG 29 2HH1 ARG 29 13.968 7.068 -15.411 258 HH21 ARG 29 1HH2 ARG 29 14.620 9.207 -12.713 259 HH22 ARG 29 2HH2 ARG 29 15.296 8.395 -14.092 260 H LYS 30 HN LYS 30 6.943 4.878 -11.033 261 HA LYS 30 HA LYS 30 4.575 5.672 -12.421 262 HB2 LYS 30 2HB LYS 30 5.905 3.407 -12.506 263 HB3 LYS 30 1HB LYS 30 4.859 2.973 -11.162 264 HG2 LYS 30 2HG LYS 30 2.895 3.323 -12.498 265 HG3 LYS 30 1HG LYS 30 3.866 3.938 -13.834 266 HD2 LYS 30 2HD LYS 30 4.998 1.697 -13.912 267 HD3 LYS 30 1HD LYS 30 3.793 1.128 -12.752 268 HE2 LYS 30 2HE LYS 30 3.126 0.551 -15.019 269 HE3 LYS 30 1HE LYS 30 2.007 1.722 -14.324 270 HZ1 LYS 30 3HZ LYS 30 2.624 2.225 -16.642 271 HZ2 LYS 30 1HZ LYS 30 4.239 2.411 -16.162 272 HZ3 LYS 30 2HZ LYS 30 3.052 3.473 -15.575 273 H ILE 31 HN ILE 31 5.383 4.830 -9.123 274 HA ILE 31 HA ILE 31 2.807 4.614 -8.043 275 HB ILE 31 HB ILE 31 5.328 5.675 -6.751 276 HG12 ILE 31 2HG1 ILE 31 4.078 2.923 -6.641 277 HG13 ILE 31 1HG1 ILE 31 5.455 3.357 -7.646 278 HG21 ILE 31 1HG2 ILE 31 4.260 5.163 -4.614 279 HG22 ILE 31 2HG2 ILE 31 2.779 4.712 -5.460 280 HG23 ILE 31 3HG2 ILE 31 3.350 6.380 -5.510 281 HD11 ILE 31 3HD1 ILE 31 6.732 3.901 -5.623 282 HD12 ILE 31 1HD1 ILE 31 6.193 2.221 -5.655 283 HD13 ILE 31 2HD1 ILE 31 5.355 3.397 -4.641 284 H MET 32 HN MET 32 4.908 7.475 -8.362 285 HA MET 32 HA MET 32 2.987 9.297 -7.331 286 HB2 MET 32 2HB MET 32 5.418 9.765 -9.063 287 HB3 MET 32 1HB MET 32 4.448 11.052 -8.361 288 HG2 MET 32 2HG MET 32 4.969 10.162 -6.116 289 HG3 MET 32 1HG MET 32 6.026 8.969 -6.869 290 HE1 MET 32 3HE MET 32 8.578 11.429 -5.220 291 HE2 MET 32 1HE MET 32 8.072 9.748 -5.379 292 HE3 MET 32 2HE MET 32 7.017 10.915 -4.581 293 H ASP 33 HN ASP 33 3.624 7.982 -10.482 294 HA ASP 33 HA ASP 33 2.017 9.775 -11.990 295 HB2 ASP 33 2HB ASP 33 3.687 8.379 -13.079 296 HB3 ASP 33 1HB ASP 33 2.868 6.920 -12.537 297 H MET 34 HN MET 34 1.420 6.683 -10.410 298 HA MET 34 HA MET 34 -1.254 6.303 -11.181 299 HB2 MET 34 2HB MET 34 0.273 5.428 -8.725 300 HB3 MET 34 1HB MET 34 -1.372 4.917 -9.051 301 HG2 MET 34 2HG MET 34 -0.672 3.800 -11.069 302 HG3 MET 34 1HG MET 34 0.971 4.408 -10.870 303 HE1 MET 34 3HE MET 34 1.927 1.927 -11.121 304 HE2 MET 34 1HE MET 34 0.282 1.330 -11.335 305 HE3 MET 34 2HE MET 34 1.352 0.561 -10.162 306 H GLY 35 HN GLY 35 0.210 8.213 -8.649 307 HA2 GLY 35 2HA GLY 35 -1.021 10.246 -8.023 308 HA3 GLY 35 1HA GLY 35 -2.472 9.254 -7.977 309 H ILE 36 HN ILE 36 0.370 7.782 -6.757 310 HA ILE 36 HA ILE 36 -0.676 8.098 -4.033 311 HB ILE 36 HB ILE 36 1.416 6.145 -4.985 312 HG12 ILE 36 2HG1 ILE 36 -1.525 5.638 -4.478 313 HG13 ILE 36 1HG1 ILE 36 -0.805 5.806 -6.074 314 HG21 ILE 36 1HG2 ILE 36 -0.208 6.242 -2.447 315 HG22 ILE 36 2HG2 ILE 36 1.506 6.629 -2.597 316 HG23 ILE 36 3HG2 ILE 36 0.946 4.982 -2.885 317 HD11 ILE 36 3HD1 ILE 36 -0.092 3.682 -4.065 318 HD12 ILE 36 1HD1 ILE 36 0.537 3.824 -5.706 319 HD13 ILE 36 2HD1 ILE 36 -1.171 3.466 -5.442 320 H VAL 37 HN VAL 37 0.344 9.242 -2.597 321 HA VAL 37 HA VAL 37 3.190 9.859 -2.864 322 HB VAL 37 HB VAL 37 2.752 12.278 -2.356 323 HG11 VAL 37 1HG1 VAL 37 1.643 11.263 -4.970 324 HG12 VAL 37 2HG1 VAL 37 3.334 11.616 -4.614 325 HG13 VAL 37 3HG1 VAL 37 2.149 12.922 -4.651 326 HG21 VAL 37 3HG2 VAL 37 0.491 12.068 -1.489 327 HG22 VAL 37 1HG2 VAL 37 -0.087 11.561 -3.074 328 HG23 VAL 37 2HG2 VAL 37 0.530 13.196 -2.844 329 H ARG 38 HN ARG 38 3.672 11.448 -0.827 330 HA ARG 38 HA ARG 38 3.037 9.928 1.499 331 HB2 ARG 38 2HB ARG 38 4.465 12.539 1.059 332 HB3 ARG 38 1HB ARG 38 4.127 11.946 2.679 333 HG2 ARG 38 2HG ARG 38 5.409 9.941 2.243 334 HG3 ARG 38 1HG ARG 38 5.704 10.463 0.588 335 HD2 ARG 38 2HD ARG 38 6.586 11.946 3.059 336 HD3 ARG 38 1HD ARG 38 7.614 10.884 2.102 337 HE ARG 38 HE ARG 38 6.709 12.690 0.290 338 HH11 ARG 38 1HH1 ARG 38 8.216 13.021 3.429 339 HH12 ARG 38 2HH1 ARG 38 9.074 14.474 3.010 340 HH21 ARG 38 1HH2 ARG 38 7.814 14.609 -0.271 341 HH22 ARG 38 2HH2 ARG 38 8.860 15.369 0.896 342 H GLY 39 HN GLY 39 1.095 9.930 2.362 343 HA2 GLY 39 2HA GLY 39 -0.453 11.304 3.726 344 HA3 GLY 39 1HA GLY 39 -0.418 12.468 2.413 345 H THR 40 HN THR 40 -0.324 9.822 0.686 346 HA THR 40 HA THR 40 -3.136 9.666 0.205 347 HB THR 40 HB THR 40 -1.036 7.707 -0.723 348 HG1 THR 40 1HG THR 40 -1.907 10.142 -1.944 349 HG21 THR 40 3HG2 THR 40 -3.329 6.970 -1.103 350 HG22 THR 40 1HG2 THR 40 -2.557 7.391 -2.632 351 HG23 THR 40 2HG2 THR 40 -3.706 8.504 -1.888 352 H GLU 41 HN GLU 41 -4.499 7.893 0.604 353 HA GLU 41 HA GLU 41 -3.626 6.167 2.796 354 HB2 GLU 41 2HB GLU 41 -6.364 7.290 2.189 355 HB3 GLU 41 1HB GLU 41 -5.974 6.204 3.509 356 HG2 GLU 41 2HG GLU 41 -4.562 7.826 4.538 357 HG3 GLU 41 1HG GLU 41 -4.700 8.891 3.144 358 H ILE 42 HN ILE 42 -3.964 4.043 2.643 359 HA ILE 42 HA ILE 42 -4.971 3.087 0.039 360 HB ILE 42 HB ILE 42 -2.694 2.004 1.704 361 HG12 ILE 42 2HG1 ILE 42 -2.103 4.052 0.487 362 HG13 ILE 42 1HG1 ILE 42 -1.266 2.654 -0.176 363 HG21 ILE 42 1HG2 ILE 42 -3.834 1.014 -0.904 364 HG22 ILE 42 2HG2 ILE 42 -3.874 0.185 0.653 365 HG23 ILE 42 3HG2 ILE 42 -2.336 0.440 -0.172 366 HD11 ILE 42 3HD1 ILE 42 -3.704 3.969 -1.346 367 HD12 ILE 42 1HD1 ILE 42 -2.867 2.566 -2.012 368 HD13 ILE 42 2HD1 ILE 42 -2.048 4.126 -1.931 369 H TYR 43 HN TYR 43 -6.661 1.746 0.184 370 HA TYR 43 HA TYR 43 -7.030 0.248 2.688 371 HB2 TYR 43 2HB TYR 43 -8.909 1.718 1.640 372 HB3 TYR 43 1HB TYR 43 -9.076 0.396 0.486 373 HD1 TYR 43 2HD TYR 43 -9.643 -1.914 1.366 374 HD2 TYR 43 1HD TYR 43 -9.831 1.575 3.790 375 HE1 TYR 43 2HE TYR 43 -11.056 -3.117 2.981 376 HE2 TYR 43 1HE TYR 43 -11.243 0.384 5.410 377 HH TYR 43 HH TYR 43 -11.625 -2.972 5.390 378 H ILE 44 HN ILE 44 -6.295 -1.765 2.659 379 HA ILE 44 HA ILE 44 -5.433 -2.980 0.216 380 HB ILE 44 HB ILE 44 -5.615 -4.236 2.960 381 HG12 ILE 44 2HG1 ILE 44 -4.220 -2.217 2.986 382 HG13 ILE 44 1HG1 ILE 44 -3.235 -3.663 3.173 383 HG21 ILE 44 1HG2 ILE 44 -4.024 -5.023 0.516 384 HG22 ILE 44 2HG2 ILE 44 -5.421 -5.876 1.172 385 HG23 ILE 44 3HG2 ILE 44 -3.924 -5.796 2.099 386 HD11 ILE 44 3HD1 ILE 44 -2.598 -3.534 0.825 387 HD12 ILE 44 1HD1 ILE 44 -2.175 -2.059 1.695 388 HD13 ILE 44 2HD1 ILE 44 -3.585 -2.085 0.636 389 H GLU 45 HN GLU 45 -6.882 -3.709 -1.162 390 HA GLU 45 HA GLU 45 -9.448 -4.721 -0.371 391 HB2 GLU 45 2HB GLU 45 -8.679 -3.466 -2.565 392 HB3 GLU 45 1HB GLU 45 -8.282 -5.084 -3.116 393 HG2 GLU 45 2HG GLU 45 -11.007 -4.323 -2.118 394 HG3 GLU 45 1HG GLU 45 -10.523 -4.172 -3.803 395 H GLY 46 HN GLY 46 -6.375 -6.054 -1.466 396 HA2 GLY 46 2HA GLY 46 -6.461 -8.380 -0.035 397 HA3 GLY 46 1HA GLY 46 -7.302 -8.767 -1.528 398 H LYS 47 HN LYS 47 -5.259 -10.276 -1.241 399 HA LYS 47 HA LYS 47 -3.190 -9.137 -2.990 400 HB2 LYS 47 2HB LYS 47 -2.772 -11.155 -0.771 401 HB3 LYS 47 1HB LYS 47 -1.531 -10.578 -1.873 402 HG2 LYS 47 2HG LYS 47 -1.723 -8.337 -0.964 403 HG3 LYS 47 1HG LYS 47 -3.036 -8.855 0.094 404 HD2 LYS 47 2HD LYS 47 -1.006 -8.762 1.372 405 HD3 LYS 47 1HD LYS 47 -1.460 -10.454 1.167 406 HE2 LYS 47 2HE LYS 47 0.162 -10.691 -0.624 407 HE3 LYS 47 1HE LYS 47 0.581 -8.983 -0.495 408 HZ1 LYS 47 3HZ LYS 47 2.207 -10.313 0.656 409 HZ2 LYS 47 1HZ LYS 47 1.000 -11.059 1.591 410 HZ3 LYS 47 2HZ LYS 47 1.327 -9.409 1.791 411 H ALA 48 HN ALA 48 -2.307 -10.592 -4.526 412 HA ALA 48 HA ALA 48 -4.186 -12.349 -5.675 413 HB1 ALA 48 1HB ALA 48 -2.530 -11.120 -6.984 414 HB2 ALA 48 2HB ALA 48 -2.451 -12.852 -7.299 415 HB3 ALA 48 3HB ALA 48 -1.244 -12.089 -6.266 416 HA PRO 49 HA PRO 49 -3.383 -16.403 -4.029 417 HB2 PRO 49 2HB PRO 49 -2.612 -17.292 -6.764 418 HB3 PRO 49 1HB PRO 49 -3.811 -17.968 -5.655 419 HG2 PRO 49 2HG PRO 49 -4.574 -16.548 -7.771 420 HG3 PRO 49 1HG PRO 49 -5.416 -16.393 -6.218 421 HD2 PRO 49 2HD PRO 49 -3.440 -14.553 -7.498 422 HD3 PRO 49 1HD PRO 49 -4.887 -14.168 -6.545 423 H MET 50 HN MET 50 -1.017 -15.085 -6.286 424 HA MET 50 HA MET 50 1.131 -16.711 -5.216 425 HB2 MET 50 2HB MET 50 1.344 -14.368 -7.118 426 HB3 MET 50 1HB MET 50 2.558 -15.601 -6.820 427 HG2 MET 50 2HG MET 50 1.630 -16.156 -8.879 428 HG3 MET 50 1HG MET 50 0.870 -17.263 -7.738 429 HE1 MET 50 3HE MET 50 -0.973 -17.806 -9.588 430 HE2 MET 50 1HE MET 50 -0.213 -16.664 -10.698 431 HE3 MET 50 2HE MET 50 -1.946 -16.571 -10.387 432 H GLY 51 HN GLY 51 -0.486 -14.055 -4.171 433 HA2 GLY 51 2HA GLY 51 0.150 -12.806 -2.247 434 HA3 GLY 51 1HA GLY 51 1.836 -13.032 -2.694 435 H ASP 52 HN ASP 52 1.448 -12.384 -5.463 436 HA ASP 52 HA ASP 52 0.611 -9.601 -5.443 437 HB2 ASP 52 2HB ASP 52 2.622 -8.865 -6.486 438 HB3 ASP 52 1HB ASP 52 3.093 -9.747 -5.048 439 HA PRO 53 HA PRO 53 1.039 -7.980 -7.303 440 HB2 PRO 53 2HB PRO 53 -1.007 -6.730 -8.521 441 HB3 PRO 53 1HB PRO 53 0.405 -7.313 -9.413 442 HG2 PRO 53 2HG PRO 53 -2.285 -8.594 -9.086 443 HG3 PRO 53 1HG PRO 53 -1.321 -8.388 -10.561 444 HD2 PRO 53 2HD PRO 53 -1.377 -10.713 -9.172 445 HD3 PRO 53 1HD PRO 53 0.064 -10.163 -10.054 446 H ILE 54 HN ILE 54 -0.247 -6.190 -6.279 447 HA ILE 54 HA ILE 54 -1.983 -7.359 -4.225 448 HB ILE 54 HB ILE 54 -0.867 -4.552 -4.245 449 HG12 ILE 54 2HG1 ILE 54 1.001 -6.163 -4.442 450 HG13 ILE 54 1HG1 ILE 54 1.006 -5.318 -2.899 451 HG21 ILE 54 1HG2 ILE 54 -2.691 -4.976 -2.682 452 HG22 ILE 54 2HG2 ILE 54 -1.178 -4.694 -1.823 453 HG23 ILE 54 3HG2 ILE 54 -1.800 -6.335 -1.998 454 HD11 ILE 54 3HD1 ILE 54 1.552 -7.666 -2.625 455 HD12 ILE 54 1HD1 ILE 54 0.021 -8.120 -3.375 456 HD13 ILE 54 2HD1 ILE 54 0.026 -7.278 -1.827 457 H ALA 55 HN ALA 55 -4.049 -6.536 -3.820 458 HA ALA 55 HA ALA 55 -5.133 -4.747 -5.891 459 HB1 ALA 55 1HB ALA 55 -7.339 -5.587 -5.262 460 HB2 ALA 55 2HB ALA 55 -6.616 -6.575 -3.994 461 HB3 ALA 55 3HB ALA 55 -6.269 -6.921 -5.686 462 H LEU 56 HN LEU 56 -5.176 -2.684 -5.272 463 HA LEU 56 HA LEU 56 -5.664 -2.095 -2.423 464 HB2 LEU 56 2HB LEU 56 -4.030 -0.410 -4.314 465 HB3 LEU 56 1HB LEU 56 -4.225 -0.175 -2.593 466 HG LEU 56 HG LEU 56 -3.013 -2.433 -2.343 467 HD11 LEU 56 1HD1 LEU 56 -3.149 -3.152 -4.659 468 HD12 LEU 56 2HD1 LEU 56 -1.465 -2.952 -4.172 469 HD13 LEU 56 3HD1 LEU 56 -2.246 -1.726 -5.173 470 HD21 LEU 56 3HD2 LEU 56 -1.592 0.003 -3.394 471 HD22 LEU 56 1HD2 LEU 56 -0.840 -1.315 -2.497 472 HD23 LEU 56 2HD2 LEU 56 -2.054 -0.300 -1.721 473 H ARG 57 HN ARG 57 -7.158 -0.497 -1.983 474 HA ARG 57 HA ARG 57 -8.268 0.946 -4.274 475 HB2 ARG 57 2HB ARG 57 -9.192 0.845 -1.403 476 HB3 ARG 57 1HB ARG 57 -9.969 1.754 -2.679 477 HG2 ARG 57 2HG ARG 57 -10.393 -0.370 -3.874 478 HG3 ARG 57 1HG ARG 57 -9.722 -1.234 -2.486 479 HD2 ARG 57 2HD ARG 57 -11.417 0.053 -1.099 480 HD3 ARG 57 1HD ARG 57 -12.193 0.460 -2.625 481 HE ARG 57 HE ARG 57 -12.389 -2.003 -2.986 482 HH11 ARG 57 1HH1 ARG 57 -12.216 -0.642 0.237 483 HH12 ARG 57 2HH1 ARG 57 -13.007 -1.995 0.991 484 HH21 ARG 57 1HH2 ARG 57 -13.434 -3.783 -1.986 485 HH22 ARG 57 2HH2 ARG 57 -13.688 -3.774 -0.271 486 H LEU 58 HN LEU 58 -7.211 2.701 -4.764 487 HA LEU 58 HA LEU 58 -5.955 4.237 -2.600 488 HB2 LEU 58 2HB LEU 58 -4.167 4.803 -4.308 489 HB3 LEU 58 1HB LEU 58 -4.149 3.189 -3.631 490 HG LEU 58 HG LEU 58 -5.543 2.634 -5.820 491 HD11 LEU 58 1HD1 LEU 58 -4.739 3.913 -7.737 492 HD12 LEU 58 2HD1 LEU 58 -3.885 5.011 -6.653 493 HD13 LEU 58 3HD1 LEU 58 -5.647 4.937 -6.622 494 HD21 LEU 58 3HD2 LEU 58 -3.428 1.612 -5.167 495 HD22 LEU 58 1HD2 LEU 58 -2.556 3.016 -5.782 496 HD23 LEU 58 2HD2 LEU 58 -3.456 1.982 -6.891 497 H ARG 59 HN ARG 59 -6.267 6.329 -2.566 498 HA ARG 59 HA ARG 59 -7.007 8.421 -3.082 499 HB2 ARG 59 2HB ARG 59 -5.519 7.844 -5.135 500 HB3 ARG 59 1HB ARG 59 -7.044 7.671 -5.990 501 HG2 ARG 59 2HG ARG 59 -7.612 9.987 -5.418 502 HG3 ARG 59 1HG ARG 59 -6.052 10.149 -4.603 503 HD2 ARG 59 2HD ARG 59 -4.966 9.500 -6.764 504 HD3 ARG 59 1HD ARG 59 -6.554 9.615 -7.520 505 HE ARG 59 HE ARG 59 -5.901 12.013 -6.134 506 HH11 ARG 59 1HH1 ARG 59 -5.361 10.198 -9.071 507 HH12 ARG 59 2HH1 ARG 59 -4.810 11.573 -9.987 508 HH21 ARG 59 1HH2 ARG 59 -5.171 13.841 -7.338 509 HH22 ARG 59 2HH2 ARG 59 -4.721 13.636 -9.005 510 H GLY 60 HN GLY 60 -8.759 5.759 -3.342 511 HA2 GLY 60 2HA GLY 60 -11.155 6.082 -2.834 512 HA3 GLY 60 1HA GLY 60 -11.189 7.192 -4.195 513 H TYR 61 HN TYR 61 -9.278 5.155 -5.582 514 HA TYR 61 HA TYR 61 -11.402 3.256 -6.303 515 HB2 TYR 61 2HB TYR 61 -10.389 3.454 -8.697 516 HB3 TYR 61 1HB TYR 61 -11.549 4.641 -8.131 517 HD1 TYR 61 1HD TYR 61 -10.806 6.927 -7.556 518 HD2 TYR 61 2HD TYR 61 -8.098 4.046 -9.132 519 HE1 TYR 61 1HE TYR 61 -9.214 8.722 -8.086 520 HE2 TYR 61 2HE TYR 61 -6.494 5.837 -9.661 521 HH TYR 61 HH TYR 61 -6.639 8.359 -10.142 522 H SER 62 HN SER 62 -10.805 1.264 -7.048 523 HA SER 62 HA SER 62 -8.456 0.187 -5.913 524 HB2 SER 62 2HB SER 62 -10.117 -1.235 -7.964 525 HB3 SER 62 1HB SER 62 -9.332 -1.874 -6.526 526 HG SER 62 HG SER 62 -11.684 -1.591 -6.425 527 H LEU 63 HN LEU 63 -6.562 -0.374 -6.770 528 HA LEU 63 HA LEU 63 -6.177 -0.570 -9.635 529 HB2 LEU 63 2HB LEU 63 -5.793 1.837 -9.041 530 HB3 LEU 63 1HB LEU 63 -4.498 1.322 -7.981 531 HG LEU 63 HG LEU 63 -4.345 0.517 -10.848 532 HD11 LEU 63 1HD1 LEU 63 -4.997 2.850 -11.006 533 HD12 LEU 63 2HD1 LEU 63 -3.288 2.671 -11.407 534 HD13 LEU 63 3HD1 LEU 63 -3.763 3.296 -9.828 535 HD21 LEU 63 3HD2 LEU 63 -1.955 0.893 -10.451 536 HD22 LEU 63 1HD2 LEU 63 -2.638 -0.229 -9.271 537 HD23 LEU 63 2HD2 LEU 63 -2.316 1.445 -8.814 538 H SER 64 HN SER 64 -4.267 -1.778 -10.150 539 HA SER 64 HA SER 64 -3.287 -3.291 -7.818 540 HB2 SER 64 2HB SER 64 -4.770 -4.598 -9.308 541 HB3 SER 64 1HB SER 64 -3.663 -4.297 -10.647 542 HG SER 64 HG SER 64 -2.934 -5.587 -8.224 543 H LEU 65 HN LEU 65 -1.196 -3.401 -7.474 544 HA LEU 65 HA LEU 65 0.679 -2.984 -9.682 545 HB2 LEU 65 2HB LEU 65 2.197 -1.837 -7.968 546 HB3 LEU 65 1HB LEU 65 0.881 -0.902 -8.646 547 HG LEU 65 HG LEU 65 0.421 -2.286 -6.039 548 HD11 LEU 65 1HD1 LEU 65 1.973 0.279 -6.369 549 HD12 LEU 65 2HD1 LEU 65 2.603 -1.244 -5.743 550 HD13 LEU 65 3HD1 LEU 65 1.365 -0.365 -4.844 551 HD21 LEU 65 3HD2 LEU 65 -0.955 -0.310 -5.637 552 HD22 LEU 65 1HD2 LEU 65 -1.395 -1.083 -7.162 553 HD23 LEU 65 2HD2 LEU 65 -0.416 0.385 -7.166 554 H ARG 66 HN ARG 66 2.952 -3.766 -8.988 555 HA ARG 66 HA ARG 66 2.479 -6.475 -8.064 556 HB2 ARG 66 2HB ARG 66 4.796 -5.108 -9.398 557 HB3 ARG 66 1HB ARG 66 4.964 -6.718 -8.712 558 HG2 ARG 66 2HG ARG 66 2.912 -5.970 -10.783 559 HG3 ARG 66 1HG ARG 66 4.483 -6.690 -11.147 560 HD2 ARG 66 2HD ARG 66 3.921 -8.650 -9.847 561 HD3 ARG 66 1HD ARG 66 2.395 -7.920 -9.357 562 HE ARG 66 HE ARG 66 2.259 -7.932 -12.072 563 HH11 ARG 66 1HH1 ARG 66 2.896 -10.394 -9.647 564 HH12 ARG 66 2HH1 ARG 66 2.138 -11.668 -10.567 565 HH21 ARG 66 1HH2 ARG 66 1.273 -9.617 -13.282 566 HH22 ARG 66 2HH2 ARG 66 1.223 -11.221 -12.627 567 H LYS 67 HN LYS 67 4.191 -7.538 -6.764 568 HA LYS 67 HA LYS 67 4.290 -6.608 -4.168 569 HB2 LYS 67 2HB LYS 67 4.649 -8.944 -4.840 570 HB3 LYS 67 1HB LYS 67 6.191 -8.505 -5.557 571 HG2 LYS 67 2HG LYS 67 6.977 -7.819 -3.299 572 HG3 LYS 67 1HG LYS 67 5.464 -8.448 -2.639 573 HD2 LYS 67 2HD LYS 67 7.424 -10.066 -4.262 574 HD3 LYS 67 1HD LYS 67 7.366 -10.049 -2.500 575 HE2 LYS 67 2HE LYS 67 5.197 -11.026 -2.481 576 HE3 LYS 67 1HE LYS 67 5.009 -10.798 -4.221 577 HZ1 LYS 67 3HZ LYS 67 7.077 -12.547 -3.001 578 HZ2 LYS 67 1HZ LYS 67 6.667 -12.428 -4.639 579 HZ3 LYS 67 2HZ LYS 67 5.573 -13.110 -3.543 580 H SER 68 HN SER 68 6.555 -6.041 -6.794 581 HA SER 68 HA SER 68 8.723 -5.171 -5.207 582 HB2 SER 68 2HB SER 68 8.792 -5.934 -7.640 583 HB3 SER 68 1HB SER 68 8.185 -4.333 -8.060 584 HG SER 68 HG SER 68 10.065 -3.521 -6.846 585 H GLU 69 HN GLU 69 6.186 -3.396 -6.960 586 HA GLU 69 HA GLU 69 7.009 -0.817 -6.204 587 HB2 GLU 69 2HB GLU 69 4.208 -1.780 -6.826 588 HB3 GLU 69 1HB GLU 69 4.726 -0.104 -6.787 589 HG2 GLU 69 2HG GLU 69 4.749 -0.534 -9.024 590 HG3 GLU 69 1HG GLU 69 6.426 -0.868 -8.595 591 H ALA 70 HN ALA 70 4.738 -3.083 -4.718 592 HA ALA 70 HA ALA 70 3.933 -1.391 -2.598 593 HB1 ALA 70 1HB ALA 70 2.656 -3.359 -3.312 594 HB2 ALA 70 2HB ALA 70 3.019 -3.406 -1.587 595 HB3 ALA 70 3HB ALA 70 3.941 -4.405 -2.710 596 H LYS 71 HN LYS 71 6.748 -3.307 -3.119 597 HA LYS 71 HA LYS 71 7.582 -3.433 -0.389 598 HB2 LYS 71 2HB LYS 71 8.491 -5.109 -1.736 599 HB3 LYS 71 1HB LYS 71 8.871 -4.000 -3.040 600 HG2 LYS 71 2HG LYS 71 10.317 -3.661 -0.466 601 HG3 LYS 71 1HG LYS 71 10.738 -5.036 -1.492 602 HD2 LYS 71 2HD LYS 71 11.165 -3.549 -3.355 603 HD3 LYS 71 1HD LYS 71 10.661 -2.160 -2.393 604 HE2 LYS 71 2HE LYS 71 12.521 -2.586 -0.841 605 HE3 LYS 71 1HE LYS 71 13.037 -3.938 -1.853 606 HZ1 LYS 71 3HZ LYS 71 12.811 -1.133 -2.800 607 HZ2 LYS 71 1HZ LYS 71 13.460 -2.447 -3.655 608 HZ3 LYS 71 2HZ LYS 71 14.257 -1.847 -2.285 609 H ASP 72 HN ASP 72 7.876 -1.101 -2.957 610 HA ASP 72 HA ASP 72 9.880 0.412 -1.469 611 HB2 ASP 72 2HB ASP 72 8.834 0.512 -4.259 612 HB3 ASP 72 1HB ASP 72 9.514 1.980 -3.571 613 H ILE 73 HN ILE 73 6.926 0.052 -0.785 614 HA ILE 73 HA ILE 73 6.481 2.907 -0.215 615 HB ILE 73 HB ILE 73 4.323 0.827 -0.654 616 HG12 ILE 73 2HG1 ILE 73 5.045 3.231 -2.350 617 HG13 ILE 73 1HG1 ILE 73 5.436 1.561 -2.750 618 HG21 ILE 73 1HG2 ILE 73 4.120 3.779 -0.073 619 HG22 ILE 73 2HG2 ILE 73 3.699 2.468 1.028 620 HG23 ILE 73 3HG2 ILE 73 2.768 2.713 -0.449 621 HD11 ILE 73 3HD1 ILE 73 2.653 2.655 -2.422 622 HD12 ILE 73 1HD1 ILE 73 3.085 1.019 -2.916 623 HD13 ILE 73 2HD1 ILE 73 3.471 2.386 -3.960 624 H LEU 74 HN LEU 74 6.729 3.278 1.901 625 HA LEU 74 HA LEU 74 6.363 1.035 3.765 626 HB2 LEU 74 2HB LEU 74 7.782 3.683 4.158 627 HB3 LEU 74 1HB LEU 74 7.712 2.374 5.318 628 HG LEU 74 HG LEU 74 9.080 2.275 2.631 629 HD11 LEU 74 1HD1 LEU 74 10.281 3.657 4.207 630 HD12 LEU 74 2HD1 LEU 74 11.133 2.130 3.972 631 HD13 LEU 74 3HD1 LEU 74 10.179 2.393 5.433 632 HD21 LEU 74 3HD2 LEU 74 9.945 0.103 3.419 633 HD22 LEU 74 1HD2 LEU 74 8.195 0.101 3.200 634 HD23 LEU 74 2HD2 LEU 74 8.880 0.212 4.821 635 H VAL 75 HN VAL 75 4.614 1.025 5.035 636 HA VAL 75 HA VAL 75 3.230 3.565 5.623 637 HB VAL 75 HB VAL 75 1.050 2.528 5.139 638 HG11 VAL 75 1HG1 VAL 75 2.971 2.504 2.817 639 HG12 VAL 75 2HG1 VAL 75 2.044 3.882 3.410 640 HG13 VAL 75 3HG1 VAL 75 1.213 2.509 2.678 641 HG21 VAL 75 3HG2 VAL 75 0.937 0.425 3.883 642 HG22 VAL 75 1HG2 VAL 75 1.642 0.198 5.482 643 HG23 VAL 75 2HG2 VAL 75 2.680 0.231 4.057 644 H GLU 76 HN GLU 76 1.436 3.210 7.245 645 HA GLU 76 HA GLU 76 1.663 0.799 8.859 646 HB2 GLU 76 2HB GLU 76 3.126 2.522 9.956 647 HB3 GLU 76 1HB GLU 76 1.713 3.555 10.124 648 HG2 GLU 76 2HG GLU 76 0.672 2.025 11.621 649 HG3 GLU 76 1HG GLU 76 1.884 0.791 11.295 650 H VAL 77 HN VAL 77 -0.257 0.524 10.241 651 HA VAL 77 HA VAL 77 -2.581 0.960 8.712 652 HB VAL 77 HB VAL 77 -2.211 -1.001 10.185 653 HG11 VAL 77 1HG1 VAL 77 -1.254 0.093 12.116 654 HG12 VAL 77 2HG1 VAL 77 -2.692 -0.814 12.588 655 HG13 VAL 77 3HG1 VAL 77 -2.769 0.940 12.421 656 HG21 VAL 77 3HG2 VAL 77 -4.446 -0.493 9.361 657 HG22 VAL 77 1HG2 VAL 77 -4.735 0.549 10.755 658 HG23 VAL 77 2HG2 VAL 77 -4.520 -1.187 10.982 659 H LEU 78 HN LEU 78 -4.439 2.174 9.138 660 HA LEU 78 HA LEU 78 -3.921 4.782 10.189 661 HB2 LEU 78 2HB LEU 78 -6.259 3.449 8.895 662 HB3 LEU 78 1HB LEU 78 -6.467 5.000 9.680 663 HG LEU 78 HG LEU 78 -4.530 4.448 7.427 664 HD11 LEU 78 1HD1 LEU 78 -7.181 5.889 7.423 665 HD12 LEU 78 2HD1 LEU 78 -6.847 4.323 6.679 666 HD13 LEU 78 3HD1 LEU 78 -6.062 5.778 6.064 667 HD21 LEU 78 3HD2 LEU 78 -4.294 6.886 7.366 668 HD22 LEU 78 1HD2 LEU 78 -3.768 6.221 8.910 669 HD23 LEU 78 2HD2 LEU 78 -5.333 7.020 8.784 670 H LEU 79 HN LEU 79 -4.590 2.061 11.829 671 HA LEU 79 HA LEU 79 -6.544 2.904 13.667 672 HB2 LEU 79 2HB LEU 79 -4.295 0.919 14.000 673 HB3 LEU 79 1HB LEU 79 -5.618 1.131 15.128 674 HG LEU 79 HG LEU 79 -5.851 0.164 12.282 675 HD11 LEU 79 1HD1 LEU 79 -4.899 -1.512 13.730 676 HD12 LEU 79 2HD1 LEU 79 -6.570 -1.940 13.357 677 HD13 LEU 79 3HD1 LEU 79 -6.166 -1.244 14.927 678 HD21 LEU 79 3HD2 LEU 79 -7.984 0.513 14.386 679 HD22 LEU 79 1HD2 LEU 79 -8.205 -0.209 12.793 680 HD23 LEU 79 2HD2 LEU 79 -7.792 1.500 12.935 681 H GLU 80 HN GLU 80 -6.189 4.916 14.458 682 HA GLU 80 HA GLU 80 -3.743 6.063 15.083 683 HB2 GLU 80 2HB GLU 80 -5.141 7.636 16.524 684 HB3 GLU 80 1HB GLU 80 -5.569 7.522 14.824 685 HG2 GLU 80 2HG GLU 80 -7.399 6.003 15.385 686 HG3 GLU 80 1HG GLU 80 -6.973 6.130 17.092 687 H HIS 81 HN HIS 81 -6.058 4.522 17.317 688 HA HIS 81 HA HIS 81 -4.101 4.702 19.456 689 HB2 HIS 81 2HB HIS 81 -6.646 5.044 19.715 690 HB3 HIS 81 1HB HIS 81 -6.761 3.293 19.603 691 HD1 HIS 81 1HD HIS 81 -5.259 5.988 21.792 692 HD2 HIS 81 2HD HIS 81 -6.226 1.944 21.932 693 HE1 HIS 81 1HE HIS 81 -4.977 5.305 24.195 694 HE2 HIS 81 2HE HIS 81 -5.757 2.915 24.292 695 H HIS 82 HN HIS 82 -2.463 3.350 18.688 696 HA HIS 82 HA HIS 82 -3.124 0.495 18.767 697 HB2 HIS 82 2HB HIS 82 -1.607 0.024 16.915 698 HB3 HIS 82 1HB HIS 82 -2.864 1.140 16.405 699 HD1 HIS 82 1HD HIS 82 -2.014 3.776 16.413 700 HD2 HIS 82 2HD HIS 82 0.883 0.807 16.194 701 HE1 HIS 82 1HE HIS 82 0.034 4.896 15.499 702 HE2 HIS 82 2HE HIS 82 1.646 3.014 15.076 703 H HIS 83 HN HIS 83 -1.608 -0.844 19.661 704 HA HIS 83 HA HIS 83 0.408 0.554 21.281 705 HB2 HIS 83 2HB HIS 83 -0.660 -2.264 21.583 706 HB3 HIS 83 1HB HIS 83 0.403 -1.425 22.706 707 HD1 HIS 83 1HD HIS 83 -0.694 0.610 24.043 708 HD2 HIS 83 2HD HIS 83 -3.331 -1.837 21.945 709 HE1 HIS 83 1HE HIS 83 -2.984 1.106 24.977 710 HE2 HIS 83 2HE HIS 83 -4.570 -0.278 23.592 711 H HIS 84 HN HIS 84 2.510 0.337 20.812 712 HA HIS 84 HA HIS 84 3.380 -1.625 18.874 713 HB2 HIS 84 2HB HIS 84 4.367 0.761 19.203 714 HB3 HIS 84 1HB HIS 84 5.240 0.049 20.559 715 HD1 HIS 84 1HD HIS 84 7.345 -1.231 20.016 716 HD2 HIS 84 2HD HIS 84 5.028 -0.433 16.657 717 HE1 HIS 84 1HE HIS 84 8.727 -1.960 18.047 718 HE2 HIS 84 2HE HIS 84 7.178 -1.734 16.067 719 H HIS 85 HN HIS 85 3.663 -3.670 19.471 720 HA HIS 85 HA HIS 85 3.400 -4.270 22.264 721 HB2 HIS 85 2HB HIS 85 2.101 -5.497 20.586 722 HB3 HIS 85 1HB HIS 85 3.590 -6.121 19.884 723 HD1 HIS 85 1HD HIS 85 2.131 -6.077 23.413 724 HD2 HIS 85 2HD HIS 85 3.980 -8.651 20.714 725 HE1 HIS 85 1HE HIS 85 2.321 -8.288 24.599 726 HE2 HIS 85 2HE HIS 85 3.243 -9.875 22.870 727 H HIS 86 HN HIS 86 4.970 -4.523 23.605 728 HA HIS 86 HA HIS 86 7.194 -6.255 22.896 729 HB2 HIS 86 2HB HIS 86 8.110 -4.008 22.513 730 HB3 HIS 86 1HB HIS 86 7.613 -3.517 24.128 731 HD1 HIS 86 1HD HIS 86 9.894 -6.084 22.504 732 HD2 HIS 86 2HD HIS 86 9.536 -3.884 26.016 733 HE1 HIS 86 1HE HIS 86 11.961 -6.602 23.844 734 HE2 HIS 86 2HE HIS 86 11.607 -5.439 26.053 Start of MODEL 14 1 H1 MET 1 H1 MET 1 12.674 7.631 14.597 2 H2 MET 1 H2 MET 1 11.838 8.388 13.330 3 H3 MET 1 H3 MET 1 13.458 7.937 13.125 4 HA MET 1 HA MET 1 12.891 5.616 13.271 5 HB2 MET 1 2HB MET 1 10.069 6.680 13.532 6 HB3 MET 1 1HB MET 1 10.469 4.999 13.218 7 HG2 MET 1 2HG MET 1 11.564 4.827 15.362 8 HG3 MET 1 1HG MET 1 11.277 6.539 15.670 9 HE1 MET 1 2HE MET 1 9.585 3.018 15.140 10 HE2 MET 1 3HE MET 1 8.823 4.033 13.915 11 HE3 MET 1 1HE MET 1 7.876 3.440 15.278 12 H THR 2 HN THR 2 12.232 4.438 11.364 13 HA THR 2 HA THR 2 11.921 5.955 8.968 14 HB THR 2 HB THR 2 11.301 3.023 9.424 15 HG1 THR 2 1HG THR 2 13.721 4.414 8.921 16 HG21 THR 2 3HG2 THR 2 11.712 2.792 7.025 17 HG22 THR 2 1HG2 THR 2 12.005 4.527 6.900 18 HG23 THR 2 2HG2 THR 2 10.401 3.933 7.325 19 H LYS 3 HN LYS 3 9.790 3.851 10.861 20 HA LYS 3 HA LYS 3 7.572 3.716 11.156 21 HB2 LYS 3 2HB LYS 3 7.731 5.911 12.117 22 HB3 LYS 3 1HB LYS 3 7.700 6.662 10.528 23 HG2 LYS 3 2HG LYS 3 5.444 6.280 10.242 24 HG3 LYS 3 1HG LYS 3 5.415 4.953 11.402 25 HD2 LYS 3 2HD LYS 3 5.884 7.833 12.155 26 HD3 LYS 3 1HD LYS 3 4.300 7.054 12.180 27 HE2 LYS 3 2HE LYS 3 5.261 5.336 13.725 28 HE3 LYS 3 1HE LYS 3 6.729 6.311 13.804 29 HZ1 LYS 3 3HZ LYS 3 4.015 7.219 14.598 30 HZ2 LYS 3 1HZ LYS 3 5.441 8.136 14.709 31 HZ3 LYS 3 2HZ LYS 3 5.244 6.747 15.668 32 H GLY 4 HN GLY 4 6.846 2.363 9.701 33 HA2 GLY 4 2HA GLY 4 5.051 2.431 7.931 34 HA3 GLY 4 1HA GLY 4 6.198 3.416 7.030 35 H ILE 5 HN ILE 5 5.111 0.310 7.650 36 HA ILE 5 HA ILE 5 7.534 -1.009 6.746 37 HB ILE 5 HB ILE 5 6.199 -3.080 6.814 38 HG12 ILE 5 2HG1 ILE 5 3.943 -1.314 7.801 39 HG13 ILE 5 1HG1 ILE 5 4.020 -2.048 6.202 40 HG21 ILE 5 1HG2 ILE 5 5.894 -3.173 9.232 41 HG22 ILE 5 2HG2 ILE 5 5.943 -1.412 9.313 42 HG23 ILE 5 3HG2 ILE 5 7.375 -2.312 8.813 43 HD11 ILE 5 3HD1 ILE 5 3.965 -4.266 7.220 44 HD12 ILE 5 1HD1 ILE 5 2.562 -3.303 7.679 45 HD13 ILE 5 2HD1 ILE 5 3.887 -3.528 8.820 46 H GLY 6 HN GLY 6 7.226 -2.574 4.813 47 HA2 GLY 6 2HA GLY 6 6.453 -0.920 2.599 48 HA3 GLY 6 1HA GLY 6 7.026 -2.575 2.505 49 H LEU 7 HN LEU 7 4.776 -1.207 1.161 50 HA LEU 7 HA LEU 7 2.328 -2.069 2.272 51 HB2 LEU 7 2HB LEU 7 2.627 -0.289 0.542 52 HB3 LEU 7 1HB LEU 7 2.968 -1.545 -0.631 53 HG LEU 7 HG LEU 7 0.710 -2.428 -0.391 54 HD11 LEU 7 1HD1 LEU 7 -0.951 -1.275 0.966 55 HD12 LEU 7 2HD1 LEU 7 0.283 -0.162 1.556 56 HD13 LEU 7 3HD1 LEU 7 0.368 -1.874 1.973 57 HD21 LEU 7 3HD2 LEU 7 1.111 -0.682 -2.035 58 HD22 LEU 7 1HD2 LEU 7 0.785 0.554 -0.821 59 HD23 LEU 7 2HD2 LEU 7 -0.505 -0.526 -1.346 60 H ASN 8 HN ASN 8 4.826 -3.704 0.625 61 HA ASN 8 HA ASN 8 3.265 -5.934 -0.279 62 HB2 ASN 8 2HB ASN 8 5.435 -7.031 -0.676 63 HB3 ASN 8 1HB ASN 8 5.394 -5.417 -1.371 64 HD21 ASN 8 1HD2 ASN 8 7.649 -7.144 -0.516 65 HD22 ASN 8 2HD2 ASN 8 8.564 -6.167 0.582 66 H GLU 9 HN GLU 9 4.572 -4.913 2.708 67 HA GLU 9 HA GLU 9 4.723 -7.579 3.837 68 HB2 GLU 9 2HB GLU 9 5.159 -4.880 5.128 69 HB3 GLU 9 1HB GLU 9 5.558 -6.437 5.824 70 HG2 GLU 9 2HG GLU 9 7.155 -6.808 3.988 71 HG3 GLU 9 1HG GLU 9 6.797 -5.191 3.389 72 H VAL 10 HN VAL 10 2.405 -5.212 3.345 73 HA VAL 10 HA VAL 10 0.848 -5.719 5.734 74 HB VAL 10 HB VAL 10 -0.019 -4.240 3.247 75 HG11 VAL 10 1HG1 VAL 10 -1.540 -3.065 4.759 76 HG12 VAL 10 2HG1 VAL 10 -0.955 -4.042 6.106 77 HG13 VAL 10 3HG1 VAL 10 -1.830 -4.805 4.777 78 HG21 VAL 10 3HG2 VAL 10 0.714 -2.182 4.343 79 HG22 VAL 10 1HG2 VAL 10 2.066 -3.275 4.045 80 HG23 VAL 10 2HG2 VAL 10 1.391 -3.131 5.668 81 H GLU 11 HN GLU 11 -1.431 -6.478 5.536 82 HA GLU 11 HA GLU 11 -1.677 -8.523 3.440 83 HB2 GLU 11 2HB GLU 11 -1.075 -9.354 5.788 84 HB3 GLU 11 1HB GLU 11 -2.704 -8.881 6.250 85 HG2 GLU 11 2HG GLU 11 -3.646 -10.425 4.650 86 HG3 GLU 11 1HG GLU 11 -2.038 -10.839 4.063 87 H ILE 12 HN ILE 12 -4.202 -9.430 3.983 88 HA ILE 12 HA ILE 12 -5.637 -7.496 2.496 89 HB ILE 12 HB ILE 12 -7.466 -9.103 2.499 90 HG12 ILE 12 2HG1 ILE 12 -5.773 -10.705 4.433 91 HG13 ILE 12 1HG1 ILE 12 -7.235 -9.826 4.866 92 HG21 ILE 12 1HG2 ILE 12 -4.753 -10.370 2.135 93 HG22 ILE 12 2HG2 ILE 12 -5.656 -9.450 0.931 94 HG23 ILE 12 3HG2 ILE 12 -6.266 -11.006 1.491 95 HD11 ILE 12 3HD1 ILE 12 -7.070 -12.143 2.952 96 HD12 ILE 12 1HD1 ILE 12 -8.535 -11.260 3.382 97 HD13 ILE 12 2HD1 ILE 12 -7.677 -12.194 4.609 98 H LYS 13 HN LYS 13 -7.550 -6.456 2.930 99 HA LYS 13 HA LYS 13 -9.206 -5.407 4.019 100 HB2 LYS 13 2HB LYS 13 -8.911 -7.787 5.838 101 HB3 LYS 13 1HB LYS 13 -10.203 -6.602 5.998 102 HG2 LYS 13 2HG LYS 13 -10.810 -7.105 3.606 103 HG3 LYS 13 1HG LYS 13 -9.671 -8.451 3.688 104 HD2 LYS 13 2HD LYS 13 -10.932 -9.481 5.455 105 HD3 LYS 13 1HD LYS 13 -11.997 -8.077 5.568 106 HE2 LYS 13 2HE LYS 13 -12.692 -8.508 3.209 107 HE3 LYS 13 1HE LYS 13 -11.752 -9.999 3.256 108 HZ1 LYS 13 3HZ LYS 13 -13.141 -10.785 5.063 109 HZ2 LYS 13 1HZ LYS 13 -14.097 -10.390 3.716 110 HZ3 LYS 13 2HZ LYS 13 -14.030 -9.342 5.045 111 H SER 14 HN SER 14 -6.327 -4.902 4.836 112 HA SER 14 HA SER 14 -6.900 -3.605 7.405 113 HB2 SER 14 2HB SER 14 -4.232 -3.944 6.016 114 HB3 SER 14 1HB SER 14 -4.498 -3.378 7.664 115 HG SER 14 HG SER 14 -5.492 -5.891 6.894 116 H LYS 15 HN LYS 15 -6.373 -1.323 7.628 117 HA LYS 15 HA LYS 15 -6.191 0.041 5.042 118 HB2 LYS 15 2HB LYS 15 -7.347 1.934 5.998 119 HB3 LYS 15 1HB LYS 15 -8.317 0.488 6.190 120 HG2 LYS 15 2HG LYS 15 -7.783 0.359 8.512 121 HG3 LYS 15 1HG LYS 15 -6.596 1.657 8.359 122 HD2 LYS 15 2HD LYS 15 -8.605 2.565 9.309 123 HD3 LYS 15 1HD LYS 15 -8.430 3.184 7.668 124 HE2 LYS 15 2HE LYS 15 -9.982 1.357 6.916 125 HE3 LYS 15 1HE LYS 15 -10.270 0.991 8.617 126 HZ1 LYS 15 3HZ LYS 15 -11.988 2.436 7.717 127 HZ2 LYS 15 1HZ LYS 15 -10.825 3.595 7.287 128 HZ3 LYS 15 2HZ LYS 15 -11.110 3.249 8.922 129 H VAL 16 HN VAL 16 -4.675 1.573 4.756 130 HA VAL 16 HA VAL 16 -2.822 2.161 6.944 131 HB VAL 16 HB VAL 16 -0.871 1.656 5.488 132 HG11 VAL 16 1HG1 VAL 16 -2.674 -0.705 6.023 133 HG12 VAL 16 2HG1 VAL 16 -1.554 0.034 7.168 134 HG13 VAL 16 3HG1 VAL 16 -0.937 -0.783 5.732 135 HG21 VAL 16 3HG2 VAL 16 -1.968 1.789 3.319 136 HG22 VAL 16 1HG2 VAL 16 -2.925 0.357 3.698 137 HG23 VAL 16 2HG2 VAL 16 -1.175 0.227 3.518 138 H LYS 17 HN LYS 17 -0.983 3.614 5.849 139 HA LYS 17 HA LYS 17 -2.104 5.429 3.874 140 HB2 LYS 17 2HB LYS 17 -2.945 6.243 6.025 141 HB3 LYS 17 1HB LYS 17 -1.311 6.318 6.648 142 HG2 LYS 17 2HG LYS 17 -0.761 8.072 5.091 143 HG3 LYS 17 1HG LYS 17 -2.348 7.932 4.328 144 HD2 LYS 17 2HD LYS 17 -3.358 8.485 6.560 145 HD3 LYS 17 1HD LYS 17 -1.727 8.847 7.130 146 HE2 LYS 17 2HE LYS 17 -1.499 10.575 5.438 147 HE3 LYS 17 1HE LYS 17 -3.095 10.178 4.798 148 HZ1 LYS 17 3HZ LYS 17 -3.175 12.116 6.229 149 HZ2 LYS 17 1HZ LYS 17 -2.530 11.224 7.519 150 HZ3 LYS 17 2HZ LYS 17 -4.066 10.844 6.909 151 H VAL 18 HN VAL 18 -0.551 6.666 2.846 152 HA VAL 18 HA VAL 18 2.067 5.493 2.861 153 HB VAL 18 HB VAL 18 1.193 7.973 1.374 154 HG11 VAL 18 1HG1 VAL 18 3.011 7.376 -0.167 155 HG12 VAL 18 2HG1 VAL 18 3.446 6.028 0.881 156 HG13 VAL 18 3HG1 VAL 18 3.606 7.683 1.466 157 HG21 VAL 18 3HG2 VAL 18 0.771 6.476 -0.532 158 HG22 VAL 18 1HG2 VAL 18 -0.308 6.150 0.826 159 HG23 VAL 18 2HG2 VAL 18 1.063 5.085 0.515 160 H ILE 19 HN ILE 19 2.988 5.891 4.803 161 HA ILE 19 HA ILE 19 3.222 8.552 5.875 162 HB ILE 19 HB ILE 19 4.644 6.030 6.731 163 HG12 ILE 19 2HG1 ILE 19 2.192 5.759 6.795 164 HG13 ILE 19 1HG1 ILE 19 2.889 5.774 8.410 165 HG21 ILE 19 1HG2 ILE 19 4.934 7.169 8.868 166 HG22 ILE 19 2HG2 ILE 19 4.134 8.601 8.221 167 HG23 ILE 19 3HG2 ILE 19 5.683 8.080 7.558 168 HD11 ILE 19 3HD1 ILE 19 0.828 7.040 8.340 169 HD12 ILE 19 1HD1 ILE 19 1.481 8.066 7.060 170 HD13 ILE 19 2HD1 ILE 19 2.195 8.106 8.673 171 H GLY 20 HN GLY 20 5.261 6.240 4.159 172 HA2 GLY 20 2HA GLY 20 7.135 8.421 3.598 173 HA3 GLY 20 1HA GLY 20 7.764 6.959 4.334 174 H ILE 21 HN ILE 21 8.829 7.727 2.057 175 HA ILE 21 HA ILE 21 7.913 5.693 0.149 176 HB ILE 21 HB ILE 21 8.616 8.557 -0.551 177 HG12 ILE 21 2HG1 ILE 21 6.063 6.981 -0.943 178 HG13 ILE 21 1HG1 ILE 21 6.313 8.261 0.239 179 HG21 ILE 21 1HG2 ILE 21 8.045 6.237 -2.396 180 HG22 ILE 21 2HG2 ILE 21 9.592 7.059 -2.196 181 HG23 ILE 21 3HG2 ILE 21 8.221 7.918 -2.897 182 HD11 ILE 21 3HD1 ILE 21 6.619 9.867 -1.576 183 HD12 ILE 21 1HD1 ILE 21 5.053 9.063 -1.667 184 HD13 ILE 21 2HD1 ILE 21 6.355 8.581 -2.754 185 H VAL 22 HN VAL 22 9.675 4.949 -1.242 186 HA VAL 22 HA VAL 22 12.281 5.318 0.053 187 HB VAL 22 HB VAL 22 11.525 3.107 -1.855 188 HG11 VAL 22 1HG1 VAL 22 13.908 3.503 -1.674 189 HG12 VAL 22 2HG1 VAL 22 13.487 1.990 -0.870 190 HG13 VAL 22 3HG1 VAL 22 13.809 3.437 0.085 191 HG21 VAL 22 3HG2 VAL 22 11.279 1.679 0.130 192 HG22 VAL 22 1HG2 VAL 22 10.086 2.977 0.101 193 HG23 VAL 22 2HG2 VAL 22 11.489 3.095 1.162 194 HA PRO 23 HA PRO 23 12.759 7.938 -3.666 195 HB2 PRO 23 2HB PRO 23 15.215 8.682 -2.189 196 HB3 PRO 23 1HB PRO 23 13.953 9.715 -2.867 197 HG2 PRO 23 2HG PRO 23 14.151 9.341 -0.238 198 HG3 PRO 23 1HG PRO 23 12.567 9.447 -1.030 199 HD2 PRO 23 2HD PRO 23 14.054 7.026 -0.082 200 HD3 PRO 23 1HD PRO 23 12.323 7.401 0.038 201 H GLU 24 HN GLU 24 14.712 8.362 -5.087 202 HA GLU 24 HA GLU 24 16.202 7.582 -6.579 203 HB2 GLU 24 2HB GLU 24 17.232 5.964 -4.246 204 HB3 GLU 24 1HB GLU 24 18.095 6.345 -5.724 205 HG2 GLU 24 2HG GLU 24 18.007 8.729 -5.154 206 HG3 GLU 24 1HG GLU 24 17.200 8.314 -3.642 207 H SER 25 HN SER 25 13.667 6.125 -6.139 208 HA SER 25 HA SER 25 14.432 3.418 -6.969 209 HB2 SER 25 2HB SER 25 12.836 3.723 -5.040 210 HB3 SER 25 1HB SER 25 11.693 4.424 -6.173 211 HG SER 25 HG SER 25 11.778 1.983 -5.598 212 H LYS 26 HN LYS 26 13.770 2.580 -8.933 213 HA LYS 26 HA LYS 26 12.988 4.496 -10.941 214 HB2 LYS 26 2HB LYS 26 13.585 1.545 -11.046 215 HB3 LYS 26 1HB LYS 26 12.952 2.410 -12.439 216 HG2 LYS 26 2HG LYS 26 15.260 2.363 -12.769 217 HG3 LYS 26 1HG LYS 26 14.935 3.984 -12.157 218 HD2 LYS 26 2HD LYS 26 15.564 3.189 -9.887 219 HD3 LYS 26 1HD LYS 26 16.018 1.639 -10.599 220 HE2 LYS 26 2HE LYS 26 17.598 2.890 -12.088 221 HE3 LYS 26 1HE LYS 26 17.244 4.338 -11.147 222 HZ1 LYS 26 3HZ LYS 26 18.003 3.066 -9.154 223 HZ2 LYS 26 1HZ LYS 26 19.223 3.375 -10.291 224 HZ3 LYS 26 2HZ LYS 26 18.522 1.835 -10.193 225 H VAL 27 HN VAL 27 11.439 2.083 -8.982 226 HA VAL 27 HA VAL 27 9.007 2.172 -10.551 227 HB VAL 27 HB VAL 27 8.024 0.704 -8.865 228 HG11 VAL 27 1HG1 VAL 27 10.775 -0.170 -9.733 229 HG12 VAL 27 2HG1 VAL 27 9.289 -0.301 -10.674 230 HG13 VAL 27 3HG1 VAL 27 9.480 -1.239 -9.193 231 HG21 VAL 27 3HG2 VAL 27 10.656 0.960 -7.419 232 HG22 VAL 27 1HG2 VAL 27 9.353 -0.152 -7.001 233 HG23 VAL 27 2HG2 VAL 27 9.101 1.588 -6.873 234 H ARG 28 HN ARG 28 10.406 3.849 -7.875 235 HA ARG 28 HA ARG 28 8.195 4.950 -6.621 236 HB2 ARG 28 2HB ARG 28 10.467 5.346 -5.844 237 HB3 ARG 28 1HB ARG 28 10.835 6.262 -7.297 238 HG2 ARG 28 2HG ARG 28 8.539 7.329 -5.874 239 HG3 ARG 28 1HG ARG 28 9.996 7.285 -4.879 240 HD2 ARG 28 2HD ARG 28 11.218 8.546 -6.519 241 HD3 ARG 28 1HD ARG 28 9.868 8.468 -7.648 242 HE ARG 28 HE ARG 28 8.708 9.709 -5.623 243 HH11 ARG 28 1HH1 ARG 28 11.890 10.241 -6.990 244 HH12 ARG 28 2HH1 ARG 28 11.889 11.943 -6.640 245 HH21 ARG 28 1HH2 ARG 28 8.717 11.930 -5.150 246 HH22 ARG 28 2HH2 ARG 28 10.095 12.904 -5.579 247 H ARG 29 HN ARG 29 9.652 5.800 -9.712 248 HA ARG 29 HA ARG 29 8.180 8.078 -10.344 249 HB2 ARG 29 2HB ARG 29 9.463 5.900 -11.929 250 HB3 ARG 29 1HB ARG 29 8.376 6.998 -12.760 251 HG2 ARG 29 2HG ARG 29 9.755 8.891 -12.075 252 HG3 ARG 29 1HG ARG 29 10.836 7.787 -11.218 253 HD2 ARG 29 2HD ARG 29 11.599 6.804 -13.193 254 HD3 ARG 29 1HD ARG 29 10.239 7.412 -14.130 255 HE ARG 29 HE ARG 29 11.704 9.605 -13.179 256 HH11 ARG 29 1HH1 ARG 29 12.133 6.895 -15.360 257 HH12 ARG 29 2HH1 ARG 29 13.134 7.781 -16.477 258 HH21 ARG 29 1HH2 ARG 29 13.032 10.775 -14.650 259 HH22 ARG 29 2HH2 ARG 29 13.621 9.984 -16.085 260 H LYS 30 HN LYS 30 7.476 4.711 -11.188 261 HA LYS 30 HA LYS 30 5.000 5.030 -12.374 262 HB2 LYS 30 2HB LYS 30 6.320 2.957 -12.397 263 HB3 LYS 30 1HB LYS 30 5.997 2.725 -10.690 264 HG2 LYS 30 2HG LYS 30 3.629 2.436 -11.155 265 HG3 LYS 30 1HG LYS 30 3.918 2.731 -12.872 266 HD2 LYS 30 2HD LYS 30 5.361 0.763 -12.976 267 HD3 LYS 30 1HD LYS 30 5.101 0.471 -11.256 268 HE2 LYS 30 2HE LYS 30 2.879 0.551 -13.281 269 HE3 LYS 30 1HE LYS 30 3.723 -0.928 -12.830 270 HZ1 LYS 30 3HZ LYS 30 2.241 0.827 -10.949 271 HZ2 LYS 30 1HZ LYS 30 2.992 -0.646 -10.563 272 HZ3 LYS 30 2HZ LYS 30 1.653 -0.622 -11.602 273 H ILE 31 HN ILE 31 5.787 4.410 -9.000 274 HA ILE 31 HA ILE 31 3.211 4.140 -7.979 275 HB ILE 31 HB ILE 31 5.699 5.236 -6.647 276 HG12 ILE 31 2HG1 ILE 31 4.497 2.462 -6.547 277 HG13 ILE 31 1HG1 ILE 31 5.836 2.927 -7.590 278 HG21 ILE 31 1HG2 ILE 31 4.624 4.634 -4.520 279 HG22 ILE 31 2HG2 ILE 31 3.145 4.237 -5.394 280 HG23 ILE 31 3HG2 ILE 31 3.741 5.897 -5.379 281 HD11 ILE 31 3HD1 ILE 31 7.185 3.447 -5.630 282 HD12 ILE 31 1HD1 ILE 31 6.615 1.779 -5.600 283 HD13 ILE 31 2HD1 ILE 31 5.839 2.994 -4.584 284 H MET 32 HN MET 32 5.228 7.104 -8.094 285 HA MET 32 HA MET 32 3.108 8.664 -6.955 286 HB2 MET 32 2HB MET 32 5.735 9.488 -8.191 287 HB3 MET 32 1HB MET 32 4.610 10.607 -7.430 288 HG2 MET 32 2HG MET 32 4.798 9.216 -5.348 289 HG3 MET 32 1HG MET 32 6.112 8.349 -6.139 290 HE1 MET 32 3HE MET 32 5.192 12.190 -6.303 291 HE2 MET 32 1HE MET 32 6.232 12.826 -5.029 292 HE3 MET 32 2HE MET 32 4.901 11.743 -4.622 293 H ASP 33 HN ASP 33 4.214 7.936 -10.173 294 HA ASP 33 HA ASP 33 2.715 9.896 -11.567 295 HB2 ASP 33 2HB ASP 33 4.489 8.674 -12.688 296 HB3 ASP 33 1HB ASP 33 3.659 7.146 -12.412 297 H MET 34 HN MET 34 1.975 6.779 -10.215 298 HA MET 34 HA MET 34 -0.612 6.558 -11.428 299 HB2 MET 34 2HB MET 34 0.947 4.974 -9.441 300 HB3 MET 34 1HB MET 34 -0.791 4.730 -9.523 301 HG2 MET 34 2HG MET 34 -0.577 4.280 -11.932 302 HG3 MET 34 1HG MET 34 1.167 4.433 -11.785 303 HE1 MET 34 3HE MET 34 0.788 1.994 -13.148 304 HE2 MET 34 1HE MET 34 -0.936 1.954 -12.778 305 HE3 MET 34 2HE MET 34 0.089 0.583 -12.352 306 H GLY 35 HN GLY 35 0.534 8.488 -8.993 307 HA2 GLY 35 2HA GLY 35 -0.965 10.155 -8.141 308 HA3 GLY 35 1HA GLY 35 -2.240 8.949 -8.121 309 H ILE 36 HN ILE 36 0.553 7.544 -6.957 310 HA ILE 36 HA ILE 36 -0.465 7.725 -4.236 311 HB ILE 36 HB ILE 36 1.911 6.145 -5.189 312 HG12 ILE 36 2HG1 ILE 36 -0.946 5.193 -4.920 313 HG13 ILE 36 1HG1 ILE 36 -0.187 5.606 -6.452 314 HG21 ILE 36 1HG2 ILE 36 1.446 4.773 -3.207 315 HG22 ILE 36 2HG2 ILE 36 0.130 5.863 -2.776 316 HG23 ILE 36 3HG2 ILE 36 1.794 6.449 -2.786 317 HD11 ILE 36 3HD1 ILE 36 0.668 3.405 -4.585 318 HD12 ILE 36 1HD1 ILE 36 1.453 3.823 -6.108 319 HD13 ILE 36 2HD1 ILE 36 -0.202 3.211 -6.107 320 H VAL 37 HN VAL 37 0.326 9.024 -2.778 321 HA VAL 37 HA VAL 37 3.087 9.961 -2.903 322 HB VAL 37 HB VAL 37 2.419 12.316 -2.499 323 HG11 VAL 37 1HG1 VAL 37 3.003 11.600 -4.769 324 HG12 VAL 37 2HG1 VAL 37 1.793 12.883 -4.778 325 HG13 VAL 37 3HG1 VAL 37 1.309 11.214 -5.077 326 HG21 VAL 37 3HG2 VAL 37 0.113 13.026 -2.981 327 HG22 VAL 37 1HG2 VAL 37 0.202 11.953 -1.583 328 HG23 VAL 37 2HG2 VAL 37 -0.361 11.336 -3.136 329 H ARG 38 HN ARG 38 3.621 11.240 -0.866 330 HA ARG 38 HA ARG 38 2.784 9.784 1.422 331 HB2 ARG 38 2HB ARG 38 4.400 12.299 1.069 332 HB3 ARG 38 1HB ARG 38 3.976 11.696 2.664 333 HG2 ARG 38 2HG ARG 38 5.118 9.596 2.184 334 HG3 ARG 38 1HG ARG 38 5.543 10.195 0.580 335 HD2 ARG 38 2HD ARG 38 6.357 11.483 3.181 336 HD3 ARG 38 1HD ARG 38 7.377 10.402 2.234 337 HE ARG 38 HE ARG 38 7.154 12.112 0.403 338 HH11 ARG 38 1HH1 ARG 38 6.792 13.014 3.778 339 HH12 ARG 38 2HH1 ARG 38 7.348 14.642 3.526 340 HH21 ARG 38 1HH2 ARG 38 7.858 14.257 0.084 341 HH22 ARG 38 2HH2 ARG 38 7.959 15.343 1.433 342 H GLY 39 HN GLY 39 0.808 9.905 2.188 343 HA2 GLY 39 2HA GLY 39 -0.529 11.531 3.624 344 HA3 GLY 39 1HA GLY 39 -0.557 12.518 2.168 345 H THR 40 HN THR 40 -0.702 9.866 0.620 346 HA THR 40 HA THR 40 -3.557 9.786 0.453 347 HB THR 40 HB THR 40 -1.777 7.700 -0.758 348 HG1 THR 40 1HG THR 40 -2.227 9.956 -2.291 349 HG21 THR 40 3HG2 THR 40 -3.405 7.882 -2.607 350 HG22 THR 40 1HG2 THR 40 -4.287 9.094 -1.684 351 HG23 THR 40 2HG2 THR 40 -4.168 7.443 -1.080 352 H GLU 41 HN GLU 41 -4.939 8.165 1.090 353 HA GLU 41 HA GLU 41 -3.888 6.280 3.064 354 HB2 GLU 41 2HB GLU 41 -6.661 7.387 2.580 355 HB3 GLU 41 1HB GLU 41 -6.301 6.134 3.751 356 HG2 GLU 41 2HG GLU 41 -4.918 7.619 5.020 357 HG3 GLU 41 1HG GLU 41 -5.041 8.861 3.779 358 H ILE 42 HN ILE 42 -4.385 4.117 2.944 359 HA ILE 42 HA ILE 42 -5.283 3.212 0.282 360 HB ILE 42 HB ILE 42 -3.035 2.068 1.942 361 HG12 ILE 42 2HG1 ILE 42 -2.921 3.589 -0.670 362 HG13 ILE 42 1HG1 ILE 42 -2.466 4.239 0.901 363 HG21 ILE 42 1HG2 ILE 42 -4.204 0.361 0.662 364 HG22 ILE 42 2HG2 ILE 42 -2.603 0.647 -0.018 365 HG23 ILE 42 3HG2 ILE 42 -4.030 1.319 -0.808 366 HD11 ILE 42 3HD1 ILE 42 -1.136 1.946 -0.525 367 HD12 ILE 42 1HD1 ILE 42 -0.690 2.567 1.065 368 HD13 ILE 42 2HD1 ILE 42 -0.510 3.588 -0.362 369 H TYR 43 HN TYR 43 -6.936 1.818 0.376 370 HA TYR 43 HA TYR 43 -7.326 0.288 2.858 371 HB2 TYR 43 2HB TYR 43 -9.184 1.811 1.801 372 HB3 TYR 43 1HB TYR 43 -9.385 0.470 0.679 373 HD1 TYR 43 1HD TYR 43 -9.782 1.579 4.145 374 HD2 TYR 43 2HD TYR 43 -10.296 -1.662 1.433 375 HE1 TYR 43 1HE TYR 43 -11.211 0.442 5.786 376 HE2 TYR 43 2HE TYR 43 -11.731 -2.807 3.071 377 HH TYR 43 HH TYR 43 -12.038 -2.792 5.577 378 H ILE 44 HN ILE 44 -6.638 -1.762 2.784 379 HA ILE 44 HA ILE 44 -5.863 -2.936 0.280 380 HB ILE 44 HB ILE 44 -5.999 -4.319 2.960 381 HG12 ILE 44 2HG1 ILE 44 -4.645 -2.295 3.198 382 HG13 ILE 44 1HG1 ILE 44 -3.623 -3.726 3.239 383 HG21 ILE 44 1HG2 ILE 44 -4.338 -4.873 0.504 384 HG22 ILE 44 2HG2 ILE 44 -5.749 -5.789 1.031 385 HG23 ILE 44 3HG2 ILE 44 -4.288 -5.779 2.018 386 HD11 ILE 44 3HD1 ILE 44 -4.008 -1.907 0.878 387 HD12 ILE 44 1HD1 ILE 44 -2.977 -3.335 0.928 388 HD13 ILE 44 2HD1 ILE 44 -2.607 -1.945 1.949 389 H GLU 45 HN GLU 45 -7.278 -3.816 -1.047 390 HA GLU 45 HA GLU 45 -9.816 -4.833 -0.172 391 HB2 GLU 45 2HB GLU 45 -8.389 -4.784 -2.826 392 HB3 GLU 45 1HB GLU 45 -9.936 -5.591 -2.613 393 HG2 GLU 45 2HG GLU 45 -9.500 -2.702 -1.930 394 HG3 GLU 45 1HG GLU 45 -10.015 -3.248 -3.525 395 H GLY 46 HN GLY 46 -6.822 -6.208 -1.459 396 HA2 GLY 46 2HA GLY 46 -6.757 -8.435 0.176 397 HA3 GLY 46 1HA GLY 46 -7.674 -8.911 -1.248 398 H LYS 47 HN LYS 47 -5.749 -10.417 -1.282 399 HA LYS 47 HA LYS 47 -3.755 -9.222 -3.068 400 HB2 LYS 47 2HB LYS 47 -3.089 -11.283 -0.948 401 HB3 LYS 47 1HB LYS 47 -1.969 -10.538 -2.076 402 HG2 LYS 47 2HG LYS 47 -2.365 -8.359 -1.029 403 HG3 LYS 47 1HG LYS 47 -3.461 -9.120 0.124 404 HD2 LYS 47 2HD LYS 47 -1.315 -8.816 1.167 405 HD3 LYS 47 1HD LYS 47 -1.573 -10.540 0.893 406 HE2 LYS 47 2HE LYS 47 -0.151 -10.488 -1.054 407 HE3 LYS 47 1HE LYS 47 0.014 -8.738 -0.927 408 HZ1 LYS 47 3HZ LYS 47 1.229 -8.984 1.096 409 HZ2 LYS 47 1HZ LYS 47 1.943 -9.994 -0.062 410 HZ3 LYS 47 2HZ LYS 47 0.948 -10.652 1.147 411 H ALA 48 HN ALA 48 -3.299 -10.438 -4.839 412 HA ALA 48 HA ALA 48 -5.147 -12.357 -5.681 413 HB1 ALA 48 1HB ALA 48 -3.847 -11.001 -7.228 414 HB2 ALA 48 2HB ALA 48 -3.629 -12.717 -7.575 415 HB3 ALA 48 3HB ALA 48 -2.369 -11.820 -6.726 416 HA PRO 49 HA PRO 49 -4.079 -16.293 -4.099 417 HB2 PRO 49 2HB PRO 49 -3.682 -17.768 -6.441 418 HB3 PRO 49 1HB PRO 49 -5.223 -17.515 -5.616 419 HG2 PRO 49 2HG PRO 49 -4.071 -16.086 -7.968 420 HG3 PRO 49 1HG PRO 49 -5.755 -16.533 -7.636 421 HD2 PRO 49 2HD PRO 49 -4.915 -14.019 -7.334 422 HD3 PRO 49 1HD PRO 49 -6.076 -14.737 -6.198 423 H MET 50 HN MET 50 -1.918 -15.107 -6.636 424 HA MET 50 HA MET 50 0.232 -16.818 -5.633 425 HB2 MET 50 2HB MET 50 -0.177 -16.548 -8.092 426 HB3 MET 50 1HB MET 50 0.297 -14.863 -7.940 427 HG2 MET 50 2HG MET 50 2.521 -15.542 -7.212 428 HG3 MET 50 1HG MET 50 2.049 -17.238 -7.339 429 HE1 MET 50 3HE MET 50 4.621 -15.998 -8.726 430 HE2 MET 50 1HE MET 50 4.546 -16.731 -10.330 431 HE3 MET 50 2HE MET 50 4.177 -17.694 -8.900 432 H GLY 51 HN GLY 51 -1.072 -14.069 -4.629 433 HA2 GLY 51 2HA GLY 51 -0.280 -12.556 -3.066 434 HA3 GLY 51 1HA GLY 51 1.340 -13.193 -3.303 435 H ASP 52 HN ASP 52 0.080 -12.540 -6.273 436 HA ASP 52 HA ASP 52 0.576 -9.692 -6.355 437 HB2 ASP 52 2HB ASP 52 2.854 -10.612 -6.563 438 HB3 ASP 52 1HB ASP 52 2.329 -11.626 -7.901 439 HA PRO 53 HA PRO 53 0.369 -8.134 -7.584 440 HB2 PRO 53 2HB PRO 53 -1.584 -6.457 -8.319 441 HB3 PRO 53 1HB PRO 53 -0.406 -7.067 -9.486 442 HG2 PRO 53 2HG PRO 53 -3.220 -7.952 -8.994 443 HG3 PRO 53 1HG PRO 53 -2.368 -7.736 -10.533 444 HD2 PRO 53 2HD PRO 53 -2.736 -10.163 -9.284 445 HD3 PRO 53 1HD PRO 53 -1.435 -9.816 -10.439 446 H ILE 54 HN ILE 54 -0.765 -6.318 -6.214 447 HA ILE 54 HA ILE 54 -2.471 -7.668 -4.237 448 HB ILE 54 HB ILE 54 -0.890 -5.108 -3.900 449 HG12 ILE 54 2HG1 ILE 54 -0.231 -7.915 -2.962 450 HG13 ILE 54 1HG1 ILE 54 0.579 -7.069 -4.276 451 HG21 ILE 54 1HG2 ILE 54 -1.308 -5.469 -1.509 452 HG22 ILE 54 2HG2 ILE 54 -2.279 -6.887 -1.898 453 HG23 ILE 54 3HG2 ILE 54 -2.810 -5.287 -2.415 454 HD11 ILE 54 3HD1 ILE 54 1.890 -7.012 -2.233 455 HD12 ILE 54 1HD1 ILE 54 0.560 -6.227 -1.387 456 HD13 ILE 54 2HD1 ILE 54 1.382 -5.391 -2.702 457 H ALA 55 HN ALA 55 -4.528 -7.064 -4.034 458 HA ALA 55 HA ALA 55 -5.581 -5.053 -5.803 459 HB1 ALA 55 1HB ALA 55 -6.758 -7.183 -5.438 460 HB2 ALA 55 2HB ALA 55 -7.762 -5.788 -5.036 461 HB3 ALA 55 3HB ALA 55 -7.013 -6.737 -3.751 462 H LEU 56 HN LEU 56 -5.201 -3.024 -5.212 463 HA LEU 56 HA LEU 56 -5.652 -2.263 -2.400 464 HB2 LEU 56 2HB LEU 56 -4.041 -0.785 -4.476 465 HB3 LEU 56 1HB LEU 56 -4.122 -0.441 -2.760 466 HG LEU 56 HG LEU 56 -2.962 -2.979 -3.904 467 HD11 LEU 56 1HD1 LEU 56 -0.778 -1.990 -3.393 468 HD12 LEU 56 2HD1 LEU 56 -1.571 -0.469 -2.983 469 HD13 LEU 56 3HD1 LEU 56 -1.641 -1.083 -4.635 470 HD21 LEU 56 3HD2 LEU 56 -2.843 -1.753 -1.153 471 HD22 LEU 56 1HD2 LEU 56 -1.996 -3.211 -1.668 472 HD23 LEU 56 2HD2 LEU 56 -3.758 -3.187 -1.619 473 H ARG 57 HN ARG 57 -7.007 -0.538 -1.952 474 HA ARG 57 HA ARG 57 -8.136 0.842 -4.292 475 HB2 ARG 57 2HB ARG 57 -9.725 -0.450 -2.715 476 HB3 ARG 57 1HB ARG 57 -9.432 0.856 -1.578 477 HG2 ARG 57 2HG ARG 57 -10.291 2.475 -3.155 478 HG3 ARG 57 1HG ARG 57 -10.508 1.212 -4.366 479 HD2 ARG 57 2HD ARG 57 -12.019 0.086 -2.626 480 HD3 ARG 57 1HD ARG 57 -12.012 1.646 -1.805 481 HE ARG 57 HE ARG 57 -12.694 1.818 -4.592 482 HH11 ARG 57 1HH1 ARG 57 -13.926 1.287 -1.361 483 HH12 ARG 57 2HH1 ARG 57 -15.567 1.672 -1.786 484 HH21 ARG 57 1HH2 ARG 57 -14.838 2.332 -5.165 485 HH22 ARG 57 2HH2 ARG 57 -16.088 2.271 -3.955 486 H LEU 58 HN LEU 58 -6.988 2.591 -4.583 487 HA LEU 58 HA LEU 58 -6.215 4.187 -2.236 488 HB2 LEU 58 2HB LEU 58 -4.284 2.991 -3.096 489 HB3 LEU 58 1HB LEU 58 -4.594 3.587 -4.710 490 HG LEU 58 HG LEU 58 -4.128 5.625 -2.600 491 HD11 LEU 58 1HD1 LEU 58 -2.446 3.917 -2.085 492 HD12 LEU 58 2HD1 LEU 58 -1.710 5.367 -2.767 493 HD13 LEU 58 3HD1 LEU 58 -1.921 3.932 -3.769 494 HD21 LEU 58 3HD2 LEU 58 -3.164 5.311 -5.444 495 HD22 LEU 58 1HD2 LEU 58 -2.949 6.733 -4.425 496 HD23 LEU 58 2HD2 LEU 58 -4.566 6.249 -4.935 497 H ARG 59 HN ARG 59 -6.201 6.381 -2.471 498 HA ARG 59 HA ARG 59 -6.797 8.437 -3.210 499 HB2 ARG 59 2HB ARG 59 -5.485 7.820 -5.244 500 HB3 ARG 59 1HB ARG 59 -6.963 7.215 -5.973 501 HG2 ARG 59 2HG ARG 59 -6.855 10.031 -4.998 502 HG3 ARG 59 1HG ARG 59 -6.093 9.605 -6.529 503 HD2 ARG 59 2HD ARG 59 -8.135 8.919 -7.474 504 HD3 ARG 59 1HD ARG 59 -8.941 8.876 -5.907 505 HE ARG 59 HE ARG 59 -8.208 11.473 -6.178 506 HH11 ARG 59 1HH1 ARG 59 -9.916 9.275 -8.298 507 HH12 ARG 59 2HH1 ARG 59 -10.998 10.488 -8.904 508 HH21 ARG 59 1HH2 ARG 59 -9.608 13.075 -6.962 509 HH22 ARG 59 2HH2 ARG 59 -10.801 12.672 -8.160 510 H GLY 60 HN GLY 60 -8.705 5.930 -4.859 511 HA2 GLY 60 2HA GLY 60 -11.102 6.563 -3.545 512 HA3 GLY 60 1HA GLY 60 -11.081 7.413 -5.084 513 H TYR 61 HN TYR 61 -9.348 5.025 -6.051 514 HA TYR 61 HA TYR 61 -11.556 3.127 -6.393 515 HB2 TYR 61 2HB TYR 61 -10.937 2.858 -8.773 516 HB3 TYR 61 1HB TYR 61 -11.525 4.468 -8.404 517 HD1 TYR 61 1HD TYR 61 -9.899 6.373 -8.284 518 HD2 TYR 61 2HD TYR 61 -8.740 2.489 -9.574 519 HE1 TYR 61 1HE TYR 61 -7.856 7.317 -9.272 520 HE2 TYR 61 2HE TYR 61 -6.693 3.421 -10.560 521 HH TYR 61 HH TYR 61 -5.877 5.566 -11.405 522 H SER 62 HN SER 62 -10.833 1.064 -7.291 523 HA SER 62 HA SER 62 -8.449 0.174 -5.933 524 HB2 SER 62 2HB SER 62 -10.461 -1.219 -5.888 525 HB3 SER 62 1HB SER 62 -10.417 -1.366 -7.641 526 HG SER 62 HG SER 62 -8.284 -2.182 -5.968 527 H LEU 63 HN LEU 63 -6.665 -0.706 -6.851 528 HA LEU 63 HA LEU 63 -6.297 -0.618 -9.734 529 HB2 LEU 63 2HB LEU 63 -5.766 1.674 -8.930 530 HB3 LEU 63 1HB LEU 63 -4.558 0.998 -7.857 531 HG LEU 63 HG LEU 63 -3.300 0.177 -9.832 532 HD11 LEU 63 1HD1 LEU 63 -5.384 1.707 -11.383 533 HD12 LEU 63 2HD1 LEU 63 -5.114 -0.035 -11.422 534 HD13 LEU 63 3HD1 LEU 63 -3.884 1.062 -12.048 535 HD21 LEU 63 3HD2 LEU 63 -2.738 2.319 -8.799 536 HD22 LEU 63 1HD2 LEU 63 -3.899 3.135 -9.847 537 HD23 LEU 63 2HD2 LEU 63 -2.474 2.362 -10.542 538 H SER 64 HN SER 64 -4.512 -1.891 -10.408 539 HA SER 64 HA SER 64 -3.719 -3.839 -8.405 540 HB2 SER 64 2HB SER 64 -3.782 -3.771 -11.382 541 HB3 SER 64 1HB SER 64 -2.776 -4.947 -10.563 542 HG SER 64 HG SER 64 -5.469 -4.921 -10.910 543 H LEU 65 HN LEU 65 -1.950 -3.430 -7.368 544 HA LEU 65 HA LEU 65 0.365 -2.280 -8.779 545 HB2 LEU 65 2HB LEU 65 -0.479 -2.162 -5.895 546 HB3 LEU 65 1HB LEU 65 1.193 -1.914 -6.345 547 HG LEU 65 HG LEU 65 0.174 0.222 -6.055 548 HD11 LEU 65 1HD1 LEU 65 1.764 0.017 -7.894 549 HD12 LEU 65 2HD1 LEU 65 0.537 1.241 -8.223 550 HD13 LEU 65 3HD1 LEU 65 0.437 -0.338 -9.001 551 HD21 LEU 65 3HD2 LEU 65 -1.761 0.969 -7.324 552 HD22 LEU 65 1HD2 LEU 65 -2.162 -0.430 -6.328 553 HD23 LEU 65 2HD2 LEU 65 -1.908 -0.625 -8.063 554 H ARG 66 HN ARG 66 2.365 -3.327 -8.605 555 HA ARG 66 HA ARG 66 2.112 -6.160 -7.992 556 HB2 ARG 66 2HB ARG 66 4.299 -4.560 -9.288 557 HB3 ARG 66 1HB ARG 66 4.458 -6.268 -8.907 558 HG2 ARG 66 2HG ARG 66 2.176 -6.366 -10.271 559 HG3 ARG 66 1HG ARG 66 2.888 -4.931 -11.017 560 HD2 ARG 66 2HD ARG 66 4.994 -6.282 -11.291 561 HD3 ARG 66 1HD ARG 66 4.055 -7.696 -10.833 562 HE ARG 66 HE ARG 66 3.400 -6.032 -13.178 563 HH11 ARG 66 1HH1 ARG 66 3.765 -9.150 -11.629 564 HH12 ARG 66 2HH1 ARG 66 3.388 -10.057 -13.065 565 HH21 ARG 66 1HH2 ARG 66 2.929 -7.208 -15.069 566 HH22 ARG 66 2HH2 ARG 66 2.910 -8.949 -15.028 567 H LYS 67 HN LYS 67 4.005 -7.231 -6.944 568 HA LYS 67 HA LYS 67 4.411 -6.361 -4.322 569 HB2 LYS 67 2HB LYS 67 4.724 -8.684 -5.151 570 HB3 LYS 67 1HB LYS 67 6.192 -8.169 -5.968 571 HG2 LYS 67 2HG LYS 67 7.092 -7.503 -3.725 572 HG3 LYS 67 1HG LYS 67 5.685 -8.291 -3.008 573 HD2 LYS 67 2HD LYS 67 7.771 -9.588 -4.757 574 HD3 LYS 67 1HD LYS 67 7.585 -9.803 -3.017 575 HE2 LYS 67 2HE LYS 67 5.415 -10.834 -3.354 576 HE3 LYS 67 1HE LYS 67 5.526 -10.552 -5.091 577 HZ1 LYS 67 3HZ LYS 67 7.332 -12.284 -3.492 578 HZ2 LYS 67 1HZ LYS 67 7.453 -12.012 -5.160 579 HZ3 LYS 67 2HZ LYS 67 6.106 -12.827 -4.535 580 H SER 68 HN SER 68 6.215 -5.755 -7.248 581 HA SER 68 HA SER 68 8.588 -4.756 -6.216 582 HB2 SER 68 2HB SER 68 7.180 -3.740 -8.693 583 HB3 SER 68 1HB SER 68 8.914 -3.743 -8.373 584 HG SER 68 HG SER 68 8.528 -6.167 -8.170 585 H GLU 69 HN GLU 69 5.687 -2.921 -7.213 586 HA GLU 69 HA GLU 69 6.643 -0.423 -6.286 587 HB2 GLU 69 2HB GLU 69 3.784 -1.321 -6.710 588 HB3 GLU 69 1HB GLU 69 4.306 0.341 -6.513 589 HG2 GLU 69 2HG GLU 69 4.126 0.239 -8.775 590 HG3 GLU 69 1HG GLU 69 5.818 -0.221 -8.581 591 H ALA 70 HN ALA 70 4.659 -2.926 -4.810 592 HA ALA 70 HA ALA 70 3.820 -1.509 -2.549 593 HB1 ALA 70 1HB ALA 70 2.823 -3.619 -3.261 594 HB2 ALA 70 2HB ALA 70 3.341 -3.692 -1.577 595 HB3 ALA 70 3HB ALA 70 4.306 -4.470 -2.832 596 H LYS 71 HN LYS 71 6.821 -3.160 -3.253 597 HA LYS 71 HA LYS 71 7.861 -3.240 -0.626 598 HB2 LYS 71 2HB LYS 71 8.924 -4.603 -2.242 599 HB3 LYS 71 1HB LYS 71 9.134 -3.260 -3.356 600 HG2 LYS 71 2HG LYS 71 10.733 -2.254 -1.736 601 HG3 LYS 71 1HG LYS 71 10.600 -3.724 -0.769 602 HD2 LYS 71 2HD LYS 71 11.525 -5.049 -2.520 603 HD3 LYS 71 1HD LYS 71 11.428 -3.709 -3.665 604 HE2 LYS 71 2HE LYS 71 13.713 -4.027 -2.882 605 HE3 LYS 71 1HE LYS 71 13.075 -2.468 -2.362 606 HZ1 LYS 71 3HZ LYS 71 12.652 -3.406 -0.176 607 HZ2 LYS 71 1HZ LYS 71 14.287 -3.576 -0.592 608 HZ3 LYS 71 2HZ LYS 71 13.245 -4.911 -0.678 609 H ASP 72 HN ASP 72 7.868 -0.782 -3.130 610 HA ASP 72 HA ASP 72 9.778 0.846 -1.669 611 HB2 ASP 72 2HB ASP 72 8.611 0.918 -4.417 612 HB3 ASP 72 1HB ASP 72 9.335 2.374 -3.754 613 H ILE 73 HN ILE 73 6.674 0.376 -1.200 614 HA ILE 73 HA ILE 73 6.111 3.210 -0.613 615 HB ILE 73 HB ILE 73 4.130 0.933 -0.834 616 HG12 ILE 73 2HG1 ILE 73 4.605 3.264 -2.706 617 HG13 ILE 73 1HG1 ILE 73 5.104 1.604 -3.013 618 HG21 ILE 73 1HG2 ILE 73 2.434 2.719 -0.708 619 HG22 ILE 73 2HG2 ILE 73 3.718 3.892 -0.411 620 HG23 ILE 73 3HG2 ILE 73 3.409 2.607 0.758 621 HD11 ILE 73 3HD1 ILE 73 3.053 2.197 -4.203 622 HD12 ILE 73 1HD1 ILE 73 2.262 2.532 -2.664 623 HD13 ILE 73 2HD1 ILE 73 2.787 0.893 -3.047 624 H LEU 74 HN LEU 74 6.410 3.725 1.462 625 HA LEU 74 HA LEU 74 6.359 1.597 3.472 626 HB2 LEU 74 2HB LEU 74 7.335 4.455 3.682 627 HB3 LEU 74 1HB LEU 74 7.500 3.219 4.911 628 HG LEU 74 HG LEU 74 8.799 3.140 2.189 629 HD11 LEU 74 1HD1 LEU 74 10.885 3.496 3.463 630 HD12 LEU 74 2HD1 LEU 74 9.922 3.775 4.913 631 HD13 LEU 74 3HD1 LEU 74 9.786 4.872 3.539 632 HD21 LEU 74 3HD2 LEU 74 9.074 1.327 4.582 633 HD22 LEU 74 1HD2 LEU 74 10.063 1.250 3.123 634 HD23 LEU 74 2HD2 LEU 74 8.332 0.918 3.036 635 H VAL 75 HN VAL 75 4.486 1.318 4.476 636 HA VAL 75 HA VAL 75 2.816 3.674 5.069 637 HB VAL 75 HB VAL 75 0.807 2.262 4.712 638 HG11 VAL 75 1HG1 VAL 75 1.528 3.754 2.949 639 HG12 VAL 75 2HG1 VAL 75 0.887 2.264 2.254 640 HG13 VAL 75 3HG1 VAL 75 2.630 2.526 2.328 641 HG21 VAL 75 3HG2 VAL 75 1.048 0.161 3.427 642 HG22 VAL 75 1HG2 VAL 75 1.762 0.066 5.038 643 HG23 VAL 75 2HG2 VAL 75 2.797 0.273 3.625 644 H GLU 76 HN GLU 76 1.742 3.669 7.018 645 HA GLU 76 HA GLU 76 2.414 1.467 8.846 646 HB2 GLU 76 2HB GLU 76 3.204 3.699 9.555 647 HB3 GLU 76 1HB GLU 76 1.548 4.289 9.519 648 HG2 GLU 76 2HG GLU 76 0.921 2.933 11.348 649 HG3 GLU 76 1HG GLU 76 2.410 1.996 11.253 650 H VAL 77 HN VAL 77 0.818 0.394 9.926 651 HA VAL 77 HA VAL 77 -1.726 0.324 8.652 652 HB VAL 77 HB VAL 77 -0.899 -1.045 11.221 653 HG11 VAL 77 1HG1 VAL 77 -2.667 -2.652 10.645 654 HG12 VAL 77 2HG1 VAL 77 -3.097 -1.665 9.249 655 HG13 VAL 77 3HG1 VAL 77 -3.307 -1.025 10.878 656 HG21 VAL 77 3HG2 VAL 77 0.657 -1.621 9.453 657 HG22 VAL 77 1HG2 VAL 77 -0.681 -2.001 8.366 658 HG23 VAL 77 2HG2 VAL 77 -0.396 -2.995 9.795 659 H LEU 78 HN LEU 78 -3.075 1.974 8.949 660 HA LEU 78 HA LEU 78 -3.245 3.257 11.560 661 HB2 LEU 78 2HB LEU 78 -4.335 3.970 8.855 662 HB3 LEU 78 1HB LEU 78 -4.792 4.826 10.312 663 HG LEU 78 HG LEU 78 -2.044 4.660 9.082 664 HD11 LEU 78 1HD1 LEU 78 -3.891 6.986 9.591 665 HD12 LEU 78 2HD1 LEU 78 -3.580 6.233 8.027 666 HD13 LEU 78 3HD1 LEU 78 -2.281 7.073 8.874 667 HD21 LEU 78 3HD2 LEU 78 -1.301 6.103 10.919 668 HD22 LEU 78 1HD2 LEU 78 -1.830 4.522 11.499 669 HD23 LEU 78 2HD2 LEU 78 -2.879 5.927 11.689 670 H LEU 79 HN LEU 79 -4.598 0.665 10.250 671 HA LEU 79 HA LEU 79 -7.317 0.805 10.768 672 HB2 LEU 79 2HB LEU 79 -5.828 -1.127 9.830 673 HB3 LEU 79 1HB LEU 79 -5.685 -1.612 11.504 674 HG LEU 79 HG LEU 79 -8.325 -1.341 10.063 675 HD11 LEU 79 1HD1 LEU 79 -6.645 -3.791 10.565 676 HD12 LEU 79 2HD1 LEU 79 -7.004 -3.068 8.996 677 HD13 LEU 79 3HD1 LEU 79 -8.298 -3.793 9.951 678 HD21 LEU 79 3HD2 LEU 79 -8.515 -1.172 12.478 679 HD22 LEU 79 1HD2 LEU 79 -7.572 -2.649 12.674 680 HD23 LEU 79 2HD2 LEU 79 -9.164 -2.713 11.918 681 H GLU 80 HN GLU 80 -8.195 1.612 12.564 682 HA GLU 80 HA GLU 80 -6.671 1.730 14.994 683 HB2 GLU 80 2HB GLU 80 -9.384 2.782 14.229 684 HB3 GLU 80 1HB GLU 80 -8.701 2.976 15.838 685 HG2 GLU 80 2HG GLU 80 -6.743 4.104 14.773 686 HG3 GLU 80 1HG GLU 80 -7.635 4.067 13.252 687 H HIS 81 HN HIS 81 -8.308 1.569 17.036 688 HA HIS 81 HA HIS 81 -9.096 0.100 18.570 689 HB2 HIS 81 2HB HIS 81 -10.217 -1.351 16.158 690 HB3 HIS 81 1HB HIS 81 -10.594 -1.748 17.829 691 HD1 HIS 81 1HD HIS 81 -11.919 0.041 15.072 692 HD2 HIS 81 2HD HIS 81 -11.767 0.715 19.178 693 HE1 HIS 81 1HE HIS 81 -13.748 1.705 15.560 694 HE2 HIS 81 2HE HIS 81 -13.552 2.200 18.023 695 H HIS 82 HN HIS 82 -9.338 -2.850 17.864 696 HA HIS 82 HA HIS 82 -6.726 -3.776 17.266 697 HB2 HIS 82 2HB HIS 82 -6.144 -4.645 19.514 698 HB3 HIS 82 1HB HIS 82 -6.186 -2.886 19.481 699 HD1 HIS 82 1HD HIS 82 -7.539 -5.778 21.260 700 HD2 HIS 82 2HD HIS 82 -8.565 -1.785 20.725 701 HE1 HIS 82 1HE HIS 82 -9.221 -5.261 23.055 702 HE2 HIS 82 2HE HIS 82 -9.988 -2.910 22.562 703 H HIS 83 HN HIS 83 -6.678 -6.220 18.390 704 HA HIS 83 HA HIS 83 -8.836 -7.597 17.168 705 HB2 HIS 83 2HB HIS 83 -6.869 -8.594 19.245 706 HB3 HIS 83 1HB HIS 83 -7.951 -9.611 18.303 707 HD1 HIS 83 1HD HIS 83 -7.498 -9.411 15.568 708 HD2 HIS 83 2HD HIS 83 -4.432 -8.279 18.145 709 HE1 HIS 83 1HE HIS 83 -5.393 -9.464 14.192 710 HE2 HIS 83 2HE HIS 83 -3.576 -8.646 15.731 711 H HIS 84 HN HIS 84 -10.850 -7.424 17.879 712 HA HIS 84 HA HIS 84 -11.318 -6.816 20.686 713 HB2 HIS 84 2HB HIS 84 -13.679 -6.414 19.978 714 HB3 HIS 84 1HB HIS 84 -12.504 -5.404 19.153 715 HD1 HIS 84 1HD HIS 84 -15.210 -7.815 18.566 716 HD2 HIS 84 2HD HIS 84 -12.097 -6.120 16.384 717 HE1 HIS 84 1HE HIS 84 -15.740 -8.278 16.146 718 HE2 HIS 84 2HE HIS 84 -13.813 -7.293 14.841 719 H HIS 85 HN HIS 85 -10.505 -9.483 19.688 720 HA HIS 85 HA HIS 85 -12.025 -11.004 21.525 721 HB2 HIS 85 2HB HIS 85 -13.162 -12.541 20.113 722 HB3 HIS 85 1HB HIS 85 -13.559 -10.955 19.465 723 HD1 HIS 85 1HD HIS 85 -12.978 -14.097 18.230 724 HD2 HIS 85 2HD HIS 85 -11.251 -10.416 17.353 725 HE1 HIS 85 1HE HIS 85 -11.962 -14.353 15.944 726 HE2 HIS 85 2HE HIS 85 -10.710 -12.199 15.558 727 H HIS 86 HN HIS 86 -11.191 -13.332 21.528 728 HA HIS 86 HA HIS 86 -8.503 -13.415 20.326 729 HB2 HIS 86 2HB HIS 86 -7.867 -14.962 22.225 730 HB3 HIS 86 1HB HIS 86 -8.133 -13.284 22.667 731 HD1 HIS 86 1HD HIS 86 -9.996 -16.599 22.782 732 HD2 HIS 86 2HD HIS 86 -9.814 -12.957 24.768 733 HE1 HIS 86 1HE HIS 86 -11.457 -16.869 24.810 734 HE2 HIS 86 2HE HIS 86 -11.125 -14.740 26.117 Start of MODEL 15 1 H1 MET 1 H1 MET 1 9.709 9.116 15.172 2 H2 MET 1 H2 MET 1 8.348 8.681 14.261 3 H3 MET 1 H3 MET 1 9.844 8.883 13.496 4 HA MET 1 HA MET 1 10.722 7.027 14.855 5 HB2 MET 1 2HB MET 1 7.781 6.797 15.522 6 HB3 MET 1 1HB MET 1 8.913 5.469 15.715 7 HG2 MET 1 2HG MET 1 8.565 6.527 17.829 8 HG3 MET 1 1HG MET 1 10.212 6.839 17.293 9 HE1 MET 1 2HE MET 1 9.330 10.079 19.287 10 HE2 MET 1 3HE MET 1 10.431 8.710 19.129 11 HE3 MET 1 1HE MET 1 8.768 8.450 19.660 12 H THR 2 HN THR 2 11.343 5.729 13.265 13 HA THR 2 HA THR 2 9.651 5.353 10.948 14 HB THR 2 HB THR 2 12.369 4.131 11.459 15 HG1 THR 2 1HG THR 2 11.893 6.517 9.984 16 HG21 THR 2 3HG2 THR 2 10.859 4.744 8.913 17 HG22 THR 2 1HG2 THR 2 11.121 3.142 9.604 18 HG23 THR 2 2HG2 THR 2 12.490 4.079 9.003 19 H LYS 3 HN LYS 3 8.012 4.003 11.364 20 HA LYS 3 HA LYS 3 8.679 1.310 12.351 21 HB2 LYS 3 2HB LYS 3 6.455 1.241 13.430 22 HB3 LYS 3 1HB LYS 3 7.472 2.516 14.094 23 HG2 LYS 3 2HG LYS 3 6.292 4.196 12.870 24 HG3 LYS 3 1HG LYS 3 5.394 2.978 11.965 25 HD2 LYS 3 2HD LYS 3 5.206 3.456 14.936 26 HD3 LYS 3 1HD LYS 3 4.035 3.997 13.731 27 HE2 LYS 3 2HE LYS 3 3.800 1.557 13.078 28 HE3 LYS 3 1HE LYS 3 4.703 1.179 14.545 29 HZ1 LYS 3 3HZ LYS 3 2.387 1.044 15.021 30 HZ2 LYS 3 1HZ LYS 3 2.094 2.580 14.355 31 HZ3 LYS 3 2HZ LYS 3 2.987 2.428 15.793 32 H GLY 4 HN GLY 4 7.691 3.103 9.835 33 HA2 GLY 4 2HA GLY 4 5.406 1.737 8.872 34 HA3 GLY 4 1HA GLY 4 6.458 2.783 7.932 35 H ILE 5 HN ILE 5 5.178 -0.094 7.836 36 HA ILE 5 HA ILE 5 7.573 -1.495 6.874 37 HB ILE 5 HB ILE 5 6.106 -3.495 6.739 38 HG12 ILE 5 2HG1 ILE 5 4.065 -1.692 8.065 39 HG13 ILE 5 1HG1 ILE 5 3.962 -2.322 6.427 40 HG21 ILE 5 1HG2 ILE 5 7.472 -3.092 8.718 41 HG22 ILE 5 2HG2 ILE 5 5.955 -3.885 9.146 42 HG23 ILE 5 3HG2 ILE 5 6.162 -2.158 9.441 43 HD11 ILE 5 3HD1 ILE 5 3.898 -3.937 8.965 44 HD12 ILE 5 1HD1 ILE 5 3.843 -4.600 7.331 45 HD13 ILE 5 2HD1 ILE 5 2.530 -3.575 7.912 46 H GLY 6 HN GLY 6 7.196 -2.791 4.810 47 HA2 GLY 6 2HA GLY 6 6.394 -0.984 2.760 48 HA3 GLY 6 1HA GLY 6 6.876 -2.659 2.539 49 H LEU 7 HN LEU 7 4.652 -1.024 1.412 50 HA LEU 7 HA LEU 7 2.152 -1.764 2.365 51 HB2 LEU 7 2HB LEU 7 2.811 -0.144 0.483 52 HB3 LEU 7 1HB LEU 7 2.866 -1.546 -0.561 53 HG LEU 7 HG LEU 7 0.781 -0.198 -0.735 54 HD11 LEU 7 1HD1 LEU 7 0.781 -2.508 -1.450 55 HD12 LEU 7 2HD1 LEU 7 -0.761 -2.099 -0.698 56 HD13 LEU 7 3HD1 LEU 7 0.434 -3.041 0.194 57 HD21 LEU 7 3HD2 LEU 7 0.573 0.438 1.599 58 HD22 LEU 7 1HD2 LEU 7 0.275 -1.244 2.041 59 HD23 LEU 7 2HD2 LEU 7 -0.885 -0.379 1.032 60 H ASN 8 HN ASN 8 4.396 -3.492 0.300 61 HA ASN 8 HA ASN 8 2.800 -5.676 -0.446 62 HB2 ASN 8 2HB ASN 8 4.930 -5.170 -1.522 63 HB3 ASN 8 1HB ASN 8 5.793 -5.474 -0.020 64 HD21 ASN 8 1HD2 ASN 8 7.065 -7.075 -0.757 65 HD22 ASN 8 2HD2 ASN 8 6.485 -8.620 -1.250 66 H GLU 9 HN GLU 9 4.069 -4.843 2.608 67 HA GLU 9 HA GLU 9 4.155 -7.626 3.501 68 HB2 GLU 9 2HB GLU 9 5.333 -5.144 4.747 69 HB3 GLU 9 1HB GLU 9 5.567 -6.791 5.297 70 HG2 GLU 9 2HG GLU 9 6.713 -7.356 3.265 71 HG3 GLU 9 1HG GLU 9 6.395 -5.756 2.606 72 H VAL 10 HN VAL 10 1.946 -5.303 3.370 73 HA VAL 10 HA VAL 10 1.029 -5.373 6.126 74 HB VAL 10 HB VAL 10 -0.391 -4.196 3.734 75 HG11 VAL 10 1HG1 VAL 10 -1.800 -4.520 5.706 76 HG12 VAL 10 2HG1 VAL 10 -1.547 -2.810 5.360 77 HG13 VAL 10 3HG1 VAL 10 -0.659 -3.584 6.672 78 HG21 VAL 10 3HG2 VAL 10 1.800 -3.189 3.889 79 HG22 VAL 10 1HG2 VAL 10 1.565 -2.884 5.610 80 HG23 VAL 10 2HG2 VAL 10 0.575 -2.036 4.421 81 H GLU 11 HN GLU 11 -1.197 -6.067 6.624 82 HA GLU 11 HA GLU 11 -1.721 -8.640 5.398 83 HB2 GLU 11 2HB GLU 11 -1.728 -8.142 7.923 84 HB3 GLU 11 1HB GLU 11 -3.290 -7.388 7.648 85 HG2 GLU 11 2HG GLU 11 -4.178 -9.491 6.815 86 HG3 GLU 11 1HG GLU 11 -2.603 -10.253 7.025 87 H ILE 12 HN ILE 12 -4.211 -9.131 5.216 88 HA ILE 12 HA ILE 12 -5.073 -7.300 3.133 89 HB ILE 12 HB ILE 12 -6.712 -9.034 2.531 90 HG12 ILE 12 2HG1 ILE 12 -5.467 -10.624 4.791 91 HG13 ILE 12 1HG1 ILE 12 -7.091 -9.943 4.804 92 HG21 ILE 12 1HG2 ILE 12 -5.105 -10.710 1.764 93 HG22 ILE 12 2HG2 ILE 12 -3.906 -10.079 2.893 94 HG23 ILE 12 3HG2 ILE 12 -4.473 -9.075 1.559 95 HD11 ILE 12 3HD1 ILE 12 -6.084 -12.051 2.907 96 HD12 ILE 12 1HD1 ILE 12 -7.715 -11.382 2.937 97 HD13 ILE 12 2HD1 ILE 12 -7.121 -12.323 4.307 98 H LYS 13 HN LYS 13 -7.132 -6.453 2.947 99 HA LYS 13 HA LYS 13 -8.865 -5.215 3.642 100 HB2 LYS 13 2HB LYS 13 -9.273 -7.590 5.453 101 HB3 LYS 13 1HB LYS 13 -10.452 -6.299 5.237 102 HG2 LYS 13 2HG LYS 13 -10.361 -6.809 2.765 103 HG3 LYS 13 1HG LYS 13 -9.460 -8.263 3.193 104 HD2 LYS 13 2HD LYS 13 -11.320 -9.067 4.513 105 HD3 LYS 13 1HD LYS 13 -12.211 -7.569 4.220 106 HE2 LYS 13 2HE LYS 13 -12.114 -8.064 1.784 107 HE3 LYS 13 1HE LYS 13 -11.380 -9.618 2.171 108 HZ1 LYS 13 3HZ LYS 13 -14.045 -8.745 3.150 109 HZ2 LYS 13 1HZ LYS 13 -13.348 -10.285 3.315 110 HZ3 LYS 13 2HZ LYS 13 -13.797 -9.717 1.783 111 H SER 14 HN SER 14 -6.988 -3.910 4.416 112 HA SER 14 HA SER 14 -7.801 -2.834 6.970 113 HB2 SER 14 2HB SER 14 -4.929 -3.608 6.399 114 HB3 SER 14 1HB SER 14 -5.460 -2.647 7.769 115 HG SER 14 HG SER 14 -6.731 -5.091 7.393 116 H LYS 15 HN LYS 15 -7.008 -0.618 7.237 117 HA LYS 15 HA LYS 15 -6.413 0.624 4.646 118 HB2 LYS 15 2HB LYS 15 -7.663 1.790 7.136 119 HB3 LYS 15 1HB LYS 15 -7.233 2.731 5.715 120 HG2 LYS 15 2HG LYS 15 -8.776 1.345 4.375 121 HG3 LYS 15 1HG LYS 15 -9.257 0.510 5.855 122 HD2 LYS 15 2HD LYS 15 -10.019 2.626 6.803 123 HD3 LYS 15 1HD LYS 15 -9.531 3.469 5.334 124 HE2 LYS 15 2HE LYS 15 -11.908 3.084 5.281 125 HE3 LYS 15 1HE LYS 15 -11.130 2.088 4.053 126 HZ1 LYS 15 3HZ LYS 15 -11.993 1.139 6.734 127 HZ2 LYS 15 1HZ LYS 15 -11.299 0.184 5.519 128 HZ3 LYS 15 2HZ LYS 15 -12.829 0.869 5.282 129 H VAL 16 HN VAL 16 -4.575 1.696 4.345 130 HA VAL 16 HA VAL 16 -2.874 2.214 6.694 131 HB VAL 16 HB VAL 16 -0.888 1.597 5.367 132 HG11 VAL 16 1HG1 VAL 16 -1.188 -0.828 5.433 133 HG12 VAL 16 2HG1 VAL 16 -2.935 -0.611 5.557 134 HG13 VAL 16 3HG1 VAL 16 -1.883 -0.055 6.859 135 HG21 VAL 16 3HG2 VAL 16 -1.797 1.998 3.139 136 HG22 VAL 16 1HG2 VAL 16 -2.883 0.620 3.324 137 HG23 VAL 16 2HG2 VAL 16 -1.138 0.368 3.269 138 H LYS 17 HN LYS 17 -1.353 3.897 6.444 139 HA LYS 17 HA LYS 17 -2.012 5.769 4.268 140 HB2 LYS 17 2HB LYS 17 -2.806 6.660 6.356 141 HB3 LYS 17 1HB LYS 17 -1.265 6.353 7.126 142 HG2 LYS 17 2HG LYS 17 -0.205 8.065 5.858 143 HG3 LYS 17 1HG LYS 17 -1.622 8.254 4.827 144 HD2 LYS 17 2HD LYS 17 -1.657 8.772 7.794 145 HD3 LYS 17 1HD LYS 17 -1.326 10.024 6.593 146 HE2 LYS 17 2HE LYS 17 -3.494 9.662 5.571 147 HE3 LYS 17 1HE LYS 17 -3.824 8.336 6.683 148 HZ1 LYS 17 3HZ LYS 17 -4.916 10.401 7.352 149 HZ2 LYS 17 1HZ LYS 17 -3.410 11.169 7.478 150 HZ3 LYS 17 2HZ LYS 17 -3.798 9.886 8.519 151 H VAL 18 HN VAL 18 -0.369 6.765 3.252 152 HA VAL 18 HA VAL 18 2.149 5.397 3.294 153 HB VAL 18 HB VAL 18 1.413 7.897 1.768 154 HG11 VAL 18 1HG1 VAL 18 3.589 5.862 1.307 155 HG12 VAL 18 2HG1 VAL 18 3.816 7.508 1.899 156 HG13 VAL 18 3HG1 VAL 18 3.222 7.232 0.260 157 HG21 VAL 18 3HG2 VAL 18 1.206 5.006 0.938 158 HG22 VAL 18 1HG2 VAL 18 0.931 6.397 -0.109 159 HG23 VAL 18 2HG2 VAL 18 -0.143 6.096 1.259 160 H ILE 19 HN ILE 19 3.140 5.765 5.218 161 HA ILE 19 HA ILE 19 3.625 8.261 6.415 162 HB ILE 19 HB ILE 19 5.489 5.887 6.478 163 HG12 ILE 19 2HG1 ILE 19 3.069 6.472 8.196 164 HG13 ILE 19 1HG1 ILE 19 3.243 5.145 7.055 165 HG21 ILE 19 1HG2 ILE 19 6.115 6.770 8.687 166 HG22 ILE 19 2HG2 ILE 19 5.045 8.147 8.424 167 HG23 ILE 19 3HG2 ILE 19 6.453 7.915 7.390 168 HD11 ILE 19 3HD1 ILE 19 3.535 4.384 9.338 169 HD12 ILE 19 1HD1 ILE 19 4.855 5.532 9.566 170 HD13 ILE 19 2HD1 ILE 19 5.031 4.202 8.420 171 H GLY 20 HN GLY 20 5.420 6.404 3.995 172 HA2 GLY 20 2HA GLY 20 6.432 8.741 2.765 173 HA3 GLY 20 1HA GLY 20 7.675 8.008 3.764 174 H ILE 21 HN ILE 21 8.047 8.297 1.135 175 HA ILE 21 HA ILE 21 7.696 5.610 -0.010 176 HB ILE 21 HB ILE 21 8.368 8.220 -1.395 177 HG12 ILE 21 2HG1 ILE 21 5.802 6.616 -1.333 178 HG13 ILE 21 1HG1 ILE 21 6.066 8.186 -0.584 179 HG21 ILE 21 1HG2 ILE 21 7.757 5.510 -2.585 180 HG22 ILE 21 2HG2 ILE 21 9.336 6.293 -2.557 181 HG23 ILE 21 3HG2 ILE 21 8.020 7.000 -3.492 182 HD11 ILE 21 3HD1 ILE 21 4.803 8.376 -2.650 183 HD12 ILE 21 1HD1 ILE 21 6.129 7.623 -3.537 184 HD13 ILE 21 2HD1 ILE 21 6.359 9.197 -2.774 185 H VAL 22 HN VAL 22 9.626 4.767 -1.199 186 HA VAL 22 HA VAL 22 12.082 5.447 0.251 187 HB VAL 22 HB VAL 22 11.516 3.039 -1.488 188 HG11 VAL 22 1HG1 VAL 22 13.886 3.569 -1.372 189 HG12 VAL 22 2HG1 VAL 22 13.535 2.098 -0.464 190 HG13 VAL 22 3HG1 VAL 22 13.804 3.619 0.388 191 HG21 VAL 22 3HG2 VAL 22 11.472 3.330 1.513 192 HG22 VAL 22 1HG2 VAL 22 11.391 1.795 0.646 193 HG23 VAL 22 2HG2 VAL 22 10.098 2.981 0.463 194 HA PRO 23 HA PRO 23 12.532 7.912 -3.539 195 HB2 PRO 23 2HB PRO 23 14.939 8.834 -2.066 196 HB3 PRO 23 1HB PRO 23 13.635 9.772 -2.805 197 HG2 PRO 23 2HG PRO 23 13.778 9.508 -0.168 198 HG3 PRO 23 1HG PRO 23 12.213 9.462 -1.004 199 HD2 PRO 23 2HD PRO 23 13.854 7.198 0.072 200 HD3 PRO 23 1HD PRO 23 12.097 7.450 0.147 201 H GLU 24 HN GLU 24 14.295 8.375 -5.055 202 HA GLU 24 HA GLU 24 15.774 7.642 -6.597 203 HB2 GLU 24 2HB GLU 24 17.249 7.639 -4.453 204 HB3 GLU 24 1HB GLU 24 17.105 5.889 -4.553 205 HG2 GLU 24 2HG GLU 24 18.068 5.934 -6.795 206 HG3 GLU 24 1HG GLU 24 18.202 7.689 -6.701 207 H SER 25 HN SER 25 13.379 6.039 -5.570 208 HA SER 25 HA SER 25 13.801 3.331 -6.261 209 HB2 SER 25 2HB SER 25 11.874 4.001 -4.920 210 HB3 SER 25 1HB SER 25 11.281 5.018 -6.224 211 HG SER 25 HG SER 25 11.022 2.322 -5.828 212 H LYS 26 HN LYS 26 13.152 2.243 -8.191 213 HA LYS 26 HA LYS 26 13.449 3.892 -10.568 214 HB2 LYS 26 2HB LYS 26 14.509 1.532 -10.107 215 HB3 LYS 26 1HB LYS 26 12.945 0.938 -10.646 216 HG2 LYS 26 2HG LYS 26 14.472 0.955 -12.500 217 HG3 LYS 26 1HG LYS 26 13.237 2.191 -12.758 218 HD2 LYS 26 2HD LYS 26 14.800 3.895 -11.896 219 HD3 LYS 26 1HD LYS 26 16.034 2.648 -11.717 220 HE2 LYS 26 2HE LYS 26 16.425 3.859 -13.759 221 HE3 LYS 26 1HE LYS 26 15.902 2.222 -14.150 222 HZ1 LYS 26 3HZ LYS 26 14.060 4.549 -14.094 223 HZ2 LYS 26 1HZ LYS 26 13.750 3.001 -14.716 224 HZ3 LYS 26 2HZ LYS 26 14.857 4.024 -15.497 225 H VAL 27 HN VAL 27 11.014 2.563 -8.629 226 HA VAL 27 HA VAL 27 9.030 2.886 -10.780 227 HB VAL 27 HB VAL 27 7.524 1.461 -9.442 228 HG11 VAL 27 1HG1 VAL 27 8.854 0.482 -11.222 229 HG12 VAL 27 2HG1 VAL 27 8.681 -0.657 -9.887 230 HG13 VAL 27 3HG1 VAL 27 10.193 0.224 -10.105 231 HG21 VAL 27 3HG2 VAL 27 8.461 0.137 -7.587 232 HG22 VAL 27 1HG2 VAL 27 8.415 1.863 -7.228 233 HG23 VAL 27 2HG2 VAL 27 9.940 1.095 -7.674 234 H ARG 28 HN ARG 28 10.270 4.533 -8.241 235 HA ARG 28 HA ARG 28 8.158 5.610 -6.831 236 HB2 ARG 28 2HB ARG 28 10.576 6.148 -6.495 237 HB3 ARG 28 1HB ARG 28 10.521 7.155 -7.933 238 HG2 ARG 28 2HG ARG 28 8.651 7.692 -5.662 239 HG3 ARG 28 1HG ARG 28 10.326 8.230 -5.578 240 HD2 ARG 28 2HD ARG 28 10.011 9.462 -7.691 241 HD3 ARG 28 1HD ARG 28 8.322 8.953 -7.716 242 HE ARG 28 HE ARG 28 8.733 10.183 -5.266 243 HH11 ARG 28 1HH1 ARG 28 8.815 11.087 -8.656 244 HH12 ARG 28 2HH1 ARG 28 8.434 12.758 -8.346 245 HH21 ARG 28 1HH2 ARG 28 8.205 12.352 -4.868 246 HH22 ARG 28 2HH2 ARG 28 8.090 13.483 -6.186 247 H ARG 29 HN ARG 29 9.295 6.436 -10.077 248 HA ARG 29 HA ARG 29 7.560 8.553 -10.623 249 HB2 ARG 29 2HB ARG 29 9.493 7.882 -12.020 250 HB3 ARG 29 1HB ARG 29 8.606 6.466 -12.549 251 HG2 ARG 29 2HG ARG 29 7.497 9.208 -12.998 252 HG3 ARG 29 1HG ARG 29 8.721 8.540 -14.076 253 HD2 ARG 29 2HD ARG 29 7.261 6.588 -14.470 254 HD3 ARG 29 1HD ARG 29 6.028 7.333 -13.456 255 HE ARG 29 HE ARG 29 6.675 9.181 -15.435 256 HH11 ARG 29 1HH1 ARG 29 5.287 5.979 -15.202 257 HH12 ARG 29 2HH1 ARG 29 4.325 6.135 -16.638 258 HH21 ARG 29 1HH2 ARG 29 5.427 9.404 -17.336 259 HH22 ARG 29 2HH2 ARG 29 4.403 8.100 -17.858 260 H LYS 30 HN LYS 30 7.097 5.077 -11.029 261 HA LYS 30 HA LYS 30 4.556 5.161 -12.248 262 HB2 LYS 30 2HB LYS 30 6.042 3.173 -12.189 263 HB3 LYS 30 1HB LYS 30 5.740 3.014 -10.469 264 HG2 LYS 30 2HG LYS 30 3.387 2.578 -10.901 265 HG3 LYS 30 1HG LYS 30 3.661 2.784 -12.633 266 HD2 LYS 30 2HD LYS 30 5.190 0.885 -12.635 267 HD3 LYS 30 1HD LYS 30 4.974 0.692 -10.894 268 HE2 LYS 30 2HE LYS 30 2.602 0.216 -11.243 269 HE3 LYS 30 1HE LYS 30 2.809 0.423 -12.980 270 HZ1 LYS 30 3HZ LYS 30 2.814 -1.919 -12.306 271 HZ2 LYS 30 1HZ LYS 30 4.177 -1.649 -11.335 272 HZ3 LYS 30 2HZ LYS 30 4.286 -1.474 -13.017 273 H ILE 31 HN ILE 31 5.558 4.814 -8.883 274 HA ILE 31 HA ILE 31 3.013 4.647 -7.698 275 HB ILE 31 HB ILE 31 5.591 5.745 -6.545 276 HG12 ILE 31 2HG1 ILE 31 4.407 2.967 -6.326 277 HG13 ILE 31 1HG1 ILE 31 5.694 3.412 -7.444 278 HG21 ILE 31 1HG2 ILE 31 4.622 5.214 -4.358 279 HG22 ILE 31 2HG2 ILE 31 3.112 4.757 -5.145 280 HG23 ILE 31 3HG2 ILE 31 3.674 6.426 -5.217 281 HD11 ILE 31 3HD1 ILE 31 5.832 3.512 -4.442 282 HD12 ILE 31 1HD1 ILE 31 7.120 4.000 -5.542 283 HD13 ILE 31 2HD1 ILE 31 6.595 2.316 -5.490 284 H MET 32 HN MET 32 5.121 7.446 -8.278 285 HA MET 32 HA MET 32 3.425 9.372 -7.100 286 HB2 MET 32 2HB MET 32 5.962 9.375 -8.149 287 HB3 MET 32 1HB MET 32 5.071 10.304 -9.346 288 HG2 MET 32 2HG MET 32 5.057 10.905 -6.403 289 HG3 MET 32 1HG MET 32 6.147 11.658 -7.564 290 HE1 MET 32 3HE MET 32 3.621 14.528 -6.694 291 HE2 MET 32 1HE MET 32 5.316 14.041 -6.729 292 HE3 MET 32 2HE MET 32 4.202 13.277 -5.596 293 H ASP 33 HN ASP 33 3.741 8.148 -10.388 294 HA ASP 33 HA ASP 33 1.935 9.919 -11.629 295 HB2 ASP 33 2HB ASP 33 3.438 8.599 -12.976 296 HB3 ASP 33 1HB ASP 33 2.759 7.101 -12.346 297 H MET 34 HN MET 34 1.477 6.793 -10.048 298 HA MET 34 HA MET 34 -1.284 6.578 -10.671 299 HB2 MET 34 2HB MET 34 0.521 5.220 -8.700 300 HB3 MET 34 1HB MET 34 -1.209 4.914 -8.686 301 HG2 MET 34 2HG MET 34 -1.085 4.224 -11.041 302 HG3 MET 34 1HG MET 34 0.658 4.481 -11.004 303 HE1 MET 34 3HE MET 34 -0.912 1.769 -11.862 304 HE2 MET 34 1HE MET 34 0.176 0.571 -11.160 305 HE3 MET 34 2HE MET 34 0.834 1.986 -11.982 306 H GLY 35 HN GLY 35 0.384 8.520 -8.460 307 HA2 GLY 35 2HA GLY 35 -0.685 10.365 -7.452 308 HA3 GLY 35 1HA GLY 35 -2.202 9.480 -7.495 309 H ILE 36 HN ILE 36 0.853 8.248 -6.252 310 HA ILE 36 HA ILE 36 -0.376 8.167 -3.576 311 HB ILE 36 HB ILE 36 1.948 6.525 -4.555 312 HG12 ILE 36 2HG1 ILE 36 -0.916 5.619 -4.226 313 HG13 ILE 36 1HG1 ILE 36 -0.210 6.072 -5.772 314 HG21 ILE 36 1HG2 ILE 36 0.208 6.285 -2.109 315 HG22 ILE 36 2HG2 ILE 36 1.892 6.807 -2.152 316 HG23 ILE 36 3HG2 ILE 36 1.471 5.148 -2.577 317 HD11 ILE 36 3HD1 ILE 36 -0.230 3.666 -5.491 318 HD12 ILE 36 1HD1 ILE 36 0.702 3.817 -4.002 319 HD13 ILE 36 2HD1 ILE 36 1.427 4.267 -5.545 320 H VAL 37 HN VAL 37 0.443 9.426 -2.092 321 HA VAL 37 HA VAL 37 3.270 10.112 -2.072 322 HB VAL 37 HB VAL 37 2.788 12.517 -1.600 323 HG11 VAL 37 1HG1 VAL 37 2.442 13.201 -3.917 324 HG12 VAL 37 2HG1 VAL 37 1.898 11.573 -4.322 325 HG13 VAL 37 3HG1 VAL 37 3.563 11.844 -3.808 326 HG21 VAL 37 3HG2 VAL 37 0.023 11.853 -2.599 327 HG22 VAL 37 1HG2 VAL 37 0.640 13.470 -2.256 328 HG23 VAL 37 2HG2 VAL 37 0.451 12.302 -0.949 329 H ARG 38 HN ARG 38 3.608 11.585 0.012 330 HA ARG 38 HA ARG 38 2.919 9.940 2.201 331 HB2 ARG 38 2HB ARG 38 4.979 11.302 2.111 332 HB3 ARG 38 1HB ARG 38 4.010 12.764 2.198 333 HG2 ARG 38 2HG ARG 38 3.797 10.721 4.368 334 HG3 ARG 38 1HG ARG 38 5.167 11.830 4.331 335 HD2 ARG 38 2HD ARG 38 3.665 13.731 4.384 336 HD3 ARG 38 1HD ARG 38 2.268 12.661 4.313 337 HE ARG 38 HE ARG 38 3.798 11.952 6.543 338 HH11 ARG 38 1HH1 ARG 38 1.839 14.613 5.391 339 HH12 ARG 38 2HH1 ARG 38 1.408 15.151 6.986 340 HH21 ARG 38 1HH2 ARG 38 3.196 12.616 8.640 341 HH22 ARG 38 2HH2 ARG 38 2.147 13.998 8.841 342 H GLY 39 HN GLY 39 1.236 9.961 3.533 343 HA2 GLY 39 2HA GLY 39 -0.404 11.045 4.869 344 HA3 GLY 39 1HA GLY 39 -0.413 12.386 3.736 345 H THR 40 HN THR 40 -0.471 10.157 1.570 346 HA THR 40 HA THR 40 -3.336 10.118 1.342 347 HB THR 40 HB THR 40 -1.368 8.640 -0.400 348 HG1 THR 40 1HG THR 40 -1.819 10.734 -1.703 349 HG21 THR 40 3HG2 THR 40 -3.707 8.030 -0.742 350 HG22 THR 40 1HG2 THR 40 -3.100 8.944 -2.125 351 HG23 THR 40 2HG2 THR 40 -4.133 9.730 -0.931 352 H GLU 41 HN GLU 41 -4.638 8.242 1.308 353 HA GLU 41 HA GLU 41 -3.572 6.075 2.949 354 HB2 GLU 41 2HB GLU 41 -6.421 6.936 2.428 355 HB3 GLU 41 1HB GLU 41 -5.928 5.626 3.480 356 HG2 GLU 41 2HG GLU 41 -4.730 7.231 4.901 357 HG3 GLU 41 1HG GLU 41 -5.291 8.536 3.857 358 H ILE 42 HN ILE 42 -3.958 3.959 2.433 359 HA ILE 42 HA ILE 42 -4.922 3.406 -0.293 360 HB ILE 42 HB ILE 42 -2.527 2.192 1.098 361 HG12 ILE 42 2HG1 ILE 42 -2.723 3.799 -1.458 362 HG13 ILE 42 1HG1 ILE 42 -2.123 4.405 0.082 363 HG21 ILE 42 1HG2 ILE 42 -2.237 0.819 -0.904 364 HG22 ILE 42 2HG2 ILE 42 -3.724 1.484 -1.581 365 HG23 ILE 42 3HG2 ILE 42 -3.785 0.490 -0.126 366 HD11 ILE 42 3HD1 ILE 42 -0.289 2.779 -0.013 367 HD12 ILE 42 1HD1 ILE 42 -0.293 3.864 -1.403 368 HD13 ILE 42 2HD1 ILE 42 -0.888 2.213 -1.572 369 H TYR 43 HN TYR 43 -6.582 2.012 -0.261 370 HA TYR 43 HA TYR 43 -7.118 0.526 2.178 371 HB2 TYR 43 2HB TYR 43 -8.992 1.680 1.101 372 HB3 TYR 43 1HB TYR 43 -8.736 0.747 -0.371 373 HD1 TYR 43 1HD TYR 43 -9.154 0.042 3.282 374 HD2 TYR 43 2HD TYR 43 -10.235 -0.981 -0.707 375 HE1 TYR 43 1HE TYR 43 -10.657 -1.696 4.142 376 HE2 TYR 43 2HE TYR 43 -11.744 -2.727 0.149 377 HH TYR 43 HH TYR 43 -12.068 -4.084 2.140 378 H ILE 44 HN ILE 44 -6.195 -1.362 2.455 379 HA ILE 44 HA ILE 44 -5.330 -3.000 0.239 380 HB ILE 44 HB ILE 44 -5.441 -3.835 3.138 381 HG12 ILE 44 2HG1 ILE 44 -4.246 -1.694 3.023 382 HG13 ILE 44 1HG1 ILE 44 -3.144 -3.013 3.393 383 HG21 ILE 44 1HG2 ILE 44 -5.013 -5.617 1.557 384 HG22 ILE 44 2HG2 ILE 44 -3.557 -5.277 2.492 385 HG23 ILE 44 3HG2 ILE 44 -3.696 -4.694 0.834 386 HD11 ILE 44 3HD1 ILE 44 -2.153 -1.466 1.824 387 HD12 ILE 44 1HD1 ILE 44 -3.502 -1.709 0.711 388 HD13 ILE 44 2HD1 ILE 44 -2.406 -3.042 1.072 389 H GLU 45 HN GLU 45 -6.927 -4.005 -0.882 390 HA GLU 45 HA GLU 45 -9.296 -4.965 0.487 391 HB2 GLU 45 2HB GLU 45 -9.006 -4.010 -1.978 392 HB3 GLU 45 1HB GLU 45 -8.670 -5.694 -2.342 393 HG2 GLU 45 2HG GLU 45 -11.162 -4.757 -0.946 394 HG3 GLU 45 1HG GLU 45 -11.033 -4.961 -2.689 395 H GLY 46 HN GLY 46 -6.679 -6.402 -1.456 396 HA2 GLY 46 2HA GLY 46 -6.112 -8.430 0.380 397 HA3 GLY 46 1HA GLY 46 -7.272 -9.069 -0.774 398 H LYS 47 HN LYS 47 -4.409 -9.693 -0.227 399 HA LYS 47 HA LYS 47 -3.177 -9.112 -2.798 400 HB2 LYS 47 2HB LYS 47 -2.185 -10.935 -0.583 401 HB3 LYS 47 1HB LYS 47 -1.257 -10.338 -1.951 402 HG2 LYS 47 2HG LYS 47 -1.390 -8.076 -1.099 403 HG3 LYS 47 1HG LYS 47 -2.405 -8.617 0.237 404 HD2 LYS 47 2HD LYS 47 -0.084 -8.311 0.950 405 HD3 LYS 47 1HD LYS 47 -0.572 -10.001 1.074 406 HE2 LYS 47 2HE LYS 47 0.576 -10.523 -0.986 407 HE3 LYS 47 1HE LYS 47 0.975 -8.824 -1.228 408 HZ1 LYS 47 3HZ LYS 47 1.889 -10.384 1.123 409 HZ2 LYS 47 1HZ LYS 47 2.420 -8.853 0.628 410 HZ3 LYS 47 2HZ LYS 47 2.799 -10.221 -0.299 411 H ALA 48 HN ALA 48 -2.754 -10.745 -4.360 412 HA ALA 48 HA ALA 48 -4.748 -12.664 -4.734 413 HB1 ALA 48 1HB ALA 48 -3.359 -11.766 -6.545 414 HB2 ALA 48 2HB ALA 48 -3.365 -13.530 -6.533 415 HB3 ALA 48 3HB ALA 48 -1.972 -12.650 -5.904 416 HA PRO 49 HA PRO 49 -3.639 -16.216 -2.306 417 HB2 PRO 49 2HB PRO 49 -3.904 -17.814 -4.803 418 HB3 PRO 49 1HB PRO 49 -4.701 -18.027 -3.240 419 HG2 PRO 49 2HG PRO 49 -6.044 -17.044 -5.310 420 HG3 PRO 49 1HG PRO 49 -6.290 -16.393 -3.678 421 HD2 PRO 49 2HD PRO 49 -4.725 -15.249 -5.959 422 HD3 PRO 49 1HD PRO 49 -5.761 -14.424 -4.774 423 H MET 50 HN MET 50 -1.996 -15.374 -5.192 424 HA MET 50 HA MET 50 0.227 -17.196 -4.726 425 HB2 MET 50 2HB MET 50 -0.636 -16.802 -7.014 426 HB3 MET 50 1HB MET 50 -0.213 -15.105 -6.867 427 HG2 MET 50 2HG MET 50 2.135 -15.677 -6.715 428 HG3 MET 50 1HG MET 50 1.737 -17.394 -6.784 429 HE1 MET 50 3HE MET 50 0.282 -17.740 -10.410 430 HE2 MET 50 1HE MET 50 -0.615 -17.441 -8.924 431 HE3 MET 50 2HE MET 50 0.716 -18.596 -8.929 432 H GLY 51 HN GLY 51 -0.780 -14.141 -3.771 433 HA2 GLY 51 2HA GLY 51 0.480 -12.865 -2.178 434 HA3 GLY 51 1HA GLY 51 1.955 -13.373 -2.989 435 H ASP 52 HN ASP 52 0.780 -12.891 -5.634 436 HA ASP 52 HA ASP 52 0.430 -10.010 -5.701 437 HB2 ASP 52 2HB ASP 52 2.145 -9.731 -7.356 438 HB3 ASP 52 1HB ASP 52 2.866 -10.484 -5.950 439 HA PRO 53 HA PRO 53 0.286 -8.559 -7.362 440 HB2 PRO 53 2HB PRO 53 -1.751 -7.156 -8.386 441 HB3 PRO 53 1HB PRO 53 -0.534 -7.902 -9.429 442 HG2 PRO 53 2HG PRO 53 -3.287 -8.864 -8.751 443 HG3 PRO 53 1HG PRO 53 -2.470 -8.836 -10.325 444 HD2 PRO 53 2HD PRO 53 -2.643 -11.061 -8.732 445 HD3 PRO 53 1HD PRO 53 -1.346 -10.786 -9.908 446 H ILE 54 HN ILE 54 -0.965 -6.617 -6.321 447 HA ILE 54 HA ILE 54 -2.675 -7.715 -4.178 448 HB ILE 54 HB ILE 54 -0.989 -5.210 -4.020 449 HG12 ILE 54 2HG1 ILE 54 -0.362 -7.968 -2.937 450 HG13 ILE 54 1HG1 ILE 54 0.428 -7.224 -4.323 451 HG21 ILE 54 1HG2 ILE 54 -2.370 -6.858 -1.903 452 HG22 ILE 54 2HG2 ILE 54 -2.886 -5.278 -2.492 453 HG23 ILE 54 3HG2 ILE 54 -1.367 -5.438 -1.610 454 HD11 ILE 54 3HD1 ILE 54 1.800 -7.072 -2.326 455 HD12 ILE 54 1HD1 ILE 54 0.510 -6.212 -1.490 456 HD13 ILE 54 2HD1 ILE 54 1.310 -5.469 -2.875 457 H ALA 55 HN ALA 55 -4.715 -7.005 -4.138 458 HA ALA 55 HA ALA 55 -5.583 -4.948 -5.960 459 HB1 ALA 55 1HB ALA 55 -6.933 -6.961 -5.571 460 HB2 ALA 55 2HB ALA 55 -7.824 -5.488 -5.186 461 HB3 ALA 55 3HB ALA 55 -7.155 -6.478 -3.889 462 H LEU 56 HN LEU 56 -5.214 -2.895 -5.454 463 HA LEU 56 HA LEU 56 -5.576 -2.037 -2.652 464 HB2 LEU 56 2HB LEU 56 -3.720 -0.841 -4.706 465 HB3 LEU 56 1HB LEU 56 -3.865 -0.359 -3.029 466 HG LEU 56 HG LEU 56 -2.847 -3.037 -3.977 467 HD11 LEU 56 1HD1 LEU 56 -0.663 -2.224 -3.250 468 HD12 LEU 56 2HD1 LEU 56 -1.369 -0.652 -2.872 469 HD13 LEU 56 3HD1 LEU 56 -1.323 -1.220 -4.542 470 HD21 LEU 56 3HD2 LEU 56 -3.924 -3.170 -1.808 471 HD22 LEU 56 1HD2 LEU 56 -2.983 -1.793 -1.233 472 HD23 LEU 56 2HD2 LEU 56 -2.174 -3.310 -1.628 473 H ARG 57 HN ARG 57 -6.778 -0.238 -2.291 474 HA ARG 57 HA ARG 57 -7.768 1.211 -4.656 475 HB2 ARG 57 2HB ARG 57 -9.572 0.192 -3.340 476 HB3 ARG 57 1HB ARG 57 -8.999 1.013 -1.903 477 HG2 ARG 57 2HG ARG 57 -9.461 3.180 -3.010 478 HG3 ARG 57 1HG ARG 57 -10.169 2.286 -4.358 479 HD2 ARG 57 2HD ARG 57 -11.792 1.278 -2.831 480 HD3 ARG 57 1HD ARG 57 -11.092 2.180 -1.491 481 HE ARG 57 HE ARG 57 -12.322 3.528 -3.803 482 HH11 ARG 57 1HH1 ARG 57 -11.955 3.114 -0.339 483 HH12 ARG 57 2HH1 ARG 57 -13.059 4.392 0.057 484 HH21 ARG 57 1HH2 ARG 57 -13.779 5.197 -3.286 485 HH22 ARG 57 2HH2 ARG 57 -14.094 5.585 -1.613 486 H LEU 58 HN LEU 58 -6.402 2.836 -4.962 487 HA LEU 58 HA LEU 58 -5.694 4.505 -2.660 488 HB2 LEU 58 2HB LEU 58 -3.397 4.732 -3.679 489 HB3 LEU 58 1HB LEU 58 -3.760 3.182 -2.949 490 HG LEU 58 HG LEU 58 -4.398 2.527 -5.428 491 HD11 LEU 58 1HD1 LEU 58 -2.908 3.595 -7.057 492 HD12 LEU 58 2HD1 LEU 58 -2.425 4.769 -5.831 493 HD13 LEU 58 3HD1 LEU 58 -4.094 4.724 -6.400 494 HD21 LEU 58 3HD2 LEU 58 -1.552 2.761 -4.461 495 HD22 LEU 58 1HD2 LEU 58 -2.136 1.680 -5.726 496 HD23 LEU 58 2HD2 LEU 58 -2.679 1.463 -4.063 497 H ARG 59 HN ARG 59 -5.253 6.669 -3.127 498 HA ARG 59 HA ARG 59 -5.399 8.670 -4.173 499 HB2 ARG 59 2HB ARG 59 -4.047 7.514 -5.970 500 HB3 ARG 59 1HB ARG 59 -5.556 7.175 -6.799 501 HG2 ARG 59 2HG ARG 59 -4.843 9.986 -6.079 502 HG3 ARG 59 1HG ARG 59 -4.132 9.222 -7.499 503 HD2 ARG 59 2HD ARG 59 -6.307 8.837 -8.446 504 HD3 ARG 59 1HD ARG 59 -7.092 9.400 -6.972 505 HE ARG 59 HE ARG 59 -5.404 11.409 -8.071 506 HH11 ARG 59 1HH1 ARG 59 -8.496 9.836 -8.508 507 HH12 ARG 59 2HH1 ARG 59 -9.265 11.224 -9.205 508 HH21 ARG 59 1HH2 ARG 59 -6.392 13.248 -9.018 509 HH22 ARG 59 2HH2 ARG 59 -8.059 13.161 -9.525 510 H GLY 60 HN GLY 60 -7.650 6.208 -5.347 511 HA2 GLY 60 2HA GLY 60 -9.940 7.470 -4.458 512 HA3 GLY 60 1HA GLY 60 -9.699 8.041 -6.101 513 H TYR 61 HN TYR 61 -8.436 5.423 -6.827 514 HA TYR 61 HA TYR 61 -10.906 3.830 -6.938 515 HB2 TYR 61 2HB TYR 61 -10.227 3.140 -9.241 516 HB3 TYR 61 1HB TYR 61 -10.654 4.836 -9.098 517 HD1 TYR 61 2HD TYR 61 -8.892 6.570 -9.227 518 HD2 TYR 61 1HD TYR 61 -7.999 2.451 -9.810 519 HE1 TYR 61 2HE TYR 61 -6.736 7.185 -10.233 520 HE2 TYR 61 1HE TYR 61 -5.838 3.055 -10.822 521 HH TYR 61 HH TYR 61 -4.501 6.148 -10.592 522 H SER 62 HN SER 62 -10.468 1.557 -7.647 523 HA SER 62 HA SER 62 -8.171 0.522 -6.165 524 HB2 SER 62 2HB SER 62 -10.349 -0.345 -5.497 525 HB3 SER 62 1HB SER 62 -10.677 -0.858 -7.147 526 HG SER 62 HG SER 62 -8.946 -1.954 -5.235 527 H LEU 63 HN LEU 63 -6.783 -0.953 -7.017 528 HA LEU 63 HA LEU 63 -6.950 -1.968 -9.668 529 HB2 LEU 63 2HB LEU 63 -5.092 -0.828 -10.677 530 HB3 LEU 63 1HB LEU 63 -6.280 0.358 -10.184 531 HG LEU 63 HG LEU 63 -3.790 -0.250 -8.586 532 HD11 LEU 63 1HD1 LEU 63 -2.825 1.752 -9.565 533 HD12 LEU 63 2HD1 LEU 63 -4.250 1.964 -10.582 534 HD13 LEU 63 3HD1 LEU 63 -3.196 0.569 -10.820 535 HD21 LEU 63 3HD2 LEU 63 -5.554 0.806 -7.295 536 HD22 LEU 63 1HD2 LEU 63 -5.731 2.060 -8.524 537 HD23 LEU 63 2HD2 LEU 63 -4.242 1.949 -7.585 538 H SER 64 HN SER 64 -4.979 -3.266 -10.192 539 HA SER 64 HA SER 64 -3.998 -4.444 -7.713 540 HB2 SER 64 2HB SER 64 -3.249 -6.196 -9.606 541 HB3 SER 64 1HB SER 64 -4.850 -6.202 -8.871 542 HG SER 64 HG SER 64 -5.708 -5.343 -10.647 543 H LEU 65 HN LEU 65 -2.058 -3.918 -7.030 544 HA LEU 65 HA LEU 65 -0.055 -2.926 -8.928 545 HB2 LEU 65 2HB LEU 65 -0.495 -2.619 -6.000 546 HB3 LEU 65 1HB LEU 65 1.154 -2.553 -6.585 547 HG LEU 65 HG LEU 65 0.274 -0.316 -6.372 548 HD11 LEU 65 1HD1 LEU 65 0.486 -1.154 -9.258 549 HD12 LEU 65 2HD1 LEU 65 1.827 -0.731 -8.194 550 HD13 LEU 65 3HD1 LEU 65 0.643 0.494 -8.650 551 HD21 LEU 65 3HD2 LEU 65 -2.105 -0.835 -6.584 552 HD22 LEU 65 1HD2 LEU 65 -1.878 -1.176 -8.300 553 HD23 LEU 65 2HD2 LEU 65 -1.626 0.457 -7.685 554 H ARG 66 HN ARG 66 2.178 -3.627 -8.682 555 HA ARG 66 HA ARG 66 2.309 -6.500 -8.506 556 HB2 ARG 66 2HB ARG 66 4.393 -4.448 -9.170 557 HB3 ARG 66 1HB ARG 66 4.664 -6.188 -9.194 558 HG2 ARG 66 2HG ARG 66 2.646 -6.253 -10.781 559 HG3 ARG 66 1HG ARG 66 2.950 -4.524 -10.976 560 HD2 ARG 66 2HD ARG 66 4.823 -6.799 -11.550 561 HD3 ARG 66 1HD ARG 66 4.106 -5.664 -12.680 562 HE ARG 66 HE ARG 66 5.508 -4.093 -10.929 563 HH11 ARG 66 1HH1 ARG 66 6.284 -6.712 -13.132 564 HH12 ARG 66 2HH1 ARG 66 7.957 -6.251 -13.283 565 HH21 ARG 66 1HH2 ARG 66 7.689 -3.512 -11.086 566 HH22 ARG 66 2HH2 ARG 66 8.757 -4.410 -12.135 567 H LYS 67 HN LYS 67 3.774 -7.668 -7.194 568 HA LYS 67 HA LYS 67 4.121 -7.006 -4.537 569 HB2 LYS 67 2HB LYS 67 4.416 -9.264 -5.393 570 HB3 LYS 67 1HB LYS 67 5.825 -8.762 -6.313 571 HG2 LYS 67 2HG LYS 67 6.879 -8.167 -4.077 572 HG3 LYS 67 1HG LYS 67 5.546 -9.064 -3.342 573 HD2 LYS 67 2HD LYS 67 7.538 -10.142 -5.340 574 HD3 LYS 67 1HD LYS 67 7.504 -10.493 -3.611 575 HE2 LYS 67 2HE LYS 67 5.349 -11.578 -3.846 576 HE3 LYS 67 1HE LYS 67 5.294 -11.154 -5.556 577 HZ1 LYS 67 3HZ LYS 67 7.137 -12.582 -5.992 578 HZ2 LYS 67 1HZ LYS 67 5.987 -13.471 -5.113 579 HZ3 LYS 67 2HZ LYS 67 7.383 -12.884 -4.342 580 H SER 68 HN SER 68 6.325 -6.496 -7.246 581 HA SER 68 HA SER 68 8.581 -5.698 -5.849 582 HB2 SER 68 2HB SER 68 7.787 -4.647 -8.563 583 HB3 SER 68 1HB SER 68 9.413 -4.950 -7.948 584 HG SER 68 HG SER 68 8.850 -7.201 -7.868 585 H GLU 69 HN GLU 69 5.998 -3.669 -7.234 586 HA GLU 69 HA GLU 69 7.251 -1.221 -6.467 587 HB2 GLU 69 2HB GLU 69 4.523 -1.916 -7.521 588 HB3 GLU 69 1HB GLU 69 4.887 -0.288 -6.980 589 HG2 GLU 69 2HG GLU 69 5.237 -0.194 -9.261 590 HG3 GLU 69 1HG GLU 69 6.860 -0.391 -8.606 591 H ALA 70 HN ALA 70 4.987 -3.379 -4.952 592 HA ALA 70 HA ALA 70 3.797 -1.483 -3.216 593 HB1 ALA 70 1HB ALA 70 3.927 -4.483 -2.933 594 HB2 ALA 70 2HB ALA 70 2.710 -3.585 -3.840 595 HB3 ALA 70 3HB ALA 70 2.818 -3.399 -2.091 596 H LYS 71 HN LYS 71 6.809 -3.214 -3.024 597 HA LYS 71 HA LYS 71 6.927 -2.876 -0.136 598 HB2 LYS 71 2HB LYS 71 7.969 -4.811 -1.631 599 HB3 LYS 71 1HB LYS 71 9.334 -3.701 -1.683 600 HG2 LYS 71 2HG LYS 71 9.145 -3.617 0.855 601 HG3 LYS 71 1HG LYS 71 8.094 -5.021 0.706 602 HD2 LYS 71 2HD LYS 71 9.935 -6.136 -0.576 603 HD3 LYS 71 1HD LYS 71 10.972 -4.779 -0.141 604 HE2 LYS 71 2HE LYS 71 9.629 -6.722 1.740 605 HE3 LYS 71 1HE LYS 71 11.353 -6.595 1.400 606 HZ1 LYS 71 3HZ LYS 71 10.931 -5.534 3.465 607 HZ2 LYS 71 1HZ LYS 71 9.653 -4.622 2.830 608 HZ3 LYS 71 2HZ LYS 71 11.251 -4.306 2.345 609 H ASP 72 HN ASP 72 7.591 -1.035 -2.852 610 HA ASP 72 HA ASP 72 9.803 0.473 -1.768 611 HB2 ASP 72 2HB ASP 72 8.139 0.628 -4.253 612 HB3 ASP 72 1HB ASP 72 9.090 2.027 -3.777 613 H ILE 73 HN ILE 73 6.684 0.330 -0.919 614 HA ILE 73 HA ILE 73 6.523 3.189 -0.211 615 HB ILE 73 HB ILE 73 4.210 1.263 -0.570 616 HG12 ILE 73 2HG1 ILE 73 5.091 3.541 -2.359 617 HG13 ILE 73 1HG1 ILE 73 5.338 1.834 -2.709 618 HG21 ILE 73 1HG2 ILE 73 2.819 3.287 -0.407 619 HG22 ILE 73 2HG2 ILE 73 4.266 4.242 -0.082 620 HG23 ILE 73 3HG2 ILE 73 3.752 3.004 1.063 621 HD11 ILE 73 3HD1 ILE 73 2.676 3.206 -2.413 622 HD12 ILE 73 1HD1 ILE 73 2.923 1.498 -2.775 623 HD13 ILE 73 2HD1 ILE 73 3.439 2.728 -3.929 624 H LEU 74 HN LEU 74 6.587 3.613 1.929 625 HA LEU 74 HA LEU 74 6.272 1.366 3.794 626 HB2 LEU 74 2HB LEU 74 7.563 4.071 4.176 627 HB3 LEU 74 1HB LEU 74 7.464 2.821 5.397 628 HG LEU 74 HG LEU 74 8.980 2.614 2.796 629 HD11 LEU 74 1HD1 LEU 74 10.046 4.143 4.352 630 HD12 LEU 74 2HD1 LEU 74 10.970 2.647 4.224 631 HD13 LEU 74 3HD1 LEU 74 9.949 2.934 5.633 632 HD21 LEU 74 3HD2 LEU 74 9.854 0.522 3.701 633 HD22 LEU 74 1HD2 LEU 74 8.100 0.454 3.522 634 HD23 LEU 74 2HD2 LEU 74 8.815 0.694 5.116 635 H VAL 75 HN VAL 75 4.500 1.286 5.053 636 HA VAL 75 HA VAL 75 2.900 3.748 5.337 637 HB VAL 75 HB VAL 75 0.839 2.414 4.973 638 HG11 VAL 75 1HG1 VAL 75 1.025 2.277 2.543 639 HG12 VAL 75 2HG1 VAL 75 2.782 2.383 2.668 640 HG13 VAL 75 3HG1 VAL 75 1.779 3.747 3.162 641 HG21 VAL 75 3HG2 VAL 75 2.764 0.262 4.090 642 HG22 VAL 75 1HG2 VAL 75 1.013 0.220 3.889 643 HG23 VAL 75 2HG2 VAL 75 1.715 0.207 5.506 644 H GLU 76 HN GLU 76 1.238 3.641 6.969 645 HA GLU 76 HA GLU 76 1.870 1.844 9.221 646 HB2 GLU 76 2HB GLU 76 2.167 4.089 9.946 647 HB3 GLU 76 1HB GLU 76 0.728 4.627 9.101 648 HG2 GLU 76 2HG GLU 76 0.179 4.664 11.377 649 HG3 GLU 76 1HG GLU 76 -0.611 3.238 10.716 650 H VAL 77 HN VAL 77 0.284 0.560 10.013 651 HA VAL 77 HA VAL 77 -2.155 0.325 8.470 652 HB VAL 77 HB VAL 77 -1.302 -1.266 10.900 653 HG11 VAL 77 1HG1 VAL 77 -3.693 -1.385 10.503 654 HG12 VAL 77 2HG1 VAL 77 -2.930 -2.921 10.089 655 HG13 VAL 77 3HG1 VAL 77 -3.412 -1.803 8.813 656 HG21 VAL 77 3HG2 VAL 77 0.326 -1.529 9.121 657 HG22 VAL 77 1HG2 VAL 77 -0.959 -1.884 7.966 658 HG23 VAL 77 2HG2 VAL 77 -0.627 -3.002 9.289 659 H LEU 78 HN LEU 78 -3.671 1.797 8.893 660 HA LEU 78 HA LEU 78 -3.849 3.095 11.433 661 HB2 LEU 78 2HB LEU 78 -5.722 3.228 9.075 662 HB3 LEU 78 1HB LEU 78 -5.726 4.321 10.447 663 HG LEU 78 HG LEU 78 -3.483 4.040 8.445 664 HD11 LEU 78 1HD1 LEU 78 -5.521 6.220 8.847 665 HD12 LEU 78 2HD1 LEU 78 -5.444 5.101 7.486 666 HD13 LEU 78 3HD1 LEU 78 -4.155 6.278 7.732 667 HD21 LEU 78 3HD2 LEU 78 -2.664 4.629 10.668 668 HD22 LEU 78 1HD2 LEU 78 -3.832 5.949 10.757 669 HD23 LEU 78 2HD2 LEU 78 -2.535 5.998 9.563 670 H LEU 79 HN LEU 79 -5.353 0.410 9.967 671 HA LEU 79 HA LEU 79 -7.502 0.361 11.883 672 HB2 LEU 79 2HB LEU 79 -6.880 -1.394 9.525 673 HB3 LEU 79 1HB LEU 79 -8.190 -1.716 10.639 674 HG LEU 79 HG LEU 79 -7.914 0.651 8.796 675 HD11 LEU 79 1HD1 LEU 79 -9.997 -0.227 7.850 676 HD12 LEU 79 2HD1 LEU 79 -9.919 -1.593 8.964 677 HD13 LEU 79 3HD1 LEU 79 -8.676 -1.389 7.729 678 HD21 LEU 79 3HD2 LEU 79 -10.003 0.103 10.903 679 HD22 LEU 79 1HD2 LEU 79 -10.085 1.379 9.688 680 HD23 LEU 79 2HD2 LEU 79 -8.820 1.410 10.917 681 H GLU 80 HN GLU 80 -6.194 0.035 13.749 682 HA GLU 80 HA GLU 80 -5.000 -2.620 14.009 683 HB2 GLU 80 2HB GLU 80 -4.271 -1.833 16.240 684 HB3 GLU 80 1HB GLU 80 -3.712 -0.785 14.944 685 HG2 GLU 80 2HG GLU 80 -5.606 0.748 15.453 686 HG3 GLU 80 1HG GLU 80 -5.990 -0.268 16.844 687 H HIS 81 HN HIS 81 -7.930 -1.689 13.840 688 HA HIS 81 HA HIS 81 -9.935 -2.511 14.462 689 HB2 HIS 81 2HB HIS 81 -8.323 -4.477 16.101 690 HB3 HIS 81 1HB HIS 81 -10.060 -4.573 15.838 691 HD1 HIS 81 1HD HIS 81 -10.869 -5.415 13.535 692 HD2 HIS 81 2HD HIS 81 -6.730 -5.174 13.891 693 HE1 HIS 81 1HE HIS 81 -9.939 -6.640 11.546 694 HE2 HIS 81 2HE HIS 81 -7.447 -6.291 11.674 695 H HIS 82 HN HIS 82 -11.470 -2.526 16.234 696 HA HIS 82 HA HIS 82 -10.799 -0.496 18.169 697 HB2 HIS 82 2HB HIS 82 -13.043 -0.762 16.960 698 HB3 HIS 82 1HB HIS 82 -13.367 -2.086 18.071 699 HD1 HIS 82 1HD HIS 82 -13.576 1.544 17.748 700 HD2 HIS 82 2HD HIS 82 -13.480 -1.220 20.858 701 HE1 HIS 82 1HE HIS 82 -14.396 2.777 19.786 702 HE2 HIS 82 2HE HIS 82 -14.197 1.122 21.680 703 H HIS 83 HN HIS 83 -11.307 -3.960 18.146 704 HA HIS 83 HA HIS 83 -10.341 -4.063 20.929 705 HB2 HIS 83 2HB HIS 83 -12.489 -5.709 19.605 706 HB3 HIS 83 1HB HIS 83 -11.605 -6.321 20.997 707 HD1 HIS 83 1HD HIS 83 -13.052 -6.108 22.979 708 HD2 HIS 83 2HD HIS 83 -13.395 -2.820 20.456 709 HE1 HIS 83 1HE HIS 83 -14.638 -4.528 24.126 710 HE2 HIS 83 2HE HIS 83 -14.957 -2.623 22.509 711 H HIS 84 HN HIS 84 -8.799 -5.667 21.383 712 HA HIS 84 HA HIS 84 -7.314 -6.547 19.093 713 HB2 HIS 84 2HB HIS 84 -5.852 -7.724 20.827 714 HB3 HIS 84 1HB HIS 84 -5.917 -5.972 20.881 715 HD1 HIS 84 1HD HIS 84 -6.072 -5.086 23.166 716 HD2 HIS 84 2HD HIS 84 -7.804 -8.858 22.870 717 HE1 HIS 84 1HE HIS 84 -6.783 -5.691 25.498 718 HE2 HIS 84 2HE HIS 84 -7.587 -8.072 25.326 719 H HIS 85 HN HIS 85 -8.358 -7.960 17.893 720 HA HIS 85 HA HIS 85 -9.719 -10.224 19.133 721 HB2 HIS 85 2HB HIS 85 -10.847 -8.808 17.391 722 HB3 HIS 85 1HB HIS 85 -9.670 -9.393 16.222 723 HD1 HIS 85 1HD HIS 85 -10.144 -11.610 15.120 724 HD2 HIS 85 2HD HIS 85 -12.642 -10.836 18.356 725 HE1 HIS 85 1HE HIS 85 -11.925 -13.394 15.055 726 HE2 HIS 85 2HE HIS 85 -13.310 -13.005 17.130 727 H HIS 86 HN HIS 86 -9.178 -12.344 18.762 728 HA HIS 86 HA HIS 86 -6.515 -12.851 17.726 729 HB2 HIS 86 2HB HIS 86 -7.334 -13.931 19.827 730 HB3 HIS 86 1HB HIS 86 -8.539 -14.793 18.879 731 HD1 HIS 86 1HD HIS 86 -5.120 -14.989 20.076 732 HD2 HIS 86 2HD HIS 86 -7.332 -16.700 17.000 733 HE1 HIS 86 1HE HIS 86 -3.792 -16.988 19.315 734 HE2 HIS 86 2HE HIS 86 -5.043 -17.870 17.311 Start of MODEL 16 1 H1 MET 1 H1 MET 1 3.575 1.138 20.089 2 H2 MET 1 H2 MET 1 5.237 0.849 19.922 3 H3 MET 1 H3 MET 1 4.337 -0.030 21.051 4 HA MET 1 HA MET 1 4.850 -1.337 19.076 5 HB2 MET 1 2HB MET 1 2.615 -2.183 18.667 6 HB3 MET 1 1HB MET 1 2.791 -1.792 20.370 7 HG2 MET 1 2HG MET 1 1.462 0.008 18.358 8 HG3 MET 1 1HG MET 1 0.606 -1.153 19.370 9 HE1 MET 1 2HE MET 1 -0.329 2.335 20.923 10 HE2 MET 1 3HE MET 1 -0.963 0.834 20.247 11 HE3 MET 1 1HE MET 1 -0.073 1.960 19.220 12 H THR 2 HN THR 2 5.008 1.595 18.301 13 HA THR 2 HA THR 2 3.547 1.663 15.789 14 HB THR 2 HB THR 2 5.448 3.714 16.938 15 HG1 THR 2 1HG THR 2 2.637 3.993 16.950 16 HG21 THR 2 3HG2 THR 2 4.291 5.260 15.412 17 HG22 THR 2 1HG2 THR 2 3.357 3.911 14.766 18 HG23 THR 2 2HG2 THR 2 5.106 3.963 14.536 19 H LYS 3 HN LYS 3 4.420 0.454 14.223 20 HA LYS 3 HA LYS 3 7.177 1.035 13.458 21 HB2 LYS 3 2HB LYS 3 7.506 -1.408 12.919 22 HB3 LYS 3 1HB LYS 3 7.451 -1.018 14.629 23 HG2 LYS 3 2HG LYS 3 6.142 -2.882 14.591 24 HG3 LYS 3 1HG LYS 3 4.914 -1.636 14.373 25 HD2 LYS 3 2HD LYS 3 4.509 -3.428 12.816 26 HD3 LYS 3 1HD LYS 3 5.042 -2.001 11.925 27 HE2 LYS 3 2HE LYS 3 6.140 -3.971 11.047 28 HE3 LYS 3 1HE LYS 3 7.321 -2.931 11.843 29 HZ1 LYS 3 3HZ LYS 3 7.651 -5.264 12.397 30 HZ2 LYS 3 1HZ LYS 3 6.082 -5.359 13.040 31 HZ3 LYS 3 2HZ LYS 3 7.245 -4.370 13.773 32 H GLY 4 HN GLY 4 7.598 0.861 11.240 33 HA2 GLY 4 2HA GLY 4 5.133 0.894 9.622 34 HA3 GLY 4 1HA GLY 4 6.622 1.740 9.220 35 H ILE 5 HN ILE 5 4.992 -0.217 7.701 36 HA ILE 5 HA ILE 5 7.180 -2.072 7.062 37 HB ILE 5 HB ILE 5 5.450 -3.815 6.508 38 HG12 ILE 5 2HG1 ILE 5 3.665 -2.032 8.185 39 HG13 ILE 5 1HG1 ILE 5 3.500 -2.309 6.455 40 HG21 ILE 5 1HG2 ILE 5 5.185 -4.575 8.838 41 HG22 ILE 5 2HG2 ILE 5 5.744 -2.995 9.389 42 HG23 ILE 5 3HG2 ILE 5 6.824 -4.040 8.469 43 HD11 ILE 5 3HD1 ILE 5 3.021 -4.659 6.868 44 HD12 ILE 5 1HD1 ILE 5 1.896 -3.612 7.734 45 HD13 ILE 5 2HD1 ILE 5 3.214 -4.398 8.602 46 H GLY 6 HN GLY 6 6.684 -3.164 4.879 47 HA2 GLY 6 2HA GLY 6 6.037 -1.078 2.975 48 HA3 GLY 6 1HA GLY 6 6.578 -2.713 2.602 49 H LEU 7 HN LEU 7 4.470 -1.344 1.295 50 HA LEU 7 HA LEU 7 1.903 -1.912 2.161 51 HB2 LEU 7 2HB LEU 7 2.746 -0.571 0.130 52 HB3 LEU 7 1HB LEU 7 2.759 -2.100 -0.719 53 HG LEU 7 HG LEU 7 0.747 -0.667 -1.124 54 HD11 LEU 7 1HD1 LEU 7 0.693 -3.061 -1.571 55 HD12 LEU 7 2HD1 LEU 7 -0.867 -2.480 -0.992 56 HD13 LEU 7 3HD1 LEU 7 0.202 -3.367 0.095 57 HD21 LEU 7 3HD2 LEU 7 -0.985 -0.606 0.600 58 HD22 LEU 7 1HD2 LEU 7 0.482 0.230 1.109 59 HD23 LEU 7 2HD2 LEU 7 0.123 -1.380 1.734 60 H ASN 8 HN ASN 8 4.258 -4.004 0.624 61 HA ASN 8 HA ASN 8 2.431 -6.084 -0.063 62 HB2 ASN 8 2HB ASN 8 4.366 -7.364 -0.679 63 HB3 ASN 8 1HB ASN 8 4.655 -5.696 -1.158 64 HD21 ASN 8 1HD2 ASN 8 6.197 -4.467 -0.028 65 HD22 ASN 8 2HD2 ASN 8 7.377 -5.216 0.992 66 H GLU 9 HN GLU 9 3.659 -5.118 2.918 67 HA GLU 9 HA GLU 9 3.762 -7.823 4.022 68 HB2 GLU 9 2HB GLU 9 4.543 -5.185 5.269 69 HB3 GLU 9 1HB GLU 9 4.840 -6.776 5.932 70 HG2 GLU 9 2HG GLU 9 6.267 -7.287 4.000 71 HG3 GLU 9 1HG GLU 9 6.016 -5.645 3.414 72 H VAL 10 HN VAL 10 1.543 -5.413 3.596 73 HA VAL 10 HA VAL 10 0.328 -5.395 6.200 74 HB VAL 10 HB VAL 10 -0.905 -4.455 3.606 75 HG11 VAL 10 1HG1 VAL 10 -1.371 -3.620 6.467 76 HG12 VAL 10 2HG1 VAL 10 -2.466 -4.568 5.459 77 HG13 VAL 10 3HG1 VAL 10 -2.124 -2.887 5.049 78 HG21 VAL 10 3HG2 VAL 10 0.024 -2.241 4.112 79 HG22 VAL 10 1HG2 VAL 10 1.287 -3.440 3.822 80 HG23 VAL 10 2HG2 VAL 10 0.911 -2.934 5.471 81 H GLU 11 HN GLU 11 -1.973 -6.044 6.507 82 HA GLU 11 HA GLU 11 -2.419 -8.676 5.315 83 HB2 GLU 11 2HB GLU 11 -2.377 -8.209 7.851 84 HB3 GLU 11 1HB GLU 11 -3.960 -7.492 7.617 85 HG2 GLU 11 2HG GLU 11 -4.847 -9.579 6.842 86 HG3 GLU 11 1HG GLU 11 -3.245 -10.315 6.869 87 H ILE 12 HN ILE 12 -4.883 -9.182 5.113 88 HA ILE 12 HA ILE 12 -5.756 -7.395 3.038 89 HB ILE 12 HB ILE 12 -7.576 -8.989 2.652 90 HG12 ILE 12 2HG1 ILE 12 -6.408 -10.566 4.958 91 HG13 ILE 12 1HG1 ILE 12 -7.897 -9.630 5.050 92 HG21 ILE 12 1HG2 ILE 12 -4.876 -10.290 2.999 93 HG22 ILE 12 2HG2 ILE 12 -5.410 -9.353 1.604 94 HG23 ILE 12 3HG2 ILE 12 -6.185 -10.891 1.981 95 HD11 ILE 12 3HD1 ILE 12 -8.898 -11.057 3.345 96 HD12 ILE 12 1HD1 ILE 12 -8.344 -11.996 4.731 97 HD13 ILE 12 2HD1 ILE 12 -7.401 -11.985 3.240 98 H LYS 13 HN LYS 13 -7.608 -6.212 2.927 99 HA LYS 13 HA LYS 13 -9.318 -4.910 3.568 100 HB2 LYS 13 2HB LYS 13 -9.778 -7.184 5.495 101 HB3 LYS 13 1HB LYS 13 -10.891 -5.831 5.301 102 HG2 LYS 13 2HG LYS 13 -11.120 -6.393 2.917 103 HG3 LYS 13 1HG LYS 13 -10.063 -7.783 3.164 104 HD2 LYS 13 2HD LYS 13 -12.710 -7.331 4.537 105 HD3 LYS 13 1HD LYS 13 -12.439 -8.404 3.163 106 HE2 LYS 13 2HE LYS 13 -10.746 -9.609 4.596 107 HE3 LYS 13 1HE LYS 13 -11.341 -8.653 5.953 108 HZ1 LYS 13 3HZ LYS 13 -12.891 -10.573 4.307 109 HZ2 LYS 13 1HZ LYS 13 -13.581 -9.552 5.471 110 HZ3 LYS 13 2HZ LYS 13 -12.465 -10.742 5.940 111 H SER 14 HN SER 14 -6.665 -4.648 4.844 112 HA SER 14 HA SER 14 -7.463 -3.236 7.289 113 HB2 SER 14 2HB SER 14 -4.653 -3.845 6.350 114 HB3 SER 14 1HB SER 14 -5.157 -3.316 7.956 115 HG SER 14 HG SER 14 -6.295 -5.664 6.948 116 H LYS 15 HN LYS 15 -6.845 -1.053 7.559 117 HA LYS 15 HA LYS 15 -6.490 0.347 5.000 118 HB2 LYS 15 2HB LYS 15 -8.553 0.688 6.537 119 HB3 LYS 15 1HB LYS 15 -7.463 1.634 7.536 120 HG2 LYS 15 2HG LYS 15 -7.039 3.142 5.677 121 HG3 LYS 15 1HG LYS 15 -8.089 2.175 4.638 122 HD2 LYS 15 2HD LYS 15 -9.903 2.594 6.399 123 HD3 LYS 15 1HD LYS 15 -8.833 3.848 7.022 124 HE2 LYS 15 2HE LYS 15 -9.933 3.688 4.218 125 HE3 LYS 15 1HE LYS 15 -10.509 4.759 5.493 126 HZ1 LYS 15 3HZ LYS 15 -9.046 5.916 3.989 127 HZ2 LYS 15 1HZ LYS 15 -7.807 4.803 4.274 128 HZ3 LYS 15 2HZ LYS 15 -8.332 5.825 5.521 129 H VAL 16 HN VAL 16 -4.676 1.445 4.653 130 HA VAL 16 HA VAL 16 -2.991 2.154 6.960 131 HB VAL 16 HB VAL 16 -0.973 1.534 5.624 132 HG11 VAL 16 1HG1 VAL 16 -1.779 0.092 7.402 133 HG12 VAL 16 2HG1 VAL 16 -1.133 -0.870 6.072 134 HG13 VAL 16 3HG1 VAL 16 -2.878 -0.709 6.279 135 HG21 VAL 16 3HG2 VAL 16 -1.955 1.515 3.402 136 HG22 VAL 16 1HG2 VAL 16 -2.992 0.161 3.850 137 HG23 VAL 16 2HG2 VAL 16 -1.244 -0.056 3.771 138 H LYS 17 HN LYS 17 -1.297 3.707 6.435 139 HA LYS 17 HA LYS 17 -2.137 5.573 4.313 140 HB2 LYS 17 2HB LYS 17 -2.749 6.406 6.506 141 HB3 LYS 17 1HB LYS 17 -1.121 6.166 7.090 142 HG2 LYS 17 2HG LYS 17 -1.410 7.943 4.761 143 HG3 LYS 17 1HG LYS 17 -2.095 8.526 6.279 144 HD2 LYS 17 2HD LYS 17 0.110 8.030 7.363 145 HD3 LYS 17 1HD LYS 17 0.757 7.689 5.756 146 HE2 LYS 17 2HE LYS 17 1.291 9.960 6.409 147 HE3 LYS 17 1HE LYS 17 0.161 9.964 5.054 148 HZ1 LYS 17 3HZ LYS 17 -0.527 10.404 7.912 149 HZ2 LYS 17 1HZ LYS 17 -1.647 10.349 6.638 150 HZ3 LYS 17 2HZ LYS 17 -0.491 11.585 6.693 151 H VAL 18 HN VAL 18 -0.523 6.641 3.210 152 HA VAL 18 HA VAL 18 1.930 5.183 3.004 153 HB VAL 18 HB VAL 18 1.143 7.773 1.654 154 HG11 VAL 18 1HG1 VAL 18 3.567 7.471 1.691 155 HG12 VAL 18 2HG1 VAL 18 2.933 7.260 0.059 156 HG13 VAL 18 3HG1 VAL 18 3.383 5.850 1.020 157 HG21 VAL 18 3HG2 VAL 18 -0.349 5.943 1.076 158 HG22 VAL 18 1HG2 VAL 18 1.035 4.922 0.676 159 HG23 VAL 18 2HG2 VAL 18 0.686 6.355 -0.293 160 H ILE 19 HN ILE 19 3.068 5.376 4.886 161 HA ILE 19 HA ILE 19 3.868 7.672 6.227 162 HB ILE 19 HB ILE 19 5.615 5.282 5.621 163 HG12 ILE 19 2HG1 ILE 19 3.717 5.787 7.916 164 HG13 ILE 19 1HG1 ILE 19 3.558 4.554 6.670 165 HG21 ILE 19 1HG2 ILE 19 6.822 5.906 7.665 166 HG22 ILE 19 2HG2 ILE 19 5.810 7.342 7.812 167 HG23 ILE 19 3HG2 ILE 19 6.902 7.169 6.438 168 HD11 ILE 19 3HD1 ILE 19 5.601 3.476 7.497 169 HD12 ILE 19 1HD1 ILE 19 4.345 3.574 8.732 170 HD13 ILE 19 2HD1 ILE 19 5.708 4.692 8.770 171 H GLY 20 HN GLY 20 5.308 6.102 3.403 172 HA2 GLY 20 2HA GLY 20 5.971 8.432 2.060 173 HA3 GLY 20 1HA GLY 20 7.369 8.006 3.037 174 H ILE 21 HN ILE 21 7.798 8.101 0.475 175 HA ILE 21 HA ILE 21 7.537 5.413 -0.645 176 HB ILE 21 HB ILE 21 8.650 7.911 -1.947 177 HG12 ILE 21 2HG1 ILE 21 5.888 6.695 -2.162 178 HG13 ILE 21 1HG1 ILE 21 6.285 8.188 -1.317 179 HG21 ILE 21 1HG2 ILE 21 8.337 6.717 -4.048 180 HG22 ILE 21 2HG2 ILE 21 7.724 5.312 -3.174 181 HG23 ILE 21 3HG2 ILE 21 9.404 5.809 -2.975 182 HD11 ILE 21 3HD1 ILE 21 5.306 8.671 -3.464 183 HD12 ILE 21 1HD1 ILE 21 6.527 7.688 -4.273 184 HD13 ILE 21 2HD1 ILE 21 6.996 9.175 -3.450 185 H VAL 22 HN VAL 22 9.455 4.382 -1.535 186 HA VAL 22 HA VAL 22 11.831 4.881 0.109 187 HB VAL 22 HB VAL 22 11.129 2.456 -1.555 188 HG11 VAL 22 1HG1 VAL 22 13.356 2.904 0.428 189 HG12 VAL 22 2HG1 VAL 22 13.530 2.716 -1.318 190 HG13 VAL 22 3HG1 VAL 22 12.964 1.363 -0.337 191 HG21 VAL 22 3HG2 VAL 22 10.995 2.873 1.429 192 HG22 VAL 22 1HG2 VAL 22 10.700 1.350 0.590 193 HG23 VAL 22 2HG2 VAL 22 9.618 2.719 0.338 194 HA PRO 23 HA PRO 23 12.898 7.142 -3.670 195 HB2 PRO 23 2HB PRO 23 15.346 7.965 -2.617 196 HB3 PRO 23 1HB PRO 23 13.818 8.840 -2.496 197 HG2 PRO 23 2HG PRO 23 15.143 7.053 -0.513 198 HG3 PRO 23 1HG PRO 23 14.218 8.543 -0.247 199 HD2 PRO 23 2HD PRO 23 13.146 6.145 0.241 200 HD3 PRO 23 1HD PRO 23 12.176 7.459 -0.452 201 H GLU 24 HN GLU 24 14.746 7.228 -5.132 202 HA GLU 24 HA GLU 24 16.152 6.273 -6.572 203 HB2 GLU 24 2HB GLU 24 17.062 5.155 -3.967 204 HB3 GLU 24 1HB GLU 24 17.727 4.515 -5.453 205 HG2 GLU 24 2HG GLU 24 19.014 6.378 -4.332 206 HG3 GLU 24 1HG GLU 24 18.693 6.552 -6.055 207 H SER 25 HN SER 25 13.512 5.052 -5.878 208 HA SER 25 HA SER 25 13.907 2.335 -6.843 209 HB2 SER 25 2HB SER 25 12.199 2.654 -5.121 210 HB3 SER 25 1HB SER 25 11.386 3.856 -6.118 211 HG SER 25 HG SER 25 10.987 1.258 -6.103 212 H LYS 26 HN LYS 26 13.084 1.615 -8.841 213 HA LYS 26 HA LYS 26 12.855 3.652 -10.880 214 HB2 LYS 26 2HB LYS 26 13.033 0.674 -10.849 215 HB3 LYS 26 1HB LYS 26 12.306 1.439 -12.255 216 HG2 LYS 26 2HG LYS 26 14.677 1.003 -12.593 217 HG3 LYS 26 1HG LYS 26 14.327 2.729 -12.631 218 HD2 LYS 26 2HD LYS 26 15.114 2.918 -10.306 219 HD3 LYS 26 1HD LYS 26 15.499 1.195 -10.309 220 HE2 LYS 26 2HE LYS 26 17.098 1.539 -12.107 221 HE3 LYS 26 1HE LYS 26 16.685 3.251 -12.174 222 HZ1 LYS 26 3HZ LYS 26 18.735 2.835 -10.943 223 HZ2 LYS 26 1HZ LYS 26 17.895 1.870 -9.830 224 HZ3 LYS 26 2HZ LYS 26 17.552 3.529 -9.946 225 H VAL 27 HN VAL 27 10.759 1.893 -8.819 226 HA VAL 27 HA VAL 27 8.447 2.470 -10.513 227 HB VAL 27 HB VAL 27 7.094 1.192 -9.021 228 HG11 VAL 27 1HG1 VAL 27 8.400 -0.098 -10.604 229 HG12 VAL 27 2HG1 VAL 27 8.182 -0.999 -9.103 230 HG13 VAL 27 3HG1 VAL 27 9.725 -0.213 -9.444 231 HG21 VAL 27 3HG2 VAL 27 8.001 1.937 -6.894 232 HG22 VAL 27 1HG2 VAL 27 9.478 1.017 -7.185 233 HG23 VAL 27 2HG2 VAL 27 7.944 0.175 -6.963 234 H ARG 28 HN ARG 28 10.236 3.884 -8.016 235 HA ARG 28 HA ARG 28 8.463 5.487 -6.653 236 HB2 ARG 28 2HB ARG 28 10.821 5.636 -6.209 237 HB3 ARG 28 1HB ARG 28 11.156 6.164 -7.848 238 HG2 ARG 28 2HG ARG 28 9.922 8.255 -7.391 239 HG3 ARG 28 1HG ARG 28 9.707 7.726 -5.721 240 HD2 ARG 28 2HD ARG 28 11.599 9.284 -5.985 241 HD3 ARG 28 1HD ARG 28 12.099 7.707 -5.379 242 HE ARG 28 HE ARG 28 12.329 7.751 -8.193 243 HH11 ARG 28 1HH1 ARG 28 13.845 9.199 -5.374 244 HH12 ARG 28 2HH1 ARG 28 15.430 9.246 -6.100 245 HH21 ARG 28 1HH2 ARG 28 14.392 7.854 -9.151 246 HH22 ARG 28 2HH2 ARG 28 15.729 8.532 -8.264 247 H ARG 29 HN ARG 29 9.843 6.065 -9.860 248 HA ARG 29 HA ARG 29 8.435 8.406 -10.493 249 HB2 ARG 29 2HB ARG 29 10.421 7.605 -11.704 250 HB3 ARG 29 1HB ARG 29 9.506 6.234 -12.309 251 HG2 ARG 29 2HG ARG 29 8.046 7.769 -13.545 252 HG3 ARG 29 1HG ARG 29 9.006 9.131 -12.956 253 HD2 ARG 29 2HD ARG 29 10.976 8.258 -14.056 254 HD3 ARG 29 1HD ARG 29 10.086 6.830 -14.575 255 HE ARG 29 HE ARG 29 9.101 9.424 -15.468 256 HH11 ARG 29 1HH1 ARG 29 10.893 6.515 -16.189 257 HH12 ARG 29 2HH1 ARG 29 10.795 6.717 -17.909 258 HH21 ARG 29 1HH2 ARG 29 8.916 9.691 -17.728 259 HH22 ARG 29 2HH2 ARG 29 9.631 8.505 -18.792 260 H LYS 30 HN LYS 30 7.648 5.010 -10.851 261 HA LYS 30 HA LYS 30 5.378 5.223 -12.494 262 HB2 LYS 30 2HB LYS 30 6.634 3.128 -11.979 263 HB3 LYS 30 1HB LYS 30 5.951 3.150 -10.366 264 HG2 LYS 30 2HG LYS 30 3.702 2.947 -11.340 265 HG3 LYS 30 1HG LYS 30 4.431 2.853 -12.947 266 HD2 LYS 30 2HD LYS 30 5.732 0.877 -12.160 267 HD3 LYS 30 1HD LYS 30 4.814 0.933 -10.656 268 HE2 LYS 30 2HE LYS 30 2.740 0.605 -11.908 269 HE3 LYS 30 1HE LYS 30 3.654 0.556 -13.416 270 HZ1 LYS 30 3HZ LYS 30 3.290 -1.673 -12.817 271 HZ2 LYS 30 1HZ LYS 30 3.698 -1.406 -11.189 272 HZ3 LYS 30 2HZ LYS 30 4.896 -1.368 -12.385 273 H ILE 31 HN ILE 31 5.738 5.158 -8.978 274 HA ILE 31 HA ILE 31 2.995 5.230 -8.324 275 HB ILE 31 HB ILE 31 5.373 6.200 -6.724 276 HG12 ILE 31 2HG1 ILE 31 5.520 3.831 -7.292 277 HG13 ILE 31 1HG1 ILE 31 5.174 4.019 -5.576 278 HG21 ILE 31 1HG2 ILE 31 3.934 6.006 -4.759 279 HG22 ILE 31 2HG2 ILE 31 2.567 5.595 -5.796 280 HG23 ILE 31 3HG2 ILE 31 3.305 7.193 -5.902 281 HD11 ILE 31 3HD1 ILE 31 3.882 2.209 -6.539 282 HD12 ILE 31 1HD1 ILE 31 3.176 3.320 -7.715 283 HD13 ILE 31 2HD1 ILE 31 2.825 3.513 -5.997 284 H MET 32 HN MET 32 5.390 7.862 -8.556 285 HA MET 32 HA MET 32 3.574 9.942 -7.937 286 HB2 MET 32 2HB MET 32 6.227 9.879 -9.358 287 HB3 MET 32 1HB MET 32 5.319 11.374 -9.184 288 HG2 MET 32 2HG MET 32 6.205 9.631 -6.898 289 HG3 MET 32 1HG MET 32 7.058 11.065 -7.463 290 HE1 MET 32 3HE MET 32 6.986 12.064 -5.010 291 HE2 MET 32 1HE MET 32 6.102 10.656 -4.421 292 HE3 MET 32 2HE MET 32 5.504 12.279 -4.076 293 H ASP 33 HN ASP 33 4.443 8.339 -10.920 294 HA ASP 33 HA ASP 33 3.136 10.083 -12.724 295 HB2 ASP 33 2HB ASP 33 4.821 8.393 -13.383 296 HB3 ASP 33 1HB ASP 33 3.684 7.114 -12.978 297 H MET 34 HN MET 34 2.042 7.525 -10.651 298 HA MET 34 HA MET 34 -0.562 7.303 -11.876 299 HB2 MET 34 2HB MET 34 0.687 6.162 -9.387 300 HB3 MET 34 1HB MET 34 -1.020 5.949 -9.737 301 HG2 MET 34 2HG MET 34 1.274 5.039 -11.460 302 HG3 MET 34 1HG MET 34 0.279 4.019 -10.424 303 HE1 MET 34 3HE MET 34 -3.244 4.438 -12.189 304 HE2 MET 34 1HE MET 34 -2.571 5.443 -10.907 305 HE3 MET 34 2HE MET 34 -2.393 3.690 -10.838 306 H GLY 35 HN GLY 35 0.896 9.524 -9.853 307 HA2 GLY 35 2HA GLY 35 -0.068 11.453 -8.980 308 HA3 GLY 35 1HA GLY 35 -1.656 10.764 -9.285 309 H ILE 36 HN ILE 36 0.703 8.907 -7.558 310 HA ILE 36 HA ILE 36 -0.902 9.215 -5.115 311 HB ILE 36 HB ILE 36 1.156 7.087 -5.734 312 HG12 ILE 36 2HG1 ILE 36 -1.855 6.850 -5.848 313 HG13 ILE 36 1HG1 ILE 36 -0.837 7.080 -7.263 314 HG21 ILE 36 1HG2 ILE 36 0.099 5.891 -3.859 315 HG22 ILE 36 2HG2 ILE 36 -0.943 7.285 -3.575 316 HG23 ILE 36 3HG2 ILE 36 0.801 7.429 -3.356 317 HD11 ILE 36 3HD1 ILE 36 -0.738 4.739 -5.376 318 HD12 ILE 36 1HD1 ILE 36 0.288 4.967 -6.791 319 HD13 ILE 36 2HD1 ILE 36 -1.452 4.750 -6.989 320 H VAL 37 HN VAL 37 -0.008 9.975 -3.250 321 HA VAL 37 HA VAL 37 2.835 10.732 -3.337 322 HB VAL 37 HB VAL 37 2.266 12.918 -2.281 323 HG11 VAL 37 1HG1 VAL 37 1.534 14.015 -4.350 324 HG12 VAL 37 2HG1 VAL 37 1.082 12.445 -5.015 325 HG13 VAL 37 3HG1 VAL 37 2.772 12.795 -4.656 326 HG21 VAL 37 3HG2 VAL 37 -0.556 12.141 -3.014 327 HG22 VAL 37 1HG2 VAL 37 -0.048 13.755 -2.512 328 HG23 VAL 37 2HG2 VAL 37 0.081 12.401 -1.389 329 H ARG 38 HN ARG 38 3.606 11.512 -1.161 330 HA ARG 38 HA ARG 38 2.976 9.624 0.859 331 HB2 ARG 38 2HB ARG 38 5.202 10.680 0.609 332 HB3 ARG 38 1HB ARG 38 4.511 12.227 1.070 333 HG2 ARG 38 2HG ARG 38 4.278 9.896 2.920 334 HG3 ARG 38 1HG ARG 38 5.797 10.785 2.811 335 HD2 ARG 38 2HD ARG 38 4.714 12.827 3.455 336 HD3 ARG 38 1HD ARG 38 3.126 12.064 3.375 337 HE ARG 38 HE ARG 38 4.549 10.586 5.202 338 HH11 ARG 38 1HH1 ARG 38 3.610 13.949 4.883 339 HH12 ARG 38 2HH1 ARG 38 3.557 14.227 6.600 340 HH21 ARG 38 1HH2 ARG 38 4.412 10.933 7.460 341 HH22 ARG 38 2HH2 ARG 38 3.975 12.507 8.063 342 H GLY 39 HN GLY 39 1.120 9.627 1.918 343 HA2 GLY 39 2HA GLY 39 0.023 10.991 3.763 344 HA3 GLY 39 1HA GLY 39 -0.153 12.218 2.515 345 H THR 40 HN THR 40 -0.553 9.815 0.601 346 HA THR 40 HA THR 40 -3.395 9.867 0.655 347 HB THR 40 HB THR 40 -1.700 7.918 -0.894 348 HG1 THR 40 1HG THR 40 -2.190 10.683 -1.289 349 HG21 THR 40 3HG2 THR 40 -4.106 7.520 -0.986 350 HG22 THR 40 1HG2 THR 40 -3.518 8.107 -2.542 351 HG23 THR 40 2HG2 THR 40 -4.375 9.199 -1.456 352 H GLU 41 HN GLU 41 -4.830 8.181 1.088 353 HA GLU 41 HA GLU 41 -3.856 6.189 2.992 354 HB2 GLU 41 2HB GLU 41 -6.626 7.210 2.354 355 HB3 GLU 41 1HB GLU 41 -6.287 5.936 3.505 356 HG2 GLU 41 2HG GLU 41 -5.079 7.448 4.918 357 HG3 GLU 41 1HG GLU 41 -5.218 8.733 3.716 358 H ILE 42 HN ILE 42 -3.895 4.077 2.551 359 HA ILE 42 HA ILE 42 -5.222 3.222 0.067 360 HB ILE 42 HB ILE 42 -2.558 2.397 1.195 361 HG12 ILE 42 2HG1 ILE 42 -1.910 2.637 -1.247 362 HG13 ILE 42 1HG1 ILE 42 -3.513 3.300 -1.529 363 HG21 ILE 42 1HG2 ILE 42 -4.188 0.827 -0.797 364 HG22 ILE 42 2HG2 ILE 42 -3.754 0.326 0.837 365 HG23 ILE 42 3HG2 ILE 42 -2.500 0.520 -0.388 366 HD11 ILE 42 3HD1 ILE 42 -1.855 5.050 -1.319 367 HD12 ILE 42 1HD1 ILE 42 -1.410 4.459 0.280 368 HD13 ILE 42 2HD1 ILE 42 -3.017 5.130 0.006 369 H TYR 43 HN TYR 43 -6.840 1.892 0.399 370 HA TYR 43 HA TYR 43 -6.945 0.327 2.868 371 HB2 TYR 43 2HB TYR 43 -8.962 1.604 2.222 372 HB3 TYR 43 1HB TYR 43 -9.028 0.721 0.702 373 HD1 TYR 43 1HD TYR 43 -9.386 0.402 4.364 374 HD2 TYR 43 2HD TYR 43 -10.001 -1.447 0.584 375 HE1 TYR 43 1HE TYR 43 -10.780 -1.315 5.438 376 HE2 TYR 43 2HE TYR 43 -11.395 -3.171 1.647 377 HH TYR 43 HH TYR 43 -11.665 -4.182 3.913 378 H ILE 44 HN ILE 44 -6.116 -1.663 2.802 379 HA ILE 44 HA ILE 44 -5.392 -2.898 0.331 380 HB ILE 44 HB ILE 44 -5.477 -4.124 3.097 381 HG12 ILE 44 2HG1 ILE 44 -4.031 -2.149 3.038 382 HG13 ILE 44 1HG1 ILE 44 -3.070 -3.617 3.184 383 HG21 ILE 44 1HG2 ILE 44 -3.863 -5.737 2.195 384 HG22 ILE 44 2HG2 ILE 44 -4.019 -4.996 0.601 385 HG23 ILE 44 3HG2 ILE 44 -5.404 -5.802 1.339 386 HD11 ILE 44 3HD1 ILE 44 -2.052 -2.052 1.643 387 HD12 ILE 44 1HD1 ILE 44 -3.519 -2.040 0.663 388 HD13 ILE 44 2HD1 ILE 44 -2.563 -3.515 0.799 389 H GLU 45 HN GLU 45 -7.077 -3.459 -0.951 390 HA GLU 45 HA GLU 45 -9.499 -4.564 0.072 391 HB2 GLU 45 2HB GLU 45 -9.380 -3.313 -2.066 392 HB3 GLU 45 1HB GLU 45 -8.418 -4.614 -2.753 393 HG2 GLU 45 2HG GLU 45 -10.248 -6.137 -2.614 394 HG3 GLU 45 1HG GLU 45 -11.205 -4.982 -1.688 395 H GLY 46 HN GLY 46 -6.515 -5.839 -1.237 396 HA2 GLY 46 2HA GLY 46 -6.312 -8.057 0.254 397 HA3 GLY 46 1HA GLY 46 -7.426 -8.575 -1.003 398 H LYS 47 HN LYS 47 -4.697 -9.450 -0.357 399 HA LYS 47 HA LYS 47 -3.228 -8.759 -2.772 400 HB2 LYS 47 2HB LYS 47 -2.577 -10.838 -0.663 401 HB3 LYS 47 1HB LYS 47 -1.494 -10.237 -1.909 402 HG2 LYS 47 2HG LYS 47 -1.381 -8.085 -0.885 403 HG3 LYS 47 1HG LYS 47 -2.661 -8.502 0.254 404 HD2 LYS 47 2HD LYS 47 -0.431 -8.594 1.294 405 HD3 LYS 47 1HD LYS 47 -1.227 -10.168 1.296 406 HE2 LYS 47 2HE LYS 47 0.083 -10.845 -0.646 407 HE3 LYS 47 1HE LYS 47 0.860 -9.262 -0.689 408 HZ1 LYS 47 3HZ LYS 47 1.022 -11.108 1.634 409 HZ2 LYS 47 1HZ LYS 47 1.922 -9.695 1.378 410 HZ3 LYS 47 2HZ LYS 47 2.185 -11.053 0.398 411 H ALA 48 HN ALA 48 -2.723 -10.373 -4.389 412 HA ALA 48 HA ALA 48 -4.808 -12.108 -5.093 413 HB1 ALA 48 1HB ALA 48 -1.899 -12.286 -5.880 414 HB2 ALA 48 2HB ALA 48 -3.124 -11.309 -6.691 415 HB3 ALA 48 3HB ALA 48 -3.244 -13.069 -6.707 416 HA PRO 49 HA PRO 49 -4.307 -15.696 -2.509 417 HB2 PRO 49 2HB PRO 49 -4.566 -17.316 -4.987 418 HB3 PRO 49 1HB PRO 49 -5.514 -17.383 -3.498 419 HG2 PRO 49 2HG PRO 49 -6.533 -16.303 -5.709 420 HG3 PRO 49 1HG PRO 49 -6.855 -15.591 -4.116 421 HD2 PRO 49 2HD PRO 49 -4.968 -14.685 -6.252 422 HD3 PRO 49 1HD PRO 49 -5.999 -13.722 -5.173 423 H MET 50 HN MET 50 -2.449 -15.317 -5.431 424 HA MET 50 HA MET 50 -0.439 -17.241 -4.633 425 HB2 MET 50 2HB MET 50 -1.067 -16.828 -7.024 426 HB3 MET 50 1HB MET 50 -0.351 -15.230 -6.887 427 HG2 MET 50 2HG MET 50 1.820 -16.213 -6.452 428 HG3 MET 50 1HG MET 50 1.118 -17.830 -6.510 429 HE1 MET 50 3HE MET 50 2.921 -18.581 -8.303 430 HE2 MET 50 1HE MET 50 3.647 -16.974 -8.239 431 HE3 MET 50 2HE MET 50 3.245 -17.699 -9.796 432 H GLY 51 HN GLY 51 -1.139 -13.943 -4.117 433 HA2 GLY 51 2HA GLY 51 0.005 -12.848 -2.292 434 HA3 GLY 51 1HA GLY 51 1.497 -13.589 -2.842 435 H ASP 52 HN ASP 52 0.642 -12.926 -5.669 436 HA ASP 52 HA ASP 52 0.948 -10.026 -5.717 437 HB2 ASP 52 2HB ASP 52 3.258 -10.795 -5.642 438 HB3 ASP 52 1HB ASP 52 2.952 -11.947 -6.936 439 HA PRO 53 HA PRO 53 0.950 -8.468 -7.107 440 HB2 PRO 53 2HB PRO 53 -1.274 -7.130 -8.347 441 HB3 PRO 53 1HB PRO 53 0.425 -7.080 -8.813 442 HG2 PRO 53 2HG PRO 53 -1.556 -8.239 -10.320 443 HG3 PRO 53 1HG PRO 53 0.155 -8.691 -10.413 444 HD2 PRO 53 2HD PRO 53 -2.086 -10.029 -8.947 445 HD3 PRO 53 1HD PRO 53 -0.756 -10.756 -9.876 446 H ILE 54 HN ILE 54 -0.571 -6.437 -6.309 447 HA ILE 54 HA ILE 54 -2.465 -7.592 -4.360 448 HB ILE 54 HB ILE 54 -0.620 -5.231 -3.931 449 HG12 ILE 54 2HG1 ILE 54 -0.483 -8.034 -2.790 450 HG13 ILE 54 1HG1 ILE 54 0.598 -7.376 -4.015 451 HG21 ILE 54 1HG2 ILE 54 -1.363 -5.319 -1.609 452 HG22 ILE 54 2HG2 ILE 54 -2.450 -6.652 -1.997 453 HG23 ILE 54 3HG2 ILE 54 -2.726 -5.057 -2.698 454 HD11 ILE 54 3HD1 ILE 54 1.623 -7.390 -1.807 455 HD12 ILE 54 1HD1 ILE 54 0.326 -6.364 -1.194 456 HD13 ILE 54 2HD1 ILE 54 1.434 -5.746 -2.422 457 H ALA 55 HN ALA 55 -4.377 -6.470 -4.008 458 HA ALA 55 HA ALA 55 -4.954 -4.335 -5.933 459 HB1 ALA 55 1HB ALA 55 -7.301 -4.806 -5.490 460 HB2 ALA 55 2HB ALA 55 -6.847 -5.972 -4.248 461 HB3 ALA 55 3HB ALA 55 -6.445 -6.282 -5.937 462 H LEU 56 HN LEU 56 -4.713 -2.341 -5.214 463 HA LEU 56 HA LEU 56 -5.137 -1.779 -2.350 464 HB2 LEU 56 2HB LEU 56 -3.663 -0.135 -4.397 465 HB3 LEU 56 1HB LEU 56 -3.823 0.255 -2.707 466 HG LEU 56 HG LEU 56 -2.520 -1.880 -2.224 467 HD11 LEU 56 1HD1 LEU 56 -1.073 -2.699 -4.009 468 HD12 LEU 56 2HD1 LEU 56 -1.877 -1.633 -5.160 469 HD13 LEU 56 3HD1 LEU 56 -2.772 -2.949 -4.404 470 HD21 LEU 56 3HD2 LEU 56 -0.393 -0.777 -2.596 471 HD22 LEU 56 1HD2 LEU 56 -1.599 0.385 -2.045 472 HD23 LEU 56 2HD2 LEU 56 -1.144 0.328 -3.748 473 H ARG 57 HN ARG 57 -6.734 -0.474 -1.758 474 HA ARG 57 HA ARG 57 -8.339 0.891 -3.776 475 HB2 ARG 57 2HB ARG 57 -8.684 0.374 -0.840 476 HB3 ARG 57 1HB ARG 57 -9.690 1.538 -1.672 477 HG2 ARG 57 2HG ARG 57 -9.456 -1.268 -2.668 478 HG3 ARG 57 1HG ARG 57 -10.543 -0.864 -1.337 479 HD2 ARG 57 2HD ARG 57 -11.690 0.751 -2.715 480 HD3 ARG 57 1HD ARG 57 -10.555 0.471 -4.035 481 HE ARG 57 HE ARG 57 -11.693 -1.987 -3.410 482 HH11 ARG 57 1HH1 ARG 57 -12.784 1.131 -4.572 483 HH12 ARG 57 2HH1 ARG 57 -14.041 0.463 -5.572 484 HH21 ARG 57 1HH2 ARG 57 -13.341 -2.869 -4.659 485 HH22 ARG 57 2HH2 ARG 57 -14.402 -1.824 -5.574 486 H LEU 58 HN LEU 58 -7.313 2.678 -4.438 487 HA LEU 58 HA LEU 58 -6.685 4.694 -2.416 488 HB2 LEU 58 2HB LEU 58 -4.615 5.276 -3.769 489 HB3 LEU 58 1HB LEU 58 -4.535 3.837 -2.776 490 HG LEU 58 HG LEU 58 -5.183 2.601 -4.989 491 HD11 LEU 58 1HD1 LEU 58 -4.309 3.666 -6.990 492 HD12 LEU 58 2HD1 LEU 58 -3.956 5.130 -6.073 493 HD13 LEU 58 3HD1 LEU 58 -5.626 4.612 -6.300 494 HD21 LEU 58 3HD2 LEU 58 -2.443 3.772 -4.550 495 HD22 LEU 58 1HD2 LEU 58 -2.821 2.351 -5.524 496 HD23 LEU 58 2HD2 LEU 58 -3.088 2.321 -3.781 497 H ARG 59 HN ARG 59 -7.070 6.776 -3.024 498 HA ARG 59 HA ARG 59 -7.835 8.538 -4.245 499 HB2 ARG 59 2HB ARG 59 -6.164 7.786 -5.929 500 HB3 ARG 59 1HB ARG 59 -7.391 6.768 -6.659 501 HG2 ARG 59 2HG ARG 59 -8.679 8.711 -7.295 502 HG3 ARG 59 1HG ARG 59 -7.528 9.770 -6.471 503 HD2 ARG 59 2HD ARG 59 -5.765 9.089 -7.980 504 HD3 ARG 59 1HD ARG 59 -6.838 7.926 -8.755 505 HE ARG 59 HE ARG 59 -7.997 10.477 -8.946 506 HH11 ARG 59 1HH1 ARG 59 -5.204 8.729 -10.137 507 HH12 ARG 59 2HH1 ARG 59 -5.149 9.570 -11.655 508 HH21 ARG 59 1HH2 ARG 59 -7.936 11.596 -10.946 509 HH22 ARG 59 2HH2 ARG 59 -6.706 11.205 -12.111 510 H GLY 60 HN GLY 60 -9.283 5.595 -3.991 511 HA2 GLY 60 2HA GLY 60 -11.768 5.970 -3.559 512 HA3 GLY 60 1HA GLY 60 -11.792 6.490 -5.237 513 H TYR 61 HN TYR 61 -9.986 4.552 -6.264 514 HA TYR 61 HA TYR 61 -11.752 2.212 -6.059 515 HB2 TYR 61 2HB TYR 61 -10.918 1.717 -8.427 516 HB3 TYR 61 1HB TYR 61 -12.070 3.025 -8.222 517 HD1 TYR 61 2HD TYR 61 -8.460 2.288 -8.719 518 HD2 TYR 61 1HD TYR 61 -11.543 5.215 -8.929 519 HE1 TYR 61 2HE TYR 61 -6.934 3.806 -9.907 520 HE2 TYR 61 1HE TYR 61 -10.022 6.739 -10.113 521 HH TYR 61 HH TYR 61 -7.737 7.124 -10.504 522 H SER 62 HN SER 62 -10.853 0.160 -6.435 523 HA SER 62 HA SER 62 -8.208 -0.211 -5.381 524 HB2 SER 62 2HB SER 62 -10.032 -1.740 -4.786 525 HB3 SER 62 1HB SER 62 -10.193 -2.219 -6.469 526 HG SER 62 HG SER 62 -8.964 -3.713 -5.279 527 H LEU 63 HN LEU 63 -6.489 -1.125 -6.443 528 HA LEU 63 HA LEU 63 -6.637 -1.666 -9.288 529 HB2 LEU 63 2HB LEU 63 -6.226 0.782 -9.120 530 HB3 LEU 63 1HB LEU 63 -4.765 0.448 -8.214 531 HG LEU 63 HG LEU 63 -3.844 -0.742 -10.180 532 HD11 LEU 63 1HD1 LEU 63 -5.921 -1.436 -11.220 533 HD12 LEU 63 2HD1 LEU 63 -4.964 -0.478 -12.349 534 HD13 LEU 63 3HD1 LEU 63 -6.351 0.245 -11.535 535 HD21 LEU 63 3HD2 LEU 63 -4.749 2.092 -10.673 536 HD22 LEU 63 1HD2 LEU 63 -3.460 1.263 -11.548 537 HD23 LEU 63 2HD2 LEU 63 -3.287 1.587 -9.824 538 H SER 64 HN SER 64 -4.940 -2.951 -10.012 539 HA SER 64 HA SER 64 -3.571 -4.359 -7.888 540 HB2 SER 64 2HB SER 64 -2.874 -5.666 -10.162 541 HB3 SER 64 1HB SER 64 -4.350 -5.988 -9.255 542 HG SER 64 HG SER 64 -4.054 -4.269 -11.511 543 H LEU 65 HN LEU 65 -1.679 -3.653 -7.238 544 HA LEU 65 HA LEU 65 0.271 -2.744 -9.257 545 HB2 LEU 65 2HB LEU 65 -0.017 -2.060 -6.334 546 HB3 LEU 65 1HB LEU 65 1.491 -1.815 -7.190 547 HG LEU 65 HG LEU 65 0.386 0.278 -7.122 548 HD11 LEU 65 1HD1 LEU 65 -0.039 -0.927 -9.848 549 HD12 LEU 65 2HD1 LEU 65 1.457 -0.219 -9.240 550 HD13 LEU 65 3HD1 LEU 65 0.036 0.796 -9.479 551 HD21 LEU 65 3HD2 LEU 65 -1.862 -0.505 -6.599 552 HD22 LEU 65 1HD2 LEU 65 -2.055 -1.071 -8.258 553 HD23 LEU 65 2HD2 LEU 65 -1.876 0.653 -7.930 554 H ARG 66 HN ARG 66 2.534 -3.429 -8.835 555 HA ARG 66 HA ARG 66 2.478 -6.261 -8.188 556 HB2 ARG 66 2HB ARG 66 4.572 -4.464 -9.398 557 HB3 ARG 66 1HB ARG 66 4.901 -6.138 -8.973 558 HG2 ARG 66 2HG ARG 66 2.758 -5.244 -10.888 559 HG3 ARG 66 1HG ARG 66 4.361 -5.815 -11.355 560 HD2 ARG 66 2HD ARG 66 3.854 -7.942 -10.125 561 HD3 ARG 66 1HD ARG 66 2.198 -7.363 -9.941 562 HE ARG 66 HE ARG 66 2.566 -7.170 -12.594 563 HH11 ARG 66 1HH1 ARG 66 3.070 -9.795 -10.311 564 HH12 ARG 66 2HH1 ARG 66 2.903 -11.036 -11.521 565 HH21 ARG 66 1HH2 ARG 66 2.369 -8.793 -14.170 566 HH22 ARG 66 2HH2 ARG 66 2.522 -10.463 -13.719 567 H LYS 67 HN LYS 67 4.076 -7.268 -6.847 568 HA LYS 67 HA LYS 67 4.420 -6.220 -4.309 569 HB2 LYS 67 2HB LYS 67 4.698 -8.618 -5.096 570 HB3 LYS 67 1HB LYS 67 6.312 -8.173 -5.621 571 HG2 LYS 67 2HG LYS 67 5.523 -7.641 -2.803 572 HG3 LYS 67 1HG LYS 67 5.898 -9.292 -3.293 573 HD2 LYS 67 2HD LYS 67 8.094 -8.518 -4.112 574 HD3 LYS 67 1HD LYS 67 7.707 -6.888 -3.553 575 HE2 LYS 67 2HE LYS 67 9.104 -8.027 -1.928 576 HE3 LYS 67 1HE LYS 67 7.499 -7.733 -1.261 577 HZ1 LYS 67 3HZ LYS 67 6.957 -10.076 -1.930 578 HZ2 LYS 67 1HZ LYS 67 8.099 -9.930 -0.683 579 HZ3 LYS 67 2HZ LYS 67 8.601 -10.301 -2.262 580 H SER 68 HN SER 68 6.362 -5.747 -7.171 581 HA SER 68 HA SER 68 8.683 -4.670 -6.094 582 HB2 SER 68 2HB SER 68 7.267 -3.724 -8.598 583 HB3 SER 68 1HB SER 68 8.994 -3.612 -8.250 584 HG SER 68 HG SER 68 7.871 -5.517 -9.540 585 H GLU 69 HN GLU 69 5.801 -2.881 -7.224 586 HA GLU 69 HA GLU 69 6.529 -0.395 -6.108 587 HB2 GLU 69 2HB GLU 69 3.780 -1.493 -6.754 588 HB3 GLU 69 1HB GLU 69 4.111 0.183 -6.357 589 HG2 GLU 69 2HG GLU 69 4.038 0.277 -8.632 590 HG3 GLU 69 1HG GLU 69 5.763 0.031 -8.371 591 H ALA 70 HN ALA 70 4.642 -3.089 -4.881 592 HA ALA 70 HA ALA 70 3.705 -1.892 -2.519 593 HB1 ALA 70 1HB ALA 70 4.265 -4.795 -3.095 594 HB2 ALA 70 2HB ALA 70 2.753 -3.939 -3.403 595 HB3 ALA 70 3HB ALA 70 3.309 -4.185 -1.746 596 H LYS 71 HN LYS 71 6.825 -3.087 -3.360 597 HA LYS 71 HA LYS 71 7.748 -3.408 -0.653 598 HB2 LYS 71 2HB LYS 71 8.723 -4.671 -2.570 599 HB3 LYS 71 1HB LYS 71 9.331 -3.164 -3.230 600 HG2 LYS 71 2HG LYS 71 10.129 -4.059 -0.488 601 HG3 LYS 71 1HG LYS 71 10.928 -4.704 -1.919 602 HD2 LYS 71 2HD LYS 71 10.660 -1.745 -1.600 603 HD3 LYS 71 1HD LYS 71 11.886 -2.603 -0.672 604 HE2 LYS 71 2HE LYS 71 12.871 -1.763 -2.704 605 HE3 LYS 71 1HE LYS 71 12.794 -3.520 -2.780 606 HZ1 LYS 71 3HZ LYS 71 12.149 -2.363 -4.859 607 HZ2 LYS 71 1HZ LYS 71 10.802 -1.725 -4.059 608 HZ3 LYS 71 2HZ LYS 71 10.955 -3.404 -4.262 609 H ASP 72 HN ASP 72 7.775 -0.890 -3.108 610 HA ASP 72 HA ASP 72 9.668 0.702 -1.586 611 HB2 ASP 72 2HB ASP 72 8.481 0.939 -4.331 612 HB3 ASP 72 1HB ASP 72 9.373 2.268 -3.607 613 H ILE 73 HN ILE 73 6.540 0.237 -1.203 614 HA ILE 73 HA ILE 73 6.044 3.053 -0.501 615 HB ILE 73 HB ILE 73 4.016 0.875 -1.057 616 HG12 ILE 73 2HG1 ILE 73 5.050 1.781 -3.086 617 HG13 ILE 73 1HG1 ILE 73 3.369 2.289 -2.966 618 HG21 ILE 73 1HG2 ILE 73 3.249 2.336 0.733 619 HG22 ILE 73 2HG2 ILE 73 2.317 2.616 -0.738 620 HG23 ILE 73 3HG2 ILE 73 3.579 3.753 -0.264 621 HD11 ILE 73 3HD1 ILE 73 4.798 4.099 -3.737 622 HD12 ILE 73 1HD1 ILE 73 5.769 3.969 -2.269 623 HD13 ILE 73 2HD1 ILE 73 4.083 4.479 -2.170 624 H LEU 74 HN LEU 74 6.409 3.386 1.587 625 HA LEU 74 HA LEU 74 6.060 1.212 3.502 626 HB2 LEU 74 2HB LEU 74 7.212 3.985 3.829 627 HB3 LEU 74 1HB LEU 74 7.146 2.772 5.091 628 HG LEU 74 HG LEU 74 8.707 2.539 2.519 629 HD11 LEU 74 1HD1 LEU 74 10.673 2.723 3.967 630 HD12 LEU 74 2HD1 LEU 74 9.618 3.025 5.350 631 HD13 LEU 74 3HD1 LEU 74 9.678 4.178 4.016 632 HD21 LEU 74 3HD2 LEU 74 8.582 0.710 4.914 633 HD22 LEU 74 1HD2 LEU 74 9.668 0.532 3.535 634 HD23 LEU 74 2HD2 LEU 74 7.926 0.373 3.312 635 H VAL 75 HN VAL 75 4.354 1.098 4.845 636 HA VAL 75 HA VAL 75 2.568 3.439 4.949 637 HB VAL 75 HB VAL 75 0.625 1.866 4.863 638 HG11 VAL 75 1HG1 VAL 75 0.691 1.562 2.431 639 HG12 VAL 75 2HG1 VAL 75 2.422 1.899 2.438 640 HG13 VAL 75 3HG1 VAL 75 1.277 3.156 2.905 641 HG21 VAL 75 3HG2 VAL 75 2.714 -0.123 3.969 642 HG22 VAL 75 1HG2 VAL 75 0.968 -0.372 3.944 643 HG23 VAL 75 2HG2 VAL 75 1.809 -0.182 5.482 644 H GLU 76 HN GLU 76 1.202 3.594 6.719 645 HA GLU 76 HA GLU 76 1.968 1.989 9.071 646 HB2 GLU 76 2HB GLU 76 2.761 4.349 9.153 647 HB3 GLU 76 1HB GLU 76 1.100 4.891 8.978 648 HG2 GLU 76 2HG GLU 76 0.518 3.971 11.117 649 HG3 GLU 76 1HG GLU 76 2.114 3.235 11.276 650 H VAL 77 HN VAL 77 0.260 1.361 10.442 651 HA VAL 77 HA VAL 77 -2.177 0.902 9.052 652 HB VAL 77 HB VAL 77 -1.175 -0.708 10.664 653 HG11 VAL 77 1HG1 VAL 77 -0.502 0.814 12.422 654 HG12 VAL 77 2HG1 VAL 77 -1.594 -0.415 13.062 655 HG13 VAL 77 3HG1 VAL 77 -2.188 1.217 12.749 656 HG21 VAL 77 3HG2 VAL 77 -4.004 0.125 11.262 657 HG22 VAL 77 1HG2 VAL 77 -3.292 -1.449 11.611 658 HG23 VAL 77 2HG2 VAL 77 -3.484 -0.920 9.940 659 H LEU 78 HN LEU 78 -4.157 1.822 9.266 660 HA LEU 78 HA LEU 78 -4.188 4.426 10.586 661 HB2 LEU 78 2HB LEU 78 -5.848 3.161 8.441 662 HB3 LEU 78 1HB LEU 78 -6.377 4.612 9.264 663 HG LEU 78 HG LEU 78 -3.799 4.346 7.718 664 HD11 LEU 78 1HD1 LEU 78 -6.392 5.708 7.007 665 HD12 LEU 78 2HD1 LEU 78 -5.729 4.262 6.246 666 HD13 LEU 78 3HD1 LEU 78 -4.895 5.807 6.082 667 HD21 LEU 78 3HD2 LEU 78 -3.663 6.770 7.985 668 HD22 LEU 78 1HD2 LEU 78 -3.667 5.958 9.551 669 HD23 LEU 78 2HD2 LEU 78 -5.130 6.749 8.964 670 H LEU 79 HN LEU 79 -4.960 1.459 11.558 671 HA LEU 79 HA LEU 79 -7.523 1.594 12.604 672 HB2 LEU 79 2HB LEU 79 -5.080 0.260 13.767 673 HB3 LEU 79 1HB LEU 79 -6.721 -0.017 14.309 674 HG LEU 79 HG LEU 79 -5.643 -0.670 11.569 675 HD11 LEU 79 1HD1 LEU 79 -5.921 -2.993 12.270 676 HD12 LEU 79 2HD1 LEU 79 -6.411 -2.451 13.876 677 HD13 LEU 79 3HD1 LEU 79 -4.774 -2.139 13.302 678 HD21 LEU 79 3HD2 LEU 79 -8.354 -1.173 12.789 679 HD22 LEU 79 1HD2 LEU 79 -7.795 -1.800 11.238 680 HD23 LEU 79 2HD2 LEU 79 -7.991 -0.063 11.468 681 H GLU 80 HN GLU 80 -8.305 3.212 13.793 682 HA GLU 80 HA GLU 80 -6.506 4.822 15.376 683 HB2 GLU 80 2HB GLU 80 -8.228 5.877 13.964 684 HB3 GLU 80 1HB GLU 80 -9.479 5.132 14.950 685 HG2 GLU 80 2HG GLU 80 -8.896 6.436 16.837 686 HG3 GLU 80 1HG GLU 80 -7.411 7.000 16.071 687 H HIS 81 HN HIS 81 -5.987 3.113 16.819 688 HA HIS 81 HA HIS 81 -7.594 3.346 19.224 689 HB2 HIS 81 2HB HIS 81 -7.090 0.762 17.805 690 HB3 HIS 81 1HB HIS 81 -6.999 0.768 19.564 691 HD1 HIS 81 1HD HIS 81 -9.373 0.409 16.853 692 HD2 HIS 81 2HD HIS 81 -9.487 1.817 20.768 693 HE1 HIS 81 1HE HIS 81 -11.801 0.413 17.510 694 HE2 HIS 81 2HE HIS 81 -11.841 1.205 19.902 695 H HIS 82 HN HIS 82 -6.322 3.614 20.966 696 HA HIS 82 HA HIS 82 -3.462 3.730 20.431 697 HB2 HIS 82 2HB HIS 82 -5.143 4.748 22.724 698 HB3 HIS 82 1HB HIS 82 -3.386 4.858 22.692 699 HD1 HIS 82 1HD HIS 82 -2.325 6.534 21.023 700 HD2 HIS 82 2HD HIS 82 -6.487 6.570 21.079 701 HE1 HIS 82 1HE HIS 82 -3.007 8.612 19.776 702 HE2 HIS 82 2HE HIS 82 -5.523 8.660 19.889 703 H HIS 83 HN HIS 83 -5.762 1.861 22.217 704 HA HIS 83 HA HIS 83 -3.558 0.325 23.404 705 HB2 HIS 83 2HB HIS 83 -5.259 1.098 25.010 706 HB3 HIS 83 1HB HIS 83 -6.505 0.252 24.097 707 HD1 HIS 83 1HD HIS 83 -3.264 -0.589 25.915 708 HD2 HIS 83 2HD HIS 83 -6.963 -2.263 24.994 709 HE1 HIS 83 1HE HIS 83 -3.317 -2.816 27.090 710 HE2 HIS 83 2HE HIS 83 -5.477 -3.889 26.349 711 H HIS 84 HN HIS 84 -3.008 -0.697 21.466 712 HA HIS 84 HA HIS 84 -4.326 -3.183 21.070 713 HB2 HIS 84 2HB HIS 84 -5.855 -1.746 19.739 714 HB3 HIS 84 1HB HIS 84 -4.485 -1.210 18.772 715 HD1 HIS 84 1HD HIS 84 -3.739 -2.723 16.871 716 HD2 HIS 84 2HD HIS 84 -6.607 -4.475 19.314 717 HE1 HIS 84 1HE HIS 84 -4.439 -4.824 15.687 718 HE2 HIS 84 2HE HIS 84 -6.024 -5.965 17.278 719 H HIS 85 HN HIS 85 -2.829 -4.616 20.455 720 HA HIS 85 HA HIS 85 -0.339 -3.587 19.286 721 HB2 HIS 85 2HB HIS 85 -0.877 -6.357 20.385 722 HB3 HIS 85 1HB HIS 85 0.686 -5.693 19.924 723 HD1 HIS 85 1HD HIS 85 -1.292 -6.346 22.788 724 HD2 HIS 85 2HD HIS 85 1.265 -3.270 21.658 725 HE1 HIS 85 1HE HIS 85 -0.647 -5.184 24.921 726 HE2 HIS 85 2HE HIS 85 0.713 -3.191 24.186 727 H HIS 86 HN HIS 86 -1.365 -6.893 18.867 728 HA HIS 86 HA HIS 86 -2.613 -6.514 16.329 729 HB2 HIS 86 2HB HIS 86 -0.892 -7.883 15.050 730 HB3 HIS 86 1HB HIS 86 -0.436 -6.225 15.417 731 HD1 HIS 86 1HD HIS 86 0.503 -9.772 16.121 732 HD2 HIS 86 2HD HIS 86 1.664 -5.949 17.270 733 HE1 HIS 86 1HE HIS 86 2.716 -10.055 17.280 734 HE2 HIS 86 2HE HIS 86 3.260 -7.762 18.182 Start of MODEL 17 1 H1 MET 1 H1 MET 1 9.409 5.426 17.086 2 H2 MET 1 H2 MET 1 10.400 6.791 17.258 3 H3 MET 1 H3 MET 1 11.096 5.261 17.025 4 HA MET 1 HA MET 1 9.401 6.695 15.065 5 HB2 MET 1 2HB MET 1 11.719 7.637 15.482 6 HB3 MET 1 1HB MET 1 12.367 6.100 14.934 7 HG2 MET 1 2HG MET 1 10.574 7.819 13.245 8 HG3 MET 1 1HG MET 1 12.328 7.967 13.247 9 HE1 MET 1 2HE MET 1 13.418 4.461 11.866 10 HE2 MET 1 3HE MET 1 13.222 4.923 13.557 11 HE3 MET 1 1HE MET 1 13.971 6.042 12.419 12 H THR 2 HN THR 2 8.524 5.400 13.591 13 HA THR 2 HA THR 2 9.900 2.931 12.854 14 HB THR 2 HB THR 2 6.982 2.996 13.670 15 HG1 THR 2 1HG THR 2 9.274 2.521 15.043 16 HG21 THR 2 3HG2 THR 2 7.414 1.473 11.781 17 HG22 THR 2 1HG2 THR 2 7.004 0.591 13.252 18 HG23 THR 2 2HG2 THR 2 8.683 0.686 12.720 19 H LYS 3 HN LYS 3 9.999 2.786 10.718 20 HA LYS 3 HA LYS 3 8.536 4.678 9.089 21 HB2 LYS 3 2HB LYS 3 10.636 2.613 8.423 22 HB3 LYS 3 1HB LYS 3 9.891 3.663 7.224 23 HG2 LYS 3 2HG LYS 3 10.773 5.619 8.342 24 HG3 LYS 3 1HG LYS 3 11.454 4.609 9.620 25 HD2 LYS 3 2HD LYS 3 12.935 3.540 8.037 26 HD3 LYS 3 1HD LYS 3 12.199 4.429 6.702 27 HE2 LYS 3 2HE LYS 3 13.600 5.723 9.031 28 HE3 LYS 3 1HE LYS 3 14.374 5.363 7.488 29 HZ1 LYS 3 3HZ LYS 3 13.018 6.893 6.377 30 HZ2 LYS 3 1HZ LYS 3 13.474 7.689 7.803 31 HZ3 LYS 3 2HZ LYS 3 11.925 7.015 7.665 32 H GLY 4 HN GLY 4 7.576 1.996 10.419 33 HA2 GLY 4 2HA GLY 4 5.713 0.712 10.011 34 HA3 GLY 4 1HA GLY 4 5.540 1.529 8.465 35 H ILE 5 HN ILE 5 5.032 -0.457 7.510 36 HA ILE 5 HA ILE 5 7.410 -2.098 6.937 37 HB ILE 5 HB ILE 5 5.880 -4.032 6.573 38 HG12 ILE 5 2HG1 ILE 5 3.816 -2.247 7.889 39 HG13 ILE 5 1HG1 ILE 5 3.808 -2.746 6.200 40 HG21 ILE 5 1HG2 ILE 5 5.502 -4.532 8.957 41 HG22 ILE 5 2HG2 ILE 5 5.849 -2.846 9.345 42 HG23 ILE 5 3HG2 ILE 5 7.107 -3.868 8.648 43 HD11 ILE 5 3HD1 ILE 5 3.508 -5.062 6.874 44 HD12 ILE 5 1HD1 ILE 5 2.236 -4.036 7.537 45 HD13 ILE 5 2HD1 ILE 5 3.557 -4.583 8.571 46 H GLY 6 HN GLY 6 7.138 -3.250 4.769 47 HA2 GLY 6 2HA GLY 6 6.495 -1.338 2.770 48 HA3 GLY 6 1HA GLY 6 6.876 -3.031 2.495 49 H LEU 7 HN LEU 7 4.816 -1.307 1.291 50 HA LEU 7 HA LEU 7 2.243 -1.824 2.199 51 HB2 LEU 7 2HB LEU 7 3.034 -0.322 0.286 52 HB3 LEU 7 1HB LEU 7 3.052 -1.760 -0.711 53 HG LEU 7 HG LEU 7 1.030 -0.271 -0.951 54 HD11 LEU 7 1HD1 LEU 7 0.556 -3.132 -0.126 55 HD12 LEU 7 2HD1 LEU 7 0.983 -2.563 -1.740 56 HD13 LEU 7 3HD1 LEU 7 -0.573 -2.125 -1.035 57 HD21 LEU 7 3HD2 LEU 7 -0.717 -0.466 0.749 58 HD22 LEU 7 1HD2 LEU 7 0.735 0.299 1.394 59 HD23 LEU 7 2HD2 LEU 7 0.384 -1.387 1.773 60 H ASN 8 HN ASN 8 4.471 -3.846 0.462 61 HA ASN 8 HA ASN 8 2.613 -5.847 -0.336 62 HB2 ASN 8 2HB ASN 8 4.541 -7.137 -0.981 63 HB3 ASN 8 1HB ASN 8 4.840 -5.456 -1.407 64 HD21 ASN 8 1HD2 ASN 8 6.391 -4.278 -0.237 65 HD22 ASN 8 2HD2 ASN 8 7.544 -5.049 0.805 66 H GLU 9 HN GLU 9 4.085 -5.107 2.654 67 HA GLU 9 HA GLU 9 4.031 -7.851 3.623 68 HB2 GLU 9 2HB GLU 9 4.942 -5.289 4.943 69 HB3 GLU 9 1HB GLU 9 5.109 -6.896 5.620 70 HG2 GLU 9 2HG GLU 9 6.563 -7.526 3.774 71 HG3 GLU 9 1HG GLU 9 6.393 -5.912 3.089 72 H VAL 10 HN VAL 10 1.954 -5.264 3.394 73 HA VAL 10 HA VAL 10 0.627 -5.544 5.941 74 HB VAL 10 HB VAL 10 -0.436 -4.166 3.477 75 HG11 VAL 10 1HG1 VAL 10 -2.060 -4.467 5.267 76 HG12 VAL 10 2HG1 VAL 10 -1.641 -2.764 5.083 77 HG13 VAL 10 3HG1 VAL 10 -0.956 -3.702 6.410 78 HG21 VAL 10 3HG2 VAL 10 0.586 -2.098 4.339 79 HG22 VAL 10 1HG2 VAL 10 1.791 -3.307 3.893 80 HG23 VAL 10 2HG2 VAL 10 1.395 -3.043 5.590 81 H GLU 11 HN GLU 11 -1.622 -6.200 6.117 82 HA GLU 11 HA GLU 11 -2.161 -8.509 4.411 83 HB2 GLU 11 2HB GLU 11 -2.152 -8.549 7.002 84 HB3 GLU 11 1HB GLU 11 -3.724 -7.774 6.874 85 HG2 GLU 11 2HG GLU 11 -4.593 -9.645 5.634 86 HG3 GLU 11 1HG GLU 11 -3.004 -10.406 5.606 87 H ILE 12 HN ILE 12 -4.744 -8.843 4.295 88 HA ILE 12 HA ILE 12 -5.495 -6.706 2.501 89 HB ILE 12 HB ILE 12 -7.287 -8.188 1.768 90 HG12 ILE 12 2HG1 ILE 12 -6.273 -10.091 3.894 91 HG13 ILE 12 1HG1 ILE 12 -7.784 -9.196 3.989 92 HG21 ILE 12 1HG2 ILE 12 -4.645 -9.611 2.062 93 HG22 ILE 12 2HG2 ILE 12 -5.059 -8.446 0.805 94 HG23 ILE 12 3HG2 ILE 12 -5.899 -9.995 0.883 95 HD11 ILE 12 3HD1 ILE 12 -7.083 -11.310 1.967 96 HD12 ILE 12 1HD1 ILE 12 -8.587 -10.389 1.996 97 HD13 ILE 12 2HD1 ILE 12 -8.193 -11.476 3.328 98 H LYS 13 HN LYS 13 -7.603 -5.785 2.445 99 HA LYS 13 HA LYS 13 -9.461 -4.783 3.226 100 HB2 LYS 13 2HB LYS 13 -9.523 -7.118 5.145 101 HB3 LYS 13 1HB LYS 13 -10.877 -6.054 4.769 102 HG2 LYS 13 2HG LYS 13 -10.762 -6.778 2.419 103 HG3 LYS 13 1HG LYS 13 -9.458 -7.885 2.846 104 HD2 LYS 13 2HD LYS 13 -10.999 -9.021 4.416 105 HD3 LYS 13 1HD LYS 13 -12.295 -7.956 3.862 106 HE2 LYS 13 2HE LYS 13 -11.920 -8.790 1.554 107 HE3 LYS 13 1HE LYS 13 -10.745 -9.936 2.199 108 HZ1 LYS 13 3HZ LYS 13 -13.631 -9.814 2.886 109 HZ2 LYS 13 1HZ LYS 13 -12.513 -10.898 3.564 110 HZ3 LYS 13 2HZ LYS 13 -12.885 -10.982 1.913 111 H SER 14 HN SER 14 -7.164 -3.679 4.134 112 HA SER 14 HA SER 14 -8.158 -2.427 6.565 113 HB2 SER 14 2HB SER 14 -5.295 -3.362 6.258 114 HB3 SER 14 1HB SER 14 -5.951 -2.458 7.615 115 HG SER 14 HG SER 14 -7.396 -4.701 7.103 116 H LYS 15 HN LYS 15 -7.322 -0.249 6.830 117 HA LYS 15 HA LYS 15 -6.249 0.814 4.319 118 HB2 LYS 15 2HB LYS 15 -7.193 3.017 5.037 119 HB3 LYS 15 1HB LYS 15 -8.379 1.792 4.643 120 HG2 LYS 15 2HG LYS 15 -7.630 1.997 7.484 121 HG3 LYS 15 1HG LYS 15 -8.504 3.370 6.803 122 HD2 LYS 15 2HD LYS 15 -10.144 1.623 5.882 123 HD3 LYS 15 1HD LYS 15 -9.376 0.502 7.009 124 HE2 LYS 15 2HE LYS 15 -9.906 2.034 8.859 125 HE3 LYS 15 1HE LYS 15 -10.708 3.113 7.720 126 HZ1 LYS 15 3HZ LYS 15 -11.528 0.338 8.407 127 HZ2 LYS 15 1HZ LYS 15 -12.257 1.287 7.205 128 HZ3 LYS 15 2HZ LYS 15 -12.328 1.771 8.826 129 H VAL 16 HN VAL 16 -4.419 1.859 4.280 130 HA VAL 16 HA VAL 16 -3.083 2.578 6.806 131 HB VAL 16 HB VAL 16 -0.941 1.717 5.875 132 HG11 VAL 16 1HG1 VAL 16 -1.379 -0.657 6.296 133 HG12 VAL 16 2HG1 VAL 16 -3.112 -0.354 6.163 134 HG13 VAL 16 3HG1 VAL 16 -2.188 0.377 7.476 135 HG21 VAL 16 3HG2 VAL 16 -1.474 1.742 3.514 136 HG22 VAL 16 1HG2 VAL 16 -2.722 0.518 3.752 137 HG23 VAL 16 2HG2 VAL 16 -1.025 0.108 4.002 138 H LYS 17 HN LYS 17 -1.196 3.991 6.426 139 HA LYS 17 HA LYS 17 -1.789 5.827 4.199 140 HB2 LYS 17 2HB LYS 17 -2.316 6.750 6.399 141 HB3 LYS 17 1HB LYS 17 -0.675 6.454 6.931 142 HG2 LYS 17 2HG LYS 17 -0.019 7.964 4.940 143 HG3 LYS 17 1HG LYS 17 -1.708 8.469 4.972 144 HD2 LYS 17 2HD LYS 17 -0.502 10.039 6.273 145 HD3 LYS 17 1HD LYS 17 -1.375 9.012 7.410 146 HE2 LYS 17 2HE LYS 17 0.604 7.754 7.894 147 HE3 LYS 17 1HE LYS 17 1.492 8.570 6.610 148 HZ1 LYS 17 3HZ LYS 17 1.266 10.649 7.846 149 HZ2 LYS 17 1HZ LYS 17 2.087 9.467 8.746 150 HZ3 LYS 17 2HZ LYS 17 0.471 9.826 9.096 151 H VAL 18 HN VAL 18 -0.134 6.672 3.056 152 HA VAL 18 HA VAL 18 2.320 5.167 3.040 153 HB VAL 18 HB VAL 18 1.569 7.599 1.401 154 HG11 VAL 18 1HG1 VAL 18 3.735 5.540 1.013 155 HG12 VAL 18 2HG1 VAL 18 3.963 7.236 1.444 156 HG13 VAL 18 3HG1 VAL 18 3.312 6.807 -0.140 157 HG21 VAL 18 3HG2 VAL 18 0.982 6.018 -0.357 158 HG22 VAL 18 1HG2 VAL 18 0.000 5.749 1.082 159 HG23 VAL 18 2HG2 VAL 18 1.347 4.670 0.719 160 H ILE 19 HN ILE 19 3.470 5.587 4.845 161 HA ILE 19 HA ILE 19 3.986 8.042 6.056 162 HB ILE 19 HB ILE 19 5.937 5.750 5.835 163 HG12 ILE 19 2HG1 ILE 19 3.736 6.238 7.848 164 HG13 ILE 19 1HG1 ILE 19 3.782 4.949 6.651 165 HG21 ILE 19 1HG2 ILE 19 5.667 7.937 7.895 166 HG22 ILE 19 2HG2 ILE 19 6.937 7.804 6.677 167 HG23 ILE 19 3HG2 ILE 19 6.816 6.598 7.959 168 HD11 ILE 19 3HD1 ILE 19 5.685 5.290 8.955 169 HD12 ILE 19 1HD1 ILE 19 5.742 4.002 7.752 170 HD13 ILE 19 2HD1 ILE 19 4.365 4.124 8.847 171 H GLY 20 HN GLY 20 5.937 6.293 3.674 172 HA2 GLY 20 2HA GLY 20 6.780 8.735 2.416 173 HA3 GLY 20 1HA GLY 20 8.055 7.948 3.337 174 H ILE 21 HN ILE 21 8.719 8.122 0.887 175 HA ILE 21 HA ILE 21 7.866 5.656 -0.482 176 HB ILE 21 HB ILE 21 9.022 8.164 -1.728 177 HG12 ILE 21 2HG1 ILE 21 6.167 7.154 -1.711 178 HG13 ILE 21 1HG1 ILE 21 6.764 8.541 -0.807 179 HG21 ILE 21 1HG2 ILE 21 8.334 7.155 -3.856 180 HG22 ILE 21 2HG2 ILE 21 7.809 5.708 -2.995 181 HG23 ILE 21 3HG2 ILE 21 9.515 6.154 -3.011 182 HD11 ILE 21 3HD1 ILE 21 7.308 9.659 -2.921 183 HD12 ILE 21 1HD1 ILE 21 5.596 9.258 -2.791 184 HD13 ILE 21 2HD1 ILE 21 6.656 8.275 -3.801 185 H VAL 22 HN VAL 22 9.508 4.463 -1.596 186 HA VAL 22 HA VAL 22 12.201 4.828 -0.491 187 HB VAL 22 HB VAL 22 11.061 2.421 -1.931 188 HG11 VAL 22 1HG1 VAL 22 13.484 2.621 -2.160 189 HG12 VAL 22 2HG1 VAL 22 13.054 1.263 -1.120 190 HG13 VAL 22 3HG1 VAL 22 13.643 2.766 -0.410 191 HG21 VAL 22 3HG2 VAL 22 11.552 2.846 1.017 192 HG22 VAL 22 1HG2 VAL 22 11.001 1.351 0.262 193 HG23 VAL 22 2HG2 VAL 22 9.973 2.783 0.232 194 HA PRO 23 HA PRO 23 12.514 6.888 -4.532 195 HB2 PRO 23 2HB PRO 23 14.978 7.976 -3.992 196 HB3 PRO 23 1HB PRO 23 13.440 8.700 -3.517 197 HG2 PRO 23 2HG PRO 23 15.323 7.026 -1.906 198 HG3 PRO 23 1HG PRO 23 14.444 8.492 -1.432 199 HD2 PRO 23 2HD PRO 23 13.605 6.065 -0.689 200 HD3 PRO 23 1HD PRO 23 12.452 7.345 -1.123 201 H GLU 24 HN GLU 24 14.846 7.292 -5.807 202 HA GLU 24 HA GLU 24 16.280 6.356 -7.287 203 HB2 GLU 24 2HB GLU 24 17.211 5.329 -5.118 204 HB3 GLU 24 1HB GLU 24 16.404 3.853 -5.630 205 HG2 GLU 24 2HG GLU 24 17.681 4.079 -7.804 206 HG3 GLU 24 1HG GLU 24 18.643 5.314 -6.990 207 H SER 25 HN SER 25 13.860 4.054 -6.097 208 HA SER 25 HA SER 25 13.890 2.240 -8.187 209 HB2 SER 25 2HB SER 25 12.625 2.075 -5.988 210 HB3 SER 25 1HB SER 25 11.386 3.082 -6.725 211 HG SER 25 HG SER 25 11.245 0.638 -6.842 212 H LYS 26 HN LYS 26 12.867 2.051 -10.115 213 HA LYS 26 HA LYS 26 11.936 4.379 -11.457 214 HB2 LYS 26 2HB LYS 26 11.365 2.844 -13.302 215 HB3 LYS 26 1HB LYS 26 13.004 2.596 -12.723 216 HG2 LYS 26 2HG LYS 26 10.718 0.893 -11.786 217 HG3 LYS 26 1HG LYS 26 11.606 0.537 -13.268 218 HD2 LYS 26 2HD LYS 26 13.679 0.359 -12.001 219 HD3 LYS 26 1HD LYS 26 12.824 0.788 -10.517 220 HE2 LYS 26 2HE LYS 26 11.492 -1.225 -10.663 221 HE3 LYS 26 1HE LYS 26 12.240 -1.637 -12.208 222 HZ1 LYS 26 3HZ LYS 26 13.679 -1.412 -9.619 223 HZ2 LYS 26 1HZ LYS 26 14.361 -1.852 -11.107 224 HZ3 LYS 26 2HZ LYS 26 13.220 -2.864 -10.366 225 H VAL 27 HN VAL 27 10.435 1.815 -9.629 226 HA VAL 27 HA VAL 27 7.777 2.464 -10.538 227 HB VAL 27 HB VAL 27 6.941 0.837 -9.007 228 HG11 VAL 27 1HG1 VAL 27 7.936 -0.073 -11.006 229 HG12 VAL 27 2HG1 VAL 27 8.236 -1.162 -9.651 230 HG13 VAL 27 3HG1 VAL 27 9.523 -0.109 -10.237 231 HG21 VAL 27 3HG2 VAL 27 8.357 -0.319 -7.371 232 HG22 VAL 27 1HG2 VAL 27 8.226 1.408 -7.036 233 HG23 VAL 27 2HG2 VAL 27 9.690 0.762 -7.779 234 H ARG 28 HN ARG 28 9.941 3.555 -8.100 235 HA ARG 28 HA ARG 28 8.243 4.864 -6.342 236 HB2 ARG 28 2HB ARG 28 10.545 4.896 -5.858 237 HB3 ARG 28 1HB ARG 28 10.967 5.499 -7.449 238 HG2 ARG 28 2HG ARG 28 9.386 7.227 -5.604 239 HG3 ARG 28 1HG ARG 28 11.122 7.036 -5.354 240 HD2 ARG 28 2HD ARG 28 9.697 8.133 -7.767 241 HD3 ARG 28 1HD ARG 28 10.841 8.960 -6.709 242 HE ARG 28 HE ARG 28 12.172 6.785 -7.818 243 HH11 ARG 28 1HH1 ARG 28 10.662 9.742 -8.926 244 HH12 ARG 28 2HH1 ARG 28 11.726 9.920 -10.296 245 HH21 ARG 28 1HH2 ARG 28 13.563 7.004 -9.627 246 HH22 ARG 28 2HH2 ARG 28 13.369 8.358 -10.694 247 H ARG 29 HN ARG 29 9.216 5.738 -9.608 248 HA ARG 29 HA ARG 29 7.874 8.256 -9.693 249 HB2 ARG 29 2HB ARG 29 9.732 7.563 -11.211 250 HB3 ARG 29 1HB ARG 29 8.643 6.413 -11.966 251 HG2 ARG 29 2HG ARG 29 7.202 8.294 -12.668 252 HG3 ARG 29 1HG ARG 29 8.386 9.413 -11.985 253 HD2 ARG 29 2HD ARG 29 10.106 8.399 -13.469 254 HD3 ARG 29 1HD ARG 29 8.834 7.440 -14.219 255 HE ARG 29 HE ARG 29 8.145 10.174 -14.333 256 HH11 ARG 29 1HH1 ARG 29 10.349 7.831 -15.718 257 HH12 ARG 29 2HH1 ARG 29 10.585 8.723 -17.192 258 HH21 ARG 29 1HH2 ARG 29 8.465 11.368 -16.282 259 HH22 ARG 29 2HH2 ARG 29 9.513 10.725 -17.516 260 H LYS 30 HN LYS 30 7.085 4.965 -10.611 261 HA LYS 30 HA LYS 30 4.625 5.231 -11.836 262 HB2 LYS 30 2HB LYS 30 5.778 3.122 -11.707 263 HB3 LYS 30 1HB LYS 30 5.680 3.114 -9.960 264 HG2 LYS 30 2HG LYS 30 4.093 1.563 -10.708 265 HG3 LYS 30 1HG LYS 30 3.180 2.990 -10.215 266 HD2 LYS 30 2HD LYS 30 2.868 3.655 -12.488 267 HD3 LYS 30 1HD LYS 30 3.986 2.412 -13.059 268 HE2 LYS 30 2HE LYS 30 1.367 1.899 -11.658 269 HE3 LYS 30 1HE LYS 30 1.635 1.779 -13.396 270 HZ1 LYS 30 3HZ LYS 30 3.088 -0.044 -13.094 271 HZ2 LYS 30 1HZ LYS 30 1.727 -0.368 -12.139 272 HZ3 LYS 30 2HZ LYS 30 3.166 0.174 -11.412 273 H ILE 31 HN ILE 31 5.325 4.865 -8.390 274 HA ILE 31 HA ILE 31 2.790 4.882 -7.305 275 HB ILE 31 HB ILE 31 5.199 6.313 -6.152 276 HG12 ILE 31 2HG1 ILE 31 4.328 3.453 -5.684 277 HG13 ILE 31 1HG1 ILE 31 5.583 3.910 -6.834 278 HG21 ILE 31 1HG2 ILE 31 4.142 5.822 -3.984 279 HG22 ILE 31 2HG2 ILE 31 2.742 5.166 -4.833 280 HG23 ILE 31 3HG2 ILE 31 3.149 6.874 -4.993 281 HD11 ILE 31 3HD1 ILE 31 6.899 4.862 -5.010 282 HD12 ILE 31 1HD1 ILE 31 6.544 3.156 -4.739 283 HD13 ILE 31 2HD1 ILE 31 5.643 4.393 -3.864 284 H MET 32 HN MET 32 4.826 7.739 -7.934 285 HA MET 32 HA MET 32 2.873 9.604 -7.093 286 HB2 MET 32 2HB MET 32 5.370 9.890 -8.751 287 HB3 MET 32 1HB MET 32 4.333 11.258 -8.374 288 HG2 MET 32 2HG MET 32 4.672 10.869 -5.995 289 HG3 MET 32 1HG MET 32 5.705 9.490 -6.366 290 HE1 MET 32 3HE MET 32 6.416 12.107 -4.534 291 HE2 MET 32 1HE MET 32 8.106 12.335 -4.990 292 HE3 MET 32 2HE MET 32 7.482 10.711 -4.702 293 H ASP 33 HN ASP 33 3.660 8.210 -10.222 294 HA ASP 33 HA ASP 33 1.987 9.886 -11.779 295 HB2 ASP 33 2HB ASP 33 3.714 8.486 -12.808 296 HB3 ASP 33 1HB ASP 33 2.869 7.031 -12.287 297 H MET 34 HN MET 34 1.475 6.888 -10.040 298 HA MET 34 HA MET 34 -1.145 6.347 -10.935 299 HB2 MET 34 2HB MET 34 0.642 4.949 -9.528 300 HB3 MET 34 1HB MET 34 -0.322 5.554 -8.187 301 HG2 MET 34 2HG MET 34 -1.063 3.355 -8.900 302 HG3 MET 34 1HG MET 34 -2.315 4.569 -9.148 303 HE1 MET 34 3HE MET 34 -2.381 1.674 -10.481 304 HE2 MET 34 1HE MET 34 -2.875 2.065 -12.129 305 HE3 MET 34 2HE MET 34 -3.633 2.885 -10.766 306 H GLY 35 HN GLY 35 0.121 8.523 -8.552 307 HA2 GLY 35 2HA GLY 35 -1.363 10.441 -8.085 308 HA3 GLY 35 1HA GLY 35 -2.652 9.270 -7.859 309 H ILE 36 HN ILE 36 0.225 8.092 -6.599 310 HA ILE 36 HA ILE 36 -0.652 8.832 -3.889 311 HB ILE 36 HB ILE 36 1.235 6.601 -4.664 312 HG12 ILE 36 2HG1 ILE 36 -1.688 6.336 -3.940 313 HG13 ILE 36 1HG1 ILE 36 -1.113 6.387 -5.602 314 HG21 ILE 36 1HG2 ILE 36 1.447 7.383 -2.366 315 HG22 ILE 36 2HG2 ILE 36 0.750 5.765 -2.416 316 HG23 ILE 36 3HG2 ILE 36 -0.285 7.162 -2.118 317 HD11 ILE 36 3HD1 ILE 36 -1.505 4.106 -4.860 318 HD12 ILE 36 1HD1 ILE 36 -0.356 4.333 -3.540 319 HD13 ILE 36 2HD1 ILE 36 0.203 4.375 -5.212 320 H VAL 37 HN VAL 37 0.684 9.972 -2.577 321 HA VAL 37 HA VAL 37 3.408 10.469 -3.554 322 HB VAL 37 HB VAL 37 3.045 12.879 -2.590 323 HG11 VAL 37 1HG1 VAL 37 2.383 13.646 -4.826 324 HG12 VAL 37 2HG1 VAL 37 1.906 12.001 -5.244 325 HG13 VAL 37 3HG1 VAL 37 3.598 12.370 -4.908 326 HG21 VAL 37 3HG2 VAL 37 0.223 12.078 -3.319 327 HG22 VAL 37 1HG2 VAL 37 0.767 13.725 -2.998 328 HG23 VAL 37 2HG2 VAL 37 0.798 12.518 -1.712 329 H ARG 38 HN ARG 38 1.808 11.945 -0.755 330 HA ARG 38 HA ARG 38 3.250 10.234 1.081 331 HB2 ARG 38 2HB ARG 38 4.987 11.829 0.466 332 HB3 ARG 38 1HB ARG 38 3.911 13.175 0.809 333 HG2 ARG 38 2HG ARG 38 3.919 12.638 3.160 334 HG3 ARG 38 1HG ARG 38 4.884 11.191 2.855 335 HD2 ARG 38 2HD ARG 38 5.782 13.996 2.210 336 HD3 ARG 38 1HD ARG 38 6.192 13.144 3.698 337 HE ARG 38 HE ARG 38 7.349 11.497 2.292 338 HH11 ARG 38 1HH1 ARG 38 6.647 14.636 0.908 339 HH12 ARG 38 2HH1 ARG 38 7.953 14.562 -0.243 340 HH21 ARG 38 1HH2 ARG 38 9.064 11.389 0.794 341 HH22 ARG 38 2HH2 ARG 38 9.349 12.726 -0.282 342 H GLY 39 HN GLY 39 1.880 9.850 2.671 343 HA2 GLY 39 2HA GLY 39 0.433 10.432 4.433 344 HA3 GLY 39 1HA GLY 39 0.206 12.014 3.696 345 H THR 40 HN THR 40 -0.038 9.963 1.208 346 HA THR 40 HA THR 40 -2.848 10.100 0.980 347 HB THR 40 HB THR 40 -1.148 8.090 -0.472 348 HG1 THR 40 1HG THR 40 -1.472 10.848 -1.157 349 HG21 THR 40 3HG2 THR 40 -2.703 8.600 -2.325 350 HG22 THR 40 1HG2 THR 40 -3.575 9.699 -1.259 351 HG23 THR 40 2HG2 THR 40 -3.533 7.973 -0.901 352 H GLU 41 HN GLU 41 -4.396 8.585 1.356 353 HA GLU 41 HA GLU 41 -3.614 6.359 3.084 354 HB2 GLU 41 2HB GLU 41 -6.176 7.947 2.884 355 HB3 GLU 41 1HB GLU 41 -5.977 6.525 3.889 356 HG2 GLU 41 2HG GLU 41 -4.398 7.589 5.276 357 HG3 GLU 41 1HG GLU 41 -4.198 8.923 4.141 358 H ILE 42 HN ILE 42 -4.042 4.365 2.501 359 HA ILE 42 HA ILE 42 -5.489 3.969 -0.035 360 HB ILE 42 HB ILE 42 -2.988 2.575 0.926 361 HG12 ILE 42 2HG1 ILE 42 -3.402 4.434 -1.429 362 HG13 ILE 42 1HG1 ILE 42 -2.626 4.878 0.087 363 HG21 ILE 42 1HG2 ILE 42 -4.574 2.178 -1.610 364 HG22 ILE 42 2HG2 ILE 42 -4.425 1.033 -0.277 365 HG23 ILE 42 3HG2 ILE 42 -3.012 1.437 -1.254 366 HD11 ILE 42 3HD1 ILE 42 -1.638 2.778 -1.827 367 HD12 ILE 42 1HD1 ILE 42 -0.848 3.284 -0.333 368 HD13 ILE 42 2HD1 ILE 42 -1.005 4.417 -1.677 369 H TYR 43 HN TYR 43 -6.940 2.333 -0.094 370 HA TYR 43 HA TYR 43 -7.287 0.780 2.372 371 HB2 TYR 43 2HB TYR 43 -9.205 2.142 1.444 372 HB3 TYR 43 1HB TYR 43 -9.225 1.048 0.064 373 HD1 TYR 43 1HD TYR 43 -9.217 0.856 3.790 374 HD2 TYR 43 2HD TYR 43 -10.762 -0.679 0.140 375 HE1 TYR 43 1HE TYR 43 -10.687 -0.651 5.055 376 HE2 TYR 43 2HE TYR 43 -12.235 -2.197 1.395 377 HH TYR 43 HH TYR 43 -12.362 -3.230 3.617 378 H ILE 44 HN ILE 44 -6.147 -1.054 2.283 379 HA ILE 44 HA ILE 44 -5.508 -2.389 -0.157 380 HB ILE 44 HB ILE 44 -5.326 -3.439 2.674 381 HG12 ILE 44 2HG1 ILE 44 -4.017 -1.403 2.423 382 HG13 ILE 44 1HG1 ILE 44 -2.937 -2.791 2.513 383 HG21 ILE 44 1HG2 ILE 44 -5.265 -5.220 1.012 384 HG22 ILE 44 2HG2 ILE 44 -3.683 -5.011 1.763 385 HG23 ILE 44 3HG2 ILE 44 -3.980 -4.381 0.143 386 HD11 ILE 44 3HD1 ILE 44 -2.191 -1.216 0.833 387 HD12 ILE 44 1HD1 ILE 44 -3.746 -1.333 0.009 388 HD13 ILE 44 2HD1 ILE 44 -2.680 -2.735 0.083 389 H GLU 45 HN GLU 45 -6.766 -3.691 -1.285 390 HA GLU 45 HA GLU 45 -9.280 -4.589 -0.130 391 HB2 GLU 45 2HB GLU 45 -9.356 -3.520 -2.310 392 HB3 GLU 45 1HB GLU 45 -8.199 -4.677 -2.950 393 HG2 GLU 45 2HG GLU 45 -9.815 -6.474 -2.663 394 HG3 GLU 45 1HG GLU 45 -10.974 -5.329 -1.989 395 H GLY 46 HN GLY 46 -6.820 -6.118 -2.212 396 HA2 GLY 46 2HA GLY 46 -6.719 -8.436 -0.493 397 HA3 GLY 46 1HA GLY 46 -7.540 -8.711 -2.024 398 H LYS 47 HN LYS 47 -5.403 -10.218 -1.598 399 HA LYS 47 HA LYS 47 -3.413 -9.055 -3.422 400 HB2 LYS 47 2HB LYS 47 -2.838 -10.859 -1.053 401 HB3 LYS 47 1HB LYS 47 -1.649 -10.301 -2.219 402 HG2 LYS 47 2HG LYS 47 -1.924 -8.026 -1.498 403 HG3 LYS 47 1HG LYS 47 -3.252 -8.484 -0.434 404 HD2 LYS 47 2HD LYS 47 -1.205 -8.165 0.836 405 HD3 LYS 47 1HD LYS 47 -1.713 -9.853 0.895 406 HE2 LYS 47 2HE LYS 47 -0.069 -10.438 -0.779 407 HE3 LYS 47 1HE LYS 47 0.389 -8.747 -0.962 408 HZ1 LYS 47 3HZ LYS 47 1.226 -8.725 1.270 409 HZ2 LYS 47 1HZ LYS 47 1.926 -10.030 0.449 410 HZ3 LYS 47 2HZ LYS 47 0.669 -10.297 1.558 411 H ALA 48 HN ALA 48 -2.586 -10.485 -4.969 412 HA ALA 48 HA ALA 48 -4.191 -12.676 -5.739 413 HB1 ALA 48 1HB ALA 48 -2.821 -11.444 -7.334 414 HB2 ALA 48 2HB ALA 48 -2.397 -13.156 -7.350 415 HB3 ALA 48 3HB ALA 48 -1.356 -11.999 -6.523 416 HA PRO 49 HA PRO 49 -2.923 -16.107 -3.316 417 HB2 PRO 49 2HB PRO 49 -2.117 -17.906 -5.311 418 HB3 PRO 49 1HB PRO 49 -3.739 -17.740 -4.637 419 HG2 PRO 49 2HG PRO 49 -2.611 -16.634 -7.159 420 HG3 PRO 49 1HG PRO 49 -4.256 -17.193 -6.808 421 HD2 PRO 49 2HD PRO 49 -3.666 -14.586 -6.978 422 HD3 PRO 49 1HD PRO 49 -4.859 -15.193 -5.810 423 H MET 50 HN MET 50 -0.680 -15.082 -5.831 424 HA MET 50 HA MET 50 1.580 -16.425 -4.631 425 HB2 MET 50 2HB MET 50 1.672 -14.264 -6.740 426 HB3 MET 50 1HB MET 50 2.900 -15.469 -6.387 427 HG2 MET 50 2HG MET 50 1.909 -16.199 -8.356 428 HG3 MET 50 1HG MET 50 1.174 -17.195 -7.101 429 HE1 MET 50 3HE MET 50 -1.694 -16.671 -9.757 430 HE2 MET 50 1HE MET 50 -0.677 -17.850 -8.931 431 HE3 MET 50 2HE MET 50 0.032 -16.750 -10.114 432 H GLY 51 HN GLY 51 -0.124 -13.691 -3.861 433 HA2 GLY 51 2HA GLY 51 0.390 -12.049 -2.281 434 HA3 GLY 51 1HA GLY 51 2.085 -12.513 -2.374 435 H ASP 52 HN ASP 52 1.313 -12.396 -5.434 436 HA ASP 52 HA ASP 52 1.571 -9.510 -5.827 437 HB2 ASP 52 2HB ASP 52 3.848 -10.160 -5.899 438 HB3 ASP 52 1HB ASP 52 3.483 -11.645 -6.766 439 HA PRO 53 HA PRO 53 1.246 -8.116 -7.035 440 HB2 PRO 53 2HB PRO 53 -0.590 -6.565 -8.192 441 HB3 PRO 53 1HB PRO 53 0.724 -7.284 -9.133 442 HG2 PRO 53 2HG PRO 53 -2.139 -8.095 -8.946 443 HG3 PRO 53 1HG PRO 53 -1.057 -8.107 -10.348 444 HD2 PRO 53 2HD PRO 53 -1.693 -10.310 -8.750 445 HD3 PRO 53 1HD PRO 53 -0.335 -10.207 -9.885 446 H ILE 54 HN ILE 54 -0.193 -6.183 -6.127 447 HA ILE 54 HA ILE 54 -2.109 -7.370 -4.225 448 HB ILE 54 HB ILE 54 -0.405 -4.889 -3.859 449 HG12 ILE 54 2HG1 ILE 54 0.489 -6.378 -1.897 450 HG13 ILE 54 1HG1 ILE 54 -0.109 -7.710 -2.878 451 HG21 ILE 54 1HG2 ILE 54 -1.235 -4.880 -1.558 452 HG22 ILE 54 2HG2 ILE 54 -2.280 -6.251 -1.931 453 HG23 ILE 54 3HG2 ILE 54 -2.548 -4.698 -2.722 454 HD11 ILE 54 3HD1 ILE 54 2.275 -7.287 -3.217 455 HD12 ILE 54 1HD1 ILE 54 1.901 -5.659 -3.780 456 HD13 ILE 54 2HD1 ILE 54 1.345 -7.060 -4.699 457 H ALA 55 HN ALA 55 -4.094 -6.388 -3.981 458 HA ALA 55 HA ALA 55 -4.769 -4.373 -6.001 459 HB1 ALA 55 1HB ALA 55 -6.116 -6.424 -5.965 460 HB2 ALA 55 2HB ALA 55 -7.088 -4.999 -5.600 461 HB3 ALA 55 3HB ALA 55 -6.587 -6.080 -4.300 462 H LEU 56 HN LEU 56 -4.487 -2.374 -5.286 463 HA LEU 56 HA LEU 56 -5.269 -1.701 -2.525 464 HB2 LEU 56 2HB LEU 56 -3.662 -0.044 -4.464 465 HB3 LEU 56 1HB LEU 56 -3.963 0.328 -2.788 466 HG LEU 56 HG LEU 56 -2.621 -1.771 -2.229 467 HD11 LEU 56 1HD1 LEU 56 -1.005 -2.491 -3.894 468 HD12 LEU 56 2HD1 LEU 56 -1.732 -1.412 -5.084 469 HD13 LEU 56 3HD1 LEU 56 -2.651 -2.781 -4.460 470 HD21 LEU 56 3HD2 LEU 56 -1.249 0.546 -3.583 471 HD22 LEU 56 1HD2 LEU 56 -0.515 -0.562 -2.424 472 HD23 LEU 56 2HD2 LEU 56 -1.814 0.517 -1.913 473 H ARG 57 HN ARG 57 -6.960 -0.349 -2.204 474 HA ARG 57 HA ARG 57 -8.246 0.748 -4.584 475 HB2 ARG 57 2HB ARG 57 -9.249 0.312 -1.786 476 HB3 ARG 57 1HB ARG 57 -10.125 1.269 -2.965 477 HG2 ARG 57 2HG ARG 57 -9.916 -0.826 -4.458 478 HG3 ARG 57 1HG ARG 57 -9.581 -1.657 -2.936 479 HD2 ARG 57 2HD ARG 57 -11.677 -0.880 -2.015 480 HD3 ARG 57 1HD ARG 57 -12.001 0.057 -3.471 481 HE ARG 57 HE ARG 57 -11.727 -2.873 -3.612 482 HH11 ARG 57 1HH1 ARG 57 -13.628 0.034 -4.074 483 HH12 ARG 57 2HH1 ARG 57 -14.878 -0.769 -4.976 484 HH21 ARG 57 1HH2 ARG 57 -13.323 -3.926 -4.801 485 HH22 ARG 57 2HH2 ARG 57 -14.710 -3.043 -5.371 486 H LEU 58 HN LEU 58 -7.947 2.753 -5.097 487 HA LEU 58 HA LEU 58 -7.468 4.734 -3.014 488 HB2 LEU 58 2HB LEU 58 -5.621 5.724 -4.365 489 HB3 LEU 58 1HB LEU 58 -5.245 4.172 -3.649 490 HG LEU 58 HG LEU 58 -6.045 3.321 -6.061 491 HD11 LEU 58 1HD1 LEU 58 -5.209 4.836 -7.799 492 HD12 LEU 58 2HD1 LEU 58 -4.920 6.073 -6.575 493 HD13 LEU 58 3HD1 LEU 58 -6.566 5.537 -6.915 494 HD21 LEU 58 3HD2 LEU 58 -3.313 4.416 -5.412 495 HD22 LEU 58 1HD2 LEU 58 -3.680 3.262 -6.696 496 HD23 LEU 58 2HD2 LEU 58 -3.918 2.810 -5.008 497 H ARG 59 HN ARG 59 -8.278 6.690 -3.431 498 HA ARG 59 HA ARG 59 -9.465 8.361 -4.392 499 HB2 ARG 59 2HB ARG 59 -7.634 8.010 -6.166 500 HB3 ARG 59 1HB ARG 59 -8.879 7.193 -7.101 501 HG2 ARG 59 2HG ARG 59 -10.237 9.212 -7.090 502 HG3 ARG 59 1HG ARG 59 -9.013 10.039 -6.123 503 HD2 ARG 59 2HD ARG 59 -8.724 8.988 -8.933 504 HD3 ARG 59 1HD ARG 59 -8.738 10.676 -8.419 505 HE ARG 59 HE ARG 59 -6.541 8.774 -8.178 506 HH11 ARG 59 1HH1 ARG 59 -7.802 11.963 -7.445 507 HH12 ARG 59 2HH1 ARG 59 -6.256 12.605 -6.988 508 HH21 ARG 59 1HH2 ARG 59 -4.522 9.615 -7.578 509 HH22 ARG 59 2HH2 ARG 59 -4.384 11.269 -7.061 510 H GLY 60 HN GLY 60 -10.403 5.206 -4.530 511 HA2 GLY 60 2HA GLY 60 -13.018 5.420 -4.248 512 HA3 GLY 60 1HA GLY 60 -12.891 5.722 -5.971 513 H TYR 61 HN TYR 61 -11.034 3.892 -6.796 514 HA TYR 61 HA TYR 61 -12.429 1.380 -6.163 515 HB2 TYR 61 2HB TYR 61 -12.169 0.750 -8.561 516 HB3 TYR 61 1HB TYR 61 -13.234 2.123 -8.296 517 HD1 TYR 61 2HD TYR 61 -12.370 4.441 -8.788 518 HD2 TYR 61 1HD TYR 61 -10.259 0.930 -9.935 519 HE1 TYR 61 2HE TYR 61 -11.072 5.758 -10.405 520 HE2 TYR 61 1HE TYR 61 -8.956 2.238 -11.557 521 HH TYR 61 HH TYR 61 -8.786 5.563 -11.529 522 H SER 62 HN SER 62 -11.142 -0.507 -7.323 523 HA SER 62 HA SER 62 -8.612 -0.529 -5.912 524 HB2 SER 62 2HB SER 62 -10.230 -2.360 -5.643 525 HB3 SER 62 1HB SER 62 -10.065 -2.753 -7.349 526 HG SER 62 HG SER 62 -8.770 -3.957 -5.673 527 H LEU 63 HN LEU 63 -6.685 -0.883 -6.724 528 HA LEU 63 HA LEU 63 -6.293 -1.216 -9.618 529 HB2 LEU 63 2HB LEU 63 -4.912 0.801 -7.839 530 HB3 LEU 63 1HB LEU 63 -4.255 0.294 -9.376 531 HG LEU 63 HG LEU 63 -5.277 2.355 -9.792 532 HD11 LEU 63 1HD1 LEU 63 -5.789 0.720 -11.492 533 HD12 LEU 63 2HD1 LEU 63 -7.137 1.842 -11.301 534 HD13 LEU 63 3HD1 LEU 63 -7.234 0.221 -10.614 535 HD21 LEU 63 3HD2 LEU 63 -6.553 2.554 -7.731 536 HD22 LEU 63 1HD2 LEU 63 -7.726 1.382 -8.331 537 HD23 LEU 63 2HD2 LEU 63 -7.550 2.943 -9.134 538 H SER 64 HN SER 64 -4.486 -2.502 -10.135 539 HA SER 64 HA SER 64 -3.399 -3.950 -7.851 540 HB2 SER 64 2HB SER 64 -2.603 -5.431 -9.907 541 HB3 SER 64 1HB SER 64 -4.233 -5.559 -9.249 542 HG SER 64 HG SER 64 -4.157 -5.339 -11.559 543 H LEU 65 HN LEU 65 -1.461 -3.461 -7.143 544 HA LEU 65 HA LEU 65 0.569 -2.515 -9.061 545 HB2 LEU 65 2HB LEU 65 0.175 -1.893 -6.141 546 HB3 LEU 65 1HB LEU 65 1.735 -1.682 -6.910 547 HG LEU 65 HG LEU 65 0.586 -0.125 -8.550 548 HD11 LEU 65 1HD1 LEU 65 -1.506 0.901 -7.826 549 HD12 LEU 65 2HD1 LEU 65 -1.616 -0.253 -6.497 550 HD13 LEU 65 3HD1 LEU 65 -1.716 -0.817 -8.165 551 HD21 LEU 65 3HD2 LEU 65 0.649 1.761 -7.006 552 HD22 LEU 65 1HD2 LEU 65 2.005 0.667 -6.732 553 HD23 LEU 65 2HD2 LEU 65 0.622 0.650 -5.637 554 H ARG 66 HN ARG 66 2.731 -3.324 -8.768 555 HA ARG 66 HA ARG 66 2.627 -6.147 -8.257 556 HB2 ARG 66 2HB ARG 66 4.980 -4.406 -9.002 557 HB3 ARG 66 1HB ARG 66 4.961 -6.162 -9.016 558 HG2 ARG 66 2HG ARG 66 3.352 -4.325 -10.774 559 HG3 ARG 66 1HG ARG 66 4.705 -5.349 -11.253 560 HD2 ARG 66 2HD ARG 66 2.036 -6.294 -10.223 561 HD3 ARG 66 1HD ARG 66 2.577 -6.341 -11.899 562 HE ARG 66 HE ARG 66 3.437 -8.086 -9.717 563 HH11 ARG 66 1HH1 ARG 66 3.926 -7.025 -13.023 564 HH12 ARG 66 2HH1 ARG 66 4.674 -8.513 -13.518 565 HH21 ARG 66 1HH2 ARG 66 4.399 -10.047 -10.378 566 HH22 ARG 66 2HH2 ARG 66 4.950 -10.231 -12.025 567 H LYS 67 HN LYS 67 4.173 -7.306 -6.979 568 HA LYS 67 HA LYS 67 4.200 -6.533 -4.280 569 HB2 LYS 67 2HB LYS 67 4.631 -8.843 -5.696 570 HB3 LYS 67 1HB LYS 67 6.245 -8.481 -5.106 571 HG2 LYS 67 2HG LYS 67 3.928 -8.457 -3.229 572 HG3 LYS 67 1HG LYS 67 4.668 -9.982 -3.712 573 HD2 LYS 67 2HD LYS 67 6.220 -7.672 -2.561 574 HD3 LYS 67 1HD LYS 67 5.545 -8.976 -1.582 575 HE2 LYS 67 2HE LYS 67 6.829 -10.585 -3.017 576 HE3 LYS 67 1HE LYS 67 7.622 -9.193 -3.754 577 HZ1 LYS 67 3HZ LYS 67 7.688 -9.871 -0.865 578 HZ2 LYS 67 1HZ LYS 67 8.484 -8.567 -1.599 579 HZ3 LYS 67 2HZ LYS 67 8.947 -10.160 -1.961 580 H SER 68 HN SER 68 6.577 -6.218 -6.846 581 HA SER 68 HA SER 68 8.707 -5.354 -5.161 582 HB2 SER 68 2HB SER 68 8.328 -4.985 -8.143 583 HB3 SER 68 1HB SER 68 9.840 -4.765 -7.258 584 HG SER 68 HG SER 68 10.037 -6.810 -7.853 585 H GLU 69 HN GLU 69 6.169 -3.685 -6.973 586 HA GLU 69 HA GLU 69 7.155 -1.040 -6.508 587 HB2 GLU 69 2HB GLU 69 4.292 -1.917 -7.004 588 HB3 GLU 69 1HB GLU 69 4.940 -0.296 -7.216 589 HG2 GLU 69 2HG GLU 69 6.362 -1.104 -9.032 590 HG3 GLU 69 1HG GLU 69 5.716 -2.728 -8.809 591 H ALA 70 HN ALA 70 4.787 -3.129 -4.929 592 HA ALA 70 HA ALA 70 4.052 -1.402 -2.842 593 HB1 ALA 70 1HB ALA 70 4.129 -4.416 -2.880 594 HB2 ALA 70 2HB ALA 70 2.789 -3.402 -3.414 595 HB3 ALA 70 3HB ALA 70 3.253 -3.423 -1.713 596 H LYS 71 HN LYS 71 6.916 -3.225 -3.376 597 HA LYS 71 HA LYS 71 7.858 -3.329 -0.689 598 HB2 LYS 71 2HB LYS 71 8.762 -4.768 -2.474 599 HB3 LYS 71 1HB LYS 71 9.405 -3.348 -3.287 600 HG2 LYS 71 2HG LYS 71 10.718 -2.924 -1.141 601 HG3 LYS 71 1HG LYS 71 10.288 -4.578 -0.703 602 HD2 LYS 71 2HD LYS 71 12.193 -5.083 -1.787 603 HD3 LYS 71 1HD LYS 71 11.178 -4.961 -3.222 604 HE2 LYS 71 2HE LYS 71 12.968 -2.820 -2.074 605 HE3 LYS 71 1HE LYS 71 13.214 -3.712 -3.571 606 HZ1 LYS 71 3HZ LYS 71 12.361 -1.573 -4.105 607 HZ2 LYS 71 1HZ LYS 71 11.086 -1.723 -3.005 608 HZ3 LYS 71 2HZ LYS 71 11.121 -2.685 -4.392 609 H ASP 72 HN ASP 72 8.026 -1.002 -3.285 610 HA ASP 72 HA ASP 72 9.989 0.636 -1.937 611 HB2 ASP 72 2HB ASP 72 8.556 0.788 -4.573 612 HB3 ASP 72 1HB ASP 72 9.466 2.161 -3.975 613 H ILE 73 HN ILE 73 7.051 0.124 -1.067 614 HA ILE 73 HA ILE 73 6.478 2.942 -0.414 615 HB ILE 73 HB ILE 73 4.406 0.766 -0.768 616 HG12 ILE 73 2HG1 ILE 73 5.016 3.104 -2.587 617 HG13 ILE 73 1HG1 ILE 73 5.449 1.431 -2.919 618 HG21 ILE 73 1HG2 ILE 73 3.747 2.439 0.844 619 HG22 ILE 73 2HG2 ILE 73 2.808 2.641 -0.634 620 HG23 ILE 73 3HG2 ILE 73 4.150 3.731 -0.285 621 HD11 ILE 73 3HD1 ILE 73 3.457 2.084 -4.138 622 HD12 ILE 73 1HD1 ILE 73 2.653 2.503 -2.626 623 HD13 ILE 73 2HD1 ILE 73 3.087 0.827 -2.958 624 H LEU 74 HN LEU 74 6.736 3.278 1.723 625 HA LEU 74 HA LEU 74 6.327 1.025 3.568 626 HB2 LEU 74 2HB LEU 74 7.678 3.688 4.041 627 HB3 LEU 74 1HB LEU 74 7.539 2.391 5.204 628 HG LEU 74 HG LEU 74 9.085 2.244 2.617 629 HD11 LEU 74 1HD1 LEU 74 10.134 3.731 4.232 630 HD12 LEU 74 2HD1 LEU 74 11.062 2.242 4.056 631 HD13 LEU 74 3HD1 LEU 74 10.035 2.480 5.469 632 HD21 LEU 74 3HD2 LEU 74 9.921 0.121 3.476 633 HD22 LEU 74 1HD2 LEU 74 8.167 0.078 3.298 634 HD23 LEU 74 2HD2 LEU 74 8.887 0.274 4.896 635 H VAL 75 HN VAL 75 4.593 1.024 4.897 636 HA VAL 75 HA VAL 75 3.043 3.521 5.107 637 HB VAL 75 HB VAL 75 0.950 2.184 4.907 638 HG11 VAL 75 1HG1 VAL 75 1.010 1.981 2.477 639 HG12 VAL 75 2HG1 VAL 75 2.771 2.064 2.503 640 HG13 VAL 75 3HG1 VAL 75 1.815 3.458 3.006 641 HG21 VAL 75 3HG2 VAL 75 2.832 0.005 4.014 642 HG22 VAL 75 1HG2 VAL 75 1.073 -0.042 3.888 643 HG23 VAL 75 2HG2 VAL 75 1.843 -0.000 5.475 644 H GLU 76 HN GLU 76 1.579 3.656 6.859 645 HA GLU 76 HA GLU 76 2.160 1.836 9.102 646 HB2 GLU 76 2HB GLU 76 1.631 3.770 10.603 647 HB3 GLU 76 1HB GLU 76 3.087 3.991 9.642 648 HG2 GLU 76 2HG GLU 76 1.815 5.380 8.068 649 HG3 GLU 76 1HG GLU 76 0.384 5.187 9.078 650 H VAL 77 HN VAL 77 0.392 1.443 10.551 651 HA VAL 77 HA VAL 77 -2.050 1.084 9.085 652 HB VAL 77 HB VAL 77 -1.194 -0.675 10.573 653 HG11 VAL 77 1HG1 VAL 77 -1.842 1.230 12.819 654 HG12 VAL 77 2HG1 VAL 77 -0.233 0.697 12.332 655 HG13 VAL 77 3HG1 VAL 77 -1.379 -0.462 13.004 656 HG21 VAL 77 3HG2 VAL 77 -3.575 -0.596 10.033 657 HG22 VAL 77 1HG2 VAL 77 -3.867 0.409 11.454 658 HG23 VAL 77 2HG2 VAL 77 -3.301 -1.251 11.647 659 H LEU 78 HN LEU 78 -3.882 2.218 9.220 660 HA LEU 78 HA LEU 78 -3.906 4.602 10.900 661 HB2 LEU 78 2HB LEU 78 -5.709 3.678 8.666 662 HB3 LEU 78 1HB LEU 78 -5.925 5.176 9.548 663 HG LEU 78 HG LEU 78 -3.482 4.500 7.913 664 HD11 LEU 78 1HD1 LEU 78 -4.368 6.076 6.278 665 HD12 LEU 78 2HD1 LEU 78 -5.830 6.266 7.248 666 HD13 LEU 78 3HD1 LEU 78 -5.460 4.710 6.506 667 HD21 LEU 78 3HD2 LEU 78 -2.949 6.860 8.172 668 HD22 LEU 78 1HD2 LEU 78 -3.072 6.074 9.746 669 HD23 LEU 78 2HD2 LEU 78 -4.389 7.093 9.163 670 H LEU 79 HN LEU 79 -4.974 1.491 11.034 671 HA LEU 79 HA LEU 79 -7.454 2.010 12.385 672 HB2 LEU 79 2HB LEU 79 -6.061 -0.523 11.571 673 HB3 LEU 79 1HB LEU 79 -7.546 -0.508 12.497 674 HG LEU 79 HG LEU 79 -7.231 0.680 9.741 675 HD11 LEU 79 1HD1 LEU 79 -7.044 -1.754 9.693 676 HD12 LEU 79 2HD1 LEU 79 -8.567 -1.218 8.984 677 HD13 LEU 79 3HD1 LEU 79 -8.543 -1.892 10.613 678 HD21 LEU 79 3HD2 LEU 79 -8.929 1.792 11.087 679 HD22 LEU 79 1HD2 LEU 79 -9.660 0.234 11.471 680 HD23 LEU 79 2HD2 LEU 79 -9.674 0.828 9.811 681 H GLU 80 HN GLU 80 -7.755 1.982 14.491 682 HA GLU 80 HA GLU 80 -7.523 1.590 16.716 683 HB2 GLU 80 2HB GLU 80 -6.830 -0.726 15.850 684 HB3 GLU 80 1HB GLU 80 -5.175 -0.201 16.117 685 HG2 GLU 80 2HG GLU 80 -5.832 0.259 18.503 686 HG3 GLU 80 1HG GLU 80 -7.344 -0.578 18.155 687 H HIS 81 HN HIS 81 -5.959 1.951 18.557 688 HA HIS 81 HA HIS 81 -3.957 3.956 17.873 689 HB2 HIS 81 2HB HIS 81 -4.922 2.869 20.533 690 HB3 HIS 81 1HB HIS 81 -3.652 4.077 20.376 691 HD1 HIS 81 1HD HIS 81 -7.355 3.623 19.768 692 HD2 HIS 81 2HD HIS 81 -4.519 6.655 20.045 693 HE1 HIS 81 1HE HIS 81 -8.659 5.775 19.811 694 HE2 HIS 81 2HE HIS 81 -6.933 7.576 20.177 695 H HIS 82 HN HIS 82 -4.192 0.683 18.139 696 HA HIS 82 HA HIS 82 -2.750 -1.039 18.053 697 HB2 HIS 82 2HB HIS 82 -1.657 0.497 16.355 698 HB3 HIS 82 1HB HIS 82 -0.542 0.978 17.630 699 HD1 HIS 82 1HD HIS 82 1.481 -0.025 16.369 700 HD2 HIS 82 2HD HIS 82 -1.498 -2.782 17.287 701 HE1 HIS 82 1HE HIS 82 2.488 -2.290 15.929 702 HE2 HIS 82 2HE HIS 82 0.601 -3.924 16.305 703 H HIS 83 HN HIS 83 -3.076 -1.597 20.192 704 HA HIS 83 HA HIS 83 -1.697 -0.394 22.345 705 HB2 HIS 83 2HB HIS 83 -2.514 -2.220 23.724 706 HB3 HIS 83 1HB HIS 83 -3.793 -1.652 22.663 707 HD1 HIS 83 1HD HIS 83 -2.423 -4.675 23.917 708 HD2 HIS 83 2HD HIS 83 -3.909 -3.470 20.221 709 HE1 HIS 83 1HE HIS 83 -3.011 -6.790 22.696 710 HE2 HIS 83 2HE HIS 83 -4.046 -6.034 20.526 711 H HIS 84 HN HIS 84 0.303 -0.477 22.866 712 HA HIS 84 HA HIS 84 2.419 -1.130 23.253 713 HB2 HIS 84 2HB HIS 84 1.484 -3.193 24.201 714 HB3 HIS 84 1HB HIS 84 1.482 -3.928 22.601 715 HD1 HIS 84 1HD HIS 84 3.749 -2.976 25.420 716 HD2 HIS 84 2HD HIS 84 4.008 -4.753 21.661 717 HE1 HIS 84 1HE HIS 84 6.068 -3.951 25.281 718 HE2 HIS 84 2HE HIS 84 6.181 -5.080 23.027 719 H HIS 85 HN HIS 85 3.869 -0.421 21.934 720 HA HIS 85 HA HIS 85 3.855 -1.038 19.112 721 HB2 HIS 85 2HB HIS 85 4.575 1.170 20.334 722 HB3 HIS 85 1HB HIS 85 6.113 0.341 20.534 723 HD1 HIS 85 1HD HIS 85 4.274 2.416 18.229 724 HD2 HIS 85 2HD HIS 85 7.282 -0.440 17.923 725 HE1 HIS 85 1HE HIS 85 5.321 2.771 15.968 726 HE2 HIS 85 2HE HIS 85 7.295 1.211 15.931 727 H HIS 86 HN HIS 86 4.691 -2.917 18.372 728 HA HIS 86 HA HIS 86 6.355 -4.569 19.964 729 HB2 HIS 86 2HB HIS 86 6.525 -6.047 18.025 730 HB3 HIS 86 1HB HIS 86 4.862 -5.547 18.281 731 HD1 HIS 86 1HD HIS 86 3.915 -5.658 15.980 732 HD2 HIS 86 2HD HIS 86 7.561 -3.656 16.069 733 HE1 HIS 86 1HE HIS 86 4.246 -4.737 13.668 734 HE2 HIS 86 2HE HIS 86 6.559 -3.740 13.689 Start of MODEL 18 1 H1 MET 1 H1 MET 1 9.917 -1.102 9.019 2 H2 MET 1 H2 MET 1 9.439 -2.541 9.772 3 H3 MET 1 H3 MET 1 11.056 -2.036 9.857 4 HA MET 1 HA MET 1 8.711 -0.740 11.123 5 HB2 MET 1 2HB MET 1 11.192 -2.070 12.236 6 HB3 MET 1 1HB MET 1 10.052 -1.150 13.207 7 HG2 MET 1 2HG MET 1 9.366 -3.616 11.624 8 HG3 MET 1 1HG MET 1 9.728 -3.587 13.349 9 HE1 MET 1 2HE MET 1 8.129 -2.613 15.202 10 HE2 MET 1 3HE MET 1 6.750 -1.574 14.836 11 HE3 MET 1 1HE MET 1 8.384 -1.042 14.446 12 H THR 2 HN THR 2 9.226 1.157 12.385 13 HA THR 2 HA THR 2 10.156 3.210 12.715 14 HB THR 2 HB THR 2 12.561 2.154 11.215 15 HG1 THR 2 1HG THR 2 12.940 2.648 13.853 16 HG21 THR 2 3HG2 THR 2 12.450 4.590 11.113 17 HG22 THR 2 1HG2 THR 2 13.746 4.078 12.194 18 HG23 THR 2 2HG2 THR 2 12.223 4.666 12.860 19 H LYS 3 HN LYS 3 9.196 4.788 11.691 20 HA LYS 3 HA LYS 3 8.288 6.088 10.082 21 HB2 LYS 3 2HB LYS 3 10.558 5.001 8.400 22 HB3 LYS 3 1HB LYS 3 9.479 6.295 7.894 23 HG2 LYS 3 2HG LYS 3 10.220 7.636 9.824 24 HG3 LYS 3 1HG LYS 3 11.345 6.349 10.257 25 HD2 LYS 3 2HD LYS 3 12.453 8.161 9.028 26 HD3 LYS 3 1HD LYS 3 12.518 6.634 8.148 27 HE2 LYS 3 2HE LYS 3 10.834 7.327 6.633 28 HE3 LYS 3 1HE LYS 3 10.404 8.712 7.634 29 HZ1 LYS 3 3HZ LYS 3 11.753 9.251 5.636 30 HZ2 LYS 3 1HZ LYS 3 13.049 8.401 6.322 31 HZ3 LYS 3 2HZ LYS 3 12.438 9.779 7.093 32 H GLY 4 HN GLY 4 7.602 3.234 10.488 33 HA2 GLY 4 2HA GLY 4 5.589 2.267 9.692 34 HA3 GLY 4 1HA GLY 4 5.882 3.016 8.129 35 H ILE 5 HN ILE 5 5.154 0.574 7.906 36 HA ILE 5 HA ILE 5 7.629 -0.971 7.465 37 HB ILE 5 HB ILE 5 6.298 -3.013 7.511 38 HG12 ILE 5 2HG1 ILE 5 3.954 -1.236 8.222 39 HG13 ILE 5 1HG1 ILE 5 4.184 -2.032 6.670 40 HG21 ILE 5 1HG2 ILE 5 5.706 -3.048 9.890 41 HG22 ILE 5 2HG2 ILE 5 5.823 -1.287 9.935 42 HG23 ILE 5 3HG2 ILE 5 7.256 -2.258 9.602 43 HD11 ILE 5 3HD1 ILE 5 3.801 -3.403 9.322 44 HD12 ILE 5 1HD1 ILE 5 4.040 -4.207 7.770 45 HD13 ILE 5 2HD1 ILE 5 2.594 -3.236 8.047 46 H GLY 6 HN GLY 6 7.214 -2.586 5.532 47 HA2 GLY 6 2HA GLY 6 6.601 -0.891 3.284 48 HA3 GLY 6 1HA GLY 6 7.122 -2.567 3.214 49 H LEU 7 HN LEU 7 4.889 -1.009 1.880 50 HA LEU 7 HA LEU 7 2.416 -1.942 2.849 51 HB2 LEU 7 2HB LEU 7 2.718 -0.096 1.223 52 HB3 LEU 7 1HB LEU 7 3.182 -1.268 0.006 53 HG LEU 7 HG LEU 7 0.940 -2.265 0.105 54 HD11 LEU 7 1HD1 LEU 7 0.402 -1.789 2.417 55 HD12 LEU 7 2HD1 LEU 7 -0.832 -1.108 1.356 56 HD13 LEU 7 3HD1 LEU 7 0.387 -0.059 2.082 57 HD21 LEU 7 3HD2 LEU 7 1.373 -0.517 -1.514 58 HD22 LEU 7 1HD2 LEU 7 0.988 0.720 -0.317 59 HD23 LEU 7 2HD2 LEU 7 -0.273 -0.369 -0.898 60 H ASN 8 HN ASN 8 4.903 -3.459 0.999 61 HA ASN 8 HA ASN 8 3.322 -5.657 0.058 62 HB2 ASN 8 2HB ASN 8 5.466 -6.648 -0.605 63 HB3 ASN 8 1HB ASN 8 5.354 -4.976 -1.135 64 HD21 ASN 8 1HD2 ASN 8 7.723 -6.552 -0.797 65 HD22 ASN 8 2HD2 ASN 8 8.692 -5.766 0.398 66 H GLU 9 HN GLU 9 4.677 -4.807 3.039 67 HA GLU 9 HA GLU 9 4.943 -7.536 4.000 68 HB2 GLU 9 2HB GLU 9 5.248 -4.942 5.526 69 HB3 GLU 9 1HB GLU 9 5.810 -6.527 6.015 70 HG2 GLU 9 2HG GLU 9 7.319 -6.522 4.043 71 HG3 GLU 9 1HG GLU 9 6.845 -4.852 3.754 72 H VAL 10 HN VAL 10 2.512 -5.385 3.504 73 HA VAL 10 HA VAL 10 0.935 -6.145 5.858 74 HB VAL 10 HB VAL 10 0.112 -4.235 3.664 75 HG11 VAL 10 1HG1 VAL 10 -1.363 -3.304 5.365 76 HG12 VAL 10 2HG1 VAL 10 -0.768 -4.482 6.538 77 HG13 VAL 10 3HG1 VAL 10 -1.677 -5.021 5.126 78 HG21 VAL 10 3HG2 VAL 10 2.224 -3.444 4.553 79 HG22 VAL 10 1HG2 VAL 10 1.608 -3.585 6.200 80 HG23 VAL 10 2HG2 VAL 10 0.907 -2.403 5.093 81 H GLU 11 HN GLU 11 -1.389 -6.813 5.399 82 HA GLU 11 HA GLU 11 -1.509 -8.394 2.928 83 HB2 GLU 11 2HB GLU 11 -0.999 -9.688 5.091 84 HB3 GLU 11 1HB GLU 11 -2.670 -9.362 5.532 85 HG2 GLU 11 2HG GLU 11 -3.483 -10.588 3.661 86 HG3 GLU 11 1HG GLU 11 -1.864 -10.735 2.980 87 H ILE 12 HN ILE 12 -4.040 -9.426 3.214 88 HA ILE 12 HA ILE 12 -5.454 -7.350 1.961 89 HB ILE 12 HB ILE 12 -7.334 -8.940 1.875 90 HG12 ILE 12 2HG1 ILE 12 -5.513 -10.705 3.534 91 HG13 ILE 12 1HG1 ILE 12 -7.010 -9.970 4.096 92 HG21 ILE 12 1HG2 ILE 12 -4.634 -10.108 1.222 93 HG22 ILE 12 2HG2 ILE 12 -5.576 -9.021 0.201 94 HG23 ILE 12 3HG2 ILE 12 -6.172 -10.645 0.548 95 HD11 ILE 12 3HD1 ILE 12 -8.254 -11.288 2.445 96 HD12 ILE 12 1HD1 ILE 12 -7.346 -12.302 3.567 97 HD13 ILE 12 2HD1 ILE 12 -6.744 -12.040 1.930 98 H LYS 13 HN LYS 13 -7.400 -6.357 2.451 99 HA LYS 13 HA LYS 13 -9.023 -5.364 3.649 100 HB2 LYS 13 2HB LYS 13 -8.629 -7.730 5.485 101 HB3 LYS 13 1HB LYS 13 -9.957 -6.582 5.609 102 HG2 LYS 13 2HG LYS 13 -10.689 -7.197 3.355 103 HG3 LYS 13 1HG LYS 13 -9.365 -8.358 3.253 104 HD2 LYS 13 2HD LYS 13 -10.291 -9.594 5.143 105 HD3 LYS 13 1HD LYS 13 -11.608 -8.423 5.272 106 HE2 LYS 13 2HE LYS 13 -12.352 -9.015 3.018 107 HE3 LYS 13 1HE LYS 13 -11.034 -10.179 2.885 108 HZ1 LYS 13 3HZ LYS 13 -13.294 -10.291 4.812 109 HZ2 LYS 13 1HZ LYS 13 -12.001 -11.389 4.768 110 HZ3 LYS 13 2HZ LYS 13 -13.074 -11.289 3.458 111 H SER 14 HN SER 14 -6.181 -4.751 4.160 112 HA SER 14 HA SER 14 -6.366 -3.736 6.898 113 HB2 SER 14 2HB SER 14 -3.973 -3.770 5.050 114 HB3 SER 14 1HB SER 14 -3.971 -3.345 6.760 115 HG SER 14 HG SER 14 -4.212 -5.856 5.537 116 H LYS 15 HN LYS 15 -5.931 -1.550 7.341 117 HA LYS 15 HA LYS 15 -6.162 0.268 5.043 118 HB2 LYS 15 2HB LYS 15 -8.292 0.215 6.237 119 HB3 LYS 15 1HB LYS 15 -7.473 0.563 7.752 120 HG2 LYS 15 2HG LYS 15 -6.946 2.773 7.058 121 HG3 LYS 15 1HG LYS 15 -7.437 2.433 5.396 122 HD2 LYS 15 2HD LYS 15 -9.741 2.154 6.105 123 HD3 LYS 15 1HD LYS 15 -9.276 2.401 7.788 124 HE2 LYS 15 2HE LYS 15 -8.838 4.459 5.637 125 HE3 LYS 15 1HE LYS 15 -10.304 4.386 6.612 126 HZ1 LYS 15 3HZ LYS 15 -8.842 4.582 8.601 127 HZ2 LYS 15 1HZ LYS 15 -8.851 5.953 7.600 128 HZ3 LYS 15 2HZ LYS 15 -7.540 4.889 7.556 129 H VAL 16 HN VAL 16 -4.341 1.298 4.832 130 HA VAL 16 HA VAL 16 -2.820 2.085 7.238 131 HB VAL 16 HB VAL 16 -0.730 1.600 5.991 132 HG11 VAL 16 1HG1 VAL 16 -1.597 -0.027 7.585 133 HG12 VAL 16 2HG1 VAL 16 -0.810 -0.837 6.230 134 HG13 VAL 16 3HG1 VAL 16 -2.571 -0.770 6.314 135 HG21 VAL 16 3HG2 VAL 16 -1.603 1.740 3.723 136 HG22 VAL 16 1HG2 VAL 16 -2.584 0.301 3.996 137 HG23 VAL 16 2HG2 VAL 16 -0.824 0.180 3.991 138 H LYS 17 HN LYS 17 -1.022 3.666 6.555 139 HA LYS 17 HA LYS 17 -2.015 5.479 4.461 140 HB2 LYS 17 2HB LYS 17 -2.631 6.470 6.555 141 HB3 LYS 17 1HB LYS 17 -1.029 6.202 7.207 142 HG2 LYS 17 2HG LYS 17 -0.093 7.826 5.678 143 HG3 LYS 17 1HG LYS 17 -1.665 8.036 4.908 144 HD2 LYS 17 2HD LYS 17 -1.076 8.641 7.803 145 HD3 LYS 17 1HD LYS 17 -1.100 9.841 6.508 146 HE2 LYS 17 2HE LYS 17 -3.425 9.405 6.080 147 HE3 LYS 17 1HE LYS 17 -3.427 8.075 7.232 148 HZ1 LYS 17 3HZ LYS 17 -4.393 9.930 8.298 149 HZ2 LYS 17 1HZ LYS 17 -3.137 10.966 7.812 150 HZ3 LYS 17 2HZ LYS 17 -2.840 9.754 8.964 151 H VAL 18 HN VAL 18 -0.527 6.452 3.240 152 HA VAL 18 HA VAL 18 2.043 5.205 3.082 153 HB VAL 18 HB VAL 18 1.025 7.615 1.565 154 HG11 VAL 18 1HG1 VAL 18 2.732 7.037 -0.084 155 HG12 VAL 18 2HG1 VAL 18 3.284 5.714 0.945 156 HG13 VAL 18 3HG1 VAL 18 3.455 7.383 1.488 157 HG21 VAL 18 3HG2 VAL 18 -0.446 5.706 1.242 158 HG22 VAL 18 1HG2 VAL 18 0.938 4.692 0.830 159 HG23 VAL 18 2HG2 VAL 18 0.480 6.031 -0.223 160 H ILE 19 HN ILE 19 3.201 5.686 4.896 161 HA ILE 19 HA ILE 19 3.694 8.248 5.947 162 HB ILE 19 HB ILE 19 5.520 5.840 5.957 163 HG12 ILE 19 2HG1 ILE 19 3.337 5.356 6.956 164 HG13 ILE 19 1HG1 ILE 19 4.595 5.401 8.189 165 HG21 ILE 19 1HG2 ILE 19 6.557 6.875 7.924 166 HG22 ILE 19 2HG2 ILE 19 5.532 8.293 7.710 167 HG23 ILE 19 3HG2 ILE 19 6.733 7.880 6.486 168 HD11 ILE 19 3HD1 ILE 19 2.627 7.597 7.586 169 HD12 ILE 19 1HD1 ILE 19 3.897 7.659 8.809 170 HD13 ILE 19 2HD1 ILE 19 2.581 6.496 8.963 171 H GLY 20 HN GLY 20 5.403 6.313 3.521 172 HA2 GLY 20 2HA GLY 20 6.223 8.629 2.100 173 HA3 GLY 20 1HA GLY 20 7.554 7.985 3.042 174 H ILE 21 HN ILE 21 7.924 8.109 0.487 175 HA ILE 21 HA ILE 21 7.739 5.329 -0.452 176 HB ILE 21 HB ILE 21 7.620 7.797 -2.201 177 HG12 ILE 21 2HG1 ILE 21 5.377 5.904 -1.464 178 HG13 ILE 21 1HG1 ILE 21 5.573 7.533 -0.827 179 HG21 ILE 21 1HG2 ILE 21 8.599 5.857 -3.311 180 HG22 ILE 21 2HG2 ILE 21 7.012 6.220 -3.986 181 HG23 ILE 21 3HG2 ILE 21 7.203 4.878 -2.859 182 HD11 ILE 21 3HD1 ILE 21 5.111 6.821 -3.713 183 HD12 ILE 21 1HD1 ILE 21 5.280 8.449 -3.059 184 HD13 ILE 21 2HD1 ILE 21 3.902 7.450 -2.592 185 H VAL 22 HN VAL 22 9.582 4.784 -1.933 186 HA VAL 22 HA VAL 22 12.002 6.119 -0.927 187 HB VAL 22 HB VAL 22 11.801 3.422 -2.267 188 HG11 VAL 22 1HG1 VAL 22 14.034 4.715 -0.708 189 HG12 VAL 22 2HG1 VAL 22 14.000 4.444 -2.450 190 HG13 VAL 22 3HG1 VAL 22 14.043 3.068 -1.347 191 HG21 VAL 22 3HG2 VAL 22 12.051 2.468 -0.021 192 HG22 VAL 22 1HG2 VAL 22 10.566 3.408 -0.169 193 HG23 VAL 22 2HG2 VAL 22 11.960 4.088 0.670 194 HA PRO 23 HA PRO 23 11.825 7.838 -5.167 195 HB2 PRO 23 2HB PRO 23 13.708 9.767 -4.639 196 HB3 PRO 23 1HB PRO 23 11.976 9.961 -4.355 197 HG2 PRO 23 2HG PRO 23 14.146 9.262 -2.426 198 HG3 PRO 23 1HG PRO 23 12.753 10.338 -2.206 199 HD2 PRO 23 2HD PRO 23 12.798 7.842 -1.204 200 HD3 PRO 23 1HD PRO 23 11.301 8.578 -1.811 201 H GLU 24 HN GLU 24 13.617 8.389 -6.722 202 HA GLU 24 HA GLU 24 15.398 7.743 -7.965 203 HB2 GLU 24 2HB GLU 24 16.571 8.253 -5.720 204 HB3 GLU 24 1HB GLU 24 16.668 6.509 -5.539 205 HG2 GLU 24 2HG GLU 24 18.002 6.320 -7.516 206 HG3 GLU 24 1HG GLU 24 17.777 8.032 -7.881 207 H SER 25 HN SER 25 13.446 5.600 -6.294 208 HA SER 25 HA SER 25 14.429 3.165 -7.418 209 HB2 SER 25 2HB SER 25 12.097 4.066 -5.819 210 HB3 SER 25 1HB SER 25 11.870 2.627 -6.795 211 HG SER 25 HG SER 25 12.681 2.364 -4.562 212 H LYS 26 HN LYS 26 13.286 1.932 -9.054 213 HA LYS 26 HA LYS 26 12.492 3.584 -11.263 214 HB2 LYS 26 2HB LYS 26 12.240 1.485 -12.493 215 HB3 LYS 26 1HB LYS 26 13.770 1.533 -11.631 216 HG2 LYS 26 2HG LYS 26 12.898 0.066 -9.923 217 HG3 LYS 26 1HG LYS 26 11.303 0.095 -10.677 218 HD2 LYS 26 2HD LYS 26 12.288 -0.916 -12.706 219 HD3 LYS 26 1HD LYS 26 13.834 -1.036 -11.863 220 HE2 LYS 26 2HE LYS 26 12.871 -2.521 -10.222 221 HE3 LYS 26 1HE LYS 26 11.265 -2.303 -10.917 222 HZ1 LYS 26 3HZ LYS 26 12.124 -4.357 -11.691 223 HZ2 LYS 26 1HZ LYS 26 13.589 -3.650 -12.175 224 HZ3 LYS 26 2HZ LYS 26 12.155 -3.281 -13.000 225 H VAL 27 HN VAL 27 10.844 1.668 -8.850 226 HA VAL 27 HA VAL 27 8.292 1.804 -10.186 227 HB VAL 27 HB VAL 27 7.386 0.793 -8.117 228 HG11 VAL 27 1HG1 VAL 27 9.835 -0.564 -9.242 229 HG12 VAL 27 2HG1 VAL 27 8.204 -0.629 -9.909 230 HG13 VAL 27 3HG1 VAL 27 8.544 -1.362 -8.342 231 HG21 VAL 27 3HG2 VAL 27 8.917 0.059 -6.358 232 HG22 VAL 27 1HG2 VAL 27 8.913 1.817 -6.506 233 HG23 VAL 27 2HG2 VAL 27 10.251 0.878 -7.171 234 H ARG 28 HN ARG 28 10.080 3.704 -7.951 235 HA ARG 28 HA ARG 28 8.165 5.215 -6.649 236 HB2 ARG 28 2HB ARG 28 10.400 5.578 -6.038 237 HB3 ARG 28 1HB ARG 28 10.914 5.816 -7.698 238 HG2 ARG 28 2HG ARG 28 11.052 7.916 -6.698 239 HG3 ARG 28 1HG ARG 28 9.577 7.965 -7.659 240 HD2 ARG 28 2HD ARG 28 8.211 7.773 -5.744 241 HD3 ARG 28 1HD ARG 28 9.576 7.305 -4.726 242 HE ARG 28 HE ARG 28 10.187 9.808 -5.725 243 HH11 ARG 28 1HH1 ARG 28 7.632 8.457 -3.763 244 HH12 ARG 28 2HH1 ARG 28 7.412 9.899 -2.821 245 HH21 ARG 28 1HH2 ARG 28 9.910 11.705 -4.512 246 HH22 ARG 28 2HH2 ARG 28 8.682 11.765 -3.273 247 H ARG 29 HN ARG 29 9.502 5.640 -9.892 248 HA ARG 29 HA ARG 29 8.136 7.962 -10.626 249 HB2 ARG 29 2HB ARG 29 9.956 7.162 -11.962 250 HB3 ARG 29 1HB ARG 29 9.156 5.626 -12.240 251 HG2 ARG 29 2HG ARG 29 9.079 6.995 -14.226 252 HG3 ARG 29 1HG ARG 29 7.454 6.760 -13.584 253 HD2 ARG 29 2HD ARG 29 7.572 8.979 -12.533 254 HD3 ARG 29 1HD ARG 29 9.179 9.207 -13.223 255 HE ARG 29 HE ARG 29 7.760 8.707 -15.421 256 HH11 ARG 29 1HH1 ARG 29 7.087 10.848 -12.718 257 HH12 ARG 29 2HH1 ARG 29 6.129 11.947 -13.667 258 HH21 ARG 29 1HH2 ARG 29 6.515 10.168 -16.670 259 HH22 ARG 29 2HH2 ARG 29 5.809 11.561 -15.902 260 H LYS 30 HN LYS 30 7.232 4.565 -10.939 261 HA LYS 30 HA LYS 30 4.822 4.953 -12.337 262 HB2 LYS 30 2HB LYS 30 5.991 2.777 -12.151 263 HB3 LYS 30 1HB LYS 30 5.568 2.713 -10.450 264 HG2 LYS 30 2HG LYS 30 3.203 2.652 -11.020 265 HG3 LYS 30 1HG LYS 30 3.608 2.738 -12.737 266 HD2 LYS 30 2HD LYS 30 4.747 0.608 -12.608 267 HD3 LYS 30 1HD LYS 30 4.482 0.542 -10.863 268 HE2 LYS 30 2HE LYS 30 2.075 0.472 -11.223 269 HE3 LYS 30 1HE LYS 30 2.323 0.571 -12.967 270 HZ1 LYS 30 3HZ LYS 30 3.401 -1.549 -12.942 271 HZ2 LYS 30 1HZ LYS 30 1.907 -1.702 -12.155 272 HZ3 LYS 30 2HZ LYS 30 3.342 -1.631 -11.248 273 H ILE 31 HN ILE 31 5.491 4.510 -8.889 274 HA ILE 31 HA ILE 31 2.869 4.541 -7.944 275 HB ILE 31 HB ILE 31 5.362 5.540 -6.555 276 HG12 ILE 31 2HG1 ILE 31 4.020 2.831 -6.408 277 HG13 ILE 31 1HG1 ILE 31 5.426 3.183 -7.408 278 HG21 ILE 31 1HG2 ILE 31 4.138 5.077 -4.473 279 HG22 ILE 31 2HG2 ILE 31 2.693 4.706 -5.416 280 HG23 ILE 31 3HG2 ILE 31 3.365 6.337 -5.433 281 HD11 ILE 31 3HD1 ILE 31 5.304 3.380 -4.408 282 HD12 ILE 31 1HD1 ILE 31 6.713 3.722 -5.411 283 HD13 ILE 31 2HD1 ILE 31 6.060 2.085 -5.338 284 H MET 32 HN MET 32 5.127 7.258 -8.393 285 HA MET 32 HA MET 32 3.338 9.222 -7.383 286 HB2 MET 32 2HB MET 32 5.691 9.557 -9.256 287 HB3 MET 32 1HB MET 32 4.869 10.861 -8.411 288 HG2 MET 32 2HG MET 32 6.388 8.602 -7.133 289 HG3 MET 32 1HG MET 32 6.946 10.262 -7.315 290 HE1 MET 32 3HE MET 32 4.463 12.201 -4.967 291 HE2 MET 32 1HE MET 32 4.276 11.907 -6.696 292 HE3 MET 32 2HE MET 32 5.856 12.338 -6.041 293 H ASP 33 HN ASP 33 3.968 7.913 -10.578 294 HA ASP 33 HA ASP 33 2.390 9.736 -12.061 295 HB2 ASP 33 2HB ASP 33 4.031 8.329 -13.173 296 HB3 ASP 33 1HB ASP 33 3.191 6.873 -12.653 297 H MET 34 HN MET 34 1.705 6.649 -10.506 298 HA MET 34 HA MET 34 -0.964 6.351 -11.311 299 HB2 MET 34 2HB MET 34 0.455 5.470 -8.795 300 HB3 MET 34 1HB MET 34 -1.194 5.007 -9.182 301 HG2 MET 34 2HG MET 34 1.211 4.400 -10.884 302 HG3 MET 34 1HG MET 34 0.474 3.286 -9.736 303 HE1 MET 34 3HE MET 34 -3.085 2.786 -11.330 304 HE2 MET 34 1HE MET 34 -2.605 3.969 -10.115 305 HE3 MET 34 2HE MET 34 -2.010 2.311 -10.014 306 H GLY 35 HN GLY 35 0.488 8.246 -8.735 307 HA2 GLY 35 2HA GLY 35 -0.652 10.346 -8.223 308 HA3 GLY 35 1HA GLY 35 -2.166 9.458 -8.290 309 H ILE 36 HN ILE 36 0.357 7.743 -6.783 310 HA ILE 36 HA ILE 36 -0.960 8.103 -4.208 311 HB ILE 36 HB ILE 36 1.354 6.281 -4.842 312 HG12 ILE 36 2HG1 ILE 36 -1.590 5.597 -4.806 313 HG13 ILE 36 1HG1 ILE 36 -0.648 5.845 -6.270 314 HG21 ILE 36 1HG2 ILE 36 -0.651 6.285 -2.591 315 HG22 ILE 36 2HG2 ILE 36 1.054 6.719 -2.471 316 HG23 ILE 36 3HG2 ILE 36 0.591 5.059 -2.848 317 HD11 ILE 36 3HD1 ILE 36 -0.170 3.710 -4.205 318 HD12 ILE 36 1HD1 ILE 36 0.769 3.948 -5.679 319 HD13 ILE 36 2HD1 ILE 36 -0.930 3.481 -5.780 320 H VAL 37 HN VAL 37 -0.195 9.320 -2.652 321 HA VAL 37 HA VAL 37 2.621 10.141 -2.693 322 HB VAL 37 HB VAL 37 1.999 12.459 -2.098 323 HG11 VAL 37 1HG1 VAL 37 2.529 11.952 -4.402 324 HG12 VAL 37 2HG1 VAL 37 1.253 13.168 -4.326 325 HG13 VAL 37 3HG1 VAL 37 0.854 11.493 -4.710 326 HG21 VAL 37 3HG2 VAL 37 -0.814 11.586 -2.749 327 HG22 VAL 37 1HG2 VAL 37 -0.296 13.242 -2.441 328 HG23 VAL 37 2HG2 VAL 37 -0.208 12.038 -1.156 329 H ARG 38 HN ARG 38 3.119 11.388 -0.584 330 HA ARG 38 HA ARG 38 2.632 9.694 1.600 331 HB2 ARG 38 2HB ARG 38 4.627 11.031 1.532 332 HB3 ARG 38 1HB ARG 38 3.699 12.517 1.449 333 HG2 ARG 38 2HG ARG 38 3.305 10.786 3.828 334 HG3 ARG 38 1HG ARG 38 4.827 11.672 3.693 335 HD2 ARG 38 2HD ARG 38 3.613 13.767 3.471 336 HD3 ARG 38 1HD ARG 38 2.078 12.904 3.513 337 HE ARG 38 HE ARG 38 2.477 12.406 5.822 338 HH11 ARG 38 1HH1 ARG 38 4.800 14.596 4.394 339 HH12 ARG 38 2HH1 ARG 38 5.202 15.362 5.904 340 HH21 ARG 38 1HH2 ARG 38 2.999 13.378 7.807 341 HH22 ARG 38 2HH2 ARG 38 4.176 14.663 7.859 342 H GLY 39 HN GLY 39 1.157 9.682 3.184 343 HA2 GLY 39 2HA GLY 39 -0.431 10.647 4.642 344 HA3 GLY 39 1HA GLY 39 -0.627 11.983 3.521 345 H THR 40 HN THR 40 -0.741 9.615 1.423 346 HA THR 40 HA THR 40 -3.595 9.556 1.298 347 HB THR 40 HB THR 40 -1.780 7.721 -0.232 348 HG1 THR 40 1HG THR 40 -0.893 9.673 -0.696 349 HG21 THR 40 3HG2 THR 40 -3.503 7.925 -1.965 350 HG22 THR 40 1HG2 THR 40 -4.419 9.015 -0.923 351 HG23 THR 40 2HG2 THR 40 -4.189 7.331 -0.452 352 H GLU 41 HN GLU 41 -4.971 7.879 1.786 353 HA GLU 41 HA GLU 41 -3.888 5.795 3.499 354 HB2 GLU 41 2HB GLU 41 -6.730 6.677 2.974 355 HB3 GLU 41 1HB GLU 41 -6.276 5.369 4.045 356 HG2 GLU 41 2HG GLU 41 -4.878 7.090 5.299 357 HG3 GLU 41 1HG GLU 41 -5.759 8.301 4.367 358 H ILE 42 HN ILE 42 -3.974 3.696 3.022 359 HA ILE 42 HA ILE 42 -4.880 3.018 0.305 360 HB ILE 42 HB ILE 42 -2.527 1.933 1.857 361 HG12 ILE 42 2HG1 ILE 42 -2.120 4.119 0.842 362 HG13 ILE 42 1HG1 ILE 42 -1.186 2.869 0.025 363 HG21 ILE 42 1HG2 ILE 42 -2.049 0.547 -0.102 364 HG22 ILE 42 2HG2 ILE 42 -3.537 1.110 -0.865 365 HG23 ILE 42 3HG2 ILE 42 -3.612 0.139 0.605 366 HD11 ILE 42 3HD1 ILE 42 -2.854 2.836 -1.777 367 HD12 ILE 42 1HD1 ILE 42 -2.109 4.421 -1.577 368 HD13 ILE 42 2HD1 ILE 42 -3.737 4.129 -0.966 369 H TYR 43 HN TYR 43 -6.593 1.757 0.345 370 HA TYR 43 HA TYR 43 -6.998 -0.099 2.565 371 HB2 TYR 43 2HB TYR 43 -8.965 1.159 1.999 372 HB3 TYR 43 1HB TYR 43 -8.790 0.779 0.290 373 HD1 TYR 43 1HD TYR 43 -9.306 -0.907 3.587 374 HD2 TYR 43 2HD TYR 43 -10.025 -0.956 -0.606 375 HE1 TYR 43 1HE TYR 43 -10.773 -2.863 3.864 376 HE2 TYR 43 2HE TYR 43 -11.493 -2.907 -0.344 377 HH TYR 43 HH TYR 43 -11.896 -4.724 1.195 378 H ILE 44 HN ILE 44 -6.249 -2.092 2.389 379 HA ILE 44 HA ILE 44 -5.352 -3.135 -0.132 380 HB ILE 44 HB ILE 44 -5.672 -4.698 2.430 381 HG12 ILE 44 2HG1 ILE 44 -4.349 -2.678 2.885 382 HG13 ILE 44 1HG1 ILE 44 -3.339 -4.118 2.936 383 HG21 ILE 44 1HG2 ILE 44 -3.889 -5.049 0.020 384 HG22 ILE 44 2HG2 ILE 44 -5.277 -6.047 0.458 385 HG23 ILE 44 3HG2 ILE 44 -3.837 -6.044 1.475 386 HD11 ILE 44 3HD1 ILE 44 -2.495 -3.609 0.708 387 HD12 ILE 44 1HD1 ILE 44 -2.217 -2.271 1.823 388 HD13 ILE 44 2HD1 ILE 44 -3.524 -2.178 0.642 389 H GLU 45 HN GLU 45 -6.902 -3.591 -1.563 390 HA GLU 45 HA GLU 45 -9.523 -4.433 -0.836 391 HB2 GLU 45 2HB GLU 45 -8.581 -3.169 -2.961 392 HB3 GLU 45 1HB GLU 45 -8.420 -4.799 -3.595 393 HG2 GLU 45 2HG GLU 45 -11.000 -3.724 -2.499 394 HG3 GLU 45 1HG GLU 45 -10.526 -3.544 -4.186 395 H GLY 46 HN GLY 46 -6.676 -6.038 -2.184 396 HA2 GLY 46 2HA GLY 46 -6.998 -8.436 -0.861 397 HA3 GLY 46 1HA GLY 46 -7.888 -8.611 -2.368 398 H LYS 47 HN LYS 47 -5.959 -10.346 -2.155 399 HA LYS 47 HA LYS 47 -3.781 -9.247 -3.811 400 HB2 LYS 47 2HB LYS 47 -3.689 -11.617 -1.924 401 HB3 LYS 47 1HB LYS 47 -2.373 -11.110 -2.972 402 HG2 LYS 47 2HG LYS 47 -2.112 -9.060 -1.765 403 HG3 LYS 47 1HG LYS 47 -3.565 -9.377 -0.818 404 HD2 LYS 47 2HD LYS 47 -1.659 -9.876 0.546 405 HD3 LYS 47 1HD LYS 47 -2.438 -11.396 0.112 406 HE2 LYS 47 2HE LYS 47 -0.769 -11.772 -1.623 407 HE3 LYS 47 1HE LYS 47 -0.012 -10.226 -1.242 408 HZ1 LYS 47 3HZ LYS 47 0.523 -11.052 0.959 409 HZ2 LYS 47 1HZ LYS 47 1.154 -12.095 -0.215 410 HZ3 LYS 47 2HZ LYS 47 -0.248 -12.524 0.633 411 H ALA 48 HN ALA 48 -3.258 -10.361 -5.686 412 HA ALA 48 HA ALA 48 -5.334 -11.743 -6.974 413 HB1 ALA 48 1HB ALA 48 -2.397 -11.731 -7.686 414 HB2 ALA 48 2HB ALA 48 -3.563 -10.491 -8.146 415 HB3 ALA 48 3HB ALA 48 -3.738 -12.134 -8.761 416 HA PRO 49 HA PRO 49 -5.249 -16.014 -5.898 417 HB2 PRO 49 2HB PRO 49 -4.374 -16.530 -8.716 418 HB3 PRO 49 1HB PRO 49 -5.638 -17.326 -7.770 419 HG2 PRO 49 2HG PRO 49 -6.278 -15.501 -9.587 420 HG3 PRO 49 1HG PRO 49 -7.126 -15.558 -8.029 421 HD2 PRO 49 2HD PRO 49 -5.083 -13.629 -9.005 422 HD3 PRO 49 1HD PRO 49 -6.435 -13.375 -7.885 423 H MET 50 HN MET 50 -2.520 -15.061 -7.977 424 HA MET 50 HA MET 50 -0.779 -17.147 -7.100 425 HB2 MET 50 2HB MET 50 -0.445 -16.132 -9.260 426 HB3 MET 50 1HB MET 50 -0.282 -14.538 -8.543 427 HG2 MET 50 2HG MET 50 1.802 -15.243 -7.469 428 HG3 MET 50 1HG MET 50 1.639 -16.830 -8.219 429 HE1 MET 50 3HE MET 50 4.170 -16.454 -9.169 430 HE2 MET 50 1HE MET 50 4.197 -14.847 -8.443 431 HE3 MET 50 2HE MET 50 4.624 -15.054 -10.141 432 H GLY 51 HN GLY 51 -1.704 -14.147 -5.741 433 HA2 GLY 51 2HA GLY 51 -0.996 -13.463 -3.554 434 HA3 GLY 51 1HA GLY 51 0.559 -14.230 -3.856 435 H ASP 52 HN ASP 52 -0.039 -12.932 -6.663 436 HA ASP 52 HA ASP 52 0.507 -10.137 -6.196 437 HB2 ASP 52 2HB ASP 52 2.767 -10.993 -6.002 438 HB3 ASP 52 1HB ASP 52 2.564 -11.978 -7.447 439 HA PRO 53 HA PRO 53 0.884 -8.395 -7.434 440 HB2 PRO 53 2HB PRO 53 -1.147 -6.726 -8.591 441 HB3 PRO 53 1HB PRO 53 0.579 -6.761 -8.952 442 HG2 PRO 53 2HG PRO 53 -1.401 -7.541 -10.697 443 HG3 PRO 53 1HG PRO 53 0.283 -8.084 -10.783 444 HD2 PRO 53 2HD PRO 53 -2.109 -9.485 -9.677 445 HD3 PRO 53 1HD PRO 53 -0.732 -10.143 -10.588 446 H ILE 54 HN ILE 54 -0.498 -6.385 -6.434 447 HA ILE 54 HA ILE 54 -2.563 -7.652 -4.749 448 HB ILE 54 HB ILE 54 -0.722 -5.378 -3.973 449 HG12 ILE 54 2HG1 ILE 54 -0.592 -8.291 -3.160 450 HG13 ILE 54 1HG1 ILE 54 0.507 -7.504 -4.288 451 HG21 ILE 54 1HG2 ILE 54 -2.658 -7.035 -2.355 452 HG22 ILE 54 2HG2 ILE 54 -2.830 -5.333 -2.782 453 HG23 ILE 54 3HG2 ILE 54 -1.540 -5.841 -1.692 454 HD11 ILE 54 3HD1 ILE 54 1.490 -7.746 -2.071 455 HD12 ILE 54 1HD1 ILE 54 0.178 -6.793 -1.381 456 HD13 ILE 54 2HD1 ILE 54 1.307 -6.049 -2.514 457 H ALA 55 HN ALA 55 -4.475 -6.602 -4.508 458 HA ALA 55 HA ALA 55 -4.990 -4.358 -6.278 459 HB1 ALA 55 1HB ALA 55 -6.874 -5.920 -4.508 460 HB2 ALA 55 2HB ALA 55 -6.586 -6.208 -6.224 461 HB3 ALA 55 3HB ALA 55 -7.342 -4.705 -5.697 462 H LEU 56 HN LEU 56 -4.592 -2.385 -5.579 463 HA LEU 56 HA LEU 56 -4.990 -1.776 -2.722 464 HB2 LEU 56 2HB LEU 56 -3.225 -0.279 -4.648 465 HB3 LEU 56 1HB LEU 56 -3.296 -0.093 -2.909 466 HG LEU 56 HG LEU 56 -2.293 -2.571 -4.314 467 HD11 LEU 56 1HD1 LEU 56 -0.067 -1.813 -3.657 468 HD12 LEU 56 2HD1 LEU 56 -0.759 -0.327 -3.006 469 HD13 LEU 56 3HD1 LEU 56 -0.839 -0.653 -4.738 470 HD21 LEU 56 3HD2 LEU 56 -3.187 -3.011 -2.097 471 HD22 LEU 56 1HD2 LEU 56 -2.203 -1.711 -1.423 472 HD23 LEU 56 2HD2 LEU 56 -1.429 -3.148 -2.091 473 H ARG 57 HN ARG 57 -6.341 -0.136 -2.212 474 HA ARG 57 HA ARG 57 -7.718 1.189 -4.420 475 HB2 ARG 57 2HB ARG 57 -9.023 0.095 -2.579 476 HB3 ARG 57 1HB ARG 57 -8.374 1.295 -1.473 477 HG2 ARG 57 2HG ARG 57 -9.403 3.063 -2.872 478 HG3 ARG 57 1HG ARG 57 -10.151 1.796 -3.845 479 HD2 ARG 57 2HD ARG 57 -11.217 0.927 -1.769 480 HD3 ARG 57 1HD ARG 57 -10.584 2.332 -0.913 481 HE ARG 57 HE ARG 57 -12.310 2.727 -3.259 482 HH11 ARG 57 1HH1 ARG 57 -11.761 3.041 0.199 483 HH12 ARG 57 2HH1 ARG 57 -13.167 4.026 0.448 484 HH21 ARG 57 1HH2 ARG 57 -14.151 4.033 -2.911 485 HH22 ARG 57 2HH2 ARG 57 -14.522 4.576 -1.303 486 H LEU 58 HN LEU 58 -6.750 2.979 -5.113 487 HA LEU 58 HA LEU 58 -5.854 4.919 -3.115 488 HB2 LEU 58 2HB LEU 58 -3.825 5.424 -4.309 489 HB3 LEU 58 1HB LEU 58 -3.854 3.733 -3.887 490 HG LEU 58 HG LEU 58 -2.871 3.856 -6.017 491 HD11 LEU 58 1HD1 LEU 58 -5.738 3.099 -6.499 492 HD12 LEU 58 2HD1 LEU 58 -4.472 2.050 -5.860 493 HD13 LEU 58 3HD1 LEU 58 -4.360 2.662 -7.510 494 HD21 LEU 58 3HD2 LEU 58 -3.912 4.990 -7.953 495 HD22 LEU 58 1HD2 LEU 58 -3.427 6.087 -6.660 496 HD23 LEU 58 2HD2 LEU 58 -5.125 5.658 -6.860 497 H ARG 59 HN ARG 59 -5.809 7.104 -3.837 498 HA ARG 59 HA ARG 59 -6.605 8.947 -4.908 499 HB2 ARG 59 2HB ARG 59 -6.037 7.171 -7.014 500 HB3 ARG 59 1HB ARG 59 -7.646 7.791 -7.343 501 HG2 ARG 59 2HG ARG 59 -5.227 9.508 -6.825 502 HG3 ARG 59 1HG ARG 59 -5.844 9.085 -8.422 503 HD2 ARG 59 2HD ARG 59 -8.015 10.132 -7.776 504 HD3 ARG 59 1HD ARG 59 -7.246 10.687 -6.289 505 HE ARG 59 HE ARG 59 -5.661 11.537 -8.411 506 HH11 ARG 59 1HH1 ARG 59 -8.868 12.140 -7.127 507 HH12 ARG 59 2HH1 ARG 59 -8.969 13.737 -7.813 508 HH21 ARG 59 1HH2 ARG 59 -5.794 13.618 -9.299 509 HH22 ARG 59 2HH2 ARG 59 -7.216 14.579 -9.036 510 H GLY 60 HN GLY 60 -8.640 6.148 -5.743 511 HA2 GLY 60 2HA GLY 60 -10.843 7.071 -4.205 512 HA3 GLY 60 1HA GLY 60 -11.088 7.433 -5.908 513 H TYR 61 HN TYR 61 -9.612 5.068 -6.794 514 HA TYR 61 HA TYR 61 -11.566 3.006 -6.051 515 HB2 TYR 61 2HB TYR 61 -11.354 2.257 -8.505 516 HB3 TYR 61 1HB TYR 61 -12.351 3.660 -8.152 517 HD1 TYR 61 1HD TYR 61 -11.528 5.933 -8.710 518 HD2 TYR 61 2HD TYR 61 -9.382 2.443 -9.853 519 HE1 TYR 61 1HE TYR 61 -10.252 7.258 -10.338 520 HE2 TYR 61 2HE TYR 61 -8.094 3.763 -11.482 521 HH TYR 61 HH TYR 61 -8.422 5.904 -12.792 522 H SER 62 HN SER 62 -10.854 0.793 -6.740 523 HA SER 62 HA SER 62 -8.141 0.434 -5.792 524 HB2 SER 62 2HB SER 62 -9.897 -0.964 -4.850 525 HB3 SER 62 1HB SER 62 -10.297 -1.579 -6.450 526 HG SER 62 HG SER 62 -8.874 -3.056 -6.053 527 H LEU 63 HN LEU 63 -6.539 -0.613 -6.843 528 HA LEU 63 HA LEU 63 -6.857 -1.383 -9.639 529 HB2 LEU 63 2HB LEU 63 -4.957 0.760 -8.679 530 HB3 LEU 63 1HB LEU 63 -4.785 -0.057 -10.221 531 HG LEU 63 HG LEU 63 -7.211 1.558 -9.428 532 HD11 LEU 63 1HD1 LEU 63 -6.337 3.267 -10.961 533 HD12 LEU 63 2HD1 LEU 63 -4.853 2.329 -11.143 534 HD13 LEU 63 3HD1 LEU 63 -5.277 3.011 -9.574 535 HD21 LEU 63 3HD2 LEU 63 -6.322 0.421 -12.077 536 HD22 LEU 63 1HD2 LEU 63 -7.730 1.453 -11.821 537 HD23 LEU 63 2HD2 LEU 63 -7.669 -0.154 -11.096 538 H SER 64 HN SER 64 -4.874 -2.521 -10.423 539 HA SER 64 HA SER 64 -3.816 -4.101 -8.209 540 HB2 SER 64 2HB SER 64 -4.983 -5.250 -10.067 541 HB3 SER 64 1HB SER 64 -3.736 -4.686 -11.172 542 HG SER 64 HG SER 64 -3.257 -6.775 -10.495 543 H LEU 65 HN LEU 65 -1.872 -3.795 -7.515 544 HA LEU 65 HA LEU 65 0.183 -2.672 -9.315 545 HB2 LEU 65 2HB LEU 65 -0.300 -2.085 -6.392 546 HB3 LEU 65 1HB LEU 65 1.230 -1.750 -7.173 547 HG LEU 65 HG LEU 65 0.075 0.300 -7.101 548 HD11 LEU 65 1HD1 LEU 65 -0.359 -0.819 -9.861 549 HD12 LEU 65 2HD1 LEU 65 1.157 -0.163 -9.243 550 HD13 LEU 65 3HD1 LEU 65 -0.248 0.887 -9.427 551 HD21 LEU 65 3HD2 LEU 65 -2.147 -0.515 -6.592 552 HD22 LEU 65 1HD2 LEU 65 -2.326 -1.120 -8.239 553 HD23 LEU 65 2HD2 LEU 65 -2.202 0.615 -7.944 554 H ARG 66 HN ARG 66 2.265 -3.583 -9.147 555 HA ARG 66 HA ARG 66 2.246 -6.316 -8.304 556 HB2 ARG 66 2HB ARG 66 4.424 -4.541 -9.398 557 HB3 ARG 66 1HB ARG 66 4.700 -6.219 -8.958 558 HG2 ARG 66 2HG ARG 66 2.662 -5.320 -10.980 559 HG3 ARG 66 1HG ARG 66 4.302 -5.830 -11.378 560 HD2 ARG 66 2HD ARG 66 3.851 -8.023 -10.367 561 HD3 ARG 66 1HD ARG 66 2.205 -7.507 -10.005 562 HE ARG 66 HE ARG 66 2.601 -7.136 -12.735 563 HH11 ARG 66 1HH1 ARG 66 2.550 -9.838 -10.475 564 HH12 ARG 66 2HH1 ARG 66 1.926 -10.954 -11.657 565 HH21 ARG 66 1HH2 ARG 66 1.837 -8.623 -14.275 566 HH22 ARG 66 2HH2 ARG 66 1.508 -10.266 -13.807 567 H LYS 67 HN LYS 67 3.652 -7.300 -6.819 568 HA LYS 67 HA LYS 67 3.756 -6.200 -4.271 569 HB2 LYS 67 2HB LYS 67 3.917 -8.618 -4.939 570 HB3 LYS 67 1HB LYS 67 5.587 -8.324 -5.391 571 HG2 LYS 67 2HG LYS 67 6.166 -7.814 -3.113 572 HG3 LYS 67 1HG LYS 67 4.475 -7.946 -2.620 573 HD2 LYS 67 2HD LYS 67 4.483 -10.307 -3.366 574 HD3 LYS 67 1HD LYS 67 6.201 -10.154 -3.738 575 HE2 LYS 67 2HE LYS 67 6.686 -9.694 -1.403 576 HE3 LYS 67 1HE LYS 67 4.966 -9.759 -1.014 577 HZ1 LYS 67 3HZ LYS 67 4.928 -12.077 -1.665 578 HZ2 LYS 67 1HZ LYS 67 6.110 -11.831 -0.468 579 HZ3 LYS 67 2HZ LYS 67 6.568 -12.021 -2.093 580 H SER 68 HN SER 68 6.066 -6.026 -6.886 581 HA SER 68 HA SER 68 8.287 -5.073 -5.452 582 HB2 SER 68 2HB SER 68 8.834 -4.046 -7.793 583 HB3 SER 68 1HB SER 68 8.787 -5.801 -7.603 584 HG SER 68 HG SER 68 6.905 -4.076 -8.823 585 H GLU 69 HN GLU 69 5.526 -3.387 -6.890 586 HA GLU 69 HA GLU 69 6.564 -0.778 -6.347 587 HB2 GLU 69 2HB GLU 69 3.820 -1.767 -7.111 588 HB3 GLU 69 1HB GLU 69 4.131 -0.077 -6.751 589 HG2 GLU 69 2HG GLU 69 4.342 -0.079 -9.020 590 HG3 GLU 69 1HG GLU 69 6.016 -0.342 -8.538 591 H ALA 70 HN ALA 70 4.352 -2.982 -4.714 592 HA ALA 70 HA ALA 70 3.589 -1.222 -2.628 593 HB1 ALA 70 1HB ALA 70 2.354 -3.271 -3.192 594 HB2 ALA 70 2HB ALA 70 2.794 -3.211 -1.484 595 HB3 ALA 70 3HB ALA 70 3.703 -4.238 -2.594 596 H LYS 71 HN LYS 71 6.406 -3.117 -3.208 597 HA LYS 71 HA LYS 71 7.467 -3.280 -0.613 598 HB2 LYS 71 2HB LYS 71 8.575 -4.646 -2.083 599 HB3 LYS 71 1HB LYS 71 8.530 -3.471 -3.386 600 HG2 LYS 71 2HG LYS 71 10.247 -2.869 -1.036 601 HG3 LYS 71 1HG LYS 71 10.777 -4.123 -2.162 602 HD2 LYS 71 2HD LYS 71 10.742 -2.600 -3.996 603 HD3 LYS 71 1HD LYS 71 9.926 -1.370 -3.033 604 HE2 LYS 71 2HE LYS 71 11.915 -1.160 -1.623 605 HE3 LYS 71 1HE LYS 71 12.725 -2.400 -2.577 606 HZ1 LYS 71 3HZ LYS 71 11.812 0.258 -3.570 607 HZ2 LYS 71 1HZ LYS 71 12.538 -0.950 -4.519 608 HZ3 LYS 71 2HZ LYS 71 13.417 -0.208 -3.272 609 H ASP 72 HN ASP 72 7.355 -0.654 -2.900 610 HA ASP 72 HA ASP 72 9.608 0.696 -1.656 611 HB2 ASP 72 2HB ASP 72 8.995 0.511 -4.203 612 HB3 ASP 72 1HB ASP 72 7.965 1.894 -3.848 613 H ILE 73 HN ILE 73 6.364 0.531 -1.060 614 HA ILE 73 HA ILE 73 6.180 3.330 -0.192 615 HB ILE 73 HB ILE 73 3.958 1.294 -0.474 616 HG12 ILE 73 2HG1 ILE 73 4.633 3.662 -2.236 617 HG13 ILE 73 1HG1 ILE 73 4.975 1.983 -2.639 618 HG21 ILE 73 1HG2 ILE 73 3.855 4.261 0.062 619 HG22 ILE 73 2HG2 ILE 73 3.509 2.986 1.231 620 HG23 ILE 73 3HG2 ILE 73 2.461 3.205 -0.173 621 HD11 ILE 73 3HD1 ILE 73 2.967 2.829 -3.752 622 HD12 ILE 73 1HD1 ILE 73 2.233 3.130 -2.177 623 HD13 ILE 73 2HD1 ILE 73 2.611 1.479 -2.672 624 H LEU 74 HN LEU 74 6.737 3.632 1.877 625 HA LEU 74 HA LEU 74 6.358 1.569 3.872 626 HB2 LEU 74 2HB LEU 74 7.367 4.411 4.073 627 HB3 LEU 74 1HB LEU 74 7.318 3.281 5.408 628 HG LEU 74 HG LEU 74 9.549 3.402 4.608 629 HD11 LEU 74 1HD1 LEU 74 8.824 1.201 5.302 630 HD12 LEU 74 2HD1 LEU 74 10.001 1.079 3.994 631 HD13 LEU 74 3HD1 LEU 74 8.285 0.847 3.661 632 HD21 LEU 74 3HD2 LEU 74 8.506 2.721 1.874 633 HD22 LEU 74 1HD2 LEU 74 10.207 2.847 2.324 634 HD23 LEU 74 2HD2 LEU 74 9.171 4.274 2.384 635 H VAL 75 HN VAL 75 4.637 1.428 5.180 636 HA VAL 75 HA VAL 75 2.785 3.716 5.320 637 HB VAL 75 HB VAL 75 0.883 2.108 5.250 638 HG11 VAL 75 1HG1 VAL 75 2.661 2.124 2.811 639 HG12 VAL 75 2HG1 VAL 75 1.483 3.360 3.257 640 HG13 VAL 75 3HG1 VAL 75 0.940 1.739 2.824 641 HG21 VAL 75 3HG2 VAL 75 2.055 0.084 5.907 642 HG22 VAL 75 1HG2 VAL 75 3.015 0.136 4.428 643 HG23 VAL 75 2HG2 VAL 75 1.277 -0.144 4.340 644 H GLU 76 HN GLU 76 1.496 3.848 7.208 645 HA GLU 76 HA GLU 76 2.458 2.210 9.450 646 HB2 GLU 76 2HB GLU 76 1.603 3.884 10.944 647 HB3 GLU 76 1HB GLU 76 2.538 4.706 9.705 648 HG2 GLU 76 2HG GLU 76 0.542 5.432 8.595 649 HG3 GLU 76 1HG GLU 76 -0.462 4.457 9.669 650 H VAL 77 HN VAL 77 0.956 1.170 10.826 651 HA VAL 77 HA VAL 77 -1.433 0.328 9.385 652 HB VAL 77 HB VAL 77 -0.300 -0.721 11.990 653 HG11 VAL 77 1HG1 VAL 77 -1.751 -2.666 11.573 654 HG12 VAL 77 2HG1 VAL 77 -2.415 -1.854 10.154 655 HG13 VAL 77 3HG1 VAL 77 -2.680 -1.178 11.761 656 HG21 VAL 77 3HG2 VAL 77 -0.004 -1.741 9.167 657 HG22 VAL 77 1HG2 VAL 77 0.486 -2.624 10.613 658 HG23 VAL 77 2HG2 VAL 77 1.272 -1.100 10.202 659 H LEU 78 HN LEU 78 -3.262 1.386 9.697 660 HA LEU 78 HA LEU 78 -3.623 2.956 12.129 661 HB2 LEU 78 2HB LEU 78 -5.102 2.865 9.510 662 HB3 LEU 78 1HB LEU 78 -5.620 3.829 10.876 663 HG LEU 78 HG LEU 78 -2.989 4.127 9.424 664 HD11 LEU 78 1HD1 LEU 78 -4.856 4.854 8.059 665 HD12 LEU 78 2HD1 LEU 78 -3.932 6.244 8.626 666 HD13 LEU 78 3HD1 LEU 78 -5.470 5.836 9.387 667 HD21 LEU 78 3HD2 LEU 78 -2.823 4.717 11.787 668 HD22 LEU 78 1HD2 LEU 78 -4.218 5.785 11.626 669 HD23 LEU 78 2HD2 LEU 78 -2.722 6.151 10.765 670 H LEU 79 HN LEU 79 -4.272 -0.081 11.240 671 HA LEU 79 HA LEU 79 -6.943 -0.327 12.200 672 HB2 LEU 79 2HB LEU 79 -4.890 -2.414 11.499 673 HB3 LEU 79 1HB LEU 79 -6.555 -2.755 11.919 674 HG LEU 79 HG LEU 79 -5.613 -1.230 9.494 675 HD11 LEU 79 1HD1 LEU 79 -5.199 -3.605 9.323 676 HD12 LEU 79 2HD1 LEU 79 -6.547 -3.156 8.277 677 HD13 LEU 79 3HD1 LEU 79 -6.854 -3.956 9.819 678 HD21 LEU 79 3HD2 LEU 79 -7.961 -1.226 8.822 679 HD22 LEU 79 1HD2 LEU 79 -7.731 -0.348 10.333 680 HD23 LEU 79 2HD2 LEU 79 -8.407 -1.977 10.354 681 H GLU 80 HN GLU 80 -7.423 -1.986 13.878 682 HA GLU 80 HA GLU 80 -6.008 -1.499 16.315 683 HB2 GLU 80 2HB GLU 80 -8.313 -3.293 15.552 684 HB3 GLU 80 1HB GLU 80 -7.651 -3.252 17.180 685 HG2 GLU 80 2HG GLU 80 -8.756 -0.848 15.742 686 HG3 GLU 80 1HG GLU 80 -9.673 -1.851 16.866 687 H HIS 81 HN HIS 81 -6.098 -4.000 17.556 688 HA HIS 81 HA HIS 81 -3.650 -5.144 16.681 689 HB2 HIS 81 2HB HIS 81 -5.714 -6.140 18.656 690 HB3 HIS 81 1HB HIS 81 -4.171 -6.941 18.371 691 HD1 HIS 81 1HD HIS 81 -4.509 -6.101 21.162 692 HD2 HIS 81 2HD HIS 81 -3.091 -3.470 18.266 693 HE1 HIS 81 1HE HIS 81 -3.309 -4.286 22.420 694 HE2 HIS 81 2HE HIS 81 -2.282 -2.835 20.638 695 H HIS 82 HN HIS 82 -3.226 -7.082 15.636 696 HA HIS 82 HA HIS 82 -5.527 -8.073 14.088 697 HB2 HIS 82 2HB HIS 82 -4.016 -8.384 12.168 698 HB3 HIS 82 1HB HIS 82 -4.105 -6.705 12.671 699 HD1 HIS 82 1HD HIS 82 -1.946 -5.756 13.958 700 HD2 HIS 82 2HD HIS 82 -1.494 -9.465 12.117 701 HE1 HIS 82 1HE HIS 82 0.532 -6.148 13.812 702 HE2 HIS 82 2HE HIS 82 0.774 -8.475 12.876 703 H HIS 83 HN HIS 83 -6.029 -10.053 14.641 704 HA HIS 83 HA HIS 83 -4.119 -12.165 14.445 705 HB2 HIS 83 2HB HIS 83 -4.222 -13.023 16.703 706 HB3 HIS 83 1HB HIS 83 -3.645 -11.364 16.758 707 HD1 HIS 83 1HD HIS 83 -5.460 -13.370 18.805 708 HD2 HIS 83 2HD HIS 83 -6.396 -9.718 17.038 709 HE1 HIS 83 1HE HIS 83 -7.273 -12.366 20.229 710 HE2 HIS 83 2HE HIS 83 -7.935 -10.243 19.054 711 H HIS 84 HN HIS 84 -5.126 -14.293 14.663 712 HA HIS 84 HA HIS 84 -6.781 -15.800 14.218 713 HB2 HIS 84 2HB HIS 84 -7.571 -14.795 16.448 714 HB3 HIS 84 1HB HIS 84 -8.707 -13.852 15.494 715 HD1 HIS 84 1HD HIS 84 -8.117 -17.235 16.889 716 HD2 HIS 84 2HD HIS 84 -10.828 -15.367 14.345 717 HE1 HIS 84 1HE HIS 84 -10.055 -18.822 16.676 718 HE2 HIS 84 2HE HIS 84 -11.765 -17.572 15.311 719 H HIS 85 HN HIS 85 -6.105 -13.895 12.235 720 HA HIS 85 HA HIS 85 -8.689 -13.440 10.888 721 HB2 HIS 85 2HB HIS 85 -6.252 -11.753 11.108 722 HB3 HIS 85 1HB HIS 85 -7.101 -11.736 9.566 723 HD1 HIS 85 1HD HIS 85 -8.076 -11.360 13.250 724 HD2 HIS 85 2HD HIS 85 -8.983 -9.826 9.488 725 HE1 HIS 85 1HE HIS 85 -9.781 -9.550 13.643 726 HE2 HIS 85 2HE HIS 85 -10.415 -8.732 11.341 727 H HIS 86 HN HIS 86 -8.919 -15.125 9.579 728 HA HIS 86 HA HIS 86 -7.410 -15.274 7.204 729 HB2 HIS 86 2HB HIS 86 -5.818 -16.431 8.802 730 HB3 HIS 86 1HB HIS 86 -7.043 -17.678 9.009 731 HD1 HIS 86 1HD HIS 86 -4.163 -16.872 7.023 732 HD2 HIS 86 2HD HIS 86 -7.721 -18.927 6.370 733 HE1 HIS 86 1HE HIS 86 -3.776 -18.270 4.970 734 HE2 HIS 86 2HE HIS 86 -6.018 -19.311 4.465 Start of MODEL 19 1 H1 MET 1 H1 MET 1 5.319 -0.684 19.210 2 H2 MET 1 H2 MET 1 6.178 0.449 20.130 3 H3 MET 1 H3 MET 1 6.835 -0.148 18.683 4 HA MET 1 HA MET 1 4.368 1.473 18.891 5 HB2 MET 1 2HB MET 1 7.222 2.183 18.430 6 HB3 MET 1 1HB MET 1 6.017 3.025 17.467 7 HG2 MET 1 2HG MET 1 6.626 4.264 19.479 8 HG3 MET 1 1HG MET 1 4.922 3.819 19.465 9 HE1 MET 1 2HE MET 1 5.719 3.672 23.270 10 HE2 MET 1 3HE MET 1 4.640 4.302 22.026 11 HE3 MET 1 1HE MET 1 6.319 4.838 22.090 12 H THR 2 HN THR 2 3.481 2.089 16.878 13 HA THR 2 HA THR 2 4.002 0.165 14.748 14 HB THR 2 HB THR 2 1.869 1.514 13.844 15 HG1 THR 2 1HG THR 2 1.334 2.913 15.377 16 HG21 THR 2 3HG2 THR 2 0.454 -0.181 14.969 17 HG22 THR 2 1HG2 THR 2 1.829 -0.616 15.986 18 HG23 THR 2 2HG2 THR 2 1.902 -0.878 14.242 19 H LYS 3 HN LYS 3 5.766 0.912 13.650 20 HA LYS 3 HA LYS 3 5.767 3.698 12.749 21 HB2 LYS 3 2HB LYS 3 7.948 1.607 12.787 22 HB3 LYS 3 1HB LYS 3 8.137 3.208 12.082 23 HG2 LYS 3 2HG LYS 3 7.686 4.219 14.260 24 HG3 LYS 3 1HG LYS 3 7.511 2.611 14.966 25 HD2 LYS 3 2HD LYS 3 9.821 2.096 14.437 26 HD3 LYS 3 1HD LYS 3 10.005 3.649 13.620 27 HE2 LYS 3 2HE LYS 3 9.618 4.819 15.711 28 HE3 LYS 3 1HE LYS 3 9.349 3.287 16.540 29 HZ1 LYS 3 3HZ LYS 3 11.894 4.149 15.266 30 HZ2 LYS 3 1HZ LYS 3 11.634 2.669 16.050 31 HZ3 LYS 3 2HZ LYS 3 11.577 4.117 16.928 32 H GLY 4 HN GLY 4 7.080 3.737 10.472 33 HA2 GLY 4 2HA GLY 4 5.162 2.778 8.601 34 HA3 GLY 4 1HA GLY 4 6.676 3.582 8.213 35 H ILE 5 HN ILE 5 4.996 0.773 7.904 36 HA ILE 5 HA ILE 5 7.473 -0.791 7.555 37 HB ILE 5 HB ILE 5 6.068 -2.828 7.756 38 HG12 ILE 5 2HG1 ILE 5 3.913 -0.912 8.686 39 HG13 ILE 5 1HG1 ILE 5 3.914 -1.743 7.133 40 HG21 ILE 5 1HG2 ILE 5 5.798 -2.728 10.189 41 HG22 ILE 5 2HG2 ILE 5 5.977 -0.974 10.132 42 HG23 ILE 5 3HG2 ILE 5 7.325 -2.013 9.669 43 HD11 ILE 5 3HD1 ILE 5 3.800 -3.058 9.839 44 HD12 ILE 5 1HD1 ILE 5 3.797 -3.892 8.284 45 HD13 ILE 5 2HD1 ILE 5 2.449 -2.842 8.724 46 H GLY 6 HN GLY 6 7.204 -2.527 5.813 47 HA2 GLY 6 2HA GLY 6 6.581 -1.202 3.378 48 HA3 GLY 6 1HA GLY 6 7.020 -2.899 3.551 49 H LEU 7 HN LEU 7 4.913 -1.442 1.974 50 HA LEU 7 HA LEU 7 2.350 -2.013 2.933 51 HB2 LEU 7 2HB LEU 7 3.065 -0.640 0.896 52 HB3 LEU 7 1HB LEU 7 3.187 -2.158 0.036 53 HG LEU 7 HG LEU 7 1.073 -0.818 -0.331 54 HD11 LEU 7 1HD1 LEU 7 -0.393 -2.776 -0.307 55 HD12 LEU 7 2HD1 LEU 7 0.776 -3.636 0.696 56 HD13 LEU 7 3HD1 LEU 7 1.205 -3.163 -0.949 57 HD21 LEU 7 3HD2 LEU 7 -0.681 -1.027 1.364 58 HD22 LEU 7 1HD2 LEU 7 0.699 -0.099 1.953 59 HD23 LEU 7 2HD2 LEU 7 0.480 -1.771 2.464 60 H ASN 8 HN ASN 8 4.728 -4.024 1.352 61 HA ASN 8 HA ASN 8 3.029 -6.241 0.839 62 HB2 ASN 8 2HB ASN 8 5.100 -7.482 0.412 63 HB3 ASN 8 1HB ASN 8 5.128 -5.916 -0.385 64 HD21 ASN 8 1HD2 ASN 8 7.329 -7.668 0.371 65 HD22 ASN 8 2HD2 ASN 8 8.366 -6.726 1.391 66 H GLU 9 HN GLU 9 4.341 -5.019 3.712 67 HA GLU 9 HA GLU 9 4.429 -7.611 5.049 68 HB2 GLU 9 2HB GLU 9 5.158 -4.842 6.004 69 HB3 GLU 9 1HB GLU 9 5.337 -6.306 6.944 70 HG2 GLU 9 2HG GLU 9 6.914 -7.167 5.287 71 HG3 GLU 9 1HG GLU 9 6.753 -5.668 4.374 72 H VAL 10 HN VAL 10 2.142 -5.373 4.325 73 HA VAL 10 HA VAL 10 0.806 -5.377 6.913 74 HB VAL 10 HB VAL 10 -0.180 -4.139 4.341 75 HG11 VAL 10 1HG1 VAL 10 -0.828 -3.531 7.220 76 HG12 VAL 10 2HG1 VAL 10 -1.865 -4.399 6.088 77 HG13 VAL 10 3HG1 VAL 10 -1.485 -2.699 5.812 78 HG21 VAL 10 3HG2 VAL 10 1.524 -2.880 6.486 79 HG22 VAL 10 1HG2 VAL 10 0.784 -2.027 5.133 80 HG23 VAL 10 2HG2 VAL 10 2.026 -3.242 4.836 81 H GLU 11 HN GLU 11 -1.480 -5.983 7.026 82 HA GLU 11 HA GLU 11 -1.890 -8.529 5.681 83 HB2 GLU 11 2HB GLU 11 -2.130 -8.178 8.180 84 HB3 GLU 11 1HB GLU 11 -3.591 -7.274 7.837 85 HG2 GLU 11 2HG GLU 11 -4.518 -9.292 6.748 86 HG3 GLU 11 1HG GLU 11 -3.072 -10.175 7.240 87 H ILE 12 HN ILE 12 -4.171 -9.039 5.020 88 HA ILE 12 HA ILE 12 -5.015 -7.054 3.117 89 HB ILE 12 HB ILE 12 -6.698 -8.695 2.412 90 HG12 ILE 12 2HG1 ILE 12 -5.580 -10.458 4.604 91 HG13 ILE 12 1HG1 ILE 12 -7.137 -9.642 4.675 92 HG21 ILE 12 1HG2 ILE 12 -3.927 -9.830 2.771 93 HG22 ILE 12 2HG2 ILE 12 -4.488 -8.816 1.442 94 HG23 ILE 12 3HG2 ILE 12 -5.139 -10.442 1.644 95 HD11 ILE 12 3HD1 ILE 12 -6.336 -11.732 2.663 96 HD12 ILE 12 1HD1 ILE 12 -7.898 -10.918 2.746 97 HD13 ILE 12 2HD1 ILE 12 -7.385 -11.978 4.060 98 H LYS 13 HN LYS 13 -7.283 -6.405 2.903 99 HA LYS 13 HA LYS 13 -9.169 -5.400 3.620 100 HB2 LYS 13 2HB LYS 13 -9.058 -7.434 5.855 101 HB3 LYS 13 1HB LYS 13 -10.464 -6.481 5.397 102 HG2 LYS 13 2HG LYS 13 -10.356 -7.544 3.140 103 HG3 LYS 13 1HG LYS 13 -9.091 -8.602 3.764 104 HD2 LYS 13 2HD LYS 13 -11.169 -9.776 3.879 105 HD3 LYS 13 1HD LYS 13 -10.690 -9.353 5.523 106 HE2 LYS 13 2HE LYS 13 -12.265 -7.571 5.609 107 HE3 LYS 13 1HE LYS 13 -12.587 -7.690 3.879 108 HZ1 LYS 13 3HZ LYS 13 -13.513 -9.911 4.280 109 HZ2 LYS 13 1HZ LYS 13 -14.366 -8.700 5.106 110 HZ3 LYS 13 2HZ LYS 13 -13.286 -9.709 5.946 111 H SER 14 HN SER 14 -6.604 -4.419 4.476 112 HA SER 14 HA SER 14 -7.378 -3.049 6.962 113 HB2 SER 14 2HB SER 14 -4.563 -3.669 6.039 114 HB3 SER 14 1HB SER 14 -5.032 -2.945 7.574 115 HG SER 14 HG SER 14 -5.605 -5.579 6.676 116 H LYS 15 HN LYS 15 -6.801 -0.850 7.124 117 HA LYS 15 HA LYS 15 -6.308 0.448 4.534 118 HB2 LYS 15 2HB LYS 15 -8.497 0.921 5.711 119 HB3 LYS 15 1HB LYS 15 -7.564 1.699 6.982 120 HG2 LYS 15 2HG LYS 15 -6.662 3.272 5.302 121 HG3 LYS 15 1HG LYS 15 -7.701 2.527 4.089 122 HD2 LYS 15 2HD LYS 15 -9.665 3.120 5.505 123 HD3 LYS 15 1HD LYS 15 -8.570 3.998 6.575 124 HE2 LYS 15 2HE LYS 15 -7.887 5.402 4.652 125 HE3 LYS 15 1HE LYS 15 -9.068 4.561 3.651 126 HZ1 LYS 15 3HZ LYS 15 -10.752 5.326 5.389 127 HZ2 LYS 15 1HZ LYS 15 -10.136 6.498 4.327 128 HZ3 LYS 15 2HZ LYS 15 -9.547 6.403 5.910 129 H VAL 16 HN VAL 16 -4.479 1.551 4.288 130 HA VAL 16 HA VAL 16 -2.990 2.357 6.695 131 HB VAL 16 HB VAL 16 -0.879 1.804 5.494 132 HG11 VAL 16 1HG1 VAL 16 -2.770 -0.494 5.975 133 HG12 VAL 16 2HG1 VAL 16 -1.737 0.288 7.170 134 HG13 VAL 16 3HG1 VAL 16 -1.017 -0.627 5.847 135 HG21 VAL 16 3HG2 VAL 16 -2.729 0.411 3.562 136 HG22 VAL 16 1HG2 VAL 16 -0.969 0.283 3.580 137 HG23 VAL 16 2HG2 VAL 16 -1.737 1.828 3.217 138 H LYS 17 HN LYS 17 -1.103 3.839 5.987 139 HA LYS 17 HA LYS 17 -2.137 5.793 4.032 140 HB2 LYS 17 2HB LYS 17 -2.579 6.610 6.256 141 HB3 LYS 17 1HB LYS 17 -0.930 6.295 6.742 142 HG2 LYS 17 2HG LYS 17 -0.254 7.987 4.970 143 HG3 LYS 17 1HG LYS 17 -1.963 8.434 4.917 144 HD2 LYS 17 2HD LYS 17 -0.211 8.457 7.375 145 HD3 LYS 17 1HD LYS 17 -0.684 9.876 6.441 146 HE2 LYS 17 2HE LYS 17 -2.935 9.685 7.084 147 HE3 LYS 17 1HE LYS 17 -2.718 8.028 7.648 148 HZ1 LYS 17 3HZ LYS 17 -2.883 9.696 9.451 149 HZ2 LYS 17 1HZ LYS 17 -1.429 10.389 8.908 150 HZ3 LYS 17 2HZ LYS 17 -1.447 8.794 9.493 151 H VAL 18 HN VAL 18 -0.676 6.758 2.762 152 HA VAL 18 HA VAL 18 1.886 5.497 2.479 153 HB VAL 18 HB VAL 18 0.829 7.932 1.033 154 HG11 VAL 18 1HG1 VAL 18 3.071 6.037 0.340 155 HG12 VAL 18 2HG1 VAL 18 3.247 7.709 0.874 156 HG13 VAL 18 3HG1 VAL 18 2.484 7.354 -0.676 157 HG21 VAL 18 3HG2 VAL 18 0.252 6.361 -0.771 158 HG22 VAL 18 1HG2 VAL 18 -0.661 6.052 0.706 159 HG23 VAL 18 2HG2 VAL 18 0.702 5.017 0.278 160 H ILE 19 HN ILE 19 3.133 5.929 4.202 161 HA ILE 19 HA ILE 19 3.645 8.682 4.990 162 HB ILE 19 HB ILE 19 4.669 6.068 6.090 163 HG12 ILE 19 2HG1 ILE 19 2.277 6.560 6.481 164 HG13 ILE 19 1HG1 ILE 19 3.210 6.545 7.973 165 HG21 ILE 19 1HG2 ILE 19 5.598 7.376 7.940 166 HG22 ILE 19 2HG2 ILE 19 5.122 8.864 7.124 167 HG23 ILE 19 3HG2 ILE 19 6.343 7.816 6.402 168 HD11 ILE 19 3HD1 ILE 19 3.275 8.998 7.935 169 HD12 ILE 19 1HD1 ILE 19 1.624 8.374 7.964 170 HD13 ILE 19 2HD1 ILE 19 2.309 8.986 6.459 171 H GLY 20 HN GLY 20 5.502 5.869 3.833 172 HA2 GLY 20 2HA GLY 20 7.527 7.784 2.878 173 HA3 GLY 20 1HA GLY 20 7.993 6.336 3.749 174 H ILE 21 HN ILE 21 8.944 6.972 1.295 175 HA ILE 21 HA ILE 21 7.993 4.737 -0.316 176 HB ILE 21 HB ILE 21 8.375 7.546 -1.380 177 HG12 ILE 21 2HG1 ILE 21 5.880 5.840 -1.247 178 HG13 ILE 21 1HG1 ILE 21 6.231 7.221 -0.214 179 HG21 ILE 21 1HG2 ILE 21 9.186 5.909 -2.986 180 HG22 ILE 21 2HG2 ILE 21 7.679 6.627 -3.558 181 HG23 ILE 21 3HG2 ILE 21 7.674 5.008 -2.858 182 HD11 ILE 21 3HD1 ILE 21 4.674 7.830 -1.955 183 HD12 ILE 21 1HD1 ILE 21 5.806 7.287 -3.193 184 HD13 ILE 21 2HD1 ILE 21 6.202 8.679 -2.185 185 H VAL 22 HN VAL 22 9.682 4.094 -1.893 186 HA VAL 22 HA VAL 22 12.347 4.711 -0.826 187 HB VAL 22 HB VAL 22 11.536 2.436 -2.647 188 HG11 VAL 22 1HG1 VAL 22 13.888 3.050 -2.850 189 HG12 VAL 22 2HG1 VAL 22 13.711 1.488 -2.048 190 HG13 VAL 22 3HG1 VAL 22 14.080 2.931 -1.100 191 HG21 VAL 22 3HG2 VAL 22 11.719 1.019 -0.658 192 HG22 VAL 22 1HG2 VAL 22 10.464 2.242 -0.464 193 HG23 VAL 22 2HG2 VAL 22 12.025 2.446 0.331 194 HA PRO 23 HA PRO 23 12.357 7.355 -4.572 195 HB2 PRO 23 2HB PRO 23 14.851 8.274 -3.254 196 HB3 PRO 23 1HB PRO 23 13.492 9.218 -3.873 197 HG2 PRO 23 2HG PRO 23 13.848 8.894 -1.255 198 HG3 PRO 23 1HG PRO 23 12.220 8.882 -1.960 199 HD2 PRO 23 2HD PRO 23 13.914 6.585 -1.059 200 HD3 PRO 23 1HD PRO 23 12.169 6.844 -0.861 201 H GLU 24 HN GLU 24 13.849 7.639 -6.310 202 HA GLU 24 HA GLU 24 15.180 6.818 -7.936 203 HB2 GLU 24 2HB GLU 24 16.868 7.239 -5.991 204 HB3 GLU 24 1HB GLU 24 16.915 5.484 -5.882 205 HG2 GLU 24 2HG GLU 24 18.720 6.458 -7.260 206 HG3 GLU 24 1HG GLU 24 17.709 5.301 -8.125 207 H SER 25 HN SER 25 13.343 5.476 -8.419 208 HA SER 25 HA SER 25 13.985 2.682 -8.542 209 HB2 SER 25 2HB SER 25 12.944 2.922 -6.287 210 HB3 SER 25 1HB SER 25 11.500 3.572 -7.050 211 HG SER 25 HG SER 25 11.574 1.217 -6.524 212 H LYS 26 HN LYS 26 12.632 1.572 -10.055 213 HA LYS 26 HA LYS 26 11.566 3.227 -12.113 214 HB2 LYS 26 2HB LYS 26 10.856 1.123 -13.176 215 HB3 LYS 26 1HB LYS 26 12.531 1.059 -12.652 216 HG2 LYS 26 2HG LYS 26 11.864 -0.231 -10.680 217 HG3 LYS 26 1HG LYS 26 10.184 -0.172 -11.215 218 HD2 LYS 26 2HD LYS 26 11.222 -2.302 -11.809 219 HD3 LYS 26 1HD LYS 26 10.786 -1.384 -13.251 220 HE2 LYS 26 2HE LYS 26 12.979 -2.392 -13.509 221 HE3 LYS 26 1HE LYS 26 13.108 -0.635 -13.469 222 HZ1 LYS 26 3HZ LYS 26 14.830 -1.500 -12.122 223 HZ2 LYS 26 1HZ LYS 26 13.778 -2.544 -11.298 224 HZ3 LYS 26 2HZ LYS 26 13.671 -0.872 -11.057 225 H VAL 27 HN VAL 27 10.237 1.811 -9.261 226 HA VAL 27 HA VAL 27 7.508 2.314 -10.180 227 HB VAL 27 HB VAL 27 6.741 1.253 -8.136 228 HG11 VAL 27 1HG1 VAL 27 7.588 -1.005 -8.518 229 HG12 VAL 27 2HG1 VAL 27 8.921 -0.348 -9.468 230 HG13 VAL 27 3HG1 VAL 27 7.261 -0.175 -10.038 231 HG21 VAL 27 3HG2 VAL 27 8.302 0.278 -6.526 232 HG22 VAL 27 1HG2 VAL 27 8.479 2.030 -6.615 233 HG23 VAL 27 2HG2 VAL 27 9.657 0.983 -7.408 234 H ARG 28 HN ARG 28 9.991 3.721 -8.278 235 HA ARG 28 HA ARG 28 8.692 5.353 -6.489 236 HB2 ARG 28 2HB ARG 28 11.061 5.325 -6.513 237 HB3 ARG 28 1HB ARG 28 11.130 5.821 -8.193 238 HG2 ARG 28 2HG ARG 28 11.813 7.659 -6.873 239 HG3 ARG 28 1HG ARG 28 10.209 8.032 -7.501 240 HD2 ARG 28 2HD ARG 28 10.406 6.740 -4.833 241 HD3 ARG 28 1HD ARG 28 10.867 8.434 -4.968 242 HE ARG 28 HE ARG 28 8.202 7.379 -5.671 243 HH11 ARG 28 1HH1 ARG 28 10.307 9.959 -4.611 244 HH12 ARG 28 2HH1 ARG 28 9.007 11.013 -4.136 245 HH21 ARG 28 1HH2 ARG 28 6.472 8.764 -5.054 246 HH22 ARG 28 2HH2 ARG 28 6.827 10.337 -4.419 247 H ARG 29 HN ARG 29 9.458 6.163 -9.869 248 HA ARG 29 HA ARG 29 8.079 8.618 -9.869 249 HB2 ARG 29 2HB ARG 29 9.008 6.786 -12.072 250 HB3 ARG 29 1HB ARG 29 8.163 8.286 -12.402 251 HG2 ARG 29 2HG ARG 29 9.919 9.529 -11.228 252 HG3 ARG 29 1HG ARG 29 10.780 8.015 -10.946 253 HD2 ARG 29 2HD ARG 29 11.083 7.680 -13.300 254 HD3 ARG 29 1HD ARG 29 10.045 9.055 -13.675 255 HE ARG 29 HE ARG 29 11.936 10.261 -12.272 256 HH11 ARG 29 1HH1 ARG 29 12.251 7.836 -14.778 257 HH12 ARG 29 2HH1 ARG 29 13.788 8.424 -15.333 258 HH21 ARG 29 1HH2 ARG 29 13.951 11.048 -13.007 259 HH22 ARG 29 2HH2 ARG 29 14.754 10.239 -14.322 260 H LYS 30 HN LYS 30 7.099 5.326 -10.579 261 HA LYS 30 HA LYS 30 4.747 5.970 -12.001 262 HB2 LYS 30 2HB LYS 30 6.086 3.723 -11.813 263 HB3 LYS 30 1HB LYS 30 5.011 3.422 -10.453 264 HG2 LYS 30 2HG LYS 30 4.115 2.408 -12.446 265 HG3 LYS 30 1HG LYS 30 3.075 3.745 -11.945 266 HD2 LYS 30 2HD LYS 30 4.153 5.196 -13.597 267 HD3 LYS 30 1HD LYS 30 5.186 3.857 -14.098 268 HE2 LYS 30 2HE LYS 30 3.134 2.591 -14.714 269 HE3 LYS 30 1HE LYS 30 2.188 4.034 -14.348 270 HZ1 LYS 30 3HZ LYS 30 3.418 5.230 -16.048 271 HZ2 LYS 30 1HZ LYS 30 2.659 3.864 -16.709 272 HZ3 LYS 30 2HZ LYS 30 4.329 3.847 -16.399 273 H ILE 31 HN ILE 31 5.328 5.134 -8.602 274 HA ILE 31 HA ILE 31 2.649 5.094 -7.756 275 HB ILE 31 HB ILE 31 5.100 5.894 -6.163 276 HG12 ILE 31 2HG1 ILE 31 3.738 3.202 -6.349 277 HG13 ILE 31 1HG1 ILE 31 5.183 3.636 -7.257 278 HG21 ILE 31 1HG2 ILE 31 3.789 5.228 -4.199 279 HG22 ILE 31 2HG2 ILE 31 2.383 4.965 -5.230 280 HG23 ILE 31 3HG2 ILE 31 3.055 6.587 -5.047 281 HD11 ILE 31 3HD1 ILE 31 5.692 2.320 -5.261 282 HD12 ILE 31 1HD1 ILE 31 4.964 3.570 -4.255 283 HD13 ILE 31 2HD1 ILE 31 6.416 3.926 -5.191 284 H MET 32 HN MET 32 4.996 7.765 -7.847 285 HA MET 32 HA MET 32 3.171 9.662 -6.741 286 HB2 MET 32 2HB MET 32 5.876 9.626 -7.139 287 HB3 MET 32 1HB MET 32 5.346 10.730 -8.403 288 HG2 MET 32 2HG MET 32 4.271 12.149 -6.788 289 HG3 MET 32 1HG MET 32 4.618 11.005 -5.495 290 HE1 MET 32 3HE MET 32 5.680 12.928 -4.019 291 HE2 MET 32 1HE MET 32 5.334 14.103 -5.287 292 HE3 MET 32 2HE MET 32 6.951 14.012 -4.588 293 H ASP 33 HN ASP 33 4.023 8.633 -9.968 294 HA ASP 33 HA ASP 33 2.705 10.718 -11.374 295 HB2 ASP 33 2HB ASP 33 4.433 9.186 -12.350 296 HB3 ASP 33 1HB ASP 33 3.246 7.888 -12.310 297 H MET 34 HN MET 34 1.660 7.826 -9.809 298 HA MET 34 HA MET 34 -0.921 7.711 -11.074 299 HB2 MET 34 2HB MET 34 0.322 6.280 -8.737 300 HB3 MET 34 1HB MET 34 -1.376 6.080 -9.128 301 HG2 MET 34 2HG MET 34 -0.680 5.362 -11.419 302 HG3 MET 34 1HG MET 34 0.987 5.388 -10.847 303 HE1 MET 34 3HE MET 34 0.803 2.660 -7.981 304 HE2 MET 34 1HE MET 34 0.513 4.391 -7.815 305 HE3 MET 34 2HE MET 34 1.851 3.815 -8.808 306 H GLY 35 HN GLY 35 0.322 9.898 -9.015 307 HA2 GLY 35 2HA GLY 35 -1.025 11.721 -8.288 308 HA3 GLY 35 1HA GLY 35 -2.377 10.613 -8.109 309 H ILE 36 HN ILE 36 0.001 8.909 -6.812 310 HA ILE 36 HA ILE 36 -0.800 9.587 -4.122 311 HB ILE 36 HB ILE 36 1.211 7.527 -5.044 312 HG12 ILE 36 2HG1 ILE 36 -1.702 7.154 -4.319 313 HG13 ILE 36 1HG1 ILE 36 -1.088 7.208 -5.969 314 HG21 ILE 36 1HG2 ILE 36 1.459 8.143 -2.697 315 HG22 ILE 36 2HG2 ILE 36 0.833 6.502 -2.855 316 HG23 ILE 36 3HG2 ILE 36 -0.253 7.822 -2.422 317 HD11 ILE 36 3HD1 ILE 36 -1.449 4.926 -5.261 318 HD12 ILE 36 1HD1 ILE 36 -0.387 5.164 -3.872 319 HD13 ILE 36 2HD1 ILE 36 0.272 5.222 -5.507 320 H VAL 37 HN VAL 37 0.412 10.567 -2.585 321 HA VAL 37 HA VAL 37 3.170 11.295 -3.266 322 HB VAL 37 HB VAL 37 2.653 13.577 -2.123 323 HG11 VAL 37 1HG1 VAL 37 2.052 14.547 -4.307 324 HG12 VAL 37 2HG1 VAL 37 1.697 12.928 -4.910 325 HG13 VAL 37 3HG1 VAL 37 3.343 13.352 -4.437 326 HG21 VAL 37 3HG2 VAL 37 0.380 14.408 -2.562 327 HG22 VAL 37 1HG2 VAL 37 0.376 13.077 -1.407 328 HG23 VAL 37 2HG2 VAL 37 -0.105 12.795 -3.080 329 H ARG 38 HN ARG 38 1.276 12.446 -0.523 330 HA ARG 38 HA ARG 38 2.310 10.406 1.233 331 HB2 ARG 38 2HB ARG 38 4.170 12.011 1.250 332 HB3 ARG 38 1HB ARG 38 3.058 13.313 1.654 333 HG2 ARG 38 2HG ARG 38 2.547 12.215 3.781 334 HG3 ARG 38 1HG ARG 38 3.664 10.912 3.373 335 HD2 ARG 38 2HD ARG 38 4.443 13.811 3.626 336 HD3 ARG 38 1HD ARG 38 4.602 12.624 4.918 337 HE ARG 38 HE ARG 38 6.028 12.422 2.340 338 HH11 ARG 38 1HH1 ARG 38 5.889 11.989 5.823 339 HH12 ARG 38 2HH1 ARG 38 7.549 11.475 5.937 340 HH21 ARG 38 1HH2 ARG 38 8.197 11.733 2.509 341 HH22 ARG 38 2HH2 ARG 38 8.843 11.318 4.072 342 H GLY 39 HN GLY 39 1.044 10.159 3.038 343 HA2 GLY 39 2HA GLY 39 -0.720 10.628 4.499 344 HA3 GLY 39 1HA GLY 39 -1.025 12.121 3.620 345 H THR 40 HN THR 40 -0.763 10.150 1.184 346 HA THR 40 HA THR 40 -3.510 9.870 0.654 347 HB THR 40 HB THR 40 -1.406 8.168 -0.653 348 HG1 THR 40 1HG THR 40 -1.912 10.915 -1.288 349 HG21 THR 40 3HG2 THR 40 -3.759 7.917 -1.340 350 HG22 THR 40 1HG2 THR 40 -2.750 8.540 -2.646 351 HG23 THR 40 2HG2 THR 40 -3.808 9.632 -1.751 352 H GLU 41 HN GLU 41 -4.809 7.983 0.660 353 HA GLU 41 HA GLU 41 -3.988 6.044 2.672 354 HB2 GLU 41 2HB GLU 41 -6.391 5.487 2.737 355 HB3 GLU 41 1HB GLU 41 -6.081 7.176 3.090 356 HG2 GLU 41 2HG GLU 41 -6.748 7.789 0.846 357 HG3 GLU 41 1HG GLU 41 -6.984 6.090 0.438 358 H ILE 42 HN ILE 42 -4.078 3.884 2.388 359 HA ILE 42 HA ILE 42 -4.682 2.856 -0.299 360 HB ILE 42 HB ILE 42 -2.342 2.100 1.455 361 HG12 ILE 42 2HG1 ILE 42 -2.470 3.201 -1.361 362 HG13 ILE 42 1HG1 ILE 42 -1.972 4.090 0.075 363 HG21 ILE 42 1HG2 ILE 42 -3.358 0.088 0.524 364 HG22 ILE 42 2HG2 ILE 42 -1.797 0.404 -0.235 365 HG23 ILE 42 3HG2 ILE 42 -3.289 0.788 -1.094 366 HD11 ILE 42 3HD1 ILE 42 -0.558 1.697 -1.078 367 HD12 ILE 42 1HD1 ILE 42 -0.049 2.628 0.330 368 HD13 ILE 42 2HD1 ILE 42 -0.066 3.381 -1.266 369 H TYR 43 HN TYR 43 -6.335 1.510 -0.131 370 HA TYR 43 HA TYR 43 -6.702 0.015 2.371 371 HB2 TYR 43 2HB TYR 43 -8.637 1.346 1.783 372 HB3 TYR 43 1HB TYR 43 -8.654 0.678 0.155 373 HD1 TYR 43 2HD TYR 43 -8.816 -0.487 3.707 374 HD2 TYR 43 1HD TYR 43 -10.148 -1.024 -0.299 375 HE1 TYR 43 2HE TYR 43 -10.339 -2.269 4.458 376 HE2 TYR 43 1HE TYR 43 -11.667 -2.807 0.441 377 HH TYR 43 HH TYR 43 -11.929 -4.369 2.254 378 H ILE 44 HN ILE 44 -5.665 -1.865 2.240 379 HA ILE 44 HA ILE 44 -5.355 -3.330 -0.214 380 HB ILE 44 HB ILE 44 -4.915 -4.303 2.619 381 HG12 ILE 44 2HG1 ILE 44 -2.940 -3.019 0.716 382 HG13 ILE 44 1HG1 ILE 44 -3.618 -2.252 2.149 383 HG21 ILE 44 1HG2 ILE 44 -3.831 -5.286 -0.020 384 HG22 ILE 44 2HG2 ILE 44 -5.038 -6.095 0.979 385 HG23 ILE 44 3HG2 ILE 44 -3.386 -5.912 1.567 386 HD11 ILE 44 3HD1 ILE 44 -1.862 -4.695 2.116 387 HD12 ILE 44 1HD1 ILE 44 -2.543 -3.935 3.553 388 HD13 ILE 44 2HD1 ILE 44 -1.372 -3.061 2.565 389 H GLU 45 HN GLU 45 -7.252 -4.082 -1.080 390 HA GLU 45 HA GLU 45 -9.314 -5.085 0.684 391 HB2 GLU 45 2HB GLU 45 -10.579 -5.425 -1.456 392 HB3 GLU 45 1HB GLU 45 -10.107 -3.775 -1.109 393 HG2 GLU 45 2HG GLU 45 -8.231 -4.004 -2.676 394 HG3 GLU 45 1HG GLU 45 -8.778 -5.637 -3.055 395 H GLY 46 HN GLY 46 -6.818 -6.322 -1.347 396 HA2 GLY 46 2HA GLY 46 -6.630 -8.767 -0.118 397 HA3 GLY 46 1HA GLY 46 -7.787 -9.018 -1.417 398 H LYS 47 HN LYS 47 -5.935 -10.570 -1.916 399 HA LYS 47 HA LYS 47 -4.109 -9.209 -3.781 400 HB2 LYS 47 2HB LYS 47 -3.541 -11.786 -2.285 401 HB3 LYS 47 1HB LYS 47 -2.450 -10.958 -3.387 402 HG2 LYS 47 2HG LYS 47 -2.292 -9.078 -1.851 403 HG3 LYS 47 1HG LYS 47 -3.429 -9.862 -0.754 404 HD2 LYS 47 2HD LYS 47 -1.196 -10.215 0.064 405 HD3 LYS 47 1HD LYS 47 -1.828 -11.749 -0.531 406 HE2 LYS 47 2HE LYS 47 -0.579 -11.483 -2.603 407 HE3 LYS 47 1HE LYS 47 0.006 -9.909 -2.065 408 HZ1 LYS 47 3HZ LYS 47 1.156 -10.995 -0.237 409 HZ2 LYS 47 1HZ LYS 47 1.666 -11.633 -1.726 410 HZ3 LYS 47 2HZ LYS 47 0.591 -12.511 -0.750 411 H ALA 48 HN ALA 48 -3.598 -10.504 -5.706 412 HA ALA 48 HA ALA 48 -5.858 -11.771 -6.822 413 HB1 ALA 48 1HB ALA 48 -4.136 -10.680 -8.184 414 HB2 ALA 48 2HB ALA 48 -4.388 -12.355 -8.684 415 HB3 ALA 48 3HB ALA 48 -2.978 -11.925 -7.713 416 HA PRO 49 HA PRO 49 -5.664 -15.898 -5.294 417 HB2 PRO 49 2HB PRO 49 -6.126 -16.841 -8.064 418 HB3 PRO 49 1HB PRO 49 -7.077 -17.123 -6.603 419 HG2 PRO 49 2HG PRO 49 -7.946 -15.451 -8.484 420 HG3 PRO 49 1HG PRO 49 -8.173 -15.086 -6.762 421 HD2 PRO 49 2HD PRO 49 -6.157 -13.984 -8.683 422 HD3 PRO 49 1HD PRO 49 -7.087 -13.146 -7.422 423 H MET 50 HN MET 50 -3.529 -14.827 -7.734 424 HA MET 50 HA MET 50 -1.897 -17.252 -7.581 425 HB2 MET 50 2HB MET 50 -2.291 -16.189 -9.795 426 HB3 MET 50 1HB MET 50 -1.473 -14.742 -9.223 427 HG2 MET 50 2HG MET 50 0.593 -15.970 -8.974 428 HG3 MET 50 1HG MET 50 -0.212 -17.465 -9.444 429 HE1 MET 50 3HE MET 50 1.053 -13.938 -10.640 430 HE2 MET 50 1HE MET 50 -0.679 -13.858 -10.965 431 HE3 MET 50 2HE MET 50 0.469 -13.900 -12.305 432 H GLY 51 HN GLY 51 -2.324 -14.481 -5.855 433 HA2 GLY 51 2HA GLY 51 -1.072 -13.805 -3.993 434 HA3 GLY 51 1HA GLY 51 0.314 -14.680 -4.625 435 H ASP 52 HN ASP 52 -0.559 -13.228 -7.250 436 HA ASP 52 HA ASP 52 0.362 -10.516 -6.769 437 HB2 ASP 52 2HB ASP 52 2.426 -12.020 -7.040 438 HB3 ASP 52 1HB ASP 52 1.898 -12.268 -8.700 439 HA PRO 53 HA PRO 53 0.547 -8.766 -7.781 440 HB2 PRO 53 2HB PRO 53 -1.424 -6.863 -8.657 441 HB3 PRO 53 1HB PRO 53 0.261 -6.996 -9.161 442 HG2 PRO 53 2HG PRO 53 -1.896 -7.488 -10.795 443 HG3 PRO 53 1HG PRO 53 -0.273 -8.154 -11.049 444 HD2 PRO 53 2HD PRO 53 -2.685 -9.440 -9.833 445 HD3 PRO 53 1HD PRO 53 -1.462 -10.134 -10.920 446 H ILE 54 HN ILE 54 -0.679 -6.740 -6.551 447 HA ILE 54 HA ILE 54 -2.601 -8.074 -4.761 448 HB ILE 54 HB ILE 54 -0.826 -5.709 -4.120 449 HG12 ILE 54 2HG1 ILE 54 -0.460 -8.618 -3.363 450 HG13 ILE 54 1HG1 ILE 54 0.491 -7.765 -4.574 451 HG21 ILE 54 1HG2 ILE 54 -2.496 -7.503 -2.363 452 HG22 ILE 54 2HG2 ILE 54 -2.838 -5.821 -2.765 453 HG23 ILE 54 3HG2 ILE 54 -1.422 -6.224 -1.793 454 HD11 ILE 54 3HD1 ILE 54 1.331 -6.262 -2.841 455 HD12 ILE 54 1HD1 ILE 54 1.696 -7.949 -2.478 456 HD13 ILE 54 2HD1 ILE 54 0.383 -7.130 -1.634 457 H ALA 55 HN ALA 55 -4.566 -7.156 -4.429 458 HA ALA 55 HA ALA 55 -5.286 -4.922 -6.136 459 HB1 ALA 55 1HB ALA 55 -7.026 -6.613 -4.341 460 HB2 ALA 55 2HB ALA 55 -6.725 -6.914 -6.052 461 HB3 ALA 55 3HB ALA 55 -7.582 -5.457 -5.550 462 H LEU 56 HN LEU 56 -4.845 -2.969 -5.361 463 HA LEU 56 HA LEU 56 -5.416 -2.433 -2.513 464 HB2 LEU 56 2HB LEU 56 -3.412 -0.978 -4.219 465 HB3 LEU 56 1HB LEU 56 -3.639 -0.831 -2.492 466 HG LEU 56 HG LEU 56 -2.638 -3.340 -3.838 467 HD11 LEU 56 1HD1 LEU 56 -0.429 -2.698 -3.026 468 HD12 LEU 56 2HD1 LEU 56 -1.080 -1.174 -2.424 469 HD13 LEU 56 3HD1 LEU 56 -1.054 -1.499 -4.157 470 HD21 LEU 56 3HD2 LEU 56 -2.702 -2.470 -0.954 471 HD22 LEU 56 1HD2 LEU 56 -1.970 -3.953 -1.567 472 HD23 LEU 56 2HD2 LEU 56 -3.713 -3.713 -1.691 473 H ARG 57 HN ARG 57 -6.865 -0.877 -2.141 474 HA ARG 57 HA ARG 57 -7.662 0.859 -4.348 475 HB2 ARG 57 2HB ARG 57 -9.475 -0.118 -2.999 476 HB3 ARG 57 1HB ARG 57 -8.810 0.637 -1.554 477 HG2 ARG 57 2HG ARG 57 -9.067 2.841 -2.859 478 HG3 ARG 57 1HG ARG 57 -10.146 1.919 -3.901 479 HD2 ARG 57 2HD ARG 57 -11.673 1.540 -2.185 480 HD3 ARG 57 1HD ARG 57 -10.499 1.930 -0.927 481 HE ARG 57 HE ARG 57 -11.921 3.857 -2.636 482 HH11 ARG 57 1HH1 ARG 57 -9.799 3.179 0.061 483 HH12 ARG 57 2HH1 ARG 57 -9.864 4.796 0.708 484 HH21 ARG 57 1HH2 ARG 57 -12.037 5.998 -1.788 485 HH22 ARG 57 2HH2 ARG 57 -11.150 6.381 -0.340 486 H LEU 58 HN LEU 58 -6.194 2.416 -4.605 487 HA LEU 58 HA LEU 58 -5.339 3.882 -2.208 488 HB2 LEU 58 2HB LEU 58 -3.259 4.415 -3.667 489 HB3 LEU 58 1HB LEU 58 -3.364 2.887 -2.820 490 HG LEU 58 HG LEU 58 -4.233 1.910 -5.023 491 HD11 LEU 58 1HD1 LEU 58 -4.745 3.998 -6.157 492 HD12 LEU 58 2HD1 LEU 58 -3.537 3.077 -7.052 493 HD13 LEU 58 3HD1 LEU 58 -3.047 4.469 -6.085 494 HD21 LEU 58 3HD2 LEU 58 -1.407 2.929 -4.820 495 HD22 LEU 58 1HD2 LEU 58 -1.950 1.624 -5.873 496 HD23 LEU 58 2HD2 LEU 58 -2.036 1.439 -4.122 497 H ARG 59 HN ARG 59 -5.179 6.080 -2.324 498 HA ARG 59 HA ARG 59 -5.576 8.206 -3.011 499 HB2 ARG 59 2HB ARG 59 -4.382 7.582 -5.094 500 HB3 ARG 59 1HB ARG 59 -5.908 7.055 -5.787 501 HG2 ARG 59 2HG ARG 59 -6.767 9.338 -5.614 502 HG3 ARG 59 1HG ARG 59 -5.218 9.863 -4.945 503 HD2 ARG 59 2HD ARG 59 -4.116 9.059 -7.015 504 HD3 ARG 59 1HD ARG 59 -5.707 8.687 -7.677 505 HE ARG 59 HE ARG 59 -5.193 11.427 -6.792 506 HH11 ARG 59 1HH1 ARG 59 -5.569 9.137 -9.426 507 HH12 ARG 59 2HH1 ARG 59 -5.803 10.367 -10.633 508 HH21 ARG 59 1HH2 ARG 59 -5.486 13.044 -8.370 509 HH22 ARG 59 2HH2 ARG 59 -5.784 12.600 -10.024 510 H GLY 60 HN GLY 60 -7.738 5.827 -4.519 511 HA2 GLY 60 2HA GLY 60 -10.028 6.650 -3.150 512 HA3 GLY 60 1HA GLY 60 -10.008 7.505 -4.685 513 H TYR 61 HN TYR 61 -8.585 5.176 -5.932 514 HA TYR 61 HA TYR 61 -10.925 3.413 -6.202 515 HB2 TYR 61 2HB TYR 61 -9.995 3.135 -8.621 516 HB3 TYR 61 1HB TYR 61 -10.955 4.550 -8.222 517 HD1 TYR 61 1HD TYR 61 -7.567 3.327 -8.965 518 HD2 TYR 61 2HD TYR 61 -9.958 6.755 -8.166 519 HE1 TYR 61 1HE TYR 61 -5.729 4.779 -9.713 520 HE2 TYR 61 2HE TYR 61 -8.126 8.211 -8.911 521 HH TYR 61 HH TYR 61 -5.398 7.040 -10.575 522 H SER 62 HN SER 62 -10.470 1.242 -6.915 523 HA SER 62 HA SER 62 -8.058 0.228 -5.696 524 HB2 SER 62 2HB SER 62 -10.182 -1.446 -6.975 525 HB3 SER 62 1HB SER 62 -9.147 -1.822 -5.615 526 HG SER 62 HG SER 62 -10.771 -1.238 -4.451 527 H LEU 63 HN LEU 63 -6.384 -0.573 -6.739 528 HA LEU 63 HA LEU 63 -6.638 -1.453 -9.514 529 HB2 LEU 63 2HB LEU 63 -4.652 0.593 -8.526 530 HB3 LEU 63 1HB LEU 63 -4.390 -0.340 -9.985 531 HG LEU 63 HG LEU 63 -6.691 1.561 -9.517 532 HD11 LEU 63 1HD1 LEU 63 -4.569 2.725 -9.756 533 HD12 LEU 63 2HD1 LEU 63 -5.566 2.951 -11.193 534 HD13 LEU 63 3HD1 LEU 63 -4.219 1.813 -11.225 535 HD21 LEU 63 3HD2 LEU 63 -7.195 1.204 -11.871 536 HD22 LEU 63 1HD2 LEU 63 -7.265 -0.322 -10.987 537 HD23 LEU 63 2HD2 LEU 63 -5.867 0.050 -11.997 538 H SER 64 HN SER 64 -5.043 -3.002 -10.107 539 HA SER 64 HA SER 64 -3.898 -4.375 -7.836 540 HB2 SER 64 2HB SER 64 -3.203 -5.945 -9.849 541 HB3 SER 64 1HB SER 64 -4.846 -5.949 -9.213 542 HG SER 64 HG SER 64 -5.124 -5.708 -11.349 543 H LEU 65 HN LEU 65 -2.020 -3.709 -7.125 544 HA LEU 65 HA LEU 65 0.018 -2.799 -9.035 545 HB2 LEU 65 2HB LEU 65 -0.307 -2.402 -6.066 546 HB3 LEU 65 1HB LEU 65 1.230 -2.127 -6.859 547 HG LEU 65 HG LEU 65 0.138 -0.018 -6.585 548 HD11 LEU 65 1HD1 LEU 65 -0.109 -0.900 -9.454 549 HD12 LEU 65 2HD1 LEU 65 1.366 -0.340 -8.666 550 HD13 LEU 65 3HD1 LEU 65 0.007 0.764 -8.880 551 HD21 LEU 65 3HD2 LEU 65 -2.155 -0.800 -6.330 552 HD22 LEU 65 1HD2 LEU 65 -2.218 -1.205 -8.045 553 HD23 LEU 65 2HD2 LEU 65 -2.055 0.478 -7.541 554 H ARG 66 HN ARG 66 2.120 -3.716 -8.973 555 HA ARG 66 HA ARG 66 1.935 -6.554 -8.435 556 HB2 ARG 66 2HB ARG 66 4.090 -4.876 -9.723 557 HB3 ARG 66 1HB ARG 66 4.241 -6.606 -9.469 558 HG2 ARG 66 2HG ARG 66 3.584 -6.314 -11.713 559 HG3 ARG 66 1HG ARG 66 2.150 -6.876 -10.852 560 HD2 ARG 66 2HD ARG 66 1.246 -4.657 -10.791 561 HD3 ARG 66 1HD ARG 66 2.737 -3.981 -11.447 562 HE ARG 66 HE ARG 66 1.878 -5.803 -13.324 563 HH11 ARG 66 1HH1 ARG 66 0.589 -2.922 -11.825 564 HH12 ARG 66 2HH1 ARG 66 -0.358 -2.465 -13.201 565 HH21 ARG 66 1HH2 ARG 66 0.637 -5.204 -15.159 566 HH22 ARG 66 2HH2 ARG 66 -0.335 -3.758 -15.102 567 H LYS 67 HN LYS 67 3.678 -7.708 -7.375 568 HA LYS 67 HA LYS 67 4.181 -7.071 -4.776 569 HB2 LYS 67 2HB LYS 67 4.618 -9.230 -6.007 570 HB3 LYS 67 1HB LYS 67 6.131 -8.528 -6.553 571 HG2 LYS 67 2HG LYS 67 6.858 -8.313 -4.230 572 HG3 LYS 67 1HG LYS 67 5.348 -9.053 -3.699 573 HD2 LYS 67 2HD LYS 67 7.372 -10.361 -5.516 574 HD3 LYS 67 1HD LYS 67 7.240 -10.649 -3.785 575 HE2 LYS 67 2HE LYS 67 6.098 -12.440 -4.770 576 HE3 LYS 67 1HE LYS 67 4.828 -11.339 -4.248 577 HZ1 LYS 67 3HZ LYS 67 4.523 -10.588 -6.481 578 HZ2 LYS 67 1HZ LYS 67 4.509 -12.281 -6.501 579 HZ3 LYS 67 2HZ LYS 67 5.882 -11.445 -7.028 580 H SER 68 HN SER 68 6.103 -6.114 -7.570 581 HA SER 68 HA SER 68 8.356 -5.152 -6.245 582 HB2 SER 68 2HB SER 68 7.160 -4.168 -8.842 583 HB3 SER 68 1HB SER 68 8.828 -3.940 -8.310 584 HG SER 68 HG SER 68 9.056 -5.737 -9.437 585 H GLU 69 HN GLU 69 5.461 -3.370 -7.324 586 HA GLU 69 HA GLU 69 6.297 -0.856 -6.358 587 HB2 GLU 69 2HB GLU 69 3.482 -1.882 -6.777 588 HB3 GLU 69 1HB GLU 69 3.913 -0.200 -6.531 589 HG2 GLU 69 2HG GLU 69 3.717 -0.247 -8.792 590 HG3 GLU 69 1HG GLU 69 5.432 -0.616 -8.627 591 H ALA 70 HN ALA 70 4.177 -3.319 -4.919 592 HA ALA 70 HA ALA 70 3.516 -1.895 -2.589 593 HB1 ALA 70 1HB ALA 70 3.653 -4.886 -2.965 594 HB2 ALA 70 2HB ALA 70 2.279 -3.861 -3.379 595 HB3 ALA 70 3HB ALA 70 2.775 -4.033 -1.694 596 H LYS 71 HN LYS 71 6.379 -3.568 -3.478 597 HA LYS 71 HA LYS 71 7.342 -4.010 -0.806 598 HB2 LYS 71 2HB LYS 71 7.916 -5.424 -2.791 599 HB3 LYS 71 1HB LYS 71 8.844 -4.080 -3.432 600 HG2 LYS 71 2HG LYS 71 9.502 -5.057 -0.710 601 HG3 LYS 71 1HG LYS 71 9.960 -6.054 -2.087 602 HD2 LYS 71 2HD LYS 71 10.711 -3.155 -1.709 603 HD3 LYS 71 1HD LYS 71 11.759 -4.528 -1.361 604 HE2 LYS 71 2HE LYS 71 12.460 -3.875 -3.470 605 HE3 LYS 71 1HE LYS 71 11.332 -5.181 -3.826 606 HZ1 LYS 71 3HZ LYS 71 9.623 -3.506 -4.267 607 HZ2 LYS 71 1HZ LYS 71 10.964 -3.301 -5.285 608 HZ3 LYS 71 2HZ LYS 71 10.740 -2.271 -3.955 609 H ASP 72 HN ASP 72 7.355 -1.383 -3.039 610 HA ASP 72 HA ASP 72 9.613 -0.096 -1.666 611 HB2 ASP 72 2HB ASP 72 8.462 0.129 -4.394 612 HB3 ASP 72 1HB ASP 72 9.157 1.585 -3.698 613 H ILE 73 HN ILE 73 6.568 -0.294 -1.001 614 HA ILE 73 HA ILE 73 6.202 2.590 -0.495 615 HB ILE 73 HB ILE 73 4.059 0.451 -0.567 616 HG12 ILE 73 2HG1 ILE 73 4.651 2.645 -2.570 617 HG13 ILE 73 1HG1 ILE 73 5.018 0.939 -2.804 618 HG21 ILE 73 1HG2 ILE 73 3.541 2.281 0.960 619 HG22 ILE 73 2HG2 ILE 73 2.489 2.325 -0.455 620 HG23 ILE 73 3HG2 ILE 73 3.840 3.451 -0.327 621 HD11 ILE 73 3HD1 ILE 73 2.263 2.095 -2.438 622 HD12 ILE 73 1HD1 ILE 73 2.653 0.402 -2.735 623 HD13 ILE 73 2HD1 ILE 73 2.985 1.612 -3.973 624 H LEU 74 HN LEU 74 6.303 3.235 1.582 625 HA LEU 74 HA LEU 74 6.043 1.183 3.669 626 HB2 LEU 74 2HB LEU 74 7.602 3.767 3.686 627 HB3 LEU 74 1HB LEU 74 7.404 2.721 5.074 628 HG LEU 74 HG LEU 74 8.464 0.904 3.532 629 HD11 LEU 74 1HD1 LEU 74 8.420 2.216 1.482 630 HD12 LEU 74 2HD1 LEU 74 10.071 1.787 1.933 631 HD13 LEU 74 3HD1 LEU 74 9.472 3.421 2.223 632 HD21 LEU 74 3HD2 LEU 74 10.692 1.558 4.300 633 HD22 LEU 74 1HD2 LEU 74 9.479 1.741 5.567 634 HD23 LEU 74 2HD2 LEU 74 10.076 3.159 4.707 635 H VAL 75 HN VAL 75 4.403 1.372 5.049 636 HA VAL 75 HA VAL 75 2.881 3.900 5.028 637 HB VAL 75 HB VAL 75 0.787 2.548 4.979 638 HG11 VAL 75 1HG1 VAL 75 1.657 3.586 2.938 639 HG12 VAL 75 2HG1 VAL 75 0.840 2.063 2.589 640 HG13 VAL 75 3HG1 VAL 75 2.602 2.135 2.605 641 HG21 VAL 75 3HG2 VAL 75 1.660 0.437 5.799 642 HG22 VAL 75 1HG2 VAL 75 2.678 0.278 4.368 643 HG23 VAL 75 2HG2 VAL 75 0.923 0.205 4.212 644 H GLU 76 HN GLU 76 1.432 4.202 6.798 645 HA GLU 76 HA GLU 76 2.116 2.640 9.197 646 HB2 GLU 76 2HB GLU 76 1.227 4.491 10.514 647 HB3 GLU 76 1HB GLU 76 2.477 5.069 9.424 648 HG2 GLU 76 2HG GLU 76 0.877 6.053 7.971 649 HG3 GLU 76 1HG GLU 76 -0.459 5.270 8.813 650 H VAL 77 HN VAL 77 0.314 2.165 10.666 651 HA VAL 77 HA VAL 77 -1.890 1.086 9.139 652 HB VAL 77 HB VAL 77 -1.316 0.882 12.099 653 HG11 VAL 77 1HG1 VAL 77 -2.799 -1.072 12.023 654 HG12 VAL 77 2HG1 VAL 77 -3.150 -0.727 10.328 655 HG13 VAL 77 3HG1 VAL 77 -3.638 0.414 11.582 656 HG21 VAL 77 3HG2 VAL 77 0.514 -0.054 10.819 657 HG22 VAL 77 1HG2 VAL 77 -0.616 -1.004 9.851 658 HG23 VAL 77 2HG2 VAL 77 -0.421 -1.348 11.570 659 H LEU 78 HN LEU 78 -3.807 2.055 8.902 660 HA LEU 78 HA LEU 78 -4.438 4.363 10.575 661 HB2 LEU 78 2HB LEU 78 -5.616 3.313 8.015 662 HB3 LEU 78 1HB LEU 78 -6.359 4.609 8.928 663 HG LEU 78 HG LEU 78 -3.624 4.661 7.651 664 HD11 LEU 78 1HD1 LEU 78 -4.597 6.380 6.221 665 HD12 LEU 78 2HD1 LEU 78 -6.156 6.167 7.016 666 HD13 LEU 78 3HD1 LEU 78 -5.466 4.854 6.063 667 HD21 LEU 78 3HD2 LEU 78 -3.543 6.996 8.367 668 HD22 LEU 78 1HD2 LEU 78 -3.634 5.904 9.749 669 HD23 LEU 78 2HD2 LEU 78 -5.068 6.789 9.229 670 H LEU 79 HN LEU 79 -4.993 1.140 10.612 671 HA LEU 79 HA LEU 79 -7.696 0.982 11.359 672 HB2 LEU 79 2HB LEU 79 -5.420 -0.883 12.015 673 HB3 LEU 79 1HB LEU 79 -7.120 -1.253 12.205 674 HG LEU 79 HG LEU 79 -5.714 -0.736 9.585 675 HD11 LEU 79 1HD1 LEU 79 -6.831 -3.275 10.768 676 HD12 LEU 79 2HD1 LEU 79 -5.121 -2.875 10.606 677 HD13 LEU 79 3HD1 LEU 79 -6.114 -3.104 9.166 678 HD21 LEU 79 3HD2 LEU 79 -7.817 -1.398 8.547 679 HD22 LEU 79 1HD2 LEU 79 -8.040 0.032 9.554 680 HD23 LEU 79 2HD2 LEU 79 -8.568 -1.548 10.135 681 H GLU 80 HN GLU 80 -8.077 2.570 12.903 682 HA GLU 80 HA GLU 80 -6.800 2.177 15.515 683 HB2 GLU 80 2HB GLU 80 -6.843 4.487 14.595 684 HB3 GLU 80 1HB GLU 80 -8.600 4.426 14.574 685 HG2 GLU 80 2HG GLU 80 -8.616 4.183 17.009 686 HG3 GLU 80 1HG GLU 80 -6.856 4.254 17.025 687 H HIS 81 HN HIS 81 -8.162 2.067 17.405 688 HA HIS 81 HA HIS 81 -9.869 1.247 18.648 689 HB2 HIS 81 2HB HIS 81 -11.602 1.486 16.172 690 HB3 HIS 81 1HB HIS 81 -12.168 1.220 17.817 691 HD1 HIS 81 1HD HIS 81 -11.854 3.263 19.501 692 HD2 HIS 81 2HD HIS 81 -11.167 4.111 15.485 693 HE1 HIS 81 1HE HIS 81 -11.887 5.773 19.317 694 HE2 HIS 81 2HE HIS 81 -11.234 6.251 16.933 695 H HIS 82 HN HIS 82 -9.506 -0.733 19.213 696 HA HIS 82 HA HIS 82 -9.289 -2.989 19.230 697 HB2 HIS 82 2HB HIS 82 -11.376 -3.058 17.812 698 HB3 HIS 82 1HB HIS 82 -10.337 -3.055 16.392 699 HD1 HIS 82 1HD HIS 82 -9.279 -5.257 15.714 700 HD2 HIS 82 2HD HIS 82 -11.237 -5.434 19.378 701 HE1 HIS 82 1HE HIS 82 -9.344 -7.692 16.331 702 HE2 HIS 82 2HE HIS 82 -10.692 -7.792 18.456 703 H HIS 83 HN HIS 83 -7.425 -4.034 19.057 704 HA HIS 83 HA HIS 83 -5.367 -2.756 17.469 705 HB2 HIS 83 2HB HIS 83 -5.102 -5.126 19.338 706 HB3 HIS 83 1HB HIS 83 -3.802 -4.099 18.739 707 HD1 HIS 83 1HD HIS 83 -3.861 -1.546 19.633 708 HD2 HIS 83 2HD HIS 83 -6.266 -4.281 21.650 709 HE1 HIS 83 1HE HIS 83 -4.484 -0.439 21.809 710 HE2 HIS 83 2HE HIS 83 -6.090 -2.037 22.915 711 H HIS 84 HN HIS 84 -3.792 -4.069 16.205 712 HA HIS 84 HA HIS 84 -4.867 -6.555 15.147 713 HB2 HIS 84 2HB HIS 84 -5.737 -4.452 13.844 714 HB3 HIS 84 1HB HIS 84 -4.125 -4.465 13.136 715 HD1 HIS 84 1HD HIS 84 -7.406 -6.106 12.977 716 HD2 HIS 84 2HD HIS 84 -3.549 -6.844 11.603 717 HE1 HIS 84 1HE HIS 84 -7.638 -7.898 11.232 718 HE2 HIS 84 2HE HIS 84 -5.301 -8.345 10.413 719 H HIS 85 HN HIS 85 -3.113 -7.642 15.848 720 HA HIS 85 HA HIS 85 -0.764 -7.422 14.158 721 HB2 HIS 85 2HB HIS 85 -0.680 -6.996 17.126 722 HB3 HIS 85 1HB HIS 85 0.649 -7.845 16.349 723 HD1 HIS 85 1HD HIS 85 -0.145 -4.633 17.467 724 HD2 HIS 85 2HD HIS 85 1.539 -6.102 13.960 725 HE1 HIS 85 1HE HIS 85 1.103 -2.703 16.452 726 HE2 HIS 85 2HE HIS 85 2.304 -3.686 14.472 727 H HIS 86 HN HIS 86 -0.148 -9.396 13.540 728 HA HIS 86 HA HIS 86 -1.301 -11.670 14.985 729 HB2 HIS 86 2HB HIS 86 -0.900 -13.015 13.021 730 HB3 HIS 86 1HB HIS 86 -1.726 -11.543 12.537 731 HD1 HIS 86 1HD HIS 86 1.325 -13.519 11.969 732 HD2 HIS 86 2HD HIS 86 -0.063 -9.698 11.090 733 HE1 HIS 86 1HE HIS 86 2.844 -12.643 10.164 734 HE2 HIS 86 2HE HIS 86 2.014 -10.310 9.675 Start of MODEL 20 1 H1 MET 1 H1 MET 1 0.948 7.187 16.887 2 H2 MET 1 H2 MET 1 0.249 5.651 17.045 3 H3 MET 1 H3 MET 1 -0.485 6.821 16.060 4 HA MET 1 HA MET 1 0.731 5.076 14.832 5 HB2 MET 1 2HB MET 1 1.407 7.989 14.596 6 HB3 MET 1 1HB MET 1 2.136 6.824 13.502 7 HG2 MET 1 2HG MET 1 0.162 7.890 12.543 8 HG3 MET 1 1HG MET 1 -0.036 6.149 12.706 9 HE1 MET 1 2HE MET 1 -2.451 8.189 12.171 10 HE2 MET 1 3HE MET 1 -3.664 7.495 13.246 11 HE3 MET 1 1HE MET 1 -2.623 6.437 12.292 12 H THR 2 HN THR 2 2.389 3.728 14.933 13 HA THR 2 HA THR 2 4.677 4.460 16.589 14 HB THR 2 HB THR 2 4.038 1.750 15.407 15 HG1 THR 2 1HG THR 2 3.325 2.924 17.914 16 HG21 THR 2 3HG2 THR 2 5.791 2.586 17.723 17 HG22 THR 2 1HG2 THR 2 6.358 2.040 16.144 18 HG23 THR 2 2HG2 THR 2 5.494 0.928 17.205 19 H LYS 3 HN LYS 3 4.692 2.226 13.848 20 HA LYS 3 HA LYS 3 6.420 3.994 12.326 21 HB2 LYS 3 2HB LYS 3 7.325 1.411 13.553 22 HB3 LYS 3 1HB LYS 3 7.991 1.920 12.006 23 HG2 LYS 3 2HG LYS 3 8.793 3.981 12.994 24 HG3 LYS 3 1HG LYS 3 8.060 3.551 14.540 25 HD2 LYS 3 2HD LYS 3 9.562 1.724 14.830 26 HD3 LYS 3 1HD LYS 3 10.157 1.875 13.176 27 HE2 LYS 3 2HE LYS 3 11.733 2.795 14.831 28 HE3 LYS 3 1HE LYS 3 11.165 4.010 13.689 29 HZ1 LYS 3 3HZ LYS 3 10.128 3.629 16.449 30 HZ2 LYS 3 1HZ LYS 3 9.624 4.823 15.355 31 HZ3 LYS 3 2HZ LYS 3 11.206 4.844 15.962 32 H GLY 4 HN GLY 4 7.086 2.785 10.220 33 HA2 GLY 4 2HA GLY 4 4.618 1.499 9.251 34 HA3 GLY 4 1HA GLY 4 5.580 2.614 8.298 35 H ILE 5 HN ILE 5 4.800 0.110 7.441 36 HA ILE 5 HA ILE 5 7.412 -1.228 7.173 37 HB ILE 5 HB ILE 5 6.200 -3.365 6.853 38 HG12 ILE 5 2HG1 ILE 5 3.783 -1.794 7.786 39 HG13 ILE 5 1HG1 ILE 5 4.030 -2.435 6.165 40 HG21 ILE 5 1HG2 ILE 5 7.163 -2.859 9.022 41 HG22 ILE 5 2HG2 ILE 5 5.653 -3.750 9.220 42 HG23 ILE 5 3HG2 ILE 5 5.693 -2.010 9.499 43 HD11 ILE 5 3HD1 ILE 5 2.505 -3.809 7.488 44 HD12 ILE 5 1HD1 ILE 5 3.785 -4.082 8.671 45 HD13 ILE 5 2HD1 ILE 5 3.956 -4.698 7.027 46 H GLY 6 HN GLY 6 7.153 -2.781 5.085 47 HA2 GLY 6 2HA GLY 6 6.578 -0.977 2.911 48 HA3 GLY 6 1HA GLY 6 7.152 -2.634 2.772 49 H LEU 7 HN LEU 7 4.973 -1.177 1.369 50 HA LEU 7 HA LEU 7 2.446 -1.872 2.310 51 HB2 LEU 7 2HB LEU 7 2.894 -0.270 0.498 52 HB3 LEU 7 1HB LEU 7 3.345 -1.597 -0.555 53 HG LEU 7 HG LEU 7 1.038 -2.484 -0.382 54 HD11 LEU 7 1HD1 LEU 7 -0.715 -1.053 0.547 55 HD12 LEU 7 2HD1 LEU 7 0.515 0.073 1.121 56 HD13 LEU 7 3HD1 LEU 7 0.437 -1.560 1.782 57 HD21 LEU 7 3HD2 LEU 7 1.678 -1.068 -2.248 58 HD22 LEU 7 1HD2 LEU 7 1.270 0.370 -1.314 59 HD23 LEU 7 2HD2 LEU 7 0.003 -0.765 -1.782 60 H ASN 8 HN ASN 8 4.773 -3.783 0.531 61 HA ASN 8 HA ASN 8 2.988 -5.871 -0.197 62 HB2 ASN 8 2HB ASN 8 4.903 -7.094 -0.908 63 HB3 ASN 8 1HB ASN 8 5.203 -5.409 -1.297 64 HD21 ASN 8 1HD2 ASN 8 5.912 -4.643 1.419 65 HD22 ASN 8 2HD2 ASN 8 7.462 -5.332 1.732 66 H GLU 9 HN GLU 9 4.060 -4.987 2.829 67 HA GLU 9 HA GLU 9 4.145 -7.735 3.840 68 HB2 GLU 9 2HB GLU 9 4.933 -5.127 5.141 69 HB3 GLU 9 1HB GLU 9 5.089 -6.710 5.866 70 HG2 GLU 9 2HG GLU 9 6.698 -7.364 4.207 71 HG3 GLU 9 1HG GLU 9 6.476 -5.842 3.350 72 H VAL 10 HN VAL 10 1.866 -5.511 3.266 73 HA VAL 10 HA VAL 10 0.569 -5.516 5.870 74 HB VAL 10 HB VAL 10 -0.511 -4.351 3.304 75 HG11 VAL 10 1HG1 VAL 10 -1.081 -3.706 6.193 76 HG12 VAL 10 2HG1 VAL 10 -2.146 -4.581 5.092 77 HG13 VAL 10 3HG1 VAL 10 -1.776 -2.882 4.797 78 HG21 VAL 10 3HG2 VAL 10 0.440 -2.197 4.058 79 HG22 VAL 10 1HG2 VAL 10 1.678 -3.393 3.671 80 HG23 VAL 10 2HG2 VAL 10 1.278 -3.052 5.353 81 H GLU 11 HN GLU 11 -1.671 -6.174 6.091 82 HA GLU 11 HA GLU 11 -2.192 -8.655 4.629 83 HB2 GLU 11 2HB GLU 11 -1.988 -8.596 7.165 84 HB3 GLU 11 1HB GLU 11 -3.505 -7.713 7.180 85 HG2 GLU 11 2HG GLU 11 -4.666 -9.581 6.221 86 HG3 GLU 11 1HG GLU 11 -3.151 -10.455 5.994 87 H ILE 12 HN ILE 12 -4.743 -9.098 4.655 88 HA ILE 12 HA ILE 12 -5.753 -7.125 2.816 89 HB ILE 12 HB ILE 12 -7.631 -8.688 2.483 90 HG12 ILE 12 2HG1 ILE 12 -6.206 -10.418 4.519 91 HG13 ILE 12 1HG1 ILE 12 -7.707 -9.547 4.815 92 HG21 ILE 12 1HG2 ILE 12 -6.310 -10.532 1.523 93 HG22 ILE 12 2HG2 ILE 12 -4.894 -9.953 2.401 94 HG23 ILE 12 3HG2 ILE 12 -5.626 -8.950 1.149 95 HD11 ILE 12 3HD1 ILE 12 -8.110 -11.898 4.360 96 HD12 ILE 12 1HD1 ILE 12 -7.312 -11.739 2.794 97 HD13 ILE 12 2HD1 ILE 12 -8.821 -10.880 3.107 98 H LYS 13 HN LYS 13 -7.869 -6.222 2.913 99 HA LYS 13 HA LYS 13 -9.579 -5.066 3.830 100 HB2 LYS 13 2HB LYS 13 -9.453 -7.089 6.072 101 HB3 LYS 13 1HB LYS 13 -10.820 -6.065 5.656 102 HG2 LYS 13 2HG LYS 13 -10.843 -7.232 3.413 103 HG3 LYS 13 1HG LYS 13 -9.701 -8.381 4.107 104 HD2 LYS 13 2HD LYS 13 -12.484 -7.794 5.120 105 HD3 LYS 13 1HD LYS 13 -11.984 -9.227 4.227 106 HE2 LYS 13 2HE LYS 13 -11.992 -9.979 6.413 107 HE3 LYS 13 1HE LYS 13 -10.302 -9.553 6.170 108 HZ1 LYS 13 3HZ LYS 13 -11.345 -8.781 8.304 109 HZ2 LYS 13 1HZ LYS 13 -12.263 -7.693 7.386 110 HZ3 LYS 13 2HZ LYS 13 -10.574 -7.574 7.404 111 H SER 14 HN SER 14 -6.960 -4.170 4.386 112 HA SER 14 HA SER 14 -7.400 -2.864 6.977 113 HB2 SER 14 2HB SER 14 -4.703 -3.782 5.972 114 HB3 SER 14 1HB SER 14 -5.075 -3.085 7.546 115 HG SER 14 HG SER 14 -6.239 -5.499 6.626 116 H LYS 15 HN LYS 15 -6.580 -0.747 7.155 117 HA LYS 15 HA LYS 15 -5.881 0.500 4.591 118 HB2 LYS 15 2HB LYS 15 -7.201 1.672 7.033 119 HB3 LYS 15 1HB LYS 15 -6.533 2.662 5.745 120 HG2 LYS 15 2HG LYS 15 -8.072 1.062 4.277 121 HG3 LYS 15 1HG LYS 15 -8.974 1.004 5.794 122 HD2 LYS 15 2HD LYS 15 -8.185 3.495 4.277 123 HD3 LYS 15 1HD LYS 15 -9.799 2.793 4.355 124 HE2 LYS 15 2HE LYS 15 -9.826 3.183 6.784 125 HE3 LYS 15 1HE LYS 15 -8.230 3.921 6.673 126 HZ1 LYS 15 3HZ LYS 15 -10.669 4.915 5.294 127 HZ2 LYS 15 1HZ LYS 15 -9.138 5.647 5.264 128 HZ3 LYS 15 2HZ LYS 15 -10.013 5.570 6.715 129 H VAL 16 HN VAL 16 -3.982 1.356 4.336 130 HA VAL 16 HA VAL 16 -2.379 2.076 6.698 131 HB VAL 16 HB VAL 16 -0.351 1.394 5.331 132 HG11 VAL 16 1HG1 VAL 16 -2.268 -0.773 6.187 133 HG12 VAL 16 2HG1 VAL 16 -1.117 0.073 7.222 134 HG13 VAL 16 3HG1 VAL 16 -0.535 -0.981 5.932 135 HG21 VAL 16 3HG2 VAL 16 -0.679 -0.267 3.573 136 HG22 VAL 16 1HG2 VAL 16 -1.466 1.255 3.153 137 HG23 VAL 16 2HG2 VAL 16 -2.429 -0.106 3.733 138 H LYS 17 HN LYS 17 -1.156 3.909 6.488 139 HA LYS 17 HA LYS 17 -1.899 5.563 4.181 140 HB2 LYS 17 2HB LYS 17 -2.580 6.419 6.348 141 HB3 LYS 17 1HB LYS 17 -0.927 6.347 6.921 142 HG2 LYS 17 2HG LYS 17 -0.356 7.984 5.083 143 HG3 LYS 17 1HG LYS 17 -2.092 8.176 4.835 144 HD2 LYS 17 2HD LYS 17 -1.254 9.930 6.289 145 HD3 LYS 17 1HD LYS 17 -2.325 8.854 7.195 146 HE2 LYS 17 2HE LYS 17 -0.245 7.609 7.894 147 HE3 LYS 17 1HE LYS 17 0.675 8.952 7.230 148 HZ1 LYS 17 3HZ LYS 17 0.100 8.933 9.710 149 HZ2 LYS 17 1HZ LYS 17 -1.443 9.435 9.219 150 HZ3 LYS 17 2HZ LYS 17 -0.081 10.383 8.847 151 H VAL 18 HN VAL 18 -0.396 6.655 3.037 152 HA VAL 18 HA VAL 18 2.181 5.418 2.905 153 HB VAL 18 HB VAL 18 1.216 7.858 1.409 154 HG11 VAL 18 1HG1 VAL 18 2.902 7.202 -0.248 155 HG12 VAL 18 2HG1 VAL 18 3.414 5.882 0.804 156 HG13 VAL 18 3HG1 VAL 18 3.627 7.554 1.321 157 HG21 VAL 18 3HG2 VAL 18 0.604 6.314 -0.388 158 HG22 VAL 18 1HG2 VAL 18 -0.320 5.996 1.080 159 HG23 VAL 18 2HG2 VAL 18 1.028 4.946 0.641 160 H ILE 19 HN ILE 19 3.285 5.894 4.789 161 HA ILE 19 HA ILE 19 3.826 8.430 5.842 162 HB ILE 19 HB ILE 19 5.886 6.238 5.636 163 HG12 ILE 19 2HG1 ILE 19 3.641 6.497 7.643 164 HG13 ILE 19 1HG1 ILE 19 3.822 5.227 6.439 165 HG21 ILE 19 1HG2 ILE 19 6.639 7.145 7.801 166 HG22 ILE 19 2HG2 ILE 19 5.407 8.402 7.680 167 HG23 ILE 19 3HG2 ILE 19 6.719 8.335 6.502 168 HD11 ILE 19 3HD1 ILE 19 5.851 4.457 7.540 169 HD12 ILE 19 1HD1 ILE 19 4.479 4.460 8.649 170 HD13 ILE 19 2HD1 ILE 19 5.690 5.740 8.740 171 H GLY 20 HN GLY 20 5.367 6.573 3.291 172 HA2 GLY 20 2HA GLY 20 5.917 8.754 1.659 173 HA3 GLY 20 1HA GLY 20 7.367 8.423 2.593 174 H ILE 21 HN ILE 21 7.538 8.260 0.015 175 HA ILE 21 HA ILE 21 7.593 5.387 -0.625 176 HB ILE 21 HB ILE 21 7.753 7.640 -2.622 177 HG12 ILE 21 2HG1 ILE 21 5.252 6.156 -1.776 178 HG13 ILE 21 1HG1 ILE 21 5.621 7.823 -1.355 179 HG21 ILE 21 1HG2 ILE 21 7.057 5.908 -4.207 180 HG22 ILE 21 2HG2 ILE 21 6.956 4.738 -2.892 181 HG23 ILE 21 3HG2 ILE 21 8.518 5.421 -3.346 182 HD11 ILE 21 3HD1 ILE 21 5.569 8.428 -3.721 183 HD12 ILE 21 1HD1 ILE 21 4.045 7.717 -3.188 184 HD13 ILE 21 2HD1 ILE 21 5.182 6.757 -4.134 185 H VAL 22 HN VAL 22 9.589 4.830 -2.005 186 HA VAL 22 HA VAL 22 11.863 6.136 -0.685 187 HB VAL 22 HB VAL 22 11.787 3.493 -2.157 188 HG11 VAL 22 1HG1 VAL 22 14.001 4.493 -2.189 189 HG12 VAL 22 2HG1 VAL 22 13.974 3.103 -1.104 190 HG13 VAL 22 3HG1 VAL 22 13.937 4.737 -0.443 191 HG21 VAL 22 3HG2 VAL 22 11.802 4.061 0.805 192 HG22 VAL 22 1HG2 VAL 22 11.890 2.467 0.057 193 HG23 VAL 22 2HG2 VAL 22 10.435 3.447 -0.124 194 HA PRO 23 HA PRO 23 11.864 8.266 -4.682 195 HB2 PRO 23 2HB PRO 23 14.055 9.763 -3.360 196 HB3 PRO 23 1HB PRO 23 12.584 10.363 -4.135 197 HG2 PRO 23 2HG PRO 23 12.815 10.371 -1.488 198 HG3 PRO 23 1HG PRO 23 11.275 9.951 -2.263 199 HD2 PRO 23 2HD PRO 23 13.347 8.147 -1.065 200 HD3 PRO 23 1HD PRO 23 11.577 8.068 -0.938 201 H GLU 24 HN GLU 24 13.570 8.980 -6.223 202 HA GLU 24 HA GLU 24 15.167 8.407 -7.711 203 HB2 GLU 24 2HB GLU 24 16.571 8.708 -5.527 204 HB3 GLU 24 1HB GLU 24 16.710 6.957 -5.586 205 HG2 GLU 24 2HG GLU 24 17.701 7.100 -7.803 206 HG3 GLU 24 1HG GLU 24 17.541 8.855 -7.766 207 H SER 25 HN SER 25 13.036 6.457 -6.549 208 HA SER 25 HA SER 25 14.022 3.992 -7.776 209 HB2 SER 25 2HB SER 25 12.803 3.915 -5.539 210 HB3 SER 25 1HB SER 25 11.363 4.447 -6.396 211 HG SER 25 HG SER 25 11.794 2.081 -6.040 212 H LYS 26 HN LYS 26 13.308 3.317 -9.712 213 HA LYS 26 HA LYS 26 11.866 5.082 -11.394 214 HB2 LYS 26 2HB LYS 26 11.838 3.029 -12.940 215 HB3 LYS 26 1HB LYS 26 13.397 3.707 -12.492 216 HG2 LYS 26 2HG LYS 26 13.556 1.970 -10.708 217 HG3 LYS 26 1HG LYS 26 12.089 1.244 -11.371 218 HD2 LYS 26 2HD LYS 26 13.159 0.750 -13.426 219 HD3 LYS 26 1HD LYS 26 14.551 1.758 -13.023 220 HE2 LYS 26 2HE LYS 26 15.070 -0.615 -12.773 221 HE3 LYS 26 1HE LYS 26 15.149 0.225 -11.224 222 HZ1 LYS 26 3HZ LYS 26 12.908 -0.607 -10.738 223 HZ2 LYS 26 1HZ LYS 26 14.024 -1.865 -10.966 224 HZ3 LYS 26 2HZ LYS 26 12.920 -1.480 -12.195 225 H VAL 27 HN VAL 27 10.815 2.734 -9.123 226 HA VAL 27 HA VAL 27 8.162 2.668 -10.344 227 HB VAL 27 HB VAL 27 7.507 1.139 -8.523 228 HG11 VAL 27 1HG1 VAL 27 8.820 -0.783 -9.283 229 HG12 VAL 27 2HG1 VAL 27 9.982 0.314 -10.031 230 HG13 VAL 27 3HG1 VAL 27 8.322 0.247 -10.627 231 HG21 VAL 27 3HG2 VAL 27 9.193 0.189 -7.045 232 HG22 VAL 27 1HG2 VAL 27 9.041 1.929 -6.798 233 HG23 VAL 27 2HG2 VAL 27 10.404 1.284 -7.713 234 H ARG 28 HN ARG 28 9.887 4.126 -7.668 235 HA ARG 28 HA ARG 28 7.802 5.166 -6.164 236 HB2 ARG 28 2HB ARG 28 10.112 5.418 -5.475 237 HB3 ARG 28 1HB ARG 28 10.476 6.393 -6.888 238 HG2 ARG 28 2HG ARG 28 8.399 7.362 -4.986 239 HG3 ARG 28 1HG ARG 28 10.097 7.477 -4.526 240 HD2 ARG 28 2HD ARG 28 10.569 8.738 -6.566 241 HD3 ARG 28 1HD ARG 28 8.878 8.607 -7.045 242 HE ARG 28 HE ARG 28 8.927 9.786 -4.528 243 HH11 ARG 28 1HH1 ARG 28 10.045 10.514 -7.766 244 HH12 ARG 28 2HH1 ARG 28 9.882 12.234 -7.562 245 HH21 ARG 28 1HH2 ARG 28 8.738 12.047 -4.258 246 HH22 ARG 28 2HH2 ARG 28 9.151 13.102 -5.581 247 H ARG 29 HN ARG 29 9.346 6.503 -9.045 248 HA ARG 29 HA ARG 29 7.786 8.768 -9.442 249 HB2 ARG 29 2HB ARG 29 9.741 8.397 -10.773 250 HB3 ARG 29 1HB ARG 29 9.109 6.879 -11.391 251 HG2 ARG 29 2HG ARG 29 7.283 8.225 -12.493 252 HG3 ARG 29 1HG ARG 29 8.209 9.667 -12.059 253 HD2 ARG 29 2HD ARG 29 10.084 8.927 -13.348 254 HD3 ARG 29 1HD ARG 29 9.332 7.360 -13.638 255 HE ARG 29 HE ARG 29 8.355 9.917 -14.749 256 HH11 ARG 29 1HH1 ARG 29 8.771 6.443 -14.929 257 HH12 ARG 29 2HH1 ARG 29 8.071 6.302 -16.513 258 HH21 ARG 29 1HH2 ARG 29 7.402 9.727 -16.843 259 HH22 ARG 29 2HH2 ARG 29 7.300 8.162 -17.590 260 H LYS 30 HN LYS 30 7.271 5.460 -10.528 261 HA LYS 30 HA LYS 30 4.978 5.840 -12.082 262 HB2 LYS 30 2HB LYS 30 6.450 3.850 -12.070 263 HB3 LYS 30 1HB LYS 30 5.834 3.425 -10.489 264 HG2 LYS 30 2HG LYS 30 3.610 3.108 -11.428 265 HG3 LYS 30 1HG LYS 30 4.225 3.543 -13.027 266 HD2 LYS 30 2HD LYS 30 5.846 1.679 -12.858 267 HD3 LYS 30 1HD LYS 30 5.104 1.214 -11.328 268 HE2 LYS 30 2HE LYS 30 3.013 0.757 -12.430 269 HE3 LYS 30 1HE LYS 30 3.649 1.355 -13.963 270 HZ1 LYS 30 3HZ LYS 30 5.323 -0.426 -13.873 271 HZ2 LYS 30 1HZ LYS 30 3.736 -1.027 -13.943 272 HZ3 LYS 30 2HZ LYS 30 4.583 -1.039 -12.468 273 H ILE 31 HN ILE 31 5.365 4.973 -8.686 274 HA ILE 31 HA ILE 31 2.642 4.559 -8.089 275 HB ILE 31 HB ILE 31 4.902 5.364 -6.253 276 HG12 ILE 31 2HG1 ILE 31 3.772 2.603 -6.682 277 HG13 ILE 31 1HG1 ILE 31 5.097 3.224 -7.658 278 HG21 ILE 31 1HG2 ILE 31 3.534 4.422 -4.457 279 HG22 ILE 31 2HG2 ILE 31 2.227 4.123 -5.605 280 HG23 ILE 31 3HG2 ILE 31 2.717 5.777 -5.239 281 HD11 ILE 31 3HD1 ILE 31 6.446 3.505 -5.651 282 HD12 ILE 31 1HD1 ILE 31 5.903 1.839 -5.839 283 HD13 ILE 31 2HD1 ILE 31 5.116 2.895 -4.668 284 H MET 32 HN MET 32 4.727 7.415 -7.623 285 HA MET 32 HA MET 32 2.662 9.016 -6.502 286 HB2 MET 32 2HB MET 32 5.371 9.272 -6.731 287 HB3 MET 32 1HB MET 32 4.808 10.446 -7.914 288 HG2 MET 32 2HG MET 32 3.471 11.548 -6.221 289 HG3 MET 32 1HG MET 32 3.952 10.344 -5.029 290 HE1 MET 32 3HE MET 32 4.205 13.501 -4.586 291 HE2 MET 32 1HE MET 32 5.788 13.580 -3.813 292 HE3 MET 32 2HE MET 32 4.661 12.292 -3.385 293 H ASP 33 HN ASP 33 3.791 8.423 -9.754 294 HA ASP 33 HA ASP 33 2.301 10.453 -11.056 295 HB2 ASP 33 2HB ASP 33 4.191 9.329 -12.129 296 HB3 ASP 33 1HB ASP 33 3.328 7.797 -12.086 297 H MET 34 HN MET 34 1.486 7.363 -9.762 298 HA MET 34 HA MET 34 -0.942 6.986 -11.235 299 HB2 MET 34 2HB MET 34 0.582 5.306 -9.833 300 HB3 MET 34 1HB MET 34 -0.552 5.734 -8.558 301 HG2 MET 34 2HG MET 34 -2.406 5.004 -9.959 302 HG3 MET 34 1HG MET 34 -1.278 4.591 -11.249 303 HE1 MET 34 3HE MET 34 1.159 3.349 -9.549 304 HE2 MET 34 1HE MET 34 0.541 2.660 -11.050 305 HE3 MET 34 2HE MET 34 0.738 1.640 -9.626 306 H GLY 35 HN GLY 35 -0.008 8.852 -8.515 307 HA2 GLY 35 2HA GLY 35 -1.611 10.667 -8.011 308 HA3 GLY 35 1HA GLY 35 -2.857 9.429 -7.980 309 H ILE 36 HN ILE 36 -0.341 7.941 -6.612 310 HA ILE 36 HA ILE 36 -1.380 8.398 -3.948 311 HB ILE 36 HB ILE 36 0.894 6.597 -4.759 312 HG12 ILE 36 2HG1 ILE 36 -2.022 5.878 -4.419 313 HG13 ILE 36 1HG1 ILE 36 -1.234 6.102 -5.974 314 HG21 ILE 36 1HG2 ILE 36 0.359 5.411 -2.682 315 HG22 ILE 36 2HG2 ILE 36 -0.889 6.606 -2.328 316 HG23 ILE 36 3HG2 ILE 36 0.807 7.090 -2.382 317 HD11 ILE 36 3HD1 ILE 36 0.240 4.225 -5.512 318 HD12 ILE 36 1HD1 ILE 36 -1.451 3.744 -5.387 319 HD13 ILE 36 2HD1 ILE 36 -0.503 4.021 -3.924 320 H VAL 37 HN VAL 37 -0.523 9.700 -2.519 321 HA VAL 37 HA VAL 37 2.260 10.577 -2.847 322 HB VAL 37 HB VAL 37 1.629 12.877 -2.179 323 HG11 VAL 37 1HG1 VAL 37 1.982 12.390 -4.518 324 HG12 VAL 37 2HG1 VAL 37 0.658 13.543 -4.349 325 HG13 VAL 37 3HG1 VAL 37 0.312 11.848 -4.691 326 HG21 VAL 37 3HG2 VAL 37 -1.204 11.916 -2.584 327 HG22 VAL 37 1HG2 VAL 37 -0.710 13.589 -2.327 328 HG23 VAL 37 2HG2 VAL 37 -0.474 12.396 -1.050 329 H ARG 38 HN ARG 38 2.690 12.098 -0.758 330 HA ARG 38 HA ARG 38 2.765 10.269 1.404 331 HB2 ARG 38 2HB ARG 38 4.555 11.872 1.051 332 HB3 ARG 38 1HB ARG 38 3.436 13.211 1.258 333 HG2 ARG 38 2HG ARG 38 3.084 12.551 3.587 334 HG3 ARG 38 1HG ARG 38 4.228 11.224 3.377 335 HD2 ARG 38 2HD ARG 38 6.003 12.803 2.882 336 HD3 ARG 38 1HD ARG 38 4.868 14.146 3.006 337 HE ARG 38 HE ARG 38 4.997 12.530 5.386 338 HH11 ARG 38 1HH1 ARG 38 6.454 15.209 3.655 339 HH12 ARG 38 2HH1 ARG 38 7.123 15.945 5.079 340 HH21 ARG 38 1HH2 ARG 38 5.879 13.487 7.264 341 HH22 ARG 38 2HH2 ARG 38 6.787 14.963 7.138 342 H GLY 39 HN GLY 39 1.144 9.807 2.706 343 HA2 GLY 39 2HA GLY 39 -0.253 10.488 4.521 344 HA3 GLY 39 1HA GLY 39 -0.543 12.004 3.693 345 H THR 40 HN THR 40 -0.768 9.808 1.302 346 HA THR 40 HA THR 40 -3.633 9.764 1.323 347 HB THR 40 HB THR 40 -1.818 8.133 -0.450 348 HG1 THR 40 1HG THR 40 -2.870 10.662 -1.173 349 HG21 THR 40 3HG2 THR 40 -4.614 9.187 -0.850 350 HG22 THR 40 1HG2 THR 40 -4.162 7.505 -0.570 351 HG23 THR 40 2HG2 THR 40 -3.670 8.316 -2.057 352 H GLU 41 HN GLU 41 -4.969 7.958 1.543 353 HA GLU 41 HA GLU 41 -3.884 5.835 3.211 354 HB2 GLU 41 2HB GLU 41 -6.740 6.569 2.553 355 HB3 GLU 41 1HB GLU 41 -6.242 5.319 3.668 356 HG2 GLU 41 2HG GLU 41 -5.148 7.045 5.058 357 HG3 GLU 41 1HG GLU 41 -5.793 8.271 3.965 358 H ILE 42 HN ILE 42 -3.482 3.933 2.418 359 HA ILE 42 HA ILE 42 -4.583 3.186 -0.190 360 HB ILE 42 HB ILE 42 -2.249 2.131 1.403 361 HG12 ILE 42 2HG1 ILE 42 -2.437 3.483 -1.299 362 HG13 ILE 42 1HG1 ILE 42 -1.832 4.209 0.185 363 HG21 ILE 42 1HG2 ILE 42 -1.847 0.581 -0.481 364 HG22 ILE 42 2HG2 ILE 42 -3.391 1.067 -1.182 365 HG23 ILE 42 3HG2 ILE 42 -3.351 0.236 0.374 366 HD11 ILE 42 3HD1 ILE 42 -0.592 1.893 -1.278 367 HD12 ILE 42 1HD1 ILE 42 0.014 2.619 0.210 368 HD13 ILE 42 2HD1 ILE 42 -0.015 3.561 -1.282 369 H TYR 43 HN TYR 43 -6.376 2.016 -0.115 370 HA TYR 43 HA TYR 43 -6.953 0.403 2.234 371 HB2 TYR 43 2HB TYR 43 -8.708 1.870 1.214 372 HB3 TYR 43 1HB TYR 43 -8.660 0.856 -0.224 373 HD1 TYR 43 1HD TYR 43 -8.882 0.294 3.463 374 HD2 TYR 43 2HD TYR 43 -10.429 -0.613 -0.390 375 HE1 TYR 43 1HE TYR 43 -10.544 -1.190 4.492 376 HE2 TYR 43 2HE TYR 43 -12.095 -2.108 0.629 377 HH TYR 43 HH TYR 43 -12.738 -2.110 3.969 378 H ILE 44 HN ILE 44 -5.870 -1.482 2.208 379 HA ILE 44 HA ILE 44 -5.573 -3.011 -0.224 380 HB ILE 44 HB ILE 44 -5.025 -3.835 2.637 381 HG12 ILE 44 2HG1 ILE 44 -3.649 -1.913 1.929 382 HG13 ILE 44 1HG1 ILE 44 -2.674 -3.362 2.152 383 HG21 ILE 44 1HG2 ILE 44 -4.189 -5.096 0.027 384 HG22 ILE 44 2HG2 ILE 44 -5.334 -5.756 1.196 385 HG23 ILE 44 3HG2 ILE 44 -3.630 -5.596 1.625 386 HD11 ILE 44 3HD1 ILE 44 -2.675 -3.710 -0.274 387 HD12 ILE 44 1HD1 ILE 44 -1.974 -2.157 0.182 388 HD13 ILE 44 2HD1 ILE 44 -3.611 -2.228 -0.472 389 H GLU 45 HN GLU 45 -7.560 -3.592 -0.984 390 HA GLU 45 HA GLU 45 -9.564 -4.574 0.833 391 HB2 GLU 45 2HB GLU 45 -10.925 -4.862 -1.247 392 HB3 GLU 45 1HB GLU 45 -10.365 -3.228 -0.944 393 HG2 GLU 45 2HG GLU 45 -8.616 -3.499 -2.602 394 HG3 GLU 45 1HG GLU 45 -9.131 -5.161 -2.888 395 H GLY 46 HN GLY 46 -7.195 -5.886 -1.320 396 HA2 GLY 46 2HA GLY 46 -7.375 -8.429 -0.098 397 HA3 GLY 46 1HA GLY 46 -8.182 -8.469 -1.657 398 H LYS 47 HN LYS 47 -6.202 -10.132 -1.477 399 HA LYS 47 HA LYS 47 -4.131 -8.924 -3.166 400 HB2 LYS 47 2HB LYS 47 -3.645 -11.011 -1.019 401 HB3 LYS 47 1HB LYS 47 -2.437 -10.375 -2.128 402 HG2 LYS 47 2HG LYS 47 -2.608 -8.184 -1.128 403 HG3 LYS 47 1HG LYS 47 -3.917 -8.734 -0.081 404 HD2 LYS 47 2HD LYS 47 -1.806 -8.664 1.136 405 HD3 LYS 47 1HD LYS 47 -2.389 -10.322 0.990 406 HE2 LYS 47 2HE LYS 47 -0.852 -10.718 -0.855 407 HE3 LYS 47 1HE LYS 47 -0.295 -9.047 -0.766 408 HZ1 LYS 47 3HZ LYS 47 0.579 -9.464 1.426 409 HZ2 LYS 47 1HZ LYS 47 1.205 -10.620 0.357 410 HZ3 LYS 47 2HZ LYS 47 -0.039 -11.044 1.424 411 H ALA 48 HN ALA 48 -3.156 -10.504 -4.643 412 HA ALA 48 HA ALA 48 -5.066 -12.185 -5.847 413 HB1 ALA 48 1HB ALA 48 -3.173 -11.168 -7.044 414 HB2 ALA 48 2HB ALA 48 -3.254 -12.914 -7.286 415 HB3 ALA 48 3HB ALA 48 -2.069 -12.231 -6.172 416 HA PRO 49 HA PRO 49 -4.932 -16.047 -3.719 417 HB2 PRO 49 2HB PRO 49 -4.396 -17.773 -5.850 418 HB3 PRO 49 1HB PRO 49 -5.992 -17.240 -5.318 419 HG2 PRO 49 2HG PRO 49 -4.301 -16.221 -7.552 420 HG3 PRO 49 1HG PRO 49 -6.063 -16.390 -7.458 421 HD2 PRO 49 2HD PRO 49 -4.874 -14.001 -7.213 422 HD3 PRO 49 1HD PRO 49 -6.314 -14.422 -6.260 423 H MET 50 HN MET 50 -2.310 -15.443 -6.018 424 HA MET 50 HA MET 50 -0.555 -17.292 -4.631 425 HB2 MET 50 2HB MET 50 -0.553 -17.011 -7.125 426 HB3 MET 50 1HB MET 50 0.105 -15.399 -6.892 427 HG2 MET 50 2HG MET 50 2.074 -16.360 -5.811 428 HG3 MET 50 1HG MET 50 1.415 -17.974 -6.053 429 HE1 MET 50 3HE MET 50 1.069 -19.096 -8.440 430 HE2 MET 50 1HE MET 50 1.428 -18.280 -9.962 431 HE3 MET 50 2HE MET 50 0.103 -17.710 -8.947 432 H GLY 51 HN GLY 51 -1.538 -14.152 -4.166 433 HA2 GLY 51 2HA GLY 51 -0.780 -12.837 -2.338 434 HA3 GLY 51 1HA GLY 51 0.804 -13.586 -2.487 435 H ASP 52 HN ASP 52 0.337 -13.110 -5.514 436 HA ASP 52 HA ASP 52 0.859 -10.236 -5.644 437 HB2 ASP 52 2HB ASP 52 3.080 -11.152 -5.505 438 HB3 ASP 52 1HB ASP 52 2.691 -12.420 -6.661 439 HA PRO 53 HA PRO 53 0.882 -8.698 -6.950 440 HB2 PRO 53 2HB PRO 53 -1.246 -7.232 -8.192 441 HB3 PRO 53 1HB PRO 53 0.454 -7.282 -8.653 442 HG2 PRO 53 2HG PRO 53 -1.607 -8.309 -10.167 443 HG3 PRO 53 1HG PRO 53 0.085 -8.821 -10.291 444 HD2 PRO 53 2HD PRO 53 -2.189 -10.124 -8.850 445 HD3 PRO 53 1HD PRO 53 -0.876 -10.865 -9.791 446 H ILE 54 HN ILE 54 -0.540 -6.642 -6.121 447 HA ILE 54 HA ILE 54 -2.405 -7.790 -4.146 448 HB ILE 54 HB ILE 54 -0.844 -5.209 -3.902 449 HG12 ILE 54 2HG1 ILE 54 -0.242 -7.901 -2.653 450 HG13 ILE 54 1HG1 ILE 54 0.651 -7.189 -3.993 451 HG21 ILE 54 1HG2 ILE 54 -1.442 -5.381 -1.519 452 HG22 ILE 54 2HG2 ILE 54 -2.396 -6.819 -1.878 453 HG23 ILE 54 3HG2 ILE 54 -2.866 -5.260 -2.555 454 HD11 ILE 54 3HD1 ILE 54 0.438 -6.060 -1.214 455 HD12 ILE 54 1HD1 ILE 54 1.329 -5.339 -2.553 456 HD13 ILE 54 2HD1 ILE 54 1.831 -6.896 -1.896 457 H ALA 55 HN ALA 55 -4.383 -6.740 -3.759 458 HA ALA 55 HA ALA 55 -5.224 -4.922 -5.901 459 HB1 ALA 55 1HB ALA 55 -7.515 -5.520 -5.252 460 HB2 ALA 55 2HB ALA 55 -6.875 -6.553 -3.973 461 HB3 ALA 55 3HB ALA 55 -6.555 -6.940 -5.663 462 H LEU 56 HN LEU 56 -4.847 -2.897 -5.347 463 HA LEU 56 HA LEU 56 -5.363 -1.987 -2.605 464 HB2 LEU 56 2HB LEU 56 -3.893 -0.762 -4.933 465 HB3 LEU 56 1HB LEU 56 -4.285 0.144 -3.490 466 HG LEU 56 HG LEU 56 -2.915 -1.486 -2.173 467 HD11 LEU 56 1HD1 LEU 56 -1.313 -2.880 -3.387 468 HD12 LEU 56 2HD1 LEU 56 -2.091 -2.446 -4.909 469 HD13 LEU 56 3HD1 LEU 56 -2.975 -3.376 -3.700 470 HD21 LEU 56 3HD2 LEU 56 -1.522 -0.008 -4.400 471 HD22 LEU 56 1HD2 LEU 56 -0.787 -0.531 -2.884 472 HD23 LEU 56 2HD2 LEU 56 -2.062 0.687 -2.871 473 H ARG 57 HN ARG 57 -6.484 0.070 -2.336 474 HA ARG 57 HA ARG 57 -7.972 1.056 -4.652 475 HB2 ARG 57 2HB ARG 57 -9.427 -0.496 -3.243 476 HB3 ARG 57 1HB ARG 57 -9.290 0.698 -1.968 477 HG2 ARG 57 2HG ARG 57 -10.253 2.379 -3.548 478 HG3 ARG 57 1HG ARG 57 -10.579 1.042 -4.653 479 HD2 ARG 57 2HD ARG 57 -11.679 1.434 -1.875 480 HD3 ARG 57 1HD ARG 57 -12.570 1.491 -3.395 481 HE ARG 57 HE ARG 57 -11.442 -1.021 -3.315 482 HH11 ARG 57 1HH1 ARG 57 -13.622 0.813 -1.264 483 HH12 ARG 57 2HH1 ARG 57 -14.436 -0.596 -0.651 484 HH21 ARG 57 1HH2 ARG 57 -12.513 -2.859 -2.517 485 HH22 ARG 57 2HH2 ARG 57 -13.800 -2.686 -1.365 486 H LEU 58 HN LEU 58 -7.292 3.094 -4.837 487 HA LEU 58 HA LEU 58 -7.123 4.715 -2.421 488 HB2 LEU 58 2HB LEU 58 -4.995 5.765 -3.240 489 HB3 LEU 58 1HB LEU 58 -4.855 4.146 -2.610 490 HG LEU 58 HG LEU 58 -3.382 4.509 -4.510 491 HD11 LEU 58 1HD1 LEU 58 -3.996 2.594 -5.893 492 HD12 LEU 58 2HD1 LEU 58 -5.595 2.577 -5.145 493 HD13 LEU 58 3HD1 LEU 58 -4.159 2.263 -4.169 494 HD21 LEU 58 3HD2 LEU 58 -4.237 4.820 -6.772 495 HD22 LEU 58 1HD2 LEU 58 -4.633 6.183 -5.725 496 HD23 LEU 58 2HD2 LEU 58 -5.871 4.994 -6.131 497 H ARG 59 HN ARG 59 -7.364 6.923 -2.704 498 HA ARG 59 HA ARG 59 -8.290 8.796 -3.543 499 HB2 ARG 59 2HB ARG 59 -7.505 7.740 -6.262 500 HB3 ARG 59 1HB ARG 59 -7.880 9.407 -5.849 501 HG2 ARG 59 2HG ARG 59 -5.918 9.367 -4.293 502 HG3 ARG 59 1HG ARG 59 -5.502 7.792 -4.971 503 HD2 ARG 59 2HD ARG 59 -4.212 9.268 -6.219 504 HD3 ARG 59 1HD ARG 59 -5.613 8.983 -7.248 505 HE ARG 59 HE ARG 59 -5.475 11.354 -5.503 506 HH11 ARG 59 1HH1 ARG 59 -5.857 9.920 -8.680 507 HH12 ARG 59 2HH1 ARG 59 -6.148 11.444 -9.464 508 HH21 ARG 59 1HH2 ARG 59 -5.898 13.335 -6.522 509 HH22 ARG 59 2HH2 ARG 59 -6.212 13.386 -8.230 510 H GLY 60 HN GLY 60 -9.617 5.874 -3.922 511 HA2 GLY 60 2HA GLY 60 -12.085 5.901 -3.837 512 HA3 GLY 60 1HA GLY 60 -12.021 6.984 -5.219 513 H TYR 61 HN TYR 61 -9.641 5.063 -6.068 514 HA TYR 61 HA TYR 61 -11.417 3.015 -7.199 515 HB2 TYR 61 2HB TYR 61 -9.925 3.230 -9.305 516 HB3 TYR 61 1HB TYR 61 -11.216 4.388 -9.041 517 HD1 TYR 61 2HD TYR 61 -7.587 3.890 -9.103 518 HD2 TYR 61 1HD TYR 61 -10.705 6.721 -8.529 519 HE1 TYR 61 2HE TYR 61 -5.956 5.718 -9.311 520 HE2 TYR 61 1HE TYR 61 -9.083 8.555 -8.743 521 HH TYR 61 HH TYR 61 -5.938 8.117 -9.924 522 H SER 62 HN SER 62 -10.512 1.072 -7.806 523 HA SER 62 HA SER 62 -8.307 0.261 -6.131 524 HB2 SER 62 2HB SER 62 -10.298 -1.140 -6.239 525 HB3 SER 62 1HB SER 62 -10.092 -1.336 -7.976 526 HG SER 62 HG SER 62 -8.191 -2.150 -6.032 527 H LEU 63 HN LEU 63 -6.425 -0.617 -6.753 528 HA LEU 63 HA LEU 63 -5.713 -0.700 -9.602 529 HB2 LEU 63 2HB LEU 63 -4.199 0.702 -7.418 530 HB3 LEU 63 1HB LEU 63 -3.369 0.071 -8.818 531 HG LEU 63 HG LEU 63 -3.694 2.362 -9.216 532 HD11 LEU 63 1HD1 LEU 63 -5.839 0.869 -10.703 533 HD12 LEU 63 2HD1 LEU 63 -4.133 0.960 -11.145 534 HD13 LEU 63 3HD1 LEU 63 -5.135 2.415 -11.181 535 HD21 LEU 63 3HD2 LEU 63 -6.580 1.974 -8.465 536 HD22 LEU 63 1HD2 LEU 63 -5.886 3.460 -9.113 537 HD23 LEU 63 2HD2 LEU 63 -5.358 2.852 -7.543 538 H SER 64 HN SER 64 -4.339 -2.362 -10.133 539 HA SER 64 HA SER 64 -3.578 -4.180 -7.981 540 HB2 SER 64 2HB SER 64 -3.423 -4.988 -10.838 541 HB3 SER 64 1HB SER 64 -3.942 -5.901 -9.431 542 HG SER 64 HG SER 64 -5.933 -5.286 -9.734 543 H LEU 65 HN LEU 65 -1.524 -3.804 -7.351 544 HA LEU 65 HA LEU 65 0.485 -3.493 -9.471 545 HB2 LEU 65 2HB LEU 65 1.820 -2.134 -7.813 546 HB3 LEU 65 1HB LEU 65 0.420 -1.356 -8.514 547 HG LEU 65 HG LEU 65 -0.808 -2.014 -6.359 548 HD11 LEU 65 1HD1 LEU 65 0.837 -3.619 -5.533 549 HD12 LEU 65 2HD1 LEU 65 0.591 -2.299 -4.391 550 HD13 LEU 65 3HD1 LEU 65 2.032 -2.329 -5.406 551 HD21 LEU 65 3HD2 LEU 65 1.438 -0.010 -6.265 552 HD22 LEU 65 1HD2 LEU 65 0.029 -0.034 -5.206 553 HD23 LEU 65 2HD2 LEU 65 -0.170 0.264 -6.933 554 H ARG 66 HN ARG 66 2.720 -4.118 -8.717 555 HA ARG 66 HA ARG 66 2.345 -6.862 -7.896 556 HB2 ARG 66 2HB ARG 66 4.763 -5.382 -8.923 557 HB3 ARG 66 1HB ARG 66 4.790 -7.080 -8.476 558 HG2 ARG 66 2HG ARG 66 4.541 -7.004 -10.820 559 HG3 ARG 66 1HG ARG 66 2.958 -7.437 -10.173 560 HD2 ARG 66 2HD ARG 66 2.245 -5.107 -10.382 561 HD3 ARG 66 1HD ARG 66 3.825 -4.683 -11.035 562 HE ARG 66 HE ARG 66 2.437 -6.749 -12.504 563 HH11 ARG 66 1HH1 ARG 66 2.950 -3.307 -12.083 564 HH12 ARG 66 2HH1 ARG 66 2.470 -2.908 -13.708 565 HH21 ARG 66 1HH2 ARG 66 1.804 -6.242 -14.632 566 HH22 ARG 66 2HH2 ARG 66 1.797 -4.581 -15.159 567 H LYS 67 HN LYS 67 3.816 -7.954 -6.487 568 HA LYS 67 HA LYS 67 3.765 -6.994 -3.881 569 HB2 LYS 67 2HB LYS 67 4.001 -9.378 -4.802 570 HB3 LYS 67 1HB LYS 67 5.722 -9.045 -4.890 571 HG2 LYS 67 2HG LYS 67 5.835 -8.741 -2.508 572 HG3 LYS 67 1HG LYS 67 4.079 -8.900 -2.373 573 HD2 LYS 67 2HD LYS 67 4.322 -11.183 -3.413 574 HD3 LYS 67 1HD LYS 67 6.065 -11.005 -3.209 575 HE2 LYS 67 2HE LYS 67 5.797 -10.818 -0.813 576 HE3 LYS 67 1HE LYS 67 4.042 -10.862 -0.977 577 HZ1 LYS 67 3HZ LYS 67 5.952 -13.055 -1.587 578 HZ2 LYS 67 1HZ LYS 67 4.300 -13.112 -1.964 579 HZ3 LYS 67 2HZ LYS 67 4.794 -13.022 -0.349 580 H SER 68 HN SER 68 6.627 -7.323 -6.014 581 HA SER 68 HA SER 68 8.322 -5.950 -4.160 582 HB2 SER 68 2HB SER 68 8.786 -6.686 -7.058 583 HB3 SER 68 1HB SER 68 10.027 -6.139 -5.929 584 HG SER 68 HG SER 68 10.014 -8.035 -4.967 585 H GLU 69 HN GLU 69 6.087 -4.925 -6.445 586 HA GLU 69 HA GLU 69 7.277 -2.381 -7.089 587 HB2 GLU 69 2HB GLU 69 5.572 -3.799 -8.424 588 HB3 GLU 69 1HB GLU 69 4.373 -3.166 -7.318 589 HG2 GLU 69 2HG GLU 69 4.691 -0.964 -8.085 590 HG3 GLU 69 1HG GLU 69 6.144 -1.405 -8.984 591 H ALA 70 HN ALA 70 4.747 -3.639 -4.991 592 HA ALA 70 HA ALA 70 4.162 -1.219 -3.624 593 HB1 ALA 70 1HB ALA 70 2.633 -3.133 -3.656 594 HB2 ALA 70 2HB ALA 70 3.023 -2.644 -2.006 595 HB3 ALA 70 3HB ALA 70 3.789 -4.071 -2.707 596 H LYS 71 HN LYS 71 6.724 -3.476 -3.406 597 HA LYS 71 HA LYS 71 7.491 -3.283 -0.731 598 HB2 LYS 71 2HB LYS 71 8.404 -4.967 -2.192 599 HB3 LYS 71 1HB LYS 71 9.117 -3.747 -3.233 600 HG2 LYS 71 2HG LYS 71 10.820 -4.778 -1.894 601 HG3 LYS 71 1HG LYS 71 10.620 -3.095 -1.406 602 HD2 LYS 71 2HD LYS 71 9.218 -3.851 0.483 603 HD3 LYS 71 1HD LYS 71 9.524 -5.524 0.008 604 HE2 LYS 71 2HE LYS 71 11.017 -4.863 1.810 605 HE3 LYS 71 1HE LYS 71 11.928 -5.167 0.330 606 HZ1 LYS 71 3HZ LYS 71 11.869 -2.720 -0.062 607 HZ2 LYS 71 1HZ LYS 71 12.753 -3.182 1.307 608 HZ3 LYS 71 2HZ LYS 71 11.199 -2.531 1.485 609 H ASP 72 HN ASP 72 7.864 -0.995 -3.322 610 HA ASP 72 HA ASP 72 9.984 0.472 -2.005 611 HB2 ASP 72 2HB ASP 72 9.777 0.246 -4.507 612 HB3 ASP 72 1HB ASP 72 8.380 1.304 -4.438 613 H ILE 73 HN ILE 73 6.754 0.207 -1.485 614 HA ILE 73 HA ILE 73 6.372 3.023 -0.724 615 HB ILE 73 HB ILE 73 4.311 0.806 -0.763 616 HG12 ILE 73 2HG1 ILE 73 4.804 2.987 -2.800 617 HG13 ILE 73 1HG1 ILE 73 5.211 1.290 -3.019 618 HG21 ILE 73 1HG2 ILE 73 3.738 2.614 0.745 619 HG22 ILE 73 2HG2 ILE 73 2.699 2.668 -0.678 620 HG23 ILE 73 3HG2 ILE 73 4.040 3.802 -0.523 621 HD11 ILE 73 3HD1 ILE 73 3.158 1.852 -4.172 622 HD12 ILE 73 1HD1 ILE 73 2.443 2.412 -2.660 623 HD13 ILE 73 2HD1 ILE 73 2.844 0.706 -2.867 624 H LEU 74 HN LEU 74 6.476 3.613 1.360 625 HA LEU 74 HA LEU 74 6.464 1.515 3.420 626 HB2 LEU 74 2HB LEU 74 7.445 4.366 3.606 627 HB3 LEU 74 1HB LEU 74 7.619 3.127 4.824 628 HG LEU 74 HG LEU 74 8.921 3.057 2.104 629 HD11 LEU 74 1HD1 LEU 74 9.831 4.831 3.509 630 HD12 LEU 74 2HD1 LEU 74 10.992 3.519 3.308 631 HD13 LEU 74 3HD1 LEU 74 10.088 3.674 4.814 632 HD21 LEU 74 3HD2 LEU 74 9.277 1.286 4.521 633 HD22 LEU 74 1HD2 LEU 74 10.197 1.185 3.019 634 HD23 LEU 74 2HD2 LEU 74 8.467 0.836 3.020 635 H VAL 75 HN VAL 75 4.656 1.351 4.596 636 HA VAL 75 HA VAL 75 2.942 3.735 4.878 637 HB VAL 75 HB VAL 75 0.958 2.190 4.691 638 HG11 VAL 75 1HG1 VAL 75 0.997 2.116 2.231 639 HG12 VAL 75 2HG1 VAL 75 2.722 2.476 2.261 640 HG13 VAL 75 3HG1 VAL 75 1.565 3.664 2.858 641 HG21 VAL 75 3HG2 VAL 75 3.031 0.294 3.590 642 HG22 VAL 75 1HG2 VAL 75 1.285 0.061 3.514 643 HG23 VAL 75 2HG2 VAL 75 2.106 0.077 5.075 644 H GLU 76 HN GLU 76 1.792 3.942 6.761 645 HA GLU 76 HA GLU 76 2.548 2.119 8.931 646 HB2 GLU 76 2HB GLU 76 1.675 3.934 10.433 647 HB3 GLU 76 1HB GLU 76 3.073 4.387 9.470 648 HG2 GLU 76 2HG GLU 76 1.588 5.546 7.894 649 HG3 GLU 76 1HG GLU 76 0.208 5.121 8.906 650 H VAL 77 HN VAL 77 1.059 1.019 10.114 651 HA VAL 77 HA VAL 77 -1.447 0.506 8.834 652 HB VAL 77 HB VAL 77 -0.488 -0.495 11.519 653 HG11 VAL 77 1HG1 VAL 77 -2.551 -1.614 9.624 654 HG12 VAL 77 2HG1 VAL 77 -2.890 -0.766 11.133 655 HG13 VAL 77 3HG1 VAL 77 -2.056 -2.321 11.162 656 HG21 VAL 77 3HG2 VAL 77 1.130 -1.042 9.779 657 HG22 VAL 77 1HG2 VAL 77 -0.152 -1.737 8.789 658 HG23 VAL 77 2HG2 VAL 77 0.282 -2.488 10.325 659 H LEU 78 HN LEU 78 -3.128 1.816 9.040 660 HA LEU 78 HA LEU 78 -3.343 3.675 11.212 661 HB2 LEU 78 2HB LEU 78 -5.287 3.030 8.998 662 HB3 LEU 78 1HB LEU 78 -5.409 4.396 10.087 663 HG LEU 78 HG LEU 78 -3.195 3.958 8.078 664 HD11 LEU 78 1HD1 LEU 78 -4.203 5.817 6.873 665 HD12 LEU 78 2HD1 LEU 78 -5.502 5.902 8.063 666 HD13 LEU 78 3HD1 LEU 78 -5.344 4.481 7.029 667 HD21 LEU 78 3HD2 LEU 78 -3.785 6.303 9.883 668 HD22 LEU 78 1HD2 LEU 78 -2.514 6.227 8.661 669 HD23 LEU 78 2HD2 LEU 78 -2.449 5.167 10.069 670 H LEU 79 HN LEU 79 -4.376 0.522 10.664 671 HA LEU 79 HA LEU 79 -6.668 0.703 12.383 672 HB2 LEU 79 2HB LEU 79 -5.544 -1.614 10.832 673 HB3 LEU 79 1HB LEU 79 -7.009 -1.674 11.786 674 HG LEU 79 HG LEU 79 -6.541 -0.062 9.281 675 HD11 LEU 79 1HD1 LEU 79 -8.453 -2.305 9.920 676 HD12 LEU 79 2HD1 LEU 79 -7.005 -2.425 8.918 677 HD13 LEU 79 3HD1 LEU 79 -8.361 -1.427 8.394 678 HD21 LEU 79 3HD2 LEU 79 -8.944 -0.080 11.104 679 HD22 LEU 79 1HD2 LEU 79 -8.860 0.698 9.523 680 HD23 LEU 79 2HD2 LEU 79 -7.842 1.271 10.845 681 H GLU 80 HN GLU 80 -3.757 0.868 13.256 682 HA GLU 80 HA GLU 80 -2.586 0.396 15.141 683 HB2 GLU 80 2HB GLU 80 -5.192 -0.809 16.087 684 HB3 GLU 80 1HB GLU 80 -3.845 -0.308 17.091 685 HG2 GLU 80 2HG GLU 80 -4.234 1.960 16.701 686 HG3 GLU 80 1HG GLU 80 -5.285 1.625 15.323 687 H HIS 81 HN HIS 81 -2.887 -1.767 16.949 688 HA HIS 81 HA HIS 81 -2.693 -3.999 17.311 689 HB2 HIS 81 2HB HIS 81 -4.300 -4.324 15.401 690 HB3 HIS 81 1HB HIS 81 -2.905 -4.494 14.341 691 HD1 HIS 81 1HD HIS 81 -4.377 -6.141 17.437 692 HD2 HIS 81 2HD HIS 81 -1.952 -7.044 14.174 693 HE1 HIS 81 1HE HIS 81 -3.953 -8.619 17.563 694 HE2 HIS 81 2HE HIS 81 -2.424 -9.135 15.632 695 H HIS 82 HN HIS 82 -0.758 -2.302 15.063 696 HA HIS 82 HA HIS 82 1.364 -2.583 14.266 697 HB2 HIS 82 2HB HIS 82 3.048 -2.540 16.139 698 HB3 HIS 82 1HB HIS 82 1.802 -1.305 16.201 699 HD1 HIS 82 1HD HIS 82 3.535 -3.588 18.324 700 HD2 HIS 82 2HD HIS 82 -0.357 -2.135 18.144 701 HE1 HIS 82 1HE HIS 82 2.539 -4.032 20.588 702 HE2 HIS 82 2HE HIS 82 0.134 -3.307 20.399 703 H HIS 83 HN HIS 83 1.246 -4.425 13.059 704 HA HIS 83 HA HIS 83 1.534 -7.040 14.178 705 HB2 HIS 83 2HB HIS 83 0.219 -6.692 12.155 706 HB3 HIS 83 1HB HIS 83 1.630 -6.068 11.311 707 HD1 HIS 83 1HD HIS 83 0.043 -9.262 12.462 708 HD2 HIS 83 2HD HIS 83 3.403 -8.007 10.353 709 HE1 HIS 83 1HE HIS 83 1.024 -11.338 11.443 710 HE2 HIS 83 2HE HIS 83 3.172 -10.584 10.364 711 H HIS 84 HN HIS 84 3.271 -8.384 14.204 712 HA HIS 84 HA HIS 84 5.865 -7.250 13.347 713 HB2 HIS 84 2HB HIS 84 5.271 -9.162 15.620 714 HB3 HIS 84 1HB HIS 84 6.886 -8.717 15.091 715 HD1 HIS 84 1HD HIS 84 5.098 -8.103 17.862 716 HD2 HIS 84 2HD HIS 84 6.572 -5.491 14.981 717 HE1 HIS 84 1HE HIS 84 5.282 -5.874 18.999 718 HE2 HIS 84 2HE HIS 84 6.374 -4.368 17.299 719 H HIS 85 HN HIS 85 7.371 -8.688 12.392 720 HA HIS 85 HA HIS 85 6.238 -10.998 11.066 721 HB2 HIS 85 2HB HIS 85 9.035 -9.846 11.127 722 HB3 HIS 85 1HB HIS 85 8.633 -11.324 10.266 723 HD1 HIS 85 1HD HIS 85 7.029 -11.071 8.187 724 HD2 HIS 85 2HD HIS 85 8.435 -7.505 9.798 725 HE1 HIS 85 1HE HIS 85 6.624 -9.327 6.429 726 HE2 HIS 85 2HE HIS 85 7.722 -7.248 7.319 727 H HIS 86 HN HIS 86 9.082 -10.560 13.141 728 HA HIS 86 HA HIS 86 8.223 -12.781 14.820 729 HB2 HIS 86 2HB HIS 86 10.866 -12.659 13.366 730 HB3 HIS 86 1HB HIS 86 10.631 -13.636 14.811 731 HD1 HIS 86 1HD HIS 86 10.149 -13.641 11.177 732 HD2 HIS 86 2HD HIS 86 8.697 -15.772 14.446 733 HE1 HIS 86 1HE HIS 86 9.104 -15.719 10.225 734 HE2 HIS 86 2HE HIS 86 8.176 -16.967 12.205
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