NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25912 | 2kd0 | 16101 | 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 1H MET 1 6.330 -27.917 -13.812 2 H2 MET 1 2H MET 1 6.271 -29.276 -12.805 3 H3 MET 1 3H MET 1 7.507 -29.126 -13.941 4 HA MET 1 HA MET 1 8.329 -28.639 -11.742 5 HB2 MET 1 2HB MET 1 8.116 -26.172 -13.485 6 HB3 MET 1 1HB MET 1 9.291 -26.410 -12.201 7 HG2 MET 1 2HG MET 1 10.246 -28.299 -13.442 8 HG3 MET 1 1HG MET 1 9.077 -28.023 -14.735 9 HE1 MET 1 3HE MET 1 12.239 -28.137 -15.232 10 HE2 MET 1 1HE MET 1 12.435 -26.781 -16.340 11 HE3 MET 1 2HE MET 1 11.054 -27.864 -16.510 12 H GLY 2 H GLY 2 8.013 -27.794 -9.734 13 HA2 GLY 2 2HA GLY 2 5.450 -26.769 -9.024 14 HA3 GLY 2 1HA GLY 2 6.845 -26.902 -7.964 15 H HIS 3 H HIS 3 5.108 -24.831 -10.190 16 HA HIS 3 HA HIS 3 6.872 -22.625 -10.196 17 HB2 HIS 3 2HB HIS 3 3.856 -22.615 -10.501 18 HB3 HIS 3 1HB HIS 3 4.936 -21.297 -10.944 19 HD1 HIS 3 HD1 HIS 3 6.981 -22.406 -12.681 20 HD2 HIS 3 HD2 HIS 3 3.125 -23.939 -12.716 21 HE1 HIS 3 HE1 HIS 3 6.730 -23.530 -14.904 22 HE2 HIS 3 HE2 HIS 3 4.310 -24.202 -14.996 23 H HIS 4 H HIS 4 7.333 -21.136 -8.690 24 HA HIS 4 HA HIS 4 6.191 -21.323 -6.067 25 HB2 HIS 4 2HB HIS 4 8.122 -19.290 -7.223 26 HB3 HIS 4 1HB HIS 4 7.740 -19.473 -5.513 27 HD1 HIS 4 HD1 HIS 4 9.291 -20.938 -4.251 28 HD2 HIS 4 HD2 HIS 4 9.321 -21.797 -8.315 29 HE1 HIS 4 HE1 HIS 4 11.045 -22.706 -4.553 30 HE2 HIS 4 HE2 HIS 4 10.944 -23.305 -6.991 31 H HIS 5 H HIS 5 4.057 -20.715 -5.990 32 HA HIS 5 HA HIS 5 3.115 -18.494 -7.571 33 HB2 HIS 5 2HB HIS 5 0.886 -19.070 -6.760 34 HB3 HIS 5 1HB HIS 5 1.734 -20.492 -7.350 35 HD1 HIS 5 HD1 HIS 5 1.753 -22.456 -5.824 36 HD2 HIS 5 HD2 HIS 5 0.862 -18.935 -3.810 37 HE1 HIS 5 HE1 HIS 5 1.121 -23.155 -3.502 38 HE2 HIS 5 HE2 HIS 5 0.420 -21.028 -2.360 39 H HIS 6 H HIS 6 4.744 -18.371 -4.746 40 HA HIS 6 HA HIS 6 3.245 -16.546 -3.194 41 HB2 HIS 6 2HB HIS 6 6.213 -17.029 -3.443 42 HB3 HIS 6 1HB HIS 6 5.579 -15.760 -2.401 43 HD1 HIS 6 HD1 HIS 6 7.032 -18.665 -1.711 44 HD2 HIS 6 HD2 HIS 6 3.116 -17.459 -1.016 45 HE1 HIS 6 HE1 HIS 6 6.217 -20.089 0.184 46 HE2 HIS 6 HE2 HIS 6 3.806 -19.447 0.487 47 H HIS 7 H HIS 7 5.789 -15.849 -5.622 48 HA HIS 7 HA HIS 7 4.798 -13.090 -5.808 49 HB2 HIS 7 2HB HIS 7 7.338 -14.409 -6.772 50 HB3 HIS 7 1HB HIS 7 6.859 -12.801 -7.310 51 HD1 HIS 7 HD1 HIS 7 7.927 -14.660 -4.203 52 HD2 HIS 7 HD2 HIS 7 7.341 -10.760 -5.503 53 HE1 HIS 7 HE1 HIS 7 8.861 -13.205 -2.391 54 HE2 HIS 7 HE2 HIS 7 8.662 -10.861 -3.280 55 H HIS 8 H HIS 8 2.817 -14.153 -6.811 56 HA HIS 8 HA HIS 8 3.039 -13.839 -9.709 57 HB2 HIS 8 2HB HIS 8 2.085 -16.350 -8.346 58 HB3 HIS 8 1HB HIS 8 1.397 -15.876 -9.896 59 HD1 HIS 8 HD1 HIS 8 4.578 -17.111 -8.340 60 HD2 HIS 8 HD2 HIS 8 3.070 -16.208 -12.100 61 HE1 HIS 8 HE1 HIS 8 6.242 -18.033 -9.967 62 HE2 HIS 8 HE2 HIS 8 5.211 -17.647 -12.224 63 H SER 9 H SER 9 0.795 -13.755 -10.730 64 HA SER 9 HA SER 9 -1.258 -12.773 -10.893 65 HB2 SER 9 2HB SER 9 -1.955 -14.710 -9.564 66 HB3 SER 9 1HB SER 9 -1.571 -13.849 -8.076 67 HG SER 9 HG SER 9 -3.235 -12.428 -8.481 68 H HIS 10 H HIS 10 1.055 -11.280 -9.487 69 HA HIS 10 HA HIS 10 -0.424 -9.309 -7.907 70 HB2 HIS 10 2HB HIS 10 2.535 -9.637 -8.460 71 HB3 HIS 10 1HB HIS 10 1.862 -8.305 -7.529 72 HD1 HIS 10 HD1 HIS 10 3.846 -10.153 -6.171 73 HD2 HIS 10 HD2 HIS 10 -0.262 -10.769 -6.096 74 HE1 HIS 10 HE1 HIS 10 3.415 -11.568 -4.147 75 HE2 HIS 10 HE2 HIS 10 0.913 -11.754 -4.019 76 H SER 11 H SER 11 0.125 -6.954 -8.325 77 HA SER 11 HA SER 11 0.723 -6.233 -11.062 78 HB2 SER 11 2HB SER 11 -1.679 -6.843 -11.195 79 HB3 SER 11 1HB SER 11 -2.037 -5.660 -9.938 80 HG SER 11 HG SER 11 -2.416 -4.795 -12.001 81 H THR 12 H THR 12 0.342 -3.754 -11.327 82 HA THR 12 HA THR 12 1.666 -2.511 -9.035 83 HB THR 12 HB THR 12 2.083 -0.601 -10.546 84 HG1 THR 12 HG1 THR 12 0.209 -0.881 -11.892 85 HG21 THR 12 3HG2 THR 12 2.855 -3.286 -11.706 86 HG22 THR 12 1HG2 THR 12 3.727 -2.395 -10.458 87 HG23 THR 12 2HG2 THR 12 3.621 -1.745 -12.095 88 H ILE 13 H ILE 13 0.426 -1.598 -7.532 89 HA ILE 13 HA ILE 13 -2.222 -0.578 -8.156 90 HB ILE 13 HB ILE 13 -2.376 -0.116 -5.714 91 HG12 ILE 13 2HG1 ILE 13 0.384 -1.377 -5.613 92 HG13 ILE 13 1HG1 ILE 13 0.016 0.310 -5.276 93 HG21 ILE 13 1HG2 ILE 13 -2.460 -2.458 -5.014 94 HG22 ILE 13 2HG2 ILE 13 -1.500 -2.920 -6.419 95 HG23 ILE 13 3HG2 ILE 13 -3.118 -2.254 -6.636 96 HD11 ILE 13 3HD1 ILE 13 -1.325 -0.372 -3.348 97 HD12 ILE 13 1HD1 ILE 13 0.341 -0.938 -3.228 98 HD13 ILE 13 2HD1 ILE 13 -0.940 -2.060 -3.686 99 H LYS 14 H LYS 14 -2.921 1.587 -7.783 100 HA LYS 14 HA LYS 14 -0.933 3.572 -8.473 101 HB2 LYS 14 2HB LYS 14 -3.905 3.847 -7.969 102 HB3 LYS 14 1HB LYS 14 -2.865 5.118 -8.598 103 HG2 LYS 14 2HG LYS 14 -2.396 3.780 -10.581 104 HG3 LYS 14 1HG LYS 14 -3.399 2.471 -9.951 105 HD2 LYS 14 2HD LYS 14 -5.359 3.942 -10.009 106 HD3 LYS 14 1HD LYS 14 -4.357 5.260 -10.619 107 HE2 LYS 14 2HE LYS 14 -5.582 4.213 -12.443 108 HE3 LYS 14 1HE LYS 14 -3.853 3.933 -12.632 109 HZ1 LYS 14 3HZ LYS 14 -5.843 1.993 -11.589 110 HZ2 LYS 14 1HZ LYS 14 -4.179 1.716 -11.668 111 HZ3 LYS 14 2HZ LYS 14 -5.069 1.927 -13.088 112 H LEU 15 H LEU 15 0.256 4.624 -7.010 113 HA LEU 15 HA LEU 15 -0.873 5.183 -4.336 114 HB2 LEU 15 2HB LEU 15 1.985 5.034 -5.302 115 HB3 LEU 15 1HB LEU 15 1.550 5.712 -3.746 116 HG LEU 15 HG LEU 15 0.567 3.493 -3.119 117 HD11 LEU 15 1HD1 LEU 15 1.208 1.530 -4.434 118 HD12 LEU 15 2HD1 LEU 15 1.864 2.588 -5.684 119 HD13 LEU 15 3HD1 LEU 15 0.136 2.605 -5.330 120 HD21 LEU 15 3HD2 LEU 15 3.483 3.451 -3.896 121 HD22 LEU 15 1HD2 LEU 15 2.706 2.426 -2.688 122 HD23 LEU 15 2HD2 LEU 15 2.822 4.166 -2.425 123 H THR 16 H THR 16 -1.658 7.207 -4.099 124 HA THR 16 HA THR 16 -0.515 9.399 -5.682 125 HB THR 16 HB THR 16 -2.925 9.374 -3.837 126 HG1 THR 16 HG1 THR 16 -2.838 9.719 -6.664 127 HG21 THR 16 3HG2 THR 16 -1.876 11.593 -5.612 128 HG22 THR 16 1HG2 THR 16 -1.895 11.597 -3.847 129 HG23 THR 16 2HG2 THR 16 -3.413 11.614 -4.745 130 H VAL 17 H VAL 17 1.453 9.795 -4.757 131 HA VAL 17 HA VAL 17 1.651 10.180 -1.856 132 HB VAL 17 HB VAL 17 3.833 10.142 -3.959 133 HG11 VAL 17 1HG1 VAL 17 5.376 9.896 -2.054 134 HG12 VAL 17 2HG1 VAL 17 4.022 10.107 -0.942 135 HG13 VAL 17 3HG1 VAL 17 4.505 11.428 -2.006 136 HG21 VAL 17 3HG2 VAL 17 2.700 7.979 -3.756 137 HG22 VAL 17 1HG2 VAL 17 2.975 7.990 -2.015 138 HG23 VAL 17 2HG2 VAL 17 4.344 7.895 -3.124 139 H LYS 18 H LYS 18 1.538 12.156 -0.982 140 HA LYS 18 HA LYS 18 1.648 14.493 -2.743 141 HB2 LYS 18 2HB LYS 18 0.748 14.275 0.136 142 HB3 LYS 18 1HB LYS 18 0.611 15.706 -0.877 143 HG2 LYS 18 2HG LYS 18 -0.875 14.430 -2.398 144 HG3 LYS 18 1HG LYS 18 -0.797 13.071 -1.276 145 HD2 LYS 18 2HD LYS 18 -1.861 15.832 -0.664 146 HD3 LYS 18 1HD LYS 18 -2.827 14.379 -0.920 147 HE2 LYS 18 2HE LYS 18 -1.791 13.348 1.057 148 HE3 LYS 18 1HE LYS 18 -0.831 14.806 1.311 149 HZ1 LYS 18 3HZ LYS 18 -2.903 16.046 1.597 150 HZ2 LYS 18 1HZ LYS 18 -2.753 14.809 2.740 151 HZ3 LYS 18 2HZ LYS 18 -3.791 14.619 1.420 152 H PHE 19 H PHE 19 3.730 15.166 -3.013 153 HA PHE 19 HA PHE 19 5.511 15.594 -0.782 154 HB2 PHE 19 2HB PHE 19 5.599 16.224 -3.717 155 HB3 PHE 19 1HB PHE 19 6.717 17.042 -2.637 156 HD1 PHE 19 HD1 PHE 19 8.384 15.750 -1.365 157 HD2 PHE 19 HD2 PHE 19 5.895 13.915 -4.298 158 HE1 PHE 19 HE1 PHE 19 9.918 13.832 -1.462 159 HE2 PHE 19 HE2 PHE 19 7.426 11.993 -4.391 160 HZ PHE 19 HZ PHE 19 9.438 11.950 -2.976 161 H GLY 20 H GLY 20 3.872 16.781 0.492 162 HA2 GLY 20 2HA GLY 20 3.053 18.724 1.404 163 HA3 GLY 20 1HA GLY 20 4.290 19.569 0.488 164 H GLY 21 H GLY 21 3.795 20.209 -1.710 165 HA2 GLY 21 2HA GLY 21 0.885 20.568 -2.176 166 HA3 GLY 21 1HA GLY 21 2.105 21.748 -2.626 167 H LYS 22 H LYS 22 3.158 18.584 -3.223 168 HA LYS 22 HA LYS 22 2.267 18.728 -6.043 169 HB2 LYS 22 2HB LYS 22 4.905 17.711 -4.961 170 HB3 LYS 22 1HB LYS 22 4.395 17.560 -6.634 171 HG2 LYS 22 2HG LYS 22 4.524 20.270 -5.372 172 HG3 LYS 22 1HG LYS 22 6.007 19.480 -5.897 173 HD2 LYS 22 2HD LYS 22 5.347 20.824 -7.717 174 HD3 LYS 22 1HD LYS 22 4.887 19.185 -8.165 175 HE2 LYS 22 2HE LYS 22 3.147 20.789 -8.755 176 HE3 LYS 22 1HE LYS 22 2.568 19.662 -7.532 177 HZ1 LYS 22 3HZ LYS 22 3.551 22.414 -7.004 178 HZ2 LYS 22 1HZ LYS 22 2.929 21.346 -5.852 179 HZ3 LYS 22 2HZ LYS 22 1.926 21.955 -7.063 180 H SER 23 H SER 23 0.734 17.207 -6.321 181 HA SER 23 HA SER 23 0.825 14.675 -4.888 182 HB2 SER 23 2HB SER 23 -1.127 15.670 -6.989 183 HB3 SER 23 1HB SER 23 -1.307 14.186 -6.052 184 HG SER 23 HG SER 23 -1.156 16.812 -4.963 185 H ILE 24 H ILE 24 2.079 13.066 -5.596 186 HA ILE 24 HA ILE 24 2.734 12.884 -8.464 187 HB ILE 24 HB ILE 24 4.193 11.606 -6.139 188 HG12 ILE 24 2HG1 ILE 24 4.352 14.047 -5.976 189 HG13 ILE 24 1HG1 ILE 24 5.900 13.361 -6.448 190 HG21 ILE 24 1HG2 ILE 24 4.534 10.426 -8.233 191 HG22 ILE 24 2HG2 ILE 24 6.007 11.280 -7.776 192 HG23 ILE 24 3HG2 ILE 24 4.967 11.933 -9.041 193 HD11 ILE 24 3HD1 ILE 24 5.478 14.013 -8.765 194 HD12 ILE 24 1HD1 ILE 24 5.435 15.394 -7.670 195 HD13 ILE 24 2HD1 ILE 24 3.931 14.709 -8.283 196 HA PRO 25 HA PRO 25 0.219 9.078 -8.269 197 HB2 PRO 25 2HB PRO 25 -0.082 8.791 -10.941 198 HB3 PRO 25 1HB PRO 25 -1.028 9.954 -10.006 199 HG2 PRO 25 2HG PRO 25 1.408 10.413 -11.691 200 HG3 PRO 25 1HG PRO 25 -0.077 11.379 -11.586 201 HD2 PRO 25 2HD PRO 25 2.237 12.033 -10.279 202 HD3 PRO 25 1HD PRO 25 0.624 12.473 -9.682 203 H LEU 26 H LEU 26 1.341 7.279 -7.789 204 HA LEU 26 HA LEU 26 3.540 6.404 -9.567 205 HB2 LEU 26 2HB LEU 26 3.152 5.834 -6.622 206 HB3 LEU 26 1HB LEU 26 4.473 5.234 -7.607 207 HG LEU 26 HG LEU 26 3.953 8.146 -6.976 208 HD11 LEU 26 1HD1 LEU 26 5.929 7.997 -5.561 209 HD12 LEU 26 2HD1 LEU 26 6.073 6.275 -5.913 210 HD13 LEU 26 3HD1 LEU 26 4.682 6.878 -5.014 211 HD21 LEU 26 3HD2 LEU 26 5.029 7.876 -9.140 212 HD22 LEU 26 1HD2 LEU 26 6.248 6.816 -8.429 213 HD23 LEU 26 2HD2 LEU 26 6.175 8.517 -7.965 214 H SER 27 H SER 27 3.913 3.984 -9.514 215 HA SER 27 HA SER 27 1.580 2.365 -8.831 216 HB2 SER 27 2HB SER 27 2.713 2.504 -11.637 217 HB3 SER 27 1HB SER 27 1.648 1.214 -11.077 218 HG SER 27 HG SER 27 0.544 3.567 -10.445 219 H VAL 28 H VAL 28 2.507 0.988 -7.437 220 HA VAL 28 HA VAL 28 4.944 -0.453 -8.298 221 HB VAL 28 HB VAL 28 5.771 -0.488 -6.012 222 HG11 VAL 28 1HG1 VAL 28 6.466 1.372 -7.434 223 HG12 VAL 28 2HG1 VAL 28 6.353 1.877 -5.749 224 HG13 VAL 28 3HG1 VAL 28 5.083 2.322 -6.889 225 HG21 VAL 28 3HG2 VAL 28 4.694 0.847 -4.237 226 HG22 VAL 28 1HG2 VAL 28 3.664 -0.470 -4.798 227 HG23 VAL 28 2HG2 VAL 28 3.348 1.184 -5.324 228 H SER 29 H SER 29 5.285 -2.491 -6.910 229 HA SER 29 HA SER 29 2.761 -3.982 -6.887 230 HB2 SER 29 2HB SER 29 4.546 -5.012 -8.165 231 HB3 SER 29 1HB SER 29 5.646 -4.916 -6.790 232 HG SER 29 HG SER 29 4.852 -6.978 -6.819 233 HA PRO 30 HA PRO 30 2.454 -4.147 -2.437 234 HB2 PRO 30 2HB PRO 30 1.336 -6.647 -2.149 235 HB3 PRO 30 1HB PRO 30 0.433 -5.202 -2.619 236 HG2 PRO 30 2HG PRO 30 1.576 -7.366 -4.358 237 HG3 PRO 30 1HG PRO 30 -0.021 -6.595 -4.441 238 HD2 PRO 30 2HD PRO 30 1.945 -5.884 -6.113 239 HD3 PRO 30 1HD PRO 30 0.826 -4.672 -5.452 240 H ASP 31 H ASP 31 4.418 -6.299 -4.241 241 HA ASP 31 HA ASP 31 5.546 -7.820 -2.114 242 HB2 ASP 31 2HB ASP 31 6.717 -7.055 -4.802 243 HB3 ASP 31 1HB ASP 31 7.399 -8.260 -3.716 244 H CYS 32 H CYS 32 6.095 -4.590 -3.308 245 HA CYS 32 HA CYS 32 8.703 -4.235 -2.168 246 HB2 CYS 32 2HB CYS 32 6.687 -2.204 -3.161 247 HB3 CYS 32 1HB CYS 32 8.344 -1.827 -2.697 248 HG CYS 32 HG CYS 32 9.305 -2.174 -5.039 249 H THR 33 H THR 33 9.268 -2.793 -0.449 250 HA THR 33 HA THR 33 7.235 -2.541 1.668 251 HB THR 33 HB THR 33 9.092 -2.143 3.216 252 HG1 THR 33 HG1 THR 33 11.261 -2.728 1.971 253 HG21 THR 33 3HG2 THR 33 9.561 -4.562 1.456 254 HG22 THR 33 1HG2 THR 33 8.456 -4.468 2.827 255 HG23 THR 33 2HG2 THR 33 10.196 -4.347 3.088 256 H VAL 34 H VAL 34 7.199 -0.489 2.930 257 HA VAL 34 HA VAL 34 7.148 1.818 1.304 258 HB VAL 34 HB VAL 34 6.838 3.120 3.332 259 HG11 VAL 34 1HG1 VAL 34 4.922 1.876 2.481 260 HG12 VAL 34 2HG1 VAL 34 4.867 1.978 4.240 261 HG13 VAL 34 3HG1 VAL 34 5.373 0.480 3.461 262 HG21 VAL 34 3HG2 VAL 34 6.960 2.085 5.554 263 HG22 VAL 34 1HG2 VAL 34 8.527 2.085 4.746 264 HG23 VAL 34 2HG2 VAL 34 7.575 0.602 4.826 265 H LYS 35 H LYS 35 9.712 0.345 3.143 266 HA LYS 35 HA LYS 35 11.583 2.487 2.999 267 HB2 LYS 35 2HB LYS 35 11.893 0.606 4.547 268 HB3 LYS 35 1HB LYS 35 12.041 -0.503 3.189 269 HG2 LYS 35 2HG LYS 35 14.074 0.680 2.465 270 HG3 LYS 35 1HG LYS 35 13.931 1.749 3.859 271 HD2 LYS 35 2HD LYS 35 15.559 -0.015 4.286 272 HD3 LYS 35 1HD LYS 35 14.171 -0.174 5.361 273 HE2 LYS 35 2HE LYS 35 13.256 -1.939 3.946 274 HE3 LYS 35 1HE LYS 35 14.601 -1.754 2.819 275 HZ1 LYS 35 3HZ LYS 35 14.903 -3.626 4.335 276 HZ2 LYS 35 1HZ LYS 35 14.851 -2.579 5.662 277 HZ3 LYS 35 2HZ LYS 35 16.113 -2.465 4.542 278 H ASP 36 H ASP 36 10.920 -0.338 0.948 279 HA ASP 36 HA ASP 36 12.836 0.039 -1.036 280 HB2 ASP 36 2HB ASP 36 11.185 -1.896 -0.735 281 HB3 ASP 36 1HB ASP 36 10.002 -0.891 -1.566 282 H LEU 37 H LEU 37 9.603 1.467 -0.706 283 HA LEU 37 HA LEU 37 9.549 3.054 -3.005 284 HB2 LEU 37 2HB LEU 37 8.373 3.538 -0.266 285 HB3 LEU 37 1HB LEU 37 8.036 4.561 -1.651 286 HG LEU 37 HG LEU 37 7.383 1.612 -1.464 287 HD11 LEU 37 1HD1 LEU 37 5.061 2.319 -1.327 288 HD12 LEU 37 2HD1 LEU 37 5.554 4.012 -1.343 289 HD13 LEU 37 3HD1 LEU 37 5.989 2.978 0.020 290 HD21 LEU 37 3HD2 LEU 37 7.876 2.318 -3.746 291 HD22 LEU 37 1HD2 LEU 37 6.731 3.651 -3.597 292 HD23 LEU 37 2HD2 LEU 37 6.155 1.984 -3.552 293 H LYS 38 H LYS 38 10.778 3.913 0.247 294 HA LYS 38 HA LYS 38 11.666 6.493 -0.246 295 HB2 LYS 38 2HB LYS 38 13.049 4.373 1.424 296 HB3 LYS 38 1HB LYS 38 13.373 6.097 1.513 297 HG2 LYS 38 2HG LYS 38 11.176 6.528 2.389 298 HG3 LYS 38 1HG LYS 38 10.701 4.845 2.137 299 HD2 LYS 38 2HD LYS 38 12.463 4.145 3.739 300 HD3 LYS 38 1HD LYS 38 12.835 5.845 4.036 301 HE2 LYS 38 2HE LYS 38 10.098 4.660 4.478 302 HE3 LYS 38 1HE LYS 38 11.334 4.711 5.733 303 HZ1 LYS 38 3HZ LYS 38 9.790 6.575 5.873 304 HZ2 LYS 38 1HZ LYS 38 10.238 7.087 4.325 305 HZ3 LYS 38 2HZ LYS 38 11.368 7.105 5.582 306 H SER 39 H SER 39 13.346 3.424 -0.874 307 HA SER 39 HA SER 39 15.733 4.577 -1.904 308 HB2 SER 39 2HB SER 39 15.743 2.298 -1.050 309 HB3 SER 39 1HB SER 39 14.592 1.794 -2.287 310 HG SER 39 HG SER 39 16.698 2.968 -3.465 311 H GLN 40 H GLN 40 12.725 3.528 -3.463 312 HA GLN 40 HA GLN 40 13.685 3.784 -6.140 313 HB2 GLN 40 2HB GLN 40 10.890 3.731 -4.986 314 HB3 GLN 40 1HB GLN 40 11.198 3.873 -6.711 315 HG2 GLN 40 2HG GLN 40 12.398 1.719 -6.649 316 HG3 GLN 40 1HG GLN 40 12.010 1.575 -4.936 317 HE21 GLN 40 1HE2 GLN 40 9.339 2.716 -5.265 318 HE22 GLN 40 2HE2 GLN 40 8.391 1.496 -6.027 319 H LEU 41 H LEU 41 11.863 5.963 -4.004 320 HA LEU 41 HA LEU 41 11.553 8.001 -5.986 321 HB2 LEU 41 2HB LEU 41 11.173 8.063 -2.993 322 HB3 LEU 41 1HB LEU 41 10.755 9.387 -4.067 323 HG LEU 41 HG LEU 41 9.521 6.624 -4.111 324 HD11 LEU 41 1HD1 LEU 41 8.395 9.281 -3.220 325 HD12 LEU 41 2HD1 LEU 41 8.816 7.922 -2.178 326 HD13 LEU 41 3HD1 LEU 41 7.496 7.767 -3.335 327 HD21 LEU 41 3HD2 LEU 41 7.963 7.570 -5.753 328 HD22 LEU 41 1HD2 LEU 41 9.622 7.593 -6.351 329 HD23 LEU 41 2HD2 LEU 41 8.877 9.076 -5.757 330 H GLN 42 H GLN 42 14.025 7.362 -3.569 331 HA GLN 42 HA GLN 42 15.010 9.897 -3.111 332 HB2 GLN 42 2HB GLN 42 15.791 7.972 -1.860 333 HB3 GLN 42 1HB GLN 42 16.595 7.330 -3.286 334 HG2 GLN 42 2HG GLN 42 18.130 9.213 -3.303 335 HG3 GLN 42 1HG GLN 42 17.291 9.931 -1.929 336 HE21 GLN 42 1HE2 GLN 42 19.165 9.919 -0.683 337 HE22 GLN 42 2HE2 GLN 42 19.810 8.461 -0.011 338 HA PRO 43 HA PRO 43 17.991 9.695 -6.945 339 HB2 PRO 43 2HB PRO 43 16.799 7.674 -8.736 340 HB3 PRO 43 1HB PRO 43 18.480 7.876 -8.234 341 HG2 PRO 43 2HG PRO 43 16.987 5.828 -7.347 342 HG3 PRO 43 1HG PRO 43 18.196 6.612 -6.311 343 HD2 PRO 43 2HD PRO 43 15.214 7.002 -6.370 344 HD3 PRO 43 1HD PRO 43 16.294 6.810 -4.972 345 H ILE 44 H ILE 44 14.561 9.410 -7.076 346 HA ILE 44 HA ILE 44 14.282 10.785 -9.631 347 HB ILE 44 HB ILE 44 12.176 9.843 -7.666 348 HG12 ILE 44 2HG1 ILE 44 13.126 8.610 -10.273 349 HG13 ILE 44 1HG1 ILE 44 13.489 8.000 -8.663 350 HG21 ILE 44 1HG2 ILE 44 11.883 10.854 -10.495 351 HG22 ILE 44 2HG2 ILE 44 11.343 11.672 -9.029 352 HG23 ILE 44 3HG2 ILE 44 10.588 10.156 -9.520 353 HD11 ILE 44 3HD1 ILE 44 11.121 7.546 -8.295 354 HD12 ILE 44 1HD1 ILE 44 11.727 6.717 -9.729 355 HD13 ILE 44 2HD1 ILE 44 10.750 8.174 -9.903 356 H THR 45 H THR 45 13.333 11.355 -6.241 357 HA THR 45 HA THR 45 12.612 14.125 -6.860 358 HB THR 45 HB THR 45 11.591 14.156 -4.631 359 HG1 THR 45 HG1 THR 45 11.599 11.988 -3.533 360 HG21 THR 45 3HG2 THR 45 10.273 13.266 -6.502 361 HG22 THR 45 1HG2 THR 45 9.874 12.429 -5.004 362 HG23 THR 45 2HG2 THR 45 10.913 11.650 -6.195 363 H ASN 46 H ASN 46 15.130 12.324 -5.338 364 HA ASN 46 HA ASN 46 17.166 12.914 -4.549 365 HB2 ASN 46 2HB ASN 46 16.411 15.708 -5.425 366 HB3 ASN 46 1HB ASN 46 18.027 15.189 -4.957 367 HD21 ASN 46 1HD2 ASN 46 15.608 15.122 -7.417 368 HD22 ASN 46 2HD2 ASN 46 16.577 14.380 -8.636 369 H VAL 47 H VAL 47 14.732 13.033 -2.836 370 HA VAL 47 HA VAL 47 15.778 14.779 -0.697 371 HB VAL 47 HB VAL 47 13.453 15.255 -1.249 372 HG11 VAL 47 1HG1 VAL 47 12.782 13.110 -2.155 373 HG12 VAL 47 2HG1 VAL 47 11.678 13.599 -0.871 374 HG13 VAL 47 3HG1 VAL 47 12.903 12.370 -0.559 375 HG21 VAL 47 3HG2 VAL 47 13.717 13.864 1.423 376 HG22 VAL 47 1HG2 VAL 47 12.454 15.016 0.984 377 HG23 VAL 47 2HG2 VAL 47 14.134 15.541 1.073 378 H LEU 48 H LEU 48 16.356 13.954 1.278 379 HA LEU 48 HA LEU 48 17.463 11.441 1.468 380 HB2 LEU 48 2HB LEU 48 16.448 13.177 3.723 381 HB3 LEU 48 1HB LEU 48 17.545 11.823 3.919 382 HG LEU 48 HG LEU 48 18.145 14.348 2.360 383 HD11 LEU 48 1HD1 LEU 48 19.164 13.427 5.050 384 HD12 LEU 48 2HD1 LEU 48 18.042 14.755 4.762 385 HD13 LEU 48 3HD1 LEU 48 19.700 14.860 4.174 386 HD21 LEU 48 3HD2 LEU 48 19.931 12.005 3.038 387 HD22 LEU 48 1HD2 LEU 48 20.428 13.489 2.223 388 HD23 LEU 48 2HD2 LEU 48 19.293 12.393 1.440 389 HA PRO 49 HA PRO 49 14.031 8.614 1.981 390 HB2 PRO 49 2HB PRO 49 15.473 6.540 3.095 391 HB3 PRO 49 1HB PRO 49 15.393 6.885 1.364 392 HG2 PRO 49 2HG PRO 49 17.512 7.635 3.347 393 HG3 PRO 49 1HG PRO 49 17.694 7.026 1.690 394 HD2 PRO 49 2HD PRO 49 17.983 9.633 2.257 395 HD3 PRO 49 1HD PRO 49 17.225 9.097 0.744 396 H ARG 50 H ARG 50 16.243 9.337 4.638 397 HA ARG 50 HA ARG 50 14.647 8.365 6.767 398 HB2 ARG 50 2HB ARG 50 17.068 8.956 6.938 399 HB3 ARG 50 1HB ARG 50 16.635 10.655 6.795 400 HG2 ARG 50 2HG ARG 50 15.326 10.466 8.884 401 HG3 ARG 50 1HG ARG 50 15.852 8.787 9.033 402 HD2 ARG 50 2HD ARG 50 17.586 11.259 9.085 403 HD3 ARG 50 1HD ARG 50 17.249 10.166 10.426 404 HE ARG 50 HE ARG 50 18.501 8.891 8.164 405 HH11 ARG 50 1HH1 ARG 50 19.035 10.589 11.109 406 HH12 ARG 50 2HH1 ARG 50 20.644 9.984 11.288 407 HH21 ARG 50 1HH2 ARG 50 20.575 8.149 8.389 408 HH22 ARG 50 2HH2 ARG 50 21.518 8.652 9.750 409 H GLY 51 H GLY 51 14.779 11.456 5.072 410 HA2 GLY 51 2HA GLY 51 12.907 12.789 6.807 411 HA3 GLY 51 1HA GLY 51 13.520 13.385 5.274 412 H GLN 52 H GLN 52 12.663 10.910 3.858 413 HA GLN 52 HA GLN 52 10.052 11.709 3.111 414 HB2 GLN 52 2HB GLN 52 11.623 9.195 2.530 415 HB3 GLN 52 1HB GLN 52 10.032 9.506 1.848 416 HG2 GLN 52 2HG GLN 52 10.897 11.542 0.783 417 HG3 GLN 52 1HG GLN 52 12.494 11.200 1.449 418 HE21 GLN 52 1HE2 GLN 52 13.740 9.599 0.509 419 HE22 GLN 52 2HE2 GLN 52 13.322 8.830 -0.976 420 H LYS 53 H LYS 53 8.885 11.758 5.093 421 HA LYS 53 HA LYS 53 8.375 9.258 6.496 422 HB2 LYS 53 2HB LYS 53 7.317 12.055 6.963 423 HB3 LYS 53 1HB LYS 53 7.030 10.679 8.022 424 HG2 LYS 53 2HG LYS 53 9.338 10.532 8.585 425 HG3 LYS 53 1HG LYS 53 9.778 11.725 7.360 426 HD2 LYS 53 2HD LYS 53 8.424 13.409 8.617 427 HD3 LYS 53 1HD LYS 53 8.173 12.199 9.878 428 HE2 LYS 53 2HE LYS 53 10.847 13.279 8.970 429 HE3 LYS 53 1HE LYS 53 10.001 13.732 10.447 430 HZ1 LYS 53 3HZ LYS 53 10.195 11.458 11.220 431 HZ2 LYS 53 1HZ LYS 53 11.723 12.091 10.870 432 HZ3 LYS 53 2HZ LYS 53 10.986 11.006 9.800 433 H LEU 54 H LEU 54 7.092 7.915 5.326 434 HA LEU 54 HA LEU 54 4.756 8.822 3.895 435 HB2 LEU 54 2HB LEU 54 5.791 6.059 4.556 436 HB3 LEU 54 1HB LEU 54 4.347 6.350 3.603 437 HG LEU 54 HG LEU 54 7.119 7.293 2.830 438 HD11 LEU 54 1HD1 LEU 54 7.053 5.517 1.141 439 HD12 LEU 54 2HD1 LEU 54 5.523 4.940 1.805 440 HD13 LEU 54 3HD1 LEU 54 6.995 4.858 2.776 441 HD21 LEU 54 3HD2 LEU 54 5.330 8.689 1.922 442 HD22 LEU 54 1HD2 LEU 54 4.522 7.258 1.281 443 HD23 LEU 54 2HD2 LEU 54 6.096 7.741 0.648 444 H ILE 55 H ILE 55 2.846 9.251 4.808 445 HA ILE 55 HA ILE 55 2.115 7.883 7.326 446 HB ILE 55 HB ILE 55 1.588 10.794 6.659 447 HG12 ILE 55 2HG1 ILE 55 3.486 9.623 8.721 448 HG13 ILE 55 1HG1 ILE 55 3.991 10.229 7.148 449 HG21 ILE 55 1HG2 ILE 55 1.043 9.228 9.190 450 HG22 ILE 55 2HG2 ILE 55 -0.169 9.812 8.050 451 HG23 ILE 55 3HG2 ILE 55 0.792 10.961 8.977 452 HD11 ILE 55 3HD1 ILE 55 3.165 12.457 7.767 453 HD12 ILE 55 1HD1 ILE 55 4.422 11.864 8.854 454 HD13 ILE 55 2HD1 ILE 55 2.729 11.833 9.358 455 H PHE 56 H PHE 56 0.454 6.580 6.868 456 HA PHE 56 HA PHE 56 -1.808 7.624 5.273 457 HB2 PHE 56 2HB PHE 56 -0.500 5.989 3.950 458 HB3 PHE 56 1HB PHE 56 -0.712 4.792 5.222 459 HD1 PHE 56 HD1 PHE 56 -2.858 7.078 3.170 460 HD2 PHE 56 HD2 PHE 56 -2.321 3.184 4.822 461 HE1 PHE 56 HE1 PHE 56 -4.936 6.336 2.092 462 HE2 PHE 56 HE2 PHE 56 -4.407 2.440 3.743 463 HZ PHE 56 HZ PHE 56 -5.714 4.018 2.375 464 H LYS 57 H LYS 57 -3.901 6.996 5.973 465 HA LYS 57 HA LYS 57 -5.521 6.534 7.522 466 HB2 LYS 57 2HB LYS 57 -3.463 4.576 8.588 467 HB3 LYS 57 1HB LYS 57 -5.117 4.679 9.170 468 HG2 LYS 57 2HG LYS 57 -4.340 4.022 6.333 469 HG3 LYS 57 1HG LYS 57 -4.718 2.828 7.578 470 HD2 LYS 57 2HD LYS 57 -6.960 4.024 7.824 471 HD3 LYS 57 1HD LYS 57 -6.553 4.864 6.323 472 HE2 LYS 57 2HE LYS 57 -7.940 2.916 5.863 473 HE3 LYS 57 1HE LYS 57 -6.329 2.705 5.179 474 HZ1 LYS 57 3HZ LYS 57 -7.264 1.547 7.753 475 HZ2 LYS 57 1HZ LYS 57 -5.743 1.314 7.055 476 HZ3 LYS 57 2HZ LYS 57 -7.122 0.703 6.298 477 H GLY 58 H GLY 58 -3.253 8.520 8.009 478 HA2 GLY 58 2HA GLY 58 -2.484 9.920 9.677 479 HA3 GLY 58 1HA GLY 58 -3.744 9.269 10.717 480 H LYS 59 H LYS 59 -1.557 7.093 9.218 481 HA LYS 59 HA LYS 59 -0.106 6.644 11.750 482 HB2 LYS 59 2HB LYS 59 -1.723 4.896 11.561 483 HB3 LYS 59 1HB LYS 59 -1.396 4.680 9.850 484 HG2 LYS 59 2HG LYS 59 0.806 3.747 10.381 485 HG3 LYS 59 1HG LYS 59 0.487 3.974 12.101 486 HD2 LYS 59 2HD LYS 59 0.084 1.649 11.409 487 HD3 LYS 59 1HD LYS 59 -1.396 2.418 11.979 488 HE2 LYS 59 2HE LYS 59 -2.058 2.826 9.634 489 HE3 LYS 59 1HE LYS 59 -0.594 2.008 9.091 490 HZ1 LYS 59 3HZ LYS 59 -2.584 0.581 9.062 491 HZ2 LYS 59 1HZ LYS 59 -2.712 0.745 10.741 492 HZ3 LYS 59 2HZ LYS 59 -1.366 -0.026 10.065 493 H VAL 60 H VAL 60 2.061 6.802 11.509 494 HA VAL 60 HA VAL 60 3.267 7.010 8.914 495 HB VAL 60 HB VAL 60 4.149 8.282 10.822 496 HG11 VAL 60 1HG1 VAL 60 3.782 6.664 12.607 497 HG12 VAL 60 2HG1 VAL 60 5.467 7.186 12.576 498 HG13 VAL 60 3HG1 VAL 60 5.022 5.607 11.927 499 HG21 VAL 60 3HG2 VAL 60 5.626 7.841 8.940 500 HG22 VAL 60 1HG2 VAL 60 6.137 6.316 9.667 501 HG23 VAL 60 2HG2 VAL 60 6.544 7.846 10.447 502 H LEU 61 H LEU 61 4.369 5.484 7.747 503 HA LEU 61 HA LEU 61 4.002 2.730 8.624 504 HB2 LEU 61 2HB LEU 61 4.903 3.848 5.965 505 HB3 LEU 61 1HB LEU 61 4.689 2.141 6.305 506 HG LEU 61 HG LEU 61 2.737 2.751 5.164 507 HD11 LEU 61 1HD1 LEU 61 0.930 2.521 6.771 508 HD12 LEU 61 2HD1 LEU 61 2.017 2.954 8.090 509 HD13 LEU 61 3HD1 LEU 61 2.273 1.457 7.193 510 HD21 LEU 61 3HD2 LEU 61 1.376 4.715 5.666 511 HD22 LEU 61 1HD2 LEU 61 3.023 5.172 5.233 512 HD23 LEU 61 2HD2 LEU 61 2.517 5.198 6.923 513 H VAL 62 H VAL 62 5.599 1.165 8.734 514 HA VAL 62 HA VAL 62 8.229 2.219 9.505 515 HB VAL 62 HB VAL 62 7.038 -0.520 10.025 516 HG11 VAL 62 1HG1 VAL 62 9.468 0.833 11.215 517 HG12 VAL 62 2HG1 VAL 62 9.471 -0.542 10.109 518 HG13 VAL 62 3HG1 VAL 62 8.803 -0.718 11.733 519 HG21 VAL 62 3HG2 VAL 62 6.623 0.285 12.310 520 HG22 VAL 62 1HG2 VAL 62 5.715 1.213 11.118 521 HG23 VAL 62 2HG2 VAL 62 7.172 1.894 11.842 522 H GLU 63 H GLU 63 10.181 1.276 8.758 523 HA GLU 63 HA GLU 63 10.450 0.786 6.079 524 HB2 GLU 63 2HB GLU 63 12.204 -0.273 8.308 525 HB3 GLU 63 1HB GLU 63 12.665 -0.219 6.612 526 HG2 GLU 63 2HG GLU 63 12.464 2.228 6.642 527 HG3 GLU 63 1HG GLU 63 12.028 2.166 8.348 528 H THR 64 H THR 64 9.687 -1.623 8.539 529 HA THR 64 HA THR 64 10.230 -3.892 6.837 530 HB THR 64 HB THR 64 9.350 -5.272 8.656 531 HG1 THR 64 HG1 THR 64 7.670 -4.141 9.528 532 HG21 THR 64 3HG2 THR 64 11.109 -3.021 9.652 533 HG22 THR 64 1HG2 THR 64 11.657 -4.495 8.853 534 HG23 THR 64 2HG2 THR 64 10.905 -4.582 10.445 535 H SER 65 H SER 65 7.533 -1.820 7.207 536 HA SER 65 HA SER 65 5.530 -3.838 6.641 537 HB2 SER 65 2HB SER 65 3.906 -1.966 6.687 538 HB3 SER 65 1HB SER 65 4.912 -2.013 8.132 539 HG SER 65 HG SER 65 6.028 -0.460 6.206 540 H THR 66 H THR 66 4.937 -4.500 4.705 541 HA THR 66 HA THR 66 5.741 -3.151 2.270 542 HB THR 66 HB THR 66 4.686 -5.005 1.083 543 HG1 THR 66 HG1 THR 66 3.810 -6.721 2.660 544 HG21 THR 66 3HG2 THR 66 6.231 -5.969 3.501 545 HG22 THR 66 1HG2 THR 66 6.923 -5.424 1.973 546 HG23 THR 66 2HG2 THR 66 5.958 -6.898 2.029 547 H LEU 67 H LEU 67 4.033 -2.845 0.490 548 HA LEU 67 HA LEU 67 2.162 -0.933 1.177 549 HB2 LEU 67 2HB LEU 67 2.191 -2.823 -1.175 550 HB3 LEU 67 1HB LEU 67 0.991 -1.557 -1.005 551 HG LEU 67 HG LEU 67 2.672 -0.757 -2.496 552 HD11 LEU 67 1HD1 LEU 67 1.806 0.892 -0.942 553 HD12 LEU 67 2HD1 LEU 67 3.487 1.236 -1.351 554 HD13 LEU 67 3HD1 LEU 67 3.090 0.510 0.208 555 HD21 LEU 67 3HD2 LEU 67 4.739 -1.385 -0.385 556 HD22 LEU 67 1HD2 LEU 67 5.036 -0.611 -1.944 557 HD23 LEU 67 2HD2 LEU 67 4.486 -2.286 -1.881 558 H LYS 68 H LYS 68 1.663 -4.433 0.932 559 HA LYS 68 HA LYS 68 -1.093 -4.444 1.571 560 HB2 LYS 68 2HB LYS 68 -0.251 -6.438 0.646 561 HB3 LYS 68 1HB LYS 68 1.098 -6.501 1.770 562 HG2 LYS 68 2HG LYS 68 -0.344 -7.150 3.573 563 HG3 LYS 68 1HG LYS 68 -1.780 -6.888 2.585 564 HD2 LYS 68 2HD LYS 68 0.355 -8.914 1.904 565 HD3 LYS 68 1HD LYS 68 -1.070 -9.296 2.873 566 HE2 LYS 68 2HE LYS 68 -1.134 -8.194 0.058 567 HE3 LYS 68 1HE LYS 68 -1.346 -9.892 0.488 568 HZ1 LYS 68 3HZ LYS 68 -3.105 -7.649 1.324 569 HZ2 LYS 68 1HZ LYS 68 -3.298 -9.260 1.795 570 HZ3 LYS 68 2HZ LYS 68 -3.474 -8.826 0.172 571 H GLN 69 H GLN 69 1.795 -4.840 3.622 572 HA GLN 69 HA GLN 69 0.387 -5.102 6.080 573 HB2 GLN 69 2HB GLN 69 3.244 -4.248 5.545 574 HB3 GLN 69 1HB GLN 69 2.602 -4.702 7.118 575 HG2 GLN 69 2HG GLN 69 2.282 -6.957 6.433 576 HG3 GLN 69 1HG GLN 69 2.614 -6.556 4.747 577 HE21 GLN 69 1HE2 GLN 69 4.294 -8.054 4.627 578 HE22 GLN 69 2HE2 GLN 69 5.823 -7.785 5.385 579 H SER 70 H SER 70 1.060 -2.387 4.135 580 HA SER 70 HA SER 70 0.814 -0.482 6.359 581 HB2 SER 70 2HB SER 70 1.509 -0.022 3.445 582 HB3 SER 70 1HB SER 70 1.494 1.219 4.699 583 HG SER 70 HG SER 70 3.270 0.353 5.604 584 H ASP 71 H ASP 71 -1.338 -2.143 4.730 585 HA ASP 71 HA ASP 71 -3.546 -1.924 4.272 586 HB2 ASP 71 2HB ASP 71 -3.258 0.765 5.644 587 HB3 ASP 71 1HB ASP 71 -4.786 -0.027 5.266 588 H VAL 72 H VAL 72 -1.366 -0.633 2.486 589 HA VAL 72 HA VAL 72 -2.767 1.528 1.153 590 HB VAL 72 HB VAL 72 -0.165 0.157 0.427 591 HG11 VAL 72 1HG1 VAL 72 0.247 2.140 -0.988 592 HG12 VAL 72 2HG1 VAL 72 -1.381 2.719 -0.630 593 HG13 VAL 72 3HG1 VAL 72 -1.157 1.217 -1.527 594 HG21 VAL 72 3HG2 VAL 72 -0.679 2.760 1.883 595 HG22 VAL 72 1HG2 VAL 72 0.904 2.143 1.404 596 HG23 VAL 72 2HG2 VAL 72 -0.059 1.272 2.598 597 H GLY 73 H GLY 73 -3.762 1.490 -0.809 598 HA2 GLY 73 2HA GLY 73 -3.668 -0.949 -2.453 599 HA3 GLY 73 1HA GLY 73 -5.236 -0.350 -1.928 600 H SER 74 H SER 74 -5.050 -0.512 -4.556 601 HA SER 74 HA SER 74 -3.805 1.645 -5.899 602 HB2 SER 74 2HB SER 74 -4.601 -0.455 -7.008 603 HB3 SER 74 1HB SER 74 -6.256 0.131 -6.836 604 HG SER 74 HG SER 74 -5.894 1.131 -8.649 605 H GLY 75 H GLY 75 -4.244 3.723 -5.573 606 HA2 GLY 75 2HA GLY 75 -5.719 5.605 -5.875 607 HA3 GLY 75 1HA GLY 75 -7.053 4.602 -5.327 608 H ALA 76 H ALA 76 -4.199 4.191 -3.514 609 HA ALA 76 HA ALA 76 -5.388 5.344 -1.164 610 HB1 ALA 76 3HB ALA 76 -4.079 3.296 -1.011 611 HB2 ALA 76 1HB ALA 76 -3.370 4.563 -0.010 612 HB3 ALA 76 2HB ALA 76 -2.642 4.155 -1.564 613 H LYS 77 H LYS 77 -5.048 7.269 -0.261 614 HA LYS 77 HA LYS 77 -3.327 9.204 -1.604 615 HB2 LYS 77 2HB LYS 77 -5.270 9.561 0.696 616 HB3 LYS 77 1HB LYS 77 -4.475 10.858 -0.188 617 HG2 LYS 77 2HG LYS 77 -5.680 10.318 -2.191 618 HG3 LYS 77 1HG LYS 77 -6.351 8.865 -1.454 619 HD2 LYS 77 2HD LYS 77 -6.870 11.642 -0.393 620 HD3 LYS 77 1HD LYS 77 -7.900 10.866 -1.594 621 HE2 LYS 77 2HE LYS 77 -8.909 10.526 0.542 622 HE3 LYS 77 1HE LYS 77 -8.237 8.982 0.028 623 HZ1 LYS 77 3HZ LYS 77 -6.401 9.278 1.516 624 HZ2 LYS 77 1HZ LYS 77 -7.827 9.524 2.386 625 HZ3 LYS 77 2HZ LYS 77 -6.893 10.845 1.908 626 H LEU 78 H LEU 78 -1.218 8.891 -0.992 627 HA LEU 78 HA LEU 78 -0.576 8.405 1.822 628 HB2 LEU 78 2HB LEU 78 1.233 8.445 -0.598 629 HB3 LEU 78 1HB LEU 78 1.693 7.947 1.020 630 HG LEU 78 HG LEU 78 -0.273 6.534 -0.795 631 HD11 LEU 78 1HD1 LEU 78 2.469 5.735 0.187 632 HD12 LEU 78 2HD1 LEU 78 2.050 6.223 -1.456 633 HD13 LEU 78 3HD1 LEU 78 1.387 4.733 -0.784 634 HD21 LEU 78 3HD2 LEU 78 0.622 5.828 2.003 635 HD22 LEU 78 1HD2 LEU 78 -0.362 4.810 0.951 636 HD23 LEU 78 2HD2 LEU 78 -0.994 6.353 1.524 637 H MET 79 H MET 79 -0.304 10.148 3.089 638 HA MET 79 HA MET 79 0.652 12.679 2.081 639 HB2 MET 79 2HB MET 79 -0.913 12.694 3.944 640 HB3 MET 79 1HB MET 79 0.170 11.699 4.910 641 HG2 MET 79 2HG MET 79 1.837 13.546 4.842 642 HG3 MET 79 1HG MET 79 0.642 14.537 4.009 643 HE1 MET 79 3HE MET 79 2.171 15.326 6.719 644 HE2 MET 79 1HE MET 79 0.857 16.043 7.652 645 HE3 MET 79 2HE MET 79 1.013 16.400 5.932 646 H LEU 80 H LEU 80 2.750 13.198 1.789 647 HA LEU 80 HA LEU 80 4.784 11.615 3.231 648 HB2 LEU 80 2HB LEU 80 4.778 11.290 0.786 649 HB3 LEU 80 1HB LEU 80 5.028 13.011 0.557 650 HG LEU 80 HG LEU 80 7.230 12.873 1.587 651 HD11 LEU 80 1HD1 LEU 80 6.812 11.122 3.217 652 HD12 LEU 80 2HD1 LEU 80 8.194 10.702 2.208 653 HD13 LEU 80 3HD1 LEU 80 6.634 9.935 1.926 654 HD21 LEU 80 3HD2 LEU 80 7.047 12.460 -0.816 655 HD22 LEU 80 1HD2 LEU 80 6.837 10.737 -0.507 656 HD23 LEU 80 2HD2 LEU 80 8.361 11.527 -0.102 657 H MET 81 H MET 81 5.373 12.796 4.961 658 HA MET 81 HA MET 81 5.586 15.666 4.902 659 HB2 MET 81 2HB MET 81 4.999 14.478 6.981 660 HB3 MET 81 1HB MET 81 6.562 13.677 6.972 661 HG2 MET 81 2HG MET 81 7.657 15.883 7.197 662 HG3 MET 81 1HG MET 81 6.063 16.629 7.311 663 HE1 MET 81 3HE MET 81 8.409 16.969 9.476 664 HE2 MET 81 1HE MET 81 7.496 16.833 10.979 665 HE3 MET 81 2HE MET 81 6.837 17.758 9.629 666 H ALA 82 H ALA 82 7.041 16.068 3.199 667 HA ALA 82 HA ALA 82 9.866 15.391 3.758 668 HB1 ALA 82 3HB ALA 82 8.551 15.495 1.037 669 HB2 ALA 82 1HB ALA 82 9.027 14.034 1.903 670 HB3 ALA 82 2HB ALA 82 10.255 15.171 1.354 671 H SER 83 H SER 83 11.162 16.847 1.893 672 HA SER 83 HA SER 83 10.336 19.633 2.455 673 HB2 SER 83 2HB SER 83 12.322 19.142 3.733 674 HB3 SER 83 1HB SER 83 13.130 18.472 2.314 675 HG SER 83 HG SER 83 13.699 20.418 1.769 676 H GLN 84 H GLN 84 9.683 20.641 0.676 677 HA GLN 84 HA GLN 84 10.862 20.006 -1.930 678 HB2 GLN 84 2HB GLN 84 8.397 20.218 -1.697 679 HB3 GLN 84 1HB GLN 84 8.593 21.894 -1.214 680 HG2 GLN 84 2HG GLN 84 9.701 21.016 -3.846 681 HG3 GLN 84 1HG GLN 84 7.961 21.228 -3.684 682 HE21 GLN 84 1HE2 GLN 84 9.906 22.710 -5.286 683 HE22 GLN 84 2HE2 GLN 84 9.750 24.362 -4.810 684 H GLY 85 H GLY 85 11.357 22.141 0.627 685 HA2 GLY 85 2HA GLY 85 13.329 23.542 0.611 686 HA3 GLY 85 1HA GLY 85 13.010 23.900 -1.080 Start of MODEL 2 1 H1 MET 1 1H MET 1 -18.245 -23.631 -7.366 2 H2 MET 1 2H MET 1 -16.794 -23.902 -8.187 3 H3 MET 1 3H MET 1 -16.887 -22.688 -7.015 4 HA MET 1 HA MET 1 -17.239 -24.318 -5.282 5 HB2 MET 1 2HB MET 1 -16.931 -26.301 -7.557 6 HB3 MET 1 1HB MET 1 -16.923 -26.739 -5.853 7 HG2 MET 1 2HG MET 1 -19.202 -26.023 -5.603 8 HG3 MET 1 1HG MET 1 -19.225 -25.384 -7.246 9 HE1 MET 1 3HE MET 1 -17.586 -28.755 -6.017 10 HE2 MET 1 1HE MET 1 -18.910 -29.892 -6.276 11 HE3 MET 1 2HE MET 1 -19.050 -28.642 -5.038 12 H GLY 2 H GLY 2 -15.421 -25.793 -4.413 13 HA2 GLY 2 2HA GLY 2 -13.198 -26.161 -3.971 14 HA3 GLY 2 1HA GLY 2 -12.921 -25.972 -5.692 15 H HIS 3 H HIS 3 -12.996 -24.318 -2.593 16 HA HIS 3 HA HIS 3 -12.277 -21.753 -3.584 17 HB2 HIS 3 2HB HIS 3 -11.588 -21.334 -1.152 18 HB3 HIS 3 1HB HIS 3 -13.269 -21.753 -1.459 19 HD1 HIS 3 HD1 HIS 3 -14.181 -23.799 -0.320 20 HD2 HIS 3 HD2 HIS 3 -10.056 -23.472 0.046 21 HE1 HIS 3 HE1 HIS 3 -13.513 -25.565 1.338 22 HE2 HIS 3 HE2 HIS 3 -10.996 -25.485 1.367 23 H HIS 4 H HIS 4 -10.560 -21.969 -5.001 24 HA HIS 4 HA HIS 4 -7.992 -22.910 -3.943 25 HB2 HIS 4 2HB HIS 4 -8.848 -22.148 -6.743 26 HB3 HIS 4 1HB HIS 4 -7.212 -22.639 -6.311 27 HD1 HIS 4 HD1 HIS 4 -10.668 -23.987 -6.786 28 HD2 HIS 4 HD2 HIS 4 -6.873 -25.384 -5.823 29 HE1 HIS 4 HE1 HIS 4 -10.816 -26.488 -6.929 30 HE2 HIS 4 HE2 HIS 4 -8.511 -27.314 -6.349 31 H HIS 5 H HIS 5 -6.192 -21.612 -3.707 32 HA HIS 5 HA HIS 5 -6.643 -18.700 -3.969 33 HB2 HIS 5 2HB HIS 5 -5.108 -20.118 -1.777 34 HB3 HIS 5 1HB HIS 5 -5.330 -18.378 -1.921 35 HD1 HIS 5 HD1 HIS 5 -6.971 -21.457 -0.712 36 HD2 HIS 5 HD2 HIS 5 -7.986 -17.479 -1.358 37 HE1 HIS 5 HE1 HIS 5 -9.142 -21.109 0.496 38 HE2 HIS 5 HE2 HIS 5 -9.793 -18.738 -0.008 39 H HIS 6 H HIS 6 -4.825 -17.384 -4.398 40 HA HIS 6 HA HIS 6 -2.291 -18.733 -5.084 41 HB2 HIS 6 2HB HIS 6 -3.716 -16.648 -6.767 42 HB3 HIS 6 1HB HIS 6 -2.073 -17.212 -7.057 43 HD1 HIS 6 HD1 HIS 6 -5.641 -18.170 -7.489 44 HD2 HIS 6 HD2 HIS 6 -1.882 -19.824 -8.127 45 HE1 HIS 6 HE1 HIS 6 -6.028 -20.176 -8.946 46 HE2 HIS 6 HE2 HIS 6 -3.746 -21.161 -9.320 47 H HIS 7 H HIS 7 -0.721 -16.617 -5.737 48 HA HIS 7 HA HIS 7 -0.529 -15.086 -3.302 49 HB2 HIS 7 2HB HIS 7 1.038 -14.868 -5.885 50 HB3 HIS 7 1HB HIS 7 1.436 -14.034 -4.384 51 HD1 HIS 7 HD1 HIS 7 3.604 -15.769 -5.399 52 HD2 HIS 7 HD2 HIS 7 0.567 -17.280 -2.997 53 HE1 HIS 7 HE1 HIS 7 4.524 -17.870 -4.385 54 HE2 HIS 7 HE2 HIS 7 2.739 -18.665 -2.814 55 H HIS 8 H HIS 8 -1.072 -14.184 -6.738 56 HA HIS 8 HA HIS 8 -2.573 -12.751 -7.668 57 HB2 HIS 8 2HB HIS 8 -4.240 -13.770 -6.303 58 HB3 HIS 8 1HB HIS 8 -3.708 -12.896 -4.874 59 HD1 HIS 8 HD1 HIS 8 -5.387 -12.194 -8.216 60 HD2 HIS 8 HD2 HIS 8 -5.102 -10.597 -4.388 61 HE1 HIS 8 HE1 HIS 8 -7.028 -10.296 -8.154 62 HE2 HIS 8 HE2 HIS 8 -6.911 -9.410 -5.805 63 H SER 9 H SER 9 -0.378 -11.673 -5.397 64 HA SER 9 HA SER 9 -1.398 -8.957 -5.163 65 HB2 SER 9 2HB SER 9 0.500 -8.617 -3.615 66 HB3 SER 9 1HB SER 9 -0.474 -10.019 -3.171 67 HG SER 9 HG SER 9 2.149 -9.874 -3.998 68 H HIS 10 H HIS 10 0.824 -10.571 -7.246 69 HA HIS 10 HA HIS 10 2.875 -8.681 -7.415 70 HB2 HIS 10 2HB HIS 10 3.023 -10.978 -8.336 71 HB3 HIS 10 1HB HIS 10 1.964 -10.491 -9.659 72 HD1 HIS 10 HD1 HIS 10 3.132 -9.618 -11.691 73 HD2 HIS 10 HD2 HIS 10 5.502 -9.327 -8.287 74 HE1 HIS 10 HE1 HIS 10 5.335 -8.718 -12.478 75 HE2 HIS 10 HE2 HIS 10 6.767 -8.591 -10.415 76 H SER 11 H SER 11 -0.318 -8.395 -8.666 77 HA SER 11 HA SER 11 0.166 -6.704 -10.875 78 HB2 SER 11 2HB SER 11 -2.037 -7.768 -10.420 79 HB3 SER 11 1HB SER 11 -2.261 -6.668 -9.059 80 HG SER 11 HG SER 11 -3.032 -5.325 -10.468 81 H THR 12 H THR 12 0.205 -4.434 -11.070 82 HA THR 12 HA THR 12 1.435 -3.159 -8.762 83 HB THR 12 HB THR 12 1.950 -1.300 -10.336 84 HG1 THR 12 HG1 THR 12 0.179 -1.554 -11.769 85 HG21 THR 12 3HG2 THR 12 2.709 -4.045 -11.350 86 HG22 THR 12 1HG2 THR 12 3.526 -3.164 -10.060 87 HG23 THR 12 2HG2 THR 12 3.555 -2.540 -11.710 88 H ILE 13 H ILE 13 0.422 -1.855 -7.412 89 HA ILE 13 HA ILE 13 -2.272 -0.910 -7.989 90 HB ILE 13 HB ILE 13 -2.284 -0.171 -5.619 91 HG12 ILE 13 2HG1 ILE 13 0.504 -1.377 -5.562 92 HG13 ILE 13 1HG1 ILE 13 0.108 0.325 -5.353 93 HG21 ILE 13 1HG2 ILE 13 -2.289 -2.417 -4.630 94 HG22 ILE 13 2HG2 ILE 13 -1.428 -3.042 -6.037 95 HG23 ILE 13 3HG2 ILE 13 -3.066 -2.407 -6.214 96 HD11 ILE 13 3HD1 ILE 13 -1.106 -0.234 -3.295 97 HD12 ILE 13 1HD1 ILE 13 0.594 -0.697 -3.230 98 HD13 ILE 13 2HD1 ILE 13 -0.644 -1.925 -3.500 99 H LYS 14 H LYS 14 -2.907 1.261 -7.938 100 HA LYS 14 HA LYS 14 -0.830 3.158 -8.728 101 HB2 LYS 14 2HB LYS 14 -3.851 3.383 -8.786 102 HB3 LYS 14 1HB LYS 14 -2.734 4.580 -9.426 103 HG2 LYS 14 2HG LYS 14 -1.940 3.011 -11.091 104 HG3 LYS 14 1HG LYS 14 -2.946 1.734 -10.406 105 HD2 LYS 14 2HD LYS 14 -3.990 2.667 -12.401 106 HD3 LYS 14 1HD LYS 14 -4.961 3.025 -10.973 107 HE2 LYS 14 2HE LYS 14 -4.829 4.975 -12.415 108 HE3 LYS 14 1HE LYS 14 -3.992 5.285 -10.893 109 HZ1 LYS 14 3HZ LYS 14 -2.658 4.483 -13.421 110 HZ2 LYS 14 1HZ LYS 14 -1.897 4.916 -11.975 111 HZ3 LYS 14 2HZ LYS 14 -2.765 6.073 -12.851 112 H LEU 15 H LEU 15 -0.057 4.675 -7.378 113 HA LEU 15 HA LEU 15 -1.513 5.158 -4.849 114 HB2 LEU 15 2HB LEU 15 1.473 5.243 -5.319 115 HB3 LEU 15 1HB LEU 15 0.663 5.508 -3.786 116 HG LEU 15 HG LEU 15 0.780 2.908 -5.329 117 HD11 LEU 15 1HD1 LEU 15 2.865 3.480 -4.188 118 HD12 LEU 15 2HD1 LEU 15 2.072 2.101 -3.426 119 HD13 LEU 15 3HD1 LEU 15 1.982 3.694 -2.674 120 HD21 LEU 15 3HD2 LEU 15 -0.631 3.561 -2.739 121 HD22 LEU 15 1HD2 LEU 15 -0.388 1.935 -3.380 122 HD23 LEU 15 2HD2 LEU 15 -1.380 3.090 -4.265 123 H THR 16 H THR 16 -1.861 7.225 -4.183 124 HA THR 16 HA THR 16 -0.757 9.434 -5.819 125 HB THR 16 HB THR 16 -3.162 9.499 -3.965 126 HG1 THR 16 HG1 THR 16 -2.913 9.196 -6.777 127 HG21 THR 16 3HG2 THR 16 -3.597 11.703 -4.965 128 HG22 THR 16 1HG2 THR 16 -2.106 11.571 -5.901 129 HG23 THR 16 2HG2 THR 16 -2.039 11.671 -4.139 130 H VAL 17 H VAL 17 1.138 10.031 -4.825 131 HA VAL 17 HA VAL 17 1.168 10.237 -1.890 132 HB VAL 17 HB VAL 17 2.963 8.898 -2.835 133 HG11 VAL 17 1HG1 VAL 17 3.149 9.910 -5.033 134 HG12 VAL 17 2HG1 VAL 17 4.721 9.888 -4.235 135 HG13 VAL 17 3HG1 VAL 17 3.799 11.389 -4.327 136 HG21 VAL 17 3HG2 VAL 17 4.886 10.021 -1.781 137 HG22 VAL 17 1HG2 VAL 17 3.435 10.111 -0.783 138 HG23 VAL 17 2HG2 VAL 17 3.959 11.519 -1.707 139 H LYS 18 H LYS 18 1.003 12.127 -0.924 140 HA LYS 18 HA LYS 18 1.120 14.626 -2.371 141 HB2 LYS 18 2HB LYS 18 0.641 13.956 0.541 142 HB3 LYS 18 1HB LYS 18 0.672 15.604 -0.068 143 HG2 LYS 18 2HG LYS 18 -1.265 15.239 -1.404 144 HG3 LYS 18 1HG LYS 18 -1.211 13.497 -1.118 145 HD2 LYS 18 2HD LYS 18 -2.949 14.649 0.227 146 HD3 LYS 18 1HD LYS 18 -1.751 13.816 1.217 147 HE2 LYS 18 2HE LYS 18 -2.226 15.973 2.190 148 HE3 LYS 18 1HE LYS 18 -0.584 15.981 1.553 149 HZ1 LYS 18 3HZ LYS 18 -1.738 18.018 1.014 150 HZ2 LYS 18 1HZ LYS 18 -2.968 17.159 0.232 151 HZ3 LYS 18 2HZ LYS 18 -1.402 17.157 -0.403 152 H PHE 19 H PHE 19 3.316 14.733 -3.039 153 HA PHE 19 HA PHE 19 5.390 14.841 -0.995 154 HB2 PHE 19 2HB PHE 19 5.545 13.890 -3.461 155 HB3 PHE 19 1HB PHE 19 5.869 15.569 -3.874 156 HD1 PHE 19 HD1 PHE 19 7.476 16.315 -1.405 157 HD2 PHE 19 HD2 PHE 19 7.614 12.907 -3.961 158 HE1 PHE 19 HE1 PHE 19 9.840 15.980 -0.826 159 HE2 PHE 19 HE2 PHE 19 9.981 12.567 -3.380 160 HZ PHE 19 HZ PHE 19 11.095 14.106 -1.813 161 H GLY 20 H GLY 20 4.551 16.689 0.173 162 HA2 GLY 20 2HA GLY 20 4.460 18.925 0.721 163 HA3 GLY 20 1HA GLY 20 5.808 19.110 -0.389 164 H GLY 21 H GLY 21 2.317 18.393 -0.778 165 HA2 GLY 21 2HA GLY 21 0.703 19.736 -1.833 166 HA3 GLY 21 1HA GLY 21 1.969 20.833 -2.349 167 H LYS 22 H LYS 22 3.433 18.282 -3.355 168 HA LYS 22 HA LYS 22 2.234 18.352 -6.026 169 HB2 LYS 22 2HB LYS 22 4.846 17.143 -5.073 170 HB3 LYS 22 1HB LYS 22 4.338 17.284 -6.750 171 HG2 LYS 22 2HG LYS 22 4.818 19.617 -4.897 172 HG3 LYS 22 1HG LYS 22 5.987 18.998 -6.064 173 HD2 LYS 22 2HD LYS 22 3.251 20.105 -6.735 174 HD3 LYS 22 1HD LYS 22 4.777 20.971 -6.915 175 HE2 LYS 22 2HE LYS 22 4.014 18.421 -8.348 176 HE3 LYS 22 1HE LYS 22 4.006 20.038 -9.050 177 HZ1 LYS 22 3HZ LYS 22 6.374 20.171 -8.775 178 HZ2 LYS 22 1HZ LYS 22 6.004 18.746 -9.605 179 HZ3 LYS 22 2HZ LYS 22 6.422 18.686 -7.970 180 H SER 23 H SER 23 0.606 16.891 -6.291 181 HA SER 23 HA SER 23 0.667 14.296 -5.003 182 HB2 SER 23 2HB SER 23 -1.478 13.928 -6.331 183 HB3 SER 23 1HB SER 23 -1.504 15.254 -5.174 184 HG SER 23 HG SER 23 -1.425 15.334 -7.988 185 H ILE 24 H ILE 24 2.365 13.129 -5.833 186 HA ILE 24 HA ILE 24 2.733 12.860 -8.705 187 HB ILE 24 HB ILE 24 4.202 11.484 -6.444 188 HG12 ILE 24 2HG1 ILE 24 4.436 13.920 -6.299 189 HG13 ILE 24 1HG1 ILE 24 5.956 13.186 -6.797 190 HG21 ILE 24 1HG2 ILE 24 4.450 10.286 -8.540 191 HG22 ILE 24 2HG2 ILE 24 5.963 11.093 -8.126 192 HG23 ILE 24 3HG2 ILE 24 4.912 11.775 -9.367 193 HD11 ILE 24 3HD1 ILE 24 5.533 13.839 -9.098 194 HD12 ILE 24 1HD1 ILE 24 5.479 15.237 -8.025 195 HD13 ILE 24 2HD1 ILE 24 3.981 14.532 -8.629 196 HA PRO 25 HA PRO 25 0.240 9.087 -8.718 197 HB2 PRO 25 2HB PRO 25 0.072 8.772 -11.375 198 HB3 PRO 25 1HB PRO 25 -0.784 10.078 -10.549 199 HG2 PRO 25 2HG PRO 25 1.763 10.177 -12.114 200 HG3 PRO 25 1HG PRO 25 0.423 11.335 -12.081 201 HD2 PRO 25 2HD PRO 25 2.791 11.607 -10.658 202 HD3 PRO 25 1HD PRO 25 1.269 12.429 -10.264 203 H LEU 26 H LEU 26 1.381 7.348 -7.975 204 HA LEU 26 HA LEU 26 3.644 6.320 -9.569 205 HB2 LEU 26 2HB LEU 26 2.896 5.776 -6.689 206 HB3 LEU 26 1HB LEU 26 4.296 5.116 -7.515 207 HG LEU 26 HG LEU 26 3.826 8.055 -6.957 208 HD11 LEU 26 1HD1 LEU 26 5.646 7.826 -5.336 209 HD12 LEU 26 2HD1 LEU 26 5.704 6.091 -5.643 210 HD13 LEU 26 3HD1 LEU 26 4.267 6.810 -4.913 211 HD21 LEU 26 3HD2 LEU 26 5.127 7.701 -8.995 212 HD22 LEU 26 1HD2 LEU 26 6.230 6.636 -8.119 213 HD23 LEU 26 2HD2 LEU 26 6.142 8.349 -7.708 214 H SER 27 H SER 27 3.918 3.945 -9.640 215 HA SER 27 HA SER 27 1.540 2.318 -9.149 216 HB2 SER 27 2HB SER 27 1.605 1.303 -11.415 217 HB3 SER 27 1HB SER 27 1.197 3.017 -11.465 218 HG SER 27 HG SER 27 3.892 2.251 -11.731 219 H VAL 28 H VAL 28 2.463 0.938 -7.727 220 HA VAL 28 HA VAL 28 4.840 -0.583 -8.610 221 HB VAL 28 HB VAL 28 5.773 -0.521 -6.329 222 HG11 VAL 28 1HG1 VAL 28 6.604 1.100 -7.934 223 HG12 VAL 28 2HG1 VAL 28 6.535 1.833 -6.333 224 HG13 VAL 28 3HG1 VAL 28 5.297 2.216 -7.527 225 HG21 VAL 28 3HG2 VAL 28 4.893 1.083 -4.671 226 HG22 VAL 28 1HG2 VAL 28 3.726 -0.183 -5.060 227 HG23 VAL 28 2HG2 VAL 28 3.538 1.432 -5.745 228 H SER 29 H SER 29 5.176 -2.591 -7.210 229 HA SER 29 HA SER 29 2.639 -3.979 -6.948 230 HB2 SER 29 2HB SER 29 3.956 -5.993 -6.608 231 HB3 SER 29 1HB SER 29 4.640 -5.092 -7.960 232 HG SER 29 HG SER 29 6.438 -5.179 -6.887 233 HA PRO 30 HA PRO 30 2.195 -3.269 -2.591 234 HB2 PRO 30 2HB PRO 30 0.577 -5.372 -1.936 235 HB3 PRO 30 1HB PRO 30 0.006 -3.929 -2.778 236 HG2 PRO 30 2HG PRO 30 0.768 -6.599 -3.903 237 HG3 PRO 30 1HG PRO 30 -0.618 -5.569 -4.308 238 HD2 PRO 30 2HD PRO 30 1.600 -5.666 -5.856 239 HD3 PRO 30 1HD PRO 30 0.652 -4.176 -5.662 240 H ASP 31 H ASP 31 3.829 -5.973 -3.862 241 HA ASP 31 HA ASP 31 4.454 -7.303 -1.400 242 HB2 ASP 31 2HB ASP 31 5.858 -7.403 -4.081 243 HB3 ASP 31 1HB ASP 31 6.147 -8.506 -2.738 244 H CYS 32 H CYS 32 5.815 -4.607 -3.152 245 HA CYS 32 HA CYS 32 8.364 -4.580 -1.889 246 HB2 CYS 32 2HB CYS 32 6.793 -2.401 -3.276 247 HB3 CYS 32 1HB CYS 32 8.424 -2.169 -2.657 248 HG CYS 32 HG CYS 32 9.652 -3.094 -4.702 249 H THR 33 H THR 33 9.144 -3.066 -0.314 250 HA THR 33 HA THR 33 7.175 -2.461 1.781 251 HB THR 33 HB THR 33 9.046 -2.155 3.285 252 HG1 THR 33 HG1 THR 33 11.187 -2.806 1.924 253 HG21 THR 33 3HG2 THR 33 10.099 -4.367 3.196 254 HG22 THR 33 1HG2 THR 33 9.537 -4.578 1.539 255 HG23 THR 33 2HG2 THR 33 8.372 -4.483 2.860 256 H VAL 34 H VAL 34 7.223 -0.343 2.861 257 HA VAL 34 HA VAL 34 7.339 1.853 1.097 258 HB VAL 34 HB VAL 34 7.078 3.298 3.054 259 HG11 VAL 34 1HG1 VAL 34 5.112 2.176 2.154 260 HG12 VAL 34 2HG1 VAL 34 4.979 2.354 3.901 261 HG13 VAL 34 3HG1 VAL 34 5.399 0.788 3.205 262 HG21 VAL 34 3HG2 VAL 34 7.019 2.351 5.324 263 HG22 VAL 34 1HG2 VAL 34 8.615 2.179 4.587 264 HG23 VAL 34 2HG2 VAL 34 7.531 0.789 4.683 265 H LYS 35 H LYS 35 9.802 0.350 3.050 266 HA LYS 35 HA LYS 35 11.752 2.421 2.917 267 HB2 LYS 35 2HB LYS 35 11.876 0.434 4.441 268 HB3 LYS 35 1HB LYS 35 12.219 -0.572 3.042 269 HG2 LYS 35 2HG LYS 35 14.281 0.692 2.633 270 HG3 LYS 35 1HG LYS 35 13.935 1.707 4.034 271 HD2 LYS 35 2HD LYS 35 15.498 0.074 4.759 272 HD3 LYS 35 1HD LYS 35 13.937 -0.406 5.424 273 HE2 LYS 35 2HE LYS 35 15.000 -2.373 4.588 274 HE3 LYS 35 1HE LYS 35 13.689 -1.974 3.478 275 HZ1 LYS 35 3HZ LYS 35 15.772 -2.598 2.349 276 HZ2 LYS 35 1HZ LYS 35 16.544 -1.266 3.046 277 HZ3 LYS 35 2HZ LYS 35 15.275 -1.034 1.952 278 H ASP 36 H ASP 36 10.961 -0.334 0.832 279 HA ASP 36 HA ASP 36 13.031 0.098 -1.071 280 HB2 ASP 36 2HB ASP 36 11.602 -2.021 -0.655 281 HB3 ASP 36 1HB ASP 36 10.398 -1.252 -1.682 282 H LEU 37 H LEU 37 9.921 1.542 -0.565 283 HA LEU 37 HA LEU 37 9.754 2.826 -3.133 284 HB2 LEU 37 2HB LEU 37 8.319 3.235 -0.516 285 HB3 LEU 37 1HB LEU 37 8.034 4.273 -1.902 286 HG LEU 37 HG LEU 37 7.566 1.285 -1.829 287 HD11 LEU 37 1HD1 LEU 37 5.938 2.514 -0.484 288 HD12 LEU 37 2HD1 LEU 37 5.196 1.857 -1.944 289 HD13 LEU 37 3HD1 LEU 37 5.595 3.573 -1.853 290 HD21 LEU 37 3HD2 LEU 37 6.496 1.661 -4.029 291 HD22 LEU 37 1HD2 LEU 37 8.225 2.011 -4.043 292 HD23 LEU 37 2HD2 LEU 37 7.060 3.334 -3.990 293 H LYS 38 H LYS 38 10.763 3.870 0.126 294 HA LYS 38 HA LYS 38 11.322 6.543 -0.593 295 HB2 LYS 38 2HB LYS 38 12.436 4.884 1.683 296 HB3 LYS 38 1HB LYS 38 12.634 6.627 1.525 297 HG2 LYS 38 2HG LYS 38 10.135 6.822 1.523 298 HG3 LYS 38 1HG LYS 38 10.057 5.107 1.907 299 HD2 LYS 38 2HD LYS 38 11.401 7.230 3.593 300 HD3 LYS 38 1HD LYS 38 9.810 6.537 3.899 301 HE2 LYS 38 2HE LYS 38 11.078 5.272 5.323 302 HE3 LYS 38 1HE LYS 38 11.163 4.268 3.878 303 HZ1 LYS 38 3HZ LYS 38 13.216 6.259 4.674 304 HZ2 LYS 38 1HZ LYS 38 13.322 5.166 3.388 305 HZ3 LYS 38 2HZ LYS 38 13.321 4.598 4.978 306 H SER 39 H SER 39 13.148 3.615 -1.009 307 HA SER 39 HA SER 39 15.628 4.927 -1.647 308 HB2 SER 39 2HB SER 39 16.351 2.708 -2.451 309 HB3 SER 39 1HB SER 39 15.613 2.604 -0.854 310 HG SER 39 HG SER 39 14.969 1.054 -2.637 311 H GLN 40 H GLN 40 12.704 4.289 -3.357 312 HA GLN 40 HA GLN 40 13.888 4.641 -5.995 313 HB2 GLN 40 2HB GLN 40 11.007 4.391 -5.103 314 HB3 GLN 40 1HB GLN 40 11.508 4.558 -6.780 315 HG2 GLN 40 2HG GLN 40 12.750 2.457 -6.621 316 HG3 GLN 40 1HG GLN 40 12.253 2.293 -4.938 317 HE21 GLN 40 1HE2 GLN 40 9.566 3.320 -5.461 318 HE22 GLN 40 2HE2 GLN 40 8.726 2.046 -6.260 319 H LEU 41 H LEU 41 11.634 6.434 -3.880 320 HA LEU 41 HA LEU 41 11.333 8.690 -5.540 321 HB2 LEU 41 2HB LEU 41 11.155 8.511 -2.531 322 HB3 LEU 41 1HB LEU 41 10.564 9.851 -3.496 323 HG LEU 41 HG LEU 41 9.519 7.010 -3.610 324 HD11 LEU 41 1HD1 LEU 41 8.918 8.137 -1.532 325 HD12 LEU 41 2HD1 LEU 41 7.508 7.926 -2.569 326 HD13 LEU 41 3HD1 LEU 41 8.285 9.506 -2.445 327 HD21 LEU 41 3HD2 LEU 41 7.752 7.948 -5.036 328 HD22 LEU 41 1HD2 LEU 41 9.345 8.118 -5.773 329 HD23 LEU 41 2HD2 LEU 41 8.569 9.510 -5.021 330 H GLN 42 H GLN 42 13.924 7.822 -3.366 331 HA GLN 42 HA GLN 42 14.992 10.344 -2.814 332 HB2 GLN 42 2HB GLN 42 15.707 8.398 -1.581 333 HB3 GLN 42 1HB GLN 42 16.383 7.670 -3.031 334 HG2 GLN 42 2HG GLN 42 18.029 9.518 -3.148 335 HG3 GLN 42 1HG GLN 42 17.381 10.150 -1.634 336 HE21 GLN 42 1HE2 GLN 42 19.360 9.882 -0.579 337 HE22 GLN 42 2HE2 GLN 42 19.950 8.324 -0.126 338 HA PRO 43 HA PRO 43 18.045 9.993 -6.585 339 HB2 PRO 43 2HB PRO 43 17.402 8.212 -8.570 340 HB3 PRO 43 1HB PRO 43 18.504 7.843 -7.237 341 HG2 PRO 43 2HG PRO 43 15.599 7.172 -7.532 342 HG3 PRO 43 1HG PRO 43 16.928 6.147 -6.957 343 HD2 PRO 43 2HD PRO 43 15.227 7.329 -5.248 344 HD3 PRO 43 1HD PRO 43 16.947 7.132 -4.856 345 H ILE 44 H ILE 44 14.629 9.943 -6.696 346 HA ILE 44 HA ILE 44 14.412 11.220 -9.304 347 HB ILE 44 HB ILE 44 12.276 10.679 -7.223 348 HG12 ILE 44 2HG1 ILE 44 12.966 9.165 -9.761 349 HG13 ILE 44 1HG1 ILE 44 13.294 8.617 -8.122 350 HG21 ILE 44 1HG2 ILE 44 11.668 12.521 -8.712 351 HG22 ILE 44 2HG2 ILE 44 10.669 11.101 -9.019 352 HG23 ILE 44 3HG2 ILE 44 11.990 11.505 -10.118 353 HD11 ILE 44 3HD1 ILE 44 10.886 8.545 -7.672 354 HD12 ILE 44 1HD1 ILE 44 11.345 7.508 -9.024 355 HD13 ILE 44 2HD1 ILE 44 10.571 9.063 -9.330 356 H THR 45 H THR 45 14.125 12.126 -5.879 357 HA THR 45 HA THR 45 13.754 14.952 -6.697 358 HB THR 45 HB THR 45 12.525 15.289 -4.566 359 HG1 THR 45 HG1 THR 45 12.268 12.489 -4.299 360 HG21 THR 45 3HG2 THR 45 11.273 14.847 -6.632 361 HG22 THR 45 1HG2 THR 45 10.456 14.146 -5.232 362 HG23 THR 45 2HG2 THR 45 11.377 13.112 -6.327 363 H ASN 46 H ASN 46 16.004 12.949 -5.386 364 HA ASN 46 HA ASN 46 17.940 13.241 -4.245 365 HB2 ASN 46 2HB ASN 46 17.276 16.185 -4.489 366 HB3 ASN 46 1HB ASN 46 18.824 15.545 -3.946 367 HD21 ASN 46 1HD2 ASN 46 18.144 17.209 -6.262 368 HD22 ASN 46 2HD2 ASN 46 18.738 16.350 -7.640 369 H VAL 47 H VAL 47 15.092 13.486 -2.876 370 HA VAL 47 HA VAL 47 15.827 14.654 -0.319 371 HB VAL 47 HB VAL 47 13.301 13.195 -1.140 372 HG11 VAL 47 1HG1 VAL 47 13.648 13.080 1.279 373 HG12 VAL 47 2HG1 VAL 47 12.305 14.153 0.890 374 HG13 VAL 47 3HG1 VAL 47 13.869 14.830 1.342 375 HG21 VAL 47 3HG2 VAL 47 13.619 15.263 -2.389 376 HG22 VAL 47 1HG2 VAL 47 13.879 16.151 -0.885 377 HG23 VAL 47 2HG2 VAL 47 12.300 15.442 -1.230 378 H LEU 48 H LEU 48 16.408 13.574 1.497 379 HA LEU 48 HA LEU 48 17.478 10.962 1.247 380 HB2 LEU 48 2HB LEU 48 16.993 12.625 3.726 381 HB3 LEU 48 1HB LEU 48 17.976 11.174 3.662 382 HG LEU 48 HG LEU 48 18.560 13.757 2.197 383 HD11 LEU 48 1HD1 LEU 48 19.924 12.501 4.578 384 HD12 LEU 48 2HD1 LEU 48 18.909 13.943 4.606 385 HD13 LEU 48 3HD1 LEU 48 20.442 13.962 3.737 386 HD21 LEU 48 3HD2 LEU 48 20.698 12.702 1.619 387 HD22 LEU 48 1HD2 LEU 48 19.335 11.818 0.935 388 HD23 LEU 48 2HD2 LEU 48 20.159 11.198 2.365 389 HA PRO 49 HA PRO 49 14.053 8.323 2.256 390 HB2 PRO 49 2HB PRO 49 15.398 6.337 3.624 391 HB3 PRO 49 1HB PRO 49 15.317 6.469 1.865 392 HG2 PRO 49 2HG PRO 49 17.485 7.346 3.735 393 HG3 PRO 49 1HG PRO 49 17.620 6.539 2.159 394 HD2 PRO 49 2HD PRO 49 18.045 9.176 2.424 395 HD3 PRO 49 1HD PRO 49 17.250 8.510 0.981 396 H ARG 50 H ARG 50 16.104 9.617 4.780 397 HA ARG 50 HA ARG 50 14.220 9.017 6.900 398 HB2 ARG 50 2HB ARG 50 16.550 9.260 7.503 399 HB3 ARG 50 1HB ARG 50 16.614 10.867 6.790 400 HG2 ARG 50 2HG ARG 50 15.052 11.688 8.485 401 HG3 ARG 50 1HG ARG 50 14.978 10.077 9.199 402 HD2 ARG 50 2HD ARG 50 17.281 10.175 9.841 403 HD3 ARG 50 1HD ARG 50 17.532 11.657 8.914 404 HE ARG 50 HE ARG 50 15.565 12.279 10.709 405 HH11 ARG 50 1HH1 ARG 50 18.766 11.048 10.987 406 HH12 ARG 50 2HH1 ARG 50 19.049 11.846 12.494 407 HH21 ARG 50 1HH2 ARG 50 15.939 13.282 12.632 408 HH22 ARG 50 2HH2 ARG 50 17.469 13.087 13.418 409 H GLY 51 H GLY 51 14.986 11.779 4.823 410 HA2 GLY 51 2HA GLY 51 13.185 13.638 5.979 411 HA3 GLY 51 1HA GLY 51 13.819 13.701 4.339 412 H GLN 52 H GLN 52 12.797 11.144 3.531 413 HA GLN 52 HA GLN 52 10.127 11.839 2.796 414 HB2 GLN 52 2HB GLN 52 11.538 9.174 2.513 415 HB3 GLN 52 1HB GLN 52 10.081 9.671 1.665 416 HG2 GLN 52 2HG GLN 52 11.340 11.410 0.502 417 HG3 GLN 52 1HG GLN 52 12.803 10.934 1.367 418 HE21 GLN 52 1HE2 GLN 52 13.927 10.354 -0.476 419 HE22 GLN 52 2HE2 GLN 52 13.524 8.958 -1.407 420 H LYS 53 H LYS 53 8.804 11.990 4.592 421 HA LYS 53 HA LYS 53 8.534 9.619 6.312 422 HB2 LYS 53 2HB LYS 53 7.562 12.459 6.676 423 HB3 LYS 53 1HB LYS 53 7.248 11.146 7.807 424 HG2 LYS 53 2HG LYS 53 9.552 10.927 8.334 425 HG3 LYS 53 1HG LYS 53 10.025 11.993 7.010 426 HD2 LYS 53 2HD LYS 53 8.883 13.865 8.149 427 HD3 LYS 53 1HD LYS 53 8.479 12.785 9.485 428 HE2 LYS 53 2HE LYS 53 10.469 14.178 9.951 429 HE3 LYS 53 1HE LYS 53 10.823 12.453 9.983 430 HZ1 LYS 53 3HZ LYS 53 11.302 14.155 7.605 431 HZ2 LYS 53 1HZ LYS 53 11.865 12.584 7.880 432 HZ3 LYS 53 2HZ LYS 53 12.479 13.876 8.788 433 H LEU 54 H LEU 54 7.289 8.264 5.065 434 HA LEU 54 HA LEU 54 4.856 9.079 3.785 435 HB2 LEU 54 2HB LEU 54 6.014 6.358 4.407 436 HB3 LEU 54 1HB LEU 54 4.513 6.584 3.529 437 HG LEU 54 HG LEU 54 7.200 7.636 2.613 438 HD11 LEU 54 1HD1 LEU 54 7.122 5.845 0.939 439 HD12 LEU 54 2HD1 LEU 54 5.672 5.194 1.706 440 HD13 LEU 54 3HD1 LEU 54 7.205 5.208 2.582 441 HD21 LEU 54 3HD2 LEU 54 4.544 7.460 1.185 442 HD22 LEU 54 1HD2 LEU 54 6.064 8.022 0.487 443 HD23 LEU 54 2HD2 LEU 54 5.301 8.936 1.788 444 H ILE 55 H ILE 55 3.244 9.799 5.053 445 HA ILE 55 HA ILE 55 2.457 8.182 7.399 446 HB ILE 55 HB ILE 55 1.992 11.136 6.907 447 HG12 ILE 55 2HG1 ILE 55 3.817 9.705 8.869 448 HG13 ILE 55 1HG1 ILE 55 4.339 10.584 7.436 449 HG21 ILE 55 1HG2 ILE 55 1.296 9.442 9.316 450 HG22 ILE 55 2HG2 ILE 55 0.148 10.133 8.166 451 HG23 ILE 55 3HG2 ILE 55 1.109 11.193 9.196 452 HD11 ILE 55 3HD1 ILE 55 2.993 11.763 9.858 453 HD12 ILE 55 1HD1 ILE 55 3.470 12.657 8.414 454 HD13 ILE 55 2HD1 ILE 55 4.698 11.896 9.426 455 H PHE 56 H PHE 56 0.616 7.087 7.199 456 HA PHE 56 HA PHE 56 -1.524 8.124 5.449 457 HB2 PHE 56 2HB PHE 56 -0.312 6.301 4.311 458 HB3 PHE 56 1HB PHE 56 -0.628 5.234 5.672 459 HD1 PHE 56 HD1 PHE 56 -2.605 7.478 3.410 460 HD2 PHE 56 HD2 PHE 56 -2.291 3.686 5.331 461 HE1 PHE 56 HE1 PHE 56 -4.692 6.756 2.326 462 HE2 PHE 56 HE2 PHE 56 -4.379 2.967 4.251 463 HZ PHE 56 HZ PHE 56 -5.581 4.499 2.748 464 H LYS 57 H LYS 57 -3.479 8.230 6.392 465 HA LYS 57 HA LYS 57 -5.162 8.091 7.912 466 HB2 LYS 57 2HB LYS 57 -3.890 5.409 8.501 467 HB3 LYS 57 1HB LYS 57 -5.416 5.939 9.189 468 HG2 LYS 57 2HG LYS 57 -4.851 5.572 6.247 469 HG3 LYS 57 1HG LYS 57 -5.740 4.449 7.278 470 HD2 LYS 57 2HD LYS 57 -7.420 6.205 7.711 471 HD3 LYS 57 1HD LYS 57 -6.544 7.295 6.636 472 HE2 LYS 57 2HE LYS 57 -8.423 6.308 5.461 473 HE3 LYS 57 1HE LYS 57 -6.909 5.720 4.775 474 HZ1 LYS 57 3HZ LYS 57 -8.531 3.948 5.060 475 HZ2 LYS 57 1HZ LYS 57 -8.596 4.242 6.721 476 HZ3 LYS 57 2HZ LYS 57 -7.168 3.674 6.018 477 H GLY 58 H GLY 58 -2.520 9.254 8.650 478 HA2 GLY 58 2HA GLY 58 -1.954 10.531 10.525 479 HA3 GLY 58 1HA GLY 58 -3.103 9.615 11.479 480 H LYS 59 H LYS 59 -1.100 7.519 9.779 481 HA LYS 59 HA LYS 59 0.842 7.352 12.000 482 HB2 LYS 59 2HB LYS 59 -0.781 5.567 12.298 483 HB3 LYS 59 1HB LYS 59 -0.582 5.058 10.625 484 HG2 LYS 59 2HG LYS 59 1.797 4.520 11.132 485 HG3 LYS 59 1HG LYS 59 1.477 4.895 12.825 486 HD2 LYS 59 2HD LYS 59 1.376 2.486 12.426 487 HD3 LYS 59 1HD LYS 59 -0.203 3.111 12.907 488 HE2 LYS 59 2HE LYS 59 -0.984 3.050 10.628 489 HE3 LYS 59 1HE LYS 59 0.624 2.622 10.042 490 HZ1 LYS 59 3HZ LYS 59 -0.926 0.917 11.909 491 HZ2 LYS 59 1HZ LYS 59 0.475 0.505 11.060 492 HZ3 LYS 59 2HZ LYS 59 -0.978 0.733 10.231 493 H VAL 60 H VAL 60 2.951 7.138 11.409 494 HA VAL 60 HA VAL 60 3.690 7.149 8.634 495 HB VAL 60 HB VAL 60 5.039 8.363 10.290 496 HG11 VAL 60 1HG1 VAL 60 4.806 6.863 12.193 497 HG12 VAL 60 2HG1 VAL 60 6.508 7.172 11.854 498 HG13 VAL 60 3HG1 VAL 60 5.777 5.639 11.372 499 HG21 VAL 60 3HG2 VAL 60 6.090 7.642 8.196 500 HG22 VAL 60 1HG2 VAL 60 6.581 6.127 8.958 501 HG23 VAL 60 2HG2 VAL 60 7.253 7.658 9.519 502 H LEU 61 H LEU 61 4.320 5.458 7.365 503 HA LEU 61 HA LEU 61 3.646 2.825 8.268 504 HB2 LEU 61 2HB LEU 61 4.838 3.800 5.672 505 HB3 LEU 61 1HB LEU 61 4.428 2.125 5.974 506 HG LEU 61 HG LEU 61 2.653 3.049 4.695 507 HD11 LEU 61 1HD1 LEU 61 0.721 2.807 6.164 508 HD12 LEU 61 2HD1 LEU 61 1.769 2.937 7.579 509 HD13 LEU 61 3HD1 LEU 61 1.934 1.567 6.480 510 HD21 LEU 61 3HD2 LEU 61 1.408 5.047 5.325 511 HD22 LEU 61 1HD2 LEU 61 3.114 5.419 5.083 512 HD23 LEU 61 2HD2 LEU 61 2.462 5.283 6.717 513 H VAL 62 H VAL 62 4.911 1.132 8.814 514 HA VAL 62 HA VAL 62 7.584 1.590 9.689 515 HB VAL 62 HB VAL 62 6.166 -1.065 9.343 516 HG11 VAL 62 1HG1 VAL 62 7.712 -1.855 11.090 517 HG12 VAL 62 2HG1 VAL 62 8.526 -0.289 11.069 518 HG13 VAL 62 3HG1 VAL 62 8.566 -1.326 9.642 519 HG21 VAL 62 3HG2 VAL 62 5.566 -0.836 11.733 520 HG22 VAL 62 1HG2 VAL 62 4.821 0.405 10.725 521 HG23 VAL 62 2HG2 VAL 62 6.221 0.803 11.720 522 H GLU 63 H GLU 63 9.511 1.190 8.692 523 HA GLU 63 HA GLU 63 9.623 1.032 5.902 524 HB2 GLU 63 2HB GLU 63 11.816 0.480 7.916 525 HB3 GLU 63 1HB GLU 63 12.071 0.746 6.197 526 HG2 GLU 63 2HG GLU 63 11.049 3.001 6.448 527 HG3 GLU 63 1HG GLU 63 10.975 2.726 8.188 528 H THR 64 H THR 64 9.695 -1.546 8.268 529 HA THR 64 HA THR 64 10.562 -3.572 6.378 530 HB THR 64 HB THR 64 10.262 -5.167 8.185 531 HG1 THR 64 HG1 THR 64 8.427 -4.546 9.232 532 HG21 THR 64 3HG2 THR 64 11.477 -2.583 9.196 533 HG22 THR 64 1HG2 THR 64 12.306 -3.830 8.263 534 HG23 THR 64 2HG2 THR 64 11.744 -4.178 9.897 535 H SER 65 H SER 65 7.706 -1.977 6.727 536 HA SER 65 HA SER 65 5.962 -4.317 6.400 537 HB2 SER 65 2HB SER 65 5.281 -2.631 8.064 538 HB3 SER 65 1HB SER 65 5.243 -1.397 6.806 539 HG SER 65 HG SER 65 3.366 -2.115 6.155 540 H THR 66 H THR 66 5.020 -4.846 4.514 541 HA THR 66 HA THR 66 5.671 -3.392 2.097 542 HB THR 66 HB THR 66 4.595 -5.157 0.886 543 HG1 THR 66 HG1 THR 66 3.457 -6.839 2.207 544 HG21 THR 66 3HG2 THR 66 5.965 -6.309 3.325 545 HG22 THR 66 1HG2 THR 66 6.747 -5.791 1.830 546 HG23 THR 66 2HG2 THR 66 5.662 -7.182 1.823 547 H LEU 67 H LEU 67 3.884 -2.861 0.477 548 HA LEU 67 HA LEU 67 1.968 -1.124 1.619 549 HB2 LEU 67 2HB LEU 67 2.083 -2.332 -1.144 550 HB3 LEU 67 1HB LEU 67 0.902 -1.134 -0.670 551 HG LEU 67 HG LEU 67 2.574 0.030 -1.867 552 HD11 LEU 67 1HD1 LEU 67 3.118 0.442 1.072 553 HD12 LEU 67 2HD1 LEU 67 1.844 1.207 0.121 554 HD13 LEU 67 3HD1 LEU 67 3.536 1.567 -0.224 555 HD21 LEU 67 3HD2 LEU 67 4.647 -1.309 -0.131 556 HD22 LEU 67 1HD2 LEU 67 4.966 -0.075 -1.353 557 HD23 LEU 67 2HD2 LEU 67 4.330 -1.650 -1.833 558 H LYS 68 H LYS 68 1.735 -4.470 0.480 559 HA LYS 68 HA LYS 68 -1.043 -4.813 0.808 560 HB2 LYS 68 2HB LYS 68 0.377 -6.398 -0.426 561 HB3 LYS 68 1HB LYS 68 1.166 -6.869 1.074 562 HG2 LYS 68 2HG LYS 68 -0.909 -7.804 1.916 563 HG3 LYS 68 1HG LYS 68 -1.771 -7.246 0.481 564 HD2 LYS 68 2HD LYS 68 -0.391 -8.713 -0.918 565 HD3 LYS 68 1HD LYS 68 0.486 -9.259 0.513 566 HE2 LYS 68 2HE LYS 68 -1.189 -10.900 -0.114 567 HE3 LYS 68 1HE LYS 68 -1.613 -10.167 1.430 568 HZ1 LYS 68 3HZ LYS 68 -3.260 -8.833 0.373 569 HZ2 LYS 68 1HZ LYS 68 -3.502 -10.429 -0.136 570 HZ3 LYS 68 2HZ LYS 68 -2.762 -9.314 -1.169 571 H GLN 69 H GLN 69 1.644 -5.373 3.088 572 HA GLN 69 HA GLN 69 0.045 -6.222 5.270 573 HB2 GLN 69 2HB GLN 69 2.759 -4.873 5.232 574 HB3 GLN 69 1HB GLN 69 2.020 -5.565 6.670 575 HG2 GLN 69 2HG GLN 69 2.049 -7.774 5.640 576 HG3 GLN 69 1HG GLN 69 2.752 -7.092 4.174 577 HE21 GLN 69 1HE2 GLN 69 3.799 -9.145 5.972 578 HE22 GLN 69 2HE2 GLN 69 5.330 -8.565 6.516 579 H SER 70 H SER 70 1.014 -3.043 4.121 580 HA SER 70 HA SER 70 -0.031 -1.636 6.421 581 HB2 SER 70 2HB SER 70 0.886 -0.542 3.746 582 HB3 SER 70 1HB SER 70 0.636 0.389 5.221 583 HG SER 70 HG SER 70 2.768 -1.157 4.455 584 H ASP 71 H ASP 71 -1.615 -3.161 4.016 585 HA ASP 71 HA ASP 71 -3.727 -3.124 3.194 586 HB2 ASP 71 2HB ASP 71 -4.150 -0.989 5.298 587 HB3 ASP 71 1HB ASP 71 -5.442 -1.741 4.365 588 H VAL 72 H VAL 72 -1.591 -1.130 2.273 589 HA VAL 72 HA VAL 72 -2.986 1.130 1.229 590 HB VAL 72 HB VAL 72 -0.340 -0.085 0.382 591 HG11 VAL 72 1HG1 VAL 72 0.147 2.073 -0.644 592 HG12 VAL 72 2HG1 VAL 72 -1.457 2.659 -0.206 593 HG13 VAL 72 3HG1 VAL 72 -1.285 1.346 -1.371 594 HG21 VAL 72 3HG2 VAL 72 -0.360 0.606 2.726 595 HG22 VAL 72 1HG2 VAL 72 -0.937 2.209 2.265 596 HG23 VAL 72 2HG2 VAL 72 0.668 1.669 1.767 597 H GLY 73 H GLY 73 -4.519 0.993 -0.308 598 HA2 GLY 73 2HA GLY 73 -4.628 -1.345 -2.061 599 HA3 GLY 73 1HA GLY 73 -5.908 -0.172 -1.809 600 H SER 74 H SER 74 -6.104 -0.356 -4.166 601 HA SER 74 HA SER 74 -3.943 0.559 -5.857 602 HB2 SER 74 2HB SER 74 -5.588 0.186 -7.698 603 HB3 SER 74 1HB SER 74 -5.393 -1.219 -6.654 604 HG SER 74 HG SER 74 -7.543 0.623 -6.759 605 H GLY 75 H GLY 75 -5.178 2.475 -3.909 606 HA2 GLY 75 2HA GLY 75 -5.130 4.795 -5.536 607 HA3 GLY 75 1HA GLY 75 -6.794 4.398 -5.128 608 H ALA 76 H ALA 76 -3.930 3.936 -3.104 609 HA ALA 76 HA ALA 76 -5.236 5.315 -0.916 610 HB1 ALA 76 3HB ALA 76 -3.988 3.219 -0.542 611 HB2 ALA 76 1HB ALA 76 -3.384 4.551 0.444 612 HB3 ALA 76 2HB ALA 76 -2.500 4.045 -0.995 613 H LYS 77 H LYS 77 -4.967 7.386 -0.404 614 HA LYS 77 HA LYS 77 -2.988 8.980 -1.838 615 HB2 LYS 77 2HB LYS 77 -5.202 9.897 0.016 616 HB3 LYS 77 1HB LYS 77 -4.275 10.899 -1.097 617 HG2 LYS 77 2HG LYS 77 -5.235 9.711 -2.998 618 HG3 LYS 77 1HG LYS 77 -6.121 8.651 -1.904 619 HD2 LYS 77 2HD LYS 77 -7.630 10.324 -2.721 620 HD3 LYS 77 1HD LYS 77 -7.312 10.662 -1.019 621 HE2 LYS 77 2HE LYS 77 -5.793 12.435 -1.597 622 HE3 LYS 77 1HE LYS 77 -5.884 12.018 -3.309 623 HZ1 LYS 77 3HZ LYS 77 -8.132 13.031 -1.656 624 HZ2 LYS 77 1HZ LYS 77 -8.218 12.637 -3.297 625 HZ3 LYS 77 2HZ LYS 77 -7.257 13.930 -2.786 626 H LEU 78 H LEU 78 -1.033 8.715 -0.873 627 HA LEU 78 HA LEU 78 -0.741 8.619 2.012 628 HB2 LEU 78 2HB LEU 78 1.401 8.657 -0.121 629 HB3 LEU 78 1HB LEU 78 1.612 8.206 1.561 630 HG LEU 78 HG LEU 78 -0.028 6.683 -0.477 631 HD11 LEU 78 1HD1 LEU 78 2.640 6.021 0.775 632 HD12 LEU 78 2HD1 LEU 78 2.375 6.525 -0.896 633 HD13 LEU 78 3HD1 LEU 78 1.724 4.990 -0.324 634 HD21 LEU 78 3HD2 LEU 78 0.634 6.008 2.396 635 HD22 LEU 78 1HD2 LEU 78 -0.203 4.957 1.251 636 HD23 LEU 78 2HD2 LEU 78 -0.952 6.464 1.773 637 H MET 79 H MET 79 0.326 10.131 3.308 638 HA MET 79 HA MET 79 0.807 12.776 2.096 639 HB2 MET 79 2HB MET 79 -0.788 12.841 3.924 640 HB3 MET 79 1HB MET 79 0.319 11.971 4.978 641 HG2 MET 79 2HG MET 79 1.862 13.859 4.941 642 HG3 MET 79 1HG MET 79 0.781 14.734 3.858 643 HE1 MET 79 3HE MET 79 0.489 16.642 7.303 644 HE2 MET 79 1HE MET 79 0.890 16.798 5.593 645 HE3 MET 79 2HE MET 79 1.927 15.852 6.658 646 H LEU 80 H LEU 80 2.897 13.068 1.540 647 HA LEU 80 HA LEU 80 4.992 11.740 3.098 648 HB2 LEU 80 2HB LEU 80 4.963 11.577 0.606 649 HB3 LEU 80 1HB LEU 80 5.246 13.307 0.522 650 HG LEU 80 HG LEU 80 7.427 13.035 1.597 651 HD11 LEU 80 1HD1 LEU 80 6.745 10.096 1.642 652 HD12 LEU 80 2HD1 LEU 80 6.963 11.149 3.040 653 HD13 LEU 80 3HD1 LEU 80 8.331 10.774 1.997 654 HD21 LEU 80 3HD2 LEU 80 7.322 12.870 -0.834 655 HD22 LEU 80 1HD2 LEU 80 7.028 11.135 -0.720 656 HD23 LEU 80 2HD2 LEU 80 8.571 11.806 -0.192 657 H MET 81 H MET 81 5.376 12.915 4.920 658 HA MET 81 HA MET 81 5.468 15.797 4.896 659 HB2 MET 81 2HB MET 81 4.715 14.553 6.890 660 HB3 MET 81 1HB MET 81 6.318 13.855 7.062 661 HG2 MET 81 2HG MET 81 7.255 16.070 7.455 662 HG3 MET 81 1HG MET 81 5.658 16.789 7.258 663 HE1 MET 81 3HE MET 81 3.820 14.602 8.722 664 HE2 MET 81 1HE MET 81 3.620 16.341 8.942 665 HE3 MET 81 2HE MET 81 3.737 15.282 10.347 666 H ALA 82 H ALA 82 7.057 16.277 3.360 667 HA ALA 82 HA ALA 82 9.822 16.018 4.321 668 HB1 ALA 82 3HB ALA 82 8.958 15.352 1.501 669 HB2 ALA 82 1HB ALA 82 9.502 14.196 2.718 670 HB3 ALA 82 2HB ALA 82 10.623 15.405 2.088 671 H SER 83 H SER 83 11.190 17.702 3.745 672 HA SER 83 HA SER 83 9.828 20.123 2.793 673 HB2 SER 83 2HB SER 83 11.786 21.331 3.720 674 HB3 SER 83 1HB SER 83 10.993 20.320 4.928 675 HG SER 83 HG SER 83 13.451 19.913 3.601 676 H GLN 84 H GLN 84 10.608 21.411 1.124 677 HA GLN 84 HA GLN 84 11.670 20.103 -1.110 678 HB2 GLN 84 2HB GLN 84 10.241 22.108 -1.220 679 HB3 GLN 84 1HB GLN 84 11.551 23.079 -0.563 680 HG2 GLN 84 2HG GLN 84 12.912 22.574 -2.538 681 HG3 GLN 84 1HG GLN 84 11.590 21.612 -3.198 682 HE21 GLN 84 1HE2 GLN 84 9.761 22.670 -3.998 683 HE22 GLN 84 2HE2 GLN 84 9.755 24.365 -4.336 684 H GLY 85 H GLY 85 13.330 21.757 1.481 685 HA2 GLY 85 2HA GLY 85 15.881 20.910 0.304 686 HA3 GLY 85 1HA GLY 85 15.693 22.622 0.643 Start of MODEL 3 1 H1 MET 1 1H MET 1 -24.217 1.879 -3.023 2 H2 MET 1 2H MET 1 -22.998 1.168 -3.954 3 H3 MET 1 3H MET 1 -23.270 2.832 -4.057 4 HA MET 1 HA MET 1 -21.309 2.411 -2.750 5 HB2 MET 1 2HB MET 1 -23.626 3.275 -0.994 6 HB3 MET 1 1HB MET 1 -21.929 3.647 -0.726 7 HG2 MET 1 2HG MET 1 -23.613 4.602 -3.035 8 HG3 MET 1 1HG MET 1 -23.121 5.556 -1.636 9 HE1 MET 1 3HE MET 1 -22.069 7.479 -3.110 10 HE2 MET 1 1HE MET 1 -22.662 6.616 -4.531 11 HE3 MET 1 2HE MET 1 -20.989 7.173 -4.472 12 H GLY 2 H GLY 2 -20.340 1.506 -0.813 13 HA2 GLY 2 2HA GLY 2 -20.059 -0.023 0.890 14 HA3 GLY 2 1HA GLY 2 -21.797 -0.260 0.908 15 H HIS 3 H HIS 3 -19.642 -0.809 -1.858 16 HA HIS 3 HA HIS 3 -19.855 -3.717 -1.471 17 HB2 HIS 3 2HB HIS 3 -20.676 -2.233 -3.974 18 HB3 HIS 3 1HB HIS 3 -20.309 -3.954 -3.965 19 HD1 HIS 3 HD1 HIS 3 -21.905 -5.470 -2.459 20 HD2 HIS 3 HD2 HIS 3 -23.229 -1.593 -3.173 21 HE1 HIS 3 HE1 HIS 3 -24.340 -5.470 -1.863 22 HE2 HIS 3 HE2 HIS 3 -25.144 -3.152 -2.403 23 H HIS 4 H HIS 4 -17.818 -4.368 -1.321 24 HA HIS 4 HA HIS 4 -15.791 -3.213 -3.137 25 HB2 HIS 4 2HB HIS 4 -15.549 -4.234 -0.306 26 HB3 HIS 4 1HB HIS 4 -14.150 -3.972 -1.336 27 HD1 HIS 4 HD1 HIS 4 -16.365 -2.246 0.978 28 HD2 HIS 4 HD2 HIS 4 -13.882 -1.177 -2.179 29 HE1 HIS 4 HE1 HIS 4 -15.978 0.219 1.231 30 HE2 HIS 4 HE2 HIS 4 -14.317 0.794 -0.566 31 H HIS 5 H HIS 5 -13.816 -4.764 -3.329 32 HA HIS 5 HA HIS 5 -14.756 -7.534 -3.765 33 HB2 HIS 5 2HB HIS 5 -12.843 -5.998 -5.552 34 HB3 HIS 5 1HB HIS 5 -13.402 -7.649 -5.799 35 HD1 HIS 5 HD1 HIS 5 -16.146 -7.805 -6.133 36 HD2 HIS 5 HD2 HIS 5 -14.324 -4.145 -6.871 37 HE1 HIS 5 HE1 HIS 5 -17.781 -6.512 -7.525 38 HE2 HIS 5 HE2 HIS 5 -16.605 -4.360 -8.076 39 H HIS 6 H HIS 6 -13.655 -8.891 -2.470 40 HA HIS 6 HA HIS 6 -11.160 -7.992 -1.251 41 HB2 HIS 6 2HB HIS 6 -12.872 -10.418 -0.657 42 HB3 HIS 6 1HB HIS 6 -11.479 -9.894 0.288 43 HD1 HIS 6 HD1 HIS 6 -11.815 -7.898 1.884 44 HD2 HIS 6 HD2 HIS 6 -15.202 -8.856 -0.327 45 HE1 HIS 6 HE1 HIS 6 -13.692 -6.609 2.931 46 HE2 HIS 6 HE2 HIS 6 -15.744 -7.287 1.652 47 H HIS 7 H HIS 7 -11.467 -9.213 -4.104 48 HA HIS 7 HA HIS 7 -9.890 -11.586 -4.089 49 HB2 HIS 7 2HB HIS 7 -10.502 -9.593 -6.282 50 HB3 HIS 7 1HB HIS 7 -9.558 -11.057 -6.544 51 HD1 HIS 7 HD1 HIS 7 -10.843 -13.347 -6.199 52 HD2 HIS 7 HD2 HIS 7 -13.244 -9.957 -6.276 53 HE1 HIS 7 HE1 HIS 7 -13.181 -14.188 -6.554 54 HE2 HIS 7 HE2 HIS 7 -14.571 -12.110 -6.820 55 H HIS 8 H HIS 8 -7.669 -11.855 -4.607 56 HA HIS 8 HA HIS 8 -5.953 -9.500 -4.462 57 HB2 HIS 8 2HB HIS 8 -4.730 -10.455 -2.457 58 HB3 HIS 8 1HB HIS 8 -6.332 -9.803 -2.134 59 HD1 HIS 8 HD1 HIS 8 -8.225 -11.519 -1.559 60 HD2 HIS 8 HD2 HIS 8 -4.446 -13.196 -2.006 61 HE1 HIS 8 HE1 HIS 8 -8.398 -13.838 -0.624 62 HE2 HIS 8 HE2 HIS 8 -6.158 -14.886 -1.067 63 H SER 9 H SER 9 -4.274 -9.763 -5.757 64 HA SER 9 HA SER 9 -2.812 -12.275 -5.879 65 HB2 SER 9 2HB SER 9 -4.085 -11.062 -8.354 66 HB3 SER 9 1HB SER 9 -2.847 -12.317 -8.392 67 HG SER 9 HG SER 9 -4.321 -13.747 -7.959 68 H HIS 10 H HIS 10 -0.800 -12.009 -7.302 69 HA HIS 10 HA HIS 10 0.521 -9.578 -6.549 70 HB2 HIS 10 2HB HIS 10 1.762 -11.662 -6.541 71 HB3 HIS 10 1HB HIS 10 1.451 -11.900 -8.257 72 HD1 HIS 10 HD1 HIS 10 3.310 -9.491 -5.973 73 HD2 HIS 10 HD2 HIS 10 3.372 -10.862 -9.894 74 HE1 HIS 10 HE1 HIS 10 5.342 -8.464 -7.013 75 HE2 HIS 10 HE2 HIS 10 5.244 -9.144 -9.429 76 H SER 11 H SER 11 -0.244 -7.803 -7.581 77 HA SER 11 HA SER 11 0.441 -7.517 -10.409 78 HB2 SER 11 2HB SER 11 -1.976 -8.164 -10.361 79 HB3 SER 11 1HB SER 11 -2.306 -6.751 -9.360 80 HG SER 11 HG SER 11 -2.597 -5.837 -11.244 81 H THR 12 H THR 12 -0.393 -4.996 -10.921 82 HA THR 12 HA THR 12 1.213 -3.401 -9.062 83 HB THR 12 HB THR 12 1.056 -1.614 -10.798 84 HG1 THR 12 HG1 THR 12 0.165 -2.272 -12.859 85 HG21 THR 12 3HG2 THR 12 2.939 -3.174 -10.841 86 HG22 THR 12 1HG2 THR 12 2.459 -2.739 -12.482 87 HG23 THR 12 2HG2 THR 12 2.000 -4.306 -11.815 88 H ILE 13 H ILE 13 0.498 -1.428 -8.162 89 HA ILE 13 HA ILE 13 -2.406 -0.927 -8.168 90 HB ILE 13 HB ILE 13 -2.273 -0.348 -5.744 91 HG12 ILE 13 2HG1 ILE 13 0.450 -1.685 -5.892 92 HG13 ILE 13 1HG1 ILE 13 0.168 0.029 -5.609 93 HG21 ILE 13 1HG2 ILE 13 -2.314 -2.657 -4.931 94 HG22 ILE 13 2HG2 ILE 13 -1.550 -3.201 -6.424 95 HG23 ILE 13 3HG2 ILE 13 -3.168 -2.500 -6.466 96 HD11 ILE 13 3HD1 ILE 13 -0.970 -0.514 -3.512 97 HD12 ILE 13 1HD1 ILE 13 0.686 -1.119 -3.545 98 HD13 ILE 13 2HD1 ILE 13 -0.662 -2.228 -3.797 99 H LYS 14 H LYS 14 -3.016 1.277 -7.651 100 HA LYS 14 HA LYS 14 -1.017 3.192 -8.605 101 HB2 LYS 14 2HB LYS 14 -4.005 3.535 -8.275 102 HB3 LYS 14 1HB LYS 14 -2.910 4.684 -9.035 103 HG2 LYS 14 2HG LYS 14 -2.389 2.973 -10.758 104 HG3 LYS 14 1HG LYS 14 -3.596 1.917 -10.022 105 HD2 LYS 14 2HD LYS 14 -4.597 3.046 -11.911 106 HD3 LYS 14 1HD LYS 14 -5.315 3.677 -10.428 107 HE2 LYS 14 2HE LYS 14 -3.754 5.612 -10.558 108 HE3 LYS 14 1HE LYS 14 -3.160 4.989 -12.096 109 HZ1 LYS 14 3HZ LYS 14 -4.772 6.646 -12.550 110 HZ2 LYS 14 1HZ LYS 14 -5.897 5.961 -11.492 111 HZ3 LYS 14 2HZ LYS 14 -5.485 5.162 -12.921 112 H LEU 15 H LEU 15 0.070 4.363 -7.166 113 HA LEU 15 HA LEU 15 -1.226 5.140 -4.629 114 HB2 LEU 15 2HB LEU 15 1.723 4.961 -5.293 115 HB3 LEU 15 1HB LEU 15 1.069 5.511 -3.765 116 HG LEU 15 HG LEU 15 1.800 3.292 -3.416 117 HD11 LEU 15 1HD1 LEU 15 -0.238 2.094 -2.831 118 HD12 LEU 15 2HD1 LEU 15 -1.186 3.195 -3.830 119 HD13 LEU 15 3HD1 LEU 15 -0.355 3.799 -2.397 120 HD21 LEU 15 3HD2 LEU 15 0.228 2.454 -5.850 121 HD22 LEU 15 1HD2 LEU 15 1.141 1.391 -4.781 122 HD23 LEU 15 2HD2 LEU 15 1.983 2.597 -5.752 123 H THR 16 H THR 16 -1.075 7.277 -3.899 124 HA THR 16 HA THR 16 0.035 9.251 -5.808 125 HB THR 16 HB THR 16 -2.368 9.647 -3.996 126 HG1 THR 16 HG1 THR 16 -2.157 8.660 -6.495 127 HG21 THR 16 3HG2 THR 16 -1.065 11.709 -4.252 128 HG22 THR 16 1HG2 THR 16 -2.596 11.824 -5.122 129 HG23 THR 16 2HG2 THR 16 -1.099 11.523 -6.006 130 H VAL 17 H VAL 17 2.029 9.463 -4.800 131 HA VAL 17 HA VAL 17 2.217 9.980 -1.951 132 HB VAL 17 HB VAL 17 4.360 10.115 -4.086 133 HG11 VAL 17 1HG1 VAL 17 5.943 9.937 -2.215 134 HG12 VAL 17 2HG1 VAL 17 4.601 10.014 -1.073 135 HG13 VAL 17 3HG1 VAL 17 4.967 11.400 -2.103 136 HG21 VAL 17 3HG2 VAL 17 3.387 7.882 -3.924 137 HG22 VAL 17 1HG2 VAL 17 3.663 7.872 -2.182 138 HG23 VAL 17 2HG2 VAL 17 5.035 7.894 -3.293 139 H LYS 18 H LYS 18 1.900 11.966 -1.090 140 HA LYS 18 HA LYS 18 1.940 14.256 -2.934 141 HB2 LYS 18 2HB LYS 18 0.638 14.087 -0.209 142 HB3 LYS 18 1HB LYS 18 0.426 15.360 -1.405 143 HG2 LYS 18 2HG LYS 18 -0.539 13.633 -2.949 144 HG3 LYS 18 1HG LYS 18 -0.487 12.495 -1.605 145 HD2 LYS 18 2HD LYS 18 -2.667 13.271 -1.505 146 HD3 LYS 18 1HD LYS 18 -1.854 14.310 -0.337 147 HE2 LYS 18 2HE LYS 18 -2.487 15.027 -3.204 148 HE3 LYS 18 1HE LYS 18 -3.387 15.565 -1.789 149 HZ1 LYS 18 3HZ LYS 18 -0.584 16.252 -2.483 150 HZ2 LYS 18 1HZ LYS 18 -1.332 16.664 -1.020 151 HZ3 LYS 18 2HZ LYS 18 -1.922 17.291 -2.472 152 H PHE 19 H PHE 19 3.884 15.229 -2.934 153 HA PHE 19 HA PHE 19 5.429 15.721 -0.547 154 HB2 PHE 19 2HB PHE 19 5.697 16.438 -3.447 155 HB3 PHE 19 1HB PHE 19 6.615 17.364 -2.273 156 HD1 PHE 19 HD1 PHE 19 8.206 16.113 -0.733 157 HD2 PHE 19 HD2 PHE 19 6.470 14.357 -4.207 158 HE1 PHE 19 HE1 PHE 19 9.994 14.422 -0.771 159 HE2 PHE 19 HE2 PHE 19 8.256 12.663 -4.240 160 HZ PHE 19 HZ PHE 19 10.015 12.696 -2.523 161 H GLY 20 H GLY 20 3.707 16.823 0.693 162 HA2 GLY 20 2HA GLY 20 2.640 18.692 1.525 163 HA3 GLY 20 1HA GLY 20 4.046 19.556 0.928 164 H GLY 21 H GLY 21 0.861 18.323 -0.074 165 HA2 GLY 21 2HA GLY 21 -0.745 19.580 -1.274 166 HA3 GLY 21 1HA GLY 21 0.517 20.694 -1.771 167 H LYS 22 H LYS 22 2.371 19.106 -2.947 168 HA LYS 22 HA LYS 22 1.404 18.648 -5.522 169 HB2 LYS 22 2HB LYS 22 3.860 17.563 -4.127 170 HB3 LYS 22 1HB LYS 22 3.563 17.368 -5.849 171 HG2 LYS 22 2HG LYS 22 3.672 20.068 -4.521 172 HG3 LYS 22 1HG LYS 22 5.107 19.260 -5.151 173 HD2 LYS 22 2HD LYS 22 2.690 19.678 -6.891 174 HD3 LYS 22 1HD LYS 22 3.856 20.976 -6.647 175 HE2 LYS 22 2HE LYS 22 4.364 19.747 -8.687 176 HE3 LYS 22 1HE LYS 22 5.646 19.525 -7.503 177 HZ1 LYS 22 3HZ LYS 22 5.050 17.467 -8.654 178 HZ2 LYS 22 1HZ LYS 22 3.475 17.572 -8.046 179 HZ3 LYS 22 2HZ LYS 22 4.781 17.352 -6.990 180 H SER 23 H SER 23 1.467 16.565 -6.742 181 HA SER 23 HA SER 23 0.754 14.197 -5.141 182 HB2 SER 23 2HB SER 23 -1.018 13.627 -6.797 183 HB3 SER 23 1HB SER 23 -1.360 15.123 -5.930 184 HG SER 23 HG SER 23 -1.688 15.158 -8.273 185 H ILE 24 H ILE 24 2.104 12.577 -5.613 186 HA ILE 24 HA ILE 24 3.344 12.454 -8.293 187 HB ILE 24 HB ILE 24 4.330 11.166 -5.733 188 HG12 ILE 24 2HG1 ILE 24 4.473 13.618 -5.582 189 HG13 ILE 24 1HG1 ILE 24 6.076 12.904 -5.705 190 HG21 ILE 24 1HG2 ILE 24 6.404 10.778 -6.985 191 HG22 ILE 24 2HG2 ILE 24 5.662 11.466 -8.428 192 HG23 ILE 24 3HG2 ILE 24 5.029 9.971 -7.739 193 HD11 ILE 24 3HD1 ILE 24 5.904 14.918 -7.041 194 HD12 ILE 24 1HD1 ILE 24 4.553 14.232 -7.940 195 HD13 ILE 24 2HD1 ILE 24 6.157 13.511 -8.075 196 HA PRO 25 HA PRO 25 0.678 8.747 -8.523 197 HB2 PRO 25 2HB PRO 25 1.200 8.894 -11.402 198 HB3 PRO 25 1HB PRO 25 -0.330 9.055 -10.537 199 HG2 PRO 25 2HG PRO 25 0.867 11.142 -11.773 200 HG3 PRO 25 1HG PRO 25 -0.115 11.336 -10.311 201 HD2 PRO 25 2HD PRO 25 2.877 11.231 -10.578 202 HD3 PRO 25 1HD PRO 25 1.869 12.322 -9.598 203 H LEU 26 H LEU 26 1.677 6.913 -7.915 204 HA LEU 26 HA LEU 26 3.936 5.916 -9.553 205 HB2 LEU 26 2HB LEU 26 3.481 5.543 -6.587 206 HB3 LEU 26 1HB LEU 26 4.760 4.778 -7.509 207 HG LEU 26 HG LEU 26 4.459 7.748 -7.025 208 HD11 LEU 26 1HD1 LEU 26 6.484 7.497 -5.678 209 HD12 LEU 26 2HD1 LEU 26 6.463 5.756 -5.960 210 HD13 LEU 26 3HD1 LEU 26 5.163 6.516 -5.042 211 HD21 LEU 26 3HD2 LEU 26 5.440 7.305 -9.221 212 HD22 LEU 26 1HD2 LEU 26 6.635 6.235 -8.483 213 HD23 LEU 26 2HD2 LEU 26 6.643 7.959 -8.112 214 H SER 27 H SER 27 3.874 3.813 -10.226 215 HA SER 27 HA SER 27 1.591 2.156 -9.327 216 HB2 SER 27 2HB SER 27 1.673 1.050 -11.546 217 HB3 SER 27 1HB SER 27 1.336 2.777 -11.678 218 HG SER 27 HG SER 27 3.726 1.381 -12.257 219 H VAL 28 H VAL 28 2.539 0.934 -7.758 220 HA VAL 28 HA VAL 28 4.894 -0.689 -8.529 221 HB VAL 28 HB VAL 28 5.662 -0.666 -6.211 222 HG11 VAL 28 1HG1 VAL 28 6.513 1.073 -7.689 223 HG12 VAL 28 2HG1 VAL 28 6.355 1.686 -6.043 224 HG13 VAL 28 3HG1 VAL 28 5.159 2.122 -7.264 225 HG21 VAL 28 3HG2 VAL 28 4.623 0.780 -4.521 226 HG22 VAL 28 1HG2 VAL 28 3.500 -0.461 -5.083 227 HG23 VAL 28 2HG2 VAL 28 3.343 1.198 -5.662 228 H SER 29 H SER 29 5.085 -2.596 -6.790 229 HA SER 29 HA SER 29 2.494 -3.989 -6.847 230 HB2 SER 29 2HB SER 29 5.288 -5.094 -6.416 231 HB3 SER 29 1HB SER 29 3.812 -6.053 -6.535 232 HG SER 29 HG SER 29 3.706 -5.682 -8.650 233 HA PRO 30 HA PRO 30 1.818 -3.660 -2.477 234 HB2 PRO 30 2HB PRO 30 0.744 -6.150 -1.945 235 HB3 PRO 30 1HB PRO 30 -0.155 -4.804 -2.650 236 HG2 PRO 30 2HG PRO 30 1.149 -7.133 -4.018 237 HG3 PRO 30 1HG PRO 30 -0.441 -6.403 -4.322 238 HD2 PRO 30 2HD PRO 30 1.642 -5.871 -5.913 239 HD3 PRO 30 1HD PRO 30 0.472 -4.602 -5.492 240 H ASP 31 H ASP 31 3.749 -6.269 -3.740 241 HA ASP 31 HA ASP 31 4.775 -7.319 -1.327 242 HB2 ASP 31 2HB ASP 31 6.012 -7.207 -4.090 243 HB3 ASP 31 1HB ASP 31 6.601 -8.202 -2.762 244 H CYS 32 H CYS 32 5.483 -4.389 -3.041 245 HA CYS 32 HA CYS 32 8.137 -3.998 -2.043 246 HB2 CYS 32 2HB CYS 32 6.168 -2.077 -3.308 247 HB3 CYS 32 1HB CYS 32 7.821 -1.644 -2.882 248 HG CYS 32 HG CYS 32 8.197 -2.009 -5.465 249 H THR 33 H THR 33 8.865 -2.607 -0.431 250 HA THR 33 HA THR 33 6.948 -2.065 1.727 251 HB THR 33 HB THR 33 8.866 -1.812 3.194 252 HG1 THR 33 HG1 THR 33 11.007 -2.189 2.242 253 HG21 THR 33 3HG2 THR 33 9.854 -4.057 3.027 254 HG22 THR 33 1HG2 THR 33 9.194 -4.223 1.400 255 HG23 THR 33 2HG2 THR 33 8.107 -4.101 2.784 256 H VAL 34 H VAL 34 7.301 -0.015 3.009 257 HA VAL 34 HA VAL 34 7.330 2.285 1.347 258 HB VAL 34 HB VAL 34 7.308 3.613 3.399 259 HG11 VAL 34 1HG1 VAL 34 5.223 2.617 2.610 260 HG12 VAL 34 2HG1 VAL 34 5.245 2.726 4.369 261 HG13 VAL 34 3HG1 VAL 34 5.531 1.175 3.578 262 HG21 VAL 34 3HG2 VAL 34 7.766 0.998 4.845 263 HG22 VAL 34 1HG2 VAL 34 7.417 2.551 5.607 264 HG23 VAL 34 2HG2 VAL 34 8.922 2.324 4.715 265 H LYS 35 H LYS 35 9.870 0.516 2.920 266 HA LYS 35 HA LYS 35 11.901 2.524 2.701 267 HB2 LYS 35 2HB LYS 35 12.046 0.479 4.165 268 HB3 LYS 35 1HB LYS 35 12.270 -0.485 2.715 269 HG2 LYS 35 2HG LYS 35 14.327 0.772 2.211 270 HG3 LYS 35 1HG LYS 35 14.103 1.706 3.693 271 HD2 LYS 35 2HD LYS 35 14.207 -0.422 4.986 272 HD3 LYS 35 1HD LYS 35 14.571 -1.273 3.483 273 HE2 LYS 35 2HE LYS 35 16.638 -0.855 4.637 274 HE3 LYS 35 1HE LYS 35 16.575 0.190 3.220 275 HZ1 LYS 35 3HZ LYS 35 15.799 1.993 4.706 276 HZ2 LYS 35 1HZ LYS 35 17.357 1.447 5.077 277 HZ3 LYS 35 2HZ LYS 35 16.046 0.976 6.028 278 H ASP 36 H ASP 36 10.782 -0.134 0.634 279 HA ASP 36 HA ASP 36 12.541 0.192 -1.517 280 HB2 ASP 36 2HB ASP 36 10.924 -1.679 -1.263 281 HB3 ASP 36 1HB ASP 36 9.605 -0.567 -1.613 282 H LEU 37 H LEU 37 9.476 1.834 -0.784 283 HA LEU 37 HA LEU 37 9.424 3.552 -3.007 284 HB2 LEU 37 2HB LEU 37 8.336 3.924 -0.216 285 HB3 LEU 37 1HB LEU 37 8.011 5.033 -1.537 286 HG LEU 37 HG LEU 37 7.217 2.113 -1.462 287 HD11 LEU 37 1HD1 LEU 37 5.533 4.607 -1.220 288 HD12 LEU 37 2HD1 LEU 37 5.900 3.472 0.079 289 HD13 LEU 37 3HD1 LEU 37 4.928 2.950 -1.296 290 HD21 LEU 37 3HD2 LEU 37 7.712 2.843 -3.732 291 HD22 LEU 37 1HD2 LEU 37 6.669 4.251 -3.527 292 HD23 LEU 37 2HD2 LEU 37 5.974 2.629 -3.523 293 H LYS 38 H LYS 38 10.954 3.993 0.193 294 HA LYS 38 HA LYS 38 11.924 6.588 -0.133 295 HB2 LYS 38 2HB LYS 38 13.128 4.230 1.325 296 HB3 LYS 38 1HB LYS 38 13.817 5.842 1.399 297 HG2 LYS 38 2HG LYS 38 11.785 6.694 2.441 298 HG3 LYS 38 1HG LYS 38 11.033 5.099 2.308 299 HD2 LYS 38 2HD LYS 38 12.774 4.156 3.764 300 HD3 LYS 38 1HD LYS 38 13.534 5.743 3.883 301 HE2 LYS 38 2HE LYS 38 10.678 5.334 4.715 302 HE3 LYS 38 1HE LYS 38 12.004 4.943 5.807 303 HZ1 LYS 38 3HZ LYS 38 11.104 7.204 6.101 304 HZ2 LYS 38 1HZ LYS 38 11.619 7.600 4.542 305 HZ3 LYS 38 2HZ LYS 38 12.756 7.195 5.727 306 H SER 39 H SER 39 13.298 3.530 -1.283 307 HA SER 39 HA SER 39 15.684 4.778 -2.330 308 HB2 SER 39 2HB SER 39 16.147 2.517 -3.299 309 HB3 SER 39 1HB SER 39 15.862 2.493 -1.560 310 HG SER 39 HG SER 39 13.939 1.543 -1.865 311 H GLN 40 H GLN 40 12.498 4.420 -3.485 312 HA GLN 40 HA GLN 40 13.284 4.653 -6.295 313 HB2 GLN 40 2HB GLN 40 10.615 4.332 -4.927 314 HB3 GLN 40 1HB GLN 40 10.744 4.704 -6.641 315 HG2 GLN 40 2HG GLN 40 12.007 2.638 -6.997 316 HG3 GLN 40 1HG GLN 40 11.891 2.270 -5.278 317 HE21 GLN 40 1HE2 GLN 40 9.166 3.184 -5.011 318 HE22 GLN 40 2HE2 GLN 40 8.177 2.008 -5.791 319 H LEU 41 H LEU 41 11.676 6.585 -3.795 320 HA LEU 41 HA LEU 41 11.100 8.778 -5.547 321 HB2 LEU 41 2HB LEU 41 11.028 8.524 -2.544 322 HB3 LEU 41 1HB LEU 41 10.531 9.970 -3.404 323 HG LEU 41 HG LEU 41 9.256 7.244 -3.741 324 HD11 LEU 41 1HD1 LEU 41 8.820 8.152 -1.515 325 HD12 LEU 41 2HD1 LEU 41 7.361 8.181 -2.505 326 HD13 LEU 41 3HD1 LEU 41 8.269 9.667 -2.231 327 HD21 LEU 41 3HD2 LEU 41 7.522 8.479 -4.968 328 HD22 LEU 41 1HD2 LEU 41 9.096 8.627 -5.749 329 HD23 LEU 41 2HD2 LEU 41 8.455 9.965 -4.795 330 H GLN 42 H GLN 42 13.729 8.071 -3.285 331 HA GLN 42 HA GLN 42 14.813 10.619 -3.040 332 HB2 GLN 42 2HB GLN 42 15.592 8.804 -1.650 333 HB3 GLN 42 1HB GLN 42 16.268 7.970 -3.043 334 HG2 GLN 42 2HG GLN 42 17.901 9.729 -3.356 335 HG3 GLN 42 1HG GLN 42 17.178 10.668 -2.051 336 HE21 GLN 42 1HE2 GLN 42 19.100 10.709 -0.895 337 HE22 GLN 42 2HE2 GLN 42 19.721 9.318 -0.080 338 HA PRO 43 HA PRO 43 17.710 9.786 -6.916 339 HB2 PRO 43 2HB PRO 43 16.631 8.055 -8.781 340 HB3 PRO 43 1HB PRO 43 17.847 7.602 -7.583 341 HG2 PRO 43 2HG PRO 43 14.873 7.235 -7.491 342 HG3 PRO 43 1HG PRO 43 16.157 6.097 -7.038 343 HD2 PRO 43 2HD PRO 43 14.817 7.471 -5.178 344 HD3 PRO 43 1HD PRO 43 16.558 7.166 -5.008 345 H ILE 44 H ILE 44 14.310 10.152 -6.767 346 HA ILE 44 HA ILE 44 14.133 11.546 -9.343 347 HB ILE 44 HB ILE 44 11.965 11.019 -7.294 348 HG12 ILE 44 2HG1 ILE 44 12.562 9.549 -9.879 349 HG13 ILE 44 1HG1 ILE 44 12.891 8.932 -8.263 350 HG21 ILE 44 1HG2 ILE 44 11.455 12.928 -8.717 351 HG22 ILE 44 2HG2 ILE 44 10.410 11.566 -9.122 352 HG23 ILE 44 3HG2 ILE 44 11.781 11.964 -10.158 353 HD11 ILE 44 3HD1 ILE 44 10.494 8.973 -7.769 354 HD12 ILE 44 1HD1 ILE 44 10.869 7.957 -9.158 355 HD13 ILE 44 2HD1 ILE 44 10.173 9.560 -9.402 356 H THR 45 H THR 45 13.805 12.185 -5.860 357 HA THR 45 HA THR 45 13.414 15.062 -6.450 358 HB THR 45 HB THR 45 12.252 15.210 -4.269 359 HG1 THR 45 HG1 THR 45 12.071 12.415 -4.099 360 HG21 THR 45 3HG2 THR 45 11.139 13.064 -6.088 361 HG22 THR 45 1HG2 THR 45 10.948 14.804 -6.309 362 HG23 THR 45 2HG2 THR 45 10.219 14.007 -4.917 363 H ASN 46 H ASN 46 15.803 13.067 -5.439 364 HA ASN 46 HA ASN 46 17.758 13.295 -4.315 365 HB2 ASN 46 2HB ASN 46 17.063 16.223 -4.585 366 HB3 ASN 46 1HB ASN 46 18.596 15.651 -3.932 367 HD21 ASN 46 1HD2 ASN 46 18.049 17.224 -6.321 368 HD22 ASN 46 2HD2 ASN 46 18.723 16.336 -7.636 369 H VAL 47 H VAL 47 15.034 13.388 -2.777 370 HA VAL 47 HA VAL 47 15.805 14.661 -0.291 371 HB VAL 47 HB VAL 47 13.400 12.927 -0.907 372 HG11 VAL 47 1HG1 VAL 47 12.448 13.823 1.148 373 HG12 VAL 47 2HG1 VAL 47 13.916 14.750 1.452 374 HG13 VAL 47 3HG1 VAL 47 13.960 12.986 1.492 375 HG21 VAL 47 3HG2 VAL 47 12.162 15.043 -1.031 376 HG22 VAL 47 1HG2 VAL 47 13.435 14.969 -2.248 377 HG23 VAL 47 2HG2 VAL 47 13.664 15.940 -0.793 378 H LEU 48 H LEU 48 16.782 13.724 1.393 379 HA LEU 48 HA LEU 48 17.797 11.074 1.281 380 HB2 LEU 48 2HB LEU 48 17.601 12.947 3.652 381 HB3 LEU 48 1HB LEU 48 18.606 11.512 3.566 382 HG LEU 48 HG LEU 48 18.934 14.003 1.877 383 HD11 LEU 48 1HD1 LEU 48 20.986 14.340 3.146 384 HD12 LEU 48 2HD1 LEU 48 20.631 12.916 4.124 385 HD13 LEU 48 3HD1 LEU 48 19.581 14.329 4.213 386 HD21 LEU 48 3HD2 LEU 48 19.587 12.013 0.636 387 HD22 LEU 48 1HD2 LEU 48 20.592 11.480 1.986 388 HD23 LEU 48 2HD2 LEU 48 21.009 12.945 1.099 389 HA PRO 49 HA PRO 49 14.554 8.489 2.935 390 HB2 PRO 49 2HB PRO 49 16.147 7.115 4.837 391 HB3 PRO 49 1HB PRO 49 15.780 6.605 3.188 392 HG2 PRO 49 2HG PRO 49 18.198 7.970 4.254 393 HG3 PRO 49 1HG PRO 49 18.051 6.816 2.915 394 HD2 PRO 49 2HD PRO 49 18.445 9.438 2.477 395 HD3 PRO 49 1HD PRO 49 17.422 8.463 1.402 396 H ARG 50 H ARG 50 16.733 10.051 5.280 397 HA ARG 50 HA ARG 50 15.117 10.014 7.557 398 HB2 ARG 50 2HB ARG 50 17.444 10.761 7.585 399 HB3 ARG 50 1HB ARG 50 17.035 12.159 6.601 400 HG2 ARG 50 2HG ARG 50 15.592 12.978 8.449 401 HG3 ARG 50 1HG ARG 50 16.143 11.621 9.432 402 HD2 ARG 50 2HD ARG 50 17.423 13.608 9.980 403 HD3 ARG 50 1HD ARG 50 18.466 12.417 9.196 404 HE ARG 50 HE ARG 50 17.290 14.628 7.644 405 HH11 ARG 50 1HH1 ARG 50 20.070 12.985 8.850 406 HH12 ARG 50 2HH1 ARG 50 21.156 13.870 7.840 407 HH21 ARG 50 1HH2 ARG 50 18.704 15.770 6.374 408 HH22 ARG 50 2HH2 ARG 50 20.396 15.420 6.453 409 H GLY 51 H GLY 51 15.177 12.341 4.878 410 HA2 GLY 51 2HA GLY 51 13.078 13.988 5.936 411 HA3 GLY 51 1HA GLY 51 13.746 14.059 4.312 412 H GLN 52 H GLN 52 13.233 11.288 3.669 413 HA GLN 52 HA GLN 52 10.582 11.517 2.689 414 HB2 GLN 52 2HB GLN 52 12.416 9.113 2.798 415 HB3 GLN 52 1HB GLN 52 10.902 9.175 1.902 416 HG2 GLN 52 2HG GLN 52 11.788 10.968 0.503 417 HG3 GLN 52 1HG GLN 52 13.297 10.944 1.413 418 HE21 GLN 52 1HE2 GLN 52 14.743 9.246 1.083 419 HE22 GLN 52 2HE2 GLN 52 14.597 8.158 -0.247 420 H LYS 53 H LYS 53 9.409 11.901 4.691 421 HA LYS 53 HA LYS 53 8.993 9.576 6.423 422 HB2 LYS 53 2HB LYS 53 8.000 12.432 6.606 423 HB3 LYS 53 1HB LYS 53 7.607 11.174 7.773 424 HG2 LYS 53 2HG LYS 53 9.928 10.949 8.381 425 HG3 LYS 53 1HG LYS 53 10.407 12.098 7.129 426 HD2 LYS 53 2HD LYS 53 9.150 13.865 8.283 427 HD3 LYS 53 1HD LYS 53 8.663 12.709 9.528 428 HE2 LYS 53 2HE LYS 53 10.523 14.042 10.329 429 HE3 LYS 53 1HE LYS 53 11.042 12.373 10.111 430 HZ1 LYS 53 3HZ LYS 53 12.100 12.975 8.051 431 HZ2 LYS 53 1HZ LYS 53 12.661 13.994 9.277 432 HZ3 LYS 53 2HZ LYS 53 11.529 14.561 8.162 433 H LEU 54 H LEU 54 7.743 8.136 5.299 434 HA LEU 54 HA LEU 54 5.390 8.976 3.834 435 HB2 LEU 54 2HB LEU 54 6.583 6.264 4.409 436 HB3 LEU 54 1HB LEU 54 5.109 6.484 3.480 437 HG LEU 54 HG LEU 54 7.805 7.639 2.711 438 HD11 LEU 54 1HD1 LEU 54 7.829 5.197 2.601 439 HD12 LEU 54 2HD1 LEU 54 7.873 5.914 0.992 440 HD13 LEU 54 3HD1 LEU 54 6.372 5.220 1.608 441 HD21 LEU 54 3HD2 LEU 54 5.904 8.928 1.861 442 HD22 LEU 54 1HD2 LEU 54 5.204 7.460 1.177 443 HD23 LEU 54 2HD2 LEU 54 6.733 8.083 0.556 444 H ILE 55 H ILE 55 3.576 9.466 4.880 445 HA ILE 55 HA ILE 55 2.778 7.857 7.231 446 HB ILE 55 HB ILE 55 2.247 10.805 6.759 447 HG12 ILE 55 2HG1 ILE 55 4.071 9.476 8.788 448 HG13 ILE 55 1HG1 ILE 55 4.625 10.250 7.309 449 HG21 ILE 55 1HG2 ILE 55 1.354 10.805 9.050 450 HG22 ILE 55 2HG2 ILE 55 1.593 9.060 9.140 451 HG23 ILE 55 3HG2 ILE 55 0.433 9.734 7.994 452 HD11 ILE 55 3HD1 ILE 55 4.951 11.696 9.211 453 HD12 ILE 55 1HD1 ILE 55 3.234 11.600 9.613 454 HD13 ILE 55 2HD1 ILE 55 3.748 12.391 8.121 455 H PHE 56 H PHE 56 0.874 6.831 7.039 456 HA PHE 56 HA PHE 56 -1.084 7.787 5.041 457 HB2 PHE 56 2HB PHE 56 0.135 5.845 4.157 458 HB3 PHE 56 1HB PHE 56 -0.288 4.913 5.586 459 HD1 PHE 56 HD1 PHE 56 -2.036 6.935 2.962 460 HD2 PHE 56 HD2 PHE 56 -2.004 3.394 5.335 461 HE1 PHE 56 HE1 PHE 56 -4.069 6.150 1.821 462 HE2 PHE 56 HE2 PHE 56 -4.038 2.612 4.197 463 HZ PHE 56 HZ PHE 56 -5.074 3.988 2.436 464 H LYS 57 H LYS 57 -3.141 7.978 5.755 465 HA LYS 57 HA LYS 57 -4.954 7.991 7.134 466 HB2 LYS 57 2HB LYS 57 -3.798 5.306 7.912 467 HB3 LYS 57 1HB LYS 57 -5.335 5.895 8.525 468 HG2 LYS 57 2HG LYS 57 -4.692 5.484 5.606 469 HG3 LYS 57 1HG LYS 57 -5.574 4.342 6.624 470 HD2 LYS 57 2HD LYS 57 -7.315 6.017 7.015 471 HD3 LYS 57 1HD LYS 57 -6.428 7.183 6.034 472 HE2 LYS 57 2HE LYS 57 -6.686 5.725 4.078 473 HE3 LYS 57 1HE LYS 57 -7.578 4.564 5.062 474 HZ1 LYS 57 3HZ LYS 57 -9.255 6.271 5.462 475 HZ2 LYS 57 1HZ LYS 57 -9.080 5.961 3.810 476 HZ3 LYS 57 2HZ LYS 57 -8.409 7.358 4.482 477 H GLY 58 H GLY 58 -2.304 9.058 8.111 478 HA2 GLY 58 2HA GLY 58 -1.757 10.303 10.004 479 HA3 GLY 58 1HA GLY 58 -3.089 9.549 10.866 480 H LYS 59 H LYS 59 -1.069 7.331 9.282 481 HA LYS 59 HA LYS 59 0.355 6.714 11.797 482 HB2 LYS 59 2HB LYS 59 -1.313 5.018 11.318 483 HB3 LYS 59 1HB LYS 59 -0.726 4.849 9.669 484 HG2 LYS 59 2HG LYS 59 1.420 3.992 10.555 485 HG3 LYS 59 1HG LYS 59 0.752 4.093 12.187 486 HD2 LYS 59 2HD LYS 59 -1.033 2.510 11.521 487 HD3 LYS 59 1HD LYS 59 -0.299 2.385 9.920 488 HE2 LYS 59 2HE LYS 59 0.339 0.503 11.354 489 HE3 LYS 59 1HE LYS 59 1.738 1.480 10.907 490 HZ1 LYS 59 3HZ LYS 59 1.666 2.538 13.062 491 HZ2 LYS 59 1HZ LYS 59 1.758 0.861 13.252 492 HZ3 LYS 59 2HZ LYS 59 0.288 1.659 13.493 493 H VAL 60 H VAL 60 2.540 6.677 11.704 494 HA VAL 60 HA VAL 60 3.895 6.938 9.148 495 HB VAL 60 HB VAL 60 4.712 8.274 11.022 496 HG11 VAL 60 1HG1 VAL 60 4.172 6.813 12.884 497 HG12 VAL 60 2HG1 VAL 60 5.882 7.241 12.927 498 HG13 VAL 60 3HG1 VAL 60 5.385 5.649 12.354 499 HG21 VAL 60 3HG2 VAL 60 6.295 7.641 9.275 500 HG22 VAL 60 1HG2 VAL 60 6.714 6.178 10.164 501 HG23 VAL 60 2HG2 VAL 60 7.102 7.762 10.838 502 H LEU 61 H LEU 61 4.646 5.286 7.983 503 HA LEU 61 HA LEU 61 4.278 2.603 9.004 504 HB2 LEU 61 2HB LEU 61 5.133 3.572 6.273 505 HB3 LEU 61 1HB LEU 61 4.854 1.894 6.687 506 HG LEU 61 HG LEU 61 2.924 2.627 5.530 507 HD11 LEU 61 1HD1 LEU 61 1.137 2.365 7.152 508 HD12 LEU 61 2HD1 LEU 61 2.258 2.694 8.473 509 HD13 LEU 61 3HD1 LEU 61 2.454 1.243 7.489 510 HD21 LEU 61 3HD2 LEU 61 2.793 4.992 7.403 511 HD22 LEU 61 1HD2 LEU 61 1.618 4.597 6.148 512 HD23 LEU 61 2HD2 LEU 61 3.269 5.033 5.703 513 H VAL 62 H VAL 62 5.779 1.071 9.394 514 HA VAL 62 HA VAL 62 8.513 1.800 9.836 515 HB VAL 62 HB VAL 62 7.206 -0.939 9.833 516 HG11 VAL 62 1HG1 VAL 62 9.858 -0.079 10.998 517 HG12 VAL 62 2HG1 VAL 62 9.629 -1.112 9.587 518 HG13 VAL 62 3HG1 VAL 62 9.116 -1.669 11.178 519 HG21 VAL 62 3HG2 VAL 62 7.134 -0.678 12.277 520 HG22 VAL 62 1HG2 VAL 62 6.179 0.558 11.459 521 HG23 VAL 62 2HG2 VAL 62 7.764 0.961 12.117 522 H GLU 63 H GLU 63 10.376 1.135 8.664 523 HA GLU 63 HA GLU 63 10.170 1.253 5.892 524 HB2 GLU 63 2HB GLU 63 12.432 0.232 7.611 525 HB3 GLU 63 1HB GLU 63 12.568 0.467 5.874 526 HG2 GLU 63 2HG GLU 63 11.955 2.865 6.227 527 HG3 GLU 63 1HG GLU 63 12.052 2.573 7.963 528 H THR 64 H THR 64 10.244 -1.601 7.947 529 HA THR 64 HA THR 64 10.523 -3.437 5.718 530 HB THR 64 HB THR 64 10.162 -5.204 7.493 531 HG1 THR 64 HG1 THR 64 9.803 -4.611 9.538 532 HG21 THR 64 3HG2 THR 64 12.350 -3.180 8.012 533 HG22 THR 64 1HG2 THR 64 12.414 -4.497 6.839 534 HG23 THR 64 2HG2 THR 64 12.343 -4.855 8.564 535 H SER 65 H SER 65 7.983 -1.628 6.554 536 HA SER 65 HA SER 65 5.923 -3.701 6.421 537 HB2 SER 65 2HB SER 65 5.672 -0.694 6.719 538 HB3 SER 65 1HB SER 65 4.334 -1.842 6.791 539 HG SER 65 HG SER 65 4.988 -1.382 8.874 540 H THR 66 H THR 66 4.906 -4.251 4.602 541 HA THR 66 HA THR 66 5.440 -2.827 2.124 542 HB THR 66 HB THR 66 4.231 -4.654 1.013 543 HG1 THR 66 HG1 THR 66 3.035 -6.057 2.111 544 HG21 THR 66 3HG2 THR 66 5.725 -6.511 1.618 545 HG22 THR 66 1HG2 THR 66 6.197 -5.652 3.085 546 HG23 THR 66 2HG2 THR 66 6.607 -4.988 1.503 547 H LEU 67 H LEU 67 3.699 -2.218 0.642 548 HA LEU 67 HA LEU 67 1.907 -0.412 1.726 549 HB2 LEU 67 2HB LEU 67 1.910 -1.835 -0.931 550 HB3 LEU 67 1HB LEU 67 0.665 -0.672 -0.526 551 HG LEU 67 HG LEU 67 2.330 0.415 -1.872 552 HD11 LEU 67 1HD1 LEU 67 2.999 2.255 -0.410 553 HD12 LEU 67 2HD1 LEU 67 2.605 1.278 1.004 554 HD13 LEU 67 3HD1 LEU 67 1.332 1.762 -0.115 555 HD21 LEU 67 3HD2 LEU 67 4.377 -0.437 0.182 556 HD22 LEU 67 1HD2 LEU 67 4.673 0.599 -1.216 557 HD23 LEU 67 2HD2 LEU 67 4.211 -1.087 -1.450 558 H LYS 68 H LYS 68 1.145 -3.725 0.621 559 HA LYS 68 HA LYS 68 -1.614 -3.593 1.044 560 HB2 LYS 68 2HB LYS 68 -0.632 -5.333 -0.315 561 HB3 LYS 68 1HB LYS 68 0.224 -5.992 1.071 562 HG2 LYS 68 2HG LYS 68 -1.803 -6.734 2.076 563 HG3 LYS 68 1HG LYS 68 -2.780 -5.858 0.896 564 HD2 LYS 68 2HD LYS 68 -2.031 -7.325 -0.878 565 HD3 LYS 68 1HD LYS 68 -0.918 -8.144 0.222 566 HE2 LYS 68 2HE LYS 68 -3.035 -9.394 -0.214 567 HE3 LYS 68 1HE LYS 68 -2.733 -9.056 1.489 568 HZ1 LYS 68 3HZ LYS 68 -4.309 -7.273 1.421 569 HZ2 LYS 68 1HZ LYS 68 -5.048 -8.662 0.807 570 HZ3 LYS 68 2HZ LYS 68 -4.530 -7.449 -0.246 571 H GLN 69 H GLN 69 0.954 -4.267 3.354 572 HA GLN 69 HA GLN 69 -0.509 -5.523 5.378 573 HB2 GLN 69 2HB GLN 69 1.860 -3.653 5.597 574 HB3 GLN 69 1HB GLN 69 1.228 -4.601 6.939 575 HG2 GLN 69 2HG GLN 69 1.729 -6.662 5.746 576 HG3 GLN 69 1HG GLN 69 2.310 -5.734 4.365 577 HE21 GLN 69 1HE2 GLN 69 4.357 -6.608 4.463 578 HE22 GLN 69 2HE2 GLN 69 5.484 -6.215 5.718 579 H SER 70 H SER 70 -0.550 -2.191 4.393 580 HA SER 70 HA SER 70 -2.132 -1.480 6.789 581 HB2 SER 70 2HB SER 70 -0.081 -0.104 6.278 582 HB3 SER 70 1HB SER 70 -0.880 0.437 4.800 583 HG SER 70 HG SER 70 -2.251 1.620 5.948 584 H ASP 71 H ASP 71 -3.147 -2.954 4.435 585 HA ASP 71 HA ASP 71 -5.041 -3.099 3.195 586 HB2 ASP 71 2HB ASP 71 -5.870 -0.659 4.780 587 HB3 ASP 71 1HB ASP 71 -6.945 -1.585 3.738 588 H VAL 72 H VAL 72 -2.741 -1.248 2.372 589 HA VAL 72 HA VAL 72 -3.964 0.722 0.669 590 HB VAL 72 HB VAL 72 -1.132 -0.353 0.679 591 HG11 VAL 72 1HG1 VAL 72 -0.567 1.679 -0.597 592 HG12 VAL 72 2HG1 VAL 72 -2.282 2.074 -0.700 593 HG13 VAL 72 3HG1 VAL 72 -1.664 0.621 -1.483 594 HG21 VAL 72 3HG2 VAL 72 -2.282 2.169 1.890 595 HG22 VAL 72 1HG2 VAL 72 -0.578 1.715 1.874 596 HG23 VAL 72 2HG2 VAL 72 -1.740 0.743 2.778 597 H GLY 73 H GLY 73 -4.757 0.446 -1.331 598 HA2 GLY 73 2HA GLY 73 -3.946 -1.952 -2.868 599 HA3 GLY 73 1HA GLY 73 -5.635 -1.484 -2.728 600 H SER 74 H SER 74 -5.833 -1.280 -5.002 601 HA SER 74 HA SER 74 -4.126 0.486 -6.489 602 HB2 SER 74 2HB SER 74 -5.752 0.109 -8.348 603 HB3 SER 74 1HB SER 74 -5.148 -1.389 -7.640 604 HG SER 74 HG SER 74 -7.700 -0.273 -7.561 605 H GLY 75 H GLY 75 -4.350 2.375 -5.094 606 HA2 GLY 75 2HA GLY 75 -5.349 4.607 -5.836 607 HA3 GLY 75 1HA GLY 75 -6.891 3.850 -5.466 608 H ALA 76 H ALA 76 -3.814 4.885 -4.044 609 HA ALA 76 HA ALA 76 -5.244 5.499 -1.547 610 HB1 ALA 76 3HB ALA 76 -4.169 3.323 -1.217 611 HB2 ALA 76 1HB ALA 76 -3.449 4.561 -0.187 612 HB3 ALA 76 2HB ALA 76 -2.609 4.027 -1.644 613 H LYS 77 H LYS 77 -4.662 7.387 -0.595 614 HA LYS 77 HA LYS 77 -2.642 9.019 -1.969 615 HB2 LYS 77 2HB LYS 77 -4.788 9.827 0.009 616 HB3 LYS 77 1HB LYS 77 -3.735 10.929 -0.874 617 HG2 LYS 77 2HG LYS 77 -4.723 10.250 -2.980 618 HG3 LYS 77 1HG LYS 77 -5.700 9.031 -2.159 619 HD2 LYS 77 2HD LYS 77 -6.819 10.852 -0.886 620 HD3 LYS 77 1HD LYS 77 -5.901 12.031 -1.827 621 HE2 LYS 77 2HE LYS 77 -6.951 11.255 -3.878 622 HE3 LYS 77 1HE LYS 77 -7.801 9.987 -2.995 623 HZ1 LYS 77 3HZ LYS 77 -9.260 11.841 -3.405 624 HZ2 LYS 77 1HZ LYS 77 -8.180 12.910 -2.662 625 HZ3 LYS 77 2HZ LYS 77 -8.961 11.725 -1.745 626 H LEU 78 H LEU 78 -0.668 8.924 -1.129 627 HA LEU 78 HA LEU 78 -0.280 8.369 1.722 628 HB2 LEU 78 2HB LEU 78 1.753 8.484 -0.514 629 HB3 LEU 78 1HB LEU 78 2.040 7.911 1.118 630 HG LEU 78 HG LEU 78 0.217 6.592 -0.906 631 HD11 LEU 78 1HD1 LEU 78 2.938 5.775 0.119 632 HD12 LEU 78 2HD1 LEU 78 2.555 6.330 -1.512 633 HD13 LEU 78 3HD1 LEU 78 1.899 4.802 -0.925 634 HD21 LEU 78 3HD2 LEU 78 1.020 5.702 1.868 635 HD22 LEU 78 1HD2 LEU 78 0.068 4.763 0.715 636 HD23 LEU 78 2HD2 LEU 78 -0.580 6.261 1.380 637 H MET 79 H MET 79 0.306 9.905 3.142 638 HA MET 79 HA MET 79 0.974 12.582 2.189 639 HB2 MET 79 2HB MET 79 -0.667 12.354 3.994 640 HB3 MET 79 1HB MET 79 0.520 11.528 4.994 641 HG2 MET 79 2HG MET 79 1.878 13.551 5.078 642 HG3 MET 79 1HG MET 79 0.725 14.380 4.035 643 HE1 MET 79 3HE MET 79 -2.453 14.527 6.324 644 HE2 MET 79 1HE MET 79 -2.045 13.281 5.148 645 HE3 MET 79 2HE MET 79 -1.762 14.978 4.763 646 H LEU 80 H LEU 80 3.063 12.693 1.525 647 HA LEU 80 HA LEU 80 5.169 11.534 3.209 648 HB2 LEU 80 2HB LEU 80 5.270 10.960 0.861 649 HB3 LEU 80 1HB LEU 80 5.219 12.650 0.400 650 HG LEU 80 HG LEU 80 7.448 13.013 1.314 651 HD11 LEU 80 1HD1 LEU 80 7.347 11.473 3.193 652 HD12 LEU 80 2HD1 LEU 80 8.779 11.179 2.210 653 HD13 LEU 80 3HD1 LEU 80 7.389 10.101 2.086 654 HD21 LEU 80 3HD2 LEU 80 7.288 12.232 -0.990 655 HD22 LEU 80 1HD2 LEU 80 7.344 10.556 -0.441 656 HD23 LEU 80 2HD2 LEU 80 8.741 11.609 -0.215 657 H MET 81 H MET 81 5.538 12.936 4.876 658 HA MET 81 HA MET 81 5.787 15.793 4.382 659 HB2 MET 81 2HB MET 81 4.741 14.937 6.475 660 HB3 MET 81 1HB MET 81 6.287 14.232 6.934 661 HG2 MET 81 2HG MET 81 7.293 16.435 7.048 662 HG3 MET 81 1HG MET 81 5.791 17.175 6.498 663 HE1 MET 81 3HE MET 81 6.266 14.195 9.044 664 HE2 MET 81 1HE MET 81 6.284 15.060 10.579 665 HE3 MET 81 2HE MET 81 7.604 15.276 9.427 666 H ALA 82 H ALA 82 7.552 15.825 2.945 667 HA ALA 82 HA ALA 82 10.167 15.064 4.097 668 HB1 ALA 82 3HB ALA 82 9.336 14.954 1.198 669 HB2 ALA 82 1HB ALA 82 9.515 13.572 2.279 670 HB3 ALA 82 2HB ALA 82 10.923 14.536 1.839 671 H SER 83 H SER 83 11.966 16.363 3.633 672 HA SER 83 HA SER 83 11.321 19.154 3.017 673 HB2 SER 83 2HB SER 83 12.614 18.782 5.048 674 HB3 SER 83 1HB SER 83 13.848 17.907 4.142 675 HG SER 83 HG SER 83 13.953 20.388 4.665 676 H GLN 84 H GLN 84 11.532 19.842 0.998 677 HA GLN 84 HA GLN 84 13.904 19.099 -0.560 678 HB2 GLN 84 2HB GLN 84 12.069 17.591 -1.268 679 HB3 GLN 84 1HB GLN 84 11.064 18.984 -1.629 680 HG2 GLN 84 2HG GLN 84 13.704 18.563 -3.004 681 HG3 GLN 84 1HG GLN 84 12.235 17.771 -3.568 682 HE21 GLN 84 1HE2 GLN 84 13.929 19.776 -4.871 683 HE22 GLN 84 2HE2 GLN 84 12.890 21.105 -5.243 684 H GLY 85 H GLY 85 14.861 20.895 -1.314 685 HA2 GLY 85 2HA GLY 85 13.203 23.207 -2.090 686 HA3 GLY 85 1HA GLY 85 14.470 23.449 -0.899 Start of MODEL 4 1 H1 MET 1 1H MET 1 -22.103 -14.463 -11.495 2 H2 MET 1 2H MET 1 -23.563 -13.686 -11.163 3 H3 MET 1 3H MET 1 -22.481 -13.013 -12.272 4 HA MET 1 HA MET 1 -23.912 -15.585 -12.594 5 HB2 MET 1 2HB MET 1 -24.315 -12.912 -13.964 6 HB3 MET 1 1HB MET 1 -25.136 -14.405 -14.401 7 HG2 MET 1 2HG MET 1 -26.139 -14.483 -12.154 8 HG3 MET 1 1HG MET 1 -25.361 -12.947 -11.777 9 HE1 MET 1 3HE MET 1 -28.039 -14.761 -14.044 10 HE2 MET 1 1HE MET 1 -26.946 -14.031 -15.223 11 HE3 MET 1 2HE MET 1 -28.592 -13.423 -15.051 12 H GLY 2 H GLY 2 -23.375 -16.799 -14.383 13 HA2 GLY 2 2HA GLY 2 -22.256 -17.229 -16.436 14 HA3 GLY 2 1HA GLY 2 -21.249 -15.819 -16.164 15 H HIS 3 H HIS 3 -21.270 -19.140 -16.159 16 HA HIS 3 HA HIS 3 -19.675 -19.744 -13.911 17 HB2 HIS 3 2HB HIS 3 -19.187 -21.903 -15.087 18 HB3 HIS 3 1HB HIS 3 -20.895 -21.524 -14.935 19 HD1 HIS 3 HD1 HIS 3 -18.136 -21.448 -17.540 20 HD2 HIS 3 HD2 HIS 3 -22.278 -21.607 -17.289 21 HE1 HIS 3 HE1 HIS 3 -18.938 -21.803 -19.889 22 HE2 HIS 3 HE2 HIS 3 -21.425 -22.082 -19.681 23 H HIS 4 H HIS 4 -17.955 -18.304 -13.762 24 HA HIS 4 HA HIS 4 -15.573 -19.293 -15.017 25 HB2 HIS 4 2HB HIS 4 -14.807 -17.087 -15.907 26 HB3 HIS 4 1HB HIS 4 -16.165 -17.778 -16.783 27 HD1 HIS 4 HD1 HIS 4 -18.486 -16.577 -16.493 28 HD2 HIS 4 HD2 HIS 4 -15.273 -14.619 -14.730 29 HE1 HIS 4 HE1 HIS 4 -19.300 -14.259 -16.001 30 HE2 HIS 4 HE2 HIS 4 -17.305 -13.054 -15.056 31 H HIS 5 H HIS 5 -14.529 -19.668 -13.174 32 HA HIS 5 HA HIS 5 -14.728 -17.865 -10.914 33 HB2 HIS 5 2HB HIS 5 -13.277 -19.570 -9.774 34 HB3 HIS 5 1HB HIS 5 -14.791 -20.206 -10.408 35 HD1 HIS 5 HD1 HIS 5 -14.656 -21.870 -12.374 36 HD2 HIS 5 HD2 HIS 5 -10.954 -20.552 -11.017 37 HE1 HIS 5 HE1 HIS 5 -12.967 -23.392 -13.430 38 HE2 HIS 5 HE2 HIS 5 -10.739 -22.458 -12.746 39 H HIS 6 H HIS 6 -13.031 -16.835 -9.873 40 HA HIS 6 HA HIS 6 -10.491 -16.546 -11.329 41 HB2 HIS 6 2HB HIS 6 -10.628 -14.046 -10.779 42 HB3 HIS 6 1HB HIS 6 -11.675 -14.625 -12.068 43 HD1 HIS 6 HD1 HIS 6 -11.755 -13.117 -8.665 44 HD2 HIS 6 HD2 HIS 6 -14.435 -14.629 -11.461 45 HE1 HIS 6 HE1 HIS 6 -14.029 -12.391 -7.881 46 HE2 HIS 6 HE2 HIS 6 -15.638 -13.431 -9.515 47 H HIS 7 H HIS 7 -8.979 -15.032 -9.817 48 HA HIS 7 HA HIS 7 -9.319 -15.732 -6.997 49 HB2 HIS 7 2HB HIS 7 -7.089 -16.815 -6.865 50 HB3 HIS 7 1HB HIS 7 -8.220 -17.716 -7.865 51 HD1 HIS 7 HD1 HIS 7 -5.035 -15.769 -8.025 52 HD2 HIS 7 HD2 HIS 7 -7.554 -17.851 -10.596 53 HE1 HIS 7 HE1 HIS 7 -3.737 -16.063 -10.149 54 HE2 HIS 7 HE2 HIS 7 -5.213 -17.453 -11.626 55 H HIS 8 H HIS 8 -7.041 -15.038 -5.848 56 HA HIS 8 HA HIS 8 -6.887 -12.219 -6.164 57 HB2 HIS 8 2HB HIS 8 -5.260 -14.180 -4.550 58 HB3 HIS 8 1HB HIS 8 -4.888 -12.458 -4.569 59 HD1 HIS 8 HD1 HIS 8 -6.587 -10.855 -3.418 60 HD2 HIS 8 HD2 HIS 8 -7.544 -14.889 -3.081 61 HE1 HIS 8 HE1 HIS 8 -8.354 -10.985 -1.642 62 HE2 HIS 8 HE2 HIS 8 -8.839 -13.435 -1.381 63 H SER 9 H SER 9 -4.749 -11.053 -6.401 64 HA SER 9 HA SER 9 -3.059 -12.242 -8.490 65 HB2 SER 9 2HB SER 9 -4.814 -11.015 -9.677 66 HB3 SER 9 1HB SER 9 -4.468 -9.569 -8.733 67 HG SER 9 HG SER 9 -3.491 -9.665 -10.878 68 H HIS 10 H HIS 10 -1.232 -10.660 -9.063 69 HA HIS 10 HA HIS 10 -0.264 -9.257 -6.655 70 HB2 HIS 10 2HB HIS 10 2.046 -10.133 -7.248 71 HB3 HIS 10 1HB HIS 10 0.917 -11.332 -6.628 72 HD1 HIS 10 HD1 HIS 10 2.992 -10.516 -9.571 73 HD2 HIS 10 HD2 HIS 10 -0.075 -13.149 -8.610 74 HE1 HIS 10 HE1 HIS 10 2.969 -12.220 -11.410 75 HE2 HIS 10 HE2 HIS 10 0.984 -13.677 -10.905 76 H SER 11 H SER 11 -1.532 -8.247 -9.068 77 HA SER 11 HA SER 11 0.377 -7.041 -10.799 78 HB2 SER 11 2HB SER 11 -2.496 -6.254 -10.223 79 HB3 SER 11 1HB SER 11 -1.526 -5.646 -11.563 80 HG SER 11 HG SER 11 -2.850 -7.375 -12.226 81 H THR 12 H THR 12 0.093 -4.433 -11.032 82 HA THR 12 HA THR 12 1.353 -3.424 -8.605 83 HB THR 12 HB THR 12 1.829 -1.377 -9.952 84 HG1 THR 12 HG1 THR 12 0.049 -1.504 -11.413 85 HG21 THR 12 3HG2 THR 12 3.445 -2.417 -11.481 86 HG22 THR 12 1HG2 THR 12 2.639 -3.974 -11.274 87 HG23 THR 12 2HG2 THR 12 3.453 -3.213 -9.905 88 H ILE 13 H ILE 13 0.737 -1.501 -7.530 89 HA ILE 13 HA ILE 13 -2.177 -1.085 -7.544 90 HB ILE 13 HB ILE 13 -1.859 -0.159 -5.263 91 HG12 ILE 13 2HG1 ILE 13 1.018 -1.063 -5.649 92 HG13 ILE 13 1HG1 ILE 13 0.473 0.604 -5.500 93 HG21 ILE 13 1HG2 ILE 13 -1.402 -2.314 -4.166 94 HG22 ILE 13 2HG2 ILE 13 -0.761 -2.948 -5.685 95 HG23 ILE 13 3HG2 ILE 13 -2.465 -2.500 -5.561 96 HD11 ILE 13 3HD1 ILE 13 1.447 -0.175 -3.433 97 HD12 ILE 13 1HD1 ILE 13 0.302 -1.516 -3.373 98 HD13 ILE 13 2HD1 ILE 13 -0.275 0.145 -3.218 99 H LYS 14 H LYS 14 -3.097 0.888 -7.812 100 HA LYS 14 HA LYS 14 -1.415 3.067 -8.755 101 HB2 LYS 14 2HB LYS 14 -4.425 2.817 -8.605 102 HB3 LYS 14 1HB LYS 14 -3.556 4.151 -9.350 103 HG2 LYS 14 2HG LYS 14 -2.609 2.632 -11.001 104 HG3 LYS 14 1HG LYS 14 -3.434 1.273 -10.239 105 HD2 LYS 14 2HD LYS 14 -4.688 1.971 -12.186 106 HD3 LYS 14 1HD LYS 14 -5.614 2.352 -10.737 107 HE2 LYS 14 2HE LYS 14 -3.887 4.373 -12.173 108 HE3 LYS 14 1HE LYS 14 -5.591 4.127 -12.542 109 HZ1 LYS 14 3HZ LYS 14 -5.410 5.938 -11.038 110 HZ2 LYS 14 1HZ LYS 14 -4.438 5.061 -9.970 111 HZ3 LYS 14 2HZ LYS 14 -6.060 4.642 -10.170 112 H LEU 15 H LEU 15 -0.449 3.492 -6.635 113 HA LEU 15 HA LEU 15 -2.182 4.692 -4.621 114 HB2 LEU 15 2HB LEU 15 -0.337 4.724 -3.159 115 HB3 LEU 15 1HB LEU 15 -0.223 3.207 -4.027 116 HG LEU 15 HG LEU 15 1.439 5.674 -4.613 117 HD11 LEU 15 1HD1 LEU 15 2.004 4.686 -2.453 118 HD12 LEU 15 2HD1 LEU 15 3.294 4.437 -3.629 119 HD13 LEU 15 3HD1 LEU 15 2.206 3.109 -3.219 120 HD21 LEU 15 3HD2 LEU 15 1.573 2.874 -5.742 121 HD22 LEU 15 1HD2 LEU 15 2.791 4.127 -5.994 122 HD23 LEU 15 2HD2 LEU 15 1.156 4.353 -6.610 123 H THR 16 H THR 16 -1.582 6.854 -3.671 124 HA THR 16 HA THR 16 -0.518 8.697 -5.726 125 HB THR 16 HB THR 16 -2.940 9.228 -3.982 126 HG1 THR 16 HG1 THR 16 -2.638 8.099 -6.449 127 HG21 THR 16 3HG2 THR 16 -3.164 11.298 -5.297 128 HG22 THR 16 1HG2 THR 16 -1.651 10.932 -6.131 129 HG23 THR 16 2HG2 THR 16 -1.648 11.269 -4.399 130 H VAL 17 H VAL 17 1.319 9.492 -4.930 131 HA VAL 17 HA VAL 17 1.602 9.965 -2.040 132 HB VAL 17 HB VAL 17 3.720 10.019 -4.213 133 HG11 VAL 17 1HG1 VAL 17 5.326 9.940 -2.357 134 HG12 VAL 17 2HG1 VAL 17 3.998 10.032 -1.201 135 HG13 VAL 17 3HG1 VAL 17 4.322 11.389 -2.280 136 HG21 VAL 17 3HG2 VAL 17 2.787 7.782 -3.960 137 HG22 VAL 17 1HG2 VAL 17 3.039 7.853 -2.216 138 HG23 VAL 17 2HG2 VAL 17 4.423 7.840 -3.307 139 H LYS 18 H LYS 18 1.620 11.990 -1.206 140 HA LYS 18 HA LYS 18 1.305 14.232 -3.066 141 HB2 LYS 18 2HB LYS 18 0.796 14.056 -0.092 142 HB3 LYS 18 1HB LYS 18 0.487 15.474 -1.084 143 HG2 LYS 18 2HG LYS 18 -1.158 14.195 -2.387 144 HG3 LYS 18 1HG LYS 18 -0.856 12.785 -1.368 145 HD2 LYS 18 2HD LYS 18 -2.871 13.969 -0.644 146 HD3 LYS 18 1HD LYS 18 -1.618 14.040 0.599 147 HE2 LYS 18 2HE LYS 18 -2.694 16.203 0.375 148 HE3 LYS 18 1HE LYS 18 -1.019 16.308 -0.159 149 HZ1 LYS 18 3HZ LYS 18 -3.405 16.091 -1.915 150 HZ2 LYS 18 1HZ LYS 18 -1.806 16.137 -2.459 151 HZ3 LYS 18 2HZ LYS 18 -2.471 17.479 -1.673 152 H PHE 19 H PHE 19 2.933 15.545 -3.501 153 HA PHE 19 HA PHE 19 5.122 15.885 -1.567 154 HB2 PHE 19 2HB PHE 19 4.919 16.115 -4.521 155 HB3 PHE 19 1HB PHE 19 5.972 17.282 -3.734 156 HD1 PHE 19 HD1 PHE 19 7.537 16.136 -1.856 157 HD2 PHE 19 HD2 PHE 19 5.929 14.187 -5.288 158 HE1 PHE 19 HE1 PHE 19 9.347 14.475 -1.757 159 HE2 PHE 19 HE2 PHE 19 7.745 12.524 -5.189 160 HZ PHE 19 HZ PHE 19 9.449 12.666 -3.421 161 H GLY 20 H GLY 20 4.315 17.323 -0.094 162 HA2 GLY 20 2HA GLY 20 3.736 19.363 0.800 163 HA3 GLY 20 1HA GLY 20 4.346 20.085 -0.682 164 H GLY 21 H GLY 21 2.917 20.879 -2.150 165 HA2 GLY 21 2HA GLY 21 0.050 20.695 -1.484 166 HA3 GLY 21 1HA GLY 21 0.798 21.929 -2.485 167 H LYS 22 H LYS 22 2.204 19.219 -3.553 168 HA LYS 22 HA LYS 22 0.311 18.934 -5.780 169 HB2 LYS 22 2HB LYS 22 3.198 18.077 -5.458 170 HB3 LYS 22 1HB LYS 22 2.232 17.750 -6.887 171 HG2 LYS 22 2HG LYS 22 2.821 20.519 -5.849 172 HG3 LYS 22 1HG LYS 22 3.770 19.703 -7.092 173 HD2 LYS 22 2HD LYS 22 0.816 20.338 -7.282 174 HD3 LYS 22 1HD LYS 22 2.107 21.268 -8.040 175 HE2 LYS 22 2HE LYS 22 2.747 19.306 -9.366 176 HE3 LYS 22 1HE LYS 22 1.475 18.364 -8.593 177 HZ1 LYS 22 3HZ LYS 22 -0.156 19.910 -9.542 178 HZ2 LYS 22 1HZ LYS 22 0.751 19.131 -10.740 179 HZ3 LYS 22 2HZ LYS 22 1.088 20.737 -10.335 180 H SER 23 H SER 23 -0.560 16.969 -6.409 181 HA SER 23 HA SER 23 -0.118 14.664 -4.603 182 HB2 SER 23 2HB SER 23 -2.626 15.340 -6.183 183 HB3 SER 23 1HB SER 23 -2.406 13.920 -5.158 184 HG SER 23 HG SER 23 -3.237 16.342 -4.454 185 H ILE 24 H ILE 24 1.156 13.223 -5.591 186 HA ILE 24 HA ILE 24 1.099 13.015 -8.528 187 HB ILE 24 HB ILE 24 3.261 12.054 -6.639 188 HG12 ILE 24 2HG1 ILE 24 3.087 14.479 -6.470 189 HG13 ILE 24 1HG1 ILE 24 4.541 14.055 -7.367 190 HG21 ILE 24 1HG2 ILE 24 4.653 11.982 -8.673 191 HG22 ILE 24 2HG2 ILE 24 3.240 12.410 -9.640 192 HG23 ILE 24 3HG2 ILE 24 3.276 10.882 -8.758 193 HD11 ILE 24 3HD1 ILE 24 3.448 15.952 -8.376 194 HD12 ILE 24 1HD1 ILE 24 1.945 15.043 -8.532 195 HD13 ILE 24 2HD1 ILE 24 3.364 14.569 -9.466 196 HA PRO 25 HA PRO 25 -0.559 8.836 -7.738 197 HB2 PRO 25 2HB PRO 25 -1.590 8.440 -10.194 198 HB3 PRO 25 1HB PRO 25 -2.395 9.470 -9.005 199 HG2 PRO 25 2HG PRO 25 -0.669 10.259 -11.328 200 HG3 PRO 25 1HG PRO 25 -2.190 10.981 -10.770 201 HD2 PRO 25 2HD PRO 25 0.291 12.003 -10.193 202 HD3 PRO 25 1HD PRO 25 -1.139 12.250 -9.171 203 H LEU 26 H LEU 26 0.735 7.094 -7.820 204 HA LEU 26 HA LEU 26 2.579 6.760 -10.107 205 HB2 LEU 26 2HB LEU 26 3.121 6.108 -7.199 206 HB3 LEU 26 1HB LEU 26 4.209 5.772 -8.533 207 HG LEU 26 HG LEU 26 3.357 8.539 -7.648 208 HD11 LEU 26 1HD1 LEU 26 5.641 8.758 -6.792 209 HD12 LEU 26 2HD1 LEU 26 5.966 7.075 -7.210 210 HD13 LEU 26 3HD1 LEU 26 4.770 7.463 -5.973 211 HD21 LEU 26 3HD2 LEU 26 3.868 8.450 -10.026 212 HD22 LEU 26 1HD2 LEU 26 5.403 7.646 -9.687 213 HD23 LEU 26 2HD2 LEU 26 5.141 9.308 -9.156 214 H SER 27 H SER 27 3.423 4.418 -10.213 215 HA SER 27 HA SER 27 1.372 2.472 -9.343 216 HB2 SER 27 2HB SER 27 2.793 2.442 -12.028 217 HB3 SER 27 1HB SER 27 1.595 1.274 -11.471 218 HG SER 27 HG SER 27 1.255 3.964 -12.246 219 H VAL 28 H VAL 28 2.409 1.345 -7.781 220 HA VAL 28 HA VAL 28 5.135 0.349 -8.356 221 HB VAL 28 HB VAL 28 5.701 0.462 -6.009 222 HG11 VAL 28 1HG1 VAL 28 6.116 2.475 -7.308 223 HG12 VAL 28 2HG1 VAL 28 5.687 2.895 -5.649 224 HG13 VAL 28 3HG1 VAL 28 4.496 3.071 -6.940 225 HG21 VAL 28 3HG2 VAL 28 4.171 1.473 -4.345 226 HG22 VAL 28 1HG2 VAL 28 3.548 -0.037 -5.010 227 HG23 VAL 28 2HG2 VAL 28 2.898 1.506 -5.565 228 H SER 29 H SER 29 5.681 -1.574 -6.848 229 HA SER 29 HA SER 29 3.602 -3.583 -7.231 230 HB2 SER 29 2HB SER 29 6.484 -3.865 -6.326 231 HB3 SER 29 1HB SER 29 5.390 -5.206 -6.659 232 HG SER 29 HG SER 29 5.824 -4.992 -8.693 233 HA PRO 30 HA PRO 30 2.231 -3.225 -2.996 234 HB2 PRO 30 2HB PRO 30 0.790 -5.547 -2.863 235 HB3 PRO 30 1HB PRO 30 0.215 -4.089 -3.679 236 HG2 PRO 30 2HG PRO 30 1.527 -6.523 -4.851 237 HG3 PRO 30 1HG PRO 30 0.104 -5.633 -5.427 238 HD2 PRO 30 2HD PRO 30 2.526 -5.286 -6.535 239 HD3 PRO 30 1HD PRO 30 1.388 -3.933 -6.355 240 H ASP 31 H ASP 31 4.001 -6.008 -4.176 241 HA ASP 31 HA ASP 31 4.467 -7.155 -1.572 242 HB2 ASP 31 2HB ASP 31 5.735 -7.719 -4.263 243 HB3 ASP 31 1HB ASP 31 5.992 -8.679 -2.808 244 H CYS 32 H CYS 32 5.620 -4.388 -2.880 245 HA CYS 32 HA CYS 32 8.372 -4.620 -1.930 246 HB2 CYS 32 2HB CYS 32 6.870 -2.296 -3.161 247 HB3 CYS 32 1HB CYS 32 8.569 -2.255 -2.708 248 HG CYS 32 HG CYS 32 9.510 -3.348 -4.837 249 H THR 33 H THR 33 9.261 -3.189 -0.312 250 HA THR 33 HA THR 33 7.422 -2.742 1.900 251 HB THR 33 HB THR 33 9.378 -2.288 3.261 252 HG1 THR 33 HG1 THR 33 11.440 -2.749 1.714 253 HG21 THR 33 3HG2 THR 33 8.840 -4.648 2.835 254 HG22 THR 33 1HG2 THR 33 10.575 -4.409 3.042 255 HG23 THR 33 2HG2 THR 33 9.904 -4.633 1.425 256 H VAL 34 H VAL 34 7.207 -0.721 3.015 257 HA VAL 34 HA VAL 34 7.101 1.585 1.368 258 HB VAL 34 HB VAL 34 6.553 2.848 3.388 259 HG11 VAL 34 1HG1 VAL 34 4.796 1.509 2.341 260 HG12 VAL 34 2HG1 VAL 34 4.570 1.595 4.087 261 HG13 VAL 34 3HG1 VAL 34 5.228 0.131 3.353 262 HG21 VAL 34 3HG2 VAL 34 6.539 1.782 5.595 263 HG22 VAL 34 1HG2 VAL 34 8.169 1.846 4.925 264 HG23 VAL 34 2HG2 VAL 34 7.265 0.330 4.903 265 H LYS 35 H LYS 35 9.632 0.216 3.272 266 HA LYS 35 HA LYS 35 11.267 2.573 3.433 267 HB2 LYS 35 2HB LYS 35 11.435 0.593 4.981 268 HB3 LYS 35 1HB LYS 35 12.129 -0.323 3.651 269 HG2 LYS 35 2HG LYS 35 14.017 1.217 3.552 270 HG3 LYS 35 1HG LYS 35 13.313 2.180 4.855 271 HD2 LYS 35 2HD LYS 35 13.445 0.183 6.334 272 HD3 LYS 35 1HD LYS 35 14.260 -0.687 5.032 273 HE2 LYS 35 2HE LYS 35 15.888 0.162 6.622 274 HE3 LYS 35 1HE LYS 35 16.071 0.979 5.072 275 HZ1 LYS 35 3HZ LYS 35 16.164 2.435 7.097 276 HZ2 LYS 35 1HZ LYS 35 14.515 2.138 7.313 277 HZ3 LYS 35 2HZ LYS 35 15.053 2.916 5.916 278 H ASP 36 H ASP 36 10.948 -0.144 1.200 279 HA ASP 36 HA ASP 36 13.233 0.388 -0.380 280 HB2 ASP 36 2HB ASP 36 11.803 -1.728 -0.350 281 HB3 ASP 36 1HB ASP 36 10.669 -0.860 -1.382 282 H LEU 37 H LEU 37 9.930 1.629 -0.458 283 HA LEU 37 HA LEU 37 9.950 3.006 -2.874 284 HB2 LEU 37 2HB LEU 37 8.642 3.697 -0.242 285 HB3 LEU 37 1HB LEU 37 8.363 4.613 -1.714 286 HG LEU 37 HG LEU 37 7.724 1.680 -1.320 287 HD11 LEU 37 1HD1 LEU 37 6.201 3.111 -0.079 288 HD12 LEU 37 2HD1 LEU 37 5.384 2.397 -1.468 289 HD13 LEU 37 3HD1 LEU 37 5.906 4.082 -1.522 290 HD21 LEU 37 3HD2 LEU 37 7.247 3.499 -3.682 291 HD22 LEU 37 1HD2 LEU 37 6.629 1.854 -3.518 292 HD23 LEU 37 2HD2 LEU 37 8.367 2.138 -3.618 293 H LYS 38 H LYS 38 11.358 3.956 0.235 294 HA LYS 38 HA LYS 38 12.177 6.554 -0.420 295 HB2 LYS 38 2HB LYS 38 13.594 4.514 1.317 296 HB3 LYS 38 1HB LYS 38 13.969 6.232 1.273 297 HG2 LYS 38 2HG LYS 38 11.713 6.737 2.113 298 HG3 LYS 38 1HG LYS 38 11.366 5.005 2.187 299 HD2 LYS 38 2HD LYS 38 13.151 4.684 3.811 300 HD3 LYS 38 1HD LYS 38 13.603 6.384 3.687 301 HE2 LYS 38 2HE LYS 38 11.336 6.982 4.532 302 HE3 LYS 38 1HE LYS 38 11.025 5.265 4.791 303 HZ1 LYS 38 3HZ LYS 38 13.267 6.764 6.035 304 HZ2 LYS 38 1HZ LYS 38 12.803 5.173 6.375 305 HZ3 LYS 38 2HZ LYS 38 11.793 6.463 6.801 306 H SER 39 H SER 39 13.758 3.432 -1.002 307 HA SER 39 HA SER 39 16.159 4.422 -2.116 308 HB2 SER 39 2HB SER 39 14.796 1.764 -2.646 309 HB3 SER 39 1HB SER 39 16.487 2.143 -2.973 310 HG SER 39 HG SER 39 15.904 1.015 -0.909 311 H GLN 40 H GLN 40 12.997 3.880 -3.485 312 HA GLN 40 HA GLN 40 13.892 4.111 -6.228 313 HB2 GLN 40 2HB GLN 40 11.105 4.096 -5.050 314 HB3 GLN 40 1HB GLN 40 11.471 4.050 -6.769 315 HG2 GLN 40 2HG GLN 40 12.638 1.913 -6.455 316 HG3 GLN 40 1HG GLN 40 12.236 1.956 -4.739 317 HE21 GLN 40 1HE2 GLN 40 9.566 3.041 -5.198 318 HE22 GLN 40 2HE2 GLN 40 8.626 1.741 -5.833 319 H LEU 41 H LEU 41 12.075 6.165 -3.949 320 HA LEU 41 HA LEU 41 11.743 8.288 -5.847 321 HB2 LEU 41 2HB LEU 41 11.331 8.230 -2.856 322 HB3 LEU 41 1HB LEU 41 10.870 9.565 -3.899 323 HG LEU 41 HG LEU 41 9.741 6.757 -4.027 324 HD11 LEU 41 1HD1 LEU 41 8.992 8.009 -2.056 325 HD12 LEU 41 2HD1 LEU 41 7.678 7.759 -3.206 326 HD13 LEU 41 3HD1 LEU 41 8.467 9.333 -3.099 327 HD21 LEU 41 3HD2 LEU 41 9.810 7.782 -6.238 328 HD22 LEU 41 1HD2 LEU 41 9.025 9.234 -5.610 329 HD23 LEU 41 2HD2 LEU 41 8.150 7.702 -5.648 330 H GLN 42 H GLN 42 14.151 7.605 -3.370 331 HA GLN 42 HA GLN 42 15.118 10.156 -2.870 332 HB2 GLN 42 2HB GLN 42 15.803 8.247 -1.544 333 HB3 GLN 42 1HB GLN 42 16.654 7.554 -2.918 334 HG2 GLN 42 2HG GLN 42 18.232 9.410 -2.904 335 HG3 GLN 42 1HG GLN 42 17.359 10.161 -1.570 336 HE21 GLN 42 1HE2 GLN 42 19.180 10.130 -0.268 337 HE22 GLN 42 2HE2 GLN 42 19.801 8.677 0.426 338 HA PRO 43 HA PRO 43 18.430 9.756 -6.392 339 HB2 PRO 43 2HB PRO 43 17.933 8.027 -8.438 340 HB3 PRO 43 1HB PRO 43 18.836 7.568 -6.989 341 HG2 PRO 43 2HG PRO 43 15.933 7.116 -7.629 342 HG3 PRO 43 1HG PRO 43 17.120 5.973 -6.968 343 HD2 PRO 43 2HD PRO 43 15.350 7.233 -5.381 344 HD3 PRO 43 1HD PRO 43 17.005 6.890 -4.835 345 H ILE 44 H ILE 44 15.033 9.763 -6.803 346 HA ILE 44 HA ILE 44 15.159 11.244 -9.343 347 HB ILE 44 HB ILE 44 12.757 10.152 -7.854 348 HG12 ILE 44 2HG1 ILE 44 14.165 9.116 -10.336 349 HG13 ILE 44 1HG1 ILE 44 14.245 8.391 -8.732 350 HG21 ILE 44 1HG2 ILE 44 12.169 12.094 -9.211 351 HG22 ILE 44 2HG2 ILE 44 11.496 10.618 -9.904 352 HG23 ILE 44 3HG2 ILE 44 12.929 11.356 -10.625 353 HD11 ILE 44 3HD1 ILE 44 12.715 7.176 -10.142 354 HD12 ILE 44 1HD1 ILE 44 11.786 8.642 -10.446 355 HD13 ILE 44 2HD1 ILE 44 11.840 7.951 -8.824 356 H THR 45 H THR 45 14.197 11.599 -5.979 357 HA THR 45 HA THR 45 13.215 14.337 -6.466 358 HB THR 45 HB THR 45 12.096 14.175 -4.307 359 HG1 THR 45 HG1 THR 45 12.775 11.482 -3.969 360 HG21 THR 45 3HG2 THR 45 10.544 12.329 -4.788 361 HG22 THR 45 1HG2 THR 45 11.682 11.677 -5.968 362 HG23 THR 45 2HG2 THR 45 10.921 13.245 -6.245 363 H ASN 46 H ASN 46 15.843 12.627 -5.082 364 HA ASN 46 HA ASN 46 17.823 13.301 -4.208 365 HB2 ASN 46 2HB ASN 46 16.785 16.089 -4.753 366 HB3 ASN 46 1HB ASN 46 18.435 15.708 -4.271 367 HD21 ASN 46 1HD2 ASN 46 17.345 16.934 -6.723 368 HD22 ASN 46 2HD2 ASN 46 17.962 15.970 -8.019 369 H VAL 47 H VAL 47 15.111 13.369 -2.562 370 HA VAL 47 HA VAL 47 16.052 14.907 -0.253 371 HB VAL 47 HB VAL 47 13.695 15.132 -0.841 372 HG11 VAL 47 1HG1 VAL 47 12.121 13.276 -0.565 373 HG12 VAL 47 2HG1 VAL 47 13.468 12.183 -0.250 374 HG13 VAL 47 3HG1 VAL 47 13.305 12.947 -1.829 375 HG21 VAL 47 3HG2 VAL 47 14.063 13.669 1.780 376 HG22 VAL 47 1HG2 VAL 47 12.708 14.718 1.362 377 HG23 VAL 47 2HG2 VAL 47 14.332 15.390 1.510 378 H LEU 48 H LEU 48 16.444 13.999 1.809 379 HA LEU 48 HA LEU 48 17.748 11.459 1.729 380 HB2 LEU 48 2HB LEU 48 17.157 13.322 4.032 381 HB3 LEU 48 1HB LEU 48 18.148 11.880 4.165 382 HG LEU 48 HG LEU 48 18.763 14.296 2.451 383 HD11 LEU 48 1HD1 LEU 48 20.058 13.298 4.989 384 HD12 LEU 48 2HD1 LEU 48 19.047 14.736 4.830 385 HD13 LEU 48 3HD1 LEU 48 20.610 14.662 4.015 386 HD21 LEU 48 3HD2 LEU 48 20.913 13.212 2.013 387 HD22 LEU 48 1HD2 LEU 48 19.575 12.231 1.415 388 HD23 LEU 48 2HD2 LEU 48 20.391 11.790 2.918 389 HA PRO 49 HA PRO 49 14.478 8.680 2.799 390 HB2 PRO 49 2HB PRO 49 15.940 6.778 4.164 391 HB3 PRO 49 1HB PRO 49 15.862 6.906 2.404 392 HG2 PRO 49 2HG PRO 49 17.961 7.925 4.282 393 HG3 PRO 49 1HG PRO 49 18.156 7.110 2.717 394 HD2 PRO 49 2HD PRO 49 18.413 9.771 2.941 395 HD3 PRO 49 1HD PRO 49 17.661 9.039 1.510 396 H ARG 50 H ARG 50 16.583 9.921 5.340 397 HA ARG 50 HA ARG 50 15.164 9.067 7.602 398 HB2 ARG 50 2HB ARG 50 17.384 10.121 7.715 399 HB3 ARG 50 1HB ARG 50 16.692 11.652 7.198 400 HG2 ARG 50 2HG ARG 50 15.304 11.679 9.251 401 HG3 ARG 50 1HG ARG 50 16.110 10.201 9.777 402 HD2 ARG 50 2HD ARG 50 18.276 11.399 9.691 403 HD3 ARG 50 1HD ARG 50 17.416 12.876 9.265 404 HE ARG 50 HE ARG 50 16.453 11.709 11.691 405 HH11 ARG 50 1HH1 ARG 50 18.918 13.714 10.350 406 HH12 ARG 50 2HH1 ARG 50 19.263 14.486 11.859 407 HH21 ARG 50 1HH2 ARG 50 16.902 12.719 13.623 408 HH22 ARG 50 2HH2 ARG 50 18.147 13.918 13.688 409 H GLY 51 H GLY 51 14.817 12.057 5.700 410 HA2 GLY 51 2HA GLY 51 12.659 13.100 7.252 411 HA3 GLY 51 1HA GLY 51 13.179 13.676 5.676 412 H GLN 52 H GLN 52 12.824 11.225 4.265 413 HA GLN 52 HA GLN 52 10.197 11.490 3.388 414 HB2 GLN 52 2HB GLN 52 12.161 9.217 3.076 415 HB3 GLN 52 1HB GLN 52 10.594 9.233 2.279 416 HG2 GLN 52 2HG GLN 52 11.193 11.263 1.087 417 HG3 GLN 52 1HG GLN 52 12.745 11.312 1.923 418 HE21 GLN 52 1HE2 GLN 52 14.370 9.925 1.287 419 HE22 GLN 52 2HE2 GLN 52 14.289 8.991 -0.160 420 H LYS 53 H LYS 53 8.722 11.389 5.091 421 HA LYS 53 HA LYS 53 8.274 8.718 6.254 422 HB2 LYS 53 2HB LYS 53 7.397 11.467 7.151 423 HB3 LYS 53 1HB LYS 53 6.684 9.996 7.805 424 HG2 LYS 53 2HG LYS 53 8.919 9.279 8.563 425 HG3 LYS 53 1HG LYS 53 9.591 10.796 7.965 426 HD2 LYS 53 2HD LYS 53 7.438 10.566 10.074 427 HD3 LYS 53 1HD LYS 53 9.150 10.816 10.408 428 HE2 LYS 53 2HE LYS 53 7.374 12.679 8.824 429 HE3 LYS 53 1HE LYS 53 7.882 12.916 10.497 430 HZ1 LYS 53 3HZ LYS 53 9.640 12.863 8.103 431 HZ2 LYS 53 1HZ LYS 53 10.201 12.939 9.696 432 HZ3 LYS 53 2HZ LYS 53 9.276 14.202 9.068 433 H LEU 54 H LEU 54 6.927 7.557 5.026 434 HA LEU 54 HA LEU 54 4.768 8.704 3.517 435 HB2 LEU 54 2HB LEU 54 5.403 5.825 4.206 436 HB3 LEU 54 1HB LEU 54 4.135 6.325 3.101 437 HG LEU 54 HG LEU 54 7.087 6.860 2.690 438 HD11 LEU 54 1HD1 LEU 54 6.953 5.159 0.933 439 HD12 LEU 54 2HD1 LEU 54 5.286 4.809 1.394 440 HD13 LEU 54 3HD1 LEU 54 6.602 4.482 2.522 441 HD21 LEU 54 3HD2 LEU 54 5.680 8.546 1.637 442 HD22 LEU 54 1HD2 LEU 54 4.712 7.286 0.869 443 HD23 LEU 54 2HD2 LEU 54 6.405 7.500 0.417 444 H ILE 55 H ILE 55 3.452 9.791 4.950 445 HA ILE 55 HA ILE 55 2.385 8.401 7.284 446 HB ILE 55 HB ILE 55 1.995 11.258 6.361 447 HG12 ILE 55 2HG1 ILE 55 3.810 10.106 8.506 448 HG13 ILE 55 1HG1 ILE 55 4.346 10.661 6.926 449 HG21 ILE 55 1HG2 ILE 55 1.161 11.672 8.626 450 HG22 ILE 55 2HG2 ILE 55 1.343 9.961 9.014 451 HG23 ILE 55 3HG2 ILE 55 0.168 10.469 7.801 452 HD11 ILE 55 3HD1 ILE 55 4.818 12.295 8.649 453 HD12 ILE 55 1HD1 ILE 55 3.106 12.367 9.074 454 HD13 ILE 55 2HD1 ILE 55 3.647 12.932 7.493 455 H PHE 56 H PHE 56 0.696 7.117 6.948 456 HA PHE 56 HA PHE 56 -1.419 7.928 5.047 457 HB2 PHE 56 2HB PHE 56 -0.245 5.805 4.536 458 HB3 PHE 56 1HB PHE 56 -0.723 5.171 6.105 459 HD1 PHE 56 HD1 PHE 56 -2.305 6.721 3.089 460 HD2 PHE 56 HD2 PHE 56 -2.543 3.758 6.146 461 HE1 PHE 56 HE1 PHE 56 -4.361 5.837 2.071 462 HE2 PHE 56 HE2 PHE 56 -4.600 2.872 5.129 463 HZ PHE 56 HZ PHE 56 -5.511 3.910 3.090 464 H LYS 57 H LYS 57 -3.315 8.547 5.904 465 HA LYS 57 HA LYS 57 -5.070 8.853 7.322 466 HB2 LYS 57 2HB LYS 57 -4.120 6.260 8.563 467 HB3 LYS 57 1HB LYS 57 -5.663 7.031 8.899 468 HG2 LYS 57 2HG LYS 57 -4.782 5.977 6.215 469 HG3 LYS 57 1HG LYS 57 -5.873 5.161 7.335 470 HD2 LYS 57 2HD LYS 57 -7.418 7.111 7.156 471 HD3 LYS 57 1HD LYS 57 -6.352 7.792 5.926 472 HE2 LYS 57 2HE LYS 57 -6.731 5.859 4.495 473 HE3 LYS 57 1HE LYS 57 -7.735 5.111 5.739 474 HZ1 LYS 57 3HZ LYS 57 -9.243 7.043 5.538 475 HZ2 LYS 57 1HZ LYS 57 -9.139 6.123 4.119 476 HZ3 LYS 57 2HZ LYS 57 -8.323 7.600 4.236 477 H GLY 58 H GLY 58 -2.250 9.749 8.024 478 HA2 GLY 58 2HA GLY 58 -1.545 11.207 9.731 479 HA3 GLY 58 1HA GLY 58 -2.832 10.604 10.758 480 H LYS 59 H LYS 59 -1.237 8.012 9.405 481 HA LYS 59 HA LYS 59 0.698 7.787 11.623 482 HB2 LYS 59 2HB LYS 59 -1.238 6.438 12.196 483 HB3 LYS 59 1HB LYS 59 -1.220 5.670 10.615 484 HG2 LYS 59 2HG LYS 59 0.953 4.638 11.161 485 HG3 LYS 59 1HG LYS 59 0.884 5.384 12.759 486 HD2 LYS 59 2HD LYS 59 -1.143 4.135 13.279 487 HD3 LYS 59 1HD LYS 59 -1.156 3.444 11.655 488 HE2 LYS 59 2HE LYS 59 -0.274 1.825 13.217 489 HE3 LYS 59 1HE LYS 59 1.017 2.358 12.142 490 HZ1 LYS 59 3HZ LYS 59 0.565 3.302 14.924 491 HZ2 LYS 59 1HZ LYS 59 1.796 3.843 13.896 492 HZ3 LYS 59 2HZ LYS 59 1.776 2.235 14.419 493 H VAL 60 H VAL 60 2.720 7.398 10.917 494 HA VAL 60 HA VAL 60 3.271 6.798 8.169 495 HB VAL 60 HB VAL 60 4.798 8.195 9.508 496 HG11 VAL 60 1HG1 VAL 60 4.591 7.036 11.649 497 HG12 VAL 60 2HG1 VAL 60 6.282 7.200 11.176 498 HG13 VAL 60 3HG1 VAL 60 5.463 5.650 10.995 499 HG21 VAL 60 3HG2 VAL 60 5.663 7.060 7.516 500 HG22 VAL 60 1HG2 VAL 60 6.095 5.657 8.494 501 HG23 VAL 60 2HG2 VAL 60 6.912 7.199 8.754 502 H LEU 61 H LEU 61 3.933 4.881 7.227 503 HA LEU 61 HA LEU 61 3.154 2.464 8.588 504 HB2 LEU 61 2HB LEU 61 4.383 2.853 5.852 505 HB3 LEU 61 1HB LEU 61 3.784 1.328 6.471 506 HG LEU 61 HG LEU 61 2.089 2.112 5.047 507 HD11 LEU 61 1HD1 LEU 61 0.183 2.542 6.492 508 HD12 LEU 61 2HD1 LEU 61 1.262 2.938 7.828 509 HD13 LEU 61 3HD1 LEU 61 1.227 1.297 7.178 510 HD21 LEU 61 3HD2 LEU 61 1.149 4.370 5.126 511 HD22 LEU 61 1HD2 LEU 61 2.871 4.393 4.755 512 HD23 LEU 61 2HD2 LEU 61 2.313 4.812 6.375 513 H VAL 62 H VAL 62 4.438 0.696 9.135 514 HA VAL 62 HA VAL 62 7.048 1.222 10.091 515 HB VAL 62 HB VAL 62 5.727 -1.467 9.631 516 HG11 VAL 62 1HG1 VAL 62 7.282 -2.284 11.353 517 HG12 VAL 62 2HG1 VAL 62 8.057 -0.699 11.398 518 HG13 VAL 62 3HG1 VAL 62 8.134 -1.679 9.932 519 HG21 VAL 62 3HG2 VAL 62 5.085 -1.343 11.996 520 HG22 VAL 62 1HG2 VAL 62 4.365 -0.031 11.063 521 HG23 VAL 62 2HG2 VAL 62 5.762 0.283 12.096 522 H GLU 63 H GLU 63 8.990 1.053 9.130 523 HA GLU 63 HA GLU 63 9.236 0.923 6.362 524 HB2 GLU 63 2HB GLU 63 11.346 0.596 8.496 525 HB3 GLU 63 1HB GLU 63 11.702 0.800 6.784 526 HG2 GLU 63 2HG GLU 63 10.527 2.976 6.835 527 HG3 GLU 63 1HG GLU 63 10.277 2.773 8.567 528 H THR 64 H THR 64 9.440 -1.686 8.695 529 HA THR 64 HA THR 64 10.580 -3.554 6.788 530 HB THR 64 HB THR 64 10.290 -5.257 8.552 531 HG1 THR 64 HG1 THR 64 8.674 -4.838 9.875 532 HG21 THR 64 3HG2 THR 64 11.522 -2.678 9.551 533 HG22 THR 64 1HG2 THR 64 12.323 -3.894 8.555 534 HG23 THR 64 2HG2 THR 64 11.833 -4.285 10.203 535 H SER 65 H SER 65 7.615 -2.267 6.865 536 HA SER 65 HA SER 65 6.182 -4.783 6.280 537 HB2 SER 65 2HB SER 65 5.174 -3.407 8.064 538 HB3 SER 65 1HB SER 65 5.041 -2.050 6.946 539 HG SER 65 HG SER 65 3.135 -2.898 6.582 540 H THR 66 H THR 66 4.922 -4.977 4.411 541 HA THR 66 HA THR 66 5.799 -3.355 2.152 542 HB THR 66 HB THR 66 4.612 -4.965 0.730 543 HG1 THR 66 HG1 THR 66 3.546 -6.755 1.699 544 HG21 THR 66 3HG2 THR 66 6.901 -5.507 1.425 545 HG22 THR 66 1HG2 THR 66 5.928 -6.969 1.246 546 HG23 THR 66 2HG2 THR 66 6.276 -6.332 2.853 547 H LEU 67 H LEU 67 4.207 -2.541 0.555 548 HA LEU 67 HA LEU 67 2.233 -0.891 1.655 549 HB2 LEU 67 2HB LEU 67 2.581 -1.954 -1.152 550 HB3 LEU 67 1HB LEU 67 1.322 -0.813 -0.734 551 HG LEU 67 HG LEU 67 3.133 0.392 -1.741 552 HD11 LEU 67 1HD1 LEU 67 3.137 0.847 1.239 553 HD12 LEU 67 2HD1 LEU 67 1.997 1.526 0.076 554 HD13 LEU 67 3HD1 LEU 67 3.696 1.989 0.016 555 HD21 LEU 67 3HD2 LEU 67 4.941 -1.189 -1.363 556 HD22 LEU 67 1HD2 LEU 67 4.934 -0.813 0.362 557 HD23 LEU 67 2HD2 LEU 67 5.395 0.423 -0.811 558 H LYS 68 H LYS 68 1.950 -4.082 0.157 559 HA LYS 68 HA LYS 68 -0.836 -4.356 0.236 560 HB2 LYS 68 2HB LYS 68 0.568 -5.794 -1.108 561 HB3 LYS 68 1HB LYS 68 1.347 -6.445 0.321 562 HG2 LYS 68 2HG LYS 68 -0.543 -7.686 0.929 563 HG3 LYS 68 1HG LYS 68 -1.603 -6.758 -0.137 564 HD2 LYS 68 2HD LYS 68 -0.711 -7.773 -2.082 565 HD3 LYS 68 1HD LYS 68 0.674 -8.421 -1.206 566 HE2 LYS 68 2HE LYS 68 -2.179 -9.278 -0.717 567 HE3 LYS 68 1HE LYS 68 -1.065 -10.115 -1.800 568 HZ1 LYS 68 3HZ LYS 68 -1.122 -11.132 0.396 569 HZ2 LYS 68 1HZ LYS 68 -0.629 -9.680 1.105 570 HZ3 LYS 68 2HZ LYS 68 0.411 -10.506 0.061 571 H GLN 69 H GLN 69 1.596 -5.396 2.652 572 HA GLN 69 HA GLN 69 -0.260 -6.460 4.511 573 HB2 GLN 69 2HB GLN 69 2.537 -5.370 4.833 574 HB3 GLN 69 1HB GLN 69 1.624 -6.025 6.186 575 HG2 GLN 69 2HG GLN 69 1.528 -8.191 5.152 576 HG3 GLN 69 1HG GLN 69 2.259 -7.566 3.674 577 HE21 GLN 69 1HE2 GLN 69 4.444 -7.153 3.627 578 HE22 GLN 69 2HE2 GLN 69 5.528 -7.718 4.849 579 H SER 70 H SER 70 1.020 -3.217 4.036 580 HA SER 70 HA SER 70 -0.212 -2.128 6.404 581 HB2 SER 70 2HB SER 70 0.998 -0.679 4.029 582 HB3 SER 70 1HB SER 70 0.647 0.015 5.613 583 HG SER 70 HG SER 70 2.768 -1.550 4.799 584 H ASP 71 H ASP 71 -1.563 -3.199 3.643 585 HA ASP 71 HA ASP 71 -3.515 -2.904 2.541 586 HB2 ASP 71 2HB ASP 71 -4.148 -1.380 5.066 587 HB3 ASP 71 1HB ASP 71 -5.334 -1.623 3.786 588 H VAL 72 H VAL 72 -1.273 -0.805 2.397 589 HA VAL 72 HA VAL 72 -2.726 1.474 1.300 590 HB VAL 72 HB VAL 72 0.256 0.916 1.346 591 HG11 VAL 72 1HG1 VAL 72 0.522 3.290 0.807 592 HG12 VAL 72 2HG1 VAL 72 -1.230 3.470 0.700 593 HG13 VAL 72 3HG1 VAL 72 -0.374 2.447 -0.457 594 HG21 VAL 72 3HG2 VAL 72 -0.664 1.150 3.601 595 HG22 VAL 72 1HG2 VAL 72 -1.402 2.688 3.149 596 HG23 VAL 72 2HG2 VAL 72 0.355 2.528 3.186 597 H GLY 73 H GLY 73 -3.828 0.562 -0.453 598 HA2 GLY 73 2HA GLY 73 -2.140 -0.601 -2.597 599 HA3 GLY 73 1HA GLY 73 -3.789 -1.105 -2.272 600 H SER 74 H SER 74 -4.412 -0.702 -4.401 601 HA SER 74 HA SER 74 -3.963 1.707 -5.794 602 HB2 SER 74 2HB SER 74 -4.611 -0.423 -6.887 603 HB3 SER 74 1HB SER 74 -6.226 -0.267 -6.197 604 HG SER 74 HG SER 74 -6.585 0.746 -8.014 605 H GLY 75 H GLY 75 -4.643 3.642 -5.167 606 HA2 GLY 75 2HA GLY 75 -6.549 5.163 -5.129 607 HA3 GLY 75 1HA GLY 75 -7.439 3.947 -4.229 608 H ALA 76 H ALA 76 -4.586 3.669 -2.815 609 HA ALA 76 HA ALA 76 -5.327 5.194 -0.510 610 HB1 ALA 76 3HB ALA 76 -4.163 3.045 -0.337 611 HB2 ALA 76 1HB ALA 76 -3.276 4.333 0.482 612 HB3 ALA 76 2HB ALA 76 -2.738 3.757 -1.097 613 H LYS 77 H LYS 77 -4.558 7.105 0.262 614 HA LYS 77 HA LYS 77 -2.850 8.688 -1.554 615 HB2 LYS 77 2HB LYS 77 -4.899 9.593 0.484 616 HB3 LYS 77 1HB LYS 77 -3.943 10.664 -0.536 617 HG2 LYS 77 2HG LYS 77 -5.024 9.864 -2.514 618 HG3 LYS 77 1HG LYS 77 -5.836 8.583 -1.616 619 HD2 LYS 77 2HD LYS 77 -7.410 10.350 -2.073 620 HD3 LYS 77 1HD LYS 77 -7.081 10.310 -0.344 621 HE2 LYS 77 2HE LYS 77 -5.641 12.177 -2.216 622 HE3 LYS 77 1HE LYS 77 -7.180 12.600 -1.474 623 HZ1 LYS 77 3HZ LYS 77 -5.371 13.489 -0.197 624 HZ2 LYS 77 1HZ LYS 77 -4.660 11.963 -0.030 625 HZ3 LYS 77 2HZ LYS 77 -6.144 12.290 0.707 626 H LEU 78 H LEU 78 -0.791 8.581 -0.833 627 HA LEU 78 HA LEU 78 -0.202 8.500 2.018 628 HB2 LEU 78 2HB LEU 78 1.574 8.276 -0.416 629 HB3 LEU 78 1HB LEU 78 2.160 8.186 1.235 630 HG LEU 78 HG LEU 78 0.217 6.246 -0.041 631 HD11 LEU 78 1HD1 LEU 78 3.133 5.923 0.690 632 HD12 LEU 78 2HD1 LEU 78 2.472 6.016 -0.943 633 HD13 LEU 78 3HD1 LEU 78 2.072 4.646 0.093 634 HD21 LEU 78 3HD2 LEU 78 1.503 6.246 2.696 635 HD22 LEU 78 1HD2 LEU 78 0.557 4.924 2.014 636 HD23 LEU 78 2HD2 LEU 78 -0.209 6.475 2.341 637 H MET 79 H MET 79 0.440 10.173 3.201 638 HA MET 79 HA MET 79 1.096 12.728 1.939 639 HB2 MET 79 2HB MET 79 -0.473 12.782 3.790 640 HB3 MET 79 1HB MET 79 0.653 11.919 4.826 641 HG2 MET 79 2HG MET 79 2.171 13.831 4.780 642 HG3 MET 79 1HG MET 79 1.049 14.700 3.731 643 HE1 MET 79 3HE MET 79 0.752 16.547 7.205 644 HE2 MET 79 1HE MET 79 1.176 16.717 5.501 645 HE3 MET 79 2HE MET 79 2.209 15.776 6.578 646 H LEU 80 H LEU 80 3.186 12.886 1.282 647 HA LEU 80 HA LEU 80 5.275 11.543 2.852 648 HB2 LEU 80 2HB LEU 80 5.178 10.962 0.495 649 HB3 LEU 80 1HB LEU 80 5.319 12.652 0.043 650 HG LEU 80 HG LEU 80 7.603 12.714 0.976 651 HD11 LEU 80 1HD1 LEU 80 7.381 11.034 2.717 652 HD12 LEU 80 2HD1 LEU 80 8.716 10.627 1.638 653 HD13 LEU 80 3HD1 LEU 80 7.180 9.772 1.501 654 HD21 LEU 80 3HD2 LEU 80 7.259 12.168 -1.390 655 HD22 LEU 80 1HD2 LEU 80 7.185 10.454 -0.981 656 HD23 LEU 80 2HD2 LEU 80 8.680 11.358 -0.734 657 H MET 81 H MET 81 6.327 12.739 4.294 658 HA MET 81 HA MET 81 6.650 15.601 4.003 659 HB2 MET 81 2HB MET 81 6.338 14.682 6.237 660 HB3 MET 81 1HB MET 81 7.758 13.659 6.048 661 HG2 MET 81 2HG MET 81 9.160 15.680 5.887 662 HG3 MET 81 1HG MET 81 7.727 16.671 6.161 663 HE1 MET 81 3HE MET 81 9.801 16.946 9.518 664 HE2 MET 81 1HE MET 81 9.068 17.856 8.196 665 HE3 MET 81 2HE MET 81 10.446 16.802 7.883 666 H ALA 82 H ALA 82 8.098 16.362 2.578 667 HA ALA 82 HA ALA 82 10.785 15.138 2.518 668 HB1 ALA 82 3HB ALA 82 9.242 16.119 0.113 669 HB2 ALA 82 1HB ALA 82 9.583 14.435 0.513 670 HB3 ALA 82 2HB ALA 82 10.903 15.529 0.100 671 H SER 83 H SER 83 12.503 16.536 2.446 672 HA SER 83 HA SER 83 12.028 19.281 3.142 673 HB2 SER 83 2HB SER 83 14.504 19.457 3.227 674 HB3 SER 83 1HB SER 83 13.904 18.080 4.150 675 HG SER 83 HG SER 83 15.157 18.087 1.605 676 H GLN 84 H GLN 84 10.999 20.208 1.359 677 HA GLN 84 HA GLN 84 12.283 20.211 -1.248 678 HB2 GLN 84 2HB GLN 84 9.768 20.175 -0.838 679 HB3 GLN 84 1HB GLN 84 9.905 21.852 -0.339 680 HG2 GLN 84 2HG GLN 84 10.680 20.829 -3.071 681 HG3 GLN 84 1HG GLN 84 9.108 21.513 -2.678 682 HE21 GLN 84 1HE2 GLN 84 8.982 23.742 -2.175 683 HE22 GLN 84 2HE2 GLN 84 10.210 24.841 -2.689 684 H GLY 85 H GLY 85 11.178 22.856 0.901 685 HA2 GLY 85 2HA GLY 85 13.041 24.434 1.600 686 HA3 GLY 85 1HA GLY 85 13.431 24.493 -0.112 Start of MODEL 5 1 H1 MET 1 1H MET 1 14.943 -16.453 -1.665 2 H2 MET 1 2H MET 1 15.892 -16.515 -0.271 3 H3 MET 1 3H MET 1 15.669 -15.043 -1.072 4 HA MET 1 HA MET 1 13.530 -16.626 0.234 5 HB2 MET 1 2HB MET 1 13.503 -14.882 1.965 6 HB3 MET 1 1HB MET 1 15.063 -15.685 1.896 7 HG2 MET 1 2HG MET 1 16.013 -13.801 0.695 8 HG3 MET 1 1HG MET 1 14.440 -13.006 0.665 9 HE1 MET 1 3HE MET 1 16.984 -11.460 1.715 10 HE2 MET 1 1HE MET 1 16.339 -10.722 3.180 11 HE3 MET 1 2HE MET 1 15.353 -10.789 1.720 12 H GLY 2 H GLY 2 11.500 -16.046 -0.289 13 HA2 GLY 2 2HA GLY 2 9.732 -14.873 -1.184 14 HA3 GLY 2 1HA GLY 2 10.721 -13.427 -1.096 15 H HIS 3 H HIS 3 9.511 -12.986 -3.147 16 HA HIS 3 HA HIS 3 10.601 -14.408 -5.490 17 HB2 HIS 3 2HB HIS 3 8.251 -12.501 -5.287 18 HB3 HIS 3 1HB HIS 3 8.745 -13.370 -6.738 19 HD1 HIS 3 HD1 HIS 3 6.877 -13.771 -3.558 20 HD2 HIS 3 HD2 HIS 3 8.220 -16.185 -6.666 21 HE1 HIS 3 HE1 HIS 3 5.653 -15.945 -3.299 22 HE2 HIS 3 HE2 HIS 3 6.534 -17.419 -5.134 23 H HIS 4 H HIS 4 12.440 -12.805 -4.296 24 HA HIS 4 HA HIS 4 12.468 -10.102 -5.163 25 HB2 HIS 4 2HB HIS 4 13.762 -10.856 -3.229 26 HB3 HIS 4 1HB HIS 4 14.741 -11.891 -4.262 27 HD1 HIS 4 HD1 HIS 4 16.851 -10.895 -5.092 28 HD2 HIS 4 HD2 HIS 4 14.135 -7.986 -3.895 29 HE1 HIS 4 HE1 HIS 4 18.077 -8.714 -5.272 30 HE2 HIS 4 HE2 HIS 4 16.476 -6.999 -4.372 31 H HIS 5 H HIS 5 13.928 -13.053 -6.508 32 HA HIS 5 HA HIS 5 15.470 -11.722 -8.496 33 HB2 HIS 5 2HB HIS 5 15.955 -14.009 -7.625 34 HB3 HIS 5 1HB HIS 5 14.533 -14.603 -8.471 35 HD1 HIS 5 HD1 HIS 5 18.088 -13.786 -8.939 36 HD2 HIS 5 HD2 HIS 5 14.799 -14.584 -11.352 37 HE1 HIS 5 HE1 HIS 5 19.026 -14.285 -11.210 38 HE2 HIS 5 HE2 HIS 5 17.021 -14.669 -12.677 39 H HIS 6 H HIS 6 14.086 -10.291 -9.612 40 HA HIS 6 HA HIS 6 12.691 -11.550 -11.836 41 HB2 HIS 6 2HB HIS 6 10.605 -10.326 -11.549 42 HB3 HIS 6 1HB HIS 6 10.914 -11.296 -10.115 43 HD1 HIS 6 HD1 HIS 6 11.709 -9.958 -7.956 44 HD2 HIS 6 HD2 HIS 6 10.358 -7.616 -11.110 45 HE1 HIS 6 HE1 HIS 6 11.280 -7.690 -6.972 46 HE2 HIS 6 HE2 HIS 6 10.410 -6.301 -8.882 47 H HIS 7 H HIS 7 12.695 -10.313 -13.693 48 HA HIS 7 HA HIS 7 14.172 -7.774 -13.581 49 HB2 HIS 7 2HB HIS 7 13.502 -9.584 -15.915 50 HB3 HIS 7 1HB HIS 7 14.351 -8.047 -16.066 51 HD1 HIS 7 HD1 HIS 7 16.795 -7.947 -15.230 52 HD2 HIS 7 HD2 HIS 7 15.031 -11.690 -14.859 53 HE1 HIS 7 HE1 HIS 7 18.675 -9.528 -14.730 54 HE2 HIS 7 HE2 HIS 7 17.606 -11.801 -14.667 55 H HIS 8 H HIS 8 11.096 -9.111 -14.753 56 HA HIS 8 HA HIS 8 10.147 -6.343 -15.149 57 HB2 HIS 8 2HB HIS 8 8.379 -7.296 -16.607 58 HB3 HIS 8 1HB HIS 8 10.000 -7.608 -17.209 59 HD1 HIS 8 HD1 HIS 8 10.796 -10.079 -17.239 60 HD2 HIS 8 HD2 HIS 8 6.903 -9.568 -15.887 61 HE1 HIS 8 HE1 HIS 8 9.782 -12.369 -17.239 62 HE2 HIS 8 HE2 HIS 8 7.382 -12.004 -16.596 63 H SER 9 H SER 9 9.008 -5.605 -13.494 64 HA SER 9 HA SER 9 7.778 -7.332 -11.554 65 HB2 SER 9 2HB SER 9 7.703 -4.317 -11.863 66 HB3 SER 9 1HB SER 9 7.041 -5.198 -10.486 67 HG SER 9 HG SER 9 9.063 -4.629 -9.879 68 H HIS 10 H HIS 10 5.674 -7.873 -11.305 69 HA HIS 10 HA HIS 10 3.692 -6.700 -13.149 70 HB2 HIS 10 2HB HIS 10 2.715 -8.943 -13.501 71 HB3 HIS 10 1HB HIS 10 4.369 -8.838 -14.094 72 HD1 HIS 10 HD1 HIS 10 2.245 -11.011 -12.236 73 HD2 HIS 10 HD2 HIS 10 6.257 -9.949 -12.004 74 HE1 HIS 10 HE1 HIS 10 3.349 -12.828 -10.905 75 HE2 HIS 10 HE2 HIS 10 5.734 -12.084 -10.646 76 H SER 11 H SER 11 1.455 -6.972 -12.484 77 HA SER 11 HA SER 11 -0.244 -6.678 -11.014 78 HB2 SER 11 2HB SER 11 0.351 -9.003 -10.297 79 HB3 SER 11 1HB SER 11 1.381 -8.313 -9.043 80 HG SER 11 HG SER 11 -0.371 -7.575 -7.977 81 H THR 12 H THR 12 0.060 -4.466 -10.860 82 HA THR 12 HA THR 12 1.567 -3.484 -8.506 83 HB THR 12 HB THR 12 1.905 -1.367 -9.742 84 HG1 THR 12 HG1 THR 12 1.349 -1.266 -11.948 85 HG21 THR 12 3HG2 THR 12 3.666 -3.053 -9.841 86 HG22 THR 12 1HG2 THR 12 3.554 -2.198 -11.379 87 HG23 THR 12 2HG2 THR 12 2.882 -3.821 -11.223 88 H ILE 13 H ILE 13 0.712 -1.685 -7.356 89 HA ILE 13 HA ILE 13 -2.157 -1.149 -7.820 90 HB ILE 13 HB ILE 13 -2.308 -0.495 -5.445 91 HG12 ILE 13 2HG1 ILE 13 0.540 -1.527 -5.229 92 HG13 ILE 13 1HG1 ILE 13 0.070 0.166 -5.133 93 HG21 ILE 13 1HG2 ILE 13 -2.154 -2.755 -4.495 94 HG22 ILE 13 2HG2 ILE 13 -1.203 -3.273 -5.884 95 HG23 ILE 13 3HG2 ILE 13 -2.878 -2.769 -6.103 96 HD11 ILE 13 3HD1 ILE 13 0.472 -0.748 -2.929 97 HD12 ILE 13 1HD1 ILE 13 -0.730 -2.008 -3.210 98 HD13 ILE 13 2HD1 ILE 13 -1.228 -0.318 -3.115 99 H LYS 14 H LYS 14 -2.895 1.062 -7.247 100 HA LYS 14 HA LYS 14 -1.092 3.027 -8.396 101 HB2 LYS 14 2HB LYS 14 -3.961 3.328 -7.475 102 HB3 LYS 14 1HB LYS 14 -3.052 4.506 -8.409 103 HG2 LYS 14 2HG LYS 14 -2.912 2.928 -10.277 104 HG3 LYS 14 1HG LYS 14 -3.806 1.734 -9.332 105 HD2 LYS 14 2HD LYS 14 -5.725 3.284 -9.222 106 HD3 LYS 14 1HD LYS 14 -4.829 4.443 -10.208 107 HE2 LYS 14 2HE LYS 14 -4.749 2.833 -12.043 108 HE3 LYS 14 1HE LYS 14 -5.610 1.650 -11.056 109 HZ1 LYS 14 3HZ LYS 14 -7.120 2.750 -12.555 110 HZ2 LYS 14 1HZ LYS 14 -6.670 4.271 -11.968 111 HZ3 LYS 14 2HZ LYS 14 -7.495 3.184 -10.967 112 H LEU 15 H LEU 15 0.363 3.922 -7.050 113 HA LEU 15 HA LEU 15 -0.454 4.771 -4.354 114 HB2 LEU 15 2HB LEU 15 2.277 4.700 -5.660 115 HB3 LEU 15 1HB LEU 15 1.973 5.305 -4.046 116 HG LEU 15 HG LEU 15 2.860 3.130 -3.794 117 HD11 LEU 15 1HD1 LEU 15 0.983 3.637 -2.318 118 HD12 LEU 15 2HD1 LEU 15 1.082 1.913 -2.674 119 HD13 LEU 15 3HD1 LEU 15 -0.132 2.911 -3.478 120 HD21 LEU 15 3HD2 LEU 15 1.937 1.143 -4.881 121 HD22 LEU 15 1HD2 LEU 15 2.527 2.312 -6.062 122 HD23 LEU 15 2HD2 LEU 15 0.795 2.154 -5.768 123 H THR 16 H THR 16 -0.475 6.904 -3.718 124 HA THR 16 HA THR 16 0.307 8.941 -5.717 125 HB THR 16 HB THR 16 -2.077 9.166 -3.851 126 HG1 THR 16 HG1 THR 16 -2.895 7.946 -5.416 127 HG21 THR 16 3HG2 THR 16 -2.592 11.202 -5.144 128 HG22 THR 16 1HG2 THR 16 -1.091 11.001 -6.047 129 HG23 THR 16 2HG2 THR 16 -1.042 11.332 -4.317 130 H VAL 17 H VAL 17 2.293 9.337 -4.741 131 HA VAL 17 HA VAL 17 2.469 9.878 -1.893 132 HB VAL 17 HB VAL 17 4.596 10.097 -4.040 133 HG11 VAL 17 1HG1 VAL 17 4.862 10.064 -1.028 134 HG12 VAL 17 2HG1 VAL 17 5.114 11.462 -2.075 135 HG13 VAL 17 3HG1 VAL 17 6.195 10.073 -2.184 136 HG21 VAL 17 3HG2 VAL 17 3.771 7.813 -3.828 137 HG22 VAL 17 1HG2 VAL 17 4.010 7.868 -2.081 138 HG23 VAL 17 2HG2 VAL 17 5.400 7.939 -3.166 139 H LYS 18 H LYS 18 1.845 11.813 -1.134 140 HA LYS 18 HA LYS 18 1.923 14.127 -2.926 141 HB2 LYS 18 2HB LYS 18 0.495 13.820 -0.278 142 HB3 LYS 18 1HB LYS 18 0.310 15.147 -1.420 143 HG2 LYS 18 2HG LYS 18 -0.518 13.472 -3.100 144 HG3 LYS 18 1HG LYS 18 -0.502 12.270 -1.809 145 HD2 LYS 18 2HD LYS 18 -2.719 13.007 -1.842 146 HD3 LYS 18 1HD LYS 18 -2.002 13.927 -0.520 147 HE2 LYS 18 2HE LYS 18 -2.428 14.938 -3.340 148 HE3 LYS 18 1HE LYS 18 -3.443 15.319 -1.952 149 HZ1 LYS 18 3HZ LYS 18 -1.501 16.356 -0.904 150 HZ2 LYS 18 1HZ LYS 18 -1.915 17.100 -2.366 151 HZ3 LYS 18 2HZ LYS 18 -0.590 16.055 -2.298 152 H PHE 19 H PHE 19 3.827 15.144 -2.829 153 HA PHE 19 HA PHE 19 5.297 15.556 -0.383 154 HB2 PHE 19 2HB PHE 19 5.662 16.383 -3.246 155 HB3 PHE 19 1HB PHE 19 6.603 17.184 -1.999 156 HD1 PHE 19 HD2 PHE 19 6.024 14.025 -3.774 157 HD2 PHE 19 HD1 PHE 19 8.366 16.026 -0.829 158 HE1 PHE 19 HE2 PHE 19 7.690 12.217 -3.868 159 HE2 PHE 19 HE1 PHE 19 10.032 14.220 -0.920 160 HZ PHE 19 HZ PHE 19 9.694 12.311 -2.441 161 H GLY 20 H GLY 20 3.843 16.722 0.971 162 HA2 GLY 20 2HA GLY 20 2.921 18.622 1.903 163 HA3 GLY 20 1HA GLY 20 4.345 19.397 1.238 164 H GLY 21 H GLY 21 1.603 18.024 -0.566 165 HA2 GLY 21 2HA GLY 21 -0.187 19.658 -1.266 166 HA3 GLY 21 1HA GLY 21 1.135 20.733 -1.684 167 H LYS 22 H LYS 22 2.735 18.441 -2.739 168 HA LYS 22 HA LYS 22 1.738 18.446 -5.435 169 HB2 LYS 22 2HB LYS 22 3.971 16.776 -4.248 170 HB3 LYS 22 1HB LYS 22 3.697 17.087 -5.956 171 HG2 LYS 22 2HG LYS 22 4.429 19.163 -3.894 172 HG3 LYS 22 1HG LYS 22 5.542 18.414 -5.038 173 HD2 LYS 22 2HD LYS 22 4.197 19.349 -6.902 174 HD3 LYS 22 1HD LYS 22 3.161 20.152 -5.720 175 HE2 LYS 22 2HE LYS 22 5.088 21.418 -4.887 176 HE3 LYS 22 1HE LYS 22 6.132 20.605 -6.052 177 HZ1 LYS 22 3HZ LYS 22 4.819 21.593 -7.836 178 HZ2 LYS 22 1HZ LYS 22 5.502 22.779 -6.843 179 HZ3 LYS 22 2HZ LYS 22 3.859 22.399 -6.702 180 H SER 23 H SER 23 1.502 16.367 -6.693 181 HA SER 23 HA SER 23 0.675 14.051 -5.068 182 HB2 SER 23 2HB SER 23 -1.198 13.595 -6.617 183 HB3 SER 23 1HB SER 23 -1.392 15.141 -5.795 184 HG SER 23 HG SER 23 -0.271 14.884 -8.396 185 H ILE 24 H ILE 24 2.466 12.817 -5.492 186 HA ILE 24 HA ILE 24 3.425 12.511 -8.238 187 HB ILE 24 HB ILE 24 4.540 11.254 -5.720 188 HG12 ILE 24 2HG1 ILE 24 4.590 13.697 -5.508 189 HG13 ILE 24 1HG1 ILE 24 6.215 13.064 -5.726 190 HG21 ILE 24 1HG2 ILE 24 5.245 10.118 -7.743 191 HG22 ILE 24 2HG2 ILE 24 6.600 11.014 -7.057 192 HG23 ILE 24 3HG2 ILE 24 5.746 11.649 -8.464 193 HD11 ILE 24 3HD1 ILE 24 6.158 13.742 -8.071 194 HD12 ILE 24 1HD1 ILE 24 5.887 15.103 -6.982 195 HD13 ILE 24 2HD1 ILE 24 4.528 14.380 -7.845 196 HA PRO 25 HA PRO 25 0.944 8.709 -8.403 197 HB2 PRO 25 2HB PRO 25 1.471 8.728 -11.267 198 HB3 PRO 25 1HB PRO 25 -0.055 8.999 -10.420 199 HG2 PRO 25 2HG PRO 25 1.267 10.964 -11.772 200 HG3 PRO 25 1HG PRO 25 0.227 11.282 -10.372 201 HD2 PRO 25 2HD PRO 25 3.221 11.067 -10.502 202 HD3 PRO 25 1HD PRO 25 2.214 12.248 -9.635 203 H LEU 26 H LEU 26 1.762 6.752 -7.983 204 HA LEU 26 HA LEU 26 4.068 5.757 -9.535 205 HB2 LEU 26 2HB LEU 26 3.644 5.440 -6.556 206 HB3 LEU 26 1HB LEU 26 4.874 4.597 -7.477 207 HG LEU 26 HG LEU 26 4.717 7.595 -7.091 208 HD11 LEU 26 1HD1 LEU 26 6.687 7.314 -5.678 209 HD12 LEU 26 2HD1 LEU 26 6.603 5.566 -5.891 210 HD13 LEU 26 3HD1 LEU 26 5.314 6.414 -5.036 211 HD21 LEU 26 3HD2 LEU 26 5.717 6.980 -9.247 212 HD22 LEU 26 1HD2 LEU 26 6.848 5.908 -8.420 213 HD23 LEU 26 2HD2 LEU 26 6.921 7.648 -8.148 214 H SER 27 H SER 27 4.210 3.389 -9.629 215 HA SER 27 HA SER 27 1.821 1.904 -8.797 216 HB2 SER 27 2HB SER 27 2.869 1.864 -11.643 217 HB3 SER 27 1HB SER 27 1.569 0.853 -11.011 218 HG SER 27 HG SER 27 0.886 3.302 -10.411 219 H VAL 28 H VAL 28 2.863 0.579 -7.384 220 HA VAL 28 HA VAL 28 4.964 -1.183 -8.475 221 HB VAL 28 HB VAL 28 6.129 -1.151 -6.284 222 HG11 VAL 28 1HG1 VAL 28 6.894 0.273 -8.146 223 HG12 VAL 28 2HG1 VAL 28 7.238 0.986 -6.571 224 HG13 VAL 28 3HG1 VAL 28 5.890 1.591 -7.534 225 HG21 VAL 28 3HG2 VAL 28 5.636 0.642 -4.671 226 HG22 VAL 28 1HG2 VAL 28 4.275 -0.465 -4.858 227 HG23 VAL 28 2HG2 VAL 28 4.238 1.117 -5.636 228 H SER 29 H SER 29 5.393 -3.014 -6.728 229 HA SER 29 HA SER 29 2.926 -4.460 -6.500 230 HB2 SER 29 2HB SER 29 4.917 -5.714 -7.028 231 HB3 SER 29 1HB SER 29 5.738 -5.120 -5.587 232 HG SER 29 HG SER 29 4.112 -7.250 -5.852 233 HA PRO 30 HA PRO 30 1.807 -3.134 -2.382 234 HB2 PRO 30 2HB PRO 30 0.075 -5.155 -1.768 235 HB3 PRO 30 1HB PRO 30 -0.336 -3.822 -2.853 236 HG2 PRO 30 2HG PRO 30 0.579 -6.599 -3.531 237 HG3 PRO 30 1HG PRO 30 -0.730 -5.647 -4.256 238 HD2 PRO 30 2HD PRO 30 1.685 -5.880 -5.434 239 HD3 PRO 30 1HD PRO 30 0.732 -4.384 -5.539 240 H ASP 31 H ASP 31 3.413 -6.091 -3.109 241 HA ASP 31 HA ASP 31 3.887 -6.711 -0.284 242 HB2 ASP 31 2HB ASP 31 4.410 -8.218 -2.842 243 HB3 ASP 31 1HB ASP 31 5.083 -8.737 -1.297 244 H CYS 32 H CYS 32 5.245 -4.675 -2.457 245 HA CYS 32 HA CYS 32 8.015 -5.074 -1.710 246 HB2 CYS 32 2HB CYS 32 6.596 -2.792 -3.105 247 HB3 CYS 32 1HB CYS 32 8.317 -2.774 -2.744 248 HG CYS 32 HG CYS 32 8.935 -3.785 -5.006 249 H THR 33 H THR 33 9.138 -4.025 -0.080 250 HA THR 33 HA THR 33 7.657 -2.885 2.078 251 HB THR 33 HB THR 33 9.854 -2.378 3.099 252 HG1 THR 33 HG1 THR 33 10.721 -2.233 0.663 253 HG21 THR 33 3HG2 THR 33 10.702 -4.682 3.250 254 HG22 THR 33 1HG2 THR 33 9.724 -5.135 1.855 255 HG23 THR 33 2HG2 THR 33 8.942 -4.638 3.357 256 H VAL 34 H VAL 34 7.301 -0.781 2.639 257 HA VAL 34 HA VAL 34 7.213 1.187 0.666 258 HB VAL 34 HB VAL 34 6.700 2.786 2.440 259 HG11 VAL 34 1HG1 VAL 34 4.948 1.244 1.701 260 HG12 VAL 34 2HG1 VAL 34 4.768 1.627 3.413 261 HG13 VAL 34 3HG1 VAL 34 5.446 0.074 2.924 262 HG21 VAL 34 3HG2 VAL 34 8.382 2.127 4.077 263 HG22 VAL 34 1HG2 VAL 34 7.552 0.594 4.343 264 HG23 VAL 34 2HG2 VAL 34 6.777 2.109 4.807 265 H LYS 35 H LYS 35 9.843 0.316 2.753 266 HA LYS 35 HA LYS 35 11.468 2.576 2.627 267 HB2 LYS 35 2HB LYS 35 12.037 0.735 4.054 268 HB3 LYS 35 1HB LYS 35 12.132 -0.371 2.696 269 HG2 LYS 35 2HG LYS 35 14.157 0.610 1.928 270 HG3 LYS 35 1HG LYS 35 14.002 1.964 3.049 271 HD2 LYS 35 2HD LYS 35 15.657 0.199 3.736 272 HD3 LYS 35 1HD LYS 35 14.413 0.561 4.934 273 HE2 LYS 35 2HE LYS 35 14.799 -1.847 4.758 274 HE3 LYS 35 1HE LYS 35 13.164 -1.431 4.249 275 HZ1 LYS 35 3HZ LYS 35 13.874 -1.596 1.949 276 HZ2 LYS 35 1HZ LYS 35 14.198 -3.039 2.769 277 HZ3 LYS 35 2HZ LYS 35 15.450 -1.961 2.432 278 H ASP 36 H ASP 36 10.934 0.037 0.238 279 HA ASP 36 HA ASP 36 12.987 0.770 -1.562 280 HB2 ASP 36 2HB ASP 36 11.765 -1.419 -1.583 281 HB3 ASP 36 1HB ASP 36 10.361 -0.581 -2.235 282 H LEU 37 H LEU 37 9.701 1.935 -1.085 283 HA LEU 37 HA LEU 37 9.390 3.467 -3.401 284 HB2 LEU 37 2HB LEU 37 8.356 3.861 -0.599 285 HB3 LEU 37 1HB LEU 37 7.933 4.952 -1.906 286 HG LEU 37 HG LEU 37 7.353 1.982 -1.882 287 HD11 LEU 37 1HD1 LEU 37 6.020 3.156 -0.210 288 HD12 LEU 37 2HD1 LEU 37 5.019 2.632 -1.562 289 HD13 LEU 37 3HD1 LEU 37 5.500 4.323 -1.427 290 HD21 LEU 37 3HD2 LEU 37 5.991 2.460 -3.852 291 HD22 LEU 37 1HD2 LEU 37 7.676 2.903 -4.131 292 HD23 LEU 37 2HD2 LEU 37 6.481 4.155 -3.794 293 H LYS 38 H LYS 38 11.022 4.267 -0.347 294 HA LYS 38 HA LYS 38 11.762 6.909 -0.989 295 HB2 LYS 38 2HB LYS 38 13.240 4.869 0.691 296 HB3 LYS 38 1HB LYS 38 13.600 6.588 0.649 297 HG2 LYS 38 2HG LYS 38 11.328 7.050 1.525 298 HG3 LYS 38 1HG LYS 38 11.058 5.307 1.652 299 HD2 LYS 38 2HD LYS 38 12.926 5.105 3.204 300 HD3 LYS 38 1HD LYS 38 13.283 6.824 3.029 301 HE2 LYS 38 2HE LYS 38 11.016 7.316 3.960 302 HE3 LYS 38 1HE LYS 38 10.822 5.590 4.267 303 HZ1 LYS 38 3HZ LYS 38 12.887 7.373 5.437 304 HZ2 LYS 38 1HZ LYS 38 12.834 5.697 5.658 305 HZ3 LYS 38 2HZ LYS 38 11.584 6.668 6.250 306 H SER 39 H SER 39 13.349 3.804 -1.625 307 HA SER 39 HA SER 39 15.688 4.773 -2.866 308 HB2 SER 39 2HB SER 39 15.535 2.454 -2.153 309 HB3 SER 39 1HB SER 39 14.201 2.158 -3.268 310 HG SER 39 HG SER 39 15.689 1.629 -4.641 311 H GLN 40 H GLN 40 12.436 4.502 -4.031 312 HA GLN 40 HA GLN 40 13.183 4.882 -6.822 313 HB2 GLN 40 2HB GLN 40 10.469 4.789 -5.485 314 HB3 GLN 40 1HB GLN 40 10.738 4.884 -7.222 315 HG2 GLN 40 2HG GLN 40 11.844 2.718 -7.192 316 HG3 GLN 40 1HG GLN 40 11.639 2.622 -5.443 317 HE21 GLN 40 1HE2 GLN 40 8.972 3.798 -5.519 318 HE22 GLN 40 2HE2 GLN 40 7.931 2.574 -6.133 319 H LEU 41 H LEU 41 11.532 6.725 -4.266 320 HA LEU 41 HA LEU 41 11.026 9.029 -5.826 321 HB2 LEU 41 2HB LEU 41 11.241 8.665 -2.835 322 HB3 LEU 41 1HB LEU 41 10.712 10.153 -3.600 323 HG LEU 41 HG LEU 41 9.309 7.482 -3.846 324 HD11 LEU 41 1HD1 LEU 41 9.120 8.367 -1.590 325 HD12 LEU 41 2HD1 LEU 41 7.576 8.492 -2.433 326 HD13 LEU 41 3HD1 LEU 41 8.585 9.926 -2.224 327 HD21 LEU 41 3HD2 LEU 41 9.003 8.883 -5.822 328 HD22 LEU 41 1HD2 LEU 41 8.504 10.234 -4.804 329 HD23 LEU 41 2HD2 LEU 41 7.508 8.780 -4.892 330 H GLN 42 H GLN 42 13.799 8.151 -3.781 331 HA GLN 42 HA GLN 42 14.964 10.634 -3.461 332 HB2 GLN 42 2HB GLN 42 15.787 8.718 -2.258 333 HB3 GLN 42 1HB GLN 42 16.318 7.949 -3.748 334 HG2 GLN 42 2HG GLN 42 18.010 9.647 -4.075 335 HG3 GLN 42 1HG GLN 42 17.429 10.537 -2.668 336 HE21 GLN 42 1HE2 GLN 42 19.479 10.415 -1.728 337 HE22 GLN 42 2HE2 GLN 42 20.058 8.958 -1.006 338 HA PRO 43 HA PRO 43 17.546 10.173 -7.550 339 HB2 PRO 43 2HB PRO 43 16.627 8.435 -9.442 340 HB3 PRO 43 1HB PRO 43 17.817 7.989 -8.215 341 HG2 PRO 43 2HG PRO 43 14.852 7.519 -8.231 342 HG3 PRO 43 1HG PRO 43 16.158 6.395 -7.807 343 HD2 PRO 43 2HD PRO 43 14.732 7.670 -5.918 344 HD3 PRO 43 1HD PRO 43 16.464 7.340 -5.709 345 H ILE 44 H ILE 44 14.203 10.448 -7.170 346 HA ILE 44 HA ILE 44 13.855 11.875 -9.731 347 HB ILE 44 HB ILE 44 11.750 10.928 -7.768 348 HG12 ILE 44 2HG1 ILE 44 12.515 9.829 -10.494 349 HG13 ILE 44 1HG1 ILE 44 12.885 9.072 -8.948 350 HG21 ILE 44 1HG2 ILE 44 11.038 12.924 -8.972 351 HG22 ILE 44 2HG2 ILE 44 10.132 11.514 -9.524 352 HG23 ILE 44 3HG2 ILE 44 11.443 12.162 -10.511 353 HD11 ILE 44 3HD1 ILE 44 10.130 9.541 -10.072 354 HD12 ILE 44 1HD1 ILE 44 10.498 8.787 -8.519 355 HD13 ILE 44 2HD1 ILE 44 10.993 8.005 -10.020 356 H THR 45 H THR 45 12.827 12.206 -6.323 357 HA THR 45 HA THR 45 12.441 15.077 -6.644 358 HB THR 45 HB THR 45 11.466 14.995 -4.384 359 HG1 THR 45 HG1 THR 45 11.226 12.734 -3.535 360 HG21 THR 45 3HG2 THR 45 10.472 12.775 -6.185 361 HG22 THR 45 1HG2 THR 45 10.035 14.480 -6.311 362 HG23 THR 45 2HG2 THR 45 9.552 13.548 -4.895 363 H ASN 46 H ASN 46 14.996 13.111 -5.782 364 HA ASN 46 HA ASN 46 17.095 13.559 -5.050 365 HB2 ASN 46 2HB ASN 46 16.196 16.446 -4.863 366 HB3 ASN 46 1HB ASN 46 17.861 15.876 -4.797 367 HD21 ASN 46 1HD2 ASN 46 15.149 16.540 -6.827 368 HD22 ASN 46 2HD2 ASN 46 15.963 16.313 -8.335 369 H VAL 47 H VAL 47 14.601 13.353 -3.143 370 HA VAL 47 HA VAL 47 15.681 14.545 -0.712 371 HB VAL 47 HB VAL 47 13.215 12.814 -1.007 372 HG11 VAL 47 1HG1 VAL 47 14.025 12.957 1.289 373 HG12 VAL 47 2HG1 VAL 47 12.521 13.859 1.111 374 HG13 VAL 47 3HG1 VAL 47 14.060 14.718 1.187 375 HG21 VAL 47 3HG2 VAL 47 13.432 15.829 -1.073 376 HG22 VAL 47 1HG2 VAL 47 11.932 14.902 -1.074 377 HG23 VAL 47 2HG2 VAL 47 13.038 14.790 -2.441 378 H LEU 48 H LEU 48 16.720 13.479 0.898 379 HA LEU 48 HA LEU 48 17.746 10.851 0.466 380 HB2 LEU 48 2HB LEU 48 17.814 12.593 2.937 381 HB3 LEU 48 1HB LEU 48 18.750 11.126 2.716 382 HG LEU 48 HG LEU 48 19.032 13.664 1.088 383 HD11 LEU 48 1HD1 LEU 48 21.196 13.886 2.183 384 HD12 LEU 48 2HD1 LEU 48 20.882 12.438 3.137 385 HD13 LEU 48 3HD1 LEU 48 19.894 13.879 3.371 386 HD21 LEU 48 3HD2 LEU 48 20.958 12.577 0.060 387 HD22 LEU 48 1HD2 LEU 48 19.486 11.659 -0.247 388 HD23 LEU 48 2HD2 LEU 48 20.633 11.103 0.970 389 HA PRO 49 HA PRO 49 14.689 8.155 2.161 390 HB2 PRO 49 2HB PRO 49 16.347 6.465 3.664 391 HB3 PRO 49 1HB PRO 49 15.949 6.282 1.954 392 HG2 PRO 49 2HG PRO 49 18.370 7.487 3.220 393 HG3 PRO 49 1HG PRO 49 18.238 6.513 1.745 394 HD2 PRO 49 2HD PRO 49 18.580 9.170 1.636 395 HD3 PRO 49 1HD PRO 49 17.549 8.327 0.459 396 H ARG 50 H ARG 50 17.074 9.385 4.534 397 HA ARG 50 HA ARG 50 15.639 8.859 6.873 398 HB2 ARG 50 2HB ARG 50 17.930 9.655 6.982 399 HB3 ARG 50 1HB ARG 50 17.472 11.189 6.252 400 HG2 ARG 50 2HG ARG 50 16.079 11.693 8.229 401 HG3 ARG 50 1HG ARG 50 16.602 10.177 8.963 402 HD2 ARG 50 2HD ARG 50 18.460 12.416 8.148 403 HD3 ARG 50 1HD ARG 50 17.833 12.183 9.779 404 HE ARG 50 HE ARG 50 19.200 9.888 8.694 405 HH11 ARG 50 1HH1 ARG 50 19.550 12.830 10.473 406 HH12 ARG 50 2HH1 ARG 50 21.008 12.311 11.236 407 HH21 ARG 50 1HH2 ARG 50 21.068 9.252 9.664 408 HH22 ARG 50 2HH2 ARG 50 21.861 10.303 10.787 409 H GLY 51 H GLY 51 15.580 11.855 4.916 410 HA2 GLY 51 2HA GLY 51 13.511 13.005 6.587 411 HA3 GLY 51 1HA GLY 51 14.266 13.754 5.193 412 H GLN 52 H GLN 52 12.478 10.688 5.463 413 HA GLN 52 HA GLN 52 10.299 11.820 3.855 414 HB2 GLN 52 2HB GLN 52 11.915 9.364 3.171 415 HB3 GLN 52 1HB GLN 52 10.274 9.578 2.574 416 HG2 GLN 52 2HG GLN 52 10.924 11.627 1.440 417 HG3 GLN 52 1HG GLN 52 12.558 11.485 2.086 418 HE21 GLN 52 1HE2 GLN 52 13.961 10.016 1.183 419 HE22 GLN 52 2HE2 GLN 52 13.638 9.202 -0.304 420 H LYS 53 H LYS 53 8.715 11.722 5.345 421 HA LYS 53 HA LYS 53 8.248 9.183 6.777 422 HB2 LYS 53 2HB LYS 53 7.270 11.988 7.378 423 HB3 LYS 53 1HB LYS 53 6.856 10.558 8.317 424 HG2 LYS 53 2HG LYS 53 9.079 10.283 9.066 425 HG3 LYS 53 1HG LYS 53 9.701 11.449 7.896 426 HD2 LYS 53 2HD LYS 53 8.472 13.242 9.062 427 HD3 LYS 53 1HD LYS 53 7.893 12.066 10.243 428 HE2 LYS 53 2HE LYS 53 10.174 11.624 10.963 429 HE3 LYS 53 1HE LYS 53 10.799 12.712 9.724 430 HZ1 LYS 53 3HZ LYS 53 9.109 13.477 12.043 431 HZ2 LYS 53 1HZ LYS 53 9.615 14.533 10.822 432 HZ3 LYS 53 2HZ LYS 53 10.753 13.813 11.842 433 H LEU 54 H LEU 54 7.080 8.039 5.218 434 HA LEU 54 HA LEU 54 4.845 9.116 3.808 435 HB2 LEU 54 2HB LEU 54 5.686 6.266 4.363 436 HB3 LEU 54 1HB LEU 54 4.338 6.693 3.328 437 HG LEU 54 HG LEU 54 7.194 7.549 2.809 438 HD11 LEU 54 1HD1 LEU 54 5.635 5.266 1.593 439 HD12 LEU 54 2HD1 LEU 54 7.027 5.122 2.669 440 HD13 LEU 54 3HD1 LEU 54 7.222 5.829 1.065 441 HD21 LEU 54 3HD2 LEU 54 4.717 7.632 1.082 442 HD22 LEU 54 1HD2 LEU 54 6.347 8.059 0.559 443 HD23 LEU 54 2HD2 LEU 54 5.541 9.019 1.797 444 H ILE 55 H ILE 55 3.045 9.799 4.872 445 HA ILE 55 HA ILE 55 2.018 8.111 7.077 446 HB ILE 55 HB ILE 55 1.630 11.092 6.693 447 HG12 ILE 55 2HG1 ILE 55 3.304 9.576 8.724 448 HG13 ILE 55 1HG1 ILE 55 3.943 10.445 7.333 449 HG21 ILE 55 1HG2 ILE 55 0.627 11.022 8.953 450 HG22 ILE 55 2HG2 ILE 55 0.754 9.262 8.938 451 HG23 ILE 55 3HG2 ILE 55 -0.296 10.080 7.781 452 HD11 ILE 55 3HD1 ILE 55 3.072 12.539 8.266 453 HD12 ILE 55 1HD1 ILE 55 4.225 11.742 9.338 454 HD13 ILE 55 2HD1 ILE 55 2.494 11.650 9.678 455 H PHE 56 H PHE 56 0.259 7.000 6.535 456 HA PHE 56 HA PHE 56 -1.544 8.066 4.451 457 HB2 PHE 56 2HB PHE 56 -0.399 6.000 3.801 458 HB3 PHE 56 1HB PHE 56 -0.993 5.193 5.246 459 HD1 PHE 56 HD1 PHE 56 -2.318 7.058 2.285 460 HD2 PHE 56 HD2 PHE 56 -2.856 3.842 5.035 461 HE1 PHE 56 HE1 PHE 56 -4.311 6.329 1.045 462 HE2 PHE 56 HE2 PHE 56 -4.848 3.113 3.791 463 HZ PHE 56 HZ PHE 56 -5.577 4.357 1.795 464 H LYS 57 H LYS 57 -3.365 8.874 5.273 465 HA LYS 57 HA LYS 57 -5.240 9.182 6.522 466 HB2 LYS 57 2HB LYS 57 -5.118 6.159 6.678 467 HB3 LYS 57 1HB LYS 57 -6.535 7.135 7.041 468 HG2 LYS 57 2HG LYS 57 -5.167 6.887 4.362 469 HG3 LYS 57 1HG LYS 57 -6.722 6.188 4.824 470 HD2 LYS 57 2HD LYS 57 -7.643 8.440 5.134 471 HD3 LYS 57 1HD LYS 57 -6.089 9.144 4.689 472 HE2 LYS 57 2HE LYS 57 -7.633 9.207 2.807 473 HE3 LYS 57 1HE LYS 57 -6.273 8.141 2.460 474 HZ1 LYS 57 3HZ LYS 57 -8.902 7.172 3.437 475 HZ2 LYS 57 1HZ LYS 57 -7.629 6.242 2.832 476 HZ3 LYS 57 2HZ LYS 57 -8.493 7.266 1.803 477 H GLY 58 H GLY 58 -2.738 9.309 7.993 478 HA2 GLY 58 2HA GLY 58 -2.741 10.084 10.297 479 HA3 GLY 58 1HA GLY 58 -3.806 8.748 10.696 480 H LYS 59 H LYS 59 -2.463 6.607 9.516 481 HA LYS 59 HA LYS 59 -0.323 6.285 11.452 482 HB2 LYS 59 2HB LYS 59 -0.283 3.934 10.729 483 HB3 LYS 59 1HB LYS 59 -1.902 4.457 11.164 484 HG2 LYS 59 2HG LYS 59 -2.573 4.567 8.878 485 HG3 LYS 59 1HG LYS 59 -0.913 4.344 8.321 486 HD2 LYS 59 2HD LYS 59 -2.194 2.276 8.087 487 HD3 LYS 59 1HD LYS 59 -0.895 2.077 9.264 488 HE2 LYS 59 2HE LYS 59 -2.870 1.026 10.128 489 HE3 LYS 59 1HE LYS 59 -2.564 2.480 11.075 490 HZ1 LYS 59 3HZ LYS 59 -4.561 2.173 8.901 491 HZ2 LYS 59 1HZ LYS 59 -4.231 3.627 9.703 492 HZ3 LYS 59 2HZ LYS 59 -4.885 2.320 10.551 493 H VAL 60 H VAL 60 1.829 5.604 10.940 494 HA VAL 60 HA VAL 60 2.777 6.697 8.382 495 HB VAL 60 HB VAL 60 3.780 7.629 10.436 496 HG11 VAL 60 1HG1 VAL 60 3.678 5.657 11.865 497 HG12 VAL 60 2HG1 VAL 60 5.316 6.302 11.797 498 HG13 VAL 60 3HG1 VAL 60 4.900 4.857 10.873 499 HG21 VAL 60 3HG2 VAL 60 5.737 6.062 8.746 500 HG22 VAL 60 1HG2 VAL 60 6.121 7.462 9.747 501 HG23 VAL 60 2HG2 VAL 60 5.058 7.641 8.351 502 H LEU 61 H LEU 61 3.885 5.519 6.917 503 HA LEU 61 HA LEU 61 3.758 2.661 6.992 504 HB2 LEU 61 2HB LEU 61 4.964 4.625 5.040 505 HB3 LEU 61 1HB LEU 61 5.081 2.894 4.816 506 HG LEU 61 HG LEU 61 3.302 3.813 3.441 507 HD11 LEU 61 1HD1 LEU 61 2.222 2.177 5.731 508 HD12 LEU 61 2HD1 LEU 61 3.010 1.557 4.278 509 HD13 LEU 61 3HD1 LEU 61 1.455 2.380 4.156 510 HD21 LEU 61 3HD2 LEU 61 2.742 5.780 4.778 511 HD22 LEU 61 1HD2 LEU 61 2.026 4.744 6.015 512 HD23 LEU 61 2HD2 LEU 61 1.305 4.828 4.407 513 H VAL 62 H VAL 62 5.093 1.786 8.563 514 HA VAL 62 HA VAL 62 7.755 2.610 9.067 515 HB VAL 62 HB VAL 62 6.490 -0.093 9.592 516 HG11 VAL 62 1HG1 VAL 62 8.989 1.154 10.751 517 HG12 VAL 62 2HG1 VAL 62 8.925 -0.224 9.649 518 HG13 VAL 62 3HG1 VAL 62 8.262 -0.365 11.276 519 HG21 VAL 62 3HG2 VAL 62 6.127 0.765 11.869 520 HG22 VAL 62 1HG2 VAL 62 5.272 1.734 10.668 521 HG23 VAL 62 2HG2 VAL 62 6.770 2.332 11.377 522 H GLU 63 H GLU 63 9.706 1.919 8.255 523 HA GLU 63 HA GLU 63 9.728 1.376 5.516 524 HB2 GLU 63 2HB GLU 63 11.999 1.212 7.503 525 HB3 GLU 63 1HB GLU 63 12.184 1.288 5.754 526 HG2 GLU 63 2HG GLU 63 10.990 3.473 5.778 527 HG3 GLU 63 1HG GLU 63 10.988 3.402 7.537 528 H THR 64 H THR 64 9.802 -0.900 8.153 529 HA THR 64 HA THR 64 10.810 -3.086 6.510 530 HB THR 64 HB THR 64 10.367 -4.521 8.476 531 HG1 THR 64 HG1 THR 64 8.881 -3.832 9.814 532 HG21 THR 64 3HG2 THR 64 11.824 -1.951 9.126 533 HG22 THR 64 1HG2 THR 64 12.512 -3.368 8.331 534 HG23 THR 64 2HG2 THR 64 11.984 -3.468 10.011 535 H SER 65 H SER 65 7.833 -1.586 6.960 536 HA SER 65 HA SER 65 6.194 -3.967 6.558 537 HB2 SER 65 2HB SER 65 5.346 -2.296 8.111 538 HB3 SER 65 1HB SER 65 5.439 -1.048 6.871 539 HG SER 65 HG SER 65 3.785 -2.048 5.749 540 H THR 66 H THR 66 4.860 -4.318 4.772 541 HA THR 66 HA THR 66 5.637 -2.975 2.285 542 HB THR 66 HB THR 66 4.451 -4.703 1.101 543 HG1 THR 66 HG1 THR 66 3.121 -6.179 2.140 544 HG21 THR 66 3HG2 THR 66 5.919 -5.953 3.435 545 HG22 THR 66 1HG2 THR 66 6.669 -5.331 1.964 546 HG23 THR 66 2HG2 THR 66 5.592 -6.724 1.883 547 H LEU 67 H LEU 67 3.596 -2.764 0.706 548 HA LEU 67 HA LEU 67 2.019 -0.663 1.769 549 HB2 LEU 67 2HB LEU 67 1.723 -2.240 -0.791 550 HB3 LEU 67 1HB LEU 67 0.750 -0.840 -0.396 551 HG LEU 67 HG LEU 67 2.446 -0.115 -1.898 552 HD11 LEU 67 1HD1 LEU 67 3.656 1.553 -0.601 553 HD12 LEU 67 2HD1 LEU 67 3.254 0.700 0.890 554 HD13 LEU 67 3HD1 LEU 67 1.975 1.431 -0.084 555 HD21 LEU 67 3HD2 LEU 67 4.007 -1.973 -1.644 556 HD22 LEU 67 1HD2 LEU 67 4.500 -1.352 -0.068 557 HD23 LEU 67 2HD2 LEU 67 4.831 -0.419 -1.527 558 H LYS 68 H LYS 68 1.134 -4.000 0.834 559 HA LYS 68 HA LYS 68 -1.582 -3.808 1.539 560 HB2 LYS 68 2HB LYS 68 -0.861 -5.586 0.094 561 HB3 LYS 68 1HB LYS 68 0.240 -6.213 1.314 562 HG2 LYS 68 2HG LYS 68 -1.538 -7.025 2.648 563 HG3 LYS 68 1HG LYS 68 -2.737 -6.116 1.733 564 HD2 LYS 68 2HD LYS 68 -2.831 -8.494 1.186 565 HD3 LYS 68 1HD LYS 68 -2.355 -7.540 -0.215 566 HE2 LYS 68 2HE LYS 68 -0.305 -8.864 1.545 567 HE3 LYS 68 1HE LYS 68 -1.112 -9.748 0.253 568 HZ1 LYS 68 3HZ LYS 68 0.607 -7.352 -0.018 569 HZ2 LYS 68 1HZ LYS 68 -0.338 -7.964 -1.280 570 HZ3 LYS 68 2HZ LYS 68 0.901 -8.903 -0.616 571 H GLN 69 H GLN 69 1.179 -4.059 3.574 572 HA GLN 69 HA GLN 69 -0.202 -5.287 5.806 573 HB2 GLN 69 2HB GLN 69 2.513 -3.977 5.599 574 HB3 GLN 69 1HB GLN 69 1.898 -4.748 7.055 575 HG2 GLN 69 2HG GLN 69 1.796 -6.887 5.908 576 HG3 GLN 69 1HG GLN 69 2.346 -6.127 4.413 577 HE21 GLN 69 1HE2 GLN 69 4.190 -7.410 4.305 578 HE22 GLN 69 2HE2 GLN 69 5.530 -7.191 5.374 579 H SER 70 H SER 70 -0.422 -2.214 4.560 580 HA SER 70 HA SER 70 -1.114 -1.089 7.187 581 HB2 SER 70 2HB SER 70 1.215 -0.420 6.781 582 HB3 SER 70 1HB SER 70 0.750 0.288 5.236 583 HG SER 70 HG SER 70 -0.455 1.826 6.323 584 H ASP 71 H ASP 71 -2.932 -1.915 5.274 585 HA ASP 71 HA ASP 71 -4.923 -1.246 4.408 586 HB2 ASP 71 2HB ASP 71 -4.250 1.454 5.602 587 HB3 ASP 71 1HB ASP 71 -5.845 0.922 5.078 588 H VAL 72 H VAL 72 -2.171 -0.449 3.034 589 HA VAL 72 HA VAL 72 -3.051 1.652 1.231 590 HB VAL 72 HB VAL 72 -0.477 0.057 1.273 591 HG11 VAL 72 1HG1 VAL 72 0.410 1.796 -0.219 592 HG12 VAL 72 2HG1 VAL 72 -1.189 2.532 -0.304 593 HG13 VAL 72 3HG1 VAL 72 -0.928 0.917 -0.959 594 HG21 VAL 72 3HG2 VAL 72 -0.761 1.435 3.274 595 HG22 VAL 72 1HG2 VAL 72 -1.068 2.853 2.270 596 HG23 VAL 72 2HG2 VAL 72 0.518 2.082 2.246 597 H GLY 73 H GLY 73 -3.974 1.350 -0.704 598 HA2 GLY 73 2HA GLY 73 -3.518 -1.154 -2.184 599 HA3 GLY 73 1HA GLY 73 -5.172 -0.708 -1.796 600 H SER 74 H SER 74 -5.390 -0.817 -4.184 601 HA SER 74 HA SER 74 -4.094 0.981 -5.925 602 HB2 SER 74 2HB SER 74 -5.301 -0.973 -6.765 603 HB3 SER 74 1HB SER 74 -6.828 -0.297 -6.202 604 HG SER 74 HG SER 74 -6.875 0.486 -8.158 605 H GLY 75 H GLY 75 -4.094 3.126 -5.599 606 HA2 GLY 75 2HA GLY 75 -5.200 5.230 -5.925 607 HA3 GLY 75 1HA GLY 75 -6.683 4.516 -5.314 608 H ALA 76 H ALA 76 -3.662 3.957 -3.670 609 HA ALA 76 HA ALA 76 -4.682 5.144 -1.254 610 HB1 ALA 76 3HB ALA 76 -3.373 3.077 -1.216 611 HB2 ALA 76 1HB ALA 76 -2.636 4.337 -0.224 612 HB3 ALA 76 2HB ALA 76 -1.966 3.958 -1.812 613 H LYS 77 H LYS 77 -4.610 7.248 -0.867 614 HA LYS 77 HA LYS 77 -2.630 8.957 -2.137 615 HB2 LYS 77 2HB LYS 77 -4.934 9.650 -0.291 616 HB3 LYS 77 1HB LYS 77 -3.953 10.807 -1.185 617 HG2 LYS 77 2HG LYS 77 -4.773 9.979 -3.289 618 HG3 LYS 77 1HG LYS 77 -5.619 8.654 -2.486 619 HD2 LYS 77 2HD LYS 77 -7.203 10.378 -3.087 620 HD3 LYS 77 1HD LYS 77 -7.054 10.305 -1.332 621 HE2 LYS 77 2HE LYS 77 -5.558 12.251 -1.383 622 HE3 LYS 77 1HE LYS 77 -5.705 12.317 -3.141 623 HZ1 LYS 77 3HZ LYS 77 -7.187 13.896 -2.127 624 HZ2 LYS 77 1HZ LYS 77 -7.905 12.692 -1.181 625 HZ3 LYS 77 2HZ LYS 77 -8.096 12.676 -2.861 626 H LEU 78 H LEU 78 -0.672 8.700 -1.183 627 HA LEU 78 HA LEU 78 -0.391 8.469 1.699 628 HB2 LEU 78 2HB LEU 78 1.749 8.606 -0.436 629 HB3 LEU 78 1HB LEU 78 1.971 8.103 1.230 630 HG LEU 78 HG LEU 78 0.335 6.621 -0.842 631 HD11 LEU 78 1HD1 LEU 78 3.042 5.981 0.337 632 HD12 LEU 78 2HD1 LEU 78 2.723 6.497 -1.319 633 HD13 LEU 78 3HD1 LEU 78 2.118 4.943 -0.751 634 HD21 LEU 78 3HD2 LEU 78 1.065 5.863 1.988 635 HD22 LEU 78 1HD2 LEU 78 0.222 4.837 0.828 636 HD23 LEU 78 2HD2 LEU 78 -0.540 6.315 1.414 637 H MET 79 H MET 79 -0.029 10.161 3.031 638 HA MET 79 HA MET 79 0.725 12.763 1.917 639 HB2 MET 79 2HB MET 79 -1.159 12.675 3.495 640 HB3 MET 79 1HB MET 79 -0.118 11.970 4.721 641 HG2 MET 79 2HG MET 79 1.191 14.012 4.822 642 HG3 MET 79 1HG MET 79 0.216 14.719 3.532 643 HE1 MET 79 3HE MET 79 0.777 16.085 6.390 644 HE2 MET 79 1HE MET 79 -0.820 16.738 6.767 645 HE3 MET 79 2HE MET 79 -0.177 16.865 5.128 646 H LEU 80 H LEU 80 2.889 12.886 1.567 647 HA LEU 80 HA LEU 80 4.720 11.505 3.370 648 HB2 LEU 80 2HB LEU 80 5.053 11.176 1.004 649 HB3 LEU 80 1HB LEU 80 5.163 12.907 0.733 650 HG LEU 80 HG LEU 80 7.289 13.010 1.904 651 HD11 LEU 80 1HD1 LEU 80 6.900 11.320 3.610 652 HD12 LEU 80 2HD1 LEU 80 8.395 10.989 2.737 653 HD13 LEU 80 3HD1 LEU 80 6.944 10.050 2.386 654 HD21 LEU 80 3HD2 LEU 80 7.313 12.427 -0.478 655 HD22 LEU 80 1HD2 LEU 80 7.258 10.715 -0.058 656 HD23 LEU 80 2HD2 LEU 80 8.660 11.690 0.388 657 H MET 81 H MET 81 5.177 12.610 5.186 658 HA MET 81 HA MET 81 5.731 15.453 5.157 659 HB2 MET 81 2HB MET 81 4.699 14.400 7.133 660 HB3 MET 81 1HB MET 81 6.125 13.398 7.353 661 HG2 MET 81 2HG MET 81 7.470 15.361 7.813 662 HG3 MET 81 1HG MET 81 6.084 16.408 7.507 663 HE1 MET 81 3HE MET 81 7.891 16.513 10.159 664 HE2 MET 81 1HE MET 81 6.650 16.696 11.400 665 HE3 MET 81 2HE MET 81 6.521 17.591 9.885 666 H ALA 82 H ALA 82 7.476 15.808 3.833 667 HA ALA 82 HA ALA 82 9.934 14.252 4.290 668 HB1 ALA 82 3HB ALA 82 9.195 16.007 1.947 669 HB2 ALA 82 1HB ALA 82 9.052 14.249 2.006 670 HB3 ALA 82 2HB ALA 82 10.643 15.006 2.086 671 H SER 83 H SER 83 12.007 15.361 4.214 672 HA SER 83 HA SER 83 11.945 17.890 5.681 673 HB2 SER 83 2HB SER 83 13.419 16.028 6.438 674 HB3 SER 83 1HB SER 83 14.327 16.161 4.936 675 HG SER 83 HG SER 83 14.414 18.556 5.786 676 H GLN 84 H GLN 84 11.526 17.442 2.621 677 HA GLN 84 HA GLN 84 13.142 19.754 1.792 678 HB2 GLN 84 2HB GLN 84 12.851 17.156 0.262 679 HB3 GLN 84 1HB GLN 84 13.433 18.644 -0.467 680 HG2 GLN 84 2HG GLN 84 14.758 17.358 1.913 681 HG3 GLN 84 1HG GLN 84 15.194 16.986 0.247 682 HE21 GLN 84 1HE2 GLN 84 15.249 19.422 2.739 683 HE22 GLN 84 2HE2 GLN 84 16.380 20.464 1.960 684 H GLY 85 H GLY 85 12.216 20.981 0.050 685 HA2 GLY 85 2HA GLY 85 9.700 20.318 -1.137 686 HA3 GLY 85 1HA GLY 85 9.488 21.452 0.188 Start of MODEL 6 1 H1 MET 1 1H MET 1 7.177 -18.811 -28.608 2 H2 MET 1 2H MET 1 6.450 -17.818 -29.764 3 H3 MET 1 3H MET 1 5.756 -19.309 -29.377 4 HA MET 1 HA MET 1 4.531 -17.502 -28.374 5 HB2 MET 1 2HB MET 1 4.615 -18.324 -26.012 6 HB3 MET 1 1HB MET 1 4.475 -19.602 -27.208 7 HG2 MET 1 2HG MET 1 6.015 -20.260 -25.481 8 HG3 MET 1 1HG MET 1 6.886 -20.044 -26.998 9 HE1 MET 1 3HE MET 1 9.571 -18.930 -24.394 10 HE2 MET 1 1HE MET 1 9.225 -19.962 -25.782 11 HE3 MET 1 2HE MET 1 8.414 -20.252 -24.242 12 H GLY 2 H GLY 2 4.497 -15.955 -26.468 13 HA2 GLY 2 2HA GLY 2 7.054 -14.795 -25.706 14 HA3 GLY 2 1HA GLY 2 6.093 -13.793 -26.779 15 H HIS 3 H HIS 3 5.249 -12.189 -25.606 16 HA HIS 3 HA HIS 3 4.569 -12.512 -22.810 17 HB2 HIS 3 2HB HIS 3 4.225 -10.162 -24.692 18 HB3 HIS 3 1HB HIS 3 3.916 -10.111 -22.959 19 HD1 HIS 3 HD1 HIS 3 5.906 -9.774 -21.435 20 HD2 HIS 3 HD2 HIS 3 7.000 -10.425 -25.389 21 HE1 HIS 3 HE1 HIS 3 8.368 -9.303 -21.537 22 HE2 HIS 3 HE2 HIS 3 8.948 -9.485 -23.976 23 H HIS 4 H HIS 4 3.065 -14.255 -24.339 24 HA HIS 4 HA HIS 4 0.444 -13.129 -24.879 25 HB2 HIS 4 2HB HIS 4 1.453 -14.805 -26.390 26 HB3 HIS 4 1HB HIS 4 1.481 -15.972 -25.075 27 HD1 HIS 4 HD1 HIS 4 -0.526 -17.417 -24.826 28 HD2 HIS 4 HD2 HIS 4 -1.274 -14.102 -27.220 29 HE1 HIS 4 HE1 HIS 4 -2.785 -17.818 -25.841 30 HE2 HIS 4 HE2 HIS 4 -3.266 -15.756 -27.197 31 H HIS 5 H HIS 5 -0.311 -12.525 -22.833 32 HA HIS 5 HA HIS 5 -1.451 -12.727 -20.887 33 HB2 HIS 5 2HB HIS 5 -1.509 -15.684 -21.522 34 HB3 HIS 5 1HB HIS 5 -2.404 -14.923 -20.210 35 HD1 HIS 5 HD1 HIS 5 -4.165 -13.010 -21.047 36 HD2 HIS 5 HD2 HIS 5 -2.858 -15.740 -23.889 37 HE1 HIS 5 HE1 HIS 5 -5.800 -12.840 -22.935 38 HE2 HIS 5 HE2 HIS 5 -5.092 -14.621 -24.561 39 H HIS 6 H HIS 6 1.261 -14.956 -21.235 40 HA HIS 6 HA HIS 6 1.802 -15.513 -18.572 41 HB2 HIS 6 2HB HIS 6 2.912 -16.637 -20.434 42 HB3 HIS 6 1HB HIS 6 3.732 -15.144 -20.878 43 HD1 HIS 6 HD1 HIS 6 5.930 -14.690 -19.781 44 HD2 HIS 6 HD2 HIS 6 3.849 -17.764 -17.923 45 HE1 HIS 6 HE1 HIS 6 7.531 -15.674 -18.123 46 HE2 HIS 6 HE2 HIS 6 6.179 -17.378 -16.870 47 H HIS 7 H HIS 7 1.666 -13.858 -17.106 48 HA HIS 7 HA HIS 7 3.726 -11.741 -17.286 49 HB2 HIS 7 2HB HIS 7 0.886 -11.353 -16.297 50 HB3 HIS 7 1HB HIS 7 2.154 -10.134 -16.278 51 HD1 HIS 7 HD1 HIS 7 -0.595 -11.333 -18.287 52 HD2 HIS 7 HD2 HIS 7 3.034 -9.455 -19.032 53 HE1 HIS 7 HE1 HIS 7 -0.812 -10.336 -20.577 54 HE2 HIS 7 HE2 HIS 7 1.307 -9.027 -20.905 55 H HIS 8 H HIS 8 4.360 -10.827 -15.181 56 HA HIS 8 HA HIS 8 3.383 -11.908 -12.745 57 HB2 HIS 8 2HB HIS 8 5.506 -13.026 -12.003 58 HB3 HIS 8 1HB HIS 8 4.626 -13.882 -13.260 59 HD1 HIS 8 HD1 HIS 8 6.030 -14.694 -15.114 60 HD2 HIS 8 HD2 HIS 8 7.775 -11.455 -13.187 61 HE1 HIS 8 HE1 HIS 8 8.271 -14.393 -16.201 62 HE2 HIS 8 HE2 HIS 8 9.382 -12.574 -14.874 63 H SER 9 H SER 9 3.800 -10.608 -11.067 64 HA SER 9 HA SER 9 4.680 -9.007 -9.729 65 HB2 SER 9 2HB SER 9 7.168 -9.508 -11.371 66 HB3 SER 9 1HB SER 9 7.129 -8.457 -9.957 67 HG SER 9 HG SER 9 6.405 -10.277 -8.741 68 H HIS 10 H HIS 10 3.585 -8.300 -12.572 69 HA HIS 10 HA HIS 10 4.448 -5.481 -12.414 70 HB2 HIS 10 2HB HIS 10 3.631 -7.161 -14.748 71 HB3 HIS 10 1HB HIS 10 3.320 -5.427 -14.799 72 HD1 HIS 10 HD1 HIS 10 5.496 -7.165 -16.504 73 HD2 HIS 10 HD2 HIS 10 6.212 -4.556 -13.354 74 HE1 HIS 10 HE1 HIS 10 7.874 -6.409 -16.784 75 HE2 HIS 10 HE2 HIS 10 8.225 -4.700 -14.967 76 H SER 11 H SER 11 2.075 -7.333 -11.275 77 HA SER 11 HA SER 11 -0.217 -5.699 -11.772 78 HB2 SER 11 2HB SER 11 0.350 -7.521 -9.410 79 HB3 SER 11 1HB SER 11 -1.223 -6.850 -9.838 80 HG SER 11 HG SER 11 -0.692 -9.081 -10.561 81 H THR 12 H THR 12 0.933 -3.613 -11.536 82 HA THR 12 HA THR 12 1.872 -2.891 -8.879 83 HB THR 12 HB THR 12 2.552 -0.750 -9.902 84 HG1 THR 12 HG1 THR 12 0.801 -0.795 -11.536 85 HG21 THR 12 3HG2 THR 12 3.387 -3.189 -11.487 86 HG22 THR 12 1HG2 THR 12 4.095 -2.647 -9.966 87 HG23 THR 12 2HG2 THR 12 4.263 -1.660 -11.419 88 H ILE 13 H ILE 13 0.784 -1.805 -7.404 89 HA ILE 13 HA ILE 13 -1.928 -0.941 -7.897 90 HB ILE 13 HB ILE 13 -1.960 -0.392 -5.482 91 HG12 ILE 13 2HG1 ILE 13 0.920 -1.349 -5.545 92 HG13 ILE 13 1HG1 ILE 13 0.385 0.295 -5.214 93 HG21 ILE 13 1HG2 ILE 13 -1.757 -2.697 -4.670 94 HG22 ILE 13 2HG2 ILE 13 -0.858 -3.134 -6.123 95 HG23 ILE 13 3HG2 ILE 13 -2.546 -2.637 -6.246 96 HD11 ILE 13 3HD1 ILE 13 -0.713 -0.472 -3.179 97 HD12 ILE 13 1HD1 ILE 13 1.007 -0.863 -3.183 98 HD13 ILE 13 2HD1 ILE 13 -0.182 -2.122 -3.515 99 H LYS 14 H LYS 14 -2.679 1.109 -8.084 100 HA LYS 14 HA LYS 14 -0.765 3.236 -8.511 101 HB2 LYS 14 2HB LYS 14 -3.787 3.235 -8.685 102 HB3 LYS 14 1HB LYS 14 -2.751 4.577 -9.159 103 HG2 LYS 14 2HG LYS 14 -1.711 3.167 -10.877 104 HG3 LYS 14 1HG LYS 14 -2.762 1.829 -10.407 105 HD2 LYS 14 2HD LYS 14 -3.672 4.501 -11.488 106 HD3 LYS 14 1HD LYS 14 -3.614 2.988 -12.392 107 HE2 LYS 14 2HE LYS 14 -5.253 2.002 -10.870 108 HE3 LYS 14 1HE LYS 14 -5.297 3.495 -9.933 109 HZ1 LYS 14 3HZ LYS 14 -6.096 3.220 -12.777 110 HZ2 LYS 14 1HZ LYS 14 -6.157 4.646 -11.869 111 HZ3 LYS 14 2HZ LYS 14 -7.156 3.342 -11.466 112 H LEU 15 H LEU 15 -0.227 4.825 -7.148 113 HA LEU 15 HA LEU 15 -1.971 5.522 -4.920 114 HB2 LEU 15 2HB LEU 15 -0.286 5.282 -3.225 115 HB3 LEU 15 1HB LEU 15 -0.488 3.750 -4.045 116 HG LEU 15 HG LEU 15 1.798 5.675 -4.556 117 HD11 LEU 15 1HD1 LEU 15 1.902 4.754 -2.296 118 HD12 LEU 15 2HD1 LEU 15 3.178 4.090 -3.313 119 HD13 LEU 15 3HD1 LEU 15 1.752 3.120 -2.943 120 HD21 LEU 15 3HD2 LEU 15 1.348 4.291 -6.493 121 HD22 LEU 15 1HD2 LEU 15 1.322 2.841 -5.489 122 HD23 LEU 15 2HD2 LEU 15 2.824 3.742 -5.704 123 H THR 16 H THR 16 -1.949 7.657 -4.478 124 HA THR 16 HA THR 16 -0.076 9.354 -5.978 125 HB THR 16 HB THR 16 -2.591 10.140 -4.476 126 HG1 THR 16 HG1 THR 16 -2.441 8.866 -6.729 127 HG21 THR 16 3HG2 THR 16 -2.395 12.262 -5.721 128 HG22 THR 16 1HG2 THR 16 -0.846 11.726 -6.373 129 HG23 THR 16 2HG2 THR 16 -1.026 12.004 -4.641 130 H VAL 17 H VAL 17 1.720 9.970 -4.920 131 HA VAL 17 HA VAL 17 1.689 10.167 -2.002 132 HB VAL 17 HB VAL 17 3.552 8.942 -2.996 133 HG11 VAL 17 1HG1 VAL 17 3.705 10.087 -5.145 134 HG12 VAL 17 2HG1 VAL 17 5.271 10.069 -4.334 135 HG13 VAL 17 3HG1 VAL 17 4.300 11.543 -4.344 136 HG21 VAL 17 3HG2 VAL 17 3.912 10.133 -0.881 137 HG22 VAL 17 1HG2 VAL 17 4.461 11.552 -1.772 138 HG23 VAL 17 2HG2 VAL 17 5.391 10.054 -1.837 139 H LYS 18 H LYS 18 1.642 12.033 -0.914 140 HA LYS 18 HA LYS 18 1.467 14.526 -2.437 141 HB2 LYS 18 2HB LYS 18 0.805 13.953 0.462 142 HB3 LYS 18 1HB LYS 18 0.500 15.467 -0.377 143 HG2 LYS 18 2HG LYS 18 -1.104 14.394 -1.830 144 HG3 LYS 18 1HG LYS 18 -0.730 12.817 -1.131 145 HD2 LYS 18 2HD LYS 18 -2.804 13.705 -0.193 146 HD3 LYS 18 1HD LYS 18 -1.560 13.583 1.051 147 HE2 LYS 18 2HE LYS 18 -1.097 15.998 0.786 148 HE3 LYS 18 1HE LYS 18 -2.393 16.097 -0.405 149 HZ1 LYS 18 3HZ LYS 18 -2.703 15.341 2.451 150 HZ2 LYS 18 1HZ LYS 18 -3.953 15.378 1.312 151 HZ3 LYS 18 2HZ LYS 18 -3.168 16.808 1.751 152 H PHE 19 H PHE 19 3.603 15.141 -2.818 153 HA PHE 19 HA PHE 19 5.516 15.362 -0.667 154 HB2 PHE 19 2HB PHE 19 5.496 15.947 -3.583 155 HB3 PHE 19 1HB PHE 19 6.620 16.886 -2.614 156 HD1 PHE 19 HD1 PHE 19 8.358 15.700 -1.266 157 HD2 PHE 19 HD2 PHE 19 5.939 13.688 -4.140 158 HE1 PHE 19 HE1 PHE 19 9.986 13.859 -1.339 159 HE2 PHE 19 HE2 PHE 19 7.566 11.839 -4.212 160 HZ PHE 19 HZ PHE 19 9.591 11.925 -2.810 161 H GLY 20 H GLY 20 4.054 16.617 0.747 162 HA2 GLY 20 2HA GLY 20 3.387 18.571 1.769 163 HA3 GLY 20 1HA GLY 20 4.820 19.267 1.036 164 H GLY 21 H GLY 21 2.398 18.047 -1.108 165 HA2 GLY 21 2HA GLY 21 0.516 19.749 -1.696 166 HA3 GLY 21 1HA GLY 21 1.885 20.808 -1.993 167 H LYS 22 H LYS 22 3.602 18.780 -3.097 168 HA LYS 22 HA LYS 22 2.631 18.687 -5.800 169 HB2 LYS 22 2HB LYS 22 5.053 17.337 -4.579 170 HB3 LYS 22 1HB LYS 22 4.739 17.520 -6.295 171 HG2 LYS 22 2HG LYS 22 5.113 19.831 -4.395 172 HG3 LYS 22 1HG LYS 22 6.408 19.115 -5.357 173 HD2 LYS 22 2HD LYS 22 5.138 19.650 -7.413 174 HD3 LYS 22 1HD LYS 22 3.900 20.430 -6.426 175 HE2 LYS 22 2HE LYS 22 5.509 22.067 -5.641 176 HE3 LYS 22 1HE LYS 22 6.811 21.247 -6.503 177 HZ1 LYS 22 3HZ LYS 22 4.457 22.549 -7.757 178 HZ2 LYS 22 1HZ LYS 22 5.710 21.771 -8.588 179 HZ3 LYS 22 2HZ LYS 22 6.022 23.183 -7.708 180 H SER 23 H SER 23 0.807 17.389 -5.937 181 HA SER 23 HA SER 23 0.725 14.738 -4.801 182 HB2 SER 23 2HB SER 23 -1.158 16.093 -6.761 183 HB3 SER 23 1HB SER 23 -1.463 14.552 -5.961 184 HG SER 23 HG SER 23 -1.542 17.143 -4.943 185 H ILE 24 H ILE 24 2.131 13.299 -5.655 186 HA ILE 24 HA ILE 24 2.463 13.173 -8.579 187 HB ILE 24 HB ILE 24 4.104 11.727 -6.489 188 HG12 ILE 24 2HG1 ILE 24 4.284 14.146 -6.103 189 HG13 ILE 24 1HG1 ILE 24 5.791 13.512 -6.753 190 HG21 ILE 24 1HG2 ILE 24 4.257 10.761 -8.713 191 HG22 ILE 24 2HG2 ILE 24 5.773 11.562 -8.298 192 HG23 ILE 24 3HG2 ILE 24 4.637 12.341 -9.400 193 HD11 ILE 24 3HD1 ILE 24 3.691 15.007 -8.308 194 HD12 ILE 24 1HD1 ILE 24 5.205 14.378 -8.956 195 HD13 ILE 24 2HD1 ILE 24 5.230 15.653 -7.739 196 HA PRO 25 HA PRO 25 -0.146 9.451 -8.226 197 HB2 PRO 25 2HB PRO 25 -0.800 9.268 -10.838 198 HB3 PRO 25 1HB PRO 25 -1.556 10.446 -9.759 199 HG2 PRO 25 2HG PRO 25 0.651 10.842 -11.745 200 HG3 PRO 25 1HG PRO 25 -0.745 11.880 -11.403 201 HD2 PRO 25 2HD PRO 25 1.775 12.338 -10.412 202 HD3 PRO 25 1HD PRO 25 0.289 12.882 -9.609 203 H LEU 26 H LEU 26 1.297 7.821 -7.749 204 HA LEU 26 HA LEU 26 3.089 6.854 -9.889 205 HB2 LEU 26 2HB LEU 26 3.197 6.401 -6.902 206 HB3 LEU 26 1HB LEU 26 4.330 5.731 -8.062 207 HG LEU 26 HG LEU 26 3.947 8.679 -7.492 208 HD11 LEU 26 1HD1 LEU 26 6.150 8.560 -6.453 209 HD12 LEU 26 2HD1 LEU 26 6.207 6.822 -6.744 210 HD13 LEU 26 3HD1 LEU 26 5.011 7.491 -5.635 211 HD21 LEU 26 3HD2 LEU 26 4.610 8.305 -9.802 212 HD22 LEU 26 1HD2 LEU 26 5.926 7.253 -9.275 213 HD23 LEU 26 2HD2 LEU 26 5.959 8.971 -8.882 214 H SER 27 H SER 27 3.594 4.414 -9.604 215 HA SER 27 HA SER 27 1.342 2.791 -8.695 216 HB2 SER 27 2HB SER 27 2.341 2.684 -11.561 217 HB3 SER 27 1HB SER 27 1.216 1.535 -10.838 218 HG SER 27 HG SER 27 0.312 4.020 -10.416 219 H VAL 28 H VAL 28 2.472 1.585 -7.248 220 HA VAL 28 HA VAL 28 5.099 0.509 -8.082 221 HB VAL 28 HB VAL 28 5.752 0.443 -5.746 222 HG11 VAL 28 1HG1 VAL 28 6.201 2.495 -6.980 223 HG12 VAL 28 2HG1 VAL 28 5.860 2.851 -5.286 224 HG13 VAL 28 3HG1 VAL 28 4.626 3.137 -6.513 225 HG21 VAL 28 3HG2 VAL 28 3.591 -0.008 -4.717 226 HG22 VAL 28 1HG2 VAL 28 3.023 1.606 -5.150 227 HG23 VAL 28 2HG2 VAL 28 4.331 1.412 -3.982 228 H SER 29 H SER 29 5.745 -1.497 -6.822 229 HA SER 29 HA SER 29 3.694 -3.522 -7.152 230 HB2 SER 29 2HB SER 29 5.882 -4.103 -7.952 231 HB3 SER 29 1HB SER 29 6.627 -3.670 -6.413 232 HG SER 29 HG SER 29 5.684 -6.034 -7.162 233 HA PRO 30 HA PRO 30 2.458 -3.464 -2.834 234 HB2 PRO 30 2HB PRO 30 1.082 -5.833 -2.839 235 HB3 PRO 30 1HB PRO 30 0.431 -4.319 -3.477 236 HG2 PRO 30 2HG PRO 30 1.710 -6.600 -4.950 237 HG3 PRO 30 1HG PRO 30 0.252 -5.677 -5.366 238 HD2 PRO 30 2HD PRO 30 2.623 -5.190 -6.553 239 HD3 PRO 30 1HD PRO 30 1.474 -3.882 -6.198 240 H ASP 31 H ASP 31 4.464 -5.848 -4.320 241 HA ASP 31 HA ASP 31 5.029 -7.406 -1.982 242 HB2 ASP 31 2HB ASP 31 6.626 -7.040 -4.532 243 HB3 ASP 31 1HB ASP 31 6.951 -8.255 -3.300 244 H CYS 32 H CYS 32 6.177 -4.363 -3.200 245 HA CYS 32 HA CYS 32 8.701 -4.373 -1.836 246 HB2 CYS 32 2HB CYS 32 7.137 -2.152 -3.157 247 HB3 CYS 32 1HB CYS 32 8.726 -1.921 -2.436 248 HG CYS 32 HG CYS 32 9.979 -2.446 -4.589 249 H THR 33 H THR 33 9.337 -3.127 -0.060 250 HA THR 33 HA THR 33 7.266 -2.644 1.940 251 HB THR 33 HB THR 33 9.091 -2.346 3.524 252 HG1 THR 33 HG1 THR 33 11.282 -2.884 2.238 253 HG21 THR 33 3HG2 THR 33 9.632 -4.687 1.682 254 HG22 THR 33 1HG2 THR 33 8.481 -4.665 3.018 255 HG23 THR 33 2HG2 THR 33 10.211 -4.537 3.340 256 H VAL 34 H VAL 34 7.350 -0.594 3.233 257 HA VAL 34 HA VAL 34 7.464 1.725 1.592 258 HB VAL 34 HB VAL 34 7.135 3.035 3.639 259 HG11 VAL 34 1HG1 VAL 34 5.198 2.001 2.567 260 HG12 VAL 34 2HG1 VAL 34 4.985 2.060 4.317 261 HG13 VAL 34 3HG1 VAL 34 5.426 0.544 3.535 262 HG21 VAL 34 3HG2 VAL 34 7.486 0.406 5.090 263 HG22 VAL 34 1HG2 VAL 34 6.960 1.922 5.823 264 HG23 VAL 34 2HG2 VAL 34 8.583 1.787 5.150 265 H LYS 35 H LYS 35 9.847 0.044 3.445 266 HA LYS 35 HA LYS 35 11.886 2.017 3.480 267 HB2 LYS 35 2HB LYS 35 12.176 0.056 4.835 268 HB3 LYS 35 1HB LYS 35 11.962 -1.012 3.456 269 HG2 LYS 35 2HG LYS 35 14.277 -1.002 4.026 270 HG3 LYS 35 1HG LYS 35 14.092 -0.118 2.511 271 HD2 LYS 35 2HD LYS 35 15.600 1.156 3.815 272 HD3 LYS 35 1HD LYS 35 14.058 2.006 3.911 273 HE2 LYS 35 2HE LYS 35 13.635 0.927 6.093 274 HE3 LYS 35 1HE LYS 35 15.218 0.154 5.996 275 HZ1 LYS 35 3HZ LYS 35 16.220 2.375 5.914 276 HZ2 LYS 35 1HZ LYS 35 15.348 2.125 7.343 277 HZ3 LYS 35 2HZ LYS 35 14.689 3.073 6.108 278 H ASP 36 H ASP 36 11.100 -0.576 1.158 279 HA ASP 36 HA ASP 36 13.106 0.075 -0.726 280 HB2 ASP 36 2HB ASP 36 11.713 -2.088 -0.527 281 HB3 ASP 36 1HB ASP 36 10.483 -1.231 -1.451 282 H LEU 37 H LEU 37 9.821 1.262 -0.252 283 HA LEU 37 HA LEU 37 9.442 2.703 -2.601 284 HB2 LEU 37 2HB LEU 37 8.591 3.272 0.230 285 HB3 LEU 37 1HB LEU 37 8.147 4.335 -1.092 286 HG LEU 37 HG LEU 37 7.389 1.418 -0.831 287 HD11 LEU 37 1HD1 LEU 37 6.190 2.914 0.712 288 HD12 LEU 37 2HD1 LEU 37 5.127 2.244 -0.524 289 HD13 LEU 37 3HD1 LEU 37 5.689 3.911 -0.655 290 HD21 LEU 37 3HD2 LEU 37 7.736 2.029 -3.164 291 HD22 LEU 37 1HD2 LEU 37 6.695 3.440 -2.970 292 HD23 LEU 37 2HD2 LEU 37 6.017 1.817 -2.832 293 H LYS 38 H LYS 38 11.149 3.729 0.356 294 HA LYS 38 HA LYS 38 11.892 6.291 -0.505 295 HB2 LYS 38 2HB LYS 38 13.381 4.396 1.329 296 HB3 LYS 38 1HB LYS 38 13.729 6.112 1.158 297 HG2 LYS 38 2HG LYS 38 11.454 6.631 1.959 298 HG3 LYS 38 1HG LYS 38 11.171 4.905 2.207 299 HD2 LYS 38 2HD LYS 38 12.949 4.808 3.847 300 HD3 LYS 38 1HD LYS 38 13.378 6.490 3.529 301 HE2 LYS 38 2HE LYS 38 11.100 7.147 4.309 302 HE3 LYS 38 1HE LYS 38 10.818 5.463 4.756 303 HZ1 LYS 38 3HZ LYS 38 11.554 6.799 6.642 304 HZ2 LYS 38 1HZ LYS 38 12.983 7.187 5.830 305 HZ3 LYS 38 2HZ LYS 38 12.680 5.586 6.280 306 H SER 39 H SER 39 13.383 3.152 -1.050 307 HA SER 39 HA SER 39 15.737 3.996 -2.359 308 HB2 SER 39 2HB SER 39 15.580 1.722 -1.595 309 HB3 SER 39 1HB SER 39 14.129 1.436 -2.553 310 HG SER 39 HG SER 39 15.445 0.764 -4.029 311 H GLN 40 H GLN 40 12.443 3.692 -3.460 312 HA GLN 40 HA GLN 40 13.130 4.013 -6.271 313 HB2 GLN 40 2HB GLN 40 10.453 3.913 -4.854 314 HB3 GLN 40 1HB GLN 40 10.647 4.041 -6.597 315 HG2 GLN 40 2HG GLN 40 11.756 1.872 -6.652 316 HG3 GLN 40 1HG GLN 40 11.635 1.751 -4.898 317 HE21 GLN 40 1HE2 GLN 40 8.953 2.873 -4.804 318 HE22 GLN 40 2HE2 GLN 40 7.899 1.639 -5.386 319 H LEU 41 H LEU 41 11.582 5.938 -3.712 320 HA LEU 41 HA LEU 41 10.918 8.152 -5.330 321 HB2 LEU 41 2HB LEU 41 11.331 7.973 -2.345 322 HB3 LEU 41 1HB LEU 41 10.641 9.360 -3.167 323 HG LEU 41 HG LEU 41 9.443 6.581 -3.110 324 HD11 LEU 41 1HD1 LEU 41 9.293 7.689 -0.943 325 HD12 LEU 41 2HD1 LEU 41 7.707 7.586 -1.706 326 HD13 LEU 41 3HD1 LEU 41 8.585 9.115 -1.707 327 HD21 LEU 41 3HD2 LEU 41 8.921 7.728 -5.192 328 HD22 LEU 41 1HD2 LEU 41 8.388 9.153 -4.298 329 HD23 LEU 41 2HD2 LEU 41 7.491 7.640 -4.167 330 H GLN 42 H GLN 42 13.859 7.479 -3.430 331 HA GLN 42 HA GLN 42 14.846 10.091 -3.327 332 HB2 GLN 42 2HB GLN 42 15.781 8.287 -1.965 333 HB3 GLN 42 1HB GLN 42 16.452 7.530 -3.404 334 HG2 GLN 42 2HG GLN 42 17.870 9.499 -3.774 335 HG3 GLN 42 1HG GLN 42 17.208 10.243 -2.321 336 HE21 GLN 42 1HE2 GLN 42 19.233 10.365 -1.348 337 HE22 GLN 42 2HE2 GLN 42 20.045 8.969 -0.737 338 HA PRO 43 HA PRO 43 17.433 9.353 -7.356 339 HB2 PRO 43 2HB PRO 43 16.651 7.369 -9.054 340 HB3 PRO 43 1HB PRO 43 17.843 7.124 -7.773 341 HG2 PRO 43 2HG PRO 43 14.910 6.485 -7.775 342 HG3 PRO 43 1HG PRO 43 16.268 5.487 -7.220 343 HD2 PRO 43 2HD PRO 43 14.732 6.881 -5.498 344 HD3 PRO 43 1HD PRO 43 16.472 6.650 -5.221 345 H ILE 44 H ILE 44 14.055 9.361 -7.023 346 HA ILE 44 HA ILE 44 13.581 10.423 -9.720 347 HB ILE 44 HB ILE 44 11.624 9.751 -7.509 348 HG12 ILE 44 2HG1 ILE 44 12.231 8.311 -10.112 349 HG13 ILE 44 1HG1 ILE 44 12.735 7.778 -8.512 350 HG21 ILE 44 1HG2 ILE 44 10.736 11.538 -8.888 351 HG22 ILE 44 2HG2 ILE 44 9.879 10.038 -9.239 352 HG23 ILE 44 3HG2 ILE 44 11.109 10.632 -10.357 353 HD11 ILE 44 3HD1 ILE 44 9.902 8.006 -9.509 354 HD12 ILE 44 1HD1 ILE 44 10.373 7.533 -7.876 355 HD13 ILE 44 2HD1 ILE 44 10.816 6.521 -9.250 356 H THR 45 H THR 45 12.959 11.362 -6.319 357 HA THR 45 HA THR 45 12.485 14.137 -7.218 358 HB THR 45 HB THR 45 11.378 14.466 -5.021 359 HG1 THR 45 HG1 THR 45 10.923 12.046 -4.193 360 HG21 THR 45 3HG2 THR 45 10.044 13.812 -6.970 361 HG22 THR 45 1HG2 THR 45 9.390 13.095 -5.497 362 HG23 THR 45 2HG2 THR 45 10.337 12.110 -6.613 363 H ASN 46 H ASN 46 14.924 12.321 -5.857 364 HA ASN 46 HA ASN 46 16.933 12.815 -4.928 365 HB2 ASN 46 2HB ASN 46 16.158 15.686 -5.490 366 HB3 ASN 46 1HB ASN 46 17.771 15.140 -5.044 367 HD21 ASN 46 1HD2 ASN 46 15.392 15.270 -7.547 368 HD22 ASN 46 2HD2 ASN 46 16.411 14.719 -8.824 369 H VAL 47 H VAL 47 14.363 12.867 -3.269 370 HA VAL 47 HA VAL 47 15.135 14.546 -1.017 371 HB VAL 47 HB VAL 47 12.762 14.401 -1.592 372 HG11 VAL 47 1HG1 VAL 47 12.680 12.143 -2.483 373 HG12 VAL 47 2HG1 VAL 47 11.488 12.335 -1.199 374 HG13 VAL 47 3HG1 VAL 47 12.994 11.472 -0.883 375 HG21 VAL 47 3HG2 VAL 47 13.380 13.134 1.084 376 HG22 VAL 47 1HG2 VAL 47 11.876 13.947 0.648 377 HG23 VAL 47 2HG2 VAL 47 13.381 14.861 0.730 378 H LEU 48 H LEU 48 15.905 13.833 0.953 379 HA LEU 48 HA LEU 48 17.397 11.414 0.980 380 HB2 LEU 48 2HB LEU 48 16.729 13.294 3.252 381 HB3 LEU 48 1HB LEU 48 17.948 12.033 3.308 382 HG LEU 48 HG LEU 48 18.007 14.471 1.513 383 HD11 LEU 48 1HD1 LEU 48 19.689 13.754 3.915 384 HD12 LEU 48 2HD1 LEU 48 18.448 15.006 3.853 385 HD13 LEU 48 3HD1 LEU 48 19.910 15.165 2.877 386 HD21 LEU 48 3HD2 LEU 48 20.034 12.255 1.846 387 HD22 LEU 48 1HD2 LEU 48 20.259 13.724 0.898 388 HD23 LEU 48 2HD2 LEU 48 19.037 12.548 0.422 389 HA PRO 49 HA PRO 49 14.315 8.426 2.199 390 HB2 PRO 49 2HB PRO 49 16.131 6.801 3.627 391 HB3 PRO 49 1HB PRO 49 15.663 6.635 1.933 392 HG2 PRO 49 2HG PRO 49 18.066 7.931 3.119 393 HG3 PRO 49 1HG PRO 49 17.902 7.050 1.590 394 HD2 PRO 49 2HD PRO 49 18.091 9.725 1.645 395 HD3 PRO 49 1HD PRO 49 17.039 8.903 0.475 396 H ARG 50 H ARG 50 16.648 9.505 4.709 397 HA ARG 50 HA ARG 50 15.075 8.803 6.937 398 HB2 ARG 50 2HB ARG 50 17.419 9.391 7.206 399 HB3 ARG 50 1HB ARG 50 17.110 11.030 6.643 400 HG2 ARG 50 2HG ARG 50 15.696 11.432 8.616 401 HG3 ARG 50 1HG ARG 50 16.031 9.797 9.182 402 HD2 ARG 50 2HD ARG 50 18.161 11.881 8.699 403 HD3 ARG 50 1HD ARG 50 17.402 11.599 10.265 404 HE ARG 50 HE ARG 50 18.516 9.216 9.140 405 HH11 ARG 50 1HH1 ARG 50 19.273 12.075 10.895 406 HH12 ARG 50 2HH1 ARG 50 20.662 11.380 11.651 407 HH21 ARG 50 1HH2 ARG 50 20.295 8.322 10.117 408 HH22 ARG 50 2HH2 ARG 50 21.242 9.270 11.211 409 H GLY 51 H GLY 51 15.128 11.772 4.995 410 HA2 GLY 51 2HA GLY 51 13.265 13.195 6.644 411 HA3 GLY 51 1HA GLY 51 13.795 13.655 5.035 412 H GLN 52 H GLN 52 12.872 10.815 4.186 413 HA GLN 52 HA GLN 52 10.301 11.632 3.248 414 HB2 GLN 52 2HB GLN 52 11.644 8.923 3.120 415 HB3 GLN 52 1HB GLN 52 10.180 9.363 2.253 416 HG2 GLN 52 2HG GLN 52 11.428 11.078 1.018 417 HG3 GLN 52 1HG GLN 52 12.895 10.626 1.885 418 HE21 GLN 52 1HE2 GLN 52 13.974 10.051 -0.012 419 HE22 GLN 52 2HE2 GLN 52 13.572 8.624 -0.898 420 H LYS 53 H LYS 53 9.125 12.032 5.191 421 HA LYS 53 HA LYS 53 8.461 9.796 6.925 422 HB2 LYS 53 2HB LYS 53 7.502 12.666 6.872 423 HB3 LYS 53 1HB LYS 53 6.984 11.480 8.063 424 HG2 LYS 53 2HG LYS 53 9.242 11.247 8.879 425 HG3 LYS 53 1HG LYS 53 9.843 12.336 7.626 426 HD2 LYS 53 2HD LYS 53 8.500 14.163 8.588 427 HD3 LYS 53 1HD LYS 53 7.911 13.066 9.841 428 HE2 LYS 53 2HE LYS 53 10.801 13.835 9.403 429 HE3 LYS 53 1HE LYS 53 9.742 14.505 10.644 430 HZ1 LYS 53 3HZ LYS 53 11.169 12.745 11.512 431 HZ2 LYS 53 1HZ LYS 53 10.508 11.642 10.414 432 HZ3 LYS 53 2HZ LYS 53 9.539 12.318 11.621 433 H LEU 54 H LEU 54 7.398 8.344 5.577 434 HA LEU 54 HA LEU 54 5.048 9.042 4.083 435 HB2 LEU 54 2HB LEU 54 6.138 6.352 4.941 436 HB3 LEU 54 1HB LEU 54 4.780 6.568 3.853 437 HG LEU 54 HG LEU 54 7.585 7.551 3.286 438 HD11 LEU 54 1HD1 LEU 54 7.727 5.696 1.694 439 HD12 LEU 54 2HD1 LEU 54 6.163 5.098 2.249 440 HD13 LEU 54 3HD1 LEU 54 7.542 5.121 3.350 441 HD21 LEU 54 3HD2 LEU 54 5.851 8.847 2.153 442 HD22 LEU 54 1HD2 LEU 54 5.146 7.363 1.510 443 HD23 LEU 54 2HD2 LEU 54 6.758 7.866 1.002 444 H ILE 55 H ILE 55 3.140 9.519 4.988 445 HA ILE 55 HA ILE 55 2.404 8.230 7.550 446 HB ILE 55 HB ILE 55 1.679 11.031 6.641 447 HG12 ILE 55 2HG1 ILE 55 3.618 10.127 8.791 448 HG13 ILE 55 1HG1 ILE 55 4.085 10.760 7.218 449 HG21 ILE 55 1HG2 ILE 55 0.792 11.317 8.908 450 HG22 ILE 55 2HG2 ILE 55 1.187 9.641 9.284 451 HG23 ILE 55 3HG2 ILE 55 -0.036 10.006 8.069 452 HD11 ILE 55 3HD1 ILE 55 3.026 12.901 7.798 453 HD12 ILE 55 1HD1 ILE 55 4.320 12.452 8.911 454 HD13 ILE 55 2HD1 ILE 55 2.633 12.253 9.391 455 H PHE 56 H PHE 56 0.657 6.962 7.422 456 HA PHE 56 HA PHE 56 -1.539 7.679 5.590 457 HB2 PHE 56 2HB PHE 56 -0.124 5.889 4.564 458 HB3 PHE 56 1HB PHE 56 -0.473 4.859 5.946 459 HD1 PHE 56 HD1 PHE 56 -2.412 6.956 3.520 460 HD2 PHE 56 HD2 PHE 56 -2.059 3.235 5.571 461 HE1 PHE 56 HE1 PHE 56 -4.418 6.127 2.361 462 HE2 PHE 56 HE2 PHE 56 -4.062 2.406 4.411 463 HZ PHE 56 HZ PHE 56 -5.243 3.850 2.805 464 H LYS 57 H LYS 57 -3.576 7.348 6.389 465 HA LYS 57 HA LYS 57 -5.231 7.154 7.935 466 HB2 LYS 57 2HB LYS 57 -3.491 4.900 8.966 467 HB3 LYS 57 1HB LYS 57 -5.116 5.234 9.547 468 HG2 LYS 57 2HG LYS 57 -4.372 4.466 6.725 469 HG3 LYS 57 1HG LYS 57 -5.102 3.408 7.935 470 HD2 LYS 57 2HD LYS 57 -7.064 4.936 8.017 471 HD3 LYS 57 1HD LYS 57 -6.341 5.886 6.717 472 HE2 LYS 57 2HE LYS 57 -7.969 4.402 5.760 473 HE3 LYS 57 1HE LYS 57 -6.365 3.842 5.291 474 HZ1 LYS 57 3HZ LYS 57 -7.982 2.711 7.514 475 HZ2 LYS 57 1HZ LYS 57 -6.479 2.141 6.984 476 HZ3 LYS 57 2HZ LYS 57 -7.833 2.025 5.975 477 H GLY 58 H GLY 58 -2.499 8.594 8.554 478 HA2 GLY 58 2HA GLY 58 -2.301 10.290 10.238 479 HA3 GLY 58 1HA GLY 58 -3.183 9.254 11.348 480 H LYS 59 H LYS 59 -1.355 6.979 10.270 481 HA LYS 59 HA LYS 59 0.768 7.472 12.252 482 HB2 LYS 59 2HB LYS 59 -0.547 5.540 12.771 483 HB3 LYS 59 1HB LYS 59 -0.419 4.929 11.126 484 HG2 LYS 59 2HG LYS 59 1.970 4.522 11.449 485 HG3 LYS 59 1HG LYS 59 1.865 5.166 13.086 486 HD2 LYS 59 2HD LYS 59 0.304 2.769 12.110 487 HD3 LYS 59 1HD LYS 59 1.852 2.662 12.947 488 HE2 LYS 59 2HE LYS 59 -0.659 3.919 14.063 489 HE3 LYS 59 1HE LYS 59 -0.062 2.309 14.459 490 HZ1 LYS 59 3HZ LYS 59 1.326 4.874 15.009 491 HZ2 LYS 59 1HZ LYS 59 1.956 3.340 15.340 492 HZ3 LYS 59 2HZ LYS 59 0.574 3.880 16.148 493 H VAL 60 H VAL 60 2.921 7.385 11.739 494 HA VAL 60 HA VAL 60 3.791 7.372 9.020 495 HB VAL 60 HB VAL 60 5.457 7.003 11.527 496 HG11 VAL 60 1HG1 VAL 60 6.661 6.306 9.540 497 HG12 VAL 60 2HG1 VAL 60 7.319 7.832 10.129 498 HG13 VAL 60 3HG1 VAL 60 6.250 7.815 8.725 499 HG21 VAL 60 3HG2 VAL 60 4.826 9.542 10.011 500 HG22 VAL 60 1HG2 VAL 60 5.883 9.403 11.415 501 HG23 VAL 60 2HG2 VAL 60 4.155 9.093 11.577 502 H LEU 61 H LEU 61 4.285 5.656 7.746 503 HA LEU 61 HA LEU 61 3.695 3.029 8.639 504 HB2 LEU 61 2HB LEU 61 5.019 3.978 6.099 505 HB3 LEU 61 1HB LEU 61 4.565 2.313 6.398 506 HG LEU 61 HG LEU 61 2.848 3.187 5.048 507 HD11 LEU 61 1HD1 LEU 61 2.011 1.898 6.952 508 HD12 LEU 61 2HD1 LEU 61 0.857 3.124 6.434 509 HD13 LEU 61 3HD1 LEU 61 1.829 3.384 7.881 510 HD21 LEU 61 3HD2 LEU 61 1.685 5.282 5.451 511 HD22 LEU 61 1HD2 LEU 61 3.417 5.557 5.275 512 HD23 LEU 61 2HD2 LEU 61 2.678 5.582 6.877 513 H VAL 62 H VAL 62 4.914 1.531 9.568 514 HA VAL 62 HA VAL 62 7.629 1.961 10.282 515 HB VAL 62 HB VAL 62 6.140 -0.679 10.279 516 HG11 VAL 62 1HG1 VAL 62 8.508 0.268 11.899 517 HG12 VAL 62 2HG1 VAL 62 8.549 -0.912 10.591 518 HG13 VAL 62 3HG1 VAL 62 7.691 -1.283 12.085 519 HG21 VAL 62 3HG2 VAL 62 5.538 -0.170 12.607 520 HG22 VAL 62 1HG2 VAL 62 4.843 0.999 11.486 521 HG23 VAL 62 2HG2 VAL 62 6.260 1.431 12.444 522 H GLU 63 H GLU 63 9.513 1.325 9.298 523 HA GLU 63 HA GLU 63 9.409 0.855 6.507 524 HB2 GLU 63 2HB GLU 63 11.785 0.753 8.371 525 HB3 GLU 63 1HB GLU 63 11.869 0.813 6.613 526 HG2 GLU 63 2HG GLU 63 10.589 2.989 6.746 527 HG3 GLU 63 1HG GLU 63 10.858 2.940 8.487 528 H THR 64 H THR 64 9.042 -1.374 8.940 529 HA THR 64 HA THR 64 10.250 -3.611 7.497 530 HB THR 64 HB THR 64 9.411 -5.011 9.346 531 HG1 THR 64 HG1 THR 64 8.464 -3.776 11.177 532 HG21 THR 64 3HG2 THR 64 10.822 -2.498 10.275 533 HG22 THR 64 1HG2 THR 64 11.587 -3.954 9.637 534 HG23 THR 64 2HG2 THR 64 10.738 -4.010 11.181 535 H SER 65 H SER 65 7.407 -1.886 7.319 536 HA SER 65 HA SER 65 5.703 -4.183 6.647 537 HB2 SER 65 2HB SER 65 4.761 -2.566 8.223 538 HB3 SER 65 1HB SER 65 4.995 -1.263 7.056 539 HG SER 65 HG SER 65 2.839 -2.492 7.273 540 H THR 66 H THR 66 4.189 -3.889 4.791 541 HA THR 66 HA THR 66 5.582 -2.700 2.465 542 HB THR 66 HB THR 66 4.622 -4.411 1.051 543 HG1 THR 66 HG1 THR 66 3.414 -6.160 2.302 544 HG21 THR 66 3HG2 THR 66 5.640 -6.450 1.972 545 HG22 THR 66 1HG2 THR 66 5.742 -5.687 3.560 546 HG23 THR 66 2HG2 THR 66 6.689 -5.052 2.213 547 H LEU 67 H LEU 67 3.915 -2.417 0.561 548 HA LEU 67 HA LEU 67 2.004 -0.484 1.252 549 HB2 LEU 67 2HB LEU 67 2.316 -2.182 -1.224 550 HB3 LEU 67 1HB LEU 67 1.057 -0.971 -1.079 551 HG LEU 67 HG LEU 67 2.861 -0.030 -2.342 552 HD11 LEU 67 1HD1 LEU 67 2.894 1.087 0.461 553 HD12 LEU 67 2HD1 LEU 67 1.745 1.492 -0.814 554 HD13 LEU 67 3HD1 LEU 67 3.444 1.925 -0.991 555 HD21 LEU 67 3HD2 LEU 67 4.662 -1.509 -1.631 556 HD22 LEU 67 1HD2 LEU 67 4.685 -0.741 -0.042 557 HD23 LEU 67 2HD2 LEU 67 5.139 0.183 -1.477 558 H LYS 68 H LYS 68 1.572 -3.939 0.508 559 HA LYS 68 HA LYS 68 -1.245 -3.953 0.779 560 HB2 LYS 68 2HB LYS 68 0.080 -5.702 -0.404 561 HB3 LYS 68 1HB LYS 68 0.665 -6.274 1.151 562 HG2 LYS 68 2HG LYS 68 -1.596 -6.877 1.814 563 HG3 LYS 68 1HG LYS 68 -2.231 -6.223 0.303 564 HD2 LYS 68 2HD LYS 68 -0.920 -7.895 -0.954 565 HD3 LYS 68 1HD LYS 68 -0.329 -8.561 0.570 566 HE2 LYS 68 2HE LYS 68 -2.638 -9.108 1.214 567 HE3 LYS 68 1HE LYS 68 -3.216 -8.453 -0.319 568 HZ1 LYS 68 3HZ LYS 68 -1.990 -10.154 -1.485 569 HZ2 LYS 68 1HZ LYS 68 -3.020 -10.872 -0.352 570 HZ3 LYS 68 2HZ LYS 68 -1.363 -10.755 -0.037 571 H GLN 69 H GLN 69 1.372 -4.571 3.094 572 HA GLN 69 HA GLN 69 -0.303 -5.371 5.257 573 HB2 GLN 69 2HB GLN 69 2.492 -4.215 5.277 574 HB3 GLN 69 1HB GLN 69 1.694 -4.922 6.675 575 HG2 GLN 69 2HG GLN 69 1.602 -7.083 5.535 576 HG3 GLN 69 1HG GLN 69 2.384 -6.371 4.122 577 HE21 GLN 69 1HE2 GLN 69 4.153 -7.756 4.269 578 HE22 GLN 69 2HE2 GLN 69 5.347 -7.588 5.508 579 H SER 70 H SER 70 0.738 -2.243 4.075 580 HA SER 70 HA SER 70 -0.280 -0.842 6.425 581 HB2 SER 70 2HB SER 70 0.467 1.209 5.222 582 HB3 SER 70 1HB SER 70 1.756 0.023 5.424 583 HG SER 70 HG SER 70 1.827 -0.277 3.328 584 H ASP 71 H ASP 71 -1.793 -2.293 4.013 585 HA ASP 71 HA ASP 71 -3.889 -2.222 3.181 586 HB2 ASP 71 2HB ASP 71 -4.235 0.134 5.046 587 HB3 ASP 71 1HB ASP 71 -5.545 -0.628 4.146 588 H VAL 72 H VAL 72 -1.586 -0.363 2.210 589 HA VAL 72 HA VAL 72 -3.073 1.486 0.536 590 HB VAL 72 HB VAL 72 -0.149 0.699 0.387 591 HG11 VAL 72 1HG1 VAL 72 0.129 2.775 -0.899 592 HG12 VAL 72 2HG1 VAL 72 -1.612 3.048 -0.837 593 HG13 VAL 72 3HG1 VAL 72 -0.970 1.654 -1.706 594 HG21 VAL 72 3HG2 VAL 72 0.290 2.802 1.588 595 HG22 VAL 72 1HG2 VAL 72 -0.672 1.682 2.555 596 HG23 VAL 72 2HG2 VAL 72 -1.446 3.057 1.768 597 H GLY 73 H GLY 73 -4.353 0.453 -0.916 598 HA2 GLY 73 2HA GLY 73 -3.181 -1.740 -2.525 599 HA3 GLY 73 1HA GLY 73 -4.899 -1.524 -2.223 600 H SER 74 H SER 74 -5.032 -1.758 -4.598 601 HA SER 74 HA SER 74 -3.927 0.180 -6.348 602 HB2 SER 74 2HB SER 74 -5.608 -0.669 -8.001 603 HB3 SER 74 1HB SER 74 -4.651 -1.942 -7.246 604 HG SER 74 HG SER 74 -7.264 -1.168 -6.413 605 H GLY 75 H GLY 75 -4.316 2.234 -5.519 606 HA2 GLY 75 2HA GLY 75 -5.723 4.145 -6.181 607 HA3 GLY 75 1HA GLY 75 -7.122 3.177 -5.740 608 H ALA 76 H ALA 76 -4.147 4.552 -4.350 609 HA ALA 76 HA ALA 76 -5.682 5.437 -2.013 610 HB1 ALA 76 3HB ALA 76 -4.760 3.257 -1.375 611 HB2 ALA 76 1HB ALA 76 -4.038 4.561 -0.431 612 HB3 ALA 76 2HB ALA 76 -3.135 3.828 -1.758 613 H LYS 77 H LYS 77 -4.446 7.024 -0.669 614 HA LYS 77 HA LYS 77 -2.358 8.418 -2.228 615 HB2 LYS 77 2HB LYS 77 -4.601 9.753 -0.686 616 HB3 LYS 77 1HB LYS 77 -3.328 10.571 -1.584 617 HG2 LYS 77 2HG LYS 77 -4.173 9.564 -3.665 618 HG3 LYS 77 1HG LYS 77 -5.475 8.802 -2.753 619 HD2 LYS 77 2HD LYS 77 -6.260 11.060 -2.071 620 HD3 LYS 77 1HD LYS 77 -4.997 11.772 -3.075 621 HE2 LYS 77 2HE LYS 77 -5.989 10.611 -5.046 622 HE3 LYS 77 1HE LYS 77 -7.301 10.057 -4.008 623 HZ1 LYS 77 3HZ LYS 77 -6.623 12.879 -4.615 624 HZ2 LYS 77 1HZ LYS 77 -7.847 12.387 -3.561 625 HZ3 LYS 77 2HZ LYS 77 -7.951 12.024 -5.209 626 H LEU 78 H LEU 78 -0.546 8.857 -1.120 627 HA LEU 78 HA LEU 78 -0.550 8.386 1.792 628 HB2 LEU 78 2HB LEU 78 1.743 8.309 -0.181 629 HB3 LEU 78 1HB LEU 78 1.873 7.983 1.539 630 HG LEU 78 HG LEU 78 0.339 6.329 -0.478 631 HD11 LEU 78 1HD1 LEU 78 2.888 5.770 1.041 632 HD12 LEU 78 2HD1 LEU 78 2.735 6.051 -0.692 633 HD13 LEU 78 3HD1 LEU 78 2.023 4.611 0.031 634 HD21 LEU 78 3HD2 LEU 78 -0.040 4.767 1.368 635 HD22 LEU 78 1HD2 LEU 78 -0.788 6.333 1.682 636 HD23 LEU 78 2HD2 LEU 78 0.721 5.899 2.488 637 H MET 79 H MET 79 -0.042 9.980 3.188 638 HA MET 79 HA MET 79 0.636 12.623 2.177 639 HB2 MET 79 2HB MET 79 -1.019 12.433 3.964 640 HB3 MET 79 1HB MET 79 0.144 11.604 4.989 641 HG2 MET 79 2HG MET 79 1.504 13.610 5.115 642 HG3 MET 79 1HG MET 79 0.403 14.447 4.019 643 HE1 MET 79 3HE MET 79 0.241 16.434 5.811 644 HE2 MET 79 1HE MET 79 1.308 15.555 6.906 645 HE3 MET 79 2HE MET 79 -0.232 16.189 7.494 646 H LEU 80 H LEU 80 2.728 13.078 1.738 647 HA LEU 80 HA LEU 80 4.813 11.767 3.363 648 HB2 LEU 80 2HB LEU 80 4.881 11.231 0.978 649 HB3 LEU 80 1HB LEU 80 4.982 12.936 0.580 650 HG LEU 80 HG LEU 80 7.196 13.100 1.537 651 HD11 LEU 80 1HD1 LEU 80 6.922 11.591 3.430 652 HD12 LEU 80 2HD1 LEU 80 8.349 11.162 2.489 653 HD13 LEU 80 3HD1 LEU 80 6.875 10.207 2.338 654 HD21 LEU 80 3HD2 LEU 80 7.053 12.311 -0.763 655 HD22 LEU 80 1HD2 LEU 80 6.950 10.643 -0.200 656 HD23 LEU 80 2HD2 LEU 80 8.425 11.575 0.065 657 H MET 81 H MET 81 5.442 13.059 4.964 658 HA MET 81 HA MET 81 5.645 15.942 4.599 659 HB2 MET 81 2HB MET 81 4.766 15.052 6.714 660 HB3 MET 81 1HB MET 81 6.282 14.213 7.004 661 HG2 MET 81 2HG MET 81 7.438 16.394 7.095 662 HG3 MET 81 1HG MET 81 5.884 17.198 6.877 663 HE1 MET 81 3HE MET 81 7.928 17.778 9.254 664 HE2 MET 81 1HE MET 81 6.839 17.891 10.635 665 HE3 MET 81 2HE MET 81 6.392 18.633 9.100 666 H ALA 82 H ALA 82 7.303 16.072 3.040 667 HA ALA 82 HA ALA 82 10.004 15.807 4.131 668 HB1 ALA 82 3HB ALA 82 9.218 14.578 1.480 669 HB2 ALA 82 1HB ALA 82 9.589 13.687 2.956 670 HB3 ALA 82 2HB ALA 82 10.844 14.637 2.162 671 H SER 83 H SER 83 11.578 17.129 3.063 672 HA SER 83 HA SER 83 10.428 19.176 1.260 673 HB2 SER 83 2HB SER 83 10.919 20.106 3.494 674 HB3 SER 83 1HB SER 83 12.594 19.579 3.341 675 HG SER 83 HG SER 83 12.791 21.552 2.559 676 H GLN 84 H GLN 84 12.262 20.416 0.086 677 HA GLN 84 HA GLN 84 13.957 18.375 -1.201 678 HB2 GLN 84 2HB GLN 84 12.176 19.649 -2.513 679 HB3 GLN 84 1HB GLN 84 13.179 21.077 -2.325 680 HG2 GLN 84 2HG GLN 84 14.208 18.551 -3.594 681 HG3 GLN 84 1HG GLN 84 13.352 19.783 -4.513 682 HE21 GLN 84 1HE2 GLN 84 14.340 21.800 -4.819 683 HE22 GLN 84 2HE2 GLN 84 16.044 22.009 -4.623 684 H GLY 85 H GLY 85 15.998 18.391 -0.488 685 HA2 GLY 85 2HA GLY 85 18.163 19.470 -0.683 686 HA3 GLY 85 1HA GLY 85 17.401 20.985 -0.240 Start of MODEL 7 1 H1 MET 1 1H MET 1 -16.695 -8.252 -24.730 2 H2 MET 1 2H MET 1 -15.107 -8.107 -24.162 3 H3 MET 1 3H MET 1 -15.587 -7.280 -25.554 4 HA MET 1 HA MET 1 -15.414 -5.824 -23.614 5 HB2 MET 1 2HB MET 1 -17.517 -4.673 -23.970 6 HB3 MET 1 1HB MET 1 -16.942 -5.318 -25.500 7 HG2 MET 1 2HG MET 1 -19.121 -6.480 -23.774 8 HG3 MET 1 1HG MET 1 -19.326 -5.625 -25.302 9 HE1 MET 1 3HE MET 1 -20.541 -8.547 -24.615 10 HE2 MET 1 1HE MET 1 -20.264 -9.360 -26.153 11 HE3 MET 1 2HE MET 1 -20.835 -7.693 -26.129 12 H GLY 2 H GLY 2 -16.911 -4.968 -21.786 13 HA2 GLY 2 2HA GLY 2 -18.495 -5.535 -20.043 14 HA3 GLY 2 1HA GLY 2 -18.024 -7.217 -20.219 15 H HIS 3 H HIS 3 -17.110 -7.818 -18.346 16 HA HIS 3 HA HIS 3 -15.589 -5.965 -16.735 17 HB2 HIS 3 2HB HIS 3 -16.278 -8.887 -16.380 18 HB3 HIS 3 1HB HIS 3 -15.312 -7.974 -15.223 19 HD1 HIS 3 HD1 HIS 3 -18.809 -8.247 -16.576 20 HD2 HIS 3 HD2 HIS 3 -16.732 -6.186 -13.621 21 HE1 HIS 3 HE1 HIS 3 -20.561 -7.141 -15.162 22 HE2 HIS 3 HE2 HIS 3 -19.284 -5.795 -13.472 23 H HIS 4 H HIS 4 -13.550 -5.528 -17.051 24 HA HIS 4 HA HIS 4 -12.008 -6.958 -18.997 25 HB2 HIS 4 2HB HIS 4 -11.211 -4.626 -17.238 26 HB3 HIS 4 1HB HIS 4 -10.371 -5.175 -18.689 27 HD1 HIS 4 HD1 HIS 4 -13.492 -3.405 -17.575 28 HD2 HIS 4 HD2 HIS 4 -11.517 -4.384 -21.102 29 HE1 HIS 4 HE1 HIS 4 -14.694 -2.157 -19.389 30 HE2 HIS 4 HE2 HIS 4 -13.564 -2.861 -21.522 31 H HIS 5 H HIS 5 -11.364 -8.928 -18.315 32 HA HIS 5 HA HIS 5 -10.282 -9.491 -15.743 33 HB2 HIS 5 2HB HIS 5 -11.365 -11.217 -17.110 34 HB3 HIS 5 1HB HIS 5 -10.106 -11.064 -18.330 35 HD1 HIS 5 HD1 HIS 5 -7.841 -12.168 -17.848 36 HD2 HIS 5 HD2 HIS 5 -10.633 -12.662 -14.804 37 HE1 HIS 5 HE1 HIS 5 -6.898 -13.950 -16.350 38 HE2 HIS 5 HE2 HIS 5 -8.526 -14.117 -14.435 39 H HIS 6 H HIS 6 -8.693 -7.798 -15.567 40 HA HIS 6 HA HIS 6 -6.443 -7.568 -17.268 41 HB2 HIS 6 2HB HIS 6 -5.479 -6.162 -15.532 42 HB3 HIS 6 1HB HIS 6 -7.184 -5.777 -15.731 43 HD1 HIS 6 HD1 HIS 6 -4.713 -6.924 -13.244 44 HD2 HIS 6 HD2 HIS 6 -8.853 -6.693 -13.570 45 HE1 HIS 6 HE1 HIS 6 -5.589 -7.233 -10.916 46 HE2 HIS 6 HE2 HIS 6 -8.089 -7.288 -11.169 47 H HIS 7 H HIS 7 -4.182 -7.986 -16.675 48 HA HIS 7 HA HIS 7 -3.798 -10.689 -15.745 49 HB2 HIS 7 2HB HIS 7 -1.814 -8.562 -16.590 50 HB3 HIS 7 1HB HIS 7 -1.383 -10.224 -16.206 51 HD1 HIS 7 HD1 HIS 7 -0.831 -11.321 -18.350 52 HD2 HIS 7 HD2 HIS 7 -4.182 -8.885 -18.695 53 HE1 HIS 7 HE1 HIS 7 -1.629 -11.603 -20.711 54 HE2 HIS 7 HE2 HIS 7 -3.581 -10.037 -20.932 55 H HIS 8 H HIS 8 -2.447 -11.346 -13.975 56 HA HIS 8 HA HIS 8 -2.208 -9.368 -11.807 57 HB2 HIS 8 2HB HIS 8 -3.356 -11.413 -11.188 58 HB3 HIS 8 1HB HIS 8 -2.011 -12.390 -11.766 59 HD1 HIS 8 HD1 HIS 8 -0.845 -13.344 -9.804 60 HD2 HIS 8 HD2 HIS 8 -2.070 -9.437 -9.100 61 HE1 HIS 8 HE1 HIS 8 0.016 -12.772 -7.519 62 HE2 HIS 8 HE2 HIS 8 -0.548 -10.344 -7.217 63 H SER 9 H SER 9 -0.286 -11.304 -13.969 64 HA SER 9 HA SER 9 2.165 -11.382 -12.624 65 HB2 SER 9 2HB SER 9 1.853 -12.685 -14.633 66 HB3 SER 9 1HB SER 9 1.596 -11.230 -15.595 67 HG SER 9 HG SER 9 3.725 -10.727 -15.431 68 H HIS 10 H HIS 10 3.389 -9.781 -11.886 69 HA HIS 10 HA HIS 10 4.477 -7.808 -11.648 70 HB2 HIS 10 2HB HIS 10 5.369 -8.460 -13.894 71 HB3 HIS 10 1HB HIS 10 4.097 -7.501 -14.642 72 HD1 HIS 10 HD1 HIS 10 4.646 -5.100 -15.069 73 HD2 HIS 10 HD2 HIS 10 7.186 -6.815 -12.262 74 HE1 HIS 10 HE1 HIS 10 6.385 -3.361 -14.582 75 HE2 HIS 10 HE2 HIS 10 7.782 -4.351 -12.746 76 H SER 11 H SER 11 1.469 -7.894 -11.570 77 HA SER 11 HA SER 11 0.421 -5.451 -12.542 78 HB2 SER 11 2HB SER 11 -1.032 -7.306 -11.837 79 HB3 SER 11 1HB SER 11 -0.509 -7.095 -10.166 80 HG SER 11 HG SER 11 -1.891 -5.528 -9.966 81 H THR 12 H THR 12 0.305 -3.418 -11.679 82 HA THR 12 HA THR 12 1.721 -2.959 -9.124 83 HB THR 12 HB THR 12 2.559 -0.816 -10.025 84 HG1 THR 12 HG1 THR 12 2.068 -1.520 -12.663 85 HG21 THR 12 3HG2 THR 12 4.008 -2.782 -10.149 86 HG22 THR 12 1HG2 THR 12 4.258 -1.742 -11.552 87 HG23 THR 12 2HG2 THR 12 3.306 -3.219 -11.707 88 H ILE 13 H ILE 13 0.824 -1.590 -7.687 89 HA ILE 13 HA ILE 13 -1.855 -0.591 -8.207 90 HB ILE 13 HB ILE 13 -1.867 0.049 -5.817 91 HG12 ILE 13 2HG1 ILE 13 0.917 -1.163 -5.763 92 HG13 ILE 13 1HG1 ILE 13 0.543 0.545 -5.563 93 HG21 ILE 13 1HG2 ILE 13 -1.856 -2.226 -4.904 94 HG22 ILE 13 2HG2 ILE 13 -0.981 -2.795 -6.325 95 HG23 ILE 13 3HG2 ILE 13 -2.623 -2.172 -6.490 96 HD11 ILE 13 3HD1 ILE 13 -0.667 0.038 -3.506 97 HD12 ILE 13 1HD1 ILE 13 1.003 -0.518 -3.436 98 HD13 ILE 13 2HD1 ILE 13 -0.298 -1.674 -3.712 99 H LYS 14 H LYS 14 -2.396 1.496 -8.575 100 HA LYS 14 HA LYS 14 -0.205 3.440 -8.730 101 HB2 LYS 14 2HB LYS 14 -2.998 3.536 -9.888 102 HB3 LYS 14 1HB LYS 14 -1.790 4.799 -10.080 103 HG2 LYS 14 2HG LYS 14 -0.310 3.124 -11.195 104 HG3 LYS 14 1HG LYS 14 -1.649 1.974 -11.129 105 HD2 LYS 14 2HD LYS 14 -1.700 4.660 -12.530 106 HD3 LYS 14 1HD LYS 14 -1.486 3.099 -13.321 107 HE2 LYS 14 2HE LYS 14 -3.913 3.872 -11.701 108 HE3 LYS 14 1HE LYS 14 -3.807 3.991 -13.456 109 HZ1 LYS 14 3HZ LYS 14 -3.545 1.489 -11.877 110 HZ2 LYS 14 1HZ LYS 14 -3.454 1.607 -13.560 111 HZ3 LYS 14 2HZ LYS 14 -4.903 1.958 -12.765 112 H LEU 15 H LEU 15 0.091 4.378 -6.826 113 HA LEU 15 HA LEU 15 -2.168 5.236 -5.176 114 HB2 LEU 15 2HB LEU 15 0.795 5.411 -4.589 115 HB3 LEU 15 1HB LEU 15 -0.522 5.585 -3.440 116 HG LEU 15 HG LEU 15 0.231 3.040 -4.897 117 HD11 LEU 15 1HD1 LEU 15 1.852 3.655 -3.178 118 HD12 LEU 15 2HD1 LEU 15 0.936 2.221 -2.717 119 HD13 LEU 15 3HD1 LEU 15 0.554 3.783 -1.990 120 HD21 LEU 15 3HD2 LEU 15 -1.896 3.526 -2.810 121 HD22 LEU 15 1HD2 LEU 15 -1.421 1.952 -3.450 122 HD23 LEU 15 2HD2 LEU 15 -2.166 3.147 -4.511 123 H THR 16 H THR 16 -1.687 7.445 -3.996 124 HA THR 16 HA THR 16 -0.484 9.419 -5.814 125 HB THR 16 HB THR 16 -3.280 9.732 -4.673 126 HG1 THR 16 HG1 THR 16 -2.299 8.793 -7.087 127 HG21 THR 16 3HG2 THR 16 -2.100 11.871 -4.759 128 HG22 THR 16 1HG2 THR 16 -3.339 11.808 -6.010 129 HG23 THR 16 2HG2 THR 16 -1.646 11.571 -6.436 130 H VAL 17 H VAL 17 1.115 10.175 -4.550 131 HA VAL 17 HA VAL 17 0.656 10.509 -1.672 132 HB VAL 17 HB VAL 17 2.634 9.224 -2.431 133 HG11 VAL 17 1HG1 VAL 17 3.144 10.463 -4.474 134 HG12 VAL 17 2HG1 VAL 17 4.553 10.369 -3.418 135 HG13 VAL 17 3HG1 VAL 17 3.624 11.863 -3.516 136 HG21 VAL 17 3HG2 VAL 17 4.262 10.300 -0.942 137 HG22 VAL 17 1HG2 VAL 17 2.643 10.287 -0.241 138 HG23 VAL 17 2HG2 VAL 17 3.287 11.771 -0.943 139 H LYS 18 H LYS 18 0.919 12.447 -0.579 140 HA LYS 18 HA LYS 18 0.726 14.875 -2.173 141 HB2 LYS 18 2HB LYS 18 0.499 14.400 0.805 142 HB3 LYS 18 1HB LYS 18 0.338 15.979 0.048 143 HG2 LYS 18 2HG LYS 18 -1.596 15.160 -1.225 144 HG3 LYS 18 1HG LYS 18 -1.445 13.593 -0.426 145 HD2 LYS 18 2HD LYS 18 -1.814 14.670 1.752 146 HD3 LYS 18 1HD LYS 18 -1.957 16.238 0.954 147 HE2 LYS 18 2HE LYS 18 -4.154 15.284 1.496 148 HE3 LYS 18 1HE LYS 18 -3.931 15.469 -0.245 149 HZ1 LYS 18 3HZ LYS 18 -3.447 13.132 -0.419 150 HZ2 LYS 18 1HZ LYS 18 -4.935 13.339 0.354 151 HZ3 LYS 18 2HZ LYS 18 -3.565 12.936 1.255 152 H PHE 19 H PHE 19 2.644 15.657 -2.889 153 HA PHE 19 HA PHE 19 4.911 15.935 -1.064 154 HB2 PHE 19 2HB PHE 19 4.559 15.983 -3.934 155 HB3 PHE 19 1HB PHE 19 5.349 17.467 -3.428 156 HD1 PHE 19 HD1 PHE 19 7.351 17.109 -1.718 157 HD2 PHE 19 HD2 PHE 19 5.873 14.153 -4.410 158 HE1 PHE 19 HE1 PHE 19 9.510 15.934 -1.609 159 HE2 PHE 19 HE2 PHE 19 8.026 12.974 -4.297 160 HZ PHE 19 HZ PHE 19 9.848 13.862 -2.898 161 H GLY 20 H GLY 20 3.453 17.196 0.426 162 HA2 GLY 20 2HA GLY 20 2.748 19.174 1.369 163 HA3 GLY 20 1HA GLY 20 3.808 20.004 0.238 164 H GLY 21 H GLY 21 2.924 21.018 -1.521 165 HA2 GLY 21 2HA GLY 21 -0.004 21.061 -1.711 166 HA3 GLY 21 1HA GLY 21 1.100 22.202 -2.453 167 H LYS 22 H LYS 22 2.274 19.157 -3.018 168 HA LYS 22 HA LYS 22 1.078 19.071 -5.715 169 HB2 LYS 22 2HB LYS 22 3.639 17.834 -4.669 170 HB3 LYS 22 1HB LYS 22 3.078 17.754 -6.332 171 HG2 LYS 22 2HG LYS 22 3.713 20.333 -4.903 172 HG3 LYS 22 1HG LYS 22 4.873 19.441 -5.888 173 HD2 LYS 22 2HD LYS 22 2.220 20.506 -6.881 174 HD3 LYS 22 1HD LYS 22 3.778 21.301 -7.113 175 HE2 LYS 22 2HE LYS 22 4.581 19.282 -8.313 176 HE3 LYS 22 1HE LYS 22 2.970 18.582 -8.154 177 HZ1 LYS 22 3HZ LYS 22 3.565 21.135 -9.544 178 HZ2 LYS 22 1HZ LYS 22 2.074 20.345 -9.481 179 HZ3 LYS 22 2HZ LYS 22 3.366 19.649 -10.317 180 H SER 23 H SER 23 0.222 17.146 -6.545 181 HA SER 23 HA SER 23 0.033 14.853 -4.681 182 HB2 SER 23 2HB SER 23 -2.133 14.281 -5.724 183 HB3 SER 23 1HB SER 23 -2.176 15.886 -4.997 184 HG SER 23 HG SER 23 -1.701 15.383 -7.761 185 H ILE 24 H ILE 24 1.572 13.489 -5.386 186 HA ILE 24 HA ILE 24 2.052 13.192 -8.269 187 HB ILE 24 HB ILE 24 3.753 12.114 -6.010 188 HG12 ILE 24 2HG1 ILE 24 3.600 14.530 -5.727 189 HG13 ILE 24 1HG1 ILE 24 5.195 14.112 -6.338 190 HG21 ILE 24 1HG2 ILE 24 4.150 11.075 -8.178 191 HG22 ILE 24 2HG2 ILE 24 5.527 12.074 -7.706 192 HG23 ILE 24 3HG2 ILE 24 4.382 12.661 -8.912 193 HD11 ILE 24 3HD1 ILE 24 4.336 16.109 -7.403 194 HD12 ILE 24 1HD1 ILE 24 2.911 15.230 -7.952 195 HD13 ILE 24 2HD1 ILE 24 4.504 14.808 -8.580 196 HA PRO 25 HA PRO 25 0.139 9.083 -7.922 197 HB2 PRO 25 2HB PRO 25 0.080 8.533 -10.567 198 HB3 PRO 25 1HB PRO 25 -1.077 9.628 -9.803 199 HG2 PRO 25 2HG PRO 25 1.370 10.269 -11.400 200 HG3 PRO 25 1HG PRO 25 -0.221 11.049 -11.428 201 HD2 PRO 25 2HD PRO 25 1.959 12.051 -10.080 202 HD3 PRO 25 1HD PRO 25 0.276 12.398 -9.636 203 H LEU 26 H LEU 26 1.179 7.198 -7.531 204 HA LEU 26 HA LEU 26 3.790 6.689 -8.831 205 HB2 LEU 26 2HB LEU 26 3.075 6.151 -5.943 206 HB3 LEU 26 1HB LEU 26 4.598 5.746 -6.711 207 HG LEU 26 HG LEU 26 3.558 8.555 -6.263 208 HD11 LEU 26 1HD1 LEU 26 5.339 8.715 -4.598 209 HD12 LEU 26 2HD1 LEU 26 5.757 7.024 -4.872 210 HD13 LEU 26 3HD1 LEU 26 4.189 7.443 -4.183 211 HD21 LEU 26 3HD2 LEU 26 4.944 8.433 -8.260 212 HD22 LEU 26 1HD2 LEU 26 6.201 7.579 -7.363 213 HD23 LEU 26 2HD2 LEU 26 5.813 9.254 -6.963 214 H SER 27 H SER 27 3.917 4.745 -9.808 215 HA SER 27 HA SER 27 1.911 2.683 -9.156 216 HB2 SER 27 2HB SER 27 2.492 1.685 -11.352 217 HB3 SER 27 1HB SER 27 1.945 3.353 -11.511 218 HG SER 27 HG SER 27 4.668 2.525 -11.441 219 H VAL 28 H VAL 28 2.662 1.323 -7.625 220 HA VAL 28 HA VAL 28 5.322 0.089 -8.028 221 HB VAL 28 HB VAL 28 5.728 0.093 -5.590 222 HG11 VAL 28 1HG1 VAL 28 6.723 1.857 -6.948 223 HG12 VAL 28 2HG1 VAL 28 6.290 2.477 -5.355 224 HG13 VAL 28 3HG1 VAL 28 5.278 2.848 -6.751 225 HG21 VAL 28 3HG2 VAL 28 4.376 1.471 -4.093 226 HG22 VAL 28 1HG2 VAL 28 3.387 0.219 -4.846 227 HG23 VAL 28 2HG2 VAL 28 3.294 1.882 -5.427 228 H SER 29 H SER 29 5.539 -1.869 -6.405 229 HA SER 29 HA SER 29 3.107 -3.496 -6.673 230 HB2 SER 29 2HB SER 29 5.980 -4.294 -6.118 231 HB3 SER 29 1HB SER 29 4.630 -5.429 -6.153 232 HG SER 29 HG SER 29 4.264 -4.796 -8.332 233 HA PRO 30 HA PRO 30 2.086 -2.881 -2.417 234 HB2 PRO 30 2HB PRO 30 0.598 -5.168 -2.011 235 HB3 PRO 30 1HB PRO 30 -0.003 -3.708 -2.804 236 HG2 PRO 30 2HG PRO 30 1.054 -6.235 -4.033 237 HG3 PRO 30 1HG PRO 30 -0.355 -5.264 -4.506 238 HD2 PRO 30 2HD PRO 30 1.959 -5.105 -5.848 239 HD3 PRO 30 1HD PRO 30 0.951 -3.665 -5.579 240 H ASP 31 H ASP 31 3.594 -5.912 -3.402 241 HA ASP 31 HA ASP 31 4.109 -6.865 -0.756 242 HB2 ASP 31 2HB ASP 31 5.333 -7.647 -3.413 243 HB3 ASP 31 1HB ASP 31 5.605 -8.504 -1.898 244 H CYS 32 H CYS 32 5.539 -4.354 -2.497 245 HA CYS 32 HA CYS 32 8.224 -4.621 -1.464 246 HB2 CYS 32 2HB CYS 32 6.788 -2.368 -2.874 247 HB3 CYS 32 1HB CYS 32 8.441 -2.216 -2.283 248 HG CYS 32 HG CYS 32 9.440 -3.008 -4.484 249 H THR 33 H THR 33 9.210 -3.332 0.150 250 HA THR 33 HA THR 33 7.439 -2.525 2.311 251 HB THR 33 HB THR 33 9.404 -2.224 3.664 252 HG1 THR 33 HG1 THR 33 11.528 -2.559 2.538 253 HG21 THR 33 3HG2 THR 33 9.828 -4.612 1.854 254 HG22 THR 33 1HG2 THR 33 8.775 -4.564 3.272 255 HG23 THR 33 2HG2 THR 33 10.523 -4.402 3.463 256 H VAL 34 H VAL 34 7.626 -0.408 3.372 257 HA VAL 34 HA VAL 34 7.560 1.742 1.509 258 HB VAL 34 HB VAL 34 7.211 3.202 3.421 259 HG11 VAL 34 1HG1 VAL 34 5.717 0.584 3.681 260 HG12 VAL 34 2HG1 VAL 34 5.323 1.902 2.577 261 HG13 VAL 34 3HG1 VAL 34 5.187 2.140 4.317 262 HG21 VAL 34 3HG2 VAL 34 7.247 2.327 5.718 263 HG22 VAL 34 1HG2 VAL 34 8.842 2.248 4.968 264 HG23 VAL 34 2HG2 VAL 34 7.863 0.787 5.120 265 H LYS 35 H LYS 35 10.108 0.366 3.426 266 HA LYS 35 HA LYS 35 11.924 2.569 3.122 267 HB2 LYS 35 2HB LYS 35 12.225 0.934 4.927 268 HB3 LYS 35 1HB LYS 35 12.484 -0.343 3.747 269 HG2 LYS 35 2HG LYS 35 14.568 0.529 3.090 270 HG3 LYS 35 1HG LYS 35 14.252 2.087 3.853 271 HD2 LYS 35 2HD LYS 35 15.862 0.763 5.145 272 HD3 LYS 35 1HD LYS 35 14.385 1.056 6.062 273 HE2 LYS 35 2HE LYS 35 13.597 -1.211 5.426 274 HE3 LYS 35 1HE LYS 35 15.143 -1.490 4.624 275 HZ1 LYS 35 3HZ LYS 35 14.812 -0.880 7.511 276 HZ2 LYS 35 1HZ LYS 35 16.265 -1.242 6.730 277 HZ3 LYS 35 2HZ LYS 35 15.063 -2.423 6.873 278 H ASP 36 H ASP 36 11.231 -0.396 1.313 279 HA ASP 36 HA ASP 36 13.191 -0.112 -0.688 280 HB2 ASP 36 2HB ASP 36 11.809 -2.148 -0.397 281 HB3 ASP 36 1HB ASP 36 10.389 -1.256 -0.938 282 H LEU 37 H LEU 37 9.905 1.214 -0.401 283 HA LEU 37 HA LEU 37 9.754 2.660 -2.776 284 HB2 LEU 37 2HB LEU 37 8.686 3.352 -0.038 285 HB3 LEU 37 1HB LEU 37 8.269 4.236 -1.495 286 HG LEU 37 HG LEU 37 7.627 1.342 -0.901 287 HD11 LEU 37 1HD1 LEU 37 6.226 2.927 0.310 288 HD12 LEU 37 2HD1 LEU 37 5.302 2.119 -0.953 289 HD13 LEU 37 3HD1 LEU 37 5.860 3.775 -1.193 290 HD21 LEU 37 3HD2 LEU 37 7.041 2.986 -3.369 291 HD22 LEU 37 1HD2 LEU 37 6.408 1.372 -3.036 292 HD23 LEU 37 2HD2 LEU 37 8.140 1.611 -3.265 293 H LYS 38 H LYS 38 11.128 3.712 0.357 294 HA LYS 38 HA LYS 38 11.937 6.275 -0.314 295 HB2 LYS 38 2HB LYS 38 13.410 4.263 1.401 296 HB3 LYS 38 1HB LYS 38 13.771 5.983 1.344 297 HG2 LYS 38 2HG LYS 38 11.487 6.455 2.182 298 HG3 LYS 38 1HG LYS 38 11.215 4.713 2.318 299 HD2 LYS 38 2HD LYS 38 13.048 4.520 3.904 300 HD3 LYS 38 1HD LYS 38 13.412 6.236 3.728 301 HE2 LYS 38 2HE LYS 38 11.112 6.728 4.600 302 HE3 LYS 38 1HE LYS 38 10.933 5.003 4.929 303 HZ1 LYS 38 3HZ LYS 38 11.644 6.224 6.889 304 HZ2 LYS 38 1HZ LYS 38 13.027 6.764 6.080 305 HZ3 LYS 38 2HZ LYS 38 12.830 5.117 6.409 306 H SER 39 H SER 39 13.619 3.217 -0.911 307 HA SER 39 HA SER 39 15.946 4.386 -2.071 308 HB2 SER 39 2HB SER 39 16.014 2.149 -1.096 309 HB3 SER 39 1HB SER 39 14.871 1.561 -2.301 310 HG SER 39 HG SER 39 16.606 1.121 -3.403 311 H GLN 40 H GLN 40 12.894 3.236 -3.401 312 HA GLN 40 HA GLN 40 13.744 3.366 -6.141 313 HB2 GLN 40 2HB GLN 40 10.995 3.162 -4.895 314 HB3 GLN 40 1HB GLN 40 11.293 3.097 -6.629 315 HG2 GLN 40 2HG GLN 40 12.681 1.104 -6.319 316 HG3 GLN 40 1HG GLN 40 12.375 1.160 -4.584 317 HE21 GLN 40 1HE2 GLN 40 9.594 1.922 -4.871 318 HE22 GLN 40 2HE2 GLN 40 8.761 0.517 -5.420 319 H LEU 41 H LEU 41 11.901 5.524 -4.018 320 HA LEU 41 HA LEU 41 11.328 7.438 -6.075 321 HB2 LEU 41 2HB LEU 41 11.151 7.662 -3.068 322 HB3 LEU 41 1HB LEU 41 10.541 8.860 -4.194 323 HG LEU 41 HG LEU 41 9.548 6.012 -3.946 324 HD11 LEU 41 1HD1 LEU 41 8.896 7.391 -2.045 325 HD12 LEU 41 2HD1 LEU 41 7.505 7.022 -3.064 326 HD13 LEU 41 3HD1 LEU 41 8.253 8.618 -3.140 327 HD21 LEU 41 3HD2 LEU 41 9.384 6.824 -6.242 328 HD22 LEU 41 1HD2 LEU 41 8.559 8.280 -5.681 329 HD23 LEU 41 2HD2 LEU 41 7.789 6.704 -5.504 330 H GLN 42 H GLN 42 13.922 7.038 -3.750 331 HA GLN 42 HA GLN 42 14.852 9.609 -3.452 332 HB2 GLN 42 2HB GLN 42 15.744 7.781 -2.160 333 HB3 GLN 42 1HB GLN 42 16.459 7.056 -3.592 334 HG2 GLN 42 2HG GLN 42 17.961 8.987 -3.809 335 HG3 GLN 42 1HG GLN 42 17.247 9.692 -2.360 336 HE21 GLN 42 1HE2 GLN 42 19.202 9.688 -1.266 337 HE22 GLN 42 2HE2 GLN 42 19.937 8.240 -0.682 338 HA PRO 43 HA PRO 43 17.755 9.241 -7.351 339 HB2 PRO 43 2HB PRO 43 16.370 7.251 -9.051 340 HB3 PRO 43 1HB PRO 43 18.091 7.412 -8.685 341 HG2 PRO 43 2HG PRO 43 16.630 5.418 -7.650 342 HG3 PRO 43 1HG PRO 43 17.919 6.201 -6.713 343 HD2 PRO 43 2HD PRO 43 14.948 6.621 -6.569 344 HD3 PRO 43 1HD PRO 43 16.129 6.470 -5.249 345 H ILE 44 H ILE 44 14.328 9.220 -7.281 346 HA ILE 44 HA ILE 44 14.088 10.714 -9.803 347 HB ILE 44 HB ILE 44 11.911 9.658 -7.982 348 HG12 ILE 44 2HG1 ILE 44 12.951 8.562 -10.614 349 HG13 ILE 44 1HG1 ILE 44 13.244 7.858 -9.027 350 HG21 ILE 44 1HG2 ILE 44 11.167 11.585 -9.280 351 HG22 ILE 44 2HG2 ILE 44 10.398 10.107 -9.861 352 HG23 ILE 44 3HG2 ILE 44 11.733 10.820 -10.767 353 HD11 ILE 44 3HD1 ILE 44 10.561 8.135 -10.365 354 HD12 ILE 44 1HD1 ILE 44 10.854 7.434 -8.772 355 HD13 ILE 44 2HD1 ILE 44 11.508 6.655 -10.212 356 H THR 45 H THR 45 13.148 10.992 -6.378 357 HA THR 45 HA THR 45 12.315 13.763 -6.736 358 HB THR 45 HB THR 45 11.576 13.614 -4.379 359 HG1 THR 45 HG1 THR 45 11.686 11.191 -3.674 360 HG21 THR 45 3HG2 THR 45 10.701 11.262 -6.077 361 HG22 THR 45 1HG2 THR 45 10.045 12.899 -6.159 362 HG23 THR 45 2HG2 THR 45 9.815 11.928 -4.705 363 H ASN 46 H ASN 46 15.097 12.058 -5.667 364 HA ASN 46 HA ASN 46 17.164 12.742 -5.033 365 HB2 ASN 46 2HB ASN 46 16.078 15.526 -5.506 366 HB3 ASN 46 1HB ASN 46 17.771 15.140 -5.215 367 HD21 ASN 46 1HD2 ASN 46 16.382 16.316 -7.550 368 HD22 ASN 46 2HD2 ASN 46 16.828 15.320 -8.890 369 H VAL 47 H VAL 47 14.718 12.719 -3.109 370 HA VAL 47 HA VAL 47 15.935 14.204 -0.881 371 HB VAL 47 HB VAL 47 13.535 14.548 -1.196 372 HG11 VAL 47 1HG1 VAL 47 12.927 12.443 -2.225 373 HG12 VAL 47 2HG1 VAL 47 11.930 12.719 -0.799 374 HG13 VAL 47 3HG1 VAL 47 13.272 11.578 -0.729 375 HG21 VAL 47 3HG2 VAL 47 14.133 12.965 1.312 376 HG22 VAL 47 1HG2 VAL 47 12.773 14.067 1.085 377 HG23 VAL 47 2HG2 VAL 47 14.424 14.688 1.074 378 H LEU 48 H LEU 48 16.554 13.194 1.065 379 HA LEU 48 HA LEU 48 17.647 10.559 0.696 380 HB2 LEU 48 2HB LEU 48 17.690 12.405 3.087 381 HB3 LEU 48 1HB LEU 48 18.602 10.912 2.961 382 HG LEU 48 HG LEU 48 18.964 13.366 1.227 383 HD11 LEU 48 1HD1 LEU 48 20.719 12.172 3.373 384 HD12 LEU 48 2HD1 LEU 48 19.817 13.686 3.474 385 HD13 LEU 48 3HD1 LEU 48 21.150 13.531 2.329 386 HD21 LEU 48 3HD2 LEU 48 20.486 10.751 1.208 387 HD22 LEU 48 1HD2 LEU 48 20.889 12.194 0.272 388 HD23 LEU 48 2HD2 LEU 48 19.389 11.325 -0.050 389 HA PRO 49 HA PRO 49 14.566 7.936 2.467 390 HB2 PRO 49 2HB PRO 49 16.173 6.230 3.963 391 HB3 PRO 49 1HB PRO 49 15.856 6.077 2.232 392 HG2 PRO 49 2HG PRO 49 18.200 7.315 3.629 393 HG3 PRO 49 1HG PRO 49 18.172 6.283 2.186 394 HD2 PRO 49 2HD PRO 49 18.490 8.927 1.975 395 HD3 PRO 49 1HD PRO 49 17.498 8.037 0.799 396 H ARG 50 H ARG 50 16.858 9.486 4.632 397 HA ARG 50 HA ARG 50 15.446 8.943 7.055 398 HB2 ARG 50 2HB ARG 50 17.802 9.528 7.119 399 HB3 ARG 50 1HB ARG 50 17.474 11.086 6.373 400 HG2 ARG 50 2HG ARG 50 16.253 11.811 8.346 401 HG3 ARG 50 1HG ARG 50 16.469 10.224 9.087 402 HD2 ARG 50 2HD ARG 50 18.714 12.097 8.326 403 HD3 ARG 50 1HD ARG 50 18.045 11.936 9.949 404 HE ARG 50 HE ARG 50 18.827 9.399 9.066 405 HH11 ARG 50 1HH1 ARG 50 20.260 12.409 9.913 406 HH12 ARG 50 2HH1 ARG 50 21.713 11.675 10.491 407 HH21 ARG 50 1HH2 ARG 50 20.683 8.464 9.802 408 HH22 ARG 50 2HH2 ARG 50 21.958 9.460 10.419 409 H GLY 51 H GLY 51 15.340 11.571 4.691 410 HA2 GLY 51 2HA GLY 51 13.556 13.195 6.293 411 HA3 GLY 51 1HA GLY 51 14.089 13.531 4.656 412 H GLN 52 H GLN 52 13.180 10.707 3.920 413 HA GLN 52 HA GLN 52 10.579 11.452 3.017 414 HB2 GLN 52 2HB GLN 52 12.117 8.856 2.843 415 HB3 GLN 52 1HB GLN 52 10.514 9.066 2.147 416 HG2 GLN 52 2HG GLN 52 11.374 10.896 0.752 417 HG3 GLN 52 1HG GLN 52 12.980 10.645 1.433 418 HE21 GLN 52 1HE2 GLN 52 14.201 8.921 0.728 419 HE22 GLN 52 2HE2 GLN 52 13.752 7.938 -0.619 420 H LYS 53 H LYS 53 9.324 11.826 4.871 421 HA LYS 53 HA LYS 53 8.641 9.560 6.576 422 HB2 LYS 53 2HB LYS 53 7.658 12.418 6.512 423 HB3 LYS 53 1HB LYS 53 7.040 11.208 7.626 424 HG2 LYS 53 2HG LYS 53 9.302 10.951 8.565 425 HG3 LYS 53 1HG LYS 53 9.880 12.218 7.479 426 HD2 LYS 53 2HD LYS 53 8.369 13.824 8.512 427 HD3 LYS 53 1HD LYS 53 7.696 12.564 9.549 428 HE2 LYS 53 2HE LYS 53 9.941 12.265 10.568 429 HE3 LYS 53 1HE LYS 53 10.536 13.602 9.584 430 HZ1 LYS 53 3HZ LYS 53 9.951 14.285 11.848 431 HZ2 LYS 53 1HZ LYS 53 8.346 13.807 11.587 432 HZ3 LYS 53 2HZ LYS 53 9.010 15.083 10.694 433 H LEU 54 H LEU 54 7.447 8.059 5.494 434 HA LEU 54 HA LEU 54 5.241 8.857 3.773 435 HB2 LEU 54 2HB LEU 54 6.283 6.139 4.589 436 HB3 LEU 54 1HB LEU 54 4.933 6.382 3.494 437 HG LEU 54 HG LEU 54 7.766 7.330 2.989 438 HD11 LEU 54 1HD1 LEU 54 7.577 4.885 2.912 439 HD12 LEU 54 2HD1 LEU 54 7.869 5.571 1.313 440 HD13 LEU 54 3HD1 LEU 54 6.250 5.027 1.757 441 HD21 LEU 54 3HD2 LEU 54 6.950 7.790 0.717 442 HD22 LEU 54 1HD2 LEU 54 6.111 8.764 1.926 443 HD23 LEU 54 2HD2 LEU 54 5.315 7.354 1.223 444 H ILE 55 H ILE 55 3.407 9.496 4.739 445 HA ILE 55 HA ILE 55 2.457 8.025 7.123 446 HB ILE 55 HB ILE 55 1.824 10.895 6.380 447 HG12 ILE 55 2HG1 ILE 55 3.721 9.842 8.508 448 HG13 ILE 55 1HG1 ILE 55 4.213 10.590 6.993 449 HG21 ILE 55 1HG2 ILE 55 0.888 11.040 8.640 450 HG22 ILE 55 2HG2 ILE 55 1.263 9.338 8.914 451 HG23 ILE 55 3HG2 ILE 55 0.072 9.795 7.695 452 HD11 ILE 55 3HD1 ILE 55 3.121 12.681 7.707 453 HD12 ILE 55 1HD1 ILE 55 4.410 12.165 8.798 454 HD13 ILE 55 2HD1 ILE 55 2.722 11.918 9.247 455 H PHE 56 H PHE 56 0.429 7.170 7.092 456 HA PHE 56 HA PHE 56 -1.537 8.000 5.114 457 HB2 PHE 56 2HB PHE 56 -0.216 6.346 3.881 458 HB3 PHE 56 1HB PHE 56 -0.445 5.172 5.170 459 HD1 PHE 56 HD1 PHE 56 -2.585 7.376 3.023 460 HD2 PHE 56 HD2 PHE 56 -1.991 3.525 4.749 461 HE1 PHE 56 HE1 PHE 56 -4.606 6.554 1.885 462 HE2 PHE 56 HE2 PHE 56 -4.015 2.704 3.622 463 HZ PHE 56 HZ PHE 56 -5.326 4.219 2.186 464 H LYS 57 H LYS 57 -3.525 7.959 5.988 465 HA LYS 57 HA LYS 57 -5.255 7.604 7.416 466 HB2 LYS 57 2HB LYS 57 -4.010 4.850 7.487 467 HB3 LYS 57 1HB LYS 57 -5.550 5.227 8.246 468 HG2 LYS 57 2HG LYS 57 -4.947 5.545 5.308 469 HG3 LYS 57 1HG LYS 57 -5.796 4.178 6.029 470 HD2 LYS 57 2HD LYS 57 -7.558 5.694 6.822 471 HD3 LYS 57 1HD LYS 57 -6.705 7.064 6.111 472 HE2 LYS 57 2HE LYS 57 -6.960 6.053 3.884 473 HE3 LYS 57 1HE LYS 57 -7.825 4.694 4.602 474 HZ1 LYS 57 3HZ LYS 57 -9.545 6.224 5.335 475 HZ2 LYS 57 1HZ LYS 57 -9.343 6.319 3.658 476 HZ3 LYS 57 2HZ LYS 57 -8.713 7.528 4.657 477 H GLY 58 H GLY 58 -2.725 8.637 8.541 478 HA2 GLY 58 2HA GLY 58 -2.410 9.545 10.684 479 HA3 GLY 58 1HA GLY 58 -3.472 8.315 11.345 480 H LYS 59 H LYS 59 -1.499 6.492 9.546 481 HA LYS 59 HA LYS 59 0.360 6.080 11.796 482 HB2 LYS 59 2HB LYS 59 -1.006 4.126 11.183 483 HB3 LYS 59 1HB LYS 59 -0.375 4.190 9.540 484 HG2 LYS 59 2HG LYS 59 1.891 3.762 10.407 485 HG3 LYS 59 1HG LYS 59 1.238 3.666 12.039 486 HD2 LYS 59 2HD LYS 59 1.496 1.431 11.336 487 HD3 LYS 59 1HD LYS 59 -0.227 1.759 11.189 488 HE2 LYS 59 2HE LYS 59 1.606 2.098 8.834 489 HE3 LYS 59 1HE LYS 59 1.000 0.504 9.275 490 HZ1 LYS 59 3HZ LYS 59 -0.665 2.868 8.600 491 HZ2 LYS 59 1HZ LYS 59 -1.257 1.351 9.050 492 HZ3 LYS 59 2HZ LYS 59 -0.395 1.525 7.609 493 H VAL 60 H VAL 60 2.405 6.771 11.565 494 HA VAL 60 HA VAL 60 3.603 7.323 9.017 495 HB VAL 60 HB VAL 60 4.950 6.989 11.719 496 HG11 VAL 60 1HG1 VAL 60 6.521 6.746 9.861 497 HG12 VAL 60 2HG1 VAL 60 6.806 8.255 10.728 498 HG13 VAL 60 3HG1 VAL 60 5.967 8.276 9.176 499 HG21 VAL 60 3HG2 VAL 60 4.902 9.443 11.838 500 HG22 VAL 60 1HG2 VAL 60 3.274 8.774 11.754 501 HG23 VAL 60 2HG2 VAL 60 4.000 9.502 10.324 502 H LEU 61 H LEU 61 4.076 5.730 7.647 503 HA LEU 61 HA LEU 61 4.033 3.020 8.231 504 HB2 LEU 61 2HB LEU 61 5.146 4.575 5.919 505 HB3 LEU 61 1HB LEU 61 5.311 2.834 5.981 506 HG LEU 61 HG LEU 61 3.408 3.462 4.598 507 HD11 LEU 61 1HD1 LEU 61 1.680 2.097 5.646 508 HD12 LEU 61 2HD1 LEU 61 2.518 2.202 7.193 509 HD13 LEU 61 3HD1 LEU 61 3.273 1.365 5.838 510 HD21 LEU 61 3HD2 LEU 61 1.437 4.562 5.533 511 HD22 LEU 61 1HD2 LEU 61 2.857 5.605 5.625 512 HD23 LEU 61 2HD2 LEU 61 2.278 4.776 7.070 513 H VAL 62 H VAL 62 5.338 1.934 9.533 514 HA VAL 62 HA VAL 62 8.032 2.519 10.130 515 HB VAL 62 HB VAL 62 6.652 -0.176 10.310 516 HG11 VAL 62 1HG1 VAL 62 9.036 0.909 11.822 517 HG12 VAL 62 2HG1 VAL 62 9.080 -0.324 10.562 518 HG13 VAL 62 3HG1 VAL 62 8.268 -0.657 12.091 519 HG21 VAL 62 3HG2 VAL 62 6.089 0.446 12.619 520 HG22 VAL 62 1HG2 VAL 62 5.343 1.535 11.449 521 HG23 VAL 62 2HG2 VAL 62 6.767 2.053 12.351 522 H GLU 63 H GLU 63 9.980 1.723 9.273 523 HA GLU 63 HA GLU 63 10.060 1.289 6.516 524 HB2 GLU 63 2HB GLU 63 12.204 0.587 8.536 525 HB3 GLU 63 1HB GLU 63 12.443 0.754 6.802 526 HG2 GLU 63 2HG GLU 63 11.578 3.144 7.092 527 HG3 GLU 63 1HG GLU 63 11.824 2.890 8.819 528 H THR 64 H THR 64 9.859 -1.047 9.114 529 HA THR 64 HA THR 64 10.391 -3.331 7.414 530 HB THR 64 HB THR 64 9.752 -4.675 9.422 531 HG1 THR 64 HG1 THR 64 9.806 -2.767 11.282 532 HG21 THR 64 3HG2 THR 64 11.771 -2.481 9.934 533 HG22 THR 64 1HG2 THR 64 12.080 -3.983 9.060 534 HG23 THR 64 2HG2 THR 64 11.689 -4.026 10.779 535 H SER 65 H SER 65 7.868 -1.383 7.280 536 HA SER 65 HA SER 65 5.847 -3.529 7.065 537 HB2 SER 65 2HB SER 65 5.140 -1.725 8.540 538 HB3 SER 65 1HB SER 65 5.468 -0.528 7.286 539 HG SER 65 HG SER 65 3.787 -1.423 6.053 540 H THR 66 H THR 66 4.697 -3.851 5.180 541 HA THR 66 HA THR 66 5.695 -2.479 2.766 542 HB THR 66 HB THR 66 4.778 -4.281 1.461 543 HG1 THR 66 HG1 THR 66 3.721 -6.071 2.703 544 HG21 THR 66 3HG2 THR 66 6.100 -5.440 3.923 545 HG22 THR 66 1HG2 THR 66 6.935 -4.755 2.529 546 HG23 THR 66 2HG2 THR 66 5.977 -6.224 2.348 547 H LEU 67 H LEU 67 3.937 -2.178 1.012 548 HA LEU 67 HA LEU 67 1.797 -0.572 1.988 549 HB2 LEU 67 2HB LEU 67 2.171 -1.845 -0.735 550 HB3 LEU 67 1HB LEU 67 0.930 -0.670 -0.356 551 HG LEU 67 HG LEU 67 2.641 0.490 -1.513 552 HD11 LEU 67 1HD1 LEU 67 3.404 2.144 0.108 553 HD12 LEU 67 2HD1 LEU 67 2.970 1.060 1.430 554 HD13 LEU 67 3HD1 LEU 67 1.714 1.711 0.376 555 HD21 LEU 67 3HD2 LEU 67 4.652 -0.607 0.452 556 HD22 LEU 67 1HD2 LEU 67 4.981 0.482 -0.893 557 HD23 LEU 67 2HD2 LEU 67 4.439 -1.164 -1.207 558 H LYS 68 H LYS 68 2.053 -3.868 0.833 559 HA LYS 68 HA LYS 68 -0.609 -4.685 0.836 560 HB2 LYS 68 2HB LYS 68 1.402 -5.892 -0.063 561 HB3 LYS 68 1HB LYS 68 1.821 -6.326 1.587 562 HG2 LYS 68 2HG LYS 68 -0.264 -7.602 1.781 563 HG3 LYS 68 1HG LYS 68 -0.679 -7.162 0.117 564 HD2 LYS 68 2HD LYS 68 1.451 -8.233 -0.628 565 HD3 LYS 68 1HD LYS 68 1.703 -8.787 1.028 566 HE2 LYS 68 2HE LYS 68 -0.367 -10.083 0.915 567 HE3 LYS 68 1HE LYS 68 -0.645 -9.505 -0.729 568 HZ1 LYS 68 3HZ LYS 68 1.497 -10.543 -1.348 569 HZ2 LYS 68 1HZ LYS 68 0.331 -11.659 -0.836 570 HZ3 LYS 68 2HZ LYS 68 1.587 -11.219 0.203 571 H GLN 69 H GLN 69 1.773 -4.720 3.479 572 HA GLN 69 HA GLN 69 0.056 -5.978 5.385 573 HB2 GLN 69 2HB GLN 69 2.610 -4.394 5.742 574 HB3 GLN 69 1HB GLN 69 1.808 -5.279 7.033 575 HG2 GLN 69 2HG GLN 69 2.187 -7.368 5.918 576 HG3 GLN 69 1HG GLN 69 2.824 -6.546 4.494 577 HE21 GLN 69 1HE2 GLN 69 4.070 -8.545 6.220 578 HE22 GLN 69 2HE2 GLN 69 5.527 -7.825 6.803 579 H SER 70 H SER 70 0.219 -2.758 4.245 580 HA SER 70 HA SER 70 -1.228 -1.764 6.624 581 HB2 SER 70 2HB SER 70 0.823 -0.505 5.991 582 HB3 SER 70 1HB SER 70 0.101 -0.150 4.422 583 HG SER 70 HG SER 70 -1.602 0.930 5.579 584 H ASP 71 H ASP 71 -2.069 -3.236 3.963 585 HA ASP 71 HA ASP 71 -3.918 -3.371 2.666 586 HB2 ASP 71 2HB ASP 71 -4.984 -1.539 4.817 587 HB3 ASP 71 1HB ASP 71 -5.992 -2.173 3.519 588 H VAL 72 H VAL 72 -1.904 -1.262 2.087 589 HA VAL 72 HA VAL 72 -3.395 0.934 0.938 590 HB VAL 72 HB VAL 72 -0.471 0.234 0.572 591 HG11 VAL 72 1HG1 VAL 72 -0.202 2.588 -0.049 592 HG12 VAL 72 2HG1 VAL 72 -1.941 2.837 0.116 593 HG13 VAL 72 3HG1 VAL 72 -1.319 1.764 -1.139 594 HG21 VAL 72 3HG2 VAL 72 -1.032 0.542 2.942 595 HG22 VAL 72 1HG2 VAL 72 -1.739 2.115 2.572 596 HG23 VAL 72 2HG2 VAL 72 -0.009 1.850 2.344 597 H GLY 73 H GLY 73 -4.716 0.238 -0.706 598 HA2 GLY 73 2HA GLY 73 -3.526 -1.344 -2.901 599 HA3 GLY 73 1HA GLY 73 -5.245 -1.150 -2.594 600 H SER 74 H SER 74 -4.540 -0.799 -5.121 601 HA SER 74 HA SER 74 -3.489 1.644 -5.969 602 HB2 SER 74 2HB SER 74 -3.869 -0.311 -7.458 603 HB3 SER 74 1HB SER 74 -5.601 0.005 -7.399 604 HG SER 74 HG SER 74 -4.991 1.063 -9.180 605 H GLY 75 H GLY 75 -4.225 3.682 -6.005 606 HA2 GLY 75 2HA GLY 75 -5.939 5.335 -6.311 607 HA3 GLY 75 1HA GLY 75 -7.120 4.184 -5.709 608 H ALA 76 H ALA 76 -4.571 3.848 -3.682 609 HA ALA 76 HA ALA 76 -5.796 5.381 -1.579 610 HB1 ALA 76 3HB ALA 76 -4.761 3.182 -1.167 611 HB2 ALA 76 1HB ALA 76 -4.084 4.447 -0.140 612 HB3 ALA 76 2HB ALA 76 -3.183 3.872 -1.544 613 H LYS 77 H LYS 77 -5.123 7.276 -0.646 614 HA LYS 77 HA LYS 77 -3.038 8.761 -2.096 615 HB2 LYS 77 2HB LYS 77 -5.263 9.768 -0.309 616 HB3 LYS 77 1HB LYS 77 -4.079 10.789 -1.117 617 HG2 LYS 77 2HG LYS 77 -4.890 9.957 -3.297 618 HG3 LYS 77 1HG LYS 77 -6.115 9.008 -2.454 619 HD2 LYS 77 2HD LYS 77 -7.081 11.072 -1.540 620 HD3 LYS 77 1HD LYS 77 -5.850 12.021 -2.379 621 HE2 LYS 77 2HE LYS 77 -6.682 11.146 -4.530 622 HE3 LYS 77 1HE LYS 77 -7.946 10.269 -3.668 623 HZ1 LYS 77 3HZ LYS 77 -8.803 12.321 -4.540 624 HZ2 LYS 77 1HZ LYS 77 -7.599 13.216 -3.758 625 HZ3 LYS 77 2HZ LYS 77 -8.777 12.411 -2.850 626 H LEU 78 H LEU 78 -1.099 8.774 -1.202 627 HA LEU 78 HA LEU 78 -0.767 8.428 1.690 628 HB2 LEU 78 2HB LEU 78 1.360 8.535 -0.460 629 HB3 LEU 78 1HB LEU 78 1.568 7.997 1.197 630 HG LEU 78 HG LEU 78 -0.067 6.591 -0.926 631 HD11 LEU 78 1HD1 LEU 78 2.588 5.863 0.316 632 HD12 LEU 78 2HD1 LEU 78 2.326 6.420 -1.337 633 HD13 LEU 78 3HD1 LEU 78 1.668 4.870 -0.816 634 HD21 LEU 78 3HD2 LEU 78 0.547 5.765 1.915 635 HD22 LEU 78 1HD2 LEU 78 -0.272 4.776 0.703 636 HD23 LEU 78 2HD2 LEU 78 -1.027 6.257 1.287 637 H MET 79 H MET 79 1.004 9.750 2.750 638 HA MET 79 HA MET 79 1.269 12.451 1.575 639 HB2 MET 79 2HB MET 79 -0.289 12.542 3.467 640 HB3 MET 79 1HB MET 79 0.902 11.769 4.504 641 HG2 MET 79 2HG MET 79 2.398 13.703 4.192 642 HG3 MET 79 1HG MET 79 1.155 14.482 3.215 643 HE1 MET 79 3HE MET 79 2.543 15.830 5.749 644 HE2 MET 79 1HE MET 79 1.150 16.565 6.542 645 HE3 MET 79 2HE MET 79 1.302 16.632 4.786 646 H LEU 80 H LEU 80 3.347 13.002 1.210 647 HA LEU 80 HA LEU 80 5.449 11.574 2.709 648 HB2 LEU 80 2HB LEU 80 5.523 11.329 0.262 649 HB3 LEU 80 1HB LEU 80 5.644 13.070 0.088 650 HG LEU 80 HG LEU 80 7.842 13.061 1.160 651 HD11 LEU 80 1HD1 LEU 80 7.509 11.224 2.722 652 HD12 LEU 80 2HD1 LEU 80 8.951 10.953 1.745 653 HD13 LEU 80 3HD1 LEU 80 7.466 10.074 1.385 654 HD21 LEU 80 3HD2 LEU 80 7.746 12.723 -1.260 655 HD22 LEU 80 1HD2 LEU 80 7.635 10.979 -1.022 656 HD23 LEU 80 2HD2 LEU 80 9.098 11.842 -0.554 657 H MET 81 H MET 81 5.781 12.762 4.515 658 HA MET 81 HA MET 81 5.939 15.655 4.408 659 HB2 MET 81 2HB MET 81 4.938 14.484 6.354 660 HB3 MET 81 1HB MET 81 6.502 13.772 6.716 661 HG2 MET 81 2HG MET 81 7.413 16.055 7.036 662 HG3 MET 81 1HG MET 81 5.787 16.696 6.800 663 HE1 MET 81 3HE MET 81 7.485 17.394 9.366 664 HE2 MET 81 1HE MET 81 6.277 17.190 10.637 665 HE3 MET 81 2HE MET 81 5.832 17.953 9.108 666 H ALA 82 H ALA 82 7.701 15.726 2.869 667 HA ALA 82 HA ALA 82 10.347 15.363 4.134 668 HB1 ALA 82 3HB ALA 82 9.649 14.764 1.255 669 HB2 ALA 82 1HB ALA 82 9.980 13.570 2.512 670 HB3 ALA 82 2HB ALA 82 11.256 14.660 1.972 671 H SER 83 H SER 83 11.910 16.897 3.651 672 HA SER 83 HA SER 83 12.736 18.972 3.279 673 HB2 SER 83 2HB SER 83 12.522 19.884 1.005 674 HB3 SER 83 1HB SER 83 12.839 18.155 0.970 675 HG SER 83 HG SER 83 10.161 18.846 0.957 676 H GLN 84 H GLN 84 9.974 18.738 4.509 677 HA GLN 84 HA GLN 84 9.337 21.602 4.384 678 HB2 GLN 84 2HB GLN 84 6.921 21.141 4.279 679 HB3 GLN 84 1HB GLN 84 7.755 20.551 2.849 680 HG2 GLN 84 2HG GLN 84 7.587 18.293 3.563 681 HG3 GLN 84 1HG GLN 84 7.078 18.769 5.181 682 HE21 GLN 84 1HE2 GLN 84 4.954 19.386 5.523 683 HE22 GLN 84 2HE2 GLN 84 3.712 19.109 4.357 684 H GLY 85 H GLY 85 7.435 21.976 6.094 685 HA2 GLY 85 2HA GLY 85 8.150 20.508 8.568 686 HA3 GLY 85 1HA GLY 85 7.760 22.222 8.532 Start of MODEL 8 1 H1 MET 1 1H MET 1 -15.981 2.020 -24.743 2 H2 MET 1 2H MET 1 -14.986 2.436 -23.442 3 H3 MET 1 3H MET 1 -16.592 1.977 -23.166 4 HA MET 1 HA MET 1 -16.161 -0.247 -23.923 5 HB2 MET 1 2HB MET 1 -13.933 -0.966 -24.553 6 HB3 MET 1 1HB MET 1 -14.409 0.389 -25.566 7 HG2 MET 1 2HG MET 1 -12.517 0.455 -23.225 8 HG3 MET 1 1HG MET 1 -12.111 0.641 -24.932 9 HE1 MET 1 3HE MET 1 -11.112 2.660 -22.719 10 HE2 MET 1 1HE MET 1 -11.418 4.214 -23.496 11 HE3 MET 1 2HE MET 1 -10.765 2.873 -24.435 12 H GLY 2 H GLY 2 -15.043 -1.933 -22.583 13 HA2 GLY 2 2HA GLY 2 -15.000 -1.178 -19.818 14 HA3 GLY 2 1HA GLY 2 -14.650 -2.770 -20.470 15 H HIS 3 H HIS 3 -13.252 0.452 -20.004 16 HA HIS 3 HA HIS 3 -10.625 -0.226 -20.745 17 HB2 HIS 3 2HB HIS 3 -9.960 1.914 -19.776 18 HB3 HIS 3 1HB HIS 3 -11.428 2.082 -20.729 19 HD1 HIS 3 HD1 HIS 3 -10.055 3.279 -17.738 20 HD2 HIS 3 HD2 HIS 3 -13.807 1.832 -18.779 21 HE1 HIS 3 HE1 HIS 3 -11.628 4.198 -16.017 22 HE2 HIS 3 HE2 HIS 3 -13.909 3.520 -16.821 23 H HIS 4 H HIS 4 -12.276 -1.073 -17.895 24 HA HIS 4 HA HIS 4 -9.848 -1.426 -16.326 25 HB2 HIS 4 2HB HIS 4 -12.718 -2.242 -15.800 26 HB3 HIS 4 1HB HIS 4 -11.388 -2.561 -14.692 27 HD1 HIS 4 HD1 HIS 4 -14.022 -0.266 -15.127 28 HD2 HIS 4 HD2 HIS 4 -10.016 0.119 -14.093 29 HE1 HIS 4 HE1 HIS 4 -13.834 1.952 -13.971 30 HE2 HIS 4 HE2 HIS 4 -11.381 2.231 -13.505 31 H HIS 5 H HIS 5 -8.499 -2.997 -17.017 32 HA HIS 5 HA HIS 5 -9.638 -5.485 -18.095 33 HB2 HIS 5 2HB HIS 5 -7.253 -5.918 -18.850 34 HB3 HIS 5 1HB HIS 5 -8.072 -4.560 -19.605 35 HD1 HIS 5 HD1 HIS 5 -7.002 -2.291 -19.381 36 HD2 HIS 5 HD2 HIS 5 -5.195 -5.149 -16.966 37 HE1 HIS 5 HE1 HIS 5 -4.920 -1.209 -18.502 38 HE2 HIS 5 HE2 HIS 5 -3.786 -2.987 -17.135 39 H HIS 6 H HIS 6 -9.953 -7.067 -16.663 40 HA HIS 6 HA HIS 6 -8.604 -7.185 -14.150 41 HB2 HIS 6 2HB HIS 6 -9.863 -9.316 -13.823 42 HB3 HIS 6 1HB HIS 6 -10.883 -7.962 -14.286 43 HD1 HIS 6 HD1 HIS 6 -12.277 -8.222 -16.368 44 HD2 HIS 6 HD2 HIS 6 -9.488 -11.269 -15.919 45 HE1 HIS 6 HE1 HIS 6 -12.835 -9.909 -18.136 46 HE2 HIS 6 HE2 HIS 6 -11.013 -11.628 -17.975 47 H HIS 7 H HIS 7 -6.660 -7.981 -13.729 48 HA HIS 7 HA HIS 7 -5.793 -10.490 -14.937 49 HB2 HIS 7 2HB HIS 7 -4.446 -7.874 -15.405 50 HB3 HIS 7 1HB HIS 7 -3.398 -9.241 -15.050 51 HD1 HIS 7 HD1 HIS 7 -6.192 -10.588 -16.848 52 HD2 HIS 7 HD2 HIS 7 -2.757 -8.489 -17.894 53 HE1 HIS 7 HE1 HIS 7 -5.832 -11.048 -19.286 54 HE2 HIS 7 HE2 HIS 7 -3.646 -9.940 -19.835 55 H HIS 8 H HIS 8 -4.705 -11.768 -13.526 56 HA HIS 8 HA HIS 8 -4.523 -10.953 -10.783 57 HB2 HIS 8 2HB HIS 8 -5.150 -13.261 -11.559 58 HB3 HIS 8 1HB HIS 8 -3.471 -13.502 -12.031 59 HD1 HIS 8 HD1 HIS 8 -1.742 -13.860 -10.131 60 HD2 HIS 8 HD2 HIS 8 -5.645 -13.315 -8.799 61 HE1 HIS 8 HE1 HIS 8 -1.727 -14.512 -7.707 62 HE2 HIS 8 HE2 HIS 8 -4.081 -14.137 -6.911 63 H SER 9 H SER 9 -2.125 -11.781 -13.284 64 HA SER 9 HA SER 9 0.098 -11.114 -11.529 65 HB2 SER 9 2HB SER 9 0.377 -12.999 -13.050 66 HB3 SER 9 1HB SER 9 0.044 -11.964 -14.439 67 HG SER 9 HG SER 9 2.330 -12.125 -12.828 68 H HIS 10 H HIS 10 1.826 -9.639 -12.300 69 HA HIS 10 HA HIS 10 2.553 -7.536 -12.765 70 HB2 HIS 10 2HB HIS 10 0.698 -7.890 -15.134 71 HB3 HIS 10 1HB HIS 10 1.911 -6.620 -14.992 72 HD1 HIS 10 HD1 HIS 10 1.569 -10.327 -15.485 73 HD2 HIS 10 HD2 HIS 10 4.534 -7.418 -15.514 74 HE1 HIS 10 HE1 HIS 10 3.605 -11.453 -16.412 75 HE2 HIS 10 HE2 HIS 10 5.429 -9.739 -16.226 76 H SER 11 H SER 11 0.010 -7.861 -11.164 77 HA SER 11 HA SER 11 -1.594 -5.548 -11.741 78 HB2 SER 11 2HB SER 11 -2.589 -7.521 -10.663 79 HB3 SER 11 1HB SER 11 -1.537 -7.301 -9.266 80 HG SER 11 HG SER 11 -2.626 -5.465 -8.727 81 H THR 12 H THR 12 0.055 -3.914 -11.770 82 HA THR 12 HA THR 12 1.392 -3.233 -9.277 83 HB THR 12 HB THR 12 2.332 -1.312 -10.569 84 HG1 THR 12 HG1 THR 12 0.444 -1.267 -12.074 85 HG21 THR 12 3HG2 THR 12 3.498 -3.487 -10.499 86 HG22 THR 12 1HG2 THR 12 3.763 -2.649 -12.027 87 HG23 THR 12 2HG2 THR 12 2.623 -3.991 -11.945 88 H ILE 13 H ILE 13 0.488 -2.025 -7.754 89 HA ILE 13 HA ILE 13 -2.042 -0.698 -8.251 90 HB ILE 13 HB ILE 13 -2.060 -0.294 -5.809 91 HG12 ILE 13 2HG1 ILE 13 0.583 -1.790 -5.804 92 HG13 ILE 13 1HG1 ILE 13 0.411 -0.061 -5.525 93 HG21 ILE 13 1HG2 ILE 13 -2.253 -2.647 -5.138 94 HG22 ILE 13 2HG2 ILE 13 -1.403 -3.136 -6.603 95 HG23 ILE 13 3HG2 ILE 13 -2.986 -2.365 -6.717 96 HD11 ILE 13 3HD1 ILE 13 -0.892 -0.513 -3.515 97 HD12 ILE 13 1HD1 ILE 13 0.692 -1.282 -3.446 98 HD13 ILE 13 2HD1 ILE 13 -0.740 -2.246 -3.803 99 H LYS 14 H LYS 14 -2.501 1.504 -7.908 100 HA LYS 14 HA LYS 14 -0.245 3.296 -8.380 101 HB2 LYS 14 2HB LYS 14 -3.219 3.866 -8.380 102 HB3 LYS 14 1HB LYS 14 -1.963 5.007 -8.835 103 HG2 LYS 14 2HG LYS 14 -1.314 3.429 -10.678 104 HG3 LYS 14 1HG LYS 14 -2.749 2.481 -10.277 105 HD2 LYS 14 2HD LYS 14 -2.706 5.380 -11.154 106 HD3 LYS 14 1HD LYS 14 -3.218 4.003 -12.129 107 HE2 LYS 14 2HE LYS 14 -5.084 3.591 -10.636 108 HE3 LYS 14 1HE LYS 14 -4.536 4.869 -9.552 109 HZ1 LYS 14 3HZ LYS 14 -5.408 5.276 -12.360 110 HZ2 LYS 14 1HZ LYS 14 -4.943 6.487 -11.276 111 HZ3 LYS 14 2HZ LYS 14 -6.347 5.593 -10.994 112 H LEU 15 H LEU 15 0.763 4.138 -6.673 113 HA LEU 15 HA LEU 15 -0.754 4.923 -4.281 114 HB2 LEU 15 2HB LEU 15 2.194 4.577 -4.817 115 HB3 LEU 15 1HB LEU 15 1.613 5.422 -3.397 116 HG LEU 15 HG LEU 15 0.445 3.374 -2.661 117 HD11 LEU 15 1HD1 LEU 15 0.941 1.234 -3.765 118 HD12 LEU 15 2HD1 LEU 15 1.748 2.107 -5.067 119 HD13 LEU 15 3HD1 LEU 15 0.019 2.324 -4.798 120 HD21 LEU 15 3HD2 LEU 15 2.442 2.119 -2.029 121 HD22 LEU 15 1HD2 LEU 15 2.704 3.855 -1.870 122 HD23 LEU 15 2HD2 LEU 15 3.381 2.984 -3.246 123 H THR 16 H THR 16 -1.383 6.977 -4.079 124 HA THR 16 HA THR 16 -0.150 9.055 -5.738 125 HB THR 16 HB THR 16 -2.556 9.293 -3.899 126 HG1 THR 16 HG1 THR 16 -3.214 7.970 -5.518 127 HG21 THR 16 3HG2 THR 16 -1.484 11.452 -4.366 128 HG22 THR 16 1HG2 THR 16 -3.041 11.335 -5.189 129 HG23 THR 16 2HG2 THR 16 -1.545 11.117 -6.096 130 H VAL 17 H VAL 17 1.833 9.360 -4.711 131 HA VAL 17 HA VAL 17 1.954 9.920 -1.862 132 HB VAL 17 HB VAL 17 4.172 10.046 -3.921 133 HG11 VAL 17 1HG1 VAL 17 5.673 9.833 -1.983 134 HG12 VAL 17 2HG1 VAL 17 4.282 9.911 -0.902 135 HG13 VAL 17 3HG1 VAL 17 4.702 11.302 -1.900 136 HG21 VAL 17 3HG2 VAL 17 3.195 7.814 -3.838 137 HG22 VAL 17 1HG2 VAL 17 3.379 7.779 -2.083 138 HG23 VAL 17 2HG2 VAL 17 4.807 7.815 -3.121 139 H LYS 18 H LYS 18 1.578 11.891 -1.063 140 HA LYS 18 HA LYS 18 1.646 14.211 -2.833 141 HB2 LYS 18 2HB LYS 18 0.585 13.865 -0.023 142 HB3 LYS 18 1HB LYS 18 0.515 15.368 -0.930 143 HG2 LYS 18 2HG LYS 18 -0.905 14.292 -2.614 144 HG3 LYS 18 1HG LYS 18 -0.823 12.777 -1.712 145 HD2 LYS 18 2HD LYS 18 -2.913 14.001 -1.256 146 HD3 LYS 18 1HD LYS 18 -1.927 13.824 0.198 147 HE2 LYS 18 2HE LYS 18 -1.070 16.129 -0.156 148 HE3 LYS 18 1HE LYS 18 -2.151 16.286 -1.540 149 HZ1 LYS 18 3HZ LYS 18 -3.064 17.285 0.470 150 HZ2 LYS 18 1HZ LYS 18 -3.010 15.790 1.258 151 HZ3 LYS 18 2HZ LYS 18 -4.031 16.008 -0.071 152 H PHE 19 H PHE 19 3.724 14.985 -3.020 153 HA PHE 19 HA PHE 19 5.318 15.620 -0.687 154 HB2 PHE 19 2HB PHE 19 5.564 16.176 -3.628 155 HB3 PHE 19 1HB PHE 19 6.496 17.151 -2.506 156 HD1 PHE 19 HD1 PHE 19 8.176 16.066 -1.035 157 HD2 PHE 19 HD2 PHE 19 6.214 13.949 -4.168 158 HE1 PHE 19 HE1 PHE 19 9.937 14.353 -0.975 159 HE2 PHE 19 HE2 PHE 19 7.978 12.233 -4.110 160 HZ PHE 19 HZ PHE 19 9.841 12.434 -2.513 161 H GLY 20 H GLY 20 3.766 16.790 0.564 162 HA2 GLY 20 2HA GLY 20 2.717 18.689 1.348 163 HA3 GLY 20 1HA GLY 20 3.689 19.605 0.209 164 H GLY 21 H GLY 21 2.884 19.902 -1.951 165 HA2 GLY 21 2HA GLY 21 -0.035 19.447 -2.241 166 HA3 GLY 21 1HA GLY 21 0.783 20.879 -2.843 167 H LYS 22 H LYS 22 2.808 18.297 -3.337 168 HA LYS 22 HA LYS 22 2.089 18.163 -6.173 169 HB2 LYS 22 2HB LYS 22 4.522 17.083 -4.727 170 HB3 LYS 22 1HB LYS 22 4.291 17.107 -6.467 171 HG2 LYS 22 2HG LYS 22 4.460 19.555 -4.712 172 HG3 LYS 22 1HG LYS 22 5.790 18.888 -5.664 173 HD2 LYS 22 2HD LYS 22 4.487 19.241 -7.718 174 HD3 LYS 22 1HD LYS 22 3.169 19.925 -6.761 175 HE2 LYS 22 2HE LYS 22 4.569 21.664 -7.794 176 HE3 LYS 22 1HE LYS 22 4.596 21.744 -6.036 177 HZ1 LYS 22 3HZ LYS 22 6.738 20.716 -6.009 178 HZ2 LYS 22 1HZ LYS 22 6.798 22.014 -7.089 179 HZ3 LYS 22 2HZ LYS 22 6.694 20.431 -7.674 180 H SER 23 H SER 23 0.660 16.602 -6.712 181 HA SER 23 HA SER 23 0.505 14.114 -5.209 182 HB2 SER 23 2HB SER 23 -1.043 14.991 -7.667 183 HB3 SER 23 1HB SER 23 -1.392 13.571 -6.682 184 HG SER 23 HG SER 23 -2.240 16.054 -6.333 185 H ILE 24 H ILE 24 2.188 12.771 -5.606 186 HA ILE 24 HA ILE 24 3.095 12.331 -8.358 187 HB ILE 24 HB ILE 24 4.261 11.210 -5.796 188 HG12 ILE 24 2HG1 ILE 24 4.347 13.662 -5.749 189 HG13 ILE 24 1HG1 ILE 24 5.959 12.996 -5.977 190 HG21 ILE 24 1HG2 ILE 24 4.893 9.934 -7.760 191 HG22 ILE 24 2HG2 ILE 24 6.280 10.854 -7.175 192 HG23 ILE 24 3HG2 ILE 24 5.390 11.406 -8.595 193 HD11 ILE 24 3HD1 ILE 24 5.607 14.947 -7.365 194 HD12 ILE 24 1HD1 ILE 24 4.212 14.178 -8.121 195 HD13 ILE 24 2HD1 ILE 24 5.825 13.508 -8.362 196 HA PRO 25 HA PRO 25 0.610 8.516 -8.083 197 HB2 PRO 25 2HB PRO 25 -0.027 8.332 -10.683 198 HB3 PRO 25 1HB PRO 25 -0.803 9.511 -9.620 199 HG2 PRO 25 2HG PRO 25 1.339 9.919 -11.657 200 HG3 PRO 25 1HG PRO 25 -0.004 10.984 -11.211 201 HD2 PRO 25 2HD PRO 25 2.652 11.210 -10.323 202 HD3 PRO 25 1HD PRO 25 1.242 12.020 -9.609 203 H LEU 26 H LEU 26 1.956 6.822 -7.677 204 HA LEU 26 HA LEU 26 3.838 5.964 -9.797 205 HB2 LEU 26 2HB LEU 26 4.004 5.531 -6.811 206 HB3 LEU 26 1HB LEU 26 5.142 4.893 -7.985 207 HG LEU 26 HG LEU 26 4.674 7.822 -7.390 208 HD11 LEU 26 1HD1 LEU 26 6.923 7.758 -6.442 209 HD12 LEU 26 2HD1 LEU 26 7.013 6.023 -6.746 210 HD13 LEU 26 3HD1 LEU 26 5.840 6.659 -5.592 211 HD21 LEU 26 3HD2 LEU 26 6.565 8.242 -8.869 212 HD22 LEU 26 1HD2 LEU 26 5.263 7.437 -9.743 213 HD23 LEU 26 2HD2 LEU 26 6.685 6.522 -9.238 214 H SER 27 H SER 27 3.456 4.032 -10.735 215 HA SER 27 HA SER 27 1.602 2.141 -9.483 216 HB2 SER 27 2HB SER 27 2.943 2.127 -12.202 217 HB3 SER 27 1HB SER 27 1.835 0.879 -11.635 218 HG SER 27 HG SER 27 0.516 2.222 -12.677 219 H VAL 28 H VAL 28 2.506 0.861 -7.959 220 HA VAL 28 HA VAL 28 5.113 -0.400 -8.562 221 HB VAL 28 HB VAL 28 5.787 -0.198 -6.224 222 HG11 VAL 28 1HG1 VAL 28 6.464 1.575 -7.748 223 HG12 VAL 28 2HG1 VAL 28 6.166 2.233 -6.140 224 HG13 VAL 28 3HG1 VAL 28 4.972 2.456 -7.420 225 HG21 VAL 28 3HG2 VAL 28 4.501 1.184 -4.640 226 HG22 VAL 28 1HG2 VAL 28 3.591 -0.233 -5.162 227 HG23 VAL 28 2HG2 VAL 28 3.218 1.352 -5.838 228 H SER 29 H SER 29 5.515 -2.178 -6.729 229 HA SER 29 HA SER 29 3.278 -4.046 -6.937 230 HB2 SER 29 2HB SER 29 6.035 -4.527 -5.771 231 HB3 SER 29 1HB SER 29 4.860 -5.749 -6.249 232 HG SER 29 HG SER 29 5.949 -3.865 -8.068 233 HA PRO 30 HA PRO 30 1.902 -3.165 -2.757 234 HB2 PRO 30 2HB PRO 30 0.371 -5.412 -2.388 235 HB3 PRO 30 1HB PRO 30 -0.154 -4.008 -3.324 236 HG2 PRO 30 2HG PRO 30 1.010 -6.598 -4.292 237 HG3 PRO 30 1HG PRO 30 -0.360 -5.674 -4.938 238 HD2 PRO 30 2HD PRO 30 2.081 -5.574 -6.076 239 HD3 PRO 30 1HD PRO 30 1.013 -4.154 -6.027 240 H ASP 31 H ASP 31 3.514 -6.135 -3.666 241 HA ASP 31 HA ASP 31 3.916 -7.113 -0.997 242 HB2 ASP 31 2HB ASP 31 5.413 -7.886 -3.510 243 HB3 ASP 31 1HB ASP 31 5.242 -8.837 -2.035 244 H CYS 32 H CYS 32 5.336 -4.585 -2.688 245 HA CYS 32 HA CYS 32 8.044 -4.861 -1.722 246 HB2 CYS 32 2HB CYS 32 6.630 -2.491 -2.977 247 HB3 CYS 32 1HB CYS 32 8.358 -2.582 -2.653 248 HG CYS 32 HG CYS 32 8.644 -3.168 -5.159 249 H THR 33 H THR 33 9.074 -3.482 -0.200 250 HA THR 33 HA THR 33 7.402 -2.742 2.056 251 HB THR 33 HB THR 33 9.481 -2.278 3.241 252 HG1 THR 33 HG1 THR 33 10.959 -2.959 0.912 253 HG21 THR 33 3HG2 THR 33 10.574 -4.488 3.076 254 HG22 THR 33 1HG2 THR 33 9.677 -4.811 1.591 255 HG23 THR 33 2HG2 THR 33 8.816 -4.623 3.119 256 H VAL 34 H VAL 34 7.369 -0.630 3.038 257 HA VAL 34 HA VAL 34 7.278 1.543 1.212 258 HB VAL 34 HB VAL 34 6.856 2.976 3.127 259 HG11 VAL 34 1HG1 VAL 34 5.004 1.630 2.292 260 HG12 VAL 34 2HG1 VAL 34 4.874 1.845 4.037 261 HG13 VAL 34 3HG1 VAL 34 5.446 0.313 3.379 262 HG21 VAL 34 3HG2 VAL 34 6.901 2.080 5.425 263 HG22 VAL 34 1HG2 VAL 34 8.502 2.108 4.684 264 HG23 VAL 34 2HG2 VAL 34 7.616 0.588 4.814 265 H LYS 35 H LYS 35 9.865 0.162 3.013 266 HA LYS 35 HA LYS 35 11.644 2.386 3.012 267 HB2 LYS 35 2HB LYS 35 11.922 0.293 4.379 268 HB3 LYS 35 1HB LYS 35 12.362 -0.556 2.906 269 HG2 LYS 35 2HG LYS 35 14.301 0.911 2.628 270 HG3 LYS 35 1HG LYS 35 13.850 1.791 4.091 271 HD2 LYS 35 2HD LYS 35 14.117 -0.289 5.397 272 HD3 LYS 35 1HD LYS 35 14.612 -1.131 3.927 273 HE2 LYS 35 2HE LYS 35 16.564 -0.510 5.221 274 HE3 LYS 35 1HE LYS 35 16.530 0.405 3.716 275 HZ1 LYS 35 3HZ LYS 35 15.676 2.305 4.919 276 HZ2 LYS 35 1HZ LYS 35 17.123 1.785 5.616 277 HZ3 LYS 35 2HZ LYS 35 15.650 1.431 6.364 278 H ASP 36 H ASP 36 10.880 -0.149 0.682 279 HA ASP 36 HA ASP 36 12.866 0.455 -1.236 280 HB2 ASP 36 2HB ASP 36 11.276 -1.584 -1.088 281 HB3 ASP 36 1HB ASP 36 10.100 -0.566 -1.910 282 H LEU 37 H LEU 37 9.538 1.640 -0.783 283 HA LEU 37 HA LEU 37 9.273 3.379 -2.920 284 HB2 LEU 37 2HB LEU 37 8.327 3.637 -0.068 285 HB3 LEU 37 1HB LEU 37 7.876 4.786 -1.314 286 HG LEU 37 HG LEU 37 7.249 1.826 -1.393 287 HD11 LEU 37 1HD1 LEU 37 5.435 4.169 -0.797 288 HD12 LEU 37 2HD1 LEU 37 6.025 3.003 0.390 289 HD13 LEU 37 3HD1 LEU 37 4.956 2.475 -0.908 290 HD21 LEU 37 3HD2 LEU 37 6.342 4.104 -3.163 291 HD22 LEU 37 1HD2 LEU 37 5.806 2.427 -3.277 292 HD23 LEU 37 2HD2 LEU 37 7.489 2.842 -3.612 293 H LYS 38 H LYS 38 10.784 4.059 0.236 294 HA LYS 38 HA LYS 38 11.536 6.697 -0.111 295 HB2 LYS 38 2HB LYS 38 13.069 4.471 1.251 296 HB3 LYS 38 1HB LYS 38 13.454 6.178 1.414 297 HG2 LYS 38 2HG LYS 38 11.334 6.596 2.509 298 HG3 LYS 38 1HG LYS 38 10.835 4.922 2.243 299 HD2 LYS 38 2HD LYS 38 12.667 4.135 3.663 300 HD3 LYS 38 1HD LYS 38 13.220 5.795 3.887 301 HE2 LYS 38 2HE LYS 38 10.468 4.883 4.706 302 HE3 LYS 38 1HE LYS 38 11.862 4.768 5.777 303 HZ1 LYS 38 3HZ LYS 38 10.665 6.788 6.208 304 HZ2 LYS 38 1HZ LYS 38 10.765 7.257 4.588 305 HZ3 LYS 38 2HZ LYS 38 12.163 7.177 5.533 306 H SER 39 H SER 39 13.176 3.780 -1.292 307 HA SER 39 HA SER 39 15.375 5.296 -2.432 308 HB2 SER 39 2HB SER 39 15.800 3.083 -1.457 309 HB3 SER 39 1HB SER 39 14.729 2.343 -2.644 310 HG SER 39 HG SER 39 16.722 2.115 -3.498 311 H GLN 40 H GLN 40 12.273 4.309 -3.502 312 HA GLN 40 HA GLN 40 12.918 4.372 -6.328 313 HB2 GLN 40 2HB GLN 40 10.299 4.263 -4.827 314 HB3 GLN 40 1HB GLN 40 10.379 4.392 -6.578 315 HG2 GLN 40 2HG GLN 40 11.617 2.277 -6.675 316 HG3 GLN 40 1HG GLN 40 11.519 2.145 -4.920 317 HE21 GLN 40 1HE2 GLN 40 8.797 3.183 -4.815 318 HE22 GLN 40 2HE2 GLN 40 7.783 1.913 -5.388 319 H LEU 41 H LEU 41 11.378 6.565 -3.990 320 HA LEU 41 HA LEU 41 11.067 8.697 -5.901 321 HB2 LEU 41 2HB LEU 41 10.837 8.562 -2.902 322 HB3 LEU 41 1HB LEU 41 10.652 10.069 -3.780 323 HG LEU 41 HG LEU 41 8.929 7.618 -4.210 324 HD11 LEU 41 1HD1 LEU 41 8.548 8.536 -1.990 325 HD12 LEU 41 2HD1 LEU 41 7.176 8.884 -3.042 326 HD13 LEU 41 3HD1 LEU 41 8.345 10.151 -2.671 327 HD21 LEU 41 3HD2 LEU 41 7.499 9.145 -5.481 328 HD22 LEU 41 1HD2 LEU 41 9.110 9.047 -6.187 329 HD23 LEU 41 2HD2 LEU 41 8.653 10.454 -5.225 330 H GLN 42 H GLN 42 13.558 7.756 -3.621 331 HA GLN 42 HA GLN 42 14.916 10.092 -3.166 332 HB2 GLN 42 2HB GLN 42 15.497 8.016 -2.068 333 HB3 GLN 42 1HB GLN 42 16.083 7.336 -3.579 334 HG2 GLN 42 2HG GLN 42 17.890 8.968 -3.633 335 HG3 GLN 42 1HG GLN 42 17.286 9.701 -2.146 336 HE21 GLN 42 1HE2 GLN 42 19.221 9.282 -1.064 337 HE22 GLN 42 2HE2 GLN 42 19.664 7.695 -0.551 338 HA PRO 43 HA PRO 43 17.660 9.653 -7.149 339 HB2 PRO 43 2HB PRO 43 16.740 8.116 -9.196 340 HB3 PRO 43 1HB PRO 43 17.770 7.477 -7.909 341 HG2 PRO 43 2HG PRO 43 14.781 7.337 -8.184 342 HG3 PRO 43 1HG PRO 43 15.924 6.048 -7.752 343 HD2 PRO 43 2HD PRO 43 14.495 7.361 -5.883 344 HD3 PRO 43 1HD PRO 43 16.154 6.810 -5.574 345 H ILE 44 H ILE 44 14.216 9.866 -7.161 346 HA ILE 44 HA ILE 44 14.083 11.448 -9.609 347 HB ILE 44 HB ILE 44 11.880 10.710 -7.663 348 HG12 ILE 44 2HG1 ILE 44 12.633 9.488 -10.334 349 HG13 ILE 44 1HG1 ILE 44 12.868 8.738 -8.759 350 HG21 ILE 44 1HG2 ILE 44 11.342 12.720 -8.933 351 HG22 ILE 44 2HG2 ILE 44 10.348 11.365 -9.468 352 HG23 ILE 44 3HG2 ILE 44 11.721 11.889 -10.441 353 HD11 ILE 44 3HD1 ILE 44 10.437 8.696 -8.433 354 HD12 ILE 44 1HD1 ILE 44 10.934 7.805 -9.872 355 HD13 ILE 44 2HD1 ILE 44 10.221 9.411 -10.031 356 H THR 45 H THR 45 13.289 11.915 -6.163 357 HA THR 45 HA THR 45 13.008 14.808 -6.608 358 HB THR 45 HB THR 45 11.880 14.860 -4.429 359 HG1 THR 45 HG1 THR 45 11.428 12.510 -3.663 360 HG21 THR 45 3HG2 THR 45 10.843 12.629 -6.191 361 HG22 THR 45 1HG2 THR 45 10.549 14.351 -6.439 362 HG23 THR 45 2HG2 THR 45 9.901 13.542 -5.012 363 H ASN 46 H ASN 46 15.357 12.669 -5.518 364 HA ASN 46 HA ASN 46 17.401 12.953 -4.561 365 HB2 ASN 46 2HB ASN 46 16.683 15.893 -4.516 366 HB3 ASN 46 1HB ASN 46 18.273 15.237 -4.137 367 HD21 ASN 46 1HD2 ASN 46 17.493 17.094 -6.213 368 HD22 ASN 46 2HD2 ASN 46 17.983 16.377 -7.705 369 H VAL 47 H VAL 47 14.624 13.153 -2.944 370 HA VAL 47 HA VAL 47 15.497 14.307 -0.449 371 HB VAL 47 HB VAL 47 13.013 12.650 -0.963 372 HG11 VAL 47 1HG1 VAL 47 13.579 12.827 1.407 373 HG12 VAL 47 2HG1 VAL 47 12.145 13.788 1.045 374 HG13 VAL 47 3HG1 VAL 47 13.705 14.580 1.262 375 HG21 VAL 47 3HG2 VAL 47 13.070 14.578 -2.449 376 HG22 VAL 47 1HG2 VAL 47 13.410 15.646 -1.088 377 HG23 VAL 47 2HG2 VAL 47 11.856 14.816 -1.193 378 H LEU 48 H LEU 48 16.440 13.328 1.223 379 HA LEU 48 HA LEU 48 17.430 10.699 1.122 380 HB2 LEU 48 2HB LEU 48 17.071 12.537 3.499 381 HB3 LEU 48 1HB LEU 48 18.003 11.051 3.525 382 HG LEU 48 HG LEU 48 18.632 13.457 1.805 383 HD11 LEU 48 1HD1 LEU 48 18.994 13.951 4.158 384 HD12 LEU 48 2HD1 LEU 48 20.535 13.785 3.321 385 HD13 LEU 48 3HD1 LEU 48 19.942 12.474 4.342 386 HD21 LEU 48 3HD2 LEU 48 20.201 10.918 2.288 387 HD22 LEU 48 1HD2 LEU 48 20.739 12.307 1.342 388 HD23 LEU 48 2HD2 LEU 48 19.362 11.349 0.797 389 HA PRO 49 HA PRO 49 13.967 8.150 2.399 390 HB2 PRO 49 2HB PRO 49 15.506 6.258 3.781 391 HB3 PRO 49 1HB PRO 49 15.097 6.205 2.065 392 HG2 PRO 49 2HG PRO 49 17.595 7.157 3.392 393 HG3 PRO 49 1HG PRO 49 17.397 6.280 1.863 394 HD2 PRO 49 2HD PRO 49 17.925 8.907 1.899 395 HD3 PRO 49 1HD PRO 49 16.826 8.207 0.690 396 H ARG 50 H ARG 50 16.451 9.209 4.660 397 HA ARG 50 HA ARG 50 15.158 8.823 7.103 398 HB2 ARG 50 2HB ARG 50 17.490 9.548 6.904 399 HB3 ARG 50 1HB ARG 50 16.974 11.081 6.221 400 HG2 ARG 50 2HG ARG 50 15.784 11.541 8.386 401 HG3 ARG 50 1HG ARG 50 16.569 10.100 9.039 402 HD2 ARG 50 2HD ARG 50 17.911 12.585 7.970 403 HD3 ARG 50 1HD ARG 50 17.859 12.043 9.647 404 HE ARG 50 HE ARG 50 19.160 10.045 8.780 405 HH11 ARG 50 1HH1 ARG 50 19.380 13.163 7.317 406 HH12 ARG 50 2HH1 ARG 50 20.988 12.891 6.736 407 HH21 ARG 50 1HH2 ARG 50 21.215 9.719 8.011 408 HH22 ARG 50 2HH2 ARG 50 22.010 10.971 7.126 409 H GLY 51 H GLY 51 15.105 11.727 5.012 410 HA2 GLY 51 2HA GLY 51 13.215 13.146 6.606 411 HA3 GLY 51 1HA GLY 51 13.709 13.557 4.972 412 H GLN 52 H GLN 52 12.903 11.035 3.797 413 HA GLN 52 HA GLN 52 10.235 11.615 3.130 414 HB2 GLN 52 2HB GLN 52 11.935 9.166 2.707 415 HB3 GLN 52 1HB GLN 52 10.271 9.247 2.147 416 HG2 GLN 52 2HG GLN 52 10.812 11.164 0.749 417 HG3 GLN 52 1HG GLN 52 12.474 11.140 1.340 418 HE21 GLN 52 1HE2 GLN 52 13.889 9.622 0.544 419 HE22 GLN 52 2HE2 GLN 52 13.513 8.599 -0.794 420 H LYS 53 H LYS 53 9.090 11.791 5.104 421 HA LYS 53 HA LYS 53 8.593 9.302 6.574 422 HB2 LYS 53 2HB LYS 53 8.118 12.207 7.174 423 HB3 LYS 53 1HB LYS 53 7.225 10.973 8.054 424 HG2 LYS 53 2HG LYS 53 9.195 10.057 8.978 425 HG3 LYS 53 1HG LYS 53 10.231 10.957 7.872 426 HD2 LYS 53 2HD LYS 53 8.438 12.439 9.764 427 HD3 LYS 53 1HD LYS 53 9.938 11.732 10.364 428 HE2 LYS 53 2HE LYS 53 10.234 14.083 9.718 429 HE3 LYS 53 1HE LYS 53 11.223 13.007 8.733 430 HZ1 LYS 53 3HZ LYS 53 9.701 13.228 6.930 431 HZ2 LYS 53 1HZ LYS 53 10.087 14.781 7.470 432 HZ3 LYS 53 2HZ LYS 53 8.600 14.094 7.878 433 H LEU 54 H LEU 54 7.258 8.124 5.304 434 HA LEU 54 HA LEU 54 4.966 9.147 3.952 435 HB2 LEU 54 2HB LEU 54 5.747 6.321 4.695 436 HB3 LEU 54 1HB LEU 54 4.402 6.730 3.647 437 HG LEU 54 HG LEU 54 7.284 7.425 3.037 438 HD11 LEU 54 1HD1 LEU 54 7.007 5.003 3.072 439 HD12 LEU 54 2HD1 LEU 54 7.208 5.582 1.420 440 HD13 LEU 54 3HD1 LEU 54 5.607 5.130 2.004 441 HD21 LEU 54 3HD2 LEU 54 5.663 8.892 1.954 442 HD22 LEU 54 1HD2 LEU 54 4.788 7.491 1.330 443 HD23 LEU 54 2HD2 LEU 54 6.428 7.830 0.771 444 H ILE 55 H ILE 55 3.214 9.892 4.996 445 HA ILE 55 HA ILE 55 2.291 8.470 7.417 446 HB ILE 55 HB ILE 55 1.955 11.406 6.750 447 HG12 ILE 55 2HG1 ILE 55 3.658 10.036 8.860 448 HG13 ILE 55 1HG1 ILE 55 4.268 10.781 7.388 449 HG21 ILE 55 1HG2 ILE 55 1.019 11.599 9.021 450 HG22 ILE 55 2HG2 ILE 55 1.117 9.849 9.201 451 HG23 ILE 55 3HG2 ILE 55 0.042 10.550 7.993 452 HD11 ILE 55 3HD1 ILE 55 4.632 12.217 9.291 453 HD12 ILE 55 1HD1 ILE 55 2.908 12.193 9.672 454 HD13 ILE 55 2HD1 ILE 55 3.473 12.961 8.186 455 H PHE 56 H PHE 56 0.657 7.197 6.824 456 HA PHE 56 HA PHE 56 -1.409 8.217 4.972 457 HB2 PHE 56 2HB PHE 56 -0.249 6.209 4.171 458 HB3 PHE 56 1HB PHE 56 -0.635 5.369 5.667 459 HD1 PHE 56 HD1 PHE 56 -2.417 7.204 2.928 460 HD2 PHE 56 HD2 PHE 56 -2.399 3.885 5.602 461 HE1 PHE 56 HE1 PHE 56 -4.488 6.366 1.899 462 HE2 PHE 56 HE2 PHE 56 -4.473 3.047 4.575 463 HZ PHE 56 HZ PHE 56 -5.518 4.286 2.723 464 H LYS 57 H LYS 57 -3.356 8.692 5.836 465 HA LYS 57 HA LYS 57 -5.117 8.837 7.287 466 HB2 LYS 57 2HB LYS 57 -4.192 6.046 8.002 467 HB3 LYS 57 1HB LYS 57 -5.673 6.763 8.619 468 HG2 LYS 57 2HG LYS 57 -5.089 6.379 5.686 469 HG3 LYS 57 1HG LYS 57 -5.980 5.223 6.678 470 HD2 LYS 57 2HD LYS 57 -7.608 7.040 7.216 471 HD3 LYS 57 1HD LYS 57 -6.759 8.080 6.072 472 HE2 LYS 57 2HE LYS 57 -7.326 6.639 4.242 473 HE3 LYS 57 1HE LYS 57 -7.960 5.410 5.337 474 HZ1 LYS 57 3HZ LYS 57 -9.725 6.901 5.969 475 HZ2 LYS 57 1HZ LYS 57 -9.720 6.709 4.290 476 HZ3 LYS 57 2HZ LYS 57 -9.107 8.124 4.978 477 H GLY 58 H GLY 58 -2.280 9.543 8.184 478 HA2 GLY 58 2HA GLY 58 -1.638 10.723 10.133 479 HA3 GLY 58 1HA GLY 58 -2.884 9.876 11.036 480 H LYS 59 H LYS 59 -1.581 7.443 9.444 481 HA LYS 59 HA LYS 59 0.186 6.671 11.628 482 HB2 LYS 59 2HB LYS 59 -1.430 5.031 11.003 483 HB3 LYS 59 1HB LYS 59 -1.039 5.197 9.296 484 HG2 LYS 59 2HG LYS 59 1.202 4.238 9.765 485 HG3 LYS 59 1HG LYS 59 0.691 3.961 11.435 486 HD2 LYS 59 2HD LYS 59 -1.055 2.463 10.706 487 HD3 LYS 59 1HD LYS 59 -0.732 2.842 9.013 488 HE2 LYS 59 2HE LYS 59 1.497 1.841 9.217 489 HE3 LYS 59 1HE LYS 59 1.170 1.461 10.911 490 HZ1 LYS 59 3HZ LYS 59 -0.642 0.031 10.203 491 HZ2 LYS 59 1HZ LYS 59 0.808 -0.456 9.483 492 HZ3 LYS 59 2HZ LYS 59 -0.342 0.400 8.580 493 H VAL 60 H VAL 60 2.371 6.448 11.470 494 HA VAL 60 HA VAL 60 3.666 7.183 8.956 495 HB VAL 60 HB VAL 60 4.532 8.246 10.964 496 HG11 VAL 60 1HG1 VAL 60 3.966 6.531 12.611 497 HG12 VAL 60 2HG1 VAL 60 5.667 6.989 12.731 498 HG13 VAL 60 3HG1 VAL 60 5.214 5.473 11.950 499 HG21 VAL 60 3HG2 VAL 60 6.102 7.839 9.151 500 HG22 VAL 60 1HG2 VAL 60 6.487 6.247 9.807 501 HG23 VAL 60 2HG2 VAL 60 6.923 7.701 10.706 502 H LEU 61 H LEU 61 4.430 5.722 7.560 503 HA LEU 61 HA LEU 61 4.076 2.924 8.081 504 HB2 LEU 61 2HB LEU 61 5.137 4.444 5.707 505 HB3 LEU 61 1HB LEU 61 5.078 2.694 5.745 506 HG LEU 61 HG LEU 61 3.180 3.507 4.511 507 HD11 LEU 61 1HD1 LEU 61 1.336 2.515 5.760 508 HD12 LEU 61 2HD1 LEU 61 2.293 2.565 7.239 509 HD13 LEU 61 3HD1 LEU 61 2.797 1.541 5.895 510 HD21 LEU 61 3HD2 LEU 61 1.487 4.976 5.481 511 HD22 LEU 61 1HD2 LEU 61 3.059 5.771 5.425 512 HD23 LEU 61 2HD2 LEU 61 2.450 5.132 6.951 513 H VAL 62 H VAL 62 5.475 1.803 9.276 514 HA VAL 62 HA VAL 62 8.221 2.390 9.633 515 HB VAL 62 HB VAL 62 6.797 -0.254 10.055 516 HG11 VAL 62 1HG1 VAL 62 9.435 0.749 11.142 517 HG12 VAL 62 2HG1 VAL 62 9.215 -0.548 9.968 518 HG13 VAL 62 3HG1 VAL 62 8.636 -0.752 11.620 519 HG21 VAL 62 3HG2 VAL 62 6.639 0.448 12.414 520 HG22 VAL 62 1HG2 VAL 62 5.750 1.531 11.342 521 HG23 VAL 62 2HG2 VAL 62 7.319 2.016 11.984 522 H GLU 63 H GLU 63 10.045 1.650 8.606 523 HA GLU 63 HA GLU 63 10.034 1.309 5.901 524 HB2 GLU 63 2HB GLU 63 12.116 0.292 7.835 525 HB3 GLU 63 1HB GLU 63 12.363 0.486 6.109 526 HG2 GLU 63 2HG GLU 63 11.759 2.938 6.463 527 HG3 GLU 63 1HG GLU 63 11.964 2.615 8.185 528 H THR 64 H THR 64 10.145 -1.351 8.270 529 HA THR 64 HA THR 64 10.571 -3.387 6.301 530 HB THR 64 HB THR 64 10.158 -4.995 8.138 531 HG1 THR 64 HG1 THR 64 9.596 -4.237 10.182 532 HG21 THR 64 3HG2 THR 64 12.017 -4.283 9.596 533 HG22 THR 64 1HG2 THR 64 11.931 -2.662 8.904 534 HG23 THR 64 2HG2 THR 64 12.390 -4.031 7.888 535 H SER 65 H SER 65 7.779 -1.688 7.159 536 HA SER 65 HA SER 65 5.892 -3.840 6.749 537 HB2 SER 65 2HB SER 65 5.322 -2.000 8.262 538 HB3 SER 65 1HB SER 65 5.461 -0.845 6.938 539 HG SER 65 HG SER 65 3.282 -1.534 7.425 540 H THR 66 H THR 66 4.886 -4.398 4.887 541 HA THR 66 HA THR 66 5.629 -3.004 2.422 542 HB THR 66 HB THR 66 4.740 -4.864 1.198 543 HG1 THR 66 HG1 THR 66 3.703 -6.624 2.428 544 HG21 THR 66 3HG2 THR 66 5.989 -6.768 2.127 545 HG22 THR 66 1HG2 THR 66 6.151 -5.912 3.660 546 HG23 THR 66 2HG2 THR 66 6.929 -5.280 2.210 547 H LEU 67 H LEU 67 3.980 -2.445 0.824 548 HA LEU 67 HA LEU 67 1.911 -0.869 1.860 549 HB2 LEU 67 2HB LEU 67 2.225 -2.052 -0.907 550 HB3 LEU 67 1HB LEU 67 0.984 -0.889 -0.487 551 HG LEU 67 HG LEU 67 2.684 0.348 -1.555 552 HD11 LEU 67 1HD1 LEU 67 3.499 1.869 0.165 553 HD12 LEU 67 2HD1 LEU 67 3.081 0.697 1.414 554 HD13 LEU 67 3HD1 LEU 67 1.812 1.435 0.436 555 HD21 LEU 67 3HD2 LEU 67 4.464 -1.350 -1.406 556 HD22 LEU 67 1HD2 LEU 67 4.726 -0.905 0.280 557 HD23 LEU 67 2HD2 LEU 67 5.034 0.269 -1.000 558 H LYS 68 H LYS 68 1.862 -4.175 0.639 559 HA LYS 68 HA LYS 68 -0.910 -4.634 0.809 560 HB2 LYS 68 2HB LYS 68 0.667 -6.086 -0.423 561 HB3 LYS 68 1HB LYS 68 1.363 -6.613 1.105 562 HG2 LYS 68 2HG LYS 68 -0.840 -7.552 1.739 563 HG3 LYS 68 1HG LYS 68 -1.453 -7.102 0.145 564 HD2 LYS 68 2HD LYS 68 0.282 -8.540 -0.885 565 HD3 LYS 68 1HD LYS 68 0.804 -9.027 0.731 566 HE2 LYS 68 2HE LYS 68 -1.923 -9.494 -0.484 567 HE3 LYS 68 1HE LYS 68 -0.669 -10.706 -0.233 568 HZ1 LYS 68 3HZ LYS 68 -2.352 -10.795 1.493 569 HZ2 LYS 68 1HZ LYS 68 -2.047 -9.186 1.918 570 HZ3 LYS 68 2HZ LYS 68 -0.856 -10.362 2.146 571 H GLN 69 H GLN 69 1.684 -5.060 3.207 572 HA GLN 69 HA GLN 69 0.098 -6.369 5.164 573 HB2 GLN 69 2HB GLN 69 2.691 -4.839 5.362 574 HB3 GLN 69 1HB GLN 69 1.950 -5.628 6.747 575 HG2 GLN 69 2HG GLN 69 2.129 -7.786 5.644 576 HG3 GLN 69 1HG GLN 69 2.802 -7.016 4.209 577 HE21 GLN 69 1HE2 GLN 69 4.708 -8.187 4.323 578 HE22 GLN 69 2HE2 GLN 69 5.903 -7.901 5.534 579 H SER 70 H SER 70 0.706 -2.950 4.507 580 HA SER 70 HA SER 70 -0.758 -2.183 6.938 581 HB2 SER 70 2HB SER 70 1.384 -1.026 6.370 582 HB3 SER 70 1HB SER 70 0.604 -0.364 4.933 583 HG SER 70 HG SER 70 -0.945 0.615 6.376 584 H ASP 71 H ASP 71 -1.845 -3.221 4.175 585 HA ASP 71 HA ASP 71 -3.819 -3.074 3.072 586 HB2 ASP 71 2HB ASP 71 -4.522 -1.287 5.405 587 HB3 ASP 71 1HB ASP 71 -5.686 -1.782 4.177 588 H VAL 72 H VAL 72 -1.648 -1.125 2.483 589 HA VAL 72 HA VAL 72 -3.064 1.176 1.406 590 HB VAL 72 HB VAL 72 -0.183 0.333 0.969 591 HG11 VAL 72 1HG1 VAL 72 0.180 2.633 0.228 592 HG12 VAL 72 2HG1 VAL 72 -1.528 2.993 0.465 593 HG13 VAL 72 3HG1 VAL 72 -1.035 1.843 -0.776 594 HG21 VAL 72 3HG2 VAL 72 -1.339 2.322 2.929 595 HG22 VAL 72 1HG2 VAL 72 0.378 2.032 2.654 596 HG23 VAL 72 2HG2 VAL 72 -0.635 0.757 3.335 597 H GLY 73 H GLY 73 -4.444 0.606 -0.219 598 HA2 GLY 73 2HA GLY 73 -3.538 -1.327 -2.247 599 HA3 GLY 73 1HA GLY 73 -5.205 -0.891 -1.923 600 H SER 74 H SER 74 -4.951 -0.888 -4.394 601 HA SER 74 HA SER 74 -3.605 1.196 -5.737 602 HB2 SER 74 2HB SER 74 -5.094 0.614 -7.656 603 HB3 SER 74 1HB SER 74 -4.324 -0.796 -6.927 604 HG SER 74 HG SER 74 -6.963 0.103 -6.356 605 H GLY 75 H GLY 75 -3.980 3.310 -5.494 606 HA2 GLY 75 2HA GLY 75 -5.432 5.164 -6.099 607 HA3 GLY 75 1HA GLY 75 -6.789 4.252 -5.454 608 H ALA 76 H ALA 76 -4.218 3.819 -3.401 609 HA ALA 76 HA ALA 76 -5.340 5.421 -1.328 610 HB1 ALA 76 3HB ALA 76 -4.200 3.294 -0.883 611 HB2 ALA 76 1HB ALA 76 -3.481 4.619 0.032 612 HB3 ALA 76 2HB ALA 76 -2.673 4.003 -1.410 613 H LYS 77 H LYS 77 -4.497 7.239 -0.292 614 HA LYS 77 HA LYS 77 -2.552 8.814 -1.867 615 HB2 LYS 77 2HB LYS 77 -4.899 9.801 -0.221 616 HB3 LYS 77 1HB LYS 77 -3.742 10.830 -1.061 617 HG2 LYS 77 2HG LYS 77 -4.470 10.021 -3.202 618 HG3 LYS 77 1HG LYS 77 -5.495 8.800 -2.446 619 HD2 LYS 77 2HD LYS 77 -6.833 10.677 -3.229 620 HD3 LYS 77 1HD LYS 77 -6.881 10.577 -1.469 621 HE2 LYS 77 2HE LYS 77 -5.195 12.354 -1.329 622 HE3 LYS 77 1HE LYS 77 -5.157 12.459 -3.091 623 HZ1 LYS 77 3HZ LYS 77 -6.568 14.163 -2.125 624 HZ2 LYS 77 1HZ LYS 77 -7.521 12.986 -1.373 625 HZ3 LYS 77 2HZ LYS 77 -7.486 13.096 -3.060 626 H LEU 78 H LEU 78 -0.670 9.080 -0.861 627 HA LEU 78 HA LEU 78 -0.513 8.699 2.051 628 HB2 LEU 78 2HB LEU 78 1.741 8.753 0.034 629 HB3 LEU 78 1HB LEU 78 1.837 8.226 1.704 630 HG LEU 78 HG LEU 78 0.288 6.830 -0.491 631 HD11 LEU 78 1HD1 LEU 78 2.869 6.055 0.871 632 HD12 LEU 78 2HD1 LEU 78 2.707 6.643 -0.783 633 HD13 LEU 78 3HD1 LEU 78 1.995 5.098 -0.326 634 HD21 LEU 78 3HD2 LEU 78 0.764 6.022 2.383 635 HD22 LEU 78 1HD2 LEU 78 0.001 5.021 1.145 636 HD23 LEU 78 2HD2 LEU 78 -0.774 6.513 1.673 637 H MET 79 H MET 79 -0.148 10.415 3.369 638 HA MET 79 HA MET 79 0.651 12.981 2.263 639 HB2 MET 79 2HB MET 79 -1.050 12.943 4.014 640 HB3 MET 79 1HB MET 79 0.057 12.127 5.111 641 HG2 MET 79 2HG MET 79 1.507 14.094 5.120 642 HG3 MET 79 1HG MET 79 0.407 14.914 4.013 643 HE1 MET 79 3HE MET 79 -0.022 16.755 7.500 644 HE2 MET 79 1HE MET 79 0.448 16.954 5.812 645 HE3 MET 79 2HE MET 79 1.457 16.006 6.901 646 H LEU 80 H LEU 80 2.783 13.041 1.682 647 HA LEU 80 HA LEU 80 4.767 11.720 3.370 648 HB2 LEU 80 2HB LEU 80 4.870 11.321 0.976 649 HB3 LEU 80 1HB LEU 80 5.000 13.041 0.664 650 HG LEU 80 HG LEU 80 7.203 13.110 1.693 651 HD11 LEU 80 1HD1 LEU 80 8.325 11.058 2.429 652 HD12 LEU 80 2HD1 LEU 80 6.826 10.161 2.200 653 HD13 LEU 80 3HD1 LEU 80 6.915 11.433 3.417 654 HD21 LEU 80 3HD2 LEU 80 7.053 12.561 -0.682 655 HD22 LEU 80 1HD2 LEU 80 6.966 10.845 -0.289 656 HD23 LEU 80 2HD2 LEU 80 8.429 11.760 0.074 657 H MET 81 H MET 81 5.416 12.866 5.065 658 HA MET 81 HA MET 81 5.689 15.733 5.041 659 HB2 MET 81 2HB MET 81 5.096 14.543 7.099 660 HB3 MET 81 1HB MET 81 6.621 13.670 7.052 661 HG2 MET 81 2HG MET 81 7.752 15.945 7.191 662 HG3 MET 81 1HG MET 81 6.161 16.587 7.599 663 HE1 MET 81 3HE MET 81 8.054 16.551 11.050 664 HE2 MET 81 1HE MET 81 7.137 17.543 9.915 665 HE3 MET 81 2HE MET 81 8.722 16.916 9.460 666 H ALA 82 H ALA 82 7.275 16.578 3.783 667 HA ALA 82 HA ALA 82 10.019 15.538 4.113 668 HB1 ALA 82 3HB ALA 82 8.814 16.342 1.461 669 HB2 ALA 82 1HB ALA 82 9.071 14.681 2.002 670 HB3 ALA 82 2HB ALA 82 10.451 15.747 1.741 671 H SER 83 H SER 83 11.678 17.031 3.972 672 HA SER 83 HA SER 83 10.886 19.848 4.262 673 HB2 SER 83 2HB SER 83 12.187 18.978 6.118 674 HB3 SER 83 1HB SER 83 13.439 18.400 5.021 675 HG SER 83 HG SER 83 14.191 20.306 5.758 676 H GLN 84 H GLN 84 11.511 21.404 2.849 677 HA GLN 84 HA GLN 84 12.633 20.626 0.322 678 HB2 GLN 84 2HB GLN 84 10.889 22.370 0.514 679 HB3 GLN 84 1HB GLN 84 12.016 23.394 1.393 680 HG2 GLN 84 2HG GLN 84 11.864 24.130 -0.895 681 HG3 GLN 84 1HG GLN 84 13.471 23.473 -0.591 682 HE21 GLN 84 1HE2 GLN 84 13.833 23.075 -2.776 683 HE22 GLN 84 2HE2 GLN 84 13.046 21.788 -3.618 684 H GLY 85 H GLY 85 13.745 22.812 2.912 685 HA2 GLY 85 2HA GLY 85 16.023 22.861 3.660 686 HA3 GLY 85 1HA GLY 85 16.529 22.314 2.068 Start of MODEL 9 1 H1 MET 1 1H MET 1 -27.022 -5.613 -14.514 2 H2 MET 1 2H MET 1 -26.423 -4.475 -13.418 3 H3 MET 1 3H MET 1 -27.976 -5.102 -13.212 4 HA MET 1 HA MET 1 -26.457 -6.097 -11.642 5 HB2 MET 1 2HB MET 1 -27.255 -8.053 -13.819 6 HB3 MET 1 1HB MET 1 -26.922 -8.452 -12.140 7 HG2 MET 1 2HG MET 1 -28.859 -7.158 -11.431 8 HG3 MET 1 1HG MET 1 -29.183 -6.709 -13.106 9 HE1 MET 1 3HE MET 1 -31.670 -7.561 -13.007 10 HE2 MET 1 1HE MET 1 -31.435 -7.946 -11.302 11 HE3 MET 1 2HE MET 1 -32.138 -9.146 -12.386 12 H GLY 2 H GLY 2 -24.309 -6.212 -11.278 13 HA2 GLY 2 2HA GLY 2 -22.575 -7.176 -13.484 14 HA3 GLY 2 1HA GLY 2 -22.121 -5.846 -12.435 15 H HIS 3 H HIS 3 -21.514 -9.000 -13.033 16 HA HIS 3 HA HIS 3 -21.182 -9.887 -10.275 17 HB2 HIS 3 2HB HIS 3 -20.411 -11.248 -12.874 18 HB3 HIS 3 1HB HIS 3 -20.338 -11.982 -11.276 19 HD1 HIS 3 HD1 HIS 3 -22.989 -11.486 -10.066 20 HD2 HIS 3 HD2 HIS 3 -22.579 -12.263 -14.130 21 HE1 HIS 3 HE1 HIS 3 -25.229 -12.325 -10.821 22 HE2 HIS 3 HE2 HIS 3 -24.965 -12.784 -13.276 23 H HIS 4 H HIS 4 -19.243 -10.153 -9.216 24 HA HIS 4 HA HIS 4 -16.801 -9.217 -10.588 25 HB2 HIS 4 2HB HIS 4 -17.642 -8.476 -7.771 26 HB3 HIS 4 1HB HIS 4 -16.106 -8.049 -8.524 27 HD1 HIS 4 HD1 HIS 4 -19.520 -6.869 -8.085 28 HD2 HIS 4 HD2 HIS 4 -16.460 -6.257 -10.831 29 HE1 HIS 4 HE1 HIS 4 -20.128 -4.768 -9.313 30 HE2 HIS 4 HE2 HIS 4 -18.334 -4.488 -11.048 31 H HIS 5 H HIS 5 -15.363 -10.793 -10.631 32 HA HIS 5 HA HIS 5 -15.101 -12.578 -8.290 33 HB2 HIS 5 2HB HIS 5 -16.159 -13.648 -10.339 34 HB3 HIS 5 1HB HIS 5 -14.627 -13.408 -11.166 35 HD1 HIS 5 HD1 HIS 5 -16.058 -15.252 -8.180 36 HD2 HIS 5 HD2 HIS 5 -12.794 -15.402 -10.746 37 HE1 HIS 5 HE1 HIS 5 -14.873 -17.394 -7.638 38 HE2 HIS 5 HE2 HIS 5 -12.836 -17.398 -9.104 39 H HIS 6 H HIS 6 -13.229 -12.029 -7.312 40 HA HIS 6 HA HIS 6 -11.305 -10.392 -8.628 41 HB2 HIS 6 2HB HIS 6 -11.328 -11.654 -5.886 42 HB3 HIS 6 1HB HIS 6 -10.054 -10.572 -6.441 43 HD1 HIS 6 HD1 HIS 6 -10.548 -8.089 -6.470 44 HD2 HIS 6 HD2 HIS 6 -13.869 -10.388 -5.489 45 HE1 HIS 6 HE1 HIS 6 -12.286 -6.460 -5.686 46 HE2 HIS 6 HE2 HIS 6 -14.336 -7.848 -5.273 47 H HIS 7 H HIS 7 -9.761 -11.023 -9.939 48 HA HIS 7 HA HIS 7 -8.648 -13.720 -9.802 49 HB2 HIS 7 2HB HIS 7 -9.253 -12.926 -12.004 50 HB3 HIS 7 1HB HIS 7 -8.287 -11.470 -11.797 51 HD1 HIS 7 HD1 HIS 7 -5.849 -11.603 -12.426 52 HD2 HIS 7 HD2 HIS 7 -7.693 -15.329 -12.379 53 HE1 HIS 7 HE1 HIS 7 -4.187 -13.187 -13.431 54 HE2 HIS 7 HE2 HIS 7 -5.265 -15.451 -13.280 55 H HIS 8 H HIS 8 -7.064 -13.991 -8.351 56 HA HIS 8 HA HIS 8 -5.322 -11.890 -7.470 57 HB2 HIS 8 2HB HIS 8 -5.025 -14.870 -7.004 58 HB3 HIS 8 1HB HIS 8 -4.309 -13.572 -6.052 59 HD1 HIS 8 HD1 HIS 8 -7.495 -15.423 -6.606 60 HD2 HIS 8 HD2 HIS 8 -6.075 -12.312 -4.236 61 HE1 HIS 8 HE1 HIS 8 -9.283 -15.007 -4.898 62 HE2 HIS 8 HE2 HIS 8 -8.318 -13.271 -3.361 63 H SER 9 H SER 9 -3.254 -11.418 -8.087 64 HA SER 9 HA SER 9 -1.514 -13.132 -9.514 65 HB2 SER 9 2HB SER 9 -1.558 -12.058 -11.738 66 HB3 SER 9 1HB SER 9 -3.105 -12.810 -11.362 67 HG SER 9 HG SER 9 -2.892 -10.459 -12.215 68 H HIS 10 H HIS 10 0.328 -11.789 -10.602 69 HA HIS 10 HA HIS 10 1.301 -9.896 -8.683 70 HB2 HIS 10 2HB HIS 10 2.768 -11.479 -9.944 71 HB3 HIS 10 1HB HIS 10 2.428 -10.579 -11.416 72 HD1 HIS 10 HD1 HIS 10 4.073 -8.790 -11.959 73 HD2 HIS 10 HD2 HIS 10 4.129 -9.777 -7.922 74 HE1 HIS 10 HE1 HIS 10 5.983 -7.493 -10.976 75 HE2 HIS 10 HE2 HIS 10 5.879 -7.968 -8.505 76 H SER 11 H SER 11 -0.378 -8.279 -8.783 77 HA SER 11 HA SER 11 -0.354 -6.579 -11.196 78 HB2 SER 11 2HB SER 11 -2.579 -7.344 -10.478 79 HB3 SER 11 1HB SER 11 -2.327 -6.615 -8.893 80 HG SER 11 HG SER 11 -3.281 -4.973 -9.854 81 H THR 12 H THR 12 -0.671 -4.174 -10.703 82 HA THR 12 HA THR 12 1.203 -3.374 -8.550 83 HB THR 12 HB THR 12 1.676 -1.343 -9.988 84 HG1 THR 12 HG1 THR 12 -0.168 -1.575 -11.384 85 HG21 THR 12 3HG2 THR 12 3.229 -2.526 -11.502 86 HG22 THR 12 1HG2 THR 12 2.426 -4.046 -11.114 87 HG23 THR 12 2HG2 THR 12 3.289 -3.160 -9.858 88 H ILE 13 H ILE 13 0.452 -2.022 -7.039 89 HA ILE 13 HA ILE 13 -2.195 -0.851 -7.326 90 HB ILE 13 HB ILE 13 -1.902 -0.113 -4.968 91 HG12 ILE 13 2HG1 ILE 13 0.728 -1.627 -5.137 92 HG13 ILE 13 1HG1 ILE 13 0.567 0.119 -4.977 93 HG21 ILE 13 1HG2 ILE 13 -2.038 -2.355 -3.983 94 HG22 ILE 13 2HG2 ILE 13 -1.372 -3.048 -5.463 95 HG23 ILE 13 3HG2 ILE 13 -2.949 -2.255 -5.490 96 HD11 ILE 13 3HD1 ILE 13 1.116 -0.902 -2.855 97 HD12 ILE 13 1HD1 ILE 13 -0.312 -1.933 -2.955 98 HD13 ILE 13 2HD1 ILE 13 -0.495 -0.186 -2.795 99 H LYS 14 H LYS 14 -2.605 1.213 -7.821 100 HA LYS 14 HA LYS 14 -0.381 2.975 -8.446 101 HB2 LYS 14 2HB LYS 14 -3.357 3.376 -8.834 102 HB3 LYS 14 1HB LYS 14 -2.086 4.393 -9.503 103 HG2 LYS 14 2HG LYS 14 -1.277 2.527 -10.848 104 HG3 LYS 14 1HG LYS 14 -2.509 1.474 -10.154 105 HD2 LYS 14 2HD LYS 14 -3.051 3.960 -11.787 106 HD3 LYS 14 1HD LYS 14 -3.124 2.305 -12.396 107 HE2 LYS 14 2HE LYS 14 -4.924 1.795 -10.820 108 HE3 LYS 14 1HE LYS 14 -4.833 3.431 -10.169 109 HZ1 LYS 14 3HZ LYS 14 -5.583 2.698 -12.945 110 HZ2 LYS 14 1HZ LYS 14 -5.443 4.276 -12.358 111 HZ3 LYS 14 2HZ LYS 14 -6.633 3.251 -11.741 112 H LEU 15 H LEU 15 0.447 3.777 -6.561 113 HA LEU 15 HA LEU 15 -1.333 4.983 -4.576 114 HB2 LEU 15 2HB LEU 15 1.674 4.648 -4.537 115 HB3 LEU 15 1HB LEU 15 0.680 5.187 -3.195 116 HG LEU 15 HG LEU 15 0.645 2.435 -4.449 117 HD11 LEU 15 1HD1 LEU 15 2.609 2.817 -3.085 118 HD12 LEU 15 2HD1 LEU 15 1.510 1.706 -2.271 119 HD13 LEU 15 3HD1 LEU 15 1.606 3.390 -1.753 120 HD21 LEU 15 3HD2 LEU 15 -0.911 1.843 -2.639 121 HD22 LEU 15 1HD2 LEU 15 -1.595 3.049 -3.727 122 HD23 LEU 15 2HD2 LEU 15 -0.978 3.535 -2.150 123 H THR 16 H THR 16 -1.274 7.166 -3.992 124 HA THR 16 HA THR 16 0.102 8.941 -5.918 125 HB THR 16 HB THR 16 -2.365 9.593 -4.280 126 HG1 THR 16 HG1 THR 16 -2.203 8.057 -6.390 127 HG21 THR 16 3HG2 THR 16 -2.545 11.536 -5.776 128 HG22 THR 16 1HG2 THR 16 -1.039 11.068 -6.569 129 HG23 THR 16 2HG2 THR 16 -1.027 11.568 -4.879 130 H VAL 17 H VAL 17 1.987 9.477 -4.950 131 HA VAL 17 HA VAL 17 2.159 9.973 -2.101 132 HB VAL 17 HB VAL 17 4.267 10.296 -4.251 133 HG11 VAL 17 1HG1 VAL 17 5.883 10.204 -2.407 134 HG12 VAL 17 2HG1 VAL 17 4.558 10.163 -1.244 135 HG13 VAL 17 3HG1 VAL 17 4.801 11.589 -2.254 136 HG21 VAL 17 3HG2 VAL 17 3.442 7.995 -4.116 137 HG22 VAL 17 1HG2 VAL 17 3.759 7.974 -2.382 138 HG23 VAL 17 2HG2 VAL 17 5.098 8.112 -3.521 139 H LYS 18 H LYS 18 1.751 11.887 -1.187 140 HA LYS 18 HA LYS 18 1.627 14.309 -2.809 141 HB2 LYS 18 2HB LYS 18 0.844 13.755 0.058 142 HB3 LYS 18 1HB LYS 18 0.715 15.337 -0.699 143 HG2 LYS 18 2HG LYS 18 -0.885 14.484 -2.304 144 HG3 LYS 18 1HG LYS 18 -0.696 12.849 -1.661 145 HD2 LYS 18 2HD LYS 18 -1.632 13.517 0.460 146 HD3 LYS 18 1HD LYS 18 -1.684 15.206 -0.046 147 HE2 LYS 18 2HE LYS 18 -3.235 12.967 -1.351 148 HE3 LYS 18 1HE LYS 18 -3.891 14.078 -0.149 149 HZ1 LYS 18 3HZ LYS 18 -2.877 14.789 -2.849 150 HZ2 LYS 18 1HZ LYS 18 -3.357 15.914 -1.679 151 HZ3 LYS 18 2HZ LYS 18 -4.480 14.831 -2.322 152 H PHE 19 H PHE 19 3.782 14.814 -3.208 153 HA PHE 19 HA PHE 19 5.617 15.332 -1.026 154 HB2 PHE 19 2HB PHE 19 5.758 15.283 -3.959 155 HB3 PHE 19 1HB PHE 19 6.664 16.617 -3.264 156 HD1 PHE 19 HD1 PHE 19 8.246 15.982 -1.279 157 HD2 PHE 19 HD2 PHE 19 6.799 13.214 -4.179 158 HE1 PHE 19 HE1 PHE 19 10.144 14.494 -0.803 159 HE2 PHE 19 HE2 PHE 19 8.699 11.723 -3.699 160 HZ PHE 19 HZ PHE 19 10.370 12.362 -2.013 161 H GLY 20 H GLY 20 4.219 16.808 0.177 162 HA2 GLY 20 2HA GLY 20 3.651 18.923 0.897 163 HA3 GLY 20 1HA GLY 20 4.795 19.548 -0.282 164 H GLY 21 H GLY 21 4.029 19.831 -2.501 165 HA2 GLY 21 2HA GLY 21 1.085 20.147 -2.718 166 HA3 GLY 21 1HA GLY 21 2.226 21.282 -3.424 167 H LYS 22 H LYS 22 3.491 18.230 -3.735 168 HA LYS 22 HA LYS 22 2.618 18.027 -6.534 169 HB2 LYS 22 2HB LYS 22 4.968 16.887 -5.020 170 HB3 LYS 22 1HB LYS 22 4.544 16.328 -6.631 171 HG2 LYS 22 2HG LYS 22 5.128 19.210 -5.972 172 HG3 LYS 22 1HG LYS 22 6.352 18.062 -6.526 173 HD2 LYS 22 2HD LYS 22 5.087 17.698 -8.594 174 HD3 LYS 22 1HD LYS 22 3.839 18.816 -8.037 175 HE2 LYS 22 2HE LYS 22 6.731 19.551 -8.511 176 HE3 LYS 22 1HE LYS 22 5.417 19.842 -9.650 177 HZ1 LYS 22 3HZ LYS 22 4.371 21.294 -8.092 178 HZ2 LYS 22 1HZ LYS 22 5.978 21.787 -8.278 179 HZ3 LYS 22 2HZ LYS 22 5.509 20.935 -6.894 180 H SER 23 H SER 23 1.054 16.612 -7.034 181 HA SER 23 HA SER 23 0.622 14.256 -5.328 182 HB2 SER 23 2HB SER 23 -1.489 13.968 -6.632 183 HB3 SER 23 1HB SER 23 -1.397 15.519 -5.801 184 HG SER 23 HG SER 23 -0.849 15.046 -8.559 185 H ILE 24 H ILE 24 2.224 12.849 -5.913 186 HA ILE 24 HA ILE 24 2.755 12.338 -8.747 187 HB ILE 24 HB ILE 24 4.219 11.225 -6.342 188 HG12 ILE 24 2HG1 ILE 24 4.320 13.676 -6.293 189 HG13 ILE 24 1HG1 ILE 24 5.891 13.004 -6.716 190 HG21 ILE 24 1HG2 ILE 24 6.044 10.834 -7.932 191 HG22 ILE 24 2HG2 ILE 24 5.041 11.451 -9.242 192 HG23 ILE 24 3HG2 ILE 24 4.581 9.970 -8.402 193 HD11 ILE 24 3HD1 ILE 24 5.367 14.975 -8.036 194 HD12 ILE 24 1HD1 ILE 24 3.909 14.194 -8.646 195 HD13 ILE 24 2HD1 ILE 24 5.497 13.545 -9.058 196 HA PRO 25 HA PRO 25 0.377 8.493 -8.209 197 HB2 PRO 25 2HB PRO 25 -0.081 8.419 -11.027 198 HB3 PRO 25 1HB PRO 25 -1.211 8.912 -9.766 199 HG2 PRO 25 2HG PRO 25 -0.125 10.599 -11.699 200 HG3 PRO 25 1HG PRO 25 -0.871 11.126 -10.182 201 HD2 PRO 25 2HD PRO 25 2.030 10.812 -10.863 202 HD3 PRO 25 1HD PRO 25 1.229 12.045 -9.861 203 H LEU 26 H LEU 26 1.711 6.780 -7.878 204 HA LEU 26 HA LEU 26 3.440 5.869 -10.098 205 HB2 LEU 26 2HB LEU 26 3.968 5.701 -7.124 206 HB3 LEU 26 1HB LEU 26 4.977 4.976 -8.362 207 HG LEU 26 HG LEU 26 4.490 7.946 -8.030 208 HD11 LEU 26 1HD1 LEU 26 6.806 8.040 -7.254 209 HD12 LEU 26 2HD1 LEU 26 6.922 6.284 -7.363 210 HD13 LEU 26 3HD1 LEU 26 5.823 7.025 -6.199 211 HD21 LEU 26 3HD2 LEU 26 6.337 6.434 -9.885 212 HD22 LEU 26 1HD2 LEU 26 6.309 8.185 -9.677 213 HD23 LEU 26 2HD2 LEU 26 4.909 7.356 -10.355 214 H SER 27 H SER 27 3.276 3.755 -10.694 215 HA SER 27 HA SER 27 1.312 2.082 -9.280 216 HB2 SER 27 2HB SER 27 2.516 1.795 -12.049 217 HB3 SER 27 1HB SER 27 1.365 0.663 -11.338 218 HG SER 27 HG SER 27 0.955 3.197 -12.382 219 H VAL 28 H VAL 28 2.450 1.189 -7.592 220 HA VAL 28 HA VAL 28 4.922 -0.302 -8.245 221 HB VAL 28 HB VAL 28 5.515 -0.145 -5.870 222 HG11 VAL 28 1HG1 VAL 28 6.286 1.594 -7.419 223 HG12 VAL 28 2HG1 VAL 28 6.034 2.239 -5.798 224 HG13 VAL 28 3HG1 VAL 28 4.847 2.553 -7.064 225 HG21 VAL 28 3HG2 VAL 28 4.220 1.296 -4.345 226 HG22 VAL 28 1HG2 VAL 28 3.282 -0.093 -4.894 227 HG23 VAL 28 2HG2 VAL 28 2.990 1.499 -5.594 228 H SER 29 H SER 29 5.306 -2.260 -6.815 229 HA SER 29 HA SER 29 2.979 -3.975 -6.925 230 HB2 SER 29 2HB SER 29 5.834 -4.528 -6.061 231 HB3 SER 29 1HB SER 29 4.573 -5.755 -6.138 232 HG SER 29 HG SER 29 5.952 -4.473 -8.190 233 HA PRO 30 HA PRO 30 1.547 -3.353 -2.778 234 HB2 PRO 30 2HB PRO 30 0.424 -5.843 -2.344 235 HB3 PRO 30 1HB PRO 30 -0.354 -4.542 -3.250 236 HG2 PRO 30 2HG PRO 30 1.205 -6.894 -4.267 237 HG3 PRO 30 1HG PRO 30 -0.316 -6.209 -4.876 238 HD2 PRO 30 2HD PRO 30 2.010 -5.694 -6.094 239 HD3 PRO 30 1HD PRO 30 0.766 -4.434 -5.940 240 H ASP 31 H ASP 31 3.585 -6.116 -3.539 241 HA ASP 31 HA ASP 31 4.219 -6.704 -0.783 242 HB2 ASP 31 2HB ASP 31 5.487 -7.721 -3.339 243 HB3 ASP 31 1HB ASP 31 5.746 -8.381 -1.726 244 H CYS 32 H CYS 32 5.090 -4.157 -2.623 245 HA CYS 32 HA CYS 32 7.892 -4.012 -1.891 246 HB2 CYS 32 2HB CYS 32 6.049 -1.904 -3.053 247 HB3 CYS 32 1HB CYS 32 7.792 -1.733 -2.856 248 HG CYS 32 HG CYS 32 8.117 -2.399 -5.316 249 H THR 33 H THR 33 8.788 -2.549 -0.362 250 HA THR 33 HA THR 33 6.991 -1.951 1.876 251 HB THR 33 HB THR 33 8.954 -1.642 3.235 252 HG1 THR 33 HG1 THR 33 11.079 -1.998 2.057 253 HG21 THR 33 3HG2 THR 33 10.063 -3.813 3.024 254 HG22 THR 33 1HG2 THR 33 9.399 -4.010 1.401 255 HG23 THR 33 2HG2 THR 33 8.321 -3.979 2.799 256 H VAL 34 H VAL 34 7.264 0.137 3.051 257 HA VAL 34 HA VAL 34 7.173 2.389 1.316 258 HB VAL 34 HB VAL 34 7.074 3.765 3.352 259 HG11 VAL 34 1HG1 VAL 34 5.039 2.697 2.510 260 HG12 VAL 34 2HG1 VAL 34 5.006 2.830 4.267 261 HG13 VAL 34 3HG1 VAL 34 5.359 1.279 3.506 262 HG21 VAL 34 3HG2 VAL 34 7.138 2.721 5.572 263 HG22 VAL 34 1HG2 VAL 34 8.676 2.530 4.731 264 HG23 VAL 34 2HG2 VAL 34 7.556 1.174 4.837 265 H LYS 35 H LYS 35 9.741 0.819 3.041 266 HA LYS 35 HA LYS 35 11.692 2.885 2.793 267 HB2 LYS 35 2HB LYS 35 11.966 1.049 4.380 268 HB3 LYS 35 1HB LYS 35 11.999 -0.116 3.066 269 HG2 LYS 35 2HG LYS 35 14.118 0.679 2.305 270 HG3 LYS 35 1HG LYS 35 14.052 2.065 3.397 271 HD2 LYS 35 2HD LYS 35 14.207 0.608 5.327 272 HD3 LYS 35 1HD LYS 35 14.134 -0.821 4.294 273 HE2 LYS 35 2HE LYS 35 16.321 1.254 4.122 274 HE3 LYS 35 1HE LYS 35 16.432 -0.201 5.110 275 HZ1 LYS 35 3HZ LYS 35 17.475 -0.402 2.890 276 HZ2 LYS 35 1HZ LYS 35 15.949 -0.229 2.184 277 HZ3 LYS 35 2HZ LYS 35 16.274 -1.558 3.177 278 H ASP 36 H ASP 36 10.765 0.108 0.797 279 HA ASP 36 HA ASP 36 12.566 0.428 -1.320 280 HB2 ASP 36 2HB ASP 36 11.052 -1.515 -0.992 281 HB3 ASP 36 1HB ASP 36 9.676 -0.502 -1.417 282 H LEU 37 H LEU 37 9.338 1.847 -0.815 283 HA LEU 37 HA LEU 37 9.145 3.416 -3.099 284 HB2 LEU 37 2HB LEU 37 8.077 3.804 -0.313 285 HB3 LEU 37 1HB LEU 37 7.747 4.968 -1.585 286 HG LEU 37 HG LEU 37 6.991 2.040 -1.647 287 HD11 LEU 37 1HD1 LEU 37 5.284 4.504 -1.287 288 HD12 LEU 37 2HD1 LEU 37 5.647 3.299 -0.051 289 HD13 LEU 37 3HD1 LEU 37 4.690 2.853 -1.463 290 HD21 LEU 37 3HD2 LEU 37 6.430 4.271 -3.605 291 HD22 LEU 37 1HD2 LEU 37 5.754 2.642 -3.687 292 HD23 LEU 37 2HD2 LEU 37 7.494 2.889 -3.872 293 H LYS 38 H LYS 38 10.452 4.449 0.081 294 HA LYS 38 HA LYS 38 11.218 7.026 -0.653 295 HB2 LYS 38 2HB LYS 38 12.555 5.160 1.317 296 HB3 LYS 38 1HB LYS 38 12.900 6.878 1.187 297 HG2 LYS 38 2HG LYS 38 10.481 7.310 1.700 298 HG3 LYS 38 1HG LYS 38 10.313 5.586 2.042 299 HD2 LYS 38 2HD LYS 38 12.229 7.473 3.427 300 HD3 LYS 38 1HD LYS 38 10.689 6.920 4.085 301 HE2 LYS 38 2HE LYS 38 11.469 4.667 4.224 302 HE3 LYS 38 1HE LYS 38 12.917 5.044 3.291 303 HZ1 LYS 38 3HZ LYS 38 12.297 6.126 5.990 304 HZ2 LYS 38 1HZ LYS 38 13.699 6.422 5.093 305 HZ3 LYS 38 2HZ LYS 38 13.377 4.865 5.664 306 H SER 39 H SER 39 12.921 3.975 -1.088 307 HA SER 39 HA SER 39 15.385 5.041 -2.005 308 HB2 SER 39 2HB SER 39 14.156 2.340 -2.644 309 HB3 SER 39 1HB SER 39 15.859 2.774 -2.805 310 HG SER 39 HG SER 39 14.350 2.232 -0.522 311 H GLN 40 H GLN 40 12.371 4.273 -3.628 312 HA GLN 40 HA GLN 40 13.378 4.662 -6.294 313 HB2 GLN 40 2HB GLN 40 10.531 4.654 -5.249 314 HB3 GLN 40 1HB GLN 40 10.989 4.615 -6.948 315 HG2 GLN 40 2HG GLN 40 12.041 2.451 -6.647 316 HG3 GLN 40 1HG GLN 40 11.688 2.494 -4.921 317 HE21 GLN 40 1HE2 GLN 40 9.029 3.668 -5.365 318 HE22 GLN 40 2HE2 GLN 40 8.048 2.380 -5.948 319 H LEU 41 H LEU 41 11.554 6.620 -3.974 320 HA LEU 41 HA LEU 41 11.107 8.850 -5.643 321 HB2 LEU 41 2HB LEU 41 11.223 8.662 -2.634 322 HB3 LEU 41 1HB LEU 41 10.623 10.053 -3.519 323 HG LEU 41 HG LEU 41 9.416 7.280 -3.637 324 HD11 LEU 41 1HD1 LEU 41 9.115 8.288 -1.439 325 HD12 LEU 41 2HD1 LEU 41 7.587 8.219 -2.320 326 HD13 LEU 41 3HD1 LEU 41 8.458 9.748 -2.185 327 HD21 LEU 41 3HD2 LEU 41 7.558 8.380 -4.794 328 HD22 LEU 41 1HD2 LEU 41 9.067 8.543 -5.696 329 HD23 LEU 41 2HD2 LEU 41 8.441 9.907 -4.769 330 H GLN 42 H GLN 42 13.807 8.151 -3.418 331 HA GLN 42 HA GLN 42 14.840 10.691 -3.104 332 HB2 GLN 42 2HB GLN 42 15.712 8.863 -1.807 333 HB3 GLN 42 1HB GLN 42 16.347 8.077 -3.247 334 HG2 GLN 42 2HG GLN 42 17.906 9.955 -3.568 335 HG3 GLN 42 1HG GLN 42 17.281 10.708 -2.103 336 HE21 GLN 42 1HE2 GLN 42 19.305 10.665 -1.137 337 HE22 GLN 42 2HE2 GLN 42 20.010 9.204 -0.539 338 HA PRO 43 HA PRO 43 17.793 10.259 -6.932 339 HB2 PRO 43 2HB PRO 43 17.091 8.470 -8.877 340 HB3 PRO 43 1HB PRO 43 18.196 8.084 -7.552 341 HG2 PRO 43 2HG PRO 43 15.265 7.493 -7.807 342 HG3 PRO 43 1HG PRO 43 16.573 6.433 -7.245 343 HD2 PRO 43 2HD PRO 43 14.927 7.684 -5.521 344 HD3 PRO 43 1HD PRO 43 16.644 7.427 -5.148 345 H ILE 44 H ILE 44 14.402 10.307 -6.915 346 HA ILE 44 HA ILE 44 14.173 11.656 -9.510 347 HB ILE 44 HB ILE 44 12.045 10.837 -7.519 348 HG12 ILE 44 2HG1 ILE 44 12.800 9.635 -10.201 349 HG13 ILE 44 1HG1 ILE 44 13.165 8.931 -8.630 350 HG21 ILE 44 1HG2 ILE 44 11.341 12.794 -8.796 351 HG22 ILE 44 2HG2 ILE 44 10.426 11.369 -9.286 352 HG23 ILE 44 3HG2 ILE 44 11.736 11.968 -10.304 353 HD11 ILE 44 3HD1 ILE 44 10.791 8.660 -8.192 354 HD12 ILE 44 1HD1 ILE 44 11.261 7.851 -9.685 355 HD13 ILE 44 2HD1 ILE 44 10.411 9.393 -9.749 356 H THR 45 H THR 45 13.372 12.240 -6.084 357 HA THR 45 HA THR 45 12.862 15.072 -6.672 358 HB THR 45 HB THR 45 11.884 15.141 -4.383 359 HG1 THR 45 HG1 THR 45 11.501 12.774 -3.654 360 HG21 THR 45 3HG2 THR 45 10.475 14.669 -6.341 361 HG22 THR 45 1HG2 THR 45 9.902 13.802 -4.916 362 HG23 THR 45 2HG2 THR 45 10.808 12.946 -6.163 363 H ASN 46 H ASN 46 15.399 13.199 -5.558 364 HA ASN 46 HA ASN 46 17.452 13.684 -4.735 365 HB2 ASN 46 2HB ASN 46 16.594 16.546 -5.223 366 HB3 ASN 46 1HB ASN 46 18.234 16.051 -4.809 367 HD21 ASN 46 1HD2 ASN 46 15.777 16.027 -7.274 368 HD22 ASN 46 2HD2 ASN 46 16.812 15.541 -8.567 369 H VAL 47 H VAL 47 15.007 13.660 -2.898 370 HA VAL 47 HA VAL 47 16.056 15.242 -0.653 371 HB VAL 47 HB VAL 47 13.664 15.488 -1.160 372 HG11 VAL 47 1HG1 VAL 47 13.217 13.259 -2.043 373 HG12 VAL 47 2HG1 VAL 47 12.092 13.662 -0.747 374 HG13 VAL 47 3HG1 VAL 47 13.438 12.566 -0.435 375 HG21 VAL 47 3HG2 VAL 47 14.161 14.117 1.489 376 HG22 VAL 47 1HG2 VAL 47 12.799 15.171 1.106 377 HG23 VAL 47 2HG2 VAL 47 14.437 15.824 1.140 378 H LEU 48 H LEU 48 16.524 14.325 1.375 379 HA LEU 48 HA LEU 48 17.886 11.885 1.389 380 HB2 LEU 48 2HB LEU 48 16.754 13.435 3.724 381 HB3 LEU 48 1HB LEU 48 17.939 12.148 3.853 382 HG LEU 48 HG LEU 48 18.381 14.774 2.412 383 HD11 LEU 48 1HD1 LEU 48 19.425 13.823 5.083 384 HD12 LEU 48 2HD1 LEU 48 18.213 15.079 4.829 385 HD13 LEU 48 3HD1 LEU 48 19.866 15.327 4.269 386 HD21 LEU 48 3HD2 LEU 48 20.286 12.510 3.028 387 HD22 LEU 48 1HD2 LEU 48 20.732 14.066 2.325 388 HD23 LEU 48 2HD2 LEU 48 19.685 12.962 1.433 389 HA PRO 49 HA PRO 49 14.553 8.932 1.802 390 HB2 PRO 49 2HB PRO 49 16.031 6.741 2.446 391 HB3 PRO 49 1HB PRO 49 15.978 7.416 0.813 392 HG2 PRO 49 2HG PRO 49 18.052 7.791 2.949 393 HG3 PRO 49 1HG PRO 49 18.275 7.474 1.218 394 HD2 PRO 49 2HD PRO 49 18.503 9.959 2.277 395 HD3 PRO 49 1HD PRO 49 17.891 9.680 0.634 396 H ARG 50 H ARG 50 16.781 9.649 4.390 397 HA ARG 50 HA ARG 50 15.403 8.149 6.411 398 HB2 ARG 50 2HB ARG 50 17.804 8.774 6.562 399 HB3 ARG 50 1HB ARG 50 17.331 10.458 6.740 400 HG2 ARG 50 2HG ARG 50 16.146 9.896 8.822 401 HG3 ARG 50 1HG ARG 50 16.658 8.215 8.640 402 HD2 ARG 50 2HD ARG 50 18.449 10.618 9.010 403 HD3 ARG 50 1HD ARG 50 18.104 9.371 10.207 404 HE ARG 50 HE ARG 50 19.341 8.528 7.699 405 HH11 ARG 50 1HH1 ARG 50 19.688 9.209 11.055 406 HH12 ARG 50 2HH1 ARG 50 21.205 8.391 11.174 407 HH21 ARG 50 1HH2 ARG 50 21.284 7.488 7.856 408 HH22 ARG 50 2HH2 ARG 50 22.107 7.441 9.379 409 H GLY 51 H GLY 51 15.293 11.493 5.269 410 HA2 GLY 51 2HA GLY 51 13.603 12.414 7.420 411 HA3 GLY 51 1HA GLY 51 14.079 13.327 6.000 412 H GLN 52 H GLN 52 12.998 10.957 4.340 413 HA GLN 52 HA GLN 52 10.435 12.063 3.836 414 HB2 GLN 52 2HB GLN 52 11.784 9.538 2.881 415 HB3 GLN 52 1HB GLN 52 10.153 9.970 2.384 416 HG2 GLN 52 2HG GLN 52 11.005 12.067 1.436 417 HG3 GLN 52 1HG GLN 52 12.640 11.608 1.912 418 HE21 GLN 52 1HE2 GLN 52 13.729 10.081 0.718 419 HE22 GLN 52 2HE2 GLN 52 13.147 9.461 -0.783 420 H LYS 53 H LYS 53 9.116 12.000 5.616 421 HA LYS 53 HA LYS 53 8.530 9.468 6.936 422 HB2 LYS 53 2HB LYS 53 7.498 12.278 7.391 423 HB3 LYS 53 1HB LYS 53 7.044 10.890 8.370 424 HG2 LYS 53 2HG LYS 53 9.255 10.637 9.194 425 HG3 LYS 53 1HG LYS 53 9.895 11.787 8.022 426 HD2 LYS 53 2HD LYS 53 9.786 12.865 10.172 427 HD3 LYS 53 1HD LYS 53 8.560 13.579 9.129 428 HE2 LYS 53 2HE LYS 53 7.926 11.367 11.076 429 HE3 LYS 53 1HE LYS 53 7.907 13.064 11.545 430 HZ1 LYS 53 3HZ LYS 53 6.247 11.860 9.399 431 HZ2 LYS 53 1HZ LYS 53 6.222 13.482 9.873 432 HZ3 LYS 53 2HZ LYS 53 5.706 12.279 10.943 433 H LEU 54 H LEU 54 7.452 8.239 5.370 434 HA LEU 54 HA LEU 54 5.139 9.160 3.965 435 HB2 LEU 54 2HB LEU 54 6.289 6.421 4.479 436 HB3 LEU 54 1HB LEU 54 4.791 6.642 3.593 437 HG LEU 54 HG LEU 54 7.439 7.850 2.760 438 HD11 LEU 54 1HD1 LEU 54 7.553 5.419 2.638 439 HD12 LEU 54 2HD1 LEU 54 7.490 6.126 1.024 440 HD13 LEU 54 3HD1 LEU 54 6.050 5.379 1.718 441 HD21 LEU 54 3HD2 LEU 54 5.513 9.091 1.940 442 HD22 LEU 54 1HD2 LEU 54 4.787 7.605 1.326 443 HD23 LEU 54 2HD2 LEU 54 6.283 8.215 0.616 444 H ILE 55 H ILE 55 3.221 9.580 4.850 445 HA ILE 55 HA ILE 55 2.361 8.041 7.226 446 HB ILE 55 HB ILE 55 1.821 10.965 6.634 447 HG12 ILE 55 2HG1 ILE 55 3.559 9.694 8.774 448 HG13 ILE 55 1HG1 ILE 55 4.163 10.469 7.315 449 HG21 ILE 55 1HG2 ILE 55 0.810 11.035 8.872 450 HG22 ILE 55 2HG2 ILE 55 1.057 9.297 9.039 451 HG23 ILE 55 3HG2 ILE 55 -0.048 9.916 7.811 452 HD11 ILE 55 3HD1 ILE 55 3.200 12.593 8.064 453 HD12 ILE 55 1HD1 ILE 55 4.370 11.941 9.213 454 HD13 ILE 55 2HD1 ILE 55 2.640 11.804 9.541 455 H PHE 56 H PHE 56 0.397 7.122 7.162 456 HA PHE 56 HA PHE 56 -1.643 8.079 5.273 457 HB2 PHE 56 2HB PHE 56 -0.441 6.199 4.178 458 HB3 PHE 56 1HB PHE 56 -0.824 5.168 5.548 459 HD1 PHE 56 HD1 PHE 56 -2.629 7.405 3.141 460 HD2 PHE 56 HD2 PHE 56 -2.579 3.708 5.263 461 HE1 PHE 56 HE1 PHE 56 -4.719 6.739 2.025 462 HE2 PHE 56 HE2 PHE 56 -4.672 3.042 4.155 463 HZ PHE 56 HZ PHE 56 -5.743 4.553 2.532 464 H LYS 57 H LYS 57 -3.724 7.980 6.099 465 HA LYS 57 HA LYS 57 -5.384 7.846 7.657 466 HB2 LYS 57 2HB LYS 57 -3.789 5.437 8.557 467 HB3 LYS 57 1HB LYS 57 -5.338 5.880 9.258 468 HG2 LYS 57 2HG LYS 57 -4.912 5.255 6.339 469 HG3 LYS 57 1HG LYS 57 -5.466 4.087 7.543 470 HD2 LYS 57 2HD LYS 57 -7.402 5.580 8.023 471 HD3 LYS 57 1HD LYS 57 -6.868 6.634 6.711 472 HE2 LYS 57 2HE LYS 57 -7.158 4.824 5.111 473 HE3 LYS 57 1HE LYS 57 -7.616 3.722 6.410 474 HZ1 LYS 57 3HZ LYS 57 -9.555 4.556 5.264 475 HZ2 LYS 57 1HZ LYS 57 -9.110 6.154 5.588 476 HZ3 LYS 57 2HZ LYS 57 -9.541 5.120 6.854 477 H GLY 58 H GLY 58 -2.557 9.086 8.286 478 HA2 GLY 58 2HA GLY 58 -1.855 10.483 10.027 479 HA3 GLY 58 1HA GLY 58 -3.135 9.832 11.043 480 H LYS 59 H LYS 59 -1.447 7.363 9.549 481 HA LYS 59 HA LYS 59 0.185 6.850 11.950 482 HB2 LYS 59 2HB LYS 59 -1.542 5.160 11.417 483 HB3 LYS 59 1HB LYS 59 -0.829 4.937 9.826 484 HG2 LYS 59 2HG LYS 59 1.327 4.326 11.162 485 HG3 LYS 59 1HG LYS 59 0.208 4.082 12.504 486 HD2 LYS 59 2HD LYS 59 0.169 2.683 9.823 487 HD3 LYS 59 1HD LYS 59 0.587 1.974 11.382 488 HE2 LYS 59 2HE LYS 59 -2.126 3.082 10.637 489 HE3 LYS 59 1HE LYS 59 -1.690 1.375 10.640 490 HZ1 LYS 59 3HZ LYS 59 -2.878 2.095 12.652 491 HZ2 LYS 59 1HZ LYS 59 -1.595 3.126 13.032 492 HZ3 LYS 59 2HZ LYS 59 -1.350 1.454 12.991 493 H VAL 60 H VAL 60 2.396 6.769 11.742 494 HA VAL 60 HA VAL 60 3.597 7.080 9.118 495 HB VAL 60 HB VAL 60 4.573 8.355 10.930 496 HG11 VAL 60 1HG1 VAL 60 5.196 5.717 12.265 497 HG12 VAL 60 2HG1 VAL 60 4.013 6.907 12.812 498 HG13 VAL 60 3HG1 VAL 60 5.731 7.304 12.817 499 HG21 VAL 60 3HG2 VAL 60 6.068 7.631 9.140 500 HG22 VAL 60 1HG2 VAL 60 6.446 6.156 10.033 501 HG23 VAL 60 2HG2 VAL 60 6.930 7.726 10.674 502 H LEU 61 H LEU 61 4.137 5.414 7.853 503 HA LEU 61 HA LEU 61 3.670 2.739 8.729 504 HB2 LEU 61 2HB LEU 61 4.804 3.817 6.147 505 HB3 LEU 61 1HB LEU 61 4.498 2.116 6.430 506 HG LEU 61 HG LEU 61 2.673 2.956 5.150 507 HD11 LEU 61 1HD1 LEU 61 0.757 2.555 6.615 508 HD12 LEU 61 2HD1 LEU 61 1.799 2.718 8.027 509 HD13 LEU 61 3HD1 LEU 61 2.047 1.387 6.898 510 HD21 LEU 61 3HD2 LEU 61 1.286 4.849 5.848 511 HD22 LEU 61 1HD2 LEU 61 2.958 5.339 5.581 512 HD23 LEU 61 2HD2 LEU 61 2.355 5.129 7.223 513 H VAL 62 H VAL 62 5.131 0.953 8.692 514 HA VAL 62 HA VAL 62 7.789 1.633 9.697 515 HB VAL 62 HB VAL 62 6.433 -1.073 9.525 516 HG11 VAL 62 1HG1 VAL 62 8.861 -1.267 9.637 517 HG12 VAL 62 2HG1 VAL 62 8.129 -1.796 11.150 518 HG13 VAL 62 3HG1 VAL 62 8.895 -0.211 11.049 519 HG21 VAL 62 3HG2 VAL 62 5.996 -0.812 11.927 520 HG22 VAL 62 1HG2 VAL 62 5.196 0.446 10.985 521 HG23 VAL 62 2HG2 VAL 62 6.675 0.816 11.873 522 H GLU 63 H GLU 63 9.669 1.268 8.618 523 HA GLU 63 HA GLU 63 9.683 1.044 5.837 524 HB2 GLU 63 2HB GLU 63 11.884 0.693 7.866 525 HB3 GLU 63 1HB GLU 63 12.178 0.702 6.130 526 HG2 GLU 63 2HG GLU 63 11.417 2.951 5.927 527 HG3 GLU 63 1HG GLU 63 10.812 2.959 7.583 528 H THR 64 H THR 64 9.967 -1.507 8.238 529 HA THR 64 HA THR 64 10.834 -3.525 6.365 530 HB THR 64 HB THR 64 10.332 -5.129 8.213 531 HG1 THR 64 HG1 THR 64 9.098 -4.502 9.815 532 HG21 THR 64 3HG2 THR 64 11.930 -2.706 9.066 533 HG22 THR 64 1HG2 THR 64 12.537 -4.050 8.096 534 HG23 THR 64 2HG2 THR 64 12.043 -4.318 9.768 535 H SER 65 H SER 65 7.838 -2.094 7.071 536 HA SER 65 HA SER 65 6.230 -4.455 6.471 537 HB2 SER 65 2HB SER 65 5.527 -2.938 8.296 538 HB3 SER 65 1HB SER 65 5.365 -1.623 7.134 539 HG SER 65 HG SER 65 3.815 -3.108 6.038 540 H THR 66 H THR 66 5.140 -4.807 4.595 541 HA THR 66 HA THR 66 5.650 -3.061 2.327 542 HB THR 66 HB THR 66 4.633 -4.739 0.942 543 HG1 THR 66 HG1 THR 66 3.662 -6.634 1.998 544 HG21 THR 66 3HG2 THR 66 6.207 -6.118 3.126 545 HG22 THR 66 1HG2 THR 66 6.894 -5.269 1.740 546 HG23 THR 66 2HG2 THR 66 5.939 -6.732 1.492 547 H LEU 67 H LEU 67 3.814 -2.461 0.856 548 HA LEU 67 HA LEU 67 1.816 -1.009 2.222 549 HB2 LEU 67 2HB LEU 67 2.114 -1.793 -0.675 550 HB3 LEU 67 1HB LEU 67 0.744 -0.860 -0.110 551 HG LEU 67 HG LEU 67 2.355 0.641 -1.069 552 HD11 LEU 67 1HD1 LEU 67 1.143 1.466 0.876 553 HD12 LEU 67 2HD1 LEU 67 2.760 2.162 0.792 554 HD13 LEU 67 3HD1 LEU 67 2.418 0.866 1.940 555 HD21 LEU 67 3HD2 LEU 67 4.368 -0.484 0.879 556 HD22 LEU 67 1HD2 LEU 67 4.628 0.887 -0.199 557 HD23 LEU 67 2HD2 LEU 67 4.360 -0.721 -0.867 558 H LYS 68 H LYS 68 1.754 -4.196 0.686 559 HA LYS 68 HA LYS 68 -1.042 -4.612 0.972 560 HB2 LYS 68 2HB LYS 68 0.491 -5.888 -0.567 561 HB3 LYS 68 1HB LYS 68 1.090 -6.751 0.843 562 HG2 LYS 68 2HG LYS 68 -1.099 -7.674 1.270 563 HG3 LYS 68 1HG LYS 68 -1.796 -6.710 -0.035 564 HD2 LYS 68 2HD LYS 68 -0.350 -7.922 -1.649 565 HD3 LYS 68 1HD LYS 68 0.237 -8.933 -0.324 566 HE2 LYS 68 2HE LYS 68 -2.060 -9.711 0.086 567 HE3 LYS 68 1HE LYS 68 -2.633 -8.711 -1.247 568 HZ1 LYS 68 3HZ LYS 68 -0.702 -10.949 -1.489 569 HZ2 LYS 68 1HZ LYS 68 -1.294 -10.009 -2.762 570 HZ3 LYS 68 2HZ LYS 68 -2.340 -11.019 -1.901 571 H GLN 69 H GLN 69 1.733 -5.378 3.058 572 HA GLN 69 HA GLN 69 0.363 -6.743 5.098 573 HB2 GLN 69 2HB GLN 69 2.818 -4.982 5.153 574 HB3 GLN 69 1HB GLN 69 2.219 -5.790 6.596 575 HG2 GLN 69 2HG GLN 69 2.595 -7.946 5.642 576 HG3 GLN 69 1HG GLN 69 2.953 -7.248 4.064 577 HE21 GLN 69 1HE2 GLN 69 4.971 -8.280 4.029 578 HE22 GLN 69 2HE2 GLN 69 6.296 -7.716 4.981 579 H SER 70 H SER 70 0.372 -3.387 4.245 580 HA SER 70 HA SER 70 -1.072 -2.652 6.708 581 HB2 SER 70 2HB SER 70 0.049 -0.859 4.529 582 HB3 SER 70 1HB SER 70 -0.676 -0.319 6.045 583 HG SER 70 HG SER 70 1.788 -1.606 5.600 584 H ASP 71 H ASP 71 -1.905 -3.987 3.947 585 HA ASP 71 HA ASP 71 -3.762 -4.168 2.673 586 HB2 ASP 71 2HB ASP 71 -5.002 -2.740 5.032 587 HB3 ASP 71 1HB ASP 71 -5.925 -3.494 3.735 588 H VAL 72 H VAL 72 -2.095 -1.660 2.445 589 HA VAL 72 HA VAL 72 -3.840 0.434 1.575 590 HB VAL 72 HB VAL 72 -0.926 -0.032 0.874 591 HG11 VAL 72 1HG1 VAL 72 -0.860 2.364 0.384 592 HG12 VAL 72 2HG1 VAL 72 -2.586 2.487 0.723 593 HG13 VAL 72 3HG1 VAL 72 -2.025 1.537 -0.654 594 HG21 VAL 72 3HG2 VAL 72 -1.280 0.103 3.293 595 HG22 VAL 72 1HG2 VAL 72 -2.130 1.637 3.093 596 HG23 VAL 72 2HG2 VAL 72 -0.415 1.517 2.694 597 H GLY 73 H GLY 73 -5.094 0.343 -0.200 598 HA2 GLY 73 2HA GLY 73 -4.440 -1.542 -2.348 599 HA3 GLY 73 1HA GLY 73 -5.989 -0.763 -2.089 600 H SER 74 H SER 74 -5.465 -0.687 -4.563 601 HA SER 74 HA SER 74 -3.668 1.363 -5.457 602 HB2 SER 74 2HB SER 74 -4.251 -0.544 -6.898 603 HB3 SER 74 1HB SER 74 -5.931 -0.013 -6.937 604 HG SER 74 HG SER 74 -5.277 1.020 -8.654 605 H GLY 75 H GLY 75 -4.008 3.498 -5.569 606 HA2 GLY 75 2HA GLY 75 -5.352 5.407 -6.134 607 HA3 GLY 75 1HA GLY 75 -6.775 4.527 -5.605 608 H ALA 76 H ALA 76 -4.126 4.177 -3.497 609 HA ALA 76 HA ALA 76 -5.394 5.843 -1.485 610 HB1 ALA 76 3HB ALA 76 -4.544 3.619 -0.892 611 HB2 ALA 76 1HB ALA 76 -3.764 4.889 0.053 612 HB3 ALA 76 2HB ALA 76 -2.907 4.139 -1.298 613 H LYS 77 H LYS 77 -4.885 7.916 -1.157 614 HA LYS 77 HA LYS 77 -2.489 9.039 -2.381 615 HB2 LYS 77 2HB LYS 77 -4.797 10.389 -0.957 616 HB3 LYS 77 1HB LYS 77 -3.497 11.219 -1.808 617 HG2 LYS 77 2HG LYS 77 -4.194 10.193 -3.910 618 HG3 LYS 77 1HG LYS 77 -5.468 9.312 -3.067 619 HD2 LYS 77 2HD LYS 77 -6.561 11.418 -2.477 620 HD3 LYS 77 1HD LYS 77 -5.260 12.325 -3.255 621 HE2 LYS 77 2HE LYS 77 -5.841 11.314 -5.413 622 HE3 LYS 77 1HE LYS 77 -7.126 10.388 -4.641 623 HZ1 LYS 77 3HZ LYS 77 -7.931 12.388 -5.776 624 HZ2 LYS 77 1HZ LYS 77 -7.009 13.352 -4.737 625 HZ3 LYS 77 2HZ LYS 77 -8.272 12.414 -4.122 626 H LEU 78 H LEU 78 -0.686 8.799 -1.227 627 HA LEU 78 HA LEU 78 -0.718 8.647 1.670 628 HB2 LEU 78 2HB LEU 78 1.633 8.516 -0.226 629 HB3 LEU 78 1HB LEU 78 1.629 8.048 1.464 630 HG LEU 78 HG LEU 78 0.093 6.662 -0.748 631 HD11 LEU 78 1HD1 LEU 78 1.676 4.822 -0.387 632 HD12 LEU 78 2HD1 LEU 78 2.566 5.818 0.766 633 HD13 LEU 78 3HD1 LEU 78 2.486 6.290 -0.933 634 HD21 LEU 78 3HD2 LEU 78 -0.433 4.969 0.927 635 HD22 LEU 78 1HD2 LEU 78 -1.066 6.541 1.411 636 HD23 LEU 78 2HD2 LEU 78 0.399 5.912 2.166 637 H MET 79 H MET 79 -0.015 10.180 3.087 638 HA MET 79 HA MET 79 0.772 12.792 2.033 639 HB2 MET 79 2HB MET 79 -0.950 12.694 3.788 640 HB3 MET 79 1HB MET 79 0.180 11.893 4.870 641 HG2 MET 79 2HG MET 79 1.606 13.899 4.838 642 HG3 MET 79 1HG MET 79 0.431 14.698 3.794 643 HE1 MET 79 3HE MET 79 -0.006 16.542 7.235 644 HE2 MET 79 1HE MET 79 0.311 16.743 5.512 645 HE3 MET 79 2HE MET 79 1.493 15.929 6.538 646 H LEU 80 H LEU 80 2.911 13.059 1.608 647 HA LEU 80 HA LEU 80 4.854 11.607 3.263 648 HB2 LEU 80 2HB LEU 80 5.029 11.188 0.892 649 HB3 LEU 80 1HB LEU 80 5.143 12.906 0.554 650 HG LEU 80 HG LEU 80 7.334 13.038 1.542 651 HD11 LEU 80 1HD1 LEU 80 6.991 10.140 2.320 652 HD12 LEU 80 2HD1 LEU 80 7.009 11.518 3.422 653 HD13 LEU 80 3HD1 LEU 80 8.460 11.098 2.513 654 HD21 LEU 80 3HD2 LEU 80 7.214 12.240 -0.768 655 HD22 LEU 80 1HD2 LEU 80 7.151 10.573 -0.190 656 HD23 LEU 80 2HD2 LEU 80 8.594 11.551 0.087 657 H MET 81 H MET 81 5.493 12.737 4.969 658 HA MET 81 HA MET 81 5.967 15.596 4.838 659 HB2 MET 81 2HB MET 81 5.027 14.726 6.881 660 HB3 MET 81 1HB MET 81 6.329 13.561 7.045 661 HG2 MET 81 2HG MET 81 7.920 15.384 7.410 662 HG3 MET 81 1HG MET 81 6.611 16.554 7.242 663 HE1 MET 81 3HE MET 81 4.439 15.929 10.387 664 HE2 MET 81 1HE MET 81 4.191 15.347 8.740 665 HE3 MET 81 2HE MET 81 4.761 16.993 9.016 666 H ALA 82 H ALA 82 7.628 15.834 3.359 667 HA ALA 82 HA ALA 82 10.286 14.936 4.284 668 HB1 ALA 82 3HB ALA 82 9.348 14.994 1.411 669 HB2 ALA 82 1HB ALA 82 9.640 13.550 2.382 670 HB3 ALA 82 2HB ALA 82 10.982 14.611 1.956 671 H SER 83 H SER 83 11.402 16.690 4.857 672 HA SER 83 HA SER 83 10.810 19.276 3.582 673 HB2 SER 83 2HB SER 83 11.894 20.295 5.527 674 HB3 SER 83 1HB SER 83 10.645 19.163 6.042 675 HG SER 83 HG SER 83 12.876 17.770 5.872 676 H GLN 84 H GLN 84 12.343 20.530 2.599 677 HA GLN 84 HA GLN 84 14.763 19.309 1.656 678 HB2 GLN 84 2HB GLN 84 13.682 22.125 1.421 679 HB3 GLN 84 1HB GLN 84 15.164 21.584 0.646 680 HG2 GLN 84 2HG GLN 84 13.969 20.031 -0.724 681 HG3 GLN 84 1HG GLN 84 12.470 20.322 0.159 682 HE21 GLN 84 1HE2 GLN 84 11.411 20.908 -1.740 683 HE22 GLN 84 2HE2 GLN 84 11.697 22.416 -2.532 684 H GLY 85 H GLY 85 13.938 21.569 4.205 685 HA2 GLY 85 2HA GLY 85 16.314 21.149 5.662 686 HA3 GLY 85 1HA GLY 85 16.484 22.639 4.747 Start of MODEL 10 1 H1 MET 1 1H MET 1 -3.665 -1.687 -18.038 2 H2 MET 1 2H MET 1 -5.059 -1.504 -18.977 3 H3 MET 1 3H MET 1 -3.615 -0.774 -19.458 4 HA MET 1 HA MET 1 -2.581 -2.880 -19.842 5 HB2 MET 1 2HB MET 1 -5.241 -4.023 -18.954 6 HB3 MET 1 1HB MET 1 -3.956 -4.965 -19.700 7 HG2 MET 1 2HG MET 1 -4.000 -5.208 -17.269 8 HG3 MET 1 1HG MET 1 -2.487 -4.504 -17.836 9 HE1 MET 1 3HE MET 1 -1.851 -3.662 -15.428 10 HE2 MET 1 1HE MET 1 -3.324 -4.400 -14.788 11 HE3 MET 1 2HE MET 1 -2.930 -2.727 -14.395 12 H GLY 2 H GLY 2 -6.083 -3.152 -20.612 13 HA2 GLY 2 2HA GLY 2 -6.791 -1.972 -22.715 14 HA3 GLY 2 1HA GLY 2 -5.363 -2.671 -23.452 15 H HIS 3 H HIS 3 -5.295 -5.051 -23.642 16 HA HIS 3 HA HIS 3 -8.007 -6.087 -24.173 17 HB2 HIS 3 2HB HIS 3 -5.357 -6.853 -25.409 18 HB3 HIS 3 1HB HIS 3 -6.903 -7.601 -25.800 19 HD1 HIS 3 HD1 HIS 3 -4.697 -5.031 -26.955 20 HD2 HIS 3 HD2 HIS 3 -8.820 -5.511 -26.811 21 HE1 HIS 3 HE1 HIS 3 -5.625 -3.403 -28.622 22 HE2 HIS 3 HE2 HIS 3 -8.118 -3.586 -28.381 23 H HIS 4 H HIS 4 -5.821 -6.370 -21.791 24 HA HIS 4 HA HIS 4 -5.845 -9.267 -21.519 25 HB2 HIS 4 2HB HIS 4 -4.749 -7.112 -19.686 26 HB3 HIS 4 1HB HIS 4 -4.577 -8.843 -19.415 27 HD1 HIS 4 HD1 HIS 4 -2.731 -10.050 -20.679 28 HD2 HIS 4 HD2 HIS 4 -3.231 -6.109 -21.899 29 HE1 HIS 4 HE1 HIS 4 -0.777 -9.555 -22.169 30 HE2 HIS 4 HE2 HIS 4 -1.135 -7.192 -22.954 31 H HIS 5 H HIS 5 -8.186 -9.406 -21.496 32 HA HIS 5 HA HIS 5 -9.470 -8.561 -18.985 33 HB2 HIS 5 2HB HIS 5 -11.610 -9.267 -20.224 34 HB3 HIS 5 1HB HIS 5 -10.780 -7.825 -20.794 35 HD1 HIS 5 HD1 HIS 5 -10.125 -7.769 -23.198 36 HD2 HIS 5 HD2 HIS 5 -11.182 -11.590 -21.951 37 HE1 HIS 5 HE1 HIS 5 -10.156 -9.168 -25.278 38 HE2 HIS 5 HE2 HIS 5 -10.741 -11.488 -24.500 39 H HIS 6 H HIS 6 -8.836 -11.444 -20.946 40 HA HIS 6 HA HIS 6 -9.932 -13.169 -18.851 41 HB2 HIS 6 2HB HIS 6 -10.411 -13.678 -21.243 42 HB3 HIS 6 1HB HIS 6 -8.689 -13.923 -21.514 43 HD1 HIS 6 HD1 HIS 6 -11.549 -15.422 -19.517 44 HD2 HIS 6 HD2 HIS 6 -7.810 -16.460 -21.004 45 HE1 HIS 6 HE1 HIS 6 -11.292 -17.871 -19.042 46 HE2 HIS 6 HE2 HIS 6 -9.134 -18.513 -20.160 47 H HIS 7 H HIS 7 -7.059 -11.636 -19.469 48 HA HIS 7 HA HIS 7 -5.597 -13.499 -17.725 49 HB2 HIS 7 2HB HIS 7 -4.577 -12.299 -20.308 50 HB3 HIS 7 1HB HIS 7 -3.498 -12.926 -19.066 51 HD1 HIS 7 HD1 HIS 7 -3.290 -15.465 -18.849 52 HD2 HIS 7 HD2 HIS 7 -6.084 -14.277 -21.690 53 HE1 HIS 7 HE1 HIS 7 -3.869 -17.541 -20.136 54 HE2 HIS 7 HE2 HIS 7 -5.691 -16.835 -21.718 55 H HIS 8 H HIS 8 -4.288 -12.522 -16.206 56 HA HIS 8 HA HIS 8 -4.662 -9.625 -15.902 57 HB2 HIS 8 2HB HIS 8 -5.414 -10.975 -14.039 58 HB3 HIS 8 1HB HIS 8 -3.856 -11.785 -13.940 59 HD1 HIS 8 HD1 HIS 8 -2.504 -10.966 -12.065 60 HD2 HIS 8 HD2 HIS 8 -4.962 -7.977 -13.578 61 HE1 HIS 8 HE1 HIS 8 -2.071 -8.954 -10.631 62 HE2 HIS 8 HE2 HIS 8 -3.688 -7.214 -11.461 63 H SER 9 H SER 9 -3.019 -8.207 -16.120 64 HA SER 9 HA SER 9 -0.354 -8.998 -16.770 65 HB2 SER 9 2HB SER 9 -1.431 -6.285 -15.931 66 HB3 SER 9 1HB SER 9 0.173 -6.569 -16.608 67 HG SER 9 HG SER 9 -0.910 -6.128 -18.391 68 H HIS 10 H HIS 10 1.395 -7.453 -15.348 69 HA HIS 10 HA HIS 10 1.775 -9.004 -13.006 70 HB2 HIS 10 2HB HIS 10 3.651 -8.019 -14.262 71 HB3 HIS 10 1HB HIS 10 3.120 -6.406 -13.802 72 HD1 HIS 10 HD1 HIS 10 4.213 -9.604 -12.047 73 HD2 HIS 10 HD2 HIS 10 4.390 -5.482 -11.583 74 HE1 HIS 10 HE1 HIS 10 5.577 -9.220 -9.983 75 HE2 HIS 10 HE2 HIS 10 5.495 -6.741 -9.609 76 H SER 11 H SER 11 1.112 -8.737 -10.960 77 HA SER 11 HA SER 11 -0.903 -6.940 -10.251 78 HB2 SER 11 2HB SER 11 -0.536 -9.044 -9.055 79 HB3 SER 11 1HB SER 11 0.994 -8.438 -8.422 80 HG SER 11 HG SER 11 -0.483 -8.092 -6.839 81 H THR 12 H THR 12 -0.599 -4.785 -10.381 82 HA THR 12 HA THR 12 1.360 -3.589 -8.538 83 HB THR 12 HB THR 12 1.787 -1.738 -10.150 84 HG1 THR 12 HG1 THR 12 -0.206 -2.575 -11.471 85 HG21 THR 12 3HG2 THR 12 2.567 -4.480 -11.157 86 HG22 THR 12 1HG2 THR 12 3.412 -3.549 -9.920 87 HG23 THR 12 2HG2 THR 12 3.358 -2.960 -11.579 88 H ILE 13 H ILE 13 0.342 -2.327 -7.128 89 HA ILE 13 HA ILE 13 -2.330 -1.301 -7.685 90 HB ILE 13 HB ILE 13 -2.291 -0.507 -5.338 91 HG12 ILE 13 2HG1 ILE 13 0.463 -1.781 -5.254 92 HG13 ILE 13 1HG1 ILE 13 0.136 -0.054 -5.169 93 HG21 ILE 13 1HG2 ILE 13 -2.308 -2.720 -4.279 94 HG22 ILE 13 2HG2 ILE 13 -1.473 -3.398 -5.679 95 HG23 ILE 13 3HG2 ILE 13 -3.105 -2.752 -5.854 96 HD11 ILE 13 3HD1 ILE 13 0.618 -0.969 -2.980 97 HD12 ILE 13 1HD1 ILE 13 -0.712 -2.117 -3.147 98 HD13 ILE 13 2HD1 ILE 13 -1.047 -0.387 -3.059 99 H LYS 14 H LYS 14 -2.897 0.910 -7.695 100 HA LYS 14 HA LYS 14 -0.741 2.708 -8.516 101 HB2 LYS 14 2HB LYS 14 -3.744 3.131 -8.506 102 HB3 LYS 14 1HB LYS 14 -2.557 4.216 -9.218 103 HG2 LYS 14 2HG LYS 14 -1.902 2.438 -10.793 104 HG3 LYS 14 1HG LYS 14 -3.135 1.389 -10.094 105 HD2 LYS 14 2HD LYS 14 -4.119 2.279 -12.041 106 HD3 LYS 14 1HD LYS 14 -4.820 3.201 -10.713 107 HE2 LYS 14 2HE LYS 14 -2.469 4.138 -12.364 108 HE3 LYS 14 1HE LYS 14 -4.142 4.559 -12.716 109 HZ1 LYS 14 3HZ LYS 14 -4.266 5.587 -10.497 110 HZ2 LYS 14 1HZ LYS 14 -3.107 6.317 -11.490 111 HZ3 LYS 14 2HZ LYS 14 -2.623 5.263 -10.263 112 H LEU 15 H LEU 15 0.063 4.313 -7.269 113 HA LEU 15 HA LEU 15 -1.363 5.004 -4.770 114 HB2 LEU 15 2HB LEU 15 1.629 5.037 -5.244 115 HB3 LEU 15 1HB LEU 15 0.821 5.496 -3.759 116 HG LEU 15 HG LEU 15 -0.047 3.080 -3.675 117 HD11 LEU 15 1HD1 LEU 15 1.328 1.418 -4.829 118 HD12 LEU 15 2HD1 LEU 15 2.177 2.710 -5.680 119 HD13 LEU 15 3HD1 LEU 15 0.458 2.445 -5.966 120 HD21 LEU 15 3HD2 LEU 15 2.048 2.273 -2.662 121 HD22 LEU 15 1HD2 LEU 15 1.638 3.910 -2.150 122 HD23 LEU 15 2HD2 LEU 15 2.899 3.654 -3.357 123 H THR 16 H THR 16 -1.251 7.189 -4.058 124 HA THR 16 HA THR 16 -0.152 9.137 -5.996 125 HB THR 16 HB THR 16 -2.714 9.481 -4.406 126 HG1 THR 16 HG1 THR 16 -3.472 9.715 -6.737 127 HG21 THR 16 3HG2 THR 16 -2.941 11.606 -5.636 128 HG22 THR 16 1HG2 THR 16 -1.352 11.351 -6.357 129 HG23 THR 16 2HG2 THR 16 -1.502 11.594 -4.616 130 H VAL 17 H VAL 17 1.698 9.677 -4.933 131 HA VAL 17 HA VAL 17 1.757 9.999 -2.060 132 HB VAL 17 HB VAL 17 3.934 10.526 -4.097 133 HG11 VAL 17 1HG1 VAL 17 5.475 10.359 -2.192 134 HG12 VAL 17 2HG1 VAL 17 4.102 10.201 -1.096 135 HG13 VAL 17 3HG1 VAL 17 4.344 11.698 -1.997 136 HG21 VAL 17 3HG2 VAL 17 3.220 8.202 -4.171 137 HG22 VAL 17 1HG2 VAL 17 3.382 8.070 -2.420 138 HG23 VAL 17 2HG2 VAL 17 4.813 8.320 -3.421 139 H LYS 18 H LYS 18 1.133 11.806 -1.083 140 HA LYS 18 HA LYS 18 1.026 14.369 -2.390 141 HB2 LYS 18 2HB LYS 18 0.624 13.614 0.519 142 HB3 LYS 18 1HB LYS 18 0.303 15.203 -0.162 143 HG2 LYS 18 2HG LYS 18 -1.435 14.266 -1.590 144 HG3 LYS 18 1HG LYS 18 -1.088 12.650 -0.972 145 HD2 LYS 18 2HD LYS 18 -3.058 13.618 0.119 146 HD3 LYS 18 1HD LYS 18 -1.753 13.352 1.276 147 HE2 LYS 18 2HE LYS 18 -2.823 15.510 1.662 148 HE3 LYS 18 1HE LYS 18 -1.153 15.730 1.142 149 HZ1 LYS 18 3HZ LYS 18 -3.548 15.988 -0.592 150 HZ2 LYS 18 1HZ LYS 18 -1.947 16.214 -1.085 151 HZ3 LYS 18 2HZ LYS 18 -2.646 17.268 0.037 152 H PHE 19 H PHE 19 3.116 14.921 -2.972 153 HA PHE 19 HA PHE 19 5.145 15.111 -0.851 154 HB2 PHE 19 2HB PHE 19 5.827 13.872 -2.829 155 HB3 PHE 19 1HB PHE 19 5.395 15.223 -3.863 156 HD1 PHE 19 HD1 PHE 19 7.350 15.086 -0.693 157 HD2 PHE 19 HD2 PHE 19 7.341 15.986 -4.853 158 HE1 PHE 19 HE1 PHE 19 9.655 15.931 -0.510 159 HE2 PHE 19 HE2 PHE 19 9.638 16.837 -4.673 160 HZ PHE 19 HZ PHE 19 10.800 16.813 -2.504 161 H GLY 20 H GLY 20 4.744 17.001 0.209 162 HA2 GLY 20 2HA GLY 20 4.683 19.263 0.617 163 HA3 GLY 20 1HA GLY 20 5.747 19.400 -0.771 164 H GLY 21 H GLY 21 2.326 18.404 -0.584 165 HA2 GLY 21 2HA GLY 21 0.431 19.589 -1.294 166 HA3 GLY 21 1HA GLY 21 1.470 20.864 -1.902 167 H LYS 22 H LYS 22 2.957 18.378 -3.221 168 HA LYS 22 HA LYS 22 1.504 18.570 -5.734 169 HB2 LYS 22 2HB LYS 22 4.157 17.360 -4.954 170 HB3 LYS 22 1HB LYS 22 3.458 17.103 -6.546 171 HG2 LYS 22 2HG LYS 22 4.061 19.817 -5.375 172 HG3 LYS 22 1HG LYS 22 5.133 18.929 -6.462 173 HD2 LYS 22 2HD LYS 22 3.345 18.911 -8.170 174 HD3 LYS 22 1HD LYS 22 2.323 19.859 -7.089 175 HE2 LYS 22 2HE LYS 22 5.023 20.750 -8.099 176 HE3 LYS 22 1HE LYS 22 3.488 21.200 -8.840 177 HZ1 LYS 22 3HZ LYS 22 4.313 22.912 -7.337 178 HZ2 LYS 22 1HZ LYS 22 4.287 21.820 -6.046 179 HZ3 LYS 22 2HZ LYS 22 2.845 22.283 -6.790 180 H SER 23 H SER 23 1.189 16.586 -7.059 181 HA SER 23 HA SER 23 0.362 14.263 -5.422 182 HB2 SER 23 2HB SER 23 -1.394 13.844 -7.139 183 HB3 SER 23 1HB SER 23 -1.601 15.400 -6.336 184 HG SER 23 HG SER 23 -0.514 14.916 -8.926 185 H ILE 24 H ILE 24 1.958 12.794 -5.698 186 HA ILE 24 HA ILE 24 3.140 12.398 -8.361 187 HB ILE 24 HB ILE 24 3.993 11.158 -5.730 188 HG12 ILE 24 2HG1 ILE 24 4.214 13.599 -5.613 189 HG13 ILE 24 1HG1 ILE 24 5.801 12.844 -5.705 190 HG21 ILE 24 1HG2 ILE 24 6.097 10.680 -6.909 191 HG22 ILE 24 2HG2 ILE 24 5.414 11.347 -8.393 192 HG23 ILE 24 3HG2 ILE 24 4.719 9.892 -7.679 193 HD11 ILE 24 3HD1 ILE 24 5.721 14.825 -7.076 194 HD12 ILE 24 1HD1 ILE 24 4.333 14.193 -7.960 195 HD13 ILE 24 2HD1 ILE 24 5.902 13.398 -8.094 196 HA PRO 25 HA PRO 25 0.338 8.796 -8.412 197 HB2 PRO 25 2HB PRO 25 0.453 8.871 -11.293 198 HB3 PRO 25 1HB PRO 25 -0.892 9.313 -10.241 199 HG2 PRO 25 2HG PRO 25 0.519 11.106 -11.780 200 HG3 PRO 25 1HG PRO 25 -0.373 11.540 -10.310 201 HD2 PRO 25 2HD PRO 25 2.566 11.043 -10.671 202 HD3 PRO 25 1HD PRO 25 1.743 12.291 -9.709 203 H LEU 26 H LEU 26 1.636 7.122 -7.756 204 HA LEU 26 HA LEU 26 3.600 6.036 -9.674 205 HB2 LEU 26 2HB LEU 26 3.325 5.543 -6.700 206 HB3 LEU 26 1HB LEU 26 4.558 4.843 -7.733 207 HG LEU 26 HG LEU 26 4.250 7.786 -7.095 208 HD11 LEU 26 1HD1 LEU 26 6.355 7.497 -5.866 209 HD12 LEU 26 2HD1 LEU 26 6.311 5.766 -6.199 210 HD13 LEU 26 3HD1 LEU 26 5.062 6.502 -5.194 211 HD21 LEU 26 3HD2 LEU 26 5.123 7.473 -9.347 212 HD22 LEU 26 1HD2 LEU 26 6.342 6.351 -8.740 213 HD23 LEU 26 2HD2 LEU 26 6.393 8.051 -8.271 214 H SER 27 H SER 27 3.855 3.562 -9.408 215 HA SER 27 HA SER 27 1.472 2.104 -8.633 216 HB2 SER 27 2HB SER 27 1.250 0.941 -10.831 217 HB3 SER 27 1HB SER 27 0.859 2.657 -10.920 218 HG SER 27 HG SER 27 3.219 1.343 -11.803 219 H VAL 28 H VAL 28 2.343 0.610 -7.353 220 HA VAL 28 HA VAL 28 4.830 -0.746 -8.211 221 HB VAL 28 HB VAL 28 5.652 -0.772 -5.943 222 HG11 VAL 28 1HG1 VAL 28 6.255 1.185 -7.222 223 HG12 VAL 28 2HG1 VAL 28 5.985 1.650 -5.542 224 HG13 VAL 28 3HG1 VAL 28 4.758 1.997 -6.759 225 HG21 VAL 28 3HG2 VAL 28 4.491 0.359 -4.097 226 HG22 VAL 28 1HG2 VAL 28 3.528 -0.968 -4.748 227 HG23 VAL 28 2HG2 VAL 28 3.128 0.697 -5.162 228 H SER 29 H SER 29 5.187 -2.846 -7.082 229 HA SER 29 HA SER 29 2.723 -4.379 -6.960 230 HB2 SER 29 2HB SER 29 5.630 -5.215 -6.743 231 HB3 SER 29 1HB SER 29 4.268 -6.337 -6.731 232 HG SER 29 HG SER 29 3.704 -5.498 -8.815 233 HA PRO 30 HA PRO 30 2.169 -4.376 -2.573 234 HB2 PRO 30 2HB PRO 30 1.396 -7.002 -2.143 235 HB3 PRO 30 1HB PRO 30 0.329 -5.722 -2.733 236 HG2 PRO 30 2HG PRO 30 1.804 -7.823 -4.284 237 HG3 PRO 30 1HG PRO 30 0.141 -7.238 -4.489 238 HD2 PRO 30 2HD PRO 30 2.106 -6.417 -6.114 239 HD3 PRO 30 1HD PRO 30 0.827 -5.299 -5.589 240 H ASP 31 H ASP 31 4.497 -6.411 -4.046 241 HA ASP 31 HA ASP 31 5.654 -7.591 -1.729 242 HB2 ASP 31 2HB ASP 31 7.016 -6.956 -4.359 243 HB3 ASP 31 1HB ASP 31 7.493 -8.179 -3.185 244 H CYS 32 H CYS 32 5.986 -4.470 -3.266 245 HA CYS 32 HA CYS 32 8.521 -3.766 -2.193 246 HB2 CYS 32 2HB CYS 32 6.287 -2.023 -3.258 247 HB3 CYS 32 1HB CYS 32 7.901 -1.443 -2.862 248 HG CYS 32 HG CYS 32 9.186 -2.453 -4.931 249 H THR 33 H THR 33 9.099 -2.590 -0.414 250 HA THR 33 HA THR 33 7.084 -2.230 1.686 251 HB THR 33 HB THR 33 8.920 -1.891 3.233 252 HG1 THR 33 HG1 THR 33 11.131 -2.165 2.258 253 HG21 THR 33 3HG2 THR 33 10.114 -4.044 3.008 254 HG22 THR 33 1HG2 THR 33 9.482 -4.211 1.371 255 HG23 THR 33 2HG2 THR 33 8.379 -4.220 2.748 256 H VAL 34 H VAL 34 7.131 -0.207 2.986 257 HA VAL 34 HA VAL 34 6.974 2.111 1.378 258 HB VAL 34 HB VAL 34 6.720 3.386 3.449 259 HG11 VAL 34 1HG1 VAL 34 4.788 2.172 2.595 260 HG12 VAL 34 2HG1 VAL 34 4.757 2.225 4.356 261 HG13 VAL 34 3HG1 VAL 34 5.248 0.747 3.528 262 HG21 VAL 34 3HG2 VAL 34 6.877 2.285 5.644 263 HG22 VAL 34 1HG2 VAL 34 8.429 2.304 4.808 264 HG23 VAL 34 2HG2 VAL 34 7.476 0.822 4.861 265 H LYS 35 H LYS 35 9.647 0.603 2.969 266 HA LYS 35 HA LYS 35 11.418 2.875 2.836 267 HB2 LYS 35 2HB LYS 35 11.751 1.045 4.466 268 HB3 LYS 35 1HB LYS 35 12.059 -0.072 3.145 269 HG2 LYS 35 2HG LYS 35 14.053 1.167 2.521 270 HG3 LYS 35 1HG LYS 35 13.720 2.365 3.775 271 HD2 LYS 35 2HD LYS 35 13.985 0.650 5.498 272 HD3 LYS 35 1HD LYS 35 14.282 -0.568 4.256 273 HE2 LYS 35 2HE LYS 35 16.371 0.206 5.272 274 HE3 LYS 35 1HE LYS 35 16.301 0.618 3.559 275 HZ1 LYS 35 3HZ LYS 35 15.735 2.868 4.127 276 HZ2 LYS 35 1HZ LYS 35 17.142 2.432 4.956 277 HZ3 LYS 35 2HZ LYS 35 15.666 2.491 5.775 278 H ASP 36 H ASP 36 10.937 -0.091 0.921 279 HA ASP 36 HA ASP 36 12.834 0.407 -1.083 280 HB2 ASP 36 2HB ASP 36 11.620 -1.742 -0.766 281 HB3 ASP 36 1HB ASP 36 10.153 -0.979 -1.366 282 H LEU 37 H LEU 37 9.527 1.548 -0.675 283 HA LEU 37 HA LEU 37 9.185 2.864 -3.133 284 HB2 LEU 37 2HB LEU 37 7.539 2.404 -1.146 285 HB3 LEU 37 1HB LEU 37 8.085 3.960 -0.555 286 HG LEU 37 HG LEU 37 6.803 3.541 -3.269 287 HD11 LEU 37 1HD1 LEU 37 5.209 2.990 -1.522 288 HD12 LEU 37 2HD1 LEU 37 4.783 4.525 -2.277 289 HD13 LEU 37 3HD1 LEU 37 5.559 4.508 -0.692 290 HD21 LEU 37 3HD2 LEU 37 7.378 6.058 -1.699 291 HD22 LEU 37 1HD2 LEU 37 6.496 5.977 -3.225 292 HD23 LEU 37 2HD2 LEU 37 8.199 5.534 -3.168 293 H LYS 38 H LYS 38 10.709 3.947 -0.107 294 HA LYS 38 HA LYS 38 11.183 6.623 -0.743 295 HB2 LYS 38 2HB LYS 38 12.932 4.740 0.857 296 HB3 LYS 38 1HB LYS 38 13.104 6.489 0.832 297 HG2 LYS 38 2HG LYS 38 10.866 6.715 1.816 298 HG3 LYS 38 1HG LYS 38 10.715 4.955 1.857 299 HD2 LYS 38 2HD LYS 38 12.651 4.818 3.346 300 HD3 LYS 38 1HD LYS 38 12.840 6.570 3.282 301 HE2 LYS 38 2HE LYS 38 10.560 6.785 4.274 302 HE3 LYS 38 1HE LYS 38 10.523 5.030 4.456 303 HZ1 LYS 38 3HZ LYS 38 12.537 6.833 5.682 304 HZ2 LYS 38 1HZ LYS 38 12.438 5.159 5.896 305 HZ3 LYS 38 2HZ LYS 38 11.214 6.161 6.490 306 H SER 39 H SER 39 13.169 3.752 -1.486 307 HA SER 39 HA SER 39 15.272 5.239 -2.724 308 HB2 SER 39 2HB SER 39 16.193 3.120 -3.417 309 HB3 SER 39 1HB SER 39 15.559 2.932 -1.782 310 HG SER 39 HG SER 39 13.606 2.087 -2.864 311 H GLN 40 H GLN 40 12.160 4.518 -3.788 312 HA GLN 40 HA GLN 40 12.796 4.639 -6.631 313 HB2 GLN 40 2HB GLN 40 10.131 4.676 -5.190 314 HB3 GLN 40 1HB GLN 40 10.333 4.600 -6.935 315 HG2 GLN 40 2HG GLN 40 11.387 2.431 -6.759 316 HG3 GLN 40 1HG GLN 40 11.326 2.515 -4.999 317 HE21 GLN 40 1HE2 GLN 40 8.667 3.699 -4.963 318 HE22 GLN 40 2HE2 GLN 40 7.578 2.424 -5.354 319 H LEU 41 H LEU 41 11.323 6.684 -4.133 320 HA LEU 41 HA LEU 41 10.886 8.899 -5.921 321 HB2 LEU 41 2HB LEU 41 10.668 8.606 -2.929 322 HB3 LEU 41 1HB LEU 41 10.383 10.129 -3.748 323 HG LEU 41 HG LEU 41 8.806 7.587 -4.200 324 HD11 LEU 41 1HD1 LEU 41 8.377 8.559 -2.000 325 HD12 LEU 41 2HD1 LEU 41 6.987 8.765 -3.063 326 HD13 LEU 41 3HD1 LEU 41 8.062 10.128 -2.742 327 HD21 LEU 41 3HD2 LEU 41 8.921 8.974 -6.209 328 HD22 LEU 41 1HD2 LEU 41 8.400 10.382 -5.283 329 HD23 LEU 41 2HD2 LEU 41 7.302 9.018 -5.511 330 H GLN 42 H GLN 42 13.396 8.004 -3.612 331 HA GLN 42 HA GLN 42 14.563 10.433 -3.059 332 HB2 GLN 42 2HB GLN 42 15.257 8.400 -1.935 333 HB3 GLN 42 1HB GLN 42 15.943 7.767 -3.426 334 HG2 GLN 42 2HG GLN 42 17.601 9.570 -3.433 335 HG3 GLN 42 1HG GLN 42 16.910 10.210 -1.943 336 HE21 GLN 42 1HE2 GLN 42 18.828 9.963 -0.823 337 HE22 GLN 42 2HE2 GLN 42 19.434 8.421 -0.346 338 HA PRO 43 HA PRO 43 17.494 10.092 -6.963 339 HB2 PRO 43 2HB PRO 43 16.434 8.703 -9.089 340 HB3 PRO 43 1HB PRO 43 17.577 8.020 -7.928 341 HG2 PRO 43 2HG PRO 43 14.588 7.789 -7.999 342 HG3 PRO 43 1HG PRO 43 15.801 6.529 -7.691 343 HD2 PRO 43 2HD PRO 43 14.451 7.673 -5.679 344 HD3 PRO 43 1HD PRO 43 16.166 7.243 -5.503 345 H ILE 44 H ILE 44 14.065 10.458 -6.915 346 HA ILE 44 HA ILE 44 14.091 12.342 -9.176 347 HB ILE 44 HB ILE 44 11.731 11.273 -7.607 348 HG12 ILE 44 2HG1 ILE 44 12.738 10.484 -10.363 349 HG13 ILE 44 1HG1 ILE 44 12.909 9.513 -8.903 350 HG21 ILE 44 1HG2 ILE 44 11.250 13.440 -8.594 351 HG22 ILE 44 2HG2 ILE 44 10.375 12.179 -9.457 352 HG23 ILE 44 3HG2 ILE 44 11.829 12.882 -10.163 353 HD11 ILE 44 3HD1 ILE 44 10.470 9.334 -8.751 354 HD12 ILE 44 1HD1 ILE 44 11.090 8.699 -10.274 355 HD13 ILE 44 2HD1 ILE 44 10.317 10.283 -10.230 356 H THR 45 H THR 45 13.200 12.176 -5.737 357 HA THR 45 HA THR 45 12.513 14.989 -5.602 358 HB THR 45 HB THR 45 12.008 14.570 -3.250 359 HG1 THR 45 HG1 THR 45 12.296 12.199 -2.626 360 HG21 THR 45 3HG2 THR 45 11.016 12.296 -4.990 361 HG22 THR 45 1HG2 THR 45 10.302 13.907 -4.897 362 HG23 THR 45 2HG2 THR 45 10.273 12.847 -3.488 363 H ASN 46 H ASN 46 15.294 13.031 -5.033 364 HA ASN 46 HA ASN 46 17.398 13.421 -4.292 365 HB2 ASN 46 2HB ASN 46 16.543 16.302 -4.626 366 HB3 ASN 46 1HB ASN 46 18.174 15.838 -4.143 367 HD21 ASN 46 1HD2 ASN 46 15.863 15.888 -6.739 368 HD22 ASN 46 2HD2 ASN 46 16.968 15.436 -7.987 369 H VAL 47 H VAL 47 15.037 13.248 -2.418 370 HA VAL 47 HA VAL 47 16.146 14.589 -0.043 371 HB VAL 47 HB VAL 47 13.532 13.082 -0.271 372 HG11 VAL 47 1HG1 VAL 47 14.336 13.286 2.013 373 HG12 VAL 47 2HG1 VAL 47 12.930 14.323 1.768 374 HG13 VAL 47 3HG1 VAL 47 14.547 15.026 1.805 375 HG21 VAL 47 3HG2 VAL 47 12.441 15.267 -0.475 376 HG22 VAL 47 1HG2 VAL 47 13.530 14.959 -1.826 377 HG23 VAL 47 2HG2 VAL 47 14.019 16.054 -0.531 378 H LEU 48 H LEU 48 16.800 13.457 1.789 379 HA LEU 48 HA LEU 48 17.863 10.848 1.391 380 HB2 LEU 48 2HB LEU 48 17.523 12.441 3.938 381 HB3 LEU 48 1HB LEU 48 18.507 10.995 3.776 382 HG LEU 48 HG LEU 48 18.983 13.599 2.308 383 HD11 LEU 48 1HD1 LEU 48 20.446 12.382 4.650 384 HD12 LEU 48 2HD1 LEU 48 19.436 13.826 4.684 385 HD13 LEU 48 3HD1 LEU 48 20.938 13.824 3.762 386 HD21 LEU 48 3HD2 LEU 48 20.615 11.057 2.408 387 HD22 LEU 48 1HD2 LEU 48 21.119 12.569 1.653 388 HD23 LEU 48 2HD2 LEU 48 19.736 11.683 1.012 389 HA PRO 49 HA PRO 49 14.420 8.254 2.307 390 HB2 PRO 49 2HB PRO 49 15.728 6.071 3.362 391 HB3 PRO 49 1HB PRO 49 15.634 6.437 1.636 392 HG2 PRO 49 2HG PRO 49 17.846 7.022 3.576 393 HG3 PRO 49 1HG PRO 49 17.947 6.390 1.920 394 HD2 PRO 49 2HD PRO 49 18.447 8.968 2.455 395 HD3 PRO 49 1HD PRO 49 17.609 8.483 0.966 396 H ARG 50 H ARG 50 16.780 8.734 4.919 397 HA ARG 50 HA ARG 50 15.088 7.832 7.016 398 HB2 ARG 50 2HB ARG 50 17.581 8.048 7.181 399 HB3 ARG 50 1HB ARG 50 17.386 9.796 7.218 400 HG2 ARG 50 2HG ARG 50 16.141 9.644 9.301 401 HG3 ARG 50 1HG ARG 50 16.230 7.883 9.249 402 HD2 ARG 50 2HD ARG 50 18.564 9.787 9.502 403 HD3 ARG 50 1HD ARG 50 17.885 8.798 10.794 404 HE ARG 50 HE ARG 50 18.995 7.502 8.404 405 HH11 ARG 50 1HH1 ARG 50 19.092 8.077 11.793 406 HH12 ARG 50 2HH1 ARG 50 20.301 6.877 12.077 407 HH21 ARG 50 1HH2 ARG 50 20.549 5.961 8.768 408 HH22 ARG 50 2HH2 ARG 50 21.120 5.685 10.379 409 H GLY 51 H GLY 51 15.267 10.802 5.242 410 HA2 GLY 51 2HA GLY 51 13.719 12.310 7.205 411 HA3 GLY 51 1HA GLY 51 14.314 12.902 5.663 412 H GLN 52 H GLN 52 13.208 10.738 4.080 413 HA GLN 52 HA GLN 52 10.664 11.833 3.523 414 HB2 GLN 52 2HB GLN 52 11.880 9.209 2.617 415 HB3 GLN 52 1HB GLN 52 10.416 9.920 1.946 416 HG2 GLN 52 2HG GLN 52 11.730 11.890 1.245 417 HG3 GLN 52 1HG GLN 52 13.189 11.102 1.847 418 HE21 GLN 52 1HE2 GLN 52 14.032 9.340 0.710 419 HE22 GLN 52 2HE2 GLN 52 13.542 8.971 -0.901 420 H LYS 53 H LYS 53 9.138 11.721 5.109 421 HA LYS 53 HA LYS 53 8.549 9.163 6.418 422 HB2 LYS 53 2HB LYS 53 7.316 11.901 6.820 423 HB3 LYS 53 1HB LYS 53 6.982 10.478 7.797 424 HG2 LYS 53 2HG LYS 53 9.250 10.461 8.621 425 HG3 LYS 53 1HG LYS 53 9.680 11.807 7.560 426 HD2 LYS 53 2HD LYS 53 8.036 13.227 8.728 427 HD3 LYS 53 1HD LYS 53 7.652 11.882 9.805 428 HE2 LYS 53 2HE LYS 53 9.928 11.898 10.667 429 HE3 LYS 53 1HE LYS 53 10.369 13.177 9.535 430 HZ1 LYS 53 3HZ LYS 53 8.776 14.632 10.627 431 HZ2 LYS 53 1HZ LYS 53 9.926 14.066 11.728 432 HZ3 LYS 53 2HZ LYS 53 8.368 13.409 11.718 433 H LEU 54 H LEU 54 7.116 7.798 5.496 434 HA LEU 54 HA LEU 54 4.959 8.863 3.812 435 HB2 LEU 54 2HB LEU 54 5.929 6.037 4.288 436 HB3 LEU 54 1HB LEU 54 4.536 6.434 3.299 437 HG LEU 54 HG LEU 54 7.376 7.326 2.744 438 HD11 LEU 54 1HD1 LEU 54 7.331 5.754 0.896 439 HD12 LEU 54 2HD1 LEU 54 5.701 5.245 1.337 440 HD13 LEU 54 3HD1 LEU 54 7.054 4.910 2.420 441 HD21 LEU 54 3HD2 LEU 54 5.734 8.938 1.932 442 HD22 LEU 54 1HD2 LEU 54 4.853 7.649 1.110 443 HD23 LEU 54 2HD2 LEU 54 6.481 8.079 0.586 444 H ILE 55 H ILE 55 3.119 9.376 4.808 445 HA ILE 55 HA ILE 55 2.251 7.787 7.151 446 HB ILE 55 HB ILE 55 1.737 10.725 6.621 447 HG12 ILE 55 2HG1 ILE 55 3.541 9.400 8.675 448 HG13 ILE 55 1HG1 ILE 55 4.094 10.225 7.222 449 HG21 ILE 55 1HG2 ILE 55 0.814 10.759 8.906 450 HG22 ILE 55 2HG2 ILE 55 1.029 9.012 9.010 451 HG23 ILE 55 3HG2 ILE 55 -0.104 9.691 7.840 452 HD11 ILE 55 3HD1 ILE 55 2.660 11.476 9.554 453 HD12 ILE 55 1HD1 ILE 55 3.141 12.320 8.081 454 HD13 ILE 55 2HD1 ILE 55 4.370 11.639 9.147 455 H PHE 56 H PHE 56 0.294 6.849 7.050 456 HA PHE 56 HA PHE 56 -1.721 7.810 5.137 457 HB2 PHE 56 2HB PHE 56 -0.429 6.070 3.959 458 HB3 PHE 56 1HB PHE 56 -0.740 4.942 5.272 459 HD1 PHE 56 HD1 PHE 56 -2.739 7.207 3.056 460 HD2 PHE 56 HD2 PHE 56 -2.343 3.353 4.833 461 HE1 PHE 56 HE1 PHE 56 -4.780 6.465 1.903 462 HE2 PHE 56 HE2 PHE 56 -4.388 2.614 3.685 463 HZ PHE 56 HZ PHE 56 -5.606 4.167 2.218 464 H LYS 57 H LYS 57 -3.849 7.452 5.778 465 HA LYS 57 HA LYS 57 -5.571 7.211 7.252 466 HB2 LYS 57 2HB LYS 57 -3.952 4.806 8.121 467 HB3 LYS 57 1HB LYS 57 -5.581 5.142 8.682 468 HG2 LYS 57 2HG LYS 57 -4.794 4.657 5.811 469 HG3 LYS 57 1HG LYS 57 -5.520 3.464 6.888 470 HD2 LYS 57 2HD LYS 57 -7.500 4.940 7.123 471 HD3 LYS 57 1HD LYS 57 -6.776 6.057 5.964 472 HE2 LYS 57 2HE LYS 57 -8.400 4.642 4.848 473 HE3 LYS 57 1HE LYS 57 -6.779 4.265 4.269 474 HZ1 LYS 57 3HZ LYS 57 -6.743 2.332 5.719 475 HZ2 LYS 57 1HZ LYS 57 -8.076 2.264 4.684 476 HZ3 LYS 57 2HZ LYS 57 -8.285 2.703 6.300 477 H GLY 58 H GLY 58 -3.184 8.820 8.022 478 HA2 GLY 58 2HA GLY 58 -2.636 10.145 9.844 479 HA3 GLY 58 1HA GLY 58 -3.837 9.283 10.792 480 H LYS 59 H LYS 59 -1.950 6.986 9.413 481 HA LYS 59 HA LYS 59 -0.350 6.668 11.860 482 HB2 LYS 59 2HB LYS 59 -1.847 4.838 11.527 483 HB3 LYS 59 1HB LYS 59 -1.424 4.709 9.826 484 HG2 LYS 59 2HG LYS 59 0.851 3.972 10.490 485 HG3 LYS 59 1HG LYS 59 0.335 4.011 12.177 486 HD2 LYS 59 2HD LYS 59 -1.296 2.285 11.787 487 HD3 LYS 59 1HD LYS 59 -1.017 2.350 10.045 488 HE2 LYS 59 2HE LYS 59 1.292 1.565 10.406 489 HE3 LYS 59 1HE LYS 59 0.976 1.465 12.138 490 HZ1 LYS 59 3HZ LYS 59 0.782 -0.678 10.959 491 HZ2 LYS 59 1HZ LYS 59 -0.522 -0.062 10.077 492 HZ3 LYS 59 2HZ LYS 59 -0.641 -0.237 11.755 493 H VAL 60 H VAL 60 1.800 6.978 11.733 494 HA VAL 60 HA VAL 60 3.199 7.118 9.220 495 HB VAL 60 HB VAL 60 3.975 8.516 11.037 496 HG11 VAL 60 1HG1 VAL 60 4.559 5.974 12.564 497 HG12 VAL 60 2HG1 VAL 60 3.288 7.140 12.932 498 HG13 VAL 60 3HG1 VAL 60 4.982 7.607 13.077 499 HG21 VAL 60 3HG2 VAL 60 5.667 7.803 9.450 500 HG22 VAL 60 1HG2 VAL 60 5.980 6.345 10.395 501 HG23 VAL 60 2HG2 VAL 60 6.376 7.931 11.063 502 H LEU 61 H LEU 61 3.977 5.426 8.093 503 HA LEU 61 HA LEU 61 3.528 2.780 9.137 504 HB2 LEU 61 2HB LEU 61 4.556 3.702 6.455 505 HB3 LEU 61 1HB LEU 61 4.244 2.027 6.864 506 HG LEU 61 HG LEU 61 2.368 2.736 5.625 507 HD11 LEU 61 1HD1 LEU 61 0.504 2.605 7.198 508 HD12 LEU 61 2HD1 LEU 61 1.606 2.923 8.539 509 HD13 LEU 61 3HD1 LEU 61 1.767 1.441 7.596 510 HD21 LEU 61 3HD2 LEU 61 1.075 4.748 6.086 511 HD22 LEU 61 1HD2 LEU 61 2.755 5.147 5.728 512 HD23 LEU 61 2HD2 LEU 61 2.179 5.174 7.394 513 H VAL 62 H VAL 62 5.034 1.028 9.025 514 HA VAL 62 HA VAL 62 7.710 1.769 9.941 515 HB VAL 62 HB VAL 62 6.386 -0.957 9.838 516 HG11 VAL 62 1HG1 VAL 62 8.876 -0.037 11.282 517 HG12 VAL 62 2HG1 VAL 62 8.813 -1.118 9.889 518 HG13 VAL 62 3HG1 VAL 62 8.133 -1.630 11.434 519 HG21 VAL 62 3HG2 VAL 62 6.003 -0.669 12.250 520 HG22 VAL 62 1HG2 VAL 62 5.149 0.548 11.301 521 HG23 VAL 62 2HG2 VAL 62 6.635 0.975 12.151 522 H GLU 63 H GLU 63 9.584 1.292 8.850 523 HA GLU 63 HA GLU 63 9.529 1.208 6.067 524 HB2 GLU 63 2HB GLU 63 11.801 0.528 7.941 525 HB3 GLU 63 1HB GLU 63 11.986 0.760 6.210 526 HG2 GLU 63 2HG GLU 63 10.996 3.078 6.567 527 HG3 GLU 63 1HG GLU 63 11.235 2.793 8.292 528 H THR 64 H THR 64 9.619 -1.471 8.309 529 HA THR 64 HA THR 64 10.505 -3.404 6.359 530 HB THR 64 HB THR 64 9.968 -5.084 8.144 531 HG1 THR 64 HG1 THR 64 8.877 -4.479 9.861 532 HG21 THR 64 3HG2 THR 64 11.707 -2.743 8.965 533 HG22 THR 64 1HG2 THR 64 12.205 -4.117 7.975 534 HG23 THR 64 2HG2 THR 64 11.770 -4.361 9.668 535 H SER 65 H SER 65 7.438 -2.068 7.155 536 HA SER 65 HA SER 65 5.929 -4.423 6.331 537 HB2 SER 65 2HB SER 65 3.924 -3.066 6.751 538 HB3 SER 65 1HB SER 65 5.021 -3.004 8.127 539 HG SER 65 HG SER 65 5.630 -0.996 6.468 540 H THR 66 H THR 66 4.908 -4.738 4.389 541 HA THR 66 HA THR 66 5.768 -3.170 2.143 542 HB THR 66 HB THR 66 4.523 -4.676 0.733 543 HG1 THR 66 HG1 THR 66 3.180 -6.314 1.740 544 HG21 THR 66 3HG2 THR 66 5.446 -6.842 1.398 545 HG22 THR 66 1HG2 THR 66 5.754 -6.224 3.021 546 HG23 THR 66 2HG2 THR 66 6.627 -5.555 1.640 547 H LEU 67 H LEU 67 4.207 -2.286 0.503 548 HA LEU 67 HA LEU 67 2.594 -0.297 1.559 549 HB2 LEU 67 2HB LEU 67 2.638 -1.605 -1.146 550 HB3 LEU 67 1HB LEU 67 1.440 -0.382 -0.777 551 HG LEU 67 HG LEU 67 3.277 0.645 -1.945 552 HD11 LEU 67 1HD1 LEU 67 2.202 1.982 -0.212 553 HD12 LEU 67 2HD1 LEU 67 3.911 2.387 -0.352 554 HD13 LEU 67 3HD1 LEU 67 3.353 1.379 0.984 555 HD21 LEU 67 3HD2 LEU 67 5.024 -0.990 -1.402 556 HD22 LEU 67 1HD2 LEU 67 5.084 -0.371 0.249 557 HD23 LEU 67 2HD2 LEU 67 5.554 0.664 -1.101 558 H LYS 68 H LYS 68 1.560 -3.506 0.392 559 HA LYS 68 HA LYS 68 -1.195 -3.114 0.935 560 HB2 LYS 68 2HB LYS 68 -0.187 -4.895 -0.557 561 HB3 LYS 68 1HB LYS 68 0.248 -5.775 0.903 562 HG2 LYS 68 2HG LYS 68 -2.084 -5.985 1.518 563 HG3 LYS 68 1HG LYS 68 -2.565 -4.995 0.139 564 HD2 LYS 68 2HD LYS 68 -1.547 -6.729 -1.358 565 HD3 LYS 68 1HD LYS 68 -1.296 -7.737 0.070 566 HE2 LYS 68 2HE LYS 68 -3.341 -8.380 -1.096 567 HE3 LYS 68 1HE LYS 68 -3.713 -7.726 0.497 568 HZ1 LYS 68 3HZ LYS 68 -5.198 -6.890 -1.250 569 HZ2 LYS 68 1HZ LYS 68 -3.877 -6.189 -2.037 570 HZ3 LYS 68 2HZ LYS 68 -4.334 -5.645 -0.504 571 H GLN 69 H GLN 69 1.437 -4.529 2.875 572 HA GLN 69 HA GLN 69 -0.114 -5.181 5.158 573 HB2 GLN 69 2HB GLN 69 2.818 -4.514 4.846 574 HB3 GLN 69 1HB GLN 69 2.111 -5.057 6.361 575 HG2 GLN 69 2HG GLN 69 1.602 -7.189 5.480 576 HG3 GLN 69 1HG GLN 69 1.900 -6.663 3.826 577 HE21 GLN 69 1HE2 GLN 69 3.383 -8.324 3.502 578 HE22 GLN 69 2HE2 GLN 69 4.962 -8.294 4.193 579 H SER 70 H SER 70 1.093 -2.181 3.946 580 HA SER 70 HA SER 70 0.688 -0.707 6.423 581 HB2 SER 70 2HB SER 70 1.366 0.252 3.624 582 HB3 SER 70 1HB SER 70 1.323 1.273 5.060 583 HG SER 70 HG SER 70 3.062 -0.913 4.550 584 H ASP 71 H ASP 71 -1.442 -2.076 4.517 585 HA ASP 71 HA ASP 71 -3.667 -1.846 4.177 586 HB2 ASP 71 2HB ASP 71 -3.519 -0.827 6.514 587 HB3 ASP 71 1HB ASP 71 -3.575 0.748 5.727 588 H VAL 72 H VAL 72 -1.509 -0.336 2.566 589 HA VAL 72 HA VAL 72 -2.987 1.840 1.346 590 HB VAL 72 HB VAL 72 -0.352 0.598 0.512 591 HG11 VAL 72 1HG1 VAL 72 0.009 2.693 -0.723 592 HG12 VAL 72 2HG1 VAL 72 -1.617 3.223 -0.285 593 HG13 VAL 72 3HG1 VAL 72 -1.397 1.810 -1.319 594 HG21 VAL 72 3HG2 VAL 72 -0.899 3.024 2.231 595 HG22 VAL 72 1HG2 VAL 72 0.685 2.546 1.624 596 HG23 VAL 72 2HG2 VAL 72 -0.177 1.503 2.754 597 H GLY 73 H GLY 73 -4.462 1.535 -0.192 598 HA2 GLY 73 2HA GLY 73 -4.366 -0.914 -1.843 599 HA3 GLY 73 1HA GLY 73 -5.805 0.043 -1.526 600 H SER 74 H SER 74 -5.579 -0.506 -4.055 601 HA SER 74 HA SER 74 -3.840 1.210 -5.552 602 HB2 SER 74 2HB SER 74 -4.699 -0.957 -6.449 603 HB3 SER 74 1HB SER 74 -6.307 -0.242 -6.550 604 HG SER 74 HG SER 74 -5.585 0.221 -8.497 605 H GLY 75 H GLY 75 -4.150 3.314 -5.040 606 HA2 GLY 75 2HA GLY 75 -5.331 5.255 -6.076 607 HA3 GLY 75 1HA GLY 75 -6.821 4.489 -5.547 608 H ALA 76 H ALA 76 -4.195 4.178 -3.386 609 HA ALA 76 HA ALA 76 -5.497 5.945 -1.471 610 HB1 ALA 76 3HB ALA 76 -4.790 3.675 -0.804 611 HB2 ALA 76 1HB ALA 76 -4.033 4.931 0.176 612 HB3 ALA 76 2HB ALA 76 -3.111 4.130 -1.095 613 H LYS 77 H LYS 77 -4.624 7.805 -0.611 614 HA LYS 77 HA LYS 77 -2.259 8.895 -1.968 615 HB2 LYS 77 2HB LYS 77 -4.388 10.232 -0.286 616 HB3 LYS 77 1HB LYS 77 -2.977 11.069 -0.921 617 HG2 LYS 77 2HG LYS 77 -3.712 10.431 -3.219 618 HG3 LYS 77 1HG LYS 77 -5.187 9.772 -2.514 619 HD2 LYS 77 2HD LYS 77 -5.822 11.950 -1.681 620 HD3 LYS 77 1HD LYS 77 -4.282 12.640 -2.196 621 HE2 LYS 77 2HE LYS 77 -6.015 13.249 -3.772 622 HE3 LYS 77 1HE LYS 77 -4.880 12.144 -4.544 623 HZ1 LYS 77 3HZ LYS 77 -6.444 10.344 -4.205 624 HZ2 LYS 77 1HZ LYS 77 -7.180 11.599 -5.063 625 HZ3 LYS 77 2HZ LYS 77 -7.526 11.384 -3.425 626 H LEU 78 H LEU 78 -0.343 8.945 -1.016 627 HA LEU 78 HA LEU 78 -0.146 8.442 1.883 628 HB2 LEU 78 2HB LEU 78 2.000 8.240 -0.241 629 HB3 LEU 78 1HB LEU 78 2.163 7.775 1.442 630 HG LEU 78 HG LEU 78 0.387 6.436 -0.610 631 HD11 LEU 78 1HD1 LEU 78 1.897 4.528 -0.312 632 HD12 LEU 78 2HD1 LEU 78 2.904 5.494 0.768 633 HD13 LEU 78 3HD1 LEU 78 2.750 5.942 -0.932 634 HD21 LEU 78 3HD2 LEU 78 -0.099 4.799 1.126 635 HD22 LEU 78 1HD2 LEU 78 -0.635 6.406 1.615 636 HD23 LEU 78 2HD2 LEU 78 0.848 5.728 2.288 637 H MET 79 H MET 79 0.355 10.109 3.192 638 HA MET 79 HA MET 79 1.228 12.641 2.140 639 HB2 MET 79 2HB MET 79 -0.273 12.564 4.063 640 HB3 MET 79 1HB MET 79 0.930 11.684 4.999 641 HG2 MET 79 2HG MET 79 2.420 13.631 4.895 642 HG3 MET 79 1HG MET 79 1.203 14.510 3.974 643 HE1 MET 79 3HE MET 79 -1.700 14.847 6.597 644 HE2 MET 79 1HE MET 79 -1.499 13.536 5.434 645 HE3 MET 79 2HE MET 79 -1.174 15.201 4.952 646 H LEU 80 H LEU 80 3.282 12.990 1.529 647 HA LEU 80 HA LEU 80 5.458 11.580 2.917 648 HB2 LEU 80 2HB LEU 80 5.378 11.355 0.480 649 HB3 LEU 80 1HB LEU 80 5.452 13.097 0.302 650 HG LEU 80 HG LEU 80 7.724 13.107 1.262 651 HD11 LEU 80 1HD1 LEU 80 8.921 10.985 1.594 652 HD12 LEU 80 2HD1 LEU 80 7.418 10.105 1.320 653 HD13 LEU 80 3HD1 LEU 80 7.574 11.173 2.713 654 HD21 LEU 80 3HD2 LEU 80 7.436 12.938 -1.165 655 HD22 LEU 80 1HD2 LEU 80 7.413 11.177 -1.047 656 HD23 LEU 80 2HD2 LEU 80 8.876 12.074 -0.628 657 H MET 81 H MET 81 5.997 12.749 4.716 658 HA MET 81 HA MET 81 6.220 15.627 4.659 659 HB2 MET 81 2HB MET 81 5.616 14.434 6.746 660 HB3 MET 81 1HB MET 81 7.202 13.676 6.762 661 HG2 MET 81 2HG MET 81 8.225 15.937 6.917 662 HG3 MET 81 1HG MET 81 6.604 16.615 7.046 663 HE1 MET 81 3HE MET 81 8.899 17.189 9.179 664 HE2 MET 81 1HE MET 81 7.986 17.035 10.679 665 HE3 MET 81 2HE MET 81 7.266 17.844 9.288 666 H ALA 82 H ALA 82 7.692 16.063 3.007 667 HA ALA 82 HA ALA 82 10.502 15.765 3.774 668 HB1 ALA 82 3HB ALA 82 9.472 14.942 1.055 669 HB2 ALA 82 1HB ALA 82 10.063 13.852 2.308 670 HB3 ALA 82 2HB ALA 82 11.163 14.998 1.546 671 H SER 83 H SER 83 11.313 17.759 3.769 672 HA SER 83 HA SER 83 10.097 19.926 2.323 673 HB2 SER 83 2HB SER 83 12.673 19.846 3.928 674 HB3 SER 83 1HB SER 83 11.891 21.309 3.327 675 HG SER 83 HG SER 83 11.029 21.196 5.279 676 H GLN 84 H GLN 84 10.641 20.729 0.372 677 HA GLN 84 HA GLN 84 12.599 19.415 -1.254 678 HB2 GLN 84 2HB GLN 84 11.043 21.957 -1.794 679 HB3 GLN 84 1HB GLN 84 11.962 21.045 -2.986 680 HG2 GLN 84 2HG GLN 84 10.460 19.134 -2.681 681 HG3 GLN 84 1HG GLN 84 9.542 20.051 -1.487 682 HE21 GLN 84 1HE2 GLN 84 8.281 21.801 -2.186 683 HE22 GLN 84 2HE2 GLN 84 7.812 21.973 -3.839 684 H GLY 85 H GLY 85 14.620 19.721 -0.307 685 HA2 GLY 85 2HA GLY 85 15.626 22.325 0.393 686 HA3 GLY 85 1HA GLY 85 16.548 20.831 0.335 Start of MODEL 11 1 H1 MET 1 1H MET 1 -13.278 0.242 -37.443 2 H2 MET 1 2H MET 1 -14.416 0.911 -38.499 3 H3 MET 1 3H MET 1 -14.644 1.028 -36.829 4 HA MET 1 HA MET 1 -12.424 2.270 -38.350 5 HB2 MET 1 2HB MET 1 -13.598 4.429 -37.784 6 HB3 MET 1 1HB MET 1 -14.423 3.414 -38.956 7 HG2 MET 1 2HG MET 1 -16.012 4.362 -37.408 8 HG3 MET 1 1HG MET 1 -15.931 2.614 -37.202 9 HE1 MET 1 3HE MET 1 -14.094 5.683 -34.283 10 HE2 MET 1 1HE MET 1 -15.029 6.116 -35.715 11 HE3 MET 1 2HE MET 1 -13.427 5.395 -35.892 12 H GLY 2 H GLY 2 -13.093 0.844 -35.479 13 HA2 GLY 2 2HA GLY 2 -11.319 2.678 -34.001 14 HA3 GLY 2 1HA GLY 2 -12.854 2.211 -33.292 15 H HIS 3 H HIS 3 -10.886 1.688 -31.728 16 HA HIS 3 HA HIS 3 -10.577 -1.221 -31.832 17 HB2 HIS 3 2HB HIS 3 -8.155 -0.863 -30.975 18 HB3 HIS 3 1HB HIS 3 -8.473 -0.686 -32.697 19 HD1 HIS 3 HD1 HIS 3 -8.331 1.631 -29.660 20 HD2 HIS 3 HD2 HIS 3 -7.390 1.566 -33.708 21 HE1 HIS 3 HE1 HIS 3 -7.236 3.835 -30.134 22 HE2 HIS 3 HE2 HIS 3 -6.498 3.686 -32.532 23 H HIS 4 H HIS 4 -11.668 -1.813 -30.069 24 HA HIS 4 HA HIS 4 -12.148 -0.227 -27.812 25 HB2 HIS 4 2HB HIS 4 -13.443 -2.276 -28.587 26 HB3 HIS 4 1HB HIS 4 -12.192 -3.254 -27.827 27 HD1 HIS 4 HD1 HIS 4 -15.169 -1.192 -27.097 28 HD2 HIS 4 HD2 HIS 4 -12.167 -3.120 -24.967 29 HE1 HIS 4 HE1 HIS 4 -15.967 -1.255 -24.718 30 HE2 HIS 4 HE2 HIS 4 -14.122 -2.383 -23.435 31 H HIS 5 H HIS 5 -11.056 0.161 -25.981 32 HA HIS 5 HA HIS 5 -8.313 -0.586 -25.777 33 HB2 HIS 5 2HB HIS 5 -9.189 1.608 -25.054 34 HB3 HIS 5 1HB HIS 5 -10.091 0.821 -23.766 35 HD1 HIS 5 HD1 HIS 5 -8.952 0.830 -21.576 36 HD2 HIS 5 HD2 HIS 5 -6.249 1.147 -24.714 37 HE1 HIS 5 HE1 HIS 5 -6.701 1.121 -20.498 38 HE2 HIS 5 HE2 HIS 5 -5.115 1.500 -22.416 39 H HIS 6 H HIS 6 -7.725 -2.597 -25.210 40 HA HIS 6 HA HIS 6 -9.289 -4.164 -23.327 41 HB2 HIS 6 2HB HIS 6 -7.452 -5.901 -23.760 42 HB3 HIS 6 1HB HIS 6 -8.474 -5.454 -25.120 43 HD1 HIS 6 HD1 HIS 6 -7.354 -4.279 -27.107 44 HD2 HIS 6 HD2 HIS 6 -4.748 -5.069 -23.963 45 HE1 HIS 6 HE1 HIS 6 -5.056 -3.876 -28.019 46 HE2 HIS 6 HE2 HIS 6 -3.506 -4.251 -26.079 47 H HIS 7 H HIS 7 -9.099 -3.648 -21.229 48 HA HIS 7 HA HIS 7 -6.688 -2.425 -20.214 49 HB2 HIS 7 2HB HIS 7 -7.959 -2.280 -18.056 50 HB3 HIS 7 1HB HIS 7 -8.746 -1.510 -19.425 51 HD1 HIS 7 HD1 HIS 7 -11.059 -2.321 -20.050 52 HD2 HIS 7 HD2 HIS 7 -9.242 -4.693 -17.158 53 HE1 HIS 7 HE1 HIS 7 -12.854 -3.860 -19.213 54 HE2 HIS 7 HE2 HIS 7 -11.710 -5.357 -17.554 55 H HIS 8 H HIS 8 -4.971 -3.697 -19.845 56 HA HIS 8 HA HIS 8 -5.301 -5.840 -17.858 57 HB2 HIS 8 2HB HIS 8 -3.623 -6.030 -20.374 58 HB3 HIS 8 1HB HIS 8 -3.521 -7.166 -19.031 59 HD1 HIS 8 HD1 HIS 8 -4.907 -7.016 -22.222 60 HD2 HIS 8 HD2 HIS 8 -6.419 -8.183 -18.535 61 HE1 HIS 8 HE1 HIS 8 -6.867 -8.493 -22.740 62 HE2 HIS 8 HE2 HIS 8 -7.679 -9.300 -20.502 63 H SER 9 H SER 9 -3.571 -6.070 -16.397 64 HA SER 9 HA SER 9 -1.327 -4.197 -16.597 65 HB2 SER 9 2HB SER 9 -3.039 -2.905 -15.412 66 HB3 SER 9 1HB SER 9 -3.258 -4.214 -14.253 67 HG SER 9 HG SER 9 -1.855 -2.990 -13.205 68 H HIS 10 H HIS 10 -0.067 -4.456 -14.307 69 HA HIS 10 HA HIS 10 0.413 -7.357 -14.003 70 HB2 HIS 10 2HB HIS 10 2.270 -5.061 -13.307 71 HB3 HIS 10 1HB HIS 10 2.679 -6.774 -13.351 72 HD1 HIS 10 HD1 HIS 10 2.415 -3.772 -15.482 73 HD2 HIS 10 HD2 HIS 10 2.852 -7.869 -16.010 74 HE1 HIS 10 HE1 HIS 10 3.128 -4.069 -17.865 75 HE2 HIS 10 HE2 HIS 10 3.598 -6.521 -18.090 76 H SER 11 H SER 11 1.813 -7.376 -11.609 77 HA SER 11 HA SER 11 -0.276 -7.106 -9.653 78 HB2 SER 11 2HB SER 11 1.362 -8.941 -9.535 79 HB3 SER 11 1HB SER 11 2.666 -7.778 -9.295 80 HG SER 11 HG SER 11 1.706 -7.197 -7.319 81 H THR 12 H THR 12 0.314 -4.564 -10.779 82 HA THR 12 HA THR 12 1.624 -3.120 -8.554 83 HB THR 12 HB THR 12 2.147 -1.318 -10.156 84 HG1 THR 12 HG1 THR 12 0.381 -1.883 -11.648 85 HG21 THR 12 3HG2 THR 12 3.124 -4.028 -11.092 86 HG22 THR 12 1HG2 THR 12 3.818 -3.082 -9.775 87 HG23 THR 12 2HG2 THR 12 3.893 -2.476 -11.429 88 H ILE 13 H ILE 13 0.375 -1.779 -7.418 89 HA ILE 13 HA ILE 13 -2.310 -1.108 -8.386 90 HB ILE 13 HB ILE 13 -2.731 -0.330 -6.074 91 HG12 ILE 13 2HG1 ILE 13 0.088 -1.315 -5.526 92 HG13 ILE 13 1HG1 ILE 13 -0.421 0.369 -5.523 93 HG21 ILE 13 1HG2 ILE 13 -2.676 -2.548 -5.000 94 HG22 ILE 13 2HG2 ILE 13 -1.589 -3.123 -6.266 95 HG23 ILE 13 3HG2 ILE 13 -3.236 -2.635 -6.672 96 HD11 ILE 13 3HD1 ILE 13 -0.214 -0.484 -3.270 97 HD12 ILE 13 1HD1 ILE 13 -1.366 -1.770 -3.628 98 HD13 ILE 13 2HD1 ILE 13 -1.895 -0.087 -3.627 99 H LYS 14 H LYS 14 -3.090 1.021 -8.515 100 HA LYS 14 HA LYS 14 -1.218 3.101 -9.092 101 HB2 LYS 14 2HB LYS 14 -4.217 3.151 -8.675 102 HB3 LYS 14 1HB LYS 14 -3.279 4.553 -9.175 103 HG2 LYS 14 2HG LYS 14 -2.614 3.424 -11.215 104 HG3 LYS 14 1HG LYS 14 -3.453 1.958 -10.705 105 HD2 LYS 14 2HD LYS 14 -5.588 3.081 -10.822 106 HD3 LYS 14 1HD LYS 14 -4.802 4.625 -11.156 107 HE2 LYS 14 2HE LYS 14 -5.738 3.588 -13.190 108 HE3 LYS 14 1HE LYS 14 -3.991 3.794 -13.283 109 HZ1 LYS 14 3HZ LYS 14 -3.697 1.472 -12.775 110 HZ2 LYS 14 1HZ LYS 14 -4.725 1.633 -14.110 111 HZ3 LYS 14 2HZ LYS 14 -5.367 1.252 -12.589 112 H LEU 15 H LEU 15 -0.155 4.321 -7.650 113 HA LEU 15 HA LEU 15 -1.380 4.799 -5.010 114 HB2 LEU 15 2HB LEU 15 0.275 2.989 -4.873 115 HB3 LEU 15 1HB LEU 15 1.497 4.062 -5.523 116 HG LEU 15 HG LEU 15 1.357 5.477 -3.530 117 HD11 LEU 15 1HD1 LEU 15 0.016 4.750 -1.593 118 HD12 LEU 15 2HD1 LEU 15 -0.719 3.493 -2.588 119 HD13 LEU 15 3HD1 LEU 15 -0.982 5.192 -2.976 120 HD21 LEU 15 3HD2 LEU 15 2.931 3.606 -3.541 121 HD22 LEU 15 1HD2 LEU 15 1.689 2.548 -2.870 122 HD23 LEU 15 2HD2 LEU 15 2.307 3.899 -1.918 123 H THR 16 H THR 16 -1.510 6.867 -4.534 124 HA THR 16 HA THR 16 0.132 8.799 -6.037 125 HB THR 16 HB THR 16 -2.432 9.267 -4.488 126 HG1 THR 16 HG1 THR 16 -3.432 9.135 -6.401 127 HG21 THR 16 3HG2 THR 16 -2.426 11.491 -5.540 128 HG22 THR 16 1HG2 THR 16 -0.853 11.147 -6.259 129 HG23 THR 16 2HG2 THR 16 -1.013 11.269 -4.508 130 H VAL 17 H VAL 17 1.966 9.200 -4.949 131 HA VAL 17 HA VAL 17 1.956 9.550 -2.044 132 HB VAL 17 HB VAL 17 4.284 9.700 -3.984 133 HG11 VAL 17 1HG1 VAL 17 5.681 9.409 -1.973 134 HG12 VAL 17 2HG1 VAL 17 4.235 9.485 -0.968 135 HG13 VAL 17 3HG1 VAL 17 4.731 10.893 -1.906 136 HG21 VAL 17 3HG2 VAL 17 3.251 7.482 -4.005 137 HG22 VAL 17 1HG2 VAL 17 3.362 7.400 -2.246 138 HG23 VAL 17 2HG2 VAL 17 4.831 7.427 -3.224 139 H LYS 18 H LYS 18 1.866 11.502 -1.085 140 HA LYS 18 HA LYS 18 1.871 13.883 -2.790 141 HB2 LYS 18 2HB LYS 18 0.915 13.438 0.043 142 HB3 LYS 18 1HB LYS 18 0.900 15.006 -0.754 143 HG2 LYS 18 2HG LYS 18 -0.630 14.134 -2.452 144 HG3 LYS 18 1HG LYS 18 -0.593 12.551 -1.677 145 HD2 LYS 18 2HD LYS 18 -2.611 13.688 -1.014 146 HD3 LYS 18 1HD LYS 18 -1.542 13.576 0.379 147 HE2 LYS 18 2HE LYS 18 -1.694 16.040 -1.357 148 HE3 LYS 18 1HE LYS 18 -2.754 15.789 0.025 149 HZ1 LYS 18 3HZ LYS 18 -0.721 15.571 1.405 150 HZ2 LYS 18 1HZ LYS 18 -0.917 17.102 0.718 151 HZ3 LYS 18 2HZ LYS 18 0.205 16.026 0.067 152 H PHE 19 H PHE 19 3.963 14.610 -3.065 153 HA PHE 19 HA PHE 19 5.692 15.113 -0.799 154 HB2 PHE 19 2HB PHE 19 5.785 15.733 -3.730 155 HB3 PHE 19 1HB PHE 19 6.785 16.697 -2.652 156 HD1 PHE 19 HD1 PHE 19 8.503 15.569 -1.239 157 HD2 PHE 19 HD2 PHE 19 6.423 13.523 -4.345 158 HE1 PHE 19 HE1 PHE 19 10.254 13.845 -1.272 159 HE2 PHE 19 HE2 PHE 19 8.177 11.793 -4.377 160 HZ PHE 19 HZ PHE 19 10.091 11.956 -2.837 161 H GLY 20 H GLY 20 4.339 16.291 0.616 162 HA2 GLY 20 2HA GLY 20 3.208 18.113 1.463 163 HA3 GLY 20 1HA GLY 20 4.069 19.086 0.277 164 H GLY 21 H GLY 21 2.961 19.880 -1.437 165 HA2 GLY 21 2HA GLY 21 0.136 19.118 -1.732 166 HA3 GLY 21 1HA GLY 21 0.888 20.569 -2.375 167 H LYS 22 H LYS 22 3.005 18.164 -3.078 168 HA LYS 22 HA LYS 22 2.161 18.080 -5.852 169 HB2 LYS 22 2HB LYS 22 4.551 16.746 -4.556 170 HB3 LYS 22 1HB LYS 22 4.293 16.981 -6.279 171 HG2 LYS 22 2HG LYS 22 4.749 19.136 -4.221 172 HG3 LYS 22 1HG LYS 22 5.896 18.579 -5.442 173 HD2 LYS 22 2HD LYS 22 4.368 19.350 -7.212 174 HD3 LYS 22 1HD LYS 22 3.240 19.925 -5.981 175 HE2 LYS 22 2HE LYS 22 5.013 21.438 -5.130 176 HE3 LYS 22 1HE LYS 22 6.056 20.915 -6.452 177 HZ1 LYS 22 3HZ LYS 22 4.358 21.746 -8.006 178 HZ2 LYS 22 1HZ LYS 22 4.991 22.971 -7.025 179 HZ3 LYS 22 2HZ LYS 22 3.461 22.330 -6.699 180 H SER 23 H SER 23 0.517 16.696 -6.285 181 HA SER 23 HA SER 23 0.339 14.089 -5.038 182 HB2 SER 23 2HB SER 23 -1.643 13.777 -6.492 183 HB3 SER 23 1HB SER 23 -1.722 15.295 -5.599 184 HG SER 23 HG SER 23 -0.678 15.168 -8.231 185 H ILE 24 H ILE 24 1.977 12.730 -5.636 186 HA ILE 24 HA ILE 24 2.633 12.439 -8.492 187 HB ILE 24 HB ILE 24 4.063 11.206 -6.124 188 HG12 ILE 24 2HG1 ILE 24 4.147 13.647 -5.929 189 HG13 ILE 24 1HG1 ILE 24 5.729 13.016 -6.366 190 HG21 ILE 24 1HG2 ILE 24 5.923 10.925 -7.700 191 HG22 ILE 24 2HG2 ILE 24 4.933 11.598 -8.993 192 HG23 ILE 24 3HG2 ILE 24 4.479 10.070 -8.239 193 HD11 ILE 24 3HD1 ILE 24 5.226 15.049 -7.578 194 HD12 ILE 24 1HD1 ILE 24 3.763 14.317 -8.238 195 HD13 ILE 24 2HD1 ILE 24 5.347 13.681 -8.685 196 HA PRO 25 HA PRO 25 0.080 8.681 -7.936 197 HB2 PRO 25 2HB PRO 25 -0.877 8.865 -10.601 198 HB3 PRO 25 1HB PRO 25 -1.707 9.380 -9.133 199 HG2 PRO 25 2HG PRO 25 -0.767 11.065 -11.169 200 HG3 PRO 25 1HG PRO 25 -1.266 11.569 -9.546 201 HD2 PRO 25 2HD PRO 25 1.484 11.102 -10.629 202 HD3 PRO 25 1HD PRO 25 0.923 12.301 -9.443 203 H LEU 26 H LEU 26 1.908 7.293 -7.869 204 HA LEU 26 HA LEU 26 3.094 6.390 -10.385 205 HB2 LEU 26 2HB LEU 26 3.662 5.545 -7.535 206 HB3 LEU 26 1HB LEU 26 4.586 5.060 -8.945 207 HG LEU 26 HG LEU 26 4.353 7.880 -7.878 208 HD11 LEU 26 1HD1 LEU 26 6.710 7.616 -7.274 209 HD12 LEU 26 2HD1 LEU 26 6.661 5.933 -7.802 210 HD13 LEU 26 3HD1 LEU 26 5.688 6.457 -6.428 211 HD21 LEU 26 3HD2 LEU 26 4.606 7.861 -10.307 212 HD22 LEU 26 1HD2 LEU 26 6.004 6.793 -10.166 213 HD23 LEU 26 2HD2 LEU 26 6.078 8.435 -9.528 214 H SER 27 H SER 27 3.579 3.816 -10.187 215 HA SER 27 HA SER 27 1.215 2.346 -9.259 216 HB2 SER 27 2HB SER 27 2.315 2.174 -12.084 217 HB3 SER 27 1HB SER 27 1.220 0.979 -11.388 218 HG SER 27 HG SER 27 0.667 3.756 -11.680 219 H VAL 28 H VAL 28 2.192 1.149 -7.717 220 HA VAL 28 HA VAL 28 4.549 -0.464 -8.475 221 HB VAL 28 HB VAL 28 5.485 -0.152 -6.211 222 HG11 VAL 28 1HG1 VAL 28 6.288 2.148 -6.504 223 HG12 VAL 28 2HG1 VAL 28 5.017 2.442 -7.690 224 HG13 VAL 28 3HG1 VAL 28 6.285 1.263 -8.030 225 HG21 VAL 28 3HG2 VAL 28 4.620 1.651 -4.757 226 HG22 VAL 28 1HG2 VAL 28 3.446 0.353 -4.978 227 HG23 VAL 28 2HG2 VAL 28 3.259 1.869 -5.859 228 H SER 29 H SER 29 4.886 -2.371 -7.034 229 HA SER 29 HA SER 29 2.378 -3.731 -6.658 230 HB2 SER 29 2HB SER 29 3.750 -5.685 -6.056 231 HB3 SER 29 1HB SER 29 4.317 -4.942 -7.548 232 HG SER 29 HG SER 29 5.897 -5.545 -5.783 233 HA PRO 30 HA PRO 30 1.729 -2.659 -2.402 234 HB2 PRO 30 2HB PRO 30 0.077 -4.714 -1.677 235 HB3 PRO 30 1HB PRO 30 -0.448 -3.339 -2.652 236 HG2 PRO 30 2HG PRO 30 0.376 -6.085 -3.541 237 HG3 PRO 30 1HG PRO 30 -0.999 -5.100 -4.082 238 HD2 PRO 30 2HD PRO 30 1.271 -5.282 -5.526 239 HD3 PRO 30 1HD PRO 30 0.324 -3.780 -5.457 240 H ASP 31 H ASP 31 3.295 -5.553 -3.376 241 HA ASP 31 HA ASP 31 3.826 -6.543 -0.713 242 HB2 ASP 31 2HB ASP 31 4.970 -7.362 -3.393 243 HB3 ASP 31 1HB ASP 31 5.218 -8.223 -1.875 244 H CYS 32 H CYS 32 5.201 -4.120 -2.661 245 HA CYS 32 HA CYS 32 7.921 -4.319 -1.803 246 HB2 CYS 32 2HB CYS 32 6.348 -1.967 -2.880 247 HB3 CYS 32 1HB CYS 32 8.081 -1.933 -2.575 248 HG CYS 32 HG CYS 32 6.395 -3.187 -5.164 249 H THR 33 H THR 33 9.019 -3.166 -0.191 250 HA THR 33 HA THR 33 7.431 -2.423 2.123 251 HB THR 33 HB THR 33 9.527 -2.132 3.306 252 HG1 THR 33 HG1 THR 33 11.001 -2.760 0.967 253 HG21 THR 33 3HG2 THR 33 10.509 -4.363 3.065 254 HG22 THR 33 1HG2 THR 33 9.680 -4.571 1.520 255 HG23 THR 33 2HG2 THR 33 8.748 -4.445 3.013 256 H VAL 34 H VAL 34 7.593 -0.359 3.208 257 HA VAL 34 HA VAL 34 7.424 1.866 1.466 258 HB VAL 34 HB VAL 34 7.224 3.257 3.451 259 HG11 VAL 34 1HG1 VAL 34 5.260 2.001 2.752 260 HG12 VAL 34 2HG1 VAL 34 5.295 2.150 4.508 261 HG13 VAL 34 3HG1 VAL 34 5.756 0.628 3.741 262 HG21 VAL 34 3HG2 VAL 34 7.469 2.327 5.707 263 HG22 VAL 34 1HG2 VAL 34 8.986 2.263 4.813 264 HG23 VAL 34 2HG2 VAL 34 8.023 0.799 5.019 265 H LYS 35 H LYS 35 10.146 0.402 3.034 266 HA LYS 35 HA LYS 35 11.937 2.609 2.942 267 HB2 LYS 35 2HB LYS 35 12.484 0.626 4.262 268 HB3 LYS 35 1HB LYS 35 12.505 -0.366 2.808 269 HG2 LYS 35 2HG LYS 35 14.405 1.009 1.965 270 HG3 LYS 35 1HG LYS 35 14.430 1.851 3.514 271 HD2 LYS 35 2HD LYS 35 14.803 -1.128 3.157 272 HD3 LYS 35 1HD LYS 35 16.117 0.035 3.341 273 HE2 LYS 35 2HE LYS 35 15.234 0.664 5.547 274 HE3 LYS 35 1HE LYS 35 13.942 -0.522 5.362 275 HZ1 LYS 35 3HZ LYS 35 16.839 -1.155 5.387 276 HZ2 LYS 35 1HZ LYS 35 15.573 -2.273 5.301 277 HZ3 LYS 35 2HZ LYS 35 15.793 -1.351 6.699 278 H ASP 36 H ASP 36 11.239 -0.022 0.646 279 HA ASP 36 HA ASP 36 13.135 0.685 -1.300 280 HB2 ASP 36 2HB ASP 36 11.755 -1.465 -1.119 281 HB3 ASP 36 1HB ASP 36 10.462 -0.578 -1.920 282 H LEU 37 H LEU 37 9.788 1.761 -0.819 283 HA LEU 37 HA LEU 37 9.519 3.406 -3.063 284 HB2 LEU 37 2HB LEU 37 8.385 3.632 -0.281 285 HB3 LEU 37 1HB LEU 37 7.996 4.797 -1.534 286 HG LEU 37 HG LEU 37 7.411 1.830 -1.636 287 HD11 LEU 37 1HD1 LEU 37 5.976 3.044 -0.073 288 HD12 LEU 37 2HD1 LEU 37 5.073 2.501 -1.486 289 HD13 LEU 37 3HD1 LEU 37 5.552 4.193 -1.342 290 HD21 LEU 37 3HD2 LEU 37 6.806 4.027 -3.623 291 HD22 LEU 37 1HD2 LEU 37 6.183 2.378 -3.708 292 HD23 LEU 37 2HD2 LEU 37 7.915 2.675 -3.855 293 H LYS 38 H LYS 38 10.812 4.237 0.162 294 HA LYS 38 HA LYS 38 11.540 6.880 -0.336 295 HB2 LYS 38 2HB LYS 38 13.039 4.846 1.338 296 HB3 LYS 38 1HB LYS 38 13.231 6.592 1.437 297 HG2 LYS 38 2HG LYS 38 10.933 6.820 2.217 298 HG3 LYS 38 1HG LYS 38 10.699 5.075 2.066 299 HD2 LYS 38 2HD LYS 38 12.484 4.709 3.731 300 HD3 LYS 38 1HD LYS 38 12.670 6.455 3.901 301 HE2 LYS 38 2HE LYS 38 10.354 6.616 4.696 302 HE3 LYS 38 1HE LYS 38 10.172 4.870 4.526 303 HZ1 LYS 38 3HZ LYS 38 12.070 6.257 6.347 304 HZ2 LYS 38 1HZ LYS 38 11.937 4.584 6.167 305 HZ3 LYS 38 2HZ LYS 38 10.648 5.465 6.809 306 H SER 39 H SER 39 13.333 3.894 -0.972 307 HA SER 39 HA SER 39 15.695 5.028 -1.998 308 HB2 SER 39 2HB SER 39 15.456 2.642 -1.365 309 HB3 SER 39 1HB SER 39 14.406 2.388 -2.757 310 HG SER 39 HG SER 39 16.141 2.828 -4.115 311 H GLN 40 H GLN 40 12.635 4.217 -3.576 312 HA GLN 40 HA GLN 40 13.543 4.739 -6.237 313 HB2 GLN 40 2HB GLN 40 10.787 4.445 -5.044 314 HB3 GLN 40 1HB GLN 40 11.052 4.754 -6.754 315 HG2 GLN 40 2HG GLN 40 12.370 2.676 -6.900 316 HG3 GLN 40 1HG GLN 40 12.023 2.359 -5.202 317 HE21 GLN 40 1HE2 GLN 40 9.297 3.335 -5.339 318 HE22 GLN 40 2HE2 GLN 40 8.403 2.133 -6.193 319 H LEU 41 H LEU 41 11.696 6.649 -3.872 320 HA LEU 41 HA LEU 41 11.320 8.877 -5.629 321 HB2 LEU 41 2HB LEU 41 11.089 8.695 -2.622 322 HB3 LEU 41 1HB LEU 41 10.552 10.057 -3.588 323 HG LEU 41 HG LEU 41 9.441 7.248 -3.762 324 HD11 LEU 41 1HD1 LEU 41 8.832 8.331 -1.669 325 HD12 LEU 41 2HD1 LEU 41 7.435 8.199 -2.733 326 HD13 LEU 41 3HD1 LEU 41 8.257 9.748 -2.548 327 HD21 LEU 41 3HD2 LEU 41 9.325 8.433 -5.902 328 HD22 LEU 41 1HD2 LEU 41 8.531 9.796 -5.112 329 HD23 LEU 41 2HD2 LEU 41 7.722 8.230 -5.195 330 H GLN 42 H GLN 42 13.955 7.882 -3.634 331 HA GLN 42 HA GLN 42 15.080 10.281 -2.828 332 HB2 GLN 42 2HB GLN 42 15.844 7.926 -2.231 333 HB3 GLN 42 1HB GLN 42 16.738 7.923 -3.744 334 HG2 GLN 42 2HG GLN 42 17.937 9.977 -2.945 335 HG3 GLN 42 1HG GLN 42 17.143 9.759 -1.388 336 HE21 GLN 42 1HE2 GLN 42 19.658 8.711 -3.463 337 HE22 GLN 42 2HE2 GLN 42 20.378 7.576 -2.378 338 HA PRO 43 HA PRO 43 17.634 10.660 -6.916 339 HB2 PRO 43 2HB PRO 43 16.974 9.152 -9.067 340 HB3 PRO 43 1HB PRO 43 18.084 8.583 -7.814 341 HG2 PRO 43 2HG PRO 43 15.157 8.002 -8.147 342 HG3 PRO 43 1HG PRO 43 16.484 6.877 -7.797 343 HD2 PRO 43 2HD PRO 43 14.855 7.824 -5.859 344 HD3 PRO 43 1HD PRO 43 16.568 7.466 -5.564 345 H ILE 44 H ILE 44 14.199 10.370 -6.841 346 HA ILE 44 HA ILE 44 13.688 11.894 -9.242 347 HB ILE 44 HB ILE 44 11.823 11.175 -6.966 348 HG12 ILE 44 2HG1 ILE 44 12.209 9.900 -9.692 349 HG13 ILE 44 1HG1 ILE 44 12.705 9.207 -8.152 350 HG21 ILE 44 1HG2 ILE 44 11.016 13.130 -8.176 351 HG22 ILE 44 2HG2 ILE 44 10.004 11.730 -8.527 352 HG23 ILE 44 3HG2 ILE 44 11.192 12.277 -9.710 353 HD11 ILE 44 3HD1 ILE 44 10.370 9.060 -7.462 354 HD12 ILE 44 1HD1 ILE 44 10.657 8.190 -8.968 355 HD13 ILE 44 2HD1 ILE 44 9.870 9.768 -8.997 356 H THR 45 H THR 45 13.024 12.581 -5.784 357 HA THR 45 HA THR 45 12.961 15.454 -6.404 358 HB THR 45 HB THR 45 12.199 14.108 -3.795 359 HG1 THR 45 HG1 THR 45 10.026 14.362 -4.648 360 HG21 THR 45 3HG2 THR 45 12.603 16.521 -3.603 361 HG22 THR 45 1HG2 THR 45 10.891 16.153 -3.414 362 HG23 THR 45 2HG2 THR 45 11.485 16.822 -4.933 363 H ASN 46 H ASN 46 15.277 13.319 -5.533 364 HA ASN 46 HA ASN 46 17.292 13.379 -4.504 365 HB2 ASN 46 2HB ASN 46 16.877 16.378 -4.618 366 HB3 ASN 46 1HB ASN 46 18.396 15.593 -4.194 367 HD21 ASN 46 1HD2 ASN 46 16.241 16.439 -6.742 368 HD22 ASN 46 2HD2 ASN 46 17.253 15.935 -8.046 369 H VAL 47 H VAL 47 15.127 12.869 -2.899 370 HA VAL 47 HA VAL 47 15.795 14.181 -0.341 371 HB VAL 47 HB VAL 47 13.495 14.617 -0.947 372 HG11 VAL 47 1HG1 VAL 47 11.850 12.816 -1.271 373 HG12 VAL 47 2HG1 VAL 47 13.144 11.623 -1.166 374 HG13 VAL 47 3HG1 VAL 47 13.116 12.777 -2.499 375 HG21 VAL 47 3HG2 VAL 47 13.682 12.536 1.237 376 HG22 VAL 47 1HG2 VAL 47 12.327 13.641 1.000 377 HG23 VAL 47 2HG2 VAL 47 13.918 14.273 1.416 378 H LEU 48 H LEU 48 16.720 12.966 1.188 379 HA LEU 48 HA LEU 48 17.347 10.214 0.667 380 HB2 LEU 48 2HB LEU 48 17.911 12.013 3.024 381 HB3 LEU 48 1HB LEU 48 18.499 10.364 2.904 382 HG LEU 48 HG LEU 48 19.170 12.543 0.913 383 HD11 LEU 48 1HD1 LEU 48 20.825 11.470 3.206 384 HD12 LEU 48 2HD1 LEU 48 20.098 13.076 3.116 385 HD13 LEU 48 3HD1 LEU 48 21.368 12.620 1.982 386 HD21 LEU 48 3HD2 LEU 48 20.904 10.986 0.168 387 HD22 LEU 48 1HD2 LEU 48 19.296 10.282 -0.006 388 HD23 LEU 48 2HD2 LEU 48 20.335 9.786 1.330 389 HA PRO 49 HA PRO 49 14.127 7.944 2.678 390 HB2 PRO 49 2HB PRO 49 15.670 6.158 4.193 391 HB3 PRO 49 1HB PRO 49 15.172 5.932 2.513 392 HG2 PRO 49 2HG PRO 49 17.762 6.954 3.605 393 HG3 PRO 49 1HG PRO 49 17.467 5.889 2.217 394 HD2 PRO 49 2HD PRO 49 18.069 8.468 1.862 395 HD3 PRO 49 1HD PRO 49 16.865 7.667 0.828 396 H ARG 50 H ARG 50 16.799 9.011 4.757 397 HA ARG 50 HA ARG 50 15.501 8.877 7.238 398 HB2 ARG 50 2HB ARG 50 17.891 9.258 7.050 399 HB3 ARG 50 1HB ARG 50 17.621 10.805 6.256 400 HG2 ARG 50 2HG ARG 50 16.624 11.695 8.292 401 HG3 ARG 50 1HG ARG 50 16.828 10.134 9.089 402 HD2 ARG 50 2HD ARG 50 19.252 10.325 8.877 403 HD3 ARG 50 1HD ARG 50 19.068 11.860 8.025 404 HE ARG 50 HE ARG 50 17.929 12.602 10.188 405 HH11 ARG 50 1HH1 ARG 50 20.525 10.330 10.061 406 HH12 ARG 50 2HH1 ARG 50 21.065 10.710 11.659 407 HH21 ARG 50 1HH2 ARG 50 18.631 13.068 12.226 408 HH22 ARG 50 2HH2 ARG 50 20.013 12.243 12.868 409 H GLY 51 H GLY 51 15.480 11.432 4.779 410 HA2 GLY 51 2HA GLY 51 13.868 13.204 6.416 411 HA3 GLY 51 1HA GLY 51 14.394 13.493 4.768 412 H GLN 52 H GLN 52 13.206 10.621 4.286 413 HA GLN 52 HA GLN 52 10.614 11.614 3.435 414 HB2 GLN 52 2HB GLN 52 12.138 9.063 2.941 415 HB3 GLN 52 1HB GLN 52 10.453 9.230 2.460 416 HG2 GLN 52 2HG GLN 52 11.012 11.113 1.041 417 HG3 GLN 52 1HG GLN 52 12.691 11.038 1.569 418 HE21 GLN 52 1HE2 GLN 52 14.029 9.485 0.722 419 HE22 GLN 52 2HE2 GLN 52 13.582 8.484 -0.609 420 H LYS 53 H LYS 53 9.222 11.784 5.122 421 HA LYS 53 HA LYS 53 8.735 9.459 6.849 422 HB2 LYS 53 2HB LYS 53 7.525 12.235 6.894 423 HB3 LYS 53 1HB LYS 53 7.228 10.977 8.086 424 HG2 LYS 53 2HG LYS 53 9.481 11.071 8.863 425 HG3 LYS 53 1HG LYS 53 9.962 12.123 7.528 426 HD2 LYS 53 2HD LYS 53 9.710 13.435 9.551 427 HD3 LYS 53 1HD LYS 53 8.444 13.874 8.404 428 HE2 LYS 53 2HE LYS 53 7.415 13.713 10.542 429 HE3 LYS 53 1HE LYS 53 6.923 12.282 9.638 430 HZ1 LYS 53 3HZ LYS 53 8.657 11.028 10.806 431 HZ2 LYS 53 1HZ LYS 53 7.540 11.701 11.884 432 HZ3 LYS 53 2HZ LYS 53 9.064 12.408 11.695 433 H LEU 54 H LEU 54 7.671 7.989 5.502 434 HA LEU 54 HA LEU 54 5.369 8.756 3.942 435 HB2 LEU 54 2HB LEU 54 6.585 6.074 4.610 436 HB3 LEU 54 1HB LEU 54 5.140 6.247 3.629 437 HG LEU 54 HG LEU 54 7.840 7.430 2.929 438 HD11 LEU 54 1HD1 LEU 54 7.880 4.983 2.835 439 HD12 LEU 54 2HD1 LEU 54 7.965 5.694 1.222 440 HD13 LEU 54 3HD1 LEU 54 6.451 4.998 1.800 441 HD21 LEU 54 3HD2 LEU 54 5.967 8.703 2.013 442 HD22 LEU 54 1HD2 LEU 54 5.281 7.227 1.331 443 HD23 LEU 54 2HD2 LEU 54 6.823 7.840 0.737 444 H ILE 55 H ILE 55 3.396 9.051 4.728 445 HA ILE 55 HA ILE 55 2.593 7.665 7.214 446 HB ILE 55 HB ILE 55 2.027 10.542 6.446 447 HG12 ILE 55 2HG1 ILE 55 3.710 9.401 8.700 448 HG13 ILE 55 1HG1 ILE 55 4.345 10.125 7.226 449 HG21 ILE 55 1HG2 ILE 55 0.955 10.741 8.643 450 HG22 ILE 55 2HG2 ILE 55 1.188 9.014 8.913 451 HG23 ILE 55 3HG2 ILE 55 0.126 9.569 7.620 452 HD11 ILE 55 3HD1 ILE 55 3.333 12.265 7.859 453 HD12 ILE 55 1HD1 ILE 55 4.472 11.676 9.070 454 HD13 ILE 55 2HD1 ILE 55 2.737 11.530 9.348 455 H PHE 56 H PHE 56 0.701 6.588 7.104 456 HA PHE 56 HA PHE 56 -1.342 7.427 5.146 457 HB2 PHE 56 2HB PHE 56 -0.107 5.444 4.277 458 HB3 PHE 56 1HB PHE 56 -0.581 4.547 5.714 459 HD1 PHE 56 HD1 PHE 56 -2.195 6.610 3.041 460 HD2 PHE 56 HD2 PHE 56 -2.387 3.120 5.484 461 HE1 PHE 56 HE1 PHE 56 -4.263 5.929 1.901 462 HE2 PHE 56 HE2 PHE 56 -4.458 2.437 4.341 463 HZ PHE 56 HZ PHE 56 -5.397 3.840 2.546 464 H LYS 57 H LYS 57 -3.492 7.204 5.826 465 HA LYS 57 HA LYS 57 -5.210 7.276 7.326 466 HB2 LYS 57 2HB LYS 57 -3.572 5.141 8.723 467 HB3 LYS 57 1HB LYS 57 -5.189 5.611 9.220 468 HG2 LYS 57 2HG LYS 57 -4.498 4.484 6.509 469 HG3 LYS 57 1HG LYS 57 -5.116 3.539 7.864 470 HD2 LYS 57 2HD LYS 57 -7.145 4.961 7.885 471 HD3 LYS 57 1HD LYS 57 -6.531 5.822 6.473 472 HE2 LYS 57 2HE LYS 57 -8.160 4.135 5.810 473 HE3 LYS 57 1HE LYS 57 -6.561 3.726 5.190 474 HZ1 LYS 57 3HZ LYS 57 -7.769 2.563 7.643 475 HZ2 LYS 57 1HZ LYS 57 -6.303 2.116 6.935 476 HZ3 LYS 57 2HZ LYS 57 -7.757 1.812 6.129 477 H GLY 58 H GLY 58 -2.630 8.867 7.678 478 HA2 GLY 58 2HA GLY 58 -1.858 10.484 9.142 479 HA3 GLY 58 1HA GLY 58 -3.196 10.096 10.214 480 H LYS 59 H LYS 59 -1.109 7.550 9.169 481 HA LYS 59 HA LYS 59 0.357 7.575 11.730 482 HB2 LYS 59 2HB LYS 59 -1.507 5.958 11.833 483 HB3 LYS 59 1HB LYS 59 -0.904 5.171 10.380 484 HG2 LYS 59 2HG LYS 59 1.191 4.631 11.613 485 HG3 LYS 59 1HG LYS 59 0.450 5.293 13.073 486 HD2 LYS 59 2HD LYS 59 -1.367 3.634 12.876 487 HD3 LYS 59 1HD LYS 59 -0.582 2.961 11.445 488 HE2 LYS 59 2HE LYS 59 1.417 2.471 12.839 489 HE3 LYS 59 1HE LYS 59 0.526 3.029 14.254 490 HZ1 LYS 59 3HZ LYS 59 -1.118 1.284 13.830 491 HZ2 LYS 59 1HZ LYS 59 0.429 0.645 14.085 492 HZ3 LYS 59 2HZ LYS 59 -0.203 0.736 12.520 493 H VAL 60 H VAL 60 2.532 7.385 11.470 494 HA VAL 60 HA VAL 60 3.685 7.122 8.873 495 HB VAL 60 HB VAL 60 4.751 8.477 10.626 496 HG11 VAL 60 1HG1 VAL 60 5.374 5.846 11.971 497 HG12 VAL 60 2HG1 VAL 60 4.250 7.069 12.557 498 HG13 VAL 60 3HG1 VAL 60 5.973 7.430 12.465 499 HG21 VAL 60 3HG2 VAL 60 6.490 6.199 9.655 500 HG22 VAL 60 1HG2 VAL 60 7.071 7.757 10.248 501 HG23 VAL 60 2HG2 VAL 60 6.117 7.677 8.767 502 H LEU 61 H LEU 61 4.690 5.403 7.880 503 HA LEU 61 HA LEU 61 4.146 2.773 9.045 504 HB2 LEU 61 2HB LEU 61 5.037 3.535 6.257 505 HB3 LEU 61 1HB LEU 61 4.698 1.900 6.788 506 HG LEU 61 HG LEU 61 2.789 2.573 5.591 507 HD11 LEU 61 1HD1 LEU 61 0.993 2.610 7.237 508 HD12 LEU 61 2HD1 LEU 61 2.150 3.008 8.509 509 HD13 LEU 61 3HD1 LEU 61 2.245 1.450 7.684 510 HD21 LEU 61 3HD2 LEU 61 1.574 4.667 5.991 511 HD22 LEU 61 1HD2 LEU 61 3.232 4.955 5.461 512 HD23 LEU 61 2HD2 LEU 61 2.802 5.153 7.161 513 H VAL 62 H VAL 62 5.689 1.100 9.128 514 HA VAL 62 HA VAL 62 8.373 2.021 9.807 515 HB VAL 62 HB VAL 62 7.122 -0.728 10.088 516 HG11 VAL 62 1HG1 VAL 62 9.658 0.387 11.297 517 HG12 VAL 62 2HG1 VAL 62 9.561 -0.835 10.028 518 HG13 VAL 62 3HG1 VAL 62 8.957 -1.193 11.647 519 HG21 VAL 62 3HG2 VAL 62 6.867 -0.158 12.464 520 HG22 VAL 62 1HG2 VAL 62 5.938 0.923 11.428 521 HG23 VAL 62 2HG2 VAL 62 7.458 1.470 12.134 522 H GLU 63 H GLU 63 10.289 1.196 8.830 523 HA GLU 63 HA GLU 63 10.216 0.986 6.056 524 HB2 GLU 63 2HB GLU 63 12.399 0.020 7.911 525 HB3 GLU 63 1HB GLU 63 12.580 0.300 6.184 526 HG2 GLU 63 2HG GLU 63 12.037 2.686 6.547 527 HG3 GLU 63 1HG GLU 63 11.960 2.375 8.282 528 H THR 64 H THR 64 10.069 -1.571 8.448 529 HA THR 64 HA THR 64 10.568 -3.717 6.597 530 HB THR 64 HB THR 64 9.953 -5.224 8.422 531 HG1 THR 64 HG1 THR 64 8.659 -4.564 9.957 532 HG21 THR 64 3HG2 THR 64 11.617 -2.898 9.410 533 HG22 THR 64 1HG2 THR 64 12.211 -4.249 8.443 534 HG23 THR 64 2HG2 THR 64 11.618 -4.531 10.081 535 H SER 65 H SER 65 7.759 -1.896 7.458 536 HA SER 65 HA SER 65 5.877 -3.990 6.764 537 HB2 SER 65 2HB SER 65 4.132 -2.313 7.217 538 HB3 SER 65 1HB SER 65 5.285 -2.417 8.545 539 HG SER 65 HG SER 65 6.074 -0.557 6.742 540 H THR 66 H THR 66 4.599 -4.117 4.960 541 HA THR 66 HA THR 66 5.537 -2.624 2.611 542 HB THR 66 HB THR 66 4.469 -4.325 1.256 543 HG1 THR 66 HG1 THR 66 3.367 -6.096 2.343 544 HG21 THR 66 3HG2 THR 66 5.941 -5.586 3.578 545 HG22 THR 66 1HG2 THR 66 6.676 -4.899 2.127 546 HG23 THR 66 2HG2 THR 66 5.667 -6.343 2.008 547 H LEU 67 H LEU 67 3.758 -2.214 0.901 548 HA LEU 67 HA LEU 67 1.834 -0.415 1.931 549 HB2 LEU 67 2HB LEU 67 2.079 -1.721 -0.786 550 HB3 LEU 67 1HB LEU 67 0.846 -0.534 -0.409 551 HG LEU 67 HG LEU 67 2.597 0.590 -1.574 552 HD11 LEU 67 1HD1 LEU 67 3.286 2.291 0.027 553 HD12 LEU 67 2HD1 LEU 67 2.841 1.227 1.363 554 HD13 LEU 67 3HD1 LEU 67 1.599 1.836 0.268 555 HD21 LEU 67 3HD2 LEU 67 4.394 -1.030 -1.207 556 HD22 LEU 67 1HD2 LEU 67 4.535 -0.498 0.470 557 HD23 LEU 67 2HD2 LEU 67 4.923 0.612 -0.843 558 H LYS 68 H LYS 68 1.565 -3.784 0.857 559 HA LYS 68 HA LYS 68 -1.240 -4.006 1.071 560 HB2 LYS 68 2HB LYS 68 0.198 -5.622 -0.136 561 HB3 LYS 68 1HB LYS 68 0.843 -6.183 1.401 562 HG2 LYS 68 2HG LYS 68 -1.286 -7.068 2.052 563 HG3 LYS 68 1HG LYS 68 -2.079 -6.326 0.663 564 HD2 LYS 68 2HD LYS 68 -1.727 -8.714 0.285 565 HD3 LYS 68 1HD LYS 68 -0.775 -7.754 -0.849 566 HE2 LYS 68 2HE LYS 68 1.210 -8.073 0.588 567 HE3 LYS 68 1HE LYS 68 0.246 -9.084 1.666 568 HZ1 LYS 68 3HZ LYS 68 -0.120 -10.613 -0.190 569 HZ2 LYS 68 1HZ LYS 68 1.527 -10.432 0.148 570 HZ3 LYS 68 2HZ LYS 68 0.851 -9.650 -1.188 571 H GLN 69 H GLN 69 1.350 -4.520 3.442 572 HA GLN 69 HA GLN 69 -0.276 -5.383 5.588 573 HB2 GLN 69 2HB GLN 69 2.365 -3.912 5.550 574 HB3 GLN 69 1HB GLN 69 1.607 -4.481 7.029 575 HG2 GLN 69 2HG GLN 69 1.746 -6.779 6.239 576 HG3 GLN 69 1HG GLN 69 2.462 -6.226 4.724 577 HE21 GLN 69 1HE2 GLN 69 4.312 -7.483 5.121 578 HE22 GLN 69 2HE2 GLN 69 5.500 -7.007 6.282 579 H SER 70 H SER 70 0.347 -2.231 4.245 580 HA SER 70 HA SER 70 -0.741 -0.818 6.558 581 HB2 SER 70 2HB SER 70 0.325 0.264 3.933 582 HB3 SER 70 1HB SER 70 -0.058 1.212 5.369 583 HG SER 70 HG SER 70 2.105 -0.477 4.861 584 H ASP 71 H ASP 71 -2.368 -2.497 4.467 585 HA ASP 71 HA ASP 71 -4.469 -2.467 3.596 586 HB2 ASP 71 2HB ASP 71 -4.744 0.044 5.268 587 HB3 ASP 71 1HB ASP 71 -6.081 -0.788 4.480 588 H VAL 72 H VAL 72 -2.208 -0.879 2.314 589 HA VAL 72 HA VAL 72 -3.555 1.237 0.870 590 HB VAL 72 HB VAL 72 -0.791 0.052 0.492 591 HG11 VAL 72 1HG1 VAL 72 -0.306 2.044 -0.852 592 HG12 VAL 72 2HG1 VAL 72 -1.982 2.567 -0.694 593 HG13 VAL 72 3HG1 VAL 72 -1.599 1.087 -1.573 594 HG21 VAL 72 3HG2 VAL 72 -1.078 1.142 2.664 595 HG22 VAL 72 1HG2 VAL 72 -1.667 2.600 1.868 596 HG23 VAL 72 2HG2 VAL 72 -0.000 2.079 1.629 597 H GLY 73 H GLY 73 -4.535 1.086 -1.072 598 HA2 GLY 73 2HA GLY 73 -3.980 -1.263 -2.779 599 HA3 GLY 73 1HA GLY 73 -5.639 -0.814 -2.408 600 H SER 74 H SER 74 -5.463 -0.861 -4.918 601 HA SER 74 HA SER 74 -4.154 1.249 -6.278 602 HB2 SER 74 2HB SER 74 -4.958 -0.821 -7.401 603 HB3 SER 74 1HB SER 74 -6.619 -0.272 -7.177 604 HG SER 74 HG SER 74 -6.352 1.247 -8.675 605 H GLY 75 H GLY 75 -4.547 3.339 -5.965 606 HA2 GLY 75 2HA GLY 75 -6.053 5.193 -6.458 607 HA3 GLY 75 1HA GLY 75 -7.347 4.259 -5.728 608 H ALA 76 H ALA 76 -4.680 3.769 -3.835 609 HA ALA 76 HA ALA 76 -5.694 5.472 -1.740 610 HB1 ALA 76 3HB ALA 76 -4.892 3.225 -1.240 611 HB2 ALA 76 1HB ALA 76 -3.967 4.435 -0.351 612 HB3 ALA 76 2HB ALA 76 -3.274 3.669 -1.781 613 H LYS 77 H LYS 77 -4.467 7.043 -0.564 614 HA LYS 77 HA LYS 77 -2.397 8.413 -2.175 615 HB2 LYS 77 2HB LYS 77 -4.601 9.665 -0.516 616 HB3 LYS 77 1HB LYS 77 -3.341 10.552 -1.365 617 HG2 LYS 77 2HG LYS 77 -4.195 9.891 -3.493 618 HG3 LYS 77 1HG LYS 77 -5.301 8.732 -2.758 619 HD2 LYS 77 2HD LYS 77 -6.477 10.754 -3.475 620 HD3 LYS 77 1HD LYS 77 -6.550 10.557 -1.723 621 HE2 LYS 77 2HE LYS 77 -4.748 12.190 -1.456 622 HE3 LYS 77 1HE LYS 77 -4.648 12.374 -3.209 623 HZ1 LYS 77 3HZ LYS 77 -7.023 13.012 -1.546 624 HZ2 LYS 77 1HZ LYS 77 -6.902 13.216 -3.222 625 HZ3 LYS 77 2HZ LYS 77 -5.940 14.142 -2.187 626 H LEU 78 H LEU 78 -0.489 8.421 -1.145 627 HA LEU 78 HA LEU 78 -0.373 8.119 1.764 628 HB2 LEU 78 2HB LEU 78 1.827 8.078 -0.310 629 HB3 LEU 78 1HB LEU 78 2.058 7.792 1.404 630 HG LEU 78 HG LEU 78 0.500 6.048 -0.512 631 HD11 LEU 78 1HD1 LEU 78 3.090 5.586 0.972 632 HD12 LEU 78 2HD1 LEU 78 2.914 5.864 -0.760 633 HD13 LEU 78 3HD1 LEU 78 2.250 4.403 -0.033 634 HD21 LEU 78 3HD2 LEU 78 -0.578 6.048 1.674 635 HD22 LEU 78 1HD2 LEU 78 0.967 5.708 2.456 636 HD23 LEU 78 2HD2 LEU 78 0.236 4.512 1.385 637 H MET 79 H MET 79 0.352 9.651 3.161 638 HA MET 79 HA MET 79 1.013 12.304 2.125 639 HB2 MET 79 2HB MET 79 -0.567 12.299 3.937 640 HB3 MET 79 1HB MET 79 0.470 11.273 4.919 641 HG2 MET 79 2HG MET 79 2.089 13.063 5.136 642 HG3 MET 79 1HG MET 79 1.130 14.089 4.072 643 HE1 MET 79 3HE MET 79 0.838 15.677 7.696 644 HE2 MET 79 1HE MET 79 1.368 15.963 6.039 645 HE3 MET 79 2HE MET 79 2.223 14.796 7.051 646 H LEU 80 H LEU 80 3.108 12.649 1.608 647 HA LEU 80 HA LEU 80 5.193 11.370 3.250 648 HB2 LEU 80 2HB LEU 80 5.312 10.810 0.893 649 HB3 LEU 80 1HB LEU 80 5.314 12.509 0.453 650 HG LEU 80 HG LEU 80 7.523 12.811 1.416 651 HD11 LEU 80 1HD1 LEU 80 8.789 10.956 2.357 652 HD12 LEU 80 2HD1 LEU 80 7.398 9.891 2.169 653 HD13 LEU 80 3HD1 LEU 80 7.323 11.246 3.291 654 HD21 LEU 80 3HD2 LEU 80 7.380 12.026 -0.893 655 HD22 LEU 80 1HD2 LEU 80 7.416 10.353 -0.336 656 HD23 LEU 80 2HD2 LEU 80 8.817 11.397 -0.092 657 H MET 81 H MET 81 5.962 12.642 4.800 658 HA MET 81 HA MET 81 6.044 15.544 4.459 659 HB2 MET 81 2HB MET 81 5.227 14.637 6.588 660 HB3 MET 81 1HB MET 81 6.755 13.813 6.842 661 HG2 MET 81 2HG MET 81 7.902 15.965 6.978 662 HG3 MET 81 1HG MET 81 6.370 16.797 6.713 663 HE1 MET 81 3HE MET 81 7.127 17.546 10.487 664 HE2 MET 81 1HE MET 81 6.768 18.244 8.908 665 HE3 MET 81 2HE MET 81 8.303 17.420 9.180 666 H ALA 82 H ALA 82 7.706 16.195 3.222 667 HA ALA 82 HA ALA 82 10.436 15.458 4.050 668 HB1 ALA 82 3HB ALA 82 9.499 15.641 1.178 669 HB2 ALA 82 1HB ALA 82 9.888 14.152 2.040 670 HB3 ALA 82 2HB ALA 82 11.151 15.337 1.713 671 H SER 83 H SER 83 12.040 17.096 3.651 672 HA SER 83 HA SER 83 11.027 19.747 4.006 673 HB2 SER 83 2HB SER 83 13.395 20.443 4.076 674 HB3 SER 83 1HB SER 83 13.097 19.043 5.107 675 HG SER 83 HG SER 83 14.502 19.223 2.679 676 H GLN 84 H GLN 84 12.537 18.071 1.279 677 HA GLN 84 HA GLN 84 12.150 20.445 -0.406 678 HB2 GLN 84 2HB GLN 84 13.349 19.029 -2.163 679 HB3 GLN 84 1HB GLN 84 14.301 19.562 -0.788 680 HG2 GLN 84 2HG GLN 84 13.016 16.855 -0.785 681 HG3 GLN 84 1HG GLN 84 14.532 17.130 -1.639 682 HE21 GLN 84 1HE2 GLN 84 15.532 19.072 0.266 683 HE22 GLN 84 2HE2 GLN 84 15.979 18.176 1.675 684 H GLY 85 H GLY 85 10.990 20.328 -2.399 685 HA2 GLY 85 2HA GLY 85 9.441 18.103 -3.217 686 HA3 GLY 85 1HA GLY 85 8.463 19.131 -2.180 Start of MODEL 12 1 H1 MET 1 1H MET 1 -14.457 3.890 -33.911 2 H2 MET 1 2H MET 1 -14.234 2.909 -32.553 3 H3 MET 1 3H MET 1 -15.747 2.980 -33.307 4 HA MET 1 HA MET 1 -14.893 1.949 -35.277 5 HB2 MET 1 2HB MET 1 -12.623 2.888 -35.130 6 HB3 MET 1 1HB MET 1 -12.275 1.843 -33.760 7 HG2 MET 1 2HG MET 1 -12.555 -0.125 -35.190 8 HG3 MET 1 1HG MET 1 -12.897 0.924 -36.564 9 HE1 MET 1 3HE MET 1 -11.110 2.551 -37.670 10 HE2 MET 1 1HE MET 1 -9.471 2.760 -37.057 11 HE3 MET 1 2HE MET 1 -10.845 3.316 -36.104 12 H GLY 2 H GLY 2 -13.340 0.775 -32.250 13 HA2 GLY 2 2HA GLY 2 -15.189 -1.506 -32.230 14 HA3 GLY 2 1HA GLY 2 -13.478 -1.857 -32.404 15 H HIS 3 H HIS 3 -12.597 -2.511 -30.530 16 HA HIS 3 HA HIS 3 -13.257 -1.062 -28.056 17 HB2 HIS 3 2HB HIS 3 -13.277 -4.087 -28.265 18 HB3 HIS 3 1HB HIS 3 -13.498 -3.156 -26.788 19 HD1 HIS 3 HD1 HIS 3 -15.332 -4.671 -29.523 20 HD2 HIS 3 HD2 HIS 3 -15.964 -1.545 -26.861 21 HE1 HIS 3 HE1 HIS 3 -17.796 -4.216 -29.597 22 HE2 HIS 3 HE2 HIS 3 -18.113 -2.189 -28.148 23 H HIS 4 H HIS 4 -11.414 -0.381 -27.172 24 HA HIS 4 HA HIS 4 -9.027 -2.124 -27.303 25 HB2 HIS 4 2HB HIS 4 -9.179 0.898 -27.395 26 HB3 HIS 4 1HB HIS 4 -7.683 0.008 -27.129 27 HD1 HIS 4 HD1 HIS 4 -6.676 -1.263 -29.146 28 HD2 HIS 4 HD2 HIS 4 -10.136 0.863 -30.035 29 HE1 HIS 4 HE1 HIS 4 -6.796 -1.194 -31.649 30 HE2 HIS 4 HE2 HIS 4 -8.952 -0.011 -32.165 31 H HIS 5 H HIS 5 -8.901 -3.062 -25.338 32 HA HIS 5 HA HIS 5 -9.546 -1.580 -22.922 33 HB2 HIS 5 2HB HIS 5 -8.627 -4.425 -23.380 34 HB3 HIS 5 1HB HIS 5 -8.902 -3.747 -21.779 35 HD1 HIS 5 HD1 HIS 5 -10.600 -5.458 -24.479 36 HD2 HIS 5 HD2 HIS 5 -11.699 -2.861 -21.431 37 HE1 HIS 5 HE1 HIS 5 -13.083 -5.719 -24.239 38 HE2 HIS 5 HE2 HIS 5 -13.743 -3.985 -22.540 39 H HIS 6 H HIS 6 -8.146 -0.747 -21.479 40 HA HIS 6 HA HIS 6 -5.360 -0.478 -22.237 41 HB2 HIS 6 2HB HIS 6 -6.741 1.418 -21.358 42 HB3 HIS 6 1HB HIS 6 -6.821 0.598 -19.806 43 HD1 HIS 6 HD1 HIS 6 -4.958 1.052 -18.200 44 HD2 HIS 6 HD2 HIS 6 -4.043 2.272 -22.067 45 HE1 HIS 6 HE1 HIS 6 -2.807 2.330 -18.009 46 HE2 HIS 6 HE2 HIS 6 -2.192 2.919 -20.377 47 H HIS 7 H HIS 7 -6.458 -3.111 -21.327 48 HA HIS 7 HA HIS 7 -5.581 -3.666 -18.687 49 HB2 HIS 7 2HB HIS 7 -7.329 -4.973 -19.891 50 HB3 HIS 7 1HB HIS 7 -6.083 -5.622 -20.950 51 HD1 HIS 7 HD1 HIS 7 -7.745 -6.184 -17.749 52 HD2 HIS 7 HD2 HIS 7 -4.175 -7.335 -19.532 53 HE1 HIS 7 HE1 HIS 7 -6.931 -8.143 -16.416 54 HE2 HIS 7 HE2 HIS 7 -4.676 -8.684 -17.384 55 H HIS 8 H HIS 8 -3.407 -2.814 -18.694 56 HA HIS 8 HA HIS 8 -1.461 -4.740 -19.825 57 HB2 HIS 8 2HB HIS 8 -1.008 -1.816 -19.162 58 HB3 HIS 8 1HB HIS 8 0.206 -2.925 -19.795 59 HD1 HIS 8 HD1 HIS 8 -0.019 -3.608 -22.313 60 HD2 HIS 8 HD2 HIS 8 -2.790 -0.790 -21.041 61 HE1 HIS 8 HE1 HIS 8 -1.023 -2.665 -24.407 62 HE2 HIS 8 HE2 HIS 8 -2.551 -0.829 -23.615 63 H SER 9 H SER 9 -2.781 -3.388 -16.988 64 HA SER 9 HA SER 9 -0.527 -4.034 -15.275 65 HB2 SER 9 2HB SER 9 -1.847 -2.091 -14.670 66 HB3 SER 9 1HB SER 9 -3.322 -3.059 -14.627 67 HG SER 9 HG SER 9 -2.696 -2.969 -12.544 68 H HIS 10 H HIS 10 -0.270 -5.855 -14.093 69 HA HIS 10 HA HIS 10 -2.399 -7.896 -14.242 70 HB2 HIS 10 2HB HIS 10 0.569 -8.298 -13.782 71 HB3 HIS 10 1HB HIS 10 -0.638 -9.571 -13.934 72 HD1 HIS 10 HD1 HIS 10 -1.793 -9.764 -16.347 73 HD2 HIS 10 HD2 HIS 10 1.650 -7.446 -16.142 74 HE1 HIS 10 HE1 HIS 10 -1.002 -9.527 -18.713 75 HE2 HIS 10 HE2 HIS 10 1.179 -8.287 -18.539 76 H SER 11 H SER 11 0.083 -6.568 -12.040 77 HA SER 11 HA SER 11 -1.610 -7.280 -9.742 78 HB2 SER 11 2HB SER 11 -0.083 -9.184 -10.047 79 HB3 SER 11 1HB SER 11 1.302 -8.096 -10.012 80 HG SER 11 HG SER 11 1.201 -8.044 -7.911 81 H THR 12 H THR 12 -0.774 -4.703 -11.020 82 HA THR 12 HA THR 12 0.938 -3.540 -8.924 83 HB THR 12 HB THR 12 1.166 -1.570 -10.315 84 HG1 THR 12 HG1 THR 12 -0.341 -2.732 -12.396 85 HG21 THR 12 3HG2 THR 12 1.475 -4.081 -11.972 86 HG22 THR 12 1HG2 THR 12 2.656 -3.444 -10.827 87 HG23 THR 12 2HG2 THR 12 2.263 -2.536 -12.288 88 H ILE 13 H ILE 13 0.281 -1.969 -7.541 89 HA ILE 13 HA ILE 13 -2.541 -1.108 -7.651 90 HB ILE 13 HB ILE 13 -2.280 -0.566 -5.217 91 HG12 ILE 13 2HG1 ILE 13 0.332 -2.083 -5.517 92 HG13 ILE 13 1HG1 ILE 13 0.178 -0.368 -5.154 93 HG21 ILE 13 1HG2 ILE 13 -2.456 -2.888 -4.442 94 HG22 ILE 13 2HG2 ILE 13 -1.801 -3.448 -5.981 95 HG23 ILE 13 3HG2 ILE 13 -3.363 -2.631 -5.935 96 HD11 ILE 13 3HD1 ILE 13 -0.908 -0.931 -3.032 97 HD12 ILE 13 1HD1 ILE 13 0.705 -1.631 -3.168 98 HD13 ILE 13 2HD1 ILE 13 -0.716 -2.646 -3.401 99 H LYS 14 H LYS 14 -3.012 1.104 -7.447 100 HA LYS 14 HA LYS 14 -0.808 2.804 -8.325 101 HB2 LYS 14 2HB LYS 14 -3.800 3.227 -8.377 102 HB3 LYS 14 1HB LYS 14 -2.623 4.398 -8.965 103 HG2 LYS 14 2HG LYS 14 -1.813 2.754 -10.600 104 HG3 LYS 14 1HG LYS 14 -3.012 1.597 -10.024 105 HD2 LYS 14 2HD LYS 14 -3.647 4.295 -11.229 106 HD3 LYS 14 1HD LYS 14 -3.686 2.764 -12.109 107 HE2 LYS 14 2HE LYS 14 -5.408 1.944 -10.531 108 HE3 LYS 14 1HE LYS 14 -5.393 3.518 -9.733 109 HZ1 LYS 14 3HZ LYS 14 -6.089 3.056 -12.584 110 HZ2 LYS 14 1HZ LYS 14 -6.134 4.541 -11.776 111 HZ3 LYS 14 2HZ LYS 14 -7.204 3.306 -11.338 112 H LEU 15 H LEU 15 0.285 3.844 -6.829 113 HA LEU 15 HA LEU 15 -1.024 4.878 -4.418 114 HB2 LEU 15 2HB LEU 15 1.889 4.646 -5.193 115 HB3 LEU 15 1HB LEU 15 1.334 5.402 -3.716 116 HG LEU 15 HG LEU 15 0.333 3.210 -3.033 117 HD11 LEU 15 1HD1 LEU 15 1.083 1.177 -4.169 118 HD12 LEU 15 2HD1 LEU 15 1.838 2.155 -5.427 119 HD13 LEU 15 3HD1 LEU 15 0.088 2.179 -5.223 120 HD21 LEU 15 3HD2 LEU 15 2.475 2.192 -2.423 121 HD22 LEU 15 1HD2 LEU 15 2.495 3.938 -2.185 122 HD23 LEU 15 2HD2 LEU 15 3.298 3.229 -3.589 123 H THR 16 H THR 16 -0.711 7.076 -3.747 124 HA THR 16 HA THR 16 0.079 8.959 -5.891 125 HB THR 16 HB THR 16 -2.209 9.346 -3.937 126 HG1 THR 16 HG1 THR 16 -2.097 8.164 -6.378 127 HG21 THR 16 3HG2 THR 16 -1.110 11.464 -4.482 128 HG22 THR 16 1HG2 THR 16 -2.697 11.376 -5.245 129 HG23 THR 16 2HG2 THR 16 -1.243 11.104 -6.203 130 H VAL 17 H VAL 17 2.094 9.484 -5.100 131 HA VAL 17 HA VAL 17 2.513 10.075 -2.298 132 HB VAL 17 HB VAL 17 4.397 10.450 -4.639 133 HG11 VAL 17 1HG1 VAL 17 6.171 10.498 -2.936 134 HG12 VAL 17 2HG1 VAL 17 4.948 10.435 -1.667 135 HG13 VAL 17 3HG1 VAL 17 5.037 11.833 -2.740 136 HG21 VAL 17 3HG2 VAL 17 3.774 8.119 -4.418 137 HG22 VAL 17 1HG2 VAL 17 4.130 8.156 -2.689 138 HG23 VAL 17 2HG2 VAL 17 5.433 8.342 -3.863 139 H LYS 18 H LYS 18 2.270 12.002 -1.352 140 HA LYS 18 HA LYS 18 1.707 14.334 -3.047 141 HB2 LYS 18 2HB LYS 18 1.117 13.793 -0.132 142 HB3 LYS 18 1HB LYS 18 0.720 15.294 -0.959 143 HG2 LYS 18 2HG LYS 18 -0.779 14.108 -2.457 144 HG3 LYS 18 1HG LYS 18 -0.336 12.569 -1.717 145 HD2 LYS 18 2HD LYS 18 -2.501 13.426 -0.891 146 HD3 LYS 18 1HD LYS 18 -1.307 13.261 0.396 147 HE2 LYS 18 2HE LYS 18 -2.569 15.349 0.600 148 HE3 LYS 18 1HE LYS 18 -0.856 15.654 0.315 149 HZ1 LYS 18 3HZ LYS 18 -3.045 15.829 -1.688 150 HZ2 LYS 18 1HZ LYS 18 -1.402 16.015 -2.044 151 HZ3 LYS 18 2HZ LYS 18 -2.175 17.119 -1.027 152 H PHE 19 H PHE 19 3.605 15.360 -3.511 153 HA PHE 19 HA PHE 19 5.352 16.147 -1.279 154 HB2 PHE 19 2HB PHE 19 5.731 15.949 -4.230 155 HB3 PHE 19 1HB PHE 19 6.634 17.203 -3.390 156 HD1 PHE 19 HD1 PHE 19 7.729 16.275 -1.087 157 HD2 PHE 19 HD2 PHE 19 6.865 13.962 -4.560 158 HE1 PHE 19 HE1 PHE 19 9.453 14.650 -0.429 159 HE2 PHE 19 HE2 PHE 19 8.593 12.338 -3.904 160 HZ PHE 19 HZ PHE 19 9.882 12.676 -1.838 161 H GLY 20 H GLY 20 4.641 17.910 -0.243 162 HA2 GLY 20 2HA GLY 20 3.925 20.058 0.156 163 HA3 GLY 20 1HA GLY 20 4.490 20.454 -1.460 164 H GLY 21 H GLY 21 3.033 20.368 -3.208 165 HA2 GLY 21 2HA GLY 21 0.199 19.827 -2.547 166 HA3 GLY 21 1HA GLY 21 0.653 21.307 -3.378 167 H LYS 22 H LYS 22 2.607 18.708 -4.285 168 HA LYS 22 HA LYS 22 1.205 18.513 -6.861 169 HB2 LYS 22 2HB LYS 22 4.014 17.599 -6.175 170 HB3 LYS 22 1HB LYS 22 3.312 17.741 -7.783 171 HG2 LYS 22 2HG LYS 22 3.937 20.001 -5.886 172 HG3 LYS 22 1HG LYS 22 4.808 19.591 -7.366 173 HD2 LYS 22 2HD LYS 22 2.872 20.153 -8.711 174 HD3 LYS 22 1HD LYS 22 1.902 20.427 -7.263 175 HE2 LYS 22 2HE LYS 22 2.615 22.548 -8.199 176 HE3 LYS 22 1HE LYS 22 3.392 22.290 -6.639 177 HZ1 LYS 22 3HZ LYS 22 5.393 21.588 -7.796 178 HZ2 LYS 22 1HZ LYS 22 4.941 23.144 -8.277 179 HZ3 LYS 22 2HZ LYS 22 4.642 21.828 -9.291 180 H SER 23 H SER 23 1.207 16.380 -7.967 181 HA SER 23 HA SER 23 0.761 14.183 -6.031 182 HB2 SER 23 2HB SER 23 -1.356 14.952 -6.965 183 HB3 SER 23 1HB SER 23 -0.730 14.769 -8.603 184 HG SER 23 HG SER 23 -2.032 12.983 -7.310 185 H ILE 24 H ILE 24 2.161 12.562 -6.241 186 HA ILE 24 HA ILE 24 3.416 12.034 -8.857 187 HB ILE 24 HB ILE 24 4.246 11.006 -6.130 188 HG12 ILE 24 2HG1 ILE 24 4.530 13.450 -6.296 189 HG13 ILE 24 1HG1 ILE 24 6.088 12.632 -6.254 190 HG21 ILE 24 1HG2 ILE 24 6.336 10.359 -7.266 191 HG22 ILE 24 2HG2 ILE 24 5.650 10.882 -8.805 192 HG23 ILE 24 3HG2 ILE 24 4.933 9.524 -7.935 193 HD11 ILE 24 3HD1 ILE 24 6.074 14.461 -7.854 194 HD12 ILE 24 1HD1 ILE 24 4.733 13.711 -8.720 195 HD13 ILE 24 2HD1 ILE 24 6.305 12.913 -8.664 196 HA PRO 25 HA PRO 25 0.594 8.450 -8.646 197 HB2 PRO 25 2HB PRO 25 0.132 8.212 -11.275 198 HB3 PRO 25 1HB PRO 25 -0.605 9.509 -10.326 199 HG2 PRO 25 2HG PRO 25 1.753 9.611 -12.167 200 HG3 PRO 25 1HG PRO 25 0.454 10.795 -11.943 201 HD2 PRO 25 2HD PRO 25 2.985 10.950 -10.795 202 HD3 PRO 25 1HD PRO 25 1.550 11.821 -10.223 203 H LEU 26 H LEU 26 1.844 6.719 -8.043 204 HA LEU 26 HA LEU 26 3.517 5.458 -10.135 205 HB2 LEU 26 2HB LEU 26 4.055 5.496 -7.159 206 HB3 LEU 26 1HB LEU 26 4.993 4.611 -8.346 207 HG LEU 26 HG LEU 26 4.773 7.622 -8.133 208 HD11 LEU 26 1HD1 LEU 26 7.144 7.498 -7.532 209 HD12 LEU 26 2HD1 LEU 26 7.065 5.735 -7.595 210 HD13 LEU 26 3HD1 LEU 26 6.135 6.620 -6.382 211 HD21 LEU 26 3HD2 LEU 26 4.970 6.962 -10.465 212 HD22 LEU 26 1HD2 LEU 26 6.340 5.919 -10.079 213 HD23 LEU 26 2HD2 LEU 26 6.484 7.668 -9.903 214 H SER 27 H SER 27 2.749 3.537 -10.730 215 HA SER 27 HA SER 27 1.072 2.013 -8.845 216 HB2 SER 27 2HB SER 27 0.429 0.675 -10.905 217 HB3 SER 27 1HB SER 27 -0.092 2.359 -10.895 218 HG SER 27 HG SER 27 1.840 1.089 -12.465 219 H VAL 28 H VAL 28 2.530 0.957 -7.590 220 HA VAL 28 HA VAL 28 4.584 -0.721 -8.886 221 HB VAL 28 HB VAL 28 5.710 -0.783 -6.706 222 HG11 VAL 28 1HG1 VAL 28 6.407 1.570 -6.588 223 HG12 VAL 28 2HG1 VAL 28 5.024 2.028 -7.580 224 HG13 VAL 28 3HG1 VAL 28 6.293 1.008 -8.256 225 HG21 VAL 28 3HG2 VAL 28 3.455 1.001 -5.762 226 HG22 VAL 28 1HG2 VAL 28 4.920 0.642 -4.844 227 HG23 VAL 28 2HG2 VAL 28 3.782 -0.649 -5.232 228 H SER 29 H SER 29 5.121 -2.697 -7.272 229 HA SER 29 HA SER 29 2.667 -4.264 -7.114 230 HB2 SER 29 2HB SER 29 4.122 -6.187 -6.720 231 HB3 SER 29 1HB SER 29 4.721 -5.263 -8.098 232 HG SER 29 HG SER 29 6.281 -4.340 -6.723 233 HA PRO 30 HA PRO 30 2.009 -3.611 -2.763 234 HB2 PRO 30 2HB PRO 30 0.726 -5.966 -2.144 235 HB3 PRO 30 1HB PRO 30 -0.052 -4.599 -2.949 236 HG2 PRO 30 2HG PRO 30 1.099 -7.094 -4.151 237 HG3 PRO 30 1HG PRO 30 -0.426 -6.271 -4.531 238 HD2 PRO 30 2HD PRO 30 1.741 -5.989 -6.091 239 HD3 PRO 30 1HD PRO 30 0.628 -4.634 -5.803 240 H ASP 31 H ASP 31 3.865 -6.235 -3.992 241 HA ASP 31 HA ASP 31 4.666 -7.430 -1.545 242 HB2 ASP 31 2HB ASP 31 6.002 -7.429 -4.263 243 HB3 ASP 31 1HB ASP 31 6.465 -8.465 -2.915 244 H CYS 32 H CYS 32 5.796 -4.611 -3.291 245 HA CYS 32 HA CYS 32 8.361 -4.390 -2.115 246 HB2 CYS 32 2HB CYS 32 6.515 -2.317 -3.309 247 HB3 CYS 32 1HB CYS 32 8.107 -1.911 -2.681 248 HG CYS 32 HG CYS 32 9.304 -2.335 -4.886 249 H THR 33 H THR 33 9.109 -3.150 -0.374 250 HA THR 33 HA THR 33 7.179 -2.652 1.763 251 HB THR 33 HB THR 33 9.125 -2.223 3.191 252 HG1 THR 33 HG1 THR 33 11.183 -2.934 1.736 253 HG21 THR 33 3HG2 THR 33 10.165 -4.442 3.118 254 HG22 THR 33 1HG2 THR 33 9.510 -4.704 1.501 255 HG23 THR 33 2HG2 THR 33 8.420 -4.558 2.882 256 H VAL 34 H VAL 34 7.173 -0.587 2.940 257 HA VAL 34 HA VAL 34 7.040 1.683 1.281 258 HB VAL 34 HB VAL 34 6.814 3.020 3.311 259 HG11 VAL 34 1HG1 VAL 34 4.864 1.778 2.538 260 HG12 VAL 34 2HG1 VAL 34 4.873 1.873 4.299 261 HG13 VAL 34 3HG1 VAL 34 5.354 0.377 3.493 262 HG21 VAL 34 3HG2 VAL 34 7.014 1.990 5.538 263 HG22 VAL 34 1HG2 VAL 34 8.551 1.988 4.675 264 HG23 VAL 34 2HG2 VAL 34 7.606 0.504 4.794 265 H LYS 35 H LYS 35 9.720 0.212 2.894 266 HA LYS 35 HA LYS 35 11.540 2.396 2.822 267 HB2 LYS 35 2HB LYS 35 11.899 0.344 4.162 268 HB3 LYS 35 1HB LYS 35 12.127 -0.573 2.683 269 HG2 LYS 35 2HG LYS 35 14.126 0.670 2.157 270 HG3 LYS 35 1HG LYS 35 13.861 1.743 3.533 271 HD2 LYS 35 2HD LYS 35 14.083 -0.220 5.043 272 HD3 LYS 35 1HD LYS 35 14.472 -1.218 3.640 273 HE2 LYS 35 2HE LYS 35 16.494 -0.500 4.839 274 HE3 LYS 35 1HE LYS 35 16.446 0.135 3.196 275 HZ1 LYS 35 3HZ LYS 35 15.557 1.699 5.550 276 HZ2 LYS 35 1HZ LYS 35 15.856 2.265 3.988 277 HZ3 LYS 35 2HZ LYS 35 17.138 1.747 4.955 278 H ASP 36 H ASP 36 10.815 -0.236 0.556 279 HA ASP 36 HA ASP 36 12.682 0.340 -1.438 280 HB2 ASP 36 2HB ASP 36 11.161 -1.677 -1.267 281 HB3 ASP 36 1HB ASP 36 9.859 -0.666 -1.881 282 H LEU 37 H LEU 37 9.459 1.689 -0.851 283 HA LEU 37 HA LEU 37 9.277 3.365 -3.096 284 HB2 LEU 37 2HB LEU 37 8.099 3.604 -0.330 285 HB3 LEU 37 1HB LEU 37 7.736 4.746 -1.613 286 HG LEU 37 HG LEU 37 7.161 1.779 -1.712 287 HD11 LEU 37 1HD1 LEU 37 5.720 2.933 -0.117 288 HD12 LEU 37 2HD1 LEU 37 4.813 2.455 -1.550 289 HD13 LEU 37 3HD1 LEU 37 5.307 4.134 -1.341 290 HD21 LEU 37 3HD2 LEU 37 5.939 2.314 -3.763 291 HD22 LEU 37 1HD2 LEU 37 7.645 2.725 -3.915 292 HD23 LEU 37 2HD2 LEU 37 6.456 3.997 -3.640 293 H LYS 38 H LYS 38 10.447 4.177 0.200 294 HA LYS 38 HA LYS 38 11.159 6.834 -0.347 295 HB2 LYS 38 2HB LYS 38 12.440 4.933 1.635 296 HB3 LYS 38 1HB LYS 38 12.632 6.683 1.638 297 HG2 LYS 38 2HG LYS 38 10.168 6.883 1.954 298 HG3 LYS 38 1HG LYS 38 10.095 5.130 2.120 299 HD2 LYS 38 2HD LYS 38 11.679 6.999 3.895 300 HD3 LYS 38 1HD LYS 38 10.112 6.301 4.293 301 HE2 LYS 38 2HE LYS 38 11.570 4.891 5.402 302 HE3 LYS 38 1HE LYS 38 11.312 4.024 3.891 303 HZ1 LYS 38 3HZ LYS 38 13.635 5.785 4.477 304 HZ2 LYS 38 1HZ LYS 38 13.405 4.873 3.071 305 HZ3 LYS 38 2HZ LYS 38 13.653 4.098 4.552 306 H SER 39 H SER 39 12.827 3.856 -1.088 307 HA SER 39 HA SER 39 15.315 5.076 -1.845 308 HB2 SER 39 2HB SER 39 14.137 2.375 -2.578 309 HB3 SER 39 1HB SER 39 15.785 2.884 -2.950 310 HG SER 39 HG SER 39 15.617 1.623 -1.015 311 H GLN 40 H GLN 40 12.367 4.125 -3.581 312 HA GLN 40 HA GLN 40 13.342 4.734 -6.197 313 HB2 GLN 40 2HB GLN 40 10.545 4.367 -5.115 314 HB3 GLN 40 1HB GLN 40 10.884 4.651 -6.815 315 HG2 GLN 40 2HG GLN 40 12.206 2.592 -6.895 316 HG3 GLN 40 1HG GLN 40 11.866 2.312 -5.189 317 HE21 GLN 40 1HE2 GLN 40 9.121 3.249 -5.375 318 HE22 GLN 40 2HE2 GLN 40 8.245 2.013 -6.196 319 H LEU 41 H LEU 41 11.491 6.578 -3.812 320 HA LEU 41 HA LEU 41 10.882 8.762 -5.549 321 HB2 LEU 41 2HB LEU 41 10.872 8.585 -2.534 322 HB3 LEU 41 1HB LEU 41 10.214 9.926 -3.453 323 HG LEU 41 HG LEU 41 9.207 7.077 -3.620 324 HD11 LEU 41 1HD1 LEU 41 8.757 8.022 -1.424 325 HD12 LEU 41 2HD1 LEU 41 7.270 7.881 -2.359 326 HD13 LEU 41 3HD1 LEU 41 8.045 9.454 -2.168 327 HD21 LEU 41 3HD2 LEU 41 8.826 8.327 -5.673 328 HD22 LEU 41 1HD2 LEU 41 8.108 9.654 -4.759 329 HD23 LEU 41 2HD2 LEU 41 7.307 8.081 -4.814 330 H GLN 42 H GLN 42 13.624 8.044 -3.488 331 HA GLN 42 HA GLN 42 14.532 10.621 -2.953 332 HB2 GLN 42 2HB GLN 42 15.466 8.715 -1.787 333 HB3 GLN 42 1HB GLN 42 16.167 8.097 -3.278 334 HG2 GLN 42 2HG GLN 42 17.661 9.995 -3.414 335 HG3 GLN 42 1HG GLN 42 16.898 10.731 -2.007 336 HE21 GLN 42 1HE2 GLN 42 18.834 10.816 -0.902 337 HE22 GLN 42 2HE2 GLN 42 19.592 9.411 -0.245 338 HA PRO 43 HA PRO 43 17.386 10.469 -6.923 339 HB2 PRO 43 2HB PRO 43 16.391 8.958 -9.003 340 HB3 PRO 43 1HB PRO 43 17.638 8.406 -7.880 341 HG2 PRO 43 2HG PRO 43 14.688 7.873 -7.845 342 HG3 PRO 43 1HG PRO 43 16.031 6.752 -7.548 343 HD2 PRO 43 2HD PRO 43 14.621 7.799 -5.521 344 HD3 PRO 43 1HD PRO 43 16.373 7.536 -5.380 345 H ILE 44 H ILE 44 13.948 10.506 -6.766 346 HA ILE 44 HA ILE 44 13.557 12.110 -9.148 347 HB ILE 44 HB ILE 44 11.607 11.482 -6.916 348 HG12 ILE 44 2HG1 ILE 44 11.976 10.151 -9.619 349 HG13 ILE 44 1HG1 ILE 44 12.406 9.448 -8.065 350 HG21 ILE 44 1HG2 ILE 44 10.991 13.477 -8.215 351 HG22 ILE 44 2HG2 ILE 44 9.868 12.145 -8.493 352 HG23 ILE 44 3HG2 ILE 44 11.090 12.535 -9.705 353 HD11 ILE 44 3HD1 ILE 44 10.066 9.423 -7.413 354 HD12 ILE 44 1HD1 ILE 44 10.312 8.553 -8.926 355 HD13 ILE 44 2HD1 ILE 44 9.620 10.175 -8.945 356 H THR 45 H THR 45 13.178 12.659 -5.632 357 HA THR 45 HA THR 45 13.038 15.569 -6.145 358 HB THR 45 HB THR 45 11.937 15.721 -3.929 359 HG1 THR 45 HG1 THR 45 11.185 13.354 -3.355 360 HG21 THR 45 3HG2 THR 45 10.628 13.713 -5.776 361 HG22 THR 45 1HG2 THR 45 10.612 15.464 -6.008 362 HG23 THR 45 2HG2 THR 45 9.814 14.751 -4.606 363 H ASN 46 H ASN 46 15.213 13.304 -5.054 364 HA ASN 46 HA ASN 46 17.232 13.401 -4.032 365 HB2 ASN 46 2HB ASN 46 16.875 16.400 -4.209 366 HB3 ASN 46 1HB ASN 46 18.390 15.563 -3.883 367 HD21 ASN 46 1HD2 ASN 46 16.086 16.462 -6.280 368 HD22 ASN 46 2HD2 ASN 46 16.983 15.914 -7.651 369 H VAL 47 H VAL 47 14.689 13.503 -2.422 370 HA VAL 47 HA VAL 47 15.574 14.741 0.072 371 HB VAL 47 HB VAL 47 13.067 13.128 -0.490 372 HG11 VAL 47 1HG1 VAL 47 13.632 13.125 1.879 373 HG12 VAL 47 2HG1 VAL 47 12.215 14.134 1.592 374 HG13 VAL 47 3HG1 VAL 47 13.790 14.880 1.867 375 HG21 VAL 47 3HG2 VAL 47 11.909 15.284 -0.578 376 HG22 VAL 47 1HG2 VAL 47 13.148 15.176 -1.829 377 HG23 VAL 47 2HG2 VAL 47 13.446 16.125 -0.372 378 H LEU 48 H LEU 48 16.223 13.620 1.910 379 HA LEU 48 HA LEU 48 17.474 11.100 1.478 380 HB2 LEU 48 2HB LEU 48 16.999 12.600 4.061 381 HB3 LEU 48 1HB LEU 48 18.079 11.231 3.871 382 HG LEU 48 HG LEU 48 18.397 13.948 2.577 383 HD11 LEU 48 1HD1 LEU 48 18.919 13.932 4.962 384 HD12 LEU 48 2HD1 LEU 48 20.375 14.141 3.993 385 HD13 LEU 48 3HD1 LEU 48 20.020 12.575 4.723 386 HD21 LEU 48 3HD2 LEU 48 20.151 11.495 2.366 387 HD22 LEU 48 1HD2 LEU 48 20.542 13.095 1.739 388 HD23 LEU 48 2HD2 LEU 48 19.179 12.197 1.073 389 HA PRO 49 HA PRO 49 14.120 8.310 2.330 390 HB2 PRO 49 2HB PRO 49 15.589 6.152 3.227 391 HB3 PRO 49 1HB PRO 49 15.361 6.568 1.526 392 HG2 PRO 49 2HG PRO 49 17.673 7.182 3.332 393 HG3 PRO 49 1HG PRO 49 17.688 6.627 1.647 394 HD2 PRO 49 2HD PRO 49 18.112 9.200 2.276 395 HD3 PRO 49 1HD PRO 49 17.202 8.749 0.817 396 H ARG 50 H ARG 50 16.518 9.045 4.807 397 HA ARG 50 HA ARG 50 15.009 8.100 7.037 398 HB2 ARG 50 2HB ARG 50 17.415 8.554 7.182 399 HB3 ARG 50 1HB ARG 50 17.129 10.259 6.874 400 HG2 ARG 50 2HG ARG 50 15.794 10.334 8.998 401 HG3 ARG 50 1HG ARG 50 16.330 8.681 9.315 402 HD2 ARG 50 2HD ARG 50 17.736 10.320 10.477 403 HD3 ARG 50 1HD ARG 50 18.658 9.414 9.274 404 HE ARG 50 HE ARG 50 17.580 12.056 8.589 405 HH11 ARG 50 1HH1 ARG 50 20.309 10.031 9.183 406 HH12 ARG 50 2HH1 ARG 50 21.412 11.132 8.435 407 HH21 ARG 50 1HH2 ARG 50 19.007 13.455 7.664 408 HH22 ARG 50 2HH2 ARG 50 20.689 13.057 7.614 409 H GLY 51 H GLY 51 15.330 11.288 5.489 410 HA2 GLY 51 2HA GLY 51 13.529 12.617 7.272 411 HA3 GLY 51 1HA GLY 51 14.129 13.242 5.742 412 H GLN 52 H GLN 52 13.081 10.751 4.376 413 HA GLN 52 HA GLN 52 10.508 11.724 3.678 414 HB2 GLN 52 2HB GLN 52 11.996 9.180 3.055 415 HB3 GLN 52 1HB GLN 52 10.341 9.424 2.512 416 HG2 GLN 52 2HG GLN 52 11.014 11.391 1.254 417 HG3 GLN 52 1HG GLN 52 12.666 11.230 1.848 418 HE21 GLN 52 1HE2 GLN 52 14.007 9.724 0.926 419 HE22 GLN 52 2HE2 GLN 52 13.586 8.815 -0.480 420 H LYS 53 H LYS 53 9.161 11.835 5.445 421 HA LYS 53 HA LYS 53 8.570 9.464 7.029 422 HB2 LYS 53 2HB LYS 53 7.402 12.258 7.060 423 HB3 LYS 53 1HB LYS 53 6.958 10.985 8.189 424 HG2 LYS 53 2HG LYS 53 9.118 10.985 9.179 425 HG3 LYS 53 1HG LYS 53 9.779 11.994 7.888 426 HD2 LYS 53 2HD LYS 53 8.497 13.890 8.611 427 HD3 LYS 53 1HD LYS 53 7.582 12.902 9.751 428 HE2 LYS 53 2HE LYS 53 10.564 13.318 9.946 429 HE3 LYS 53 1HE LYS 53 9.383 14.339 10.766 430 HZ1 LYS 53 3HZ LYS 53 10.202 12.596 12.213 431 HZ2 LYS 53 1HZ LYS 53 9.672 11.412 11.132 432 HZ3 LYS 53 2HZ LYS 53 8.549 12.398 11.919 433 H LEU 54 H LEU 54 7.574 8.010 5.566 434 HA LEU 54 HA LEU 54 5.268 8.748 4.031 435 HB2 LEU 54 2HB LEU 54 6.428 6.074 4.804 436 HB3 LEU 54 1HB LEU 54 4.972 6.227 3.838 437 HG LEU 54 HG LEU 54 7.705 7.270 3.056 438 HD11 LEU 54 1HD1 LEU 54 6.162 4.889 2.026 439 HD12 LEU 54 2HD1 LEU 54 7.614 4.830 3.026 440 HD13 LEU 54 3HD1 LEU 54 7.696 5.486 1.391 441 HD21 LEU 54 3HD2 LEU 54 5.913 8.634 2.127 442 HD22 LEU 54 1HD2 LEU 54 5.115 7.188 1.506 443 HD23 LEU 54 2HD2 LEU 54 6.684 7.676 0.865 444 H ILE 55 H ILE 55 3.613 9.558 5.216 445 HA ILE 55 HA ILE 55 2.596 7.973 7.486 446 HB ILE 55 HB ILE 55 2.024 10.862 6.768 447 HG12 ILE 55 2HG1 ILE 55 3.736 9.701 8.989 448 HG13 ILE 55 1HG1 ILE 55 4.348 10.484 7.536 449 HG21 ILE 55 1HG2 ILE 55 0.950 10.981 8.979 450 HG22 ILE 55 2HG2 ILE 55 1.211 9.250 9.190 451 HG23 ILE 55 3HG2 ILE 55 0.142 9.830 7.915 452 HD11 ILE 55 3HD1 ILE 55 4.424 11.973 9.452 453 HD12 ILE 55 1HD1 ILE 55 2.683 11.802 9.673 454 HD13 ILE 55 2HD1 ILE 55 3.316 12.581 8.223 455 H PHE 56 H PHE 56 0.792 6.826 7.188 456 HA PHE 56 HA PHE 56 -1.203 7.731 5.211 457 HB2 PHE 56 2HB PHE 56 0.145 5.820 4.317 458 HB3 PHE 56 1HB PHE 56 -0.387 4.844 5.679 459 HD1 PHE 56 HD1 PHE 56 -1.954 7.021 3.059 460 HD2 PHE 56 HD2 PHE 56 -2.067 3.348 5.218 461 HE1 PHE 56 HE1 PHE 56 -3.912 6.310 1.749 462 HE2 PHE 56 HE2 PHE 56 -4.021 2.636 3.910 463 HZ PHE 56 HZ PHE 56 -4.946 4.114 2.172 464 H LYS 57 H LYS 57 -3.254 7.806 5.977 465 HA LYS 57 HA LYS 57 -5.027 7.729 7.398 466 HB2 LYS 57 2HB LYS 57 -3.689 5.243 8.500 467 HB3 LYS 57 1HB LYS 57 -5.338 5.746 8.841 468 HG2 LYS 57 2HG LYS 57 -4.257 4.972 6.133 469 HG3 LYS 57 1HG LYS 57 -5.262 3.963 7.174 470 HD2 LYS 57 2HD LYS 57 -7.058 5.673 7.022 471 HD3 LYS 57 1HD LYS 57 -6.051 6.591 5.901 472 HE2 LYS 57 2HE LYS 57 -6.056 4.698 4.344 473 HE3 LYS 57 1HE LYS 57 -7.053 3.776 5.468 474 HZ1 LYS 57 3HZ LYS 57 -8.759 5.538 5.234 475 HZ2 LYS 57 1HZ LYS 57 -8.445 4.706 3.795 476 HZ3 LYS 57 2HZ LYS 57 -7.816 6.258 4.029 477 H GLY 58 H GLY 58 -2.370 9.006 8.166 478 HA2 GLY 58 2HA GLY 58 -1.739 10.362 9.955 479 HA3 GLY 58 1HA GLY 58 -3.031 9.662 10.918 480 H LYS 59 H LYS 59 -1.116 7.321 9.415 481 HA LYS 59 HA LYS 59 0.451 6.878 11.882 482 HB2 LYS 59 2HB LYS 59 -1.269 5.190 11.669 483 HB3 LYS 59 1HB LYS 59 -0.827 4.888 9.994 484 HG2 LYS 59 2HG LYS 59 1.379 4.052 10.777 485 HG3 LYS 59 1HG LYS 59 0.817 4.244 12.441 486 HD2 LYS 59 2HD LYS 59 -0.992 2.655 12.031 487 HD3 LYS 59 1HD LYS 59 -0.492 2.499 10.346 488 HE2 LYS 59 2HE LYS 59 0.317 0.613 11.654 489 HE3 LYS 59 1HE LYS 59 1.665 1.588 11.074 490 HZ1 LYS 59 3HZ LYS 59 0.508 1.753 13.801 491 HZ2 LYS 59 1HZ LYS 59 1.861 2.590 13.234 492 HZ3 LYS 59 2HZ LYS 59 1.915 0.908 13.400 493 H VAL 60 H VAL 60 2.619 6.958 11.602 494 HA VAL 60 HA VAL 60 3.823 6.919 8.998 495 HB VAL 60 HB VAL 60 4.830 8.232 10.801 496 HG11 VAL 60 1HG1 VAL 60 5.439 5.588 12.129 497 HG12 VAL 60 2HG1 VAL 60 4.305 6.807 12.710 498 HG13 VAL 60 3HG1 VAL 60 6.034 7.161 12.658 499 HG21 VAL 60 3HG2 VAL 60 6.267 7.480 8.972 500 HG22 VAL 60 1HG2 VAL 60 6.642 6.000 9.857 501 HG23 VAL 60 2HG2 VAL 60 7.172 7.561 10.483 502 H LEU 61 H LEU 61 4.602 5.208 7.873 503 HA LEU 61 HA LEU 61 4.083 2.565 8.986 504 HB2 LEU 61 2HB LEU 61 4.882 3.386 6.190 505 HB3 LEU 61 1HB LEU 61 4.495 1.751 6.682 506 HG LEU 61 HG LEU 61 2.560 2.536 5.603 507 HD11 LEU 61 1HD1 LEU 61 2.082 2.939 8.557 508 HD12 LEU 61 2HD1 LEU 61 2.072 1.394 7.705 509 HD13 LEU 61 3HD1 LEU 61 0.851 2.611 7.336 510 HD21 LEU 61 3HD2 LEU 61 1.475 4.663 6.063 511 HD22 LEU 61 1HD2 LEU 61 3.141 4.908 5.539 512 HD23 LEU 61 2HD2 LEU 61 2.721 5.060 7.246 513 H VAL 62 H VAL 62 5.543 0.993 9.388 514 HA VAL 62 HA VAL 62 8.291 1.701 9.769 515 HB VAL 62 HB VAL 62 7.026 -1.050 9.908 516 HG11 VAL 62 1HG1 VAL 62 9.579 0.014 11.130 517 HG12 VAL 62 2HG1 VAL 62 9.460 -1.125 9.790 518 HG13 VAL 62 3HG1 VAL 62 8.906 -1.596 11.396 519 HG21 VAL 62 3HG2 VAL 62 6.825 -0.639 12.336 520 HG22 VAL 62 1HG2 VAL 62 5.840 0.470 11.382 521 HG23 VAL 62 2HG2 VAL 62 7.360 1.023 12.084 522 H GLU 63 H GLU 63 10.087 1.101 8.592 523 HA GLU 63 HA GLU 63 9.862 0.917 5.829 524 HB2 GLU 63 2HB GLU 63 12.172 0.243 7.647 525 HB3 GLU 63 1HB GLU 63 12.316 0.313 5.895 526 HG2 GLU 63 2HG GLU 63 11.559 2.678 5.980 527 HG3 GLU 63 1HG GLU 63 11.568 2.578 7.740 528 H THR 64 H THR 64 9.943 -1.678 8.155 529 HA THR 64 HA THR 64 10.553 -3.753 6.236 530 HB THR 64 HB THR 64 10.041 -5.311 8.116 531 HG1 THR 64 HG1 THR 64 9.042 -4.588 9.847 532 HG21 THR 64 3HG2 THR 64 11.892 -3.012 8.794 533 HG22 THR 64 1HG2 THR 64 12.311 -4.450 7.864 534 HG23 THR 64 2HG2 THR 64 11.907 -4.594 9.574 535 H SER 65 H SER 65 7.815 -1.974 6.663 536 HA SER 65 HA SER 65 5.927 -4.206 6.372 537 HB2 SER 65 2HB SER 65 5.384 -1.250 6.771 538 HB3 SER 65 1HB SER 65 4.166 -2.525 6.751 539 HG SER 65 HG SER 65 6.312 -2.772 8.531 540 H THR 66 H THR 66 4.761 -4.601 4.549 541 HA THR 66 HA THR 66 5.547 -3.295 2.081 542 HB THR 66 HB THR 66 4.166 -4.938 0.946 543 HG1 THR 66 HG1 THR 66 3.071 -6.532 2.433 544 HG21 THR 66 3HG2 THR 66 5.201 -7.012 1.716 545 HG22 THR 66 1HG2 THR 66 5.652 -6.240 3.239 546 HG23 THR 66 2HG2 THR 66 6.373 -5.695 1.722 547 H LEU 67 H LEU 67 3.622 -2.897 0.450 548 HA LEU 67 HA LEU 67 2.024 -0.779 1.421 549 HB2 LEU 67 2HB LEU 67 1.772 -2.416 -1.107 550 HB3 LEU 67 1HB LEU 67 0.757 -1.032 -0.752 551 HG LEU 67 HG LEU 67 2.402 -0.193 -2.190 552 HD11 LEU 67 1HD1 LEU 67 3.715 1.363 -0.850 553 HD12 LEU 67 2HD1 LEU 67 3.379 0.414 0.598 554 HD13 LEU 67 3HD1 LEU 67 2.062 1.232 -0.245 555 HD21 LEU 67 3HD2 LEU 67 3.924 -2.095 -2.150 556 HD22 LEU 67 1HD2 LEU 67 4.502 -1.618 -0.555 557 HD23 LEU 67 2HD2 LEU 67 4.804 -0.579 -1.948 558 H LYS 68 H LYS 68 1.264 -4.188 0.807 559 HA LYS 68 HA LYS 68 -1.486 -4.070 1.388 560 HB2 LYS 68 2HB LYS 68 -0.397 -6.001 0.301 561 HB3 LYS 68 1HB LYS 68 0.427 -6.380 1.809 562 HG2 LYS 68 2HG LYS 68 -1.743 -6.769 2.890 563 HG3 LYS 68 1HG LYS 68 -2.555 -6.410 1.365 564 HD2 LYS 68 2HD LYS 68 -1.407 -8.311 0.313 565 HD3 LYS 68 1HD LYS 68 -0.604 -8.670 1.844 566 HE2 LYS 68 2HE LYS 68 -3.584 -8.709 1.353 567 HE3 LYS 68 1HE LYS 68 -2.540 -10.125 1.482 568 HZ1 LYS 68 3HZ LYS 68 -3.647 -9.748 3.559 569 HZ2 LYS 68 1HZ LYS 68 -3.106 -8.146 3.627 570 HZ3 LYS 68 2HZ LYS 68 -2.004 -9.420 3.762 571 H GLN 69 H GLN 69 1.300 -4.752 3.509 572 HA GLN 69 HA GLN 69 -0.177 -5.159 5.885 573 HB2 GLN 69 2HB GLN 69 2.662 -4.174 5.541 574 HB3 GLN 69 1HB GLN 69 1.970 -4.776 7.043 575 HG2 GLN 69 2HG GLN 69 1.676 -6.970 6.082 576 HG3 GLN 69 1HG GLN 69 2.232 -6.392 4.511 577 HE21 GLN 69 1HE2 GLN 69 3.919 -7.866 4.447 578 HE22 GLN 69 2HE2 GLN 69 5.323 -7.708 5.448 579 H SER 70 H SER 70 0.884 -2.252 4.275 580 HA SER 70 HA SER 70 0.170 -0.553 6.541 581 HB2 SER 70 2HB SER 70 0.942 1.306 5.053 582 HB3 SER 70 1HB SER 70 2.170 0.074 5.343 583 HG SER 70 HG SER 70 2.159 -0.418 3.298 584 H ASP 71 H ASP 71 -1.598 -2.103 4.325 585 HA ASP 71 HA ASP 71 -3.761 -1.968 3.685 586 HB2 ASP 71 2HB ASP 71 -3.771 0.516 5.411 587 HB3 ASP 71 1HB ASP 71 -5.207 -0.143 4.633 588 H VAL 72 H VAL 72 -1.438 -0.276 2.422 589 HA VAL 72 HA VAL 72 -2.865 1.716 0.890 590 HB VAL 72 HB VAL 72 -0.063 0.623 0.513 591 HG11 VAL 72 1HG1 VAL 72 0.345 2.638 -0.814 592 HG12 VAL 72 2HG1 VAL 72 -1.340 3.119 -0.618 593 HG13 VAL 72 3HG1 VAL 72 -0.940 1.661 -1.524 594 HG21 VAL 72 3HG2 VAL 72 -0.330 1.665 2.700 595 HG22 VAL 72 1HG2 VAL 72 -1.023 3.104 1.952 596 HG23 VAL 72 2HG2 VAL 72 0.663 2.681 1.657 597 H GLY 73 H GLY 73 -4.291 1.026 -0.614 598 HA2 GLY 73 2HA GLY 73 -3.567 -1.312 -2.284 599 HA3 GLY 73 1HA GLY 73 -5.212 -0.868 -1.867 600 H SER 74 H SER 74 -5.674 -0.970 -4.150 601 HA SER 74 HA SER 74 -4.373 0.695 -6.050 602 HB2 SER 74 2HB SER 74 -6.280 0.139 -7.540 603 HB3 SER 74 1HB SER 74 -5.595 -1.287 -6.766 604 HG SER 74 HG SER 74 -7.947 0.100 -5.966 605 H GLY 75 H GLY 75 -4.287 2.809 -5.313 606 HA2 GLY 75 2HA GLY 75 -5.268 4.964 -5.804 607 HA3 GLY 75 1HA GLY 75 -6.849 4.284 -5.449 608 H ALA 76 H ALA 76 -3.712 4.964 -3.898 609 HA ALA 76 HA ALA 76 -5.155 5.822 -1.476 610 HB1 ALA 76 3HB ALA 76 -4.344 3.533 -1.110 611 HB2 ALA 76 1HB ALA 76 -3.534 4.689 -0.050 612 HB3 ALA 76 2HB ALA 76 -2.702 4.061 -1.473 613 H LYS 77 H LYS 77 -4.526 7.761 -0.759 614 HA LYS 77 HA LYS 77 -2.235 9.081 -1.987 615 HB2 LYS 77 2HB LYS 77 -4.400 10.081 -0.123 616 HB3 LYS 77 1HB LYS 77 -3.114 11.093 -0.767 617 HG2 LYS 77 2HG LYS 77 -3.906 10.793 -3.012 618 HG3 LYS 77 1HG LYS 77 -5.084 9.590 -2.486 619 HD2 LYS 77 2HD LYS 77 -5.082 12.484 -1.614 620 HD3 LYS 77 1HD LYS 77 -6.070 11.833 -2.923 621 HE2 LYS 77 2HE LYS 77 -6.182 10.971 -0.027 622 HE3 LYS 77 1HE LYS 77 -7.347 12.017 -0.837 623 HZ1 LYS 77 3HZ LYS 77 -6.795 9.169 -1.467 624 HZ2 LYS 77 1HZ LYS 77 -7.832 10.165 -2.355 625 HZ3 LYS 77 2HZ LYS 77 -8.190 9.793 -0.748 626 H LEU 78 H LEU 78 -0.284 9.141 -1.076 627 HA LEU 78 HA LEU 78 0.021 8.400 1.746 628 HB2 LEU 78 2HB LEU 78 2.099 8.695 -0.431 629 HB3 LEU 78 1HB LEU 78 2.401 8.108 1.195 630 HG LEU 78 HG LEU 78 0.687 6.734 -0.889 631 HD11 LEU 78 1HD1 LEU 78 3.412 6.043 0.208 632 HD12 LEU 78 2HD1 LEU 78 3.052 6.607 -1.423 633 HD13 LEU 78 3HD1 LEU 78 2.459 5.036 -0.882 634 HD21 LEU 78 3HD2 LEU 78 -0.158 6.341 1.368 635 HD22 LEU 78 1HD2 LEU 78 1.451 5.847 1.896 636 HD23 LEU 78 2HD2 LEU 78 0.578 4.882 0.706 637 H MET 79 H MET 79 0.176 9.986 3.215 638 HA MET 79 HA MET 79 0.943 12.678 2.511 639 HB2 MET 79 2HB MET 79 -0.727 12.245 4.282 640 HB3 MET 79 1HB MET 79 0.498 11.423 5.239 641 HG2 MET 79 2HG MET 79 1.773 13.529 5.370 642 HG3 MET 79 1HG MET 79 0.490 14.340 4.474 643 HE1 MET 79 3HE MET 79 -2.107 12.911 5.700 644 HE2 MET 79 1HE MET 79 -2.004 14.652 5.428 645 HE3 MET 79 2HE MET 79 -2.526 14.035 6.996 646 H LEU 80 H LEU 80 3.059 12.422 1.682 647 HA LEU 80 HA LEU 80 5.128 11.302 3.389 648 HB2 LEU 80 2HB LEU 80 5.208 10.886 0.982 649 HB3 LEU 80 1HB LEU 80 5.283 12.610 0.663 650 HG LEU 80 HG LEU 80 7.503 12.757 1.613 651 HD11 LEU 80 1HD1 LEU 80 8.687 10.788 2.459 652 HD12 LEU 80 2HD1 LEU 80 7.218 9.828 2.283 653 HD13 LEU 80 3HD1 LEU 80 7.267 11.161 3.437 654 HD21 LEU 80 3HD2 LEU 80 7.323 12.060 -0.725 655 HD22 LEU 80 1HD2 LEU 80 7.296 10.368 -0.222 656 HD23 LEU 80 2HD2 LEU 80 8.738 11.350 0.052 657 H MET 81 H MET 81 5.509 12.573 5.118 658 HA MET 81 HA MET 81 5.653 15.457 4.897 659 HB2 MET 81 2HB MET 81 4.682 14.373 6.885 660 HB3 MET 81 1HB MET 81 6.234 13.631 7.245 661 HG2 MET 81 2HG MET 81 7.220 15.831 7.596 662 HG3 MET 81 1HG MET 81 5.677 16.592 7.202 663 HE1 MET 81 3HE MET 81 5.826 17.949 9.538 664 HE2 MET 81 1HE MET 81 7.359 17.142 9.866 665 HE3 MET 81 2HE MET 81 6.090 17.148 11.089 666 H ALA 82 H ALA 82 7.393 16.187 3.814 667 HA ALA 82 HA ALA 82 10.067 15.365 4.762 668 HB1 ALA 82 3HB ALA 82 9.309 15.905 1.886 669 HB2 ALA 82 1HB ALA 82 9.601 14.314 2.593 670 HB3 ALA 82 2HB ALA 82 10.916 15.485 2.481 671 H SER 83 H SER 83 11.790 16.989 4.105 672 HA SER 83 HA SER 83 10.753 19.716 4.549 673 HB2 SER 83 2HB SER 83 13.549 18.645 5.037 674 HB3 SER 83 1HB SER 83 12.969 20.260 5.444 675 HG SER 83 HG SER 83 11.797 19.454 7.072 676 H GLN 84 H GLN 84 11.073 21.288 3.081 677 HA GLN 84 HA GLN 84 12.229 20.745 0.526 678 HB2 GLN 84 2HB GLN 84 11.871 23.198 0.126 679 HB3 GLN 84 1HB GLN 84 10.432 22.332 0.648 680 HG2 GLN 84 2HG GLN 84 10.708 23.186 2.909 681 HG3 GLN 84 1HG GLN 84 12.194 24.006 2.437 682 HE21 GLN 84 1HE2 GLN 84 11.329 25.994 3.067 683 HE22 GLN 84 2HE2 GLN 84 10.143 26.815 2.118 684 H GLY 85 H GLY 85 13.442 22.113 3.483 685 HA2 GLY 85 2HA GLY 85 16.134 21.736 2.900 686 HA3 GLY 85 1HA GLY 85 15.762 23.390 2.437 Start of MODEL 13 1 H1 MET 1 1H MET 1 -23.947 0.637 -31.252 2 H2 MET 1 2H MET 1 -22.812 1.653 -30.522 3 H3 MET 1 3H MET 1 -24.426 1.681 -30.009 4 HA MET 1 HA MET 1 -23.041 0.499 -28.437 5 HB2 MET 1 2HB MET 1 -25.437 -0.131 -28.851 6 HB3 MET 1 1HB MET 1 -24.877 -1.379 -29.951 7 HG2 MET 1 2HG MET 1 -24.168 -1.239 -27.027 8 HG3 MET 1 1HG MET 1 -25.480 -2.206 -27.696 9 HE1 MET 1 3HE MET 1 -25.127 -4.295 -29.290 10 HE2 MET 1 1HE MET 1 -23.550 -4.823 -29.876 11 HE3 MET 1 2HE MET 1 -24.221 -3.288 -30.419 12 H GLY 2 H GLY 2 -21.230 -0.670 -28.112 13 HA2 GLY 2 2HA GLY 2 -20.450 -2.809 -29.905 14 HA3 GLY 2 1HA GLY 2 -19.407 -1.397 -29.977 15 H HIS 3 H HIS 3 -18.304 -3.772 -29.249 16 HA HIS 3 HA HIS 3 -18.286 -4.196 -26.426 17 HB2 HIS 3 2HB HIS 3 -17.669 -5.955 -28.072 18 HB3 HIS 3 1HB HIS 3 -16.216 -5.046 -28.474 19 HD1 HIS 3 HD1 HIS 3 -14.341 -4.948 -26.633 20 HD2 HIS 3 HD2 HIS 3 -17.521 -7.472 -25.751 21 HE1 HIS 3 HE1 HIS 3 -13.574 -6.343 -24.697 22 HE2 HIS 3 HE2 HIS 3 -15.426 -8.002 -24.323 23 H HIS 4 H HIS 4 -17.980 -1.973 -25.723 24 HA HIS 4 HA HIS 4 -15.277 -0.877 -26.108 25 HB2 HIS 4 2HB HIS 4 -17.281 0.533 -26.632 26 HB3 HIS 4 1HB HIS 4 -17.710 0.481 -24.927 27 HD1 HIS 4 HD1 HIS 4 -17.081 2.596 -23.827 28 HD2 HIS 4 HD2 HIS 4 -14.336 1.529 -26.758 29 HE1 HIS 4 HE1 HIS 4 -15.339 4.401 -23.808 30 HE2 HIS 4 HE2 HIS 4 -13.793 3.822 -25.699 31 H HIS 5 H HIS 5 -17.177 -2.467 -23.745 32 HA HIS 5 HA HIS 5 -15.752 -1.515 -21.439 33 HB2 HIS 5 2HB HIS 5 -16.821 -3.453 -20.271 34 HB3 HIS 5 1HB HIS 5 -17.962 -2.401 -21.097 35 HD1 HIS 5 HD1 HIS 5 -19.414 -3.434 -22.888 36 HD2 HIS 5 HD2 HIS 5 -16.469 -6.021 -21.510 37 HE1 HIS 5 HE1 HIS 5 -19.978 -5.672 -23.864 38 HE2 HIS 5 HE2 HIS 5 -18.322 -7.251 -22.831 39 H HIS 6 H HIS 6 -13.822 -2.153 -20.667 40 HA HIS 6 HA HIS 6 -12.627 -4.664 -21.622 41 HB2 HIS 6 2HB HIS 6 -11.895 -2.772 -23.100 42 HB3 HIS 6 1HB HIS 6 -11.180 -1.998 -21.692 43 HD1 HIS 6 HD1 HIS 6 -10.671 -4.758 -24.124 44 HD2 HIS 6 HD2 HIS 6 -8.773 -3.184 -20.784 45 HE1 HIS 6 HE1 HIS 6 -8.387 -5.786 -24.109 46 HE2 HIS 6 HE2 HIS 6 -7.197 -4.673 -22.196 47 H HIS 7 H HIS 7 -11.393 -5.714 -20.097 48 HA HIS 7 HA HIS 7 -10.495 -4.302 -17.701 49 HB2 HIS 7 2HB HIS 7 -12.761 -4.893 -17.080 50 HB3 HIS 7 1HB HIS 7 -12.527 -6.550 -17.626 51 HD1 HIS 7 HD1 HIS 7 -11.817 -8.181 -15.886 52 HD2 HIS 7 HD2 HIS 7 -11.124 -4.260 -14.708 53 HE1 HIS 7 HE1 HIS 7 -11.049 -8.323 -13.503 54 HE2 HIS 7 HE2 HIS 7 -10.805 -5.935 -12.762 55 H HIS 8 H HIS 8 -8.644 -5.166 -16.855 56 HA HIS 8 HA HIS 8 -7.953 -7.966 -17.360 57 HB2 HIS 8 2HB HIS 8 -5.825 -7.524 -18.351 58 HB3 HIS 8 1HB HIS 8 -6.987 -6.552 -19.246 59 HD1 HIS 8 HD1 HIS 8 -3.909 -6.325 -17.261 60 HD2 HIS 8 HD2 HIS 8 -6.851 -3.719 -18.616 61 HE1 HIS 8 HE1 HIS 8 -2.954 -4.028 -16.972 62 HE2 HIS 8 HE2 HIS 8 -4.809 -2.468 -17.629 63 H SER 9 H SER 9 -6.409 -8.817 -15.882 64 HA SER 9 HA SER 9 -6.203 -7.534 -13.335 65 HB2 SER 9 2HB SER 9 -4.662 -9.928 -14.395 66 HB3 SER 9 1HB SER 9 -4.794 -9.455 -12.701 67 HG SER 9 HG SER 9 -6.513 -10.662 -12.688 68 H HIS 10 H HIS 10 -4.121 -7.025 -12.218 69 HA HIS 10 HA HIS 10 -1.899 -6.284 -13.957 70 HB2 HIS 10 2HB HIS 10 -1.917 -3.930 -13.350 71 HB3 HIS 10 1HB HIS 10 -3.448 -4.362 -14.102 72 HD1 HIS 10 HD1 HIS 10 -5.534 -4.581 -12.451 73 HD2 HIS 10 HD2 HIS 10 -2.107 -2.905 -10.808 74 HE1 HIS 10 HE1 HIS 10 -6.282 -3.455 -10.344 75 HE2 HIS 10 HE2 HIS 10 -4.156 -2.683 -9.252 76 H SER 11 H SER 11 0.017 -5.602 -12.809 77 HA SER 11 HA SER 11 0.187 -6.800 -10.125 78 HB2 SER 11 2HB SER 11 1.800 -7.709 -11.646 79 HB3 SER 11 1HB SER 11 2.293 -6.103 -12.185 80 HG SER 11 HG SER 11 3.248 -7.559 -10.141 81 H THR 12 H THR 12 0.612 -3.747 -11.770 82 HA THR 12 HA THR 12 1.967 -2.519 -9.490 83 HB THR 12 HB THR 12 2.176 -0.530 -10.957 84 HG1 THR 12 HG1 THR 12 0.202 -1.081 -12.206 85 HG21 THR 12 3HG2 THR 12 3.071 -3.112 -12.258 86 HG22 THR 12 1HG2 THR 12 3.931 -2.245 -10.984 87 HG23 THR 12 2HG2 THR 12 3.734 -1.509 -12.575 88 H ILE 13 H ILE 13 0.708 -1.779 -7.874 89 HA ILE 13 HA ILE 13 -1.926 -0.679 -8.338 90 HB ILE 13 HB ILE 13 -1.976 -0.196 -5.942 91 HG12 ILE 13 2HG1 ILE 13 0.892 -1.196 -5.878 92 HG13 ILE 13 1HG1 ILE 13 0.402 0.481 -5.679 93 HG21 ILE 13 1HG2 ILE 13 -1.771 -2.489 -5.097 94 HG22 ILE 13 2HG2 ILE 13 -0.846 -2.936 -6.532 95 HG23 ILE 13 3HG2 ILE 13 -2.536 -2.452 -6.686 96 HD11 ILE 13 3HD1 ILE 13 0.917 -0.573 -3.553 97 HD12 ILE 13 1HD1 ILE 13 -0.328 -1.787 -3.843 98 HD13 ILE 13 2HD1 ILE 13 -0.780 -0.095 -3.636 99 H LYS 14 H LYS 14 -2.522 1.471 -8.323 100 HA LYS 14 HA LYS 14 -0.376 3.389 -8.795 101 HB2 LYS 14 2HB LYS 14 -3.375 3.622 -9.128 102 HB3 LYS 14 1HB LYS 14 -2.229 4.899 -9.519 103 HG2 LYS 14 2HG LYS 14 -1.184 3.464 -11.194 104 HG3 LYS 14 1HG LYS 14 -2.313 2.167 -10.798 105 HD2 LYS 14 2HD LYS 14 -4.187 3.559 -11.522 106 HD3 LYS 14 1HD LYS 14 -3.077 4.887 -11.874 107 HE2 LYS 14 2HE LYS 14 -1.969 3.513 -13.574 108 HE3 LYS 14 1HE LYS 14 -3.062 2.177 -13.217 109 HZ1 LYS 14 3HZ LYS 14 -4.915 3.523 -13.953 110 HZ2 LYS 14 1HZ LYS 14 -3.751 3.424 -15.176 111 HZ3 LYS 14 2HZ LYS 14 -3.889 4.831 -14.255 112 H LEU 15 H LEU 15 0.445 4.421 -7.101 113 HA LEU 15 HA LEU 15 -1.305 5.146 -4.840 114 HB2 LEU 15 2HB LEU 15 1.716 4.999 -4.949 115 HB3 LEU 15 1HB LEU 15 0.755 5.362 -3.527 116 HG LEU 15 HG LEU 15 0.788 2.725 -5.011 117 HD11 LEU 15 1HD1 LEU 15 2.827 3.101 -3.742 118 HD12 LEU 15 2HD1 LEU 15 1.840 1.855 -2.977 119 HD13 LEU 15 3HD1 LEU 15 1.883 3.486 -2.302 120 HD21 LEU 15 3HD2 LEU 15 -0.609 1.909 -3.156 121 HD22 LEU 15 1HD2 LEU 15 -1.418 3.162 -4.098 122 HD23 LEU 15 2HD2 LEU 15 -0.716 3.554 -2.527 123 H THR 16 H THR 16 -1.390 7.264 -4.081 124 HA THR 16 HA THR 16 -0.184 9.313 -5.845 125 HB THR 16 HB THR 16 -2.703 9.505 -4.168 126 HG1 THR 16 HG1 THR 16 -2.287 8.519 -6.605 127 HG21 THR 16 3HG2 THR 16 -3.029 11.681 -5.296 128 HG22 THR 16 1HG2 THR 16 -1.436 11.527 -6.033 129 HG23 THR 16 2HG2 THR 16 -1.585 11.672 -4.280 130 H VAL 17 H VAL 17 1.593 10.113 -4.918 131 HA VAL 17 HA VAL 17 1.839 10.277 -2.016 132 HB VAL 17 HB VAL 17 3.834 10.951 -4.198 133 HG11 VAL 17 1HG1 VAL 17 4.309 12.177 -2.138 134 HG12 VAL 17 2HG1 VAL 17 5.513 10.916 -2.408 135 HG13 VAL 17 3HG1 VAL 17 4.236 10.676 -1.215 136 HG21 VAL 17 3HG2 VAL 17 3.227 8.573 -4.142 137 HG22 VAL 17 1HG2 VAL 17 3.614 8.515 -2.423 138 HG23 VAL 17 2HG2 VAL 17 4.888 8.823 -3.603 139 H LYS 18 H LYS 18 1.367 12.049 -0.893 140 HA LYS 18 HA LYS 18 0.855 14.572 -2.256 141 HB2 LYS 18 2HB LYS 18 0.312 13.599 0.551 142 HB3 LYS 18 1HB LYS 18 0.041 15.263 0.062 143 HG2 LYS 18 2HG LYS 18 -1.660 14.636 -1.470 144 HG3 LYS 18 1HG LYS 18 -1.257 12.925 -1.319 145 HD2 LYS 18 2HD LYS 18 -3.308 13.592 -0.067 146 HD3 LYS 18 1HD LYS 18 -2.059 12.866 0.947 147 HE2 LYS 18 2HE LYS 18 -3.058 14.794 2.054 148 HE3 LYS 18 1HE LYS 18 -1.363 15.101 1.686 149 HZ1 LYS 18 3HZ LYS 18 -2.023 16.447 -0.181 150 HZ2 LYS 18 1HZ LYS 18 -2.811 17.001 1.207 151 HZ3 LYS 18 2HZ LYS 18 -3.654 16.080 0.066 152 H PHE 19 H PHE 19 2.909 15.442 -2.689 153 HA PHE 19 HA PHE 19 4.706 16.082 -0.512 154 HB2 PHE 19 2HB PHE 19 4.595 16.737 -3.436 155 HB3 PHE 19 1HB PHE 19 5.553 17.774 -2.391 156 HD1 PHE 19 HD1 PHE 19 7.446 16.794 -1.090 157 HD2 PHE 19 HD2 PHE 19 5.395 14.605 -4.115 158 HE1 PHE 19 HE1 PHE 19 9.341 15.233 -1.244 159 HE2 PHE 19 HE2 PHE 19 7.289 13.040 -4.268 160 HZ PHE 19 HZ PHE 19 9.264 13.354 -2.833 161 H GLY 20 H GLY 20 2.815 16.927 0.772 162 HA2 GLY 20 2HA GLY 20 1.677 18.700 1.714 163 HA3 GLY 20 1HA GLY 20 2.637 19.777 0.707 164 H GLY 21 H GLY 21 1.831 20.462 -1.277 165 HA2 GLY 21 2HA GLY 21 -1.052 20.027 -1.695 166 HA3 GLY 21 1HA GLY 21 -0.092 21.326 -2.385 167 H LYS 22 H LYS 22 2.047 19.411 -3.200 168 HA LYS 22 HA LYS 22 1.012 18.812 -5.813 169 HB2 LYS 22 2HB LYS 22 3.674 18.082 -4.564 170 HB3 LYS 22 1HB LYS 22 3.281 17.954 -6.274 171 HG2 LYS 22 2HG LYS 22 3.374 20.517 -4.679 172 HG3 LYS 22 1HG LYS 22 4.627 19.940 -5.778 173 HD2 LYS 22 2HD LYS 22 3.001 20.046 -7.644 174 HD3 LYS 22 1HD LYS 22 1.790 20.683 -6.529 175 HE2 LYS 22 2HE LYS 22 4.433 21.996 -7.187 176 HE3 LYS 22 1HE LYS 22 2.866 22.462 -7.850 177 HZ1 LYS 22 3HZ LYS 22 2.122 23.039 -5.639 178 HZ2 LYS 22 1HZ LYS 22 3.550 23.875 -5.997 179 HZ3 LYS 22 2HZ LYS 22 3.591 22.533 -4.971 180 H SER 23 H SER 23 0.491 16.846 -6.724 181 HA SER 23 HA SER 23 0.519 14.487 -4.936 182 HB2 SER 23 2HB SER 23 -1.484 13.692 -6.222 183 HB3 SER 23 1HB SER 23 -1.771 15.170 -5.305 184 HG SER 23 HG SER 23 -1.326 14.904 -8.097 185 H ILE 24 H ILE 24 2.171 13.243 -5.572 186 HA ILE 24 HA ILE 24 2.926 13.055 -8.385 187 HB ILE 24 HB ILE 24 4.239 11.803 -5.963 188 HG12 ILE 24 2HG1 ILE 24 4.247 14.253 -5.797 189 HG13 ILE 24 1HG1 ILE 24 5.868 13.648 -6.116 190 HG21 ILE 24 1HG2 ILE 24 6.204 11.575 -7.433 191 HG22 ILE 24 2HG2 ILE 24 5.246 12.178 -8.787 192 HG23 ILE 24 3HG2 ILE 24 4.822 10.648 -8.016 193 HD11 ILE 24 3HD1 ILE 24 4.011 14.855 -8.154 194 HD12 ILE 24 1HD1 ILE 24 5.648 14.273 -8.458 195 HD13 ILE 24 2HD1 ILE 24 5.387 15.656 -7.396 196 HA PRO 25 HA PRO 25 0.622 9.134 -8.584 197 HB2 PRO 25 2HB PRO 25 1.184 9.223 -11.451 198 HB3 PRO 25 1HB PRO 25 -0.368 9.343 -10.621 199 HG2 PRO 25 2HG PRO 25 0.775 11.440 -11.920 200 HG3 PRO 25 1HG PRO 25 -0.279 11.637 -10.509 201 HD2 PRO 25 2HD PRO 25 2.722 11.698 -10.655 202 HD3 PRO 25 1HD PRO 25 1.618 12.757 -9.747 203 H LEU 26 H LEU 26 1.603 7.265 -8.091 204 HA LEU 26 HA LEU 26 3.978 6.418 -9.633 205 HB2 LEU 26 2HB LEU 26 3.491 6.007 -6.674 206 HB3 LEU 26 1HB LEU 26 4.821 5.309 -7.579 207 HG LEU 26 HG LEU 26 4.382 8.271 -7.129 208 HD11 LEU 26 1HD1 LEU 26 6.335 8.124 -5.667 209 HD12 LEU 26 2HD1 LEU 26 6.385 6.377 -5.900 210 HD13 LEU 26 3HD1 LEU 26 5.012 7.118 -5.077 211 HD21 LEU 26 3HD2 LEU 26 6.615 8.535 -8.091 212 HD22 LEU 26 1HD2 LEU 26 5.504 7.809 -9.253 213 HD23 LEU 26 2HD2 LEU 26 6.690 6.802 -8.418 214 H SER 27 H SER 27 4.208 4.123 -9.916 215 HA SER 27 HA SER 27 1.886 2.487 -9.156 216 HB2 SER 27 2HB SER 27 1.972 1.418 -11.460 217 HB3 SER 27 1HB SER 27 1.355 3.068 -11.406 218 HG SER 27 HG SER 27 3.643 2.065 -12.582 219 H VAL 28 H VAL 28 2.741 1.037 -7.820 220 HA VAL 28 HA VAL 28 5.095 -0.524 -8.682 221 HB VAL 28 HB VAL 28 6.012 -0.492 -6.394 222 HG11 VAL 28 1HG1 VAL 28 6.895 1.114 -7.980 223 HG12 VAL 28 2HG1 VAL 28 6.835 1.835 -6.372 224 HG13 VAL 28 3HG1 VAL 28 5.617 2.260 -7.576 225 HG21 VAL 28 3HG2 VAL 28 5.159 1.098 -4.723 226 HG22 VAL 28 1HG2 VAL 28 3.942 -0.104 -5.152 227 HG23 VAL 28 2HG2 VAL 28 3.839 1.530 -5.808 228 H SER 29 H SER 29 5.375 -2.455 -6.977 229 HA SER 29 HA SER 29 2.790 -3.802 -6.870 230 HB2 SER 29 2HB SER 29 5.597 -4.783 -6.285 231 HB3 SER 29 1HB SER 29 4.158 -5.789 -6.131 232 HG SER 29 HG SER 29 3.838 -5.697 -8.298 233 HA PRO 30 HA PRO 30 1.979 -2.786 -2.616 234 HB2 PRO 30 2HB PRO 30 0.230 -4.808 -2.022 235 HB3 PRO 30 1HB PRO 30 -0.207 -3.389 -2.983 236 HG2 PRO 30 2HG PRO 30 0.580 -6.136 -3.907 237 HG3 PRO 30 1HG PRO 30 -0.741 -5.100 -4.484 238 HD2 PRO 30 2HD PRO 30 1.579 -5.312 -5.830 239 HD3 PRO 30 1HD PRO 30 0.683 -3.780 -5.758 240 H ASP 31 H ASP 31 3.152 -5.930 -3.552 241 HA ASP 31 HA ASP 31 3.661 -7.005 -0.982 242 HB2 ASP 31 2HB ASP 31 5.003 -7.596 -3.636 243 HB3 ASP 31 1HB ASP 31 5.098 -8.604 -2.192 244 H CYS 32 H CYS 32 5.206 -4.498 -2.699 245 HA CYS 32 HA CYS 32 7.855 -4.843 -1.627 246 HB2 CYS 32 2HB CYS 32 6.588 -2.432 -2.952 247 HB3 CYS 32 1HB CYS 32 8.308 -2.639 -2.626 248 HG CYS 32 HG CYS 32 8.361 -3.181 -5.212 249 H THR 33 H THR 33 8.916 -3.349 -0.178 250 HA THR 33 HA THR 33 7.197 -2.542 2.034 251 HB THR 33 HB THR 33 9.277 -2.133 3.278 252 HG1 THR 33 HG1 THR 33 11.250 -2.941 2.045 253 HG21 THR 33 3HG2 THR 33 10.130 -4.434 3.325 254 HG22 THR 33 1HG2 THR 33 9.294 -4.779 1.809 255 HG23 THR 33 2HG2 THR 33 8.368 -4.407 3.264 256 H VAL 34 H VAL 34 7.327 -0.431 3.042 257 HA VAL 34 HA VAL 34 7.426 1.771 1.261 258 HB VAL 34 HB VAL 34 7.272 3.215 3.231 259 HG11 VAL 34 1HG1 VAL 34 5.233 2.143 2.415 260 HG12 VAL 34 2HG1 VAL 34 5.180 2.326 4.169 261 HG13 VAL 34 3HG1 VAL 34 5.532 0.752 3.457 262 HG21 VAL 34 3HG2 VAL 34 7.295 2.294 5.501 263 HG22 VAL 34 1HG2 VAL 34 8.844 2.039 4.694 264 HG23 VAL 34 2HG2 VAL 34 7.704 0.702 4.858 265 H LYS 35 H LYS 35 9.866 0.134 3.094 266 HA LYS 35 HA LYS 35 11.978 2.002 2.903 267 HB2 LYS 35 2HB LYS 35 12.003 -0.126 4.240 268 HB3 LYS 35 1HB LYS 35 12.155 -1.021 2.735 269 HG2 LYS 35 2HG LYS 35 14.286 0.249 2.309 270 HG3 LYS 35 1HG LYS 35 14.148 0.887 3.951 271 HD2 LYS 35 2HD LYS 35 14.029 -1.523 4.738 272 HD3 LYS 35 1HD LYS 35 14.487 -1.993 3.099 273 HE2 LYS 35 2HE LYS 35 16.461 -1.947 4.463 274 HE3 LYS 35 1HE LYS 35 16.535 -0.589 3.339 275 HZ1 LYS 35 3HZ LYS 35 15.800 0.879 5.092 276 HZ2 LYS 35 1HZ LYS 35 17.176 0.035 5.601 277 HZ3 LYS 35 2HZ LYS 35 15.649 -0.416 6.170 278 H ASP 36 H ASP 36 10.973 -0.660 0.757 279 HA ASP 36 HA ASP 36 12.788 -0.247 -1.328 280 HB2 ASP 36 2HB ASP 36 11.227 -2.214 -1.012 281 HB3 ASP 36 1HB ASP 36 9.924 -1.201 -1.625 282 H LEU 37 H LEU 37 9.629 1.254 -0.695 283 HA LEU 37 HA LEU 37 9.457 2.867 -2.979 284 HB2 LEU 37 2HB LEU 37 8.419 3.205 -0.177 285 HB3 LEU 37 1HB LEU 37 8.159 4.446 -1.391 286 HG LEU 37 HG LEU 37 7.208 1.579 -1.564 287 HD11 LEU 37 1HD1 LEU 37 5.667 4.150 -1.182 288 HD12 LEU 37 2HD1 LEU 37 5.956 2.924 0.053 289 HD13 LEU 37 3HD1 LEU 37 4.975 2.537 -1.358 290 HD21 LEU 37 3HD2 LEU 37 6.788 3.893 -3.463 291 HD22 LEU 37 1HD2 LEU 37 6.060 2.290 -3.605 292 HD23 LEU 37 2HD2 LEU 37 7.808 2.486 -3.763 293 H LYS 38 H LYS 38 10.928 3.660 0.196 294 HA LYS 38 HA LYS 38 11.881 6.210 -0.413 295 HB2 LYS 38 2HB LYS 38 13.225 4.093 1.294 296 HB3 LYS 38 1HB LYS 38 13.627 5.804 1.301 297 HG2 LYS 38 2HG LYS 38 11.469 6.370 2.203 298 HG3 LYS 38 1HG LYS 38 10.925 4.696 2.049 299 HD2 LYS 38 2HD LYS 38 12.720 4.023 3.640 300 HD3 LYS 38 1HD LYS 38 13.125 5.727 3.853 301 HE2 LYS 38 2HE LYS 38 10.391 4.576 4.411 302 HE3 LYS 38 1HE LYS 38 11.648 4.729 5.634 303 HZ1 LYS 38 3HZ LYS 38 11.646 7.110 5.306 304 HZ2 LYS 38 1HZ LYS 38 10.092 6.575 5.690 305 HZ3 LYS 38 2HZ LYS 38 10.474 6.983 4.095 306 H SER 39 H SER 39 13.436 3.068 -0.936 307 HA SER 39 HA SER 39 15.817 3.920 -2.139 308 HB2 SER 39 2HB SER 39 15.591 1.634 -1.436 309 HB3 SER 39 1HB SER 39 14.199 1.385 -2.486 310 HG SER 39 HG SER 39 15.624 0.687 -3.848 311 H GLN 40 H GLN 40 12.597 3.546 -3.488 312 HA GLN 40 HA GLN 40 13.486 3.910 -6.225 313 HB2 GLN 40 2HB GLN 40 10.750 3.661 -4.973 314 HB3 GLN 40 1HB GLN 40 10.991 3.942 -6.693 315 HG2 GLN 40 2HG GLN 40 12.176 1.853 -6.913 316 HG3 GLN 40 1HG GLN 40 12.090 1.582 -5.174 317 HE21 GLN 40 1HE2 GLN 40 9.354 2.512 -4.938 318 HE22 GLN 40 2HE2 GLN 40 8.368 1.275 -5.617 319 H LEU 41 H LEU 41 12.041 5.916 -3.710 320 HA LEU 41 HA LEU 41 11.389 8.103 -5.425 321 HB2 LEU 41 2HB LEU 41 11.757 7.979 -2.433 322 HB3 LEU 41 1HB LEU 41 11.149 9.382 -3.292 323 HG LEU 41 HG LEU 41 9.811 6.669 -3.201 324 HD11 LEU 41 1HD1 LEU 41 9.694 7.825 -1.053 325 HD12 LEU 41 2HD1 LEU 41 8.114 7.782 -1.833 326 HD13 LEU 41 3HD1 LEU 41 9.064 9.267 -1.852 327 HD21 LEU 41 3HD2 LEU 41 9.392 7.831 -5.306 328 HD22 LEU 41 1HD2 LEU 41 8.886 9.273 -4.424 329 HD23 LEU 41 2HD2 LEU 41 7.938 7.789 -4.311 330 H GLN 42 H GLN 42 14.272 7.274 -3.563 331 HA GLN 42 HA GLN 42 15.521 9.746 -3.457 332 HB2 GLN 42 2HB GLN 42 16.688 6.973 -3.598 333 HB3 GLN 42 1HB GLN 42 17.701 8.402 -3.424 334 HG2 GLN 42 2HG GLN 42 16.453 8.989 -1.368 335 HG3 GLN 42 1HG GLN 42 15.542 7.491 -1.526 336 HE21 GLN 42 1HE2 GLN 42 18.647 8.897 -0.821 337 HE22 GLN 42 2HE2 GLN 42 19.338 7.485 -0.103 338 HA PRO 43 HA PRO 43 17.592 9.062 -7.794 339 HB2 PRO 43 2HB PRO 43 16.356 7.336 -9.512 340 HB3 PRO 43 1HB PRO 43 17.679 6.855 -8.441 341 HG2 PRO 43 2HG PRO 43 14.719 6.513 -8.065 342 HG3 PRO 43 1HG PRO 43 16.024 5.343 -7.782 343 HD2 PRO 43 2HD PRO 43 14.884 6.734 -5.766 344 HD3 PRO 43 1HD PRO 43 16.606 6.300 -5.749 345 H ILE 44 H ILE 44 14.164 9.112 -7.192 346 HA ILE 44 HA ILE 44 13.533 10.439 -9.716 347 HB ILE 44 HB ILE 44 11.724 9.781 -7.377 348 HG12 ILE 44 2HG1 ILE 44 12.087 8.367 -10.039 349 HG13 ILE 44 1HG1 ILE 44 12.659 7.773 -8.485 350 HG21 ILE 44 1HG2 ILE 44 10.864 11.647 -8.702 351 HG22 ILE 44 2HG2 ILE 44 9.878 10.205 -8.944 352 HG23 ILE 44 3HG2 ILE 44 11.039 10.694 -10.178 353 HD11 ILE 44 3HD1 ILE 44 10.354 7.584 -7.706 354 HD12 ILE 44 1HD1 ILE 44 10.620 6.647 -9.175 355 HD13 ILE 44 2HD1 ILE 44 9.778 8.194 -9.257 356 H THR 45 H THR 45 12.906 11.244 -6.277 357 HA THR 45 HA THR 45 12.766 14.087 -7.023 358 HB THR 45 HB THR 45 11.705 14.416 -4.797 359 HG1 THR 45 HG1 THR 45 11.111 12.492 -3.642 360 HG21 THR 45 3HG2 THR 45 10.417 12.252 -6.479 361 HG22 THR 45 1HG2 THR 45 10.296 13.988 -6.766 362 HG23 THR 45 2HG2 THR 45 9.587 13.284 -5.314 363 H ASN 46 H ASN 46 15.055 12.003 -5.839 364 HA ASN 46 HA ASN 46 17.097 12.264 -4.876 365 HB2 ASN 46 2HB ASN 46 16.584 15.200 -5.416 366 HB3 ASN 46 1HB ASN 46 18.142 14.516 -4.964 367 HD21 ASN 46 1HD2 ASN 46 17.426 15.962 -7.367 368 HD22 ASN 46 2HD2 ASN 46 17.784 14.904 -8.681 369 H VAL 47 H VAL 47 14.809 12.184 -3.103 370 HA VAL 47 HA VAL 47 15.524 14.050 -0.953 371 HB VAL 47 HB VAL 47 13.176 14.007 -1.531 372 HG11 VAL 47 1HG1 VAL 47 11.794 11.995 -1.215 373 HG12 VAL 47 2HG1 VAL 47 13.247 11.060 -0.866 374 HG13 VAL 47 3HG1 VAL 47 13.019 11.768 -2.465 375 HG21 VAL 47 3HG2 VAL 47 13.740 14.404 0.813 376 HG22 VAL 47 1HG2 VAL 47 13.655 12.674 1.141 377 HG23 VAL 47 2HG2 VAL 47 12.200 13.556 0.676 378 H LEU 48 H LEU 48 16.365 13.439 0.964 379 HA LEU 48 HA LEU 48 17.585 10.893 1.284 380 HB2 LEU 48 2HB LEU 48 17.160 13.172 3.222 381 HB3 LEU 48 1HB LEU 48 18.110 11.747 3.597 382 HG LEU 48 HG LEU 48 18.741 13.690 1.365 383 HD11 LEU 48 1HD1 LEU 48 19.027 14.743 3.546 384 HD12 LEU 48 2HD1 LEU 48 20.589 14.433 2.789 385 HD13 LEU 48 3HD1 LEU 48 20.017 13.386 4.088 386 HD21 LEU 48 3HD2 LEU 48 20.314 11.368 2.490 387 HD22 LEU 48 1HD2 LEU 48 20.887 12.504 1.269 388 HD23 LEU 48 2HD2 LEU 48 19.536 11.433 0.910 389 HA PRO 49 HA PRO 49 14.343 8.427 3.141 390 HB2 PRO 49 2HB PRO 49 15.958 6.968 4.895 391 HB3 PRO 49 1HB PRO 49 15.632 6.552 3.210 392 HG2 PRO 49 2HG PRO 49 17.989 7.958 4.395 393 HG3 PRO 49 1HG PRO 49 17.934 6.767 3.082 394 HD2 PRO 49 2HD PRO 49 18.256 9.379 2.577 395 HD3 PRO 49 1HD PRO 49 17.279 8.352 1.505 396 H ARG 50 H ARG 50 16.748 9.956 5.296 397 HA ARG 50 HA ARG 50 15.183 9.887 7.653 398 HB2 ARG 50 2HB ARG 50 17.625 10.325 7.613 399 HB3 ARG 50 1HB ARG 50 17.320 11.893 6.876 400 HG2 ARG 50 2HG ARG 50 16.223 12.685 8.856 401 HG3 ARG 50 1HG ARG 50 16.256 11.076 9.578 402 HD2 ARG 50 2HD ARG 50 17.983 12.401 10.587 403 HD3 ARG 50 1HD ARG 50 18.737 11.175 9.572 404 HE ARG 50 HE ARG 50 18.383 13.702 8.245 405 HH11 ARG 50 1HH1 ARG 50 20.446 11.859 10.293 406 HH12 ARG 50 2HH1 ARG 50 21.848 12.793 9.924 407 HH21 ARG 50 1HH2 ARG 50 20.197 14.916 7.780 408 HH22 ARG 50 2HH2 ARG 50 21.711 14.497 8.505 409 H GLY 51 H GLY 51 14.965 11.848 4.829 410 HA2 GLY 51 2HA GLY 51 13.127 13.729 6.167 411 HA3 GLY 51 1HA GLY 51 13.878 13.977 4.600 412 H GLN 52 H GLN 52 12.946 10.842 4.555 413 HA GLN 52 HA GLN 52 10.525 11.458 3.033 414 HB2 GLN 52 2HB GLN 52 12.253 8.993 3.255 415 HB3 GLN 52 1HB GLN 52 10.690 8.960 2.448 416 HG2 GLN 52 2HG GLN 52 11.465 10.671 0.880 417 HG3 GLN 52 1HG GLN 52 13.034 10.695 1.683 418 HE21 GLN 52 1HE2 GLN 52 14.496 9.074 1.252 419 HE22 GLN 52 2HE2 GLN 52 14.235 7.864 0.050 420 H LYS 53 H LYS 53 9.294 11.975 5.018 421 HA LYS 53 HA LYS 53 8.581 9.742 6.733 422 HB2 LYS 53 2HB LYS 53 7.521 12.573 6.629 423 HB3 LYS 53 1HB LYS 53 7.066 11.374 7.834 424 HG2 LYS 53 2HG LYS 53 9.445 11.252 8.541 425 HG3 LYS 53 1HG LYS 53 9.812 12.554 7.407 426 HD2 LYS 53 2HD LYS 53 9.535 13.447 9.651 427 HD3 LYS 53 1HD LYS 53 8.231 14.019 8.609 428 HE2 LYS 53 2HE LYS 53 7.377 13.353 10.801 429 HE3 LYS 53 1HE LYS 53 6.736 12.312 9.531 430 HZ1 LYS 53 3HZ LYS 53 7.404 11.001 11.419 431 HZ2 LYS 53 1HZ LYS 53 8.961 11.653 11.382 432 HZ3 LYS 53 2HZ LYS 53 8.435 10.661 10.125 433 H LEU 54 H LEU 54 7.603 8.271 5.328 434 HA LEU 54 HA LEU 54 5.301 8.968 3.747 435 HB2 LEU 54 2HB LEU 54 6.396 6.267 4.563 436 HB3 LEU 54 1HB LEU 54 5.102 6.513 3.404 437 HG LEU 54 HG LEU 54 7.943 7.501 3.066 438 HD11 LEU 54 1HD1 LEU 54 6.522 5.198 1.728 439 HD12 LEU 54 2HD1 LEU 54 7.812 5.067 2.925 440 HD13 LEU 54 3HD1 LEU 54 8.144 5.780 1.349 441 HD21 LEU 54 3HD2 LEU 54 5.617 7.524 1.139 442 HD22 LEU 54 1HD2 LEU 54 7.266 8.036 0.781 443 HD23 LEU 54 2HD2 LEU 54 6.298 8.934 1.950 444 H ILE 55 H ILE 55 3.367 9.374 4.582 445 HA ILE 55 HA ILE 55 2.534 8.018 7.077 446 HB ILE 55 HB ILE 55 1.978 10.888 6.269 447 HG12 ILE 55 2HG1 ILE 55 3.687 9.817 8.537 448 HG13 ILE 55 1HG1 ILE 55 4.319 10.445 7.020 449 HG21 ILE 55 1HG2 ILE 55 1.183 9.381 8.765 450 HG22 ILE 55 2HG2 ILE 55 0.100 9.955 7.498 451 HG23 ILE 55 3HG2 ILE 55 0.965 11.114 8.507 452 HD11 ILE 55 3HD1 ILE 55 3.379 12.637 7.532 453 HD12 ILE 55 1HD1 ILE 55 4.485 12.088 8.791 454 HD13 ILE 55 2HD1 ILE 55 2.743 12.008 9.054 455 H PHE 56 H PHE 56 0.565 7.050 7.026 456 HA PHE 56 HA PHE 56 -1.327 7.760 4.867 457 HB2 PHE 56 2HB PHE 56 -0.219 5.639 4.303 458 HB3 PHE 56 1HB PHE 56 -0.669 4.969 5.867 459 HD1 PHE 56 HD1 PHE 56 -2.357 6.655 2.982 460 HD2 PHE 56 HD2 PHE 56 -2.438 3.502 5.845 461 HE1 PHE 56 HE1 PHE 56 -4.438 5.807 1.985 462 HE2 PHE 56 HE2 PHE 56 -4.522 2.651 4.854 463 HZ PHE 56 HZ PHE 56 -5.523 3.802 2.919 464 H LYS 57 H LYS 57 -3.256 8.388 5.640 465 HA LYS 57 HA LYS 57 -4.998 8.809 7.056 466 HB2 LYS 57 2HB LYS 57 -4.310 6.067 8.138 467 HB3 LYS 57 1HB LYS 57 -5.794 6.938 8.478 468 HG2 LYS 57 2HG LYS 57 -4.904 5.982 5.760 469 HG3 LYS 57 1HG LYS 57 -6.105 5.203 6.788 470 HD2 LYS 57 2HD LYS 57 -7.400 7.394 6.698 471 HD3 LYS 57 1HD LYS 57 -6.292 7.881 5.412 472 HE2 LYS 57 2HE LYS 57 -8.325 6.958 4.454 473 HE3 LYS 57 1HE LYS 57 -6.964 5.887 4.113 474 HZ1 LYS 57 3HZ LYS 57 -8.955 5.508 6.286 475 HZ2 LYS 57 1HZ LYS 57 -7.665 4.473 5.937 476 HZ3 LYS 57 2HZ LYS 57 -8.924 4.655 4.825 477 H GLY 58 H GLY 58 -2.224 9.536 7.914 478 HA2 GLY 58 2HA GLY 58 -1.543 10.843 9.744 479 HA3 GLY 58 1HA GLY 58 -2.852 10.163 10.700 480 H LYS 59 H LYS 59 -1.523 7.527 9.358 481 HA LYS 59 HA LYS 59 0.132 6.963 11.705 482 HB2 LYS 59 2HB LYS 59 -1.528 5.292 11.103 483 HB3 LYS 59 1HB LYS 59 -0.886 5.188 9.470 484 HG2 LYS 59 2HG LYS 59 1.235 4.303 10.387 485 HG3 LYS 59 1HG LYS 59 0.522 4.337 12.001 486 HD2 LYS 59 2HD LYS 59 -0.514 2.737 9.650 487 HD3 LYS 59 1HD LYS 59 0.423 2.093 10.999 488 HE2 LYS 59 2HE LYS 59 -2.297 3.390 11.201 489 HE3 LYS 59 1HE LYS 59 -1.974 1.659 11.271 490 HZ1 LYS 59 3HZ LYS 59 -1.041 3.701 13.220 491 HZ2 LYS 59 1HZ LYS 59 -0.619 2.063 13.260 492 HZ3 LYS 59 2HZ LYS 59 -2.229 2.527 13.477 493 H VAL 60 H VAL 60 2.318 6.841 11.651 494 HA VAL 60 HA VAL 60 3.707 7.417 9.158 495 HB VAL 60 HB VAL 60 4.858 6.977 11.929 496 HG11 VAL 60 1HG1 VAL 60 6.507 6.663 10.149 497 HG12 VAL 60 2HG1 VAL 60 6.839 8.133 11.066 498 HG13 VAL 60 3HG1 VAL 60 6.092 8.239 9.471 499 HG21 VAL 60 3HG2 VAL 60 3.286 8.865 11.889 500 HG22 VAL 60 1HG2 VAL 60 4.168 9.576 10.536 501 HG23 VAL 60 2HG2 VAL 60 4.948 9.415 12.111 502 H LEU 61 H LEU 61 4.568 5.902 7.871 503 HA LEU 61 HA LEU 61 4.407 3.118 8.631 504 HB2 LEU 61 2HB LEU 61 5.182 4.505 6.067 505 HB3 LEU 61 1HB LEU 61 5.289 2.767 6.257 506 HG LEU 61 HG LEU 61 3.250 3.279 5.106 507 HD11 LEU 61 1HD1 LEU 61 1.593 2.261 6.570 508 HD12 LEU 61 2HD1 LEU 61 2.628 2.559 7.969 509 HD13 LEU 61 3HD1 LEU 61 3.150 1.442 6.706 510 HD21 LEU 61 3HD2 LEU 61 1.502 4.696 6.048 511 HD22 LEU 61 1HD2 LEU 61 2.993 5.605 5.804 512 HD23 LEU 61 2HD2 LEU 61 2.537 5.077 7.425 513 H VAL 62 H VAL 62 5.998 1.800 9.247 514 HA VAL 62 HA VAL 62 8.721 2.797 9.508 515 HB VAL 62 HB VAL 62 7.604 0.085 10.275 516 HG11 VAL 62 1HG1 VAL 62 10.134 1.498 11.132 517 HG12 VAL 62 2HG1 VAL 62 10.029 0.089 10.077 518 HG13 VAL 62 3HG1 VAL 62 9.553 -0.041 11.769 519 HG21 VAL 62 3HG2 VAL 62 7.416 0.969 12.554 520 HG22 VAL 62 1HG2 VAL 62 6.394 1.867 11.432 521 HG23 VAL 62 2HG2 VAL 62 7.919 2.562 11.985 522 H GLU 63 H GLU 63 10.525 1.944 8.460 523 HA GLU 63 HA GLU 63 10.374 1.456 5.788 524 HB2 GLU 63 2HB GLU 63 12.516 0.601 7.736 525 HB3 GLU 63 1HB GLU 63 12.710 0.487 5.991 526 HG2 GLU 63 2HG GLU 63 12.429 2.896 5.781 527 HG3 GLU 63 1HG GLU 63 12.171 3.031 7.519 528 H THR 64 H THR 64 10.451 -1.099 8.269 529 HA THR 64 HA THR 64 10.848 -3.231 6.410 530 HB THR 64 HB THR 64 10.421 -4.745 8.286 531 HG1 THR 64 HG1 THR 64 9.077 -4.076 9.774 532 HG21 THR 64 3HG2 THR 64 12.636 -3.704 8.115 533 HG22 THR 64 1HG2 THR 64 12.185 -3.957 9.802 534 HG23 THR 64 2HG2 THR 64 12.081 -2.346 9.093 535 H SER 65 H SER 65 8.023 -1.492 7.221 536 HA SER 65 HA SER 65 6.181 -3.707 6.891 537 HB2 SER 65 2HB SER 65 5.640 -1.859 8.434 538 HB3 SER 65 1HB SER 65 5.599 -0.739 7.073 539 HG SER 65 HG SER 65 3.530 -1.312 7.245 540 H THR 66 H THR 66 4.840 -4.126 5.159 541 HA THR 66 HA THR 66 5.616 -2.917 2.600 542 HB THR 66 HB THR 66 4.542 -4.780 1.502 543 HG1 THR 66 HG1 THR 66 3.599 -6.461 2.951 544 HG21 THR 66 3HG2 THR 66 6.113 -5.783 3.885 545 HG22 THR 66 1HG2 THR 66 6.800 -5.207 2.366 546 HG23 THR 66 2HG2 THR 66 5.820 -6.671 2.392 547 H LEU 67 H LEU 67 4.006 -2.277 1.043 548 HA LEU 67 HA LEU 67 1.927 -0.682 2.038 549 HB2 LEU 67 2HB LEU 67 2.323 -1.877 -0.710 550 HB3 LEU 67 1HB LEU 67 1.041 -0.744 -0.337 551 HG LEU 67 HG LEU 67 2.789 0.476 -1.404 552 HD11 LEU 67 1HD1 LEU 67 3.401 2.125 0.294 553 HD12 LEU 67 2HD1 LEU 67 2.900 1.004 1.562 554 HD13 LEU 67 3HD1 LEU 67 1.709 1.642 0.427 555 HD21 LEU 67 3HD2 LEU 67 4.630 -1.094 -1.037 556 HD22 LEU 67 1HD2 LEU 67 4.703 -0.615 0.660 557 HD23 LEU 67 2HD2 LEU 67 5.087 0.552 -0.605 558 H LYS 68 H LYS 68 1.910 -3.993 0.819 559 HA LYS 68 HA LYS 68 -0.856 -4.454 0.851 560 HB2 LYS 68 2HB LYS 68 0.898 -5.897 -0.216 561 HB3 LYS 68 1HB LYS 68 1.317 -6.489 1.386 562 HG2 LYS 68 2HG LYS 68 -0.949 -7.388 1.649 563 HG3 LYS 68 1HG LYS 68 -1.368 -6.791 0.040 564 HD2 LYS 68 2HD LYS 68 0.485 -8.213 -0.880 565 HD3 LYS 68 1HD LYS 68 0.678 -8.906 0.733 566 HE2 LYS 68 2HE LYS 68 -0.696 -10.349 -0.658 567 HE3 LYS 68 1HE LYS 68 -1.653 -9.681 0.664 568 HZ1 LYS 68 3HZ LYS 68 -2.585 -8.065 -0.850 569 HZ2 LYS 68 1HZ LYS 68 -2.835 -9.619 -1.459 570 HZ3 LYS 68 2HZ LYS 68 -1.628 -8.638 -2.119 571 H GLN 69 H GLN 69 1.579 -5.138 3.399 572 HA GLN 69 HA GLN 69 -0.350 -6.169 5.241 573 HB2 GLN 69 2HB GLN 69 2.470 -5.176 5.697 574 HB3 GLN 69 1HB GLN 69 1.497 -5.996 6.910 575 HG2 GLN 69 2HG GLN 69 1.379 -7.972 5.424 576 HG3 GLN 69 1HG GLN 69 2.449 -7.145 4.291 577 HE21 GLN 69 1HE2 GLN 69 4.079 -8.670 4.484 578 HE22 GLN 69 2HE2 GLN 69 5.027 -8.840 5.916 579 H SER 70 H SER 70 0.672 -2.972 4.440 580 HA SER 70 HA SER 70 -0.518 -1.782 6.824 581 HB2 SER 70 2HB SER 70 1.468 -0.718 5.806 582 HB3 SER 70 1HB SER 70 0.568 -0.464 4.312 583 HG SER 70 HG SER 70 -0.918 0.817 5.599 584 H ASP 71 H ASP 71 -1.774 -3.211 4.201 585 HA ASP 71 HA ASP 71 -3.791 -3.279 3.200 586 HB2 ASP 71 2HB ASP 71 -4.534 -1.397 5.446 587 HB3 ASP 71 1HB ASP 71 -5.702 -2.046 4.296 588 H VAL 72 H VAL 72 -1.755 -1.054 2.622 589 HA VAL 72 HA VAL 72 -3.262 1.067 1.426 590 HB VAL 72 HB VAL 72 -0.416 0.168 0.892 591 HG11 VAL 72 1HG1 VAL 72 -0.074 2.404 -0.045 592 HG12 VAL 72 2HG1 VAL 72 -1.785 2.767 0.183 593 HG13 VAL 72 3HG1 VAL 72 -1.292 1.507 -0.950 594 HG21 VAL 72 3HG2 VAL 72 -1.488 2.326 2.718 595 HG22 VAL 72 1HG2 VAL 72 0.219 2.023 2.383 596 HG23 VAL 72 2HG2 VAL 72 -0.746 0.807 3.219 597 H GLY 73 H GLY 73 -4.552 0.800 -0.295 598 HA2 GLY 73 2HA GLY 73 -4.079 -1.510 -2.065 599 HA3 GLY 73 1HA GLY 73 -5.625 -0.730 -1.798 600 H SER 74 H SER 74 -5.350 -1.116 -4.258 601 HA SER 74 HA SER 74 -3.764 0.654 -5.798 602 HB2 SER 74 2HB SER 74 -5.274 0.038 -7.676 603 HB3 SER 74 1HB SER 74 -4.703 -1.371 -6.785 604 HG SER 74 HG SER 74 -7.000 -0.459 -5.701 605 H GLY 75 H GLY 75 -3.914 2.810 -5.703 606 HA2 GLY 75 2HA GLY 75 -5.037 4.820 -6.327 607 HA3 GLY 75 1HA GLY 75 -6.570 4.066 -5.921 608 H ALA 76 H ALA 76 -3.951 3.684 -3.689 609 HA ALA 76 HA ALA 76 -5.396 5.091 -1.642 610 HB1 ALA 76 3HB ALA 76 -4.159 3.045 -1.150 611 HB2 ALA 76 1HB ALA 76 -3.590 4.392 -0.163 612 HB3 ALA 76 2HB ALA 76 -2.646 3.854 -1.552 613 H LYS 77 H LYS 77 -4.947 7.013 -0.666 614 HA LYS 77 HA LYS 77 -3.076 8.800 -2.056 615 HB2 LYS 77 2HB LYS 77 -5.272 9.443 -0.069 616 HB3 LYS 77 1HB LYS 77 -4.319 10.619 -0.967 617 HG2 LYS 77 2HG LYS 77 -5.294 9.921 -3.045 618 HG3 LYS 77 1HG LYS 77 -6.107 8.564 -2.262 619 HD2 LYS 77 2HD LYS 77 -7.707 10.336 -2.637 620 HD3 LYS 77 1HD LYS 77 -7.418 10.175 -0.906 621 HE2 LYS 77 2HE LYS 77 -7.468 12.508 -1.420 622 HE3 LYS 77 1HE LYS 77 -5.794 12.077 -1.081 623 HZ1 LYS 77 3HZ LYS 77 -5.922 13.490 -3.010 624 HZ2 LYS 77 1HZ LYS 77 -7.002 12.435 -3.770 625 HZ3 LYS 77 2HZ LYS 77 -5.411 11.952 -3.487 626 H LEU 78 H LEU 78 -1.080 8.663 -1.190 627 HA LEU 78 HA LEU 78 -0.723 8.316 1.695 628 HB2 LEU 78 2HB LEU 78 1.323 8.319 -0.533 629 HB3 LEU 78 1HB LEU 78 1.622 7.884 1.138 630 HG LEU 78 HG LEU 78 -0.166 6.365 -0.774 631 HD11 LEU 78 1HD1 LEU 78 2.575 5.687 0.300 632 HD12 LEU 78 2HD1 LEU 78 2.188 6.146 -1.360 633 HD13 LEU 78 3HD1 LEU 78 1.564 4.637 -0.695 634 HD21 LEU 78 3HD2 LEU 78 -0.227 4.657 0.995 635 HD22 LEU 78 1HD2 LEU 78 -0.958 6.176 1.514 636 HD23 LEU 78 2HD2 LEU 78 0.662 5.744 2.064 637 H MET 79 H MET 79 0.187 9.833 3.022 638 HA MET 79 HA MET 79 0.682 12.506 1.916 639 HB2 MET 79 2HB MET 79 -0.825 12.413 3.817 640 HB3 MET 79 1HB MET 79 0.360 11.524 4.765 641 HG2 MET 79 2HG MET 79 1.853 13.489 4.688 642 HG3 MET 79 1HG MET 79 0.604 14.374 3.812 643 HE1 MET 79 3HE MET 79 2.036 15.287 6.590 644 HE2 MET 79 1HE MET 79 0.645 15.959 7.440 645 HE3 MET 79 2HE MET 79 0.868 16.282 5.721 646 H LEU 80 H LEU 80 2.698 13.386 1.772 647 HA LEU 80 HA LEU 80 4.895 12.030 3.201 648 HB2 LEU 80 2HB LEU 80 4.972 11.385 0.852 649 HB3 LEU 80 1HB LEU 80 4.948 13.069 0.363 650 HG LEU 80 HG LEU 80 7.168 13.423 1.310 651 HD11 LEU 80 1HD1 LEU 80 7.074 10.514 2.111 652 HD12 LEU 80 2HD1 LEU 80 7.040 11.898 3.204 653 HD13 LEU 80 3HD1 LEU 80 8.475 11.579 2.234 654 HD21 LEU 80 3HD2 LEU 80 7.013 12.615 -0.994 655 HD22 LEU 80 1HD2 LEU 80 7.075 10.948 -0.419 656 HD23 LEU 80 2HD2 LEU 80 8.466 12.011 -0.198 657 H MET 81 H MET 81 5.224 13.477 4.803 658 HA MET 81 HA MET 81 5.585 16.309 4.175 659 HB2 MET 81 2HB MET 81 4.326 15.657 6.210 660 HB3 MET 81 1HB MET 81 5.766 14.870 6.840 661 HG2 MET 81 2HG MET 81 6.910 16.976 7.013 662 HG3 MET 81 1HG MET 81 5.586 17.809 6.200 663 HE1 MET 81 3HE MET 81 5.294 14.963 8.921 664 HE2 MET 81 1HE MET 81 5.215 15.916 10.402 665 HE3 MET 81 2HE MET 81 6.699 15.888 9.449 666 H ALA 82 H ALA 82 7.471 16.394 3.002 667 HA ALA 82 HA ALA 82 9.832 14.944 3.926 668 HB1 ALA 82 3HB ALA 82 9.378 16.486 1.373 669 HB2 ALA 82 1HB ALA 82 9.195 14.744 1.577 670 HB3 ALA 82 2HB ALA 82 10.786 15.490 1.744 671 H SER 83 H SER 83 11.685 15.843 4.626 672 HA SER 83 HA SER 83 12.413 18.578 4.170 673 HB2 SER 83 2HB SER 83 10.864 18.997 6.003 674 HB3 SER 83 1HB SER 83 11.638 17.759 6.989 675 HG SER 83 HG SER 83 12.800 19.363 7.684 676 H GLN 84 H GLN 84 14.421 17.991 3.490 677 HA GLN 84 HA GLN 84 15.970 15.956 4.768 678 HB2 GLN 84 2HB GLN 84 16.693 18.028 2.693 679 HB3 GLN 84 1HB GLN 84 17.821 16.810 3.276 680 HG2 GLN 84 2HG GLN 84 16.278 15.050 2.492 681 HG3 GLN 84 1HG GLN 84 15.220 16.301 1.841 682 HE21 GLN 84 1HE2 GLN 84 17.400 17.994 0.922 683 HE22 GLN 84 2HE2 GLN 84 18.077 17.202 -0.451 684 H GLY 85 H GLY 85 16.168 16.555 6.945 685 HA2 GLY 85 2HA GLY 85 17.852 18.903 7.521 686 HA3 GLY 85 1HA GLY 85 16.955 17.966 8.704 Start of MODEL 14 1 H1 MET 1 1H MET 1 13.779 -0.546 -4.824 2 H2 MET 1 2H MET 1 13.708 -1.896 -3.812 3 H3 MET 1 3H MET 1 12.773 -1.844 -5.216 4 HA MET 1 HA MET 1 14.698 -1.939 -6.601 5 HB2 MET 1 2HB MET 1 16.230 -1.915 -3.987 6 HB3 MET 1 1HB MET 1 16.948 -2.218 -5.566 7 HG2 MET 1 2HG MET 1 15.637 0.329 -4.634 8 HG3 MET 1 1HG MET 1 17.355 0.062 -4.933 9 HE1 MET 1 3HE MET 1 15.901 2.539 -6.183 10 HE2 MET 1 1HE MET 1 16.462 2.484 -7.855 11 HE3 MET 1 2HE MET 1 17.582 2.138 -6.537 12 H GLY 2 H GLY 2 15.648 -3.987 -7.218 13 HA2 GLY 2 2HA GLY 2 15.698 -6.231 -5.484 14 HA3 GLY 2 1HA GLY 2 14.188 -6.226 -6.378 15 H HIS 3 H HIS 3 16.311 -8.163 -6.421 16 HA HIS 3 HA HIS 3 17.777 -8.144 -8.825 17 HB2 HIS 3 2HB HIS 3 17.847 -10.617 -8.511 18 HB3 HIS 3 1HB HIS 3 18.251 -9.730 -7.046 19 HD1 HIS 3 HD1 HIS 3 15.422 -11.741 -8.560 20 HD2 HIS 3 HD2 HIS 3 16.623 -10.236 -4.877 21 HE1 HIS 3 HE1 HIS 3 13.838 -12.721 -6.884 22 HE2 HIS 3 HE2 HIS 3 14.661 -11.902 -4.657 23 H HIS 4 H HIS 4 17.064 -10.512 -10.182 24 HA HIS 4 HA HIS 4 15.134 -9.762 -12.026 25 HB2 HIS 4 2HB HIS 4 15.870 -12.582 -11.192 26 HB3 HIS 4 1HB HIS 4 14.996 -12.159 -12.659 27 HD1 HIS 4 HD1 HIS 4 18.161 -13.233 -11.830 28 HD2 HIS 4 HD2 HIS 4 16.819 -9.977 -14.037 29 HE1 HIS 4 HE1 HIS 4 20.082 -12.583 -13.306 30 HE2 HIS 4 HE2 HIS 4 19.200 -10.711 -14.733 31 H HIS 5 H HIS 5 13.006 -9.422 -11.818 32 HA HIS 5 HA HIS 5 11.603 -10.285 -9.446 33 HB2 HIS 5 2HB HIS 5 9.677 -9.010 -10.448 34 HB3 HIS 5 1HB HIS 5 11.140 -8.063 -10.204 35 HD1 HIS 5 HD1 HIS 5 9.282 -9.830 -13.014 36 HD2 HIS 5 HD2 HIS 5 12.017 -6.751 -12.427 37 HE1 HIS 5 HE1 HIS 5 9.559 -8.739 -15.255 38 HE2 HIS 5 HE2 HIS 5 11.245 -6.907 -14.891 39 H HIS 6 H HIS 6 10.477 -12.103 -9.226 40 HA HIS 6 HA HIS 6 9.966 -13.761 -11.570 41 HB2 HIS 6 2HB HIS 6 9.684 -14.355 -8.616 42 HB3 HIS 6 1HB HIS 6 9.415 -15.525 -9.910 43 HD1 HIS 6 HD1 HIS 6 11.490 -16.468 -11.107 44 HD2 HIS 6 HD2 HIS 6 12.389 -13.688 -8.154 45 HE1 HIS 6 HE1 HIS 6 13.970 -16.630 -10.765 46 HE2 HIS 6 HE2 HIS 6 14.468 -15.046 -8.878 47 H HIS 7 H HIS 7 8.025 -14.289 -12.371 48 HA HIS 7 HA HIS 7 5.834 -12.522 -11.679 49 HB2 HIS 7 2HB HIS 7 6.715 -13.113 -14.041 50 HB3 HIS 7 1HB HIS 7 5.805 -14.606 -13.861 51 HD1 HIS 7 HD1 HIS 7 5.331 -10.887 -14.121 52 HD2 HIS 7 HD2 HIS 7 3.077 -14.369 -14.305 53 HE1 HIS 7 HE1 HIS 7 3.092 -10.182 -14.990 54 HE2 HIS 7 HE2 HIS 7 1.838 -12.333 -15.316 55 H HIS 8 H HIS 8 5.117 -13.409 -9.665 56 HA HIS 8 HA HIS 8 3.448 -15.830 -9.996 57 HB2 HIS 8 2HB HIS 8 5.251 -15.111 -7.698 58 HB3 HIS 8 1HB HIS 8 3.838 -16.123 -7.435 59 HD1 HIS 8 HD1 HIS 8 7.206 -16.626 -7.663 60 HD2 HIS 8 HD2 HIS 8 4.021 -18.246 -9.781 61 HE1 HIS 8 HE1 HIS 8 8.045 -18.810 -8.568 62 HE2 HIS 8 HE2 HIS 8 6.037 -19.859 -9.657 63 H SER 9 H SER 9 1.536 -14.751 -10.337 64 HA SER 9 HA SER 9 -0.386 -13.606 -9.867 65 HB2 SER 9 2HB SER 9 0.299 -14.584 -7.079 66 HB3 SER 9 1HB SER 9 -1.289 -14.008 -7.589 67 HG SER 9 HG SER 9 -1.418 -16.160 -7.859 68 H HIS 10 H HIS 10 2.108 -12.015 -9.682 69 HA HIS 10 HA HIS 10 1.413 -10.025 -7.624 70 HB2 HIS 10 2HB HIS 10 3.666 -10.986 -7.451 71 HB3 HIS 10 1HB HIS 10 4.023 -10.475 -9.096 72 HD1 HIS 10 HD1 HIS 10 3.459 -9.093 -5.636 73 HD2 HIS 10 HD2 HIS 10 4.821 -7.830 -9.359 74 HE1 HIS 10 HE1 HIS 10 4.405 -6.802 -5.266 75 HE2 HIS 10 HE2 HIS 10 5.318 -6.104 -7.497 76 H SER 11 H SER 11 0.601 -8.117 -8.236 77 HA SER 11 HA SER 11 1.113 -7.137 -10.985 78 HB2 SER 11 2HB SER 11 -1.251 -7.807 -10.705 79 HB3 SER 11 1HB SER 11 -1.398 -6.722 -9.324 80 HG SER 11 HG SER 11 -2.153 -5.592 -11.051 81 H THR 12 H THR 12 0.227 -4.598 -10.849 82 HA THR 12 HA THR 12 1.815 -3.352 -8.677 83 HB THR 12 HB THR 12 2.185 -1.431 -10.218 84 HG1 THR 12 HG1 THR 12 1.206 -3.146 -12.276 85 HG21 THR 12 3HG2 THR 12 3.126 -4.099 -11.294 86 HG22 THR 12 1HG2 THR 12 3.901 -3.166 -10.013 87 HG23 THR 12 2HG2 THR 12 3.845 -2.531 -11.655 88 H ILE 13 H ILE 13 0.974 -1.564 -7.620 89 HA ILE 13 HA ILE 13 -1.901 -1.077 -8.050 90 HB ILE 13 HB ILE 13 -1.896 -0.136 -5.731 91 HG12 ILE 13 2HG1 ILE 13 0.914 -1.292 -5.639 92 HG13 ILE 13 1HG1 ILE 13 0.505 0.419 -5.564 93 HG21 ILE 13 1HG2 ILE 13 -1.835 -2.312 -4.605 94 HG22 ILE 13 2HG2 ILE 13 -0.982 -3.006 -5.985 95 HG23 ILE 13 3HG2 ILE 13 -2.635 -2.420 -6.173 96 HD11 ILE 13 3HD1 ILE 13 -0.668 0.017 -3.441 97 HD12 ILE 13 1HD1 ILE 13 1.037 -0.420 -3.369 98 HD13 ILE 13 2HD1 ILE 13 -0.188 -1.677 -3.517 99 H LYS 14 H LYS 14 -2.656 0.891 -8.563 100 HA LYS 14 HA LYS 14 -0.780 3.039 -9.112 101 HB2 LYS 14 2HB LYS 14 -3.761 2.787 -9.579 102 HB3 LYS 14 1HB LYS 14 -2.789 4.163 -10.089 103 HG2 LYS 14 2HG LYS 14 -1.493 2.757 -11.570 104 HG3 LYS 14 1HG LYS 14 -2.337 1.319 -10.994 105 HD2 LYS 14 2HD LYS 14 -3.655 3.638 -12.419 106 HD3 LYS 14 1HD LYS 14 -3.164 2.132 -13.192 107 HE2 LYS 14 2HE LYS 14 -4.684 0.894 -11.691 108 HE3 LYS 14 1HE LYS 14 -5.197 2.421 -10.976 109 HZ1 LYS 14 3HZ LYS 14 -5.552 1.606 -13.810 110 HZ2 LYS 14 1HZ LYS 14 -5.997 3.107 -13.168 111 HZ3 LYS 14 2HZ LYS 14 -6.763 1.699 -12.639 112 H LEU 15 H LEU 15 -0.309 4.576 -7.688 113 HA LEU 15 HA LEU 15 -2.139 5.026 -5.409 114 HB2 LEU 15 2HB LEU 15 0.867 5.357 -5.455 115 HB3 LEU 15 1HB LEU 15 -0.180 5.526 -4.059 116 HG LEU 15 HG LEU 15 0.374 2.957 -5.560 117 HD11 LEU 15 1HD1 LEU 15 1.506 2.260 -3.511 118 HD12 LEU 15 2HD1 LEU 15 1.202 3.842 -2.795 119 HD13 LEU 15 3HD1 LEU 15 2.261 3.698 -4.199 120 HD21 LEU 15 3HD2 LEU 15 -1.913 3.007 -4.707 121 HD22 LEU 15 1HD2 LEU 15 -1.316 3.436 -3.104 122 HD23 LEU 15 2HD2 LEU 15 -0.923 1.865 -3.801 123 H THR 16 H THR 16 -1.683 7.193 -4.294 124 HA THR 16 HA THR 16 -0.732 9.308 -6.093 125 HB THR 16 HB THR 16 -3.436 9.404 -4.714 126 HG1 THR 16 HG1 THR 16 -2.881 8.438 -7.021 127 HG21 THR 16 3HG2 THR 16 -3.648 11.653 -5.721 128 HG22 THR 16 1HG2 THR 16 -1.975 11.554 -6.262 129 HG23 THR 16 2HG2 THR 16 -2.343 11.578 -4.537 130 H VAL 17 H VAL 17 0.948 10.061 -4.926 131 HA VAL 17 HA VAL 17 0.644 10.288 -1.999 132 HB VAL 17 HB VAL 17 2.465 8.821 -2.713 133 HG11 VAL 17 1HG1 VAL 17 2.978 9.820 -4.878 134 HG12 VAL 17 2HG1 VAL 17 4.433 9.707 -3.887 135 HG13 VAL 17 3HG1 VAL 17 3.616 11.258 -4.080 136 HG21 VAL 17 3HG2 VAL 17 4.292 9.852 -1.424 137 HG22 VAL 17 1HG2 VAL 17 2.731 10.037 -0.623 138 HG23 VAL 17 2HG2 VAL 17 3.449 11.401 -1.481 139 H LYS 18 H LYS 18 0.747 12.230 -1.005 140 HA LYS 18 HA LYS 18 0.984 14.612 -2.657 141 HB2 LYS 18 2HB LYS 18 0.279 14.296 0.270 142 HB3 LYS 18 1HB LYS 18 0.258 15.818 -0.612 143 HG2 LYS 18 2HG LYS 18 -1.482 14.930 -2.098 144 HG3 LYS 18 1HG LYS 18 -1.469 13.413 -1.196 145 HD2 LYS 18 2HD LYS 18 -2.160 14.615 0.830 146 HD3 LYS 18 1HD LYS 18 -2.165 16.133 -0.069 147 HE2 LYS 18 2HE LYS 18 -3.917 13.736 -0.637 148 HE3 LYS 18 1HE LYS 18 -4.427 15.211 0.180 149 HZ1 LYS 18 3HZ LYS 18 -3.480 15.014 -2.631 150 HZ2 LYS 18 1HZ LYS 18 -3.931 16.446 -1.851 151 HZ3 LYS 18 2HZ LYS 18 -5.076 15.237 -2.132 152 H PHE 19 H PHE 19 3.034 15.203 -3.094 153 HA PHE 19 HA PHE 19 5.159 15.129 -1.151 154 HB2 PHE 19 2HB PHE 19 4.866 15.959 -3.994 155 HB3 PHE 19 1HB PHE 19 6.144 16.756 -3.087 156 HD1 PHE 19 HD1 PHE 19 7.932 15.381 -2.029 157 HD2 PHE 19 HD2 PHE 19 5.117 13.723 -4.763 158 HE1 PHE 19 HE1 PHE 19 9.427 13.466 -2.409 159 HE2 PHE 19 HE2 PHE 19 6.616 11.808 -5.137 160 HZ PHE 19 HZ PHE 19 8.762 11.678 -3.961 161 H GLY 20 H GLY 20 4.459 16.369 0.607 162 HA2 GLY 20 2HA GLY 20 4.203 18.273 1.874 163 HA3 GLY 20 1HA GLY 20 5.147 19.084 0.635 164 H GLY 21 H GLY 21 2.132 17.606 -0.251 165 HA2 GLY 21 2HA GLY 21 -0.002 18.928 0.005 166 HA3 GLY 21 1HA GLY 21 0.941 20.303 -0.548 167 H LYS 22 H LYS 22 2.404 18.639 -2.536 168 HA LYS 22 HA LYS 22 0.438 18.870 -4.672 169 HB2 LYS 22 2HB LYS 22 3.374 18.127 -4.802 170 HB3 LYS 22 1HB LYS 22 2.344 18.505 -6.178 171 HG2 LYS 22 2HG LYS 22 3.097 20.408 -3.962 172 HG3 LYS 22 1HG LYS 22 3.779 20.383 -5.589 173 HD2 LYS 22 2HD LYS 22 1.529 20.846 -6.509 174 HD3 LYS 22 1HD LYS 22 0.897 20.942 -4.863 175 HE2 LYS 22 2HE LYS 22 3.017 22.732 -6.064 176 HE3 LYS 22 1HE LYS 22 1.332 23.167 -5.777 177 HZ1 LYS 22 3HZ LYS 22 3.350 22.489 -3.707 178 HZ2 LYS 22 1HZ LYS 22 1.718 22.802 -3.396 179 HZ3 LYS 22 2HZ LYS 22 2.704 24.021 -4.021 180 H SER 23 H SER 23 -0.778 17.193 -5.344 181 HA SER 23 HA SER 23 -0.197 14.499 -4.438 182 HB2 SER 23 2HB SER 23 -2.487 15.550 -6.126 183 HB3 SER 23 1HB SER 23 -2.382 13.928 -5.442 184 HG SER 23 HG SER 23 -3.002 16.333 -4.237 185 H ILE 24 H ILE 24 1.163 13.236 -5.526 186 HA ILE 24 HA ILE 24 1.333 13.447 -8.462 187 HB ILE 24 HB ILE 24 3.338 12.230 -6.544 188 HG12 ILE 24 2HG1 ILE 24 3.187 14.661 -6.225 189 HG13 ILE 24 1HG1 ILE 24 4.714 14.232 -6.986 190 HG21 ILE 24 1HG2 ILE 24 3.547 12.824 -9.501 191 HG22 ILE 24 2HG2 ILE 24 3.451 11.227 -8.758 192 HG23 ILE 24 3HG2 ILE 24 4.862 12.246 -8.478 193 HD11 ILE 24 3HD1 ILE 24 3.831 14.933 -9.150 194 HD12 ILE 24 1HD1 ILE 24 3.768 16.237 -7.963 195 HD13 ILE 24 2HD1 ILE 24 2.299 15.359 -8.386 196 HA PRO 25 HA PRO 25 -0.613 9.348 -8.398 197 HB2 PRO 25 2HB PRO 25 -0.591 9.535 -11.315 198 HB3 PRO 25 1HB PRO 25 -1.969 9.521 -10.213 199 HG2 PRO 25 2HG PRO 25 -1.245 11.724 -11.620 200 HG3 PRO 25 1HG PRO 25 -2.013 11.814 -10.025 201 HD2 PRO 25 2HD PRO 25 0.892 12.086 -10.742 202 HD3 PRO 25 1HD PRO 25 -0.084 13.050 -9.608 203 H LEU 26 H LEU 26 0.625 7.588 -8.079 204 HA LEU 26 HA LEU 26 2.847 7.026 -9.953 205 HB2 LEU 26 2HB LEU 26 2.683 6.383 -7.001 206 HB3 LEU 26 1HB LEU 26 3.991 5.899 -8.065 207 HG LEU 26 HG LEU 26 3.268 8.745 -7.325 208 HD11 LEU 26 1HD1 LEU 26 5.387 8.745 -6.122 209 HD12 LEU 26 2HD1 LEU 26 5.648 7.057 -6.551 210 HD13 LEU 26 3HD1 LEU 26 4.310 7.499 -5.494 211 HD21 LEU 26 3HD2 LEU 26 4.131 8.624 -9.605 212 HD22 LEU 26 1HD2 LEU 26 5.526 7.701 -9.044 213 HD23 LEU 26 2HD2 LEU 26 5.308 9.374 -8.529 214 H SER 27 H SER 27 3.543 4.587 -9.626 215 HA SER 27 HA SER 27 1.370 2.742 -9.063 216 HB2 SER 27 2HB SER 27 1.528 1.592 -11.257 217 HB3 SER 27 1HB SER 27 0.951 3.247 -11.434 218 HG SER 27 HG SER 27 3.656 2.437 -11.792 219 H VAL 28 H VAL 28 2.398 1.393 -7.666 220 HA VAL 28 HA VAL 28 5.161 0.567 -8.325 221 HB VAL 28 HB VAL 28 5.841 0.745 -6.006 222 HG11 VAL 28 1HG1 VAL 28 6.164 2.713 -7.397 223 HG12 VAL 28 2HG1 VAL 28 5.796 3.193 -5.742 224 HG13 VAL 28 3HG1 VAL 28 4.553 3.296 -6.985 225 HG21 VAL 28 3HG2 VAL 28 4.399 1.757 -4.297 226 HG22 VAL 28 1HG2 VAL 28 3.708 0.259 -4.920 227 HG23 VAL 28 2HG2 VAL 28 3.067 1.814 -5.453 228 H SER 29 H SER 29 5.834 -1.148 -6.521 229 HA SER 29 HA SER 29 4.064 -3.419 -6.914 230 HB2 SER 29 2HB SER 29 6.416 -3.757 -7.386 231 HB3 SER 29 1HB SER 29 6.869 -3.186 -5.781 232 HG SER 29 HG SER 29 6.753 -5.210 -5.251 233 HA PRO 30 HA PRO 30 2.212 -2.753 -2.853 234 HB2 PRO 30 2HB PRO 30 0.818 -5.133 -2.799 235 HB3 PRO 30 1HB PRO 30 0.266 -3.671 -3.621 236 HG2 PRO 30 2HG PRO 30 1.672 -6.065 -4.756 237 HG3 PRO 30 1HG PRO 30 0.290 -5.161 -5.408 238 HD2 PRO 30 2HD PRO 30 2.765 -4.782 -6.363 239 HD3 PRO 30 1HD PRO 30 1.633 -3.422 -6.184 240 H ASP 31 H ASP 31 3.997 -5.661 -3.742 241 HA ASP 31 HA ASP 31 4.292 -6.552 -1.003 242 HB2 ASP 31 2HB ASP 31 5.467 -7.557 -3.604 243 HB3 ASP 31 1HB ASP 31 5.750 -8.318 -2.040 244 H CYS 32 H CYS 32 5.686 -4.047 -2.561 245 HA CYS 32 HA CYS 32 8.389 -4.408 -1.540 246 HB2 CYS 32 2HB CYS 32 7.016 -2.148 -2.992 247 HB3 CYS 32 1HB CYS 32 8.618 -1.957 -2.293 248 HG CYS 32 HG CYS 32 9.833 -2.788 -4.365 249 H THR 33 H THR 33 9.279 -3.342 0.232 250 HA THR 33 HA THR 33 7.442 -2.542 2.300 251 HB THR 33 HB THR 33 9.415 -2.178 3.700 252 HG1 THR 33 HG1 THR 33 11.240 -3.048 1.807 253 HG21 THR 33 3HG2 THR 33 10.338 -4.444 3.665 254 HG22 THR 33 1HG2 THR 33 9.676 -4.699 2.050 255 HG23 THR 33 2HG2 THR 33 8.593 -4.476 3.423 256 H VAL 34 H VAL 34 7.385 -0.483 3.364 257 HA VAL 34 HA VAL 34 7.236 1.722 1.652 258 HB VAL 34 HB VAL 34 6.958 3.114 3.639 259 HG11 VAL 34 1HG1 VAL 34 5.062 1.781 2.871 260 HG12 VAL 34 2HG1 VAL 34 5.034 1.964 4.624 261 HG13 VAL 34 3HG1 VAL 34 5.566 0.444 3.904 262 HG21 VAL 34 3HG2 VAL 34 7.165 2.162 5.893 263 HG22 VAL 34 1HG2 VAL 34 8.711 2.164 5.045 264 HG23 VAL 34 2HG2 VAL 34 7.793 0.665 5.203 265 H LYS 35 H LYS 35 9.955 0.532 3.531 266 HA LYS 35 HA LYS 35 11.552 2.895 3.109 267 HB2 LYS 35 2HB LYS 35 11.965 1.494 5.066 268 HB3 LYS 35 1HB LYS 35 12.366 0.129 4.029 269 HG2 LYS 35 2HG LYS 35 14.350 1.194 3.245 270 HG3 LYS 35 1HG LYS 35 13.893 2.729 3.983 271 HD2 LYS 35 2HD LYS 35 15.636 1.599 5.273 272 HD3 LYS 35 1HD LYS 35 14.148 1.751 6.206 273 HE2 LYS 35 2HE LYS 35 13.596 -0.581 5.697 274 HE3 LYS 35 1HE LYS 35 15.079 -0.728 4.753 275 HZ1 LYS 35 3HZ LYS 35 15.290 -1.611 7.017 276 HZ2 LYS 35 1HZ LYS 35 14.978 -0.073 7.646 277 HZ3 LYS 35 2HZ LYS 35 16.367 -0.342 6.726 278 H ASP 36 H ASP 36 11.190 -0.252 1.505 279 HA ASP 36 HA ASP 36 13.302 -0.072 -0.317 280 HB2 ASP 36 2HB ASP 36 11.800 -2.051 -0.014 281 HB3 ASP 36 1HB ASP 36 10.540 -1.184 -0.886 282 H LEU 37 H LEU 37 10.024 1.284 -0.486 283 HA LEU 37 HA LEU 37 10.240 2.570 -2.969 284 HB2 LEU 37 2HB LEU 37 8.640 3.228 -0.504 285 HB3 LEU 37 1HB LEU 37 8.538 4.202 -1.961 286 HG LEU 37 HG LEU 37 7.802 1.280 -1.704 287 HD11 LEU 37 1HD1 LEU 37 6.115 3.736 -2.211 288 HD12 LEU 37 2HD1 LEU 37 6.162 2.793 -0.720 289 HD13 LEU 37 3HD1 LEU 37 5.536 2.068 -2.201 290 HD21 LEU 37 3HD2 LEU 37 7.764 3.092 -4.124 291 HD22 LEU 37 1HD2 LEU 37 7.053 1.476 -4.047 292 HD23 LEU 37 2HD2 LEU 37 8.797 1.683 -3.882 293 H LYS 38 H LYS 38 11.071 3.772 0.287 294 HA LYS 38 HA LYS 38 11.792 6.372 -0.376 295 HB2 LYS 38 2HB LYS 38 13.128 4.593 1.680 296 HB3 LYS 38 1HB LYS 38 13.242 6.348 1.618 297 HG2 LYS 38 2HG LYS 38 10.793 6.477 1.982 298 HG3 LYS 38 1HG LYS 38 10.760 4.720 2.155 299 HD2 LYS 38 2HD LYS 38 12.378 4.933 4.040 300 HD3 LYS 38 1HD LYS 38 12.238 6.689 3.910 301 HE2 LYS 38 2HE LYS 38 9.803 6.480 4.343 302 HE3 LYS 38 1HE LYS 38 10.019 4.744 4.569 303 HZ1 LYS 38 3HZ LYS 38 11.626 5.326 6.376 304 HZ2 LYS 38 1HZ LYS 38 10.021 5.751 6.700 305 HZ3 LYS 38 2HZ LYS 38 11.133 6.934 6.230 306 H SER 39 H SER 39 13.814 3.441 -0.476 307 HA SER 39 HA SER 39 16.174 4.765 -1.362 308 HB2 SER 39 2HB SER 39 16.247 2.543 -0.313 309 HB3 SER 39 1HB SER 39 15.383 1.858 -1.690 310 HG SER 39 HG SER 39 17.697 3.288 -2.289 311 H GLN 40 H GLN 40 13.370 3.567 -3.060 312 HA GLN 40 HA GLN 40 14.604 3.679 -5.678 313 HB2 GLN 40 2HB GLN 40 11.703 3.382 -4.862 314 HB3 GLN 40 1HB GLN 40 12.294 3.275 -6.515 315 HG2 GLN 40 2HG GLN 40 13.657 1.337 -5.900 316 HG3 GLN 40 1HG GLN 40 13.060 1.444 -4.248 317 HE21 GLN 40 1HE2 GLN 40 10.343 2.145 -5.124 318 HE22 GLN 40 2HE2 GLN 40 9.655 0.676 -5.708 319 H LEU 41 H LEU 41 12.561 5.773 -3.711 320 HA LEU 41 HA LEU 41 12.055 7.687 -5.767 321 HB2 LEU 41 2HB LEU 41 11.860 7.903 -2.762 322 HB3 LEU 41 1HB LEU 41 11.311 9.142 -3.875 323 HG LEU 41 HG LEU 41 10.207 6.328 -3.689 324 HD11 LEU 41 1HD1 LEU 41 8.189 7.408 -2.823 325 HD12 LEU 41 2HD1 LEU 41 9.005 8.971 -2.858 326 HD13 LEU 41 3HD1 LEU 41 9.577 7.701 -1.776 327 HD21 LEU 41 3HD2 LEU 41 8.495 7.123 -5.266 328 HD22 LEU 41 1HD2 LEU 41 10.109 7.167 -5.976 329 HD23 LEU 41 2HD2 LEU 41 9.352 8.660 -5.416 330 H GLN 42 H GLN 42 14.609 7.354 -3.338 331 HA GLN 42 HA GLN 42 15.629 9.892 -3.204 332 HB2 GLN 42 2HB GLN 42 17.051 7.242 -3.164 333 HB3 GLN 42 1HB GLN 42 17.921 8.754 -2.940 334 HG2 GLN 42 2HG GLN 42 16.498 9.274 -1.009 335 HG3 GLN 42 1HG GLN 42 15.663 7.736 -1.221 336 HE21 GLN 42 1HE2 GLN 42 18.691 9.250 -0.398 337 HE22 GLN 42 2HE2 GLN 42 19.370 7.890 0.423 338 HA PRO 43 HA PRO 43 18.450 9.287 -7.152 339 HB2 PRO 43 2HB PRO 43 16.976 7.248 -8.710 340 HB3 PRO 43 1HB PRO 43 18.708 7.397 -8.408 341 HG2 PRO 43 2HG PRO 43 17.248 5.483 -7.230 342 HG3 PRO 43 1HG PRO 43 18.581 6.285 -6.374 343 HD2 PRO 43 2HD PRO 43 15.626 6.752 -6.151 344 HD3 PRO 43 1HD PRO 43 16.851 6.665 -4.867 345 H ILE 44 H ILE 44 15.035 9.423 -7.010 346 HA ILE 44 HA ILE 44 14.869 10.866 -9.588 347 HB ILE 44 HB ILE 44 12.651 9.474 -8.064 348 HG12 ILE 44 2HG1 ILE 44 14.031 8.688 -10.653 349 HG13 ILE 44 1HG1 ILE 44 14.275 7.907 -9.094 350 HG21 ILE 44 1HG2 ILE 44 11.827 11.405 -9.297 351 HG22 ILE 44 2HG2 ILE 44 11.281 9.911 -10.057 352 HG23 ILE 44 3HG2 ILE 44 12.613 10.826 -10.766 353 HD11 ILE 44 3HD1 ILE 44 12.795 6.602 -10.486 354 HD12 ILE 44 1HD1 ILE 44 11.705 7.976 -10.663 355 HD13 ILE 44 2HD1 ILE 44 11.923 7.220 -9.085 356 H THR 45 H THR 45 13.189 10.813 -6.439 357 HA THR 45 HA THR 45 12.304 13.539 -6.694 358 HB THR 45 HB THR 45 11.149 13.183 -4.592 359 HG1 THR 45 HG1 THR 45 11.507 11.122 -3.488 360 HG21 THR 45 3HG2 THR 45 11.075 10.672 -6.284 361 HG22 THR 45 1HG2 THR 45 10.138 12.141 -6.567 362 HG23 THR 45 2HG2 THR 45 9.842 11.169 -5.124 363 H ASN 46 H ASN 46 15.089 12.033 -5.375 364 HA ASN 46 HA ASN 46 16.986 12.870 -4.450 365 HB2 ASN 46 2HB ASN 46 15.749 15.497 -5.289 366 HB3 ASN 46 1HB ASN 46 17.385 15.346 -4.657 367 HD21 ASN 46 1HD2 ASN 46 15.275 14.623 -7.330 368 HD22 ASN 46 2HD2 ASN 46 16.525 14.224 -8.451 369 H VAL 47 H VAL 47 14.689 12.407 -2.686 370 HA VAL 47 HA VAL 47 15.465 14.221 -0.482 371 HB VAL 47 HB VAL 47 13.142 14.535 -0.942 372 HG11 VAL 47 1HG1 VAL 47 12.662 12.519 -2.185 373 HG12 VAL 47 2HG1 VAL 47 11.500 12.701 -0.871 374 HG13 VAL 47 3HG1 VAL 47 12.821 11.544 -0.727 375 HG21 VAL 47 3HG2 VAL 47 13.438 12.778 1.502 376 HG22 VAL 47 1HG2 VAL 47 12.105 13.890 1.190 377 HG23 VAL 47 2HG2 VAL 47 13.737 14.515 1.425 378 H LEU 48 H LEU 48 16.165 13.371 1.441 379 HA LEU 48 HA LEU 48 17.315 10.760 1.342 380 HB2 LEU 48 2HB LEU 48 17.109 12.760 3.600 381 HB3 LEU 48 1HB LEU 48 18.059 11.287 3.672 382 HG LEU 48 HG LEU 48 18.523 13.579 1.751 383 HD11 LEU 48 1HD1 LEU 48 20.069 12.715 4.199 384 HD12 LEU 48 2HD1 LEU 48 19.105 14.183 4.033 385 HD13 LEU 48 3HD1 LEU 48 20.560 13.973 3.062 386 HD21 LEU 48 3HD2 LEU 48 20.088 11.030 2.200 387 HD22 LEU 48 1HD2 LEU 48 20.599 12.380 1.184 388 HD23 LEU 48 2HD2 LEU 48 19.162 11.453 0.760 389 HA PRO 49 HA PRO 49 14.273 8.184 3.341 390 HB2 PRO 49 2HB PRO 49 15.835 6.714 5.073 391 HB3 PRO 49 1HB PRO 49 15.704 6.390 3.340 392 HG2 PRO 49 2HG PRO 49 17.827 7.889 4.834 393 HG3 PRO 49 1HG PRO 49 18.004 6.716 3.514 394 HD2 PRO 49 2HD PRO 49 18.188 9.359 3.072 395 HD3 PRO 49 1HD PRO 49 17.437 8.273 1.885 396 H ARG 50 H ARG 50 16.592 9.846 5.451 397 HA ARG 50 HA ARG 50 15.197 9.800 7.868 398 HB2 ARG 50 2HB ARG 50 17.432 10.648 7.829 399 HB3 ARG 50 1HB ARG 50 17.023 11.875 6.640 400 HG2 ARG 50 2HG ARG 50 17.321 12.912 8.786 401 HG3 ARG 50 1HG ARG 50 15.619 13.005 8.333 402 HD2 ARG 50 2HD ARG 50 15.185 11.023 9.771 403 HD3 ARG 50 1HD ARG 50 16.872 11.068 10.287 404 HE ARG 50 HE ARG 50 15.106 13.381 10.704 405 HH11 ARG 50 1HH1 ARG 50 17.124 10.911 12.026 406 HH12 ARG 50 2HH1 ARG 50 17.211 11.680 13.573 407 HH21 ARG 50 1HH2 ARG 50 15.234 14.336 12.683 408 HH22 ARG 50 2HH2 ARG 50 16.155 13.584 13.944 409 H GLY 51 H GLY 51 14.983 12.177 5.215 410 HA2 GLY 51 2HA GLY 51 12.873 13.690 6.414 411 HA3 GLY 51 1HA GLY 51 13.421 13.804 4.749 412 H GLN 52 H GLN 52 12.958 11.161 3.924 413 HA GLN 52 HA GLN 52 10.293 11.326 3.103 414 HB2 GLN 52 2HB GLN 52 12.261 9.052 3.028 415 HB3 GLN 52 1HB GLN 52 10.629 8.886 2.395 416 HG2 GLN 52 2HG GLN 52 11.063 10.782 0.870 417 HG3 GLN 52 1HG GLN 52 12.725 10.837 1.462 418 HE21 GLN 52 1HE2 GLN 52 14.166 9.275 0.797 419 HE22 GLN 52 2HE2 GLN 52 13.822 8.156 -0.474 420 H LYS 53 H LYS 53 9.048 11.597 4.979 421 HA LYS 53 HA LYS 53 8.546 9.170 6.552 422 HB2 LYS 53 2HB LYS 53 7.685 12.046 6.898 423 HB3 LYS 53 1HB LYS 53 6.997 10.735 7.848 424 HG2 LYS 53 2HG LYS 53 9.109 10.225 8.826 425 HG3 LYS 53 1HG LYS 53 9.950 11.330 7.737 426 HD2 LYS 53 2HD LYS 53 7.861 12.209 9.735 427 HD3 LYS 53 1HD LYS 53 9.591 12.193 10.076 428 HE2 LYS 53 2HE LYS 53 8.220 13.773 7.898 429 HE3 LYS 53 1HE LYS 53 8.856 14.419 9.411 430 HZ1 LYS 53 3HZ LYS 53 10.440 14.827 7.702 431 HZ2 LYS 53 1HZ LYS 53 10.410 13.216 7.189 432 HZ3 LYS 53 2HZ LYS 53 11.074 13.613 8.690 433 H LEU 54 H LEU 54 7.393 7.847 5.200 434 HA LEU 54 HA LEU 54 5.142 8.737 3.673 435 HB2 LEU 54 2HB LEU 54 6.071 5.969 4.464 436 HB3 LEU 54 1HB LEU 54 4.691 6.266 3.420 437 HG LEU 54 HG LEU 54 7.536 7.106 2.802 438 HD11 LEU 54 1HD1 LEU 54 5.900 4.840 1.658 439 HD12 LEU 54 2HD1 LEU 54 7.273 4.671 2.755 440 HD13 LEU 54 3HD1 LEU 54 7.514 5.329 1.137 441 HD21 LEU 54 3HD2 LEU 54 5.855 8.574 1.797 442 HD22 LEU 54 1HD2 LEU 54 5.044 7.175 1.095 443 HD23 LEU 54 2HD2 LEU 54 6.673 7.604 0.572 444 H ILE 55 H ILE 55 3.591 9.677 4.860 445 HA ILE 55 HA ILE 55 2.581 8.352 7.274 446 HB ILE 55 HB ILE 55 2.040 11.139 6.218 447 HG12 ILE 55 2HG1 ILE 55 3.811 10.213 8.501 448 HG13 ILE 55 1HG1 ILE 55 4.387 10.784 6.941 449 HG21 ILE 55 1HG2 ILE 55 1.079 11.561 8.454 450 HG22 ILE 55 2HG2 ILE 55 1.288 9.852 8.848 451 HG23 ILE 55 3HG2 ILE 55 0.182 10.333 7.557 452 HD11 ILE 55 3HD1 ILE 55 3.411 12.988 7.414 453 HD12 ILE 55 1HD1 ILE 55 4.613 12.503 8.611 454 HD13 ILE 55 2HD1 ILE 55 2.892 12.400 8.993 455 H PHE 56 H PHE 56 0.833 7.109 7.095 456 HA PHE 56 HA PHE 56 -1.333 7.938 5.274 457 HB2 PHE 56 2HB PHE 56 -0.072 6.035 4.280 458 HB3 PHE 56 1HB PHE 56 -0.429 5.077 5.711 459 HD1 PHE 56 HD1 PHE 56 -2.402 7.232 3.366 460 HD2 PHE 56 HD2 PHE 56 -2.044 3.477 5.351 461 HE1 PHE 56 HE1 PHE 56 -4.489 6.474 2.304 462 HE2 PHE 56 HE2 PHE 56 -4.131 2.718 4.296 463 HZ PHE 56 HZ PHE 56 -5.357 4.216 2.771 464 H LYS 57 H LYS 57 -3.294 8.031 6.221 465 HA LYS 57 HA LYS 57 -4.869 8.075 7.857 466 HB2 LYS 57 2HB LYS 57 -3.611 5.419 8.589 467 HB3 LYS 57 1HB LYS 57 -5.116 6.021 9.272 468 HG2 LYS 57 2HG LYS 57 -4.603 5.375 6.367 469 HG3 LYS 57 1HG LYS 57 -5.560 4.423 7.502 470 HD2 LYS 57 2HD LYS 57 -7.127 6.317 7.742 471 HD3 LYS 57 1HD LYS 57 -6.182 7.234 6.568 472 HE2 LYS 57 2HE LYS 57 -8.088 6.280 5.452 473 HE3 LYS 57 1HE LYS 57 -6.636 5.454 4.889 474 HZ1 LYS 57 3HZ LYS 57 -7.137 3.613 6.355 475 HZ2 LYS 57 1HZ LYS 57 -8.464 3.919 5.354 476 HZ3 LYS 57 2HZ LYS 57 -8.490 4.420 6.965 477 H GLY 58 H GLY 58 -2.095 9.151 8.392 478 HA2 GLY 58 2HA GLY 58 -1.547 10.653 10.117 479 HA3 GLY 58 1HA GLY 58 -2.620 9.784 11.196 480 H LYS 59 H LYS 59 -0.627 7.576 9.621 481 HA LYS 59 HA LYS 59 1.327 7.629 11.844 482 HB2 LYS 59 2HB LYS 59 -0.222 5.798 12.184 483 HB3 LYS 59 1HB LYS 59 0.021 5.230 10.537 484 HG2 LYS 59 2HG LYS 59 2.381 4.733 11.087 485 HG3 LYS 59 1HG LYS 59 2.080 5.240 12.748 486 HD2 LYS 59 2HD LYS 59 0.656 2.976 11.340 487 HD3 LYS 59 1HD LYS 59 2.010 2.784 12.452 488 HE2 LYS 59 2HE LYS 59 -0.668 4.005 13.139 489 HE3 LYS 59 1HE LYS 59 -0.148 2.371 13.548 490 HZ1 LYS 59 3HZ LYS 59 0.134 3.866 15.414 491 HZ2 LYS 59 1HZ LYS 59 1.127 4.885 14.498 492 HZ3 LYS 59 2HZ LYS 59 1.640 3.317 14.880 493 H VAL 60 H VAL 60 3.464 7.366 11.363 494 HA VAL 60 HA VAL 60 4.319 7.184 8.594 495 HB VAL 60 HB VAL 60 6.002 7.170 11.121 496 HG11 VAL 60 1HG1 VAL 60 7.222 6.243 9.250 497 HG12 VAL 60 2HG1 VAL 60 7.843 7.854 9.608 498 HG13 VAL 60 3HG1 VAL 60 6.769 7.610 8.229 499 HG21 VAL 60 3HG2 VAL 60 4.682 9.227 10.936 500 HG22 VAL 60 1HG2 VAL 60 5.299 9.483 9.303 501 HG23 VAL 60 2HG2 VAL 60 6.398 9.547 10.681 502 H LEU 61 H LEU 61 4.317 5.240 7.619 503 HA LEU 61 HA LEU 61 3.869 2.843 9.025 504 HB2 LEU 61 2HB LEU 61 4.684 3.307 6.156 505 HB3 LEU 61 1HB LEU 61 4.267 1.730 6.800 506 HG LEU 61 HG LEU 61 2.330 2.496 5.698 507 HD11 LEU 61 1HD1 LEU 61 1.924 3.101 8.628 508 HD12 LEU 61 2HD1 LEU 61 1.881 1.501 7.883 509 HD13 LEU 61 3HD1 LEU 61 0.665 2.703 7.455 510 HD21 LEU 61 3HD2 LEU 61 1.300 4.668 6.030 511 HD22 LEU 61 1HD2 LEU 61 2.963 4.857 5.478 512 HD23 LEU 61 2HD2 LEU 61 2.560 5.121 7.177 513 H VAL 62 H VAL 62 5.085 1.063 9.445 514 HA VAL 62 HA VAL 62 7.768 1.489 10.225 515 HB VAL 62 HB VAL 62 6.237 -1.113 9.988 516 HG11 VAL 62 1HG1 VAL 62 8.729 -0.458 11.565 517 HG12 VAL 62 2HG1 VAL 62 8.644 -1.498 10.144 518 HG13 VAL 62 3HG1 VAL 62 7.839 -1.979 11.638 519 HG21 VAL 62 3HG2 VAL 62 6.589 0.746 12.348 520 HG22 VAL 62 1HG2 VAL 62 5.775 -0.819 12.382 521 HG23 VAL 62 2HG2 VAL 62 5.103 0.505 11.429 522 H GLU 63 H GLU 63 9.694 0.670 9.438 523 HA GLU 63 HA GLU 63 10.121 0.902 6.727 524 HB2 GLU 63 2HB GLU 63 11.830 -0.511 8.778 525 HB3 GLU 63 1HB GLU 63 12.381 -0.018 7.182 526 HG2 GLU 63 2HG GLU 63 12.128 2.291 7.717 527 HG3 GLU 63 1HG GLU 63 11.293 1.913 9.222 528 H THR 64 H THR 64 9.879 -2.181 8.561 529 HA THR 64 HA THR 64 10.306 -3.752 6.160 530 HB THR 64 HB THR 64 9.919 -5.729 7.583 531 HG1 THR 64 HG1 THR 64 8.698 -5.407 9.277 532 HG21 THR 64 3HG2 THR 64 11.787 -3.711 8.839 533 HG22 THR 64 1HG2 THR 64 12.163 -4.739 7.456 534 HG23 THR 64 2HG2 THR 64 11.862 -5.462 9.035 535 H SER 65 H SER 65 7.667 -2.066 7.002 536 HA SER 65 HA SER 65 5.681 -4.140 6.439 537 HB2 SER 65 2HB SER 65 5.165 -2.465 8.176 538 HB3 SER 65 1HB SER 65 5.291 -1.180 6.974 539 HG SER 65 HG SER 65 3.417 -1.778 6.106 540 H THR 66 H THR 66 4.752 -4.476 4.497 541 HA THR 66 HA THR 66 5.609 -2.856 2.224 542 HB THR 66 HB THR 66 4.638 -4.534 0.800 543 HG1 THR 66 HG1 THR 66 3.668 -6.391 2.328 544 HG21 THR 66 3HG2 THR 66 6.783 -5.152 1.796 545 HG22 THR 66 1HG2 THR 66 5.772 -6.579 1.574 546 HG23 THR 66 2HG2 THR 66 5.953 -5.868 3.177 547 H LEU 67 H LEU 67 3.964 -2.230 0.546 548 HA LEU 67 HA LEU 67 2.002 -0.517 1.613 549 HB2 LEU 67 2HB LEU 67 2.276 -1.642 -1.184 550 HB3 LEU 67 1HB LEU 67 1.110 -0.411 -0.745 551 HG LEU 67 HG LEU 67 2.916 0.707 -1.791 552 HD11 LEU 67 1HD1 LEU 67 2.045 1.861 0.155 553 HD12 LEU 67 2HD1 LEU 67 3.765 2.186 -0.044 554 HD13 LEU 67 3HD1 LEU 67 3.222 1.049 1.190 555 HD21 LEU 67 3HD2 LEU 67 4.815 -0.678 0.104 556 HD22 LEU 67 1HD2 LEU 67 5.241 0.495 -1.139 557 HD23 LEU 67 2HD2 LEU 67 4.591 -1.077 -1.599 558 H LYS 68 H LYS 68 1.724 -3.756 0.216 559 HA LYS 68 HA LYS 68 -1.101 -3.927 0.327 560 HB2 LYS 68 2HB LYS 68 0.373 -5.343 -1.083 561 HB3 LYS 68 1HB LYS 68 0.934 -6.168 0.362 562 HG2 LYS 68 2HG LYS 68 -1.181 -7.167 0.730 563 HG3 LYS 68 1HG LYS 68 -1.962 -6.112 -0.451 564 HD2 LYS 68 2HD LYS 68 -1.609 -8.383 -1.338 565 HD3 LYS 68 1HD LYS 68 -0.726 -7.166 -2.260 566 HE2 LYS 68 2HE LYS 68 1.310 -7.740 -0.914 567 HE3 LYS 68 1HE LYS 68 0.397 -9.068 -0.200 568 HZ1 LYS 68 3HZ LYS 68 1.090 -8.728 -3.066 569 HZ2 LYS 68 1HZ LYS 68 0.087 -9.951 -2.466 570 HZ3 LYS 68 2HZ LYS 68 1.710 -9.885 -2.007 571 H GLN 69 H GLN 69 1.408 -4.569 2.699 572 HA GLN 69 HA GLN 69 -0.410 -5.721 4.645 573 HB2 GLN 69 2HB GLN 69 2.432 -4.707 4.894 574 HB3 GLN 69 1HB GLN 69 1.545 -5.489 6.193 575 HG2 GLN 69 2HG GLN 69 1.436 -7.549 4.950 576 HG3 GLN 69 1HG GLN 69 2.175 -6.782 3.543 577 HE21 GLN 69 1HE2 GLN 69 3.060 -9.082 5.120 578 HE22 GLN 69 2HE2 GLN 69 4.648 -8.693 5.676 579 H SER 70 H SER 70 0.498 -2.572 3.658 580 HA SER 70 HA SER 70 -0.255 -1.317 6.199 581 HB2 SER 70 2HB SER 70 1.788 -0.533 5.086 582 HB3 SER 70 1HB SER 70 0.854 -0.105 3.651 583 HG SER 70 HG SER 70 -0.327 1.364 5.038 584 H ASP 71 H ASP 71 -2.153 -2.558 4.074 585 HA ASP 71 HA ASP 71 -4.251 -2.182 3.276 586 HB2 ASP 71 2HB ASP 71 -4.090 0.097 5.254 587 HB3 ASP 71 1HB ASP 71 -5.554 -0.290 4.356 588 H VAL 72 H VAL 72 -1.814 -0.749 2.124 589 HA VAL 72 HA VAL 72 -3.047 1.528 0.763 590 HB VAL 72 HB VAL 72 -0.211 0.470 0.635 591 HG11 VAL 72 1HG1 VAL 72 0.341 2.593 -0.463 592 HG12 VAL 72 2HG1 VAL 72 -1.366 3.036 -0.467 593 HG13 VAL 72 3HG1 VAL 72 -0.813 1.653 -1.411 594 HG21 VAL 72 3HG2 VAL 72 -0.748 1.346 2.840 595 HG22 VAL 72 1HG2 VAL 72 -1.357 2.840 2.124 596 HG23 VAL 72 2HG2 VAL 72 0.357 2.436 2.003 597 H GLY 73 H GLY 73 -3.982 1.296 -1.195 598 HA2 GLY 73 2HA GLY 73 -2.956 -0.704 -3.078 599 HA3 GLY 73 1HA GLY 73 -4.620 -0.890 -2.550 600 H SER 74 H SER 74 -5.220 -0.682 -4.773 601 HA SER 74 HA SER 74 -4.610 1.407 -6.496 602 HB2 SER 74 2HB SER 74 -6.761 0.826 -7.654 603 HB3 SER 74 1HB SER 74 -5.733 -0.565 -7.310 604 HG SER 74 HG SER 74 -7.830 -1.069 -6.727 605 H GLY 75 H GLY 75 -4.833 3.515 -6.174 606 HA2 GLY 75 2HA GLY 75 -5.983 5.525 -5.974 607 HA3 GLY 75 1HA GLY 75 -7.415 4.642 -5.471 608 H ALA 76 H ALA 76 -4.298 4.204 -3.903 609 HA ALA 76 HA ALA 76 -5.415 5.063 -1.375 610 HB1 ALA 76 3HB ALA 76 -3.974 3.078 -1.510 611 HB2 ALA 76 1HB ALA 76 -3.342 4.286 -0.393 612 HB3 ALA 76 2HB ALA 76 -2.623 4.105 -1.992 613 H LYS 77 H LYS 77 -5.367 7.072 -0.655 614 HA LYS 77 HA LYS 77 -3.685 9.094 -1.863 615 HB2 LYS 77 2HB LYS 77 -5.664 9.276 0.423 616 HB3 LYS 77 1HB LYS 77 -4.890 10.648 -0.359 617 HG2 LYS 77 2HG LYS 77 -6.003 10.120 -2.454 618 HG3 LYS 77 1HG LYS 77 -6.730 8.687 -1.727 619 HD2 LYS 77 2HD LYS 77 -7.193 11.485 -0.688 620 HD3 LYS 77 1HD LYS 77 -8.220 10.728 -1.902 621 HE2 LYS 77 2HE LYS 77 -9.251 10.464 0.256 622 HE3 LYS 77 1HE LYS 77 -8.696 8.890 -0.304 623 HZ1 LYS 77 3HZ LYS 77 -8.260 9.485 2.099 624 HZ2 LYS 77 1HZ LYS 77 -7.077 10.551 1.539 625 HZ3 LYS 77 2HZ LYS 77 -6.945 8.892 1.229 626 H LEU 78 H LEU 78 -1.570 8.687 -1.266 627 HA LEU 78 HA LEU 78 -0.886 8.322 1.549 628 HB2 LEU 78 2HB LEU 78 0.883 8.362 -0.901 629 HB3 LEU 78 1HB LEU 78 1.398 7.943 0.723 630 HG LEU 78 HG LEU 78 -0.580 6.389 -0.962 631 HD11 LEU 78 1HD1 LEU 78 2.246 5.732 -0.128 632 HD12 LEU 78 2HD1 LEU 78 1.725 6.186 -1.753 633 HD13 LEU 78 3HD1 LEU 78 1.157 4.679 -1.033 634 HD21 LEU 78 3HD2 LEU 78 -0.495 4.716 0.819 635 HD22 LEU 78 1HD2 LEU 78 -1.124 6.252 1.418 636 HD23 LEU 78 2HD2 LEU 78 0.538 5.779 1.778 637 H MET 79 H MET 79 0.663 9.634 2.652 638 HA MET 79 HA MET 79 1.009 12.359 1.542 639 HB2 MET 79 2HB MET 79 -0.613 12.312 3.398 640 HB3 MET 79 1HB MET 79 0.588 11.556 4.434 641 HG2 MET 79 2HG MET 79 1.984 13.556 4.277 642 HG3 MET 79 1HG MET 79 0.786 14.312 3.227 643 HE1 MET 79 3HE MET 79 -2.304 14.550 5.673 644 HE2 MET 79 1HE MET 79 -1.912 13.246 4.554 645 HE3 MET 79 2HE MET 79 -1.721 14.926 4.053 646 H LEU 80 H LEU 80 3.100 12.859 1.199 647 HA LEU 80 HA LEU 80 5.150 11.510 2.852 648 HB2 LEU 80 2HB LEU 80 5.215 10.655 0.590 649 HB3 LEU 80 1HB LEU 80 5.265 12.278 -0.068 650 HG LEU 80 HG LEU 80 7.506 12.618 0.858 651 HD11 LEU 80 1HD1 LEU 80 8.739 10.783 1.891 652 HD12 LEU 80 2HD1 LEU 80 7.290 9.776 1.852 653 HD13 LEU 80 3HD1 LEU 80 7.330 11.229 2.853 654 HD21 LEU 80 3HD2 LEU 80 7.295 11.678 -1.382 655 HD22 LEU 80 1HD2 LEU 80 7.271 10.047 -0.709 656 HD23 LEU 80 2HD2 LEU 80 8.719 11.043 -0.560 657 H MET 81 H MET 81 6.029 12.918 4.229 658 HA MET 81 HA MET 81 6.173 15.740 3.659 659 HB2 MET 81 2HB MET 81 5.820 14.976 5.958 660 HB3 MET 81 1HB MET 81 7.370 14.146 5.940 661 HG2 MET 81 2HG MET 81 8.495 16.328 5.627 662 HG3 MET 81 1HG MET 81 6.928 17.122 5.747 663 HE1 MET 81 3HE MET 81 8.858 17.954 9.111 664 HE2 MET 81 1HE MET 81 8.070 18.657 7.698 665 HE3 MET 81 2HE MET 81 9.558 17.729 7.509 666 H ALA 82 H ALA 82 7.420 15.678 1.711 667 HA ALA 82 HA ALA 82 10.315 15.291 2.172 668 HB1 ALA 82 3HB ALA 82 8.818 15.200 -0.453 669 HB2 ALA 82 1HB ALA 82 9.417 13.803 0.442 670 HB3 ALA 82 2HB ALA 82 10.553 14.967 -0.237 671 H SER 83 H SER 83 11.176 17.221 2.662 672 HA SER 83 HA SER 83 10.609 19.521 0.921 673 HB2 SER 83 2HB SER 83 9.085 19.836 2.788 674 HB3 SER 83 1HB SER 83 10.390 19.583 3.944 675 HG SER 83 HG SER 83 10.091 21.776 3.726 676 H GLN 84 H GLN 84 12.115 21.359 1.351 677 HA GLN 84 HA GLN 84 14.809 20.348 1.952 678 HB2 GLN 84 2HB GLN 84 15.605 22.385 0.801 679 HB3 GLN 84 1HB GLN 84 14.573 21.392 -0.217 680 HG2 GLN 84 2HG GLN 84 12.684 22.916 0.264 681 HG3 GLN 84 1HG GLN 84 13.775 23.930 1.208 682 HE21 GLN 84 1HE2 GLN 84 12.246 24.585 -1.189 683 HE22 GLN 84 2HE2 GLN 84 13.404 25.103 -2.361 684 H GLY 85 H GLY 85 12.357 22.073 3.458 685 HA2 GLY 85 2HA GLY 85 14.001 22.802 5.693 686 HA3 GLY 85 1HA GLY 85 13.518 24.214 4.764 Start of MODEL 15 1 H1 MET 1 1H MET 1 -18.635 -9.931 -24.598 2 H2 MET 1 2H MET 1 -18.856 -9.129 -23.122 3 H3 MET 1 3H MET 1 -20.065 -9.073 -24.297 4 HA MET 1 HA MET 1 -20.630 -10.600 -22.502 5 HB2 MET 1 2HB MET 1 -20.056 -11.926 -25.167 6 HB3 MET 1 1HB MET 1 -21.124 -12.580 -23.933 7 HG2 MET 1 2HG MET 1 -22.572 -10.612 -24.161 8 HG3 MET 1 1HG MET 1 -21.507 -9.989 -25.423 9 HE1 MET 1 3HE MET 1 -23.514 -9.762 -27.147 10 HE2 MET 1 1HE MET 1 -24.610 -10.301 -25.874 11 HE3 MET 1 2HE MET 1 -24.669 -11.058 -27.464 12 H GLY 2 H GLY 2 -20.204 -13.295 -22.398 13 HA2 GLY 2 2HA GLY 2 -18.590 -15.007 -22.161 14 HA3 GLY 2 1HA GLY 2 -17.319 -13.799 -22.204 15 H HIS 3 H HIS 3 -19.070 -15.876 -20.236 16 HA HIS 3 HA HIS 3 -18.975 -14.462 -17.765 17 HB2 HIS 3 2HB HIS 3 -20.463 -16.372 -18.049 18 HB3 HIS 3 1HB HIS 3 -19.090 -17.439 -18.325 19 HD1 HIS 3 HD1 HIS 3 -18.032 -18.479 -16.294 20 HD2 HIS 3 HD2 HIS 3 -20.631 -15.388 -15.318 21 HE1 HIS 3 HE1 HIS 3 -18.222 -18.526 -13.795 22 HE2 HIS 3 HE2 HIS 3 -19.674 -16.561 -13.221 23 H HIS 4 H HIS 4 -17.252 -13.983 -16.541 24 HA HIS 4 HA HIS 4 -14.725 -15.442 -16.990 25 HB2 HIS 4 2HB HIS 4 -15.227 -12.699 -15.802 26 HB3 HIS 4 1HB HIS 4 -13.643 -13.449 -15.962 27 HD1 HIS 4 HD1 HIS 4 -16.014 -11.343 -17.744 28 HD2 HIS 4 HD2 HIS 4 -12.884 -13.883 -18.761 29 HE1 HIS 4 HE1 HIS 4 -15.394 -10.742 -20.101 30 HE2 HIS 4 HE2 HIS 4 -13.518 -12.298 -20.705 31 H HIS 5 H HIS 5 -13.273 -15.177 -14.825 32 HA HIS 5 HA HIS 5 -14.905 -16.045 -12.524 33 HB2 HIS 5 2HB HIS 5 -13.224 -17.815 -12.023 34 HB3 HIS 5 1HB HIS 5 -14.108 -18.089 -13.517 35 HD1 HIS 5 HD1 HIS 5 -12.778 -18.099 -15.696 36 HD2 HIS 5 HD2 HIS 5 -10.466 -17.231 -12.353 37 HE1 HIS 5 HE1 HIS 5 -10.397 -18.225 -16.473 38 HE2 HIS 5 HE2 HIS 5 -9.021 -17.882 -14.400 39 H HIS 6 H HIS 6 -14.259 -15.349 -10.553 40 HA HIS 6 HA HIS 6 -12.456 -13.103 -10.532 41 HB2 HIS 6 2HB HIS 6 -13.957 -14.346 -8.216 42 HB3 HIS 6 1HB HIS 6 -13.250 -12.734 -8.267 43 HD1 HIS 6 HD1 HIS 6 -16.245 -14.667 -9.254 44 HD2 HIS 6 HD2 HIS 6 -14.683 -10.866 -9.881 45 HE1 HIS 6 HE1 HIS 6 -18.137 -13.312 -10.191 46 HE2 HIS 6 HE2 HIS 6 -17.128 -11.069 -10.711 47 H HIS 7 H HIS 7 -10.479 -12.920 -9.623 48 HA HIS 7 HA HIS 7 -9.393 -14.827 -7.757 49 HB2 HIS 7 2HB HIS 7 -7.499 -15.550 -9.162 50 HB3 HIS 7 1HB HIS 7 -9.033 -16.060 -9.859 51 HD1 HIS 7 HD1 HIS 7 -6.127 -13.769 -10.466 52 HD2 HIS 7 HD2 HIS 7 -9.682 -14.875 -12.321 53 HE1 HIS 7 HE1 HIS 7 -5.994 -12.838 -12.790 54 HE2 HIS 7 HE2 HIS 7 -8.036 -13.727 -13.951 55 H HIS 8 H HIS 8 -7.327 -14.115 -6.875 56 HA HIS 8 HA HIS 8 -6.948 -11.328 -6.791 57 HB2 HIS 8 2HB HIS 8 -4.718 -11.911 -5.708 58 HB3 HIS 8 1HB HIS 8 -6.158 -12.547 -4.927 59 HD1 HIS 8 HD1 HIS 8 -6.001 -14.914 -4.282 60 HD2 HIS 8 HD2 HIS 8 -3.472 -14.038 -7.463 61 HE1 HIS 8 HE1 HIS 8 -4.706 -17.021 -4.715 62 HE2 HIS 8 HE2 HIS 8 -3.110 -16.436 -6.566 63 H SER 9 H SER 9 -5.604 -9.937 -7.862 64 HA SER 9 HA SER 9 -4.212 -11.041 -10.231 65 HB2 SER 9 2HB SER 9 -5.552 -8.331 -9.977 66 HB3 SER 9 1HB SER 9 -4.759 -8.967 -11.418 67 HG SER 9 HG SER 9 -7.191 -9.742 -10.225 68 H HIS 10 H HIS 10 -2.103 -11.092 -9.625 69 HA HIS 10 HA HIS 10 -0.894 -9.123 -7.940 70 HB2 HIS 10 2HB HIS 10 -0.136 -11.476 -8.005 71 HB3 HIS 10 1HB HIS 10 0.418 -11.243 -9.660 72 HD1 HIS 10 HD1 HIS 10 2.758 -10.414 -9.949 73 HD2 HIS 10 HD2 HIS 10 1.356 -9.848 -6.077 74 HE1 HIS 10 HE1 HIS 10 4.732 -9.596 -8.632 75 HE2 HIS 10 HE2 HIS 10 3.813 -9.088 -6.345 76 H SER 11 H SER 11 -1.020 -7.092 -8.856 77 HA SER 11 HA SER 11 0.788 -6.605 -11.123 78 HB2 SER 11 2HB SER 11 -0.833 -4.990 -12.107 79 HB3 SER 11 1HB SER 11 -1.438 -6.645 -12.118 80 HG SER 11 HG SER 11 -3.119 -5.613 -11.285 81 H THR 12 H THR 12 0.758 -3.981 -11.406 82 HA THR 12 HA THR 12 1.820 -3.006 -8.877 83 HB THR 12 HB THR 12 2.538 -1.013 -10.246 84 HG1 THR 12 HG1 THR 12 1.651 -0.807 -12.150 85 HG21 THR 12 3HG2 THR 12 4.072 -2.874 -9.852 86 HG22 THR 12 1HG2 THR 12 4.299 -2.222 -11.475 87 HG23 THR 12 2HG2 THR 12 3.416 -3.732 -11.247 88 H ILE 13 H ILE 13 0.829 -1.631 -7.551 89 HA ILE 13 HA ILE 13 -1.842 -0.675 -8.225 90 HB ILE 13 HB ILE 13 -2.014 -0.098 -5.825 91 HG12 ILE 13 2HG1 ILE 13 0.779 -1.280 -5.639 92 HG13 ILE 13 1HG1 ILE 13 0.361 0.412 -5.393 93 HG21 ILE 13 1HG2 ILE 13 -2.052 -2.394 -4.978 94 HG22 ILE 13 2HG2 ILE 13 -1.073 -2.922 -6.346 95 HG23 ILE 13 3HG2 ILE 13 -2.703 -2.306 -6.614 96 HD11 ILE 13 3HD1 ILE 13 -0.523 -1.900 -3.676 97 HD12 ILE 13 1HD1 ILE 13 -0.978 -0.213 -3.438 98 HD13 ILE 13 2HD1 ILE 13 0.706 -0.703 -3.277 99 H LYS 14 H LYS 14 -2.399 1.413 -8.557 100 HA LYS 14 HA LYS 14 -0.306 3.434 -8.620 101 HB2 LYS 14 2HB LYS 14 -3.231 3.618 -9.376 102 HB3 LYS 14 1HB LYS 14 -2.028 4.871 -9.647 103 HG2 LYS 14 2HG LYS 14 -0.784 3.311 -11.113 104 HG3 LYS 14 1HG LYS 14 -2.074 2.126 -10.898 105 HD2 LYS 14 2HD LYS 14 -2.382 4.883 -12.102 106 HD3 LYS 14 1HD LYS 14 -2.336 3.364 -12.999 107 HE2 LYS 14 2HE LYS 14 -4.380 2.629 -11.928 108 HE3 LYS 14 1HE LYS 14 -4.407 4.075 -10.919 109 HZ1 LYS 14 3HZ LYS 14 -5.913 4.253 -12.802 110 HZ2 LYS 14 1HZ LYS 14 -4.625 4.043 -13.877 111 HZ3 LYS 14 2HZ LYS 14 -4.691 5.416 -12.895 112 H LEU 15 H LEU 15 0.156 4.600 -6.896 113 HA LEU 15 HA LEU 15 -1.929 5.154 -4.880 114 HB2 LEU 15 2HB LEU 15 1.081 5.296 -4.580 115 HB3 LEU 15 1HB LEU 15 -0.101 5.507 -3.300 116 HG LEU 15 HG LEU 15 0.420 2.934 -4.812 117 HD11 LEU 15 1HD1 LEU 15 2.227 3.514 -3.271 118 HD12 LEU 15 2HD1 LEU 15 1.319 2.117 -2.696 119 HD13 LEU 15 3HD1 LEU 15 1.062 3.701 -1.961 120 HD21 LEU 15 3HD2 LEU 15 -1.106 1.908 -3.192 121 HD22 LEU 15 1HD2 LEU 15 -1.926 3.135 -4.161 122 HD23 LEU 15 2HD2 LEU 15 -1.448 3.496 -2.502 123 H THR 16 H THR 16 -2.219 7.278 -4.113 124 HA THR 16 HA THR 16 -0.899 9.393 -5.719 125 HB THR 16 HB THR 16 -3.673 9.487 -4.495 126 HG1 THR 16 HG1 THR 16 -2.811 8.410 -6.778 127 HG21 THR 16 3HG2 THR 16 -3.923 11.578 -5.768 128 HG22 THR 16 1HG2 THR 16 -2.244 11.462 -6.296 129 HG23 THR 16 2HG2 THR 16 -2.618 11.703 -4.588 130 H VAL 17 H VAL 17 0.674 10.237 -4.464 131 HA VAL 17 HA VAL 17 0.167 10.548 -1.578 132 HB VAL 17 HB VAL 17 2.139 9.216 -2.153 133 HG11 VAL 17 1HG1 VAL 17 2.702 10.232 -4.303 134 HG12 VAL 17 2HG1 VAL 17 4.097 10.227 -3.223 135 HG13 VAL 17 3HG1 VAL 17 3.190 11.717 -3.484 136 HG21 VAL 17 3HG2 VAL 17 3.783 10.376 -0.762 137 HG22 VAL 17 1HG2 VAL 17 2.163 10.513 -0.080 138 HG23 VAL 17 2HG2 VAL 17 2.879 11.882 -0.932 139 H LYS 18 H LYS 18 0.172 12.496 -0.580 140 HA LYS 18 HA LYS 18 0.411 14.905 -2.211 141 HB2 LYS 18 2HB LYS 18 -0.398 14.527 0.683 142 HB3 LYS 18 1HB LYS 18 -0.349 16.080 -0.140 143 HG2 LYS 18 2HG LYS 18 -2.041 15.216 -1.756 144 HG3 LYS 18 1HG LYS 18 -2.158 13.750 -0.777 145 HD2 LYS 18 2HD LYS 18 -2.869 15.072 1.148 146 HD3 LYS 18 1HD LYS 18 -2.697 16.558 0.213 147 HE2 LYS 18 2HE LYS 18 -5.024 15.961 0.296 148 HE3 LYS 18 1HE LYS 18 -4.439 15.714 -1.348 149 HZ1 LYS 18 3HZ LYS 18 -4.757 13.571 0.684 150 HZ2 LYS 18 1HZ LYS 18 -4.284 13.362 -0.928 151 HZ3 LYS 18 2HZ LYS 18 -5.844 13.895 -0.571 152 H PHE 19 H PHE 19 2.340 15.803 -2.461 153 HA PHE 19 HA PHE 19 4.530 15.384 -0.625 154 HB2 PHE 19 2HB PHE 19 4.288 16.068 -3.349 155 HB3 PHE 19 1HB PHE 19 4.966 17.497 -2.588 156 HD1 PHE 19 HD1 PHE 19 7.031 17.081 -1.025 157 HD2 PHE 19 HD2 PHE 19 5.699 14.360 -4.022 158 HE1 PHE 19 HE1 PHE 19 9.266 16.066 -1.092 159 HE2 PHE 19 HE2 PHE 19 7.934 13.333 -4.081 160 HZ PHE 19 HZ PHE 19 9.723 14.188 -2.618 161 H GLY 20 H GLY 20 5.786 17.333 0.193 162 HA2 GLY 20 2HA GLY 20 4.426 18.913 1.957 163 HA3 GLY 20 1HA GLY 20 5.961 19.380 1.243 164 H GLY 21 H GLY 21 4.911 19.621 -1.478 165 HA2 GLY 21 2HA GLY 21 3.039 21.904 -1.167 166 HA3 GLY 21 1HA GLY 21 4.423 21.970 -2.246 167 H LYS 22 H LYS 22 4.238 19.424 -3.432 168 HA LYS 22 HA LYS 22 1.937 19.924 -5.196 169 HB2 LYS 22 2HB LYS 22 4.434 18.268 -5.646 170 HB3 LYS 22 1HB LYS 22 3.182 18.566 -6.843 171 HG2 LYS 22 2HG LYS 22 4.806 20.753 -5.549 172 HG3 LYS 22 1HG LYS 22 5.239 19.979 -7.075 173 HD2 LYS 22 2HD LYS 22 2.597 21.365 -6.587 174 HD3 LYS 22 1HD LYS 22 4.005 22.156 -7.302 175 HE2 LYS 22 2HE LYS 22 2.615 19.711 -8.415 176 HE3 LYS 22 1HE LYS 22 2.423 21.361 -9.013 177 HZ1 LYS 22 3HZ LYS 22 4.972 19.835 -8.972 178 HZ2 LYS 22 1HZ LYS 22 4.763 21.401 -9.577 179 HZ3 LYS 22 2HZ LYS 22 4.009 20.092 -10.337 180 H SER 23 H SER 23 1.286 17.745 -6.426 181 HA SER 23 HA SER 23 0.894 15.577 -4.445 182 HB2 SER 23 2HB SER 23 -1.343 15.161 -5.380 183 HB3 SER 23 1HB SER 23 -1.224 16.813 -4.778 184 HG SER 23 HG SER 23 -0.987 15.986 -7.495 185 H ILE 24 H ILE 24 1.872 13.746 -5.101 186 HA ILE 24 HA ILE 24 2.497 13.467 -7.975 187 HB ILE 24 HB ILE 24 3.959 12.285 -5.602 188 HG12 ILE 24 2HG1 ILE 24 4.249 14.724 -5.767 189 HG13 ILE 24 1HG1 ILE 24 5.744 13.886 -6.166 190 HG21 ILE 24 1HG2 ILE 24 5.682 11.659 -7.259 191 HG22 ILE 24 2HG2 ILE 24 4.615 12.209 -8.552 192 HG23 ILE 24 3HG2 ILE 24 4.146 10.840 -7.542 193 HD11 ILE 24 3HD1 ILE 24 5.347 15.759 -7.655 194 HD12 ILE 24 1HD1 ILE 24 3.801 15.065 -8.143 195 HD13 ILE 24 2HD1 ILE 24 5.307 14.235 -8.541 196 HA PRO 25 HA PRO 25 0.130 9.590 -7.743 197 HB2 PRO 25 2HB PRO 25 0.035 9.608 -10.619 198 HB3 PRO 25 1HB PRO 25 -1.272 9.960 -9.488 199 HG2 PRO 25 2HG PRO 25 -0.122 11.824 -11.170 200 HG3 PRO 25 1HG PRO 25 -0.982 12.221 -9.672 201 HD2 PRO 25 2HD PRO 25 1.971 12.002 -10.166 202 HD3 PRO 25 1HD PRO 25 1.075 13.197 -9.201 203 H LEU 26 H LEU 26 1.398 7.860 -7.323 204 HA LEU 26 HA LEU 26 3.547 7.152 -9.228 205 HB2 LEU 26 2HB LEU 26 3.334 6.591 -6.264 206 HB3 LEU 26 1HB LEU 26 4.604 5.968 -7.302 207 HG LEU 26 HG LEU 26 4.100 8.903 -6.756 208 HD11 LEU 26 1HD1 LEU 26 6.133 8.820 -5.403 209 HD12 LEU 26 2HD1 LEU 26 6.257 7.082 -5.673 210 HD13 LEU 26 3HD1 LEU 26 4.900 7.738 -4.756 211 HD21 LEU 26 3HD2 LEU 26 5.091 8.547 -8.943 212 HD22 LEU 26 1HD2 LEU 26 6.329 7.501 -8.242 213 HD23 LEU 26 2HD2 LEU 26 6.295 9.220 -7.841 214 H SER 27 H SER 27 4.077 4.776 -9.263 215 HA SER 27 HA SER 27 1.800 3.010 -8.700 216 HB2 SER 27 2HB SER 27 2.075 1.951 -10.978 217 HB3 SER 27 1HB SER 27 1.418 3.588 -11.005 218 HG SER 27 HG SER 27 3.790 2.621 -12.013 219 H VAL 28 H VAL 28 2.623 1.507 -7.381 220 HA VAL 28 HA VAL 28 5.258 0.318 -8.022 221 HB VAL 28 HB VAL 28 5.833 0.212 -5.656 222 HG11 VAL 28 1HG1 VAL 28 6.556 2.180 -6.903 223 HG12 VAL 28 2HG1 VAL 28 6.221 2.592 -5.223 224 HG13 VAL 28 3HG1 VAL 28 5.062 3.015 -6.481 225 HG21 VAL 28 3HG2 VAL 28 3.241 1.692 -5.161 226 HG22 VAL 28 1HG2 VAL 28 4.477 1.354 -3.946 227 HG23 VAL 28 2HG2 VAL 28 3.598 0.026 -4.703 228 H SER 29 H SER 29 5.570 -1.757 -6.583 229 HA SER 29 HA SER 29 3.118 -3.361 -6.834 230 HB2 SER 29 2HB SER 29 4.628 -5.329 -6.732 231 HB3 SER 29 1HB SER 29 5.049 -4.235 -8.049 232 HG SER 29 HG SER 29 6.895 -4.909 -6.900 233 HA PRO 30 HA PRO 30 2.482 -3.306 -2.463 234 HB2 PRO 30 2HB PRO 30 1.092 -5.663 -2.193 235 HB3 PRO 30 1HB PRO 30 0.388 -4.163 -2.800 236 HG2 PRO 30 2HG PRO 30 1.454 -6.516 -4.333 237 HG3 PRO 30 1HG PRO 30 -0.037 -5.587 -4.600 238 HD2 PRO 30 2HD PRO 30 2.150 -5.165 -6.097 239 HD3 PRO 30 1HD PRO 30 1.100 -3.817 -5.609 240 H ASP 31 H ASP 31 4.327 -5.758 -3.985 241 HA ASP 31 HA ASP 31 5.000 -7.275 -1.641 242 HB2 ASP 31 2HB ASP 31 6.274 -7.181 -4.387 243 HB3 ASP 31 1HB ASP 31 6.647 -8.368 -3.137 244 H CYS 32 H CYS 32 6.049 -4.265 -2.821 245 HA CYS 32 HA CYS 32 8.774 -4.473 -1.809 246 HB2 CYS 32 2HB CYS 32 7.261 -2.127 -2.983 247 HB3 CYS 32 1HB CYS 32 8.957 -2.089 -2.520 248 HG CYS 32 HG CYS 32 7.505 -3.648 -5.157 249 H THR 33 H THR 33 9.592 -3.490 0.032 250 HA THR 33 HA THR 33 7.715 -2.707 2.089 251 HB THR 33 HB THR 33 9.620 -2.425 3.556 252 HG1 THR 33 HG1 THR 33 11.777 -2.935 2.405 253 HG21 THR 33 3HG2 THR 33 10.689 -4.634 3.390 254 HG22 THR 33 1HG2 THR 33 10.052 -4.818 1.755 255 HG23 THR 33 2HG2 THR 33 8.948 -4.742 3.130 256 H VAL 34 H VAL 34 7.499 -0.622 3.024 257 HA VAL 34 HA VAL 34 7.626 1.565 1.268 258 HB VAL 34 HB VAL 34 7.095 2.981 3.193 259 HG11 VAL 34 1HG1 VAL 34 5.306 1.717 2.135 260 HG12 VAL 34 2HG1 VAL 34 5.014 1.860 3.868 261 HG13 VAL 34 3HG1 VAL 34 5.616 0.343 3.201 262 HG21 VAL 34 3HG2 VAL 34 6.923 2.030 5.451 263 HG22 VAL 34 1HG2 VAL 34 8.582 1.970 4.852 264 HG23 VAL 34 2HG2 VAL 34 7.594 0.507 4.863 265 H LYS 35 H LYS 35 9.981 0.344 3.551 266 HA LYS 35 HA LYS 35 11.759 2.549 3.538 267 HB2 LYS 35 2HB LYS 35 11.880 0.723 5.190 268 HB3 LYS 35 1HB LYS 35 12.353 -0.397 3.922 269 HG2 LYS 35 2HG LYS 35 14.434 0.802 3.585 270 HG3 LYS 35 1HG LYS 35 13.945 2.025 4.760 271 HD2 LYS 35 2HD LYS 35 15.510 0.441 5.766 272 HD3 LYS 35 1HD LYS 35 13.924 0.321 6.530 273 HE2 LYS 35 2HE LYS 35 14.791 -1.898 6.179 274 HE3 LYS 35 1HE LYS 35 13.431 -1.644 5.088 275 HZ1 LYS 35 3HZ LYS 35 16.310 -1.515 4.380 276 HZ2 LYS 35 1HZ LYS 35 15.044 -1.151 3.321 277 HZ3 LYS 35 2HZ LYS 35 15.214 -2.718 3.926 278 H ASP 36 H ASP 36 11.667 -0.435 1.590 279 HA ASP 36 HA ASP 36 13.810 0.101 -0.119 280 HB2 ASP 36 2HB ASP 36 12.728 -2.082 -0.008 281 HB3 ASP 36 1HB ASP 36 11.236 -1.406 -0.650 282 H LEU 37 H LEU 37 10.394 1.033 -0.381 283 HA LEU 37 HA LEU 37 10.494 2.282 -2.885 284 HB2 LEU 37 2HB LEU 37 8.749 2.750 -0.482 285 HB3 LEU 37 1HB LEU 37 8.549 3.673 -1.961 286 HG LEU 37 HG LEU 37 8.222 0.688 -1.632 287 HD11 LEU 37 1HD1 LEU 37 6.334 1.991 -0.817 288 HD12 LEU 37 2HD1 LEU 37 5.908 1.135 -2.298 289 HD13 LEU 37 3HD1 LEU 37 6.255 2.864 -2.351 290 HD21 LEU 37 3HD2 LEU 37 8.085 2.368 -4.138 291 HD22 LEU 37 1HD2 LEU 37 7.601 0.676 -4.018 292 HD23 LEU 37 2HD2 LEU 37 9.287 1.132 -3.768 293 H LYS 38 H LYS 38 10.916 3.776 0.351 294 HA LYS 38 HA LYS 38 11.330 6.397 -0.463 295 HB2 LYS 38 2HB LYS 38 12.674 4.937 1.822 296 HB3 LYS 38 1HB LYS 38 12.686 6.681 1.608 297 HG2 LYS 38 2HG LYS 38 10.189 6.640 1.748 298 HG3 LYS 38 1HG LYS 38 10.301 4.930 2.170 299 HD2 LYS 38 2HD LYS 38 11.522 7.233 3.704 300 HD3 LYS 38 1HD LYS 38 10.092 6.315 4.175 301 HE2 LYS 38 2HE LYS 38 11.404 4.318 4.476 302 HE3 LYS 38 1HE LYS 38 12.837 5.105 3.819 303 HZ1 LYS 38 3HZ LYS 38 12.897 6.573 5.696 304 HZ2 LYS 38 1HZ LYS 38 12.833 4.979 6.259 305 HZ3 LYS 38 2HZ LYS 38 11.448 5.950 6.301 306 H SER 39 H SER 39 13.573 3.690 -0.533 307 HA SER 39 HA SER 39 15.844 5.292 -1.279 308 HB2 SER 39 2HB SER 39 16.118 3.115 -0.121 309 HB3 SER 39 1HB SER 39 15.477 2.293 -1.546 310 HG SER 39 HG SER 39 17.772 3.979 -1.567 311 H GLN 40 H GLN 40 13.476 3.311 -3.041 312 HA GLN 40 HA GLN 40 14.675 3.610 -5.605 313 HB2 GLN 40 2HB GLN 40 11.818 3.002 -4.811 314 HB3 GLN 40 1HB GLN 40 12.398 2.977 -6.472 315 HG2 GLN 40 2HG GLN 40 14.029 1.220 -5.819 316 HG3 GLN 40 1HG GLN 40 13.301 1.193 -4.212 317 HE21 GLN 40 1HE2 GLN 40 11.253 0.288 -3.960 318 HE22 GLN 40 2HE2 GLN 40 10.513 -0.674 -5.183 319 H LEU 41 H LEU 41 12.531 5.620 -3.717 320 HA LEU 41 HA LEU 41 11.816 7.412 -5.822 321 HB2 LEU 41 2HB LEU 41 11.774 7.776 -2.824 322 HB3 LEU 41 1HB LEU 41 11.089 8.915 -3.970 323 HG LEU 41 HG LEU 41 10.170 6.060 -3.552 324 HD11 LEU 41 1HD1 LEU 41 9.576 7.527 -1.697 325 HD12 LEU 41 2HD1 LEU 41 8.150 7.069 -2.626 326 HD13 LEU 41 3HD1 LEU 41 8.851 8.676 -2.822 327 HD21 LEU 41 3HD2 LEU 41 9.899 6.752 -5.879 328 HD22 LEU 41 1HD2 LEU 41 9.062 8.216 -5.357 329 HD23 LEU 41 2HD2 LEU 41 8.336 6.633 -5.071 330 H GLN 42 H GLN 42 14.659 7.132 -3.843 331 HA GLN 42 HA GLN 42 15.565 9.734 -3.646 332 HB2 GLN 42 2HB GLN 42 17.042 7.135 -3.939 333 HB3 GLN 42 1HB GLN 42 17.925 8.654 -3.853 334 HG2 GLN 42 2HG GLN 42 17.035 9.128 -1.682 335 HG3 GLN 42 1HG GLN 42 15.952 7.740 -1.772 336 HE21 GLN 42 1HE2 GLN 42 19.270 8.764 -1.415 337 HE22 GLN 42 2HE2 GLN 42 19.868 7.266 -0.793 338 HA PRO 43 HA PRO 43 17.664 9.594 -8.009 339 HB2 PRO 43 2HB PRO 43 16.861 7.709 -9.784 340 HB3 PRO 43 1HB PRO 43 18.192 7.447 -8.651 341 HG2 PRO 43 2HG PRO 43 15.324 6.585 -8.426 342 HG3 PRO 43 1HG PRO 43 16.799 5.644 -8.121 343 HD2 PRO 43 2HD PRO 43 15.378 6.756 -6.111 344 HD3 PRO 43 1HD PRO 43 17.148 6.623 -6.047 345 H ILE 44 H ILE 44 14.365 9.332 -7.267 346 HA ILE 44 HA ILE 44 13.531 10.605 -9.802 347 HB ILE 44 HB ILE 44 11.810 9.299 -7.677 348 HG12 ILE 44 2HG1 ILE 44 12.590 8.310 -10.439 349 HG13 ILE 44 1HG1 ILE 44 13.215 7.681 -8.918 350 HG21 ILE 44 1HG2 ILE 44 10.598 11.060 -8.832 351 HG22 ILE 44 2HG2 ILE 44 9.997 9.484 -9.348 352 HG23 ILE 44 3HG2 ILE 44 11.079 10.401 -10.396 353 HD11 ILE 44 3HD1 ILE 44 10.951 6.947 -8.312 354 HD12 ILE 44 1HD1 ILE 44 11.521 6.216 -9.813 355 HD13 ILE 44 2HD1 ILE 44 10.359 7.541 -9.865 356 H THR 45 H THR 45 12.545 10.771 -6.366 357 HA THR 45 HA THR 45 11.568 13.458 -6.590 358 HB THR 45 HB THR 45 11.178 13.300 -4.150 359 HG1 THR 45 HG1 THR 45 11.679 11.175 -3.193 360 HG21 THR 45 3HG2 THR 45 9.578 11.433 -4.201 361 HG22 THR 45 1HG2 THR 45 10.332 10.826 -5.677 362 HG23 THR 45 2HG2 THR 45 9.499 12.381 -5.685 363 H ASN 46 H ASN 46 14.610 12.038 -5.736 364 HA ASN 46 HA ASN 46 16.667 12.936 -5.368 365 HB2 ASN 46 2HB ASN 46 15.312 15.607 -5.830 366 HB3 ASN 46 1HB ASN 46 17.051 15.349 -5.754 367 HD21 ASN 46 1HD2 ASN 46 15.334 16.363 -7.913 368 HD22 ASN 46 2HD2 ASN 46 15.659 15.356 -9.276 369 H VAL 47 H VAL 47 14.757 12.473 -3.164 370 HA VAL 47 HA VAL 47 15.977 14.283 -1.168 371 HB VAL 47 HB VAL 47 13.650 14.943 -1.434 372 HG11 VAL 47 1HG1 VAL 47 12.723 12.889 -2.317 373 HG12 VAL 47 2HG1 VAL 47 11.805 13.404 -0.901 374 HG13 VAL 47 3HG1 VAL 47 12.966 12.081 -0.769 375 HG21 VAL 47 3HG2 VAL 47 14.114 13.456 1.158 376 HG22 VAL 47 1HG2 VAL 47 12.875 14.685 0.896 377 HG23 VAL 47 2HG2 VAL 47 14.581 15.120 0.804 378 H LEU 48 H LEU 48 16.422 13.387 0.893 379 HA LEU 48 HA LEU 48 17.403 10.728 0.781 380 HB2 LEU 48 2HB LEU 48 17.139 12.619 3.125 381 HB3 LEU 48 1HB LEU 48 18.052 11.121 3.147 382 HG LEU 48 HG LEU 48 18.654 13.525 1.405 383 HD11 LEU 48 1HD1 LEU 48 20.114 12.436 3.816 384 HD12 LEU 48 2HD1 LEU 48 19.153 13.914 3.768 385 HD13 LEU 48 3HD1 LEU 48 20.629 13.792 2.810 386 HD21 LEU 48 3HD2 LEU 48 20.154 10.923 1.732 387 HD22 LEU 48 1HD2 LEU 48 20.703 12.322 0.811 388 HD23 LEU 48 2HD2 LEU 48 19.266 11.441 0.297 389 HA PRO 49 HA PRO 49 13.969 8.332 2.236 390 HB2 PRO 49 2HB PRO 49 15.294 6.228 3.371 391 HB3 PRO 49 1HB PRO 49 15.156 6.459 1.624 392 HG2 PRO 49 2HG PRO 49 17.436 7.156 3.447 393 HG3 PRO 49 1HG PRO 49 17.473 6.377 1.852 394 HD2 PRO 49 2HD PRO 49 18.018 8.999 2.169 395 HD3 PRO 49 1HD PRO 49 17.197 8.379 0.723 396 H ARG 50 H ARG 50 16.354 9.538 4.432 397 HA ARG 50 HA ARG 50 15.155 8.780 6.887 398 HB2 ARG 50 2HB ARG 50 17.472 9.640 6.688 399 HB3 ARG 50 1HB ARG 50 16.837 11.224 6.261 400 HG2 ARG 50 2HG ARG 50 15.646 11.194 8.510 401 HG3 ARG 50 1HG ARG 50 16.647 9.794 8.903 402 HD2 ARG 50 2HD ARG 50 17.616 12.561 8.175 403 HD3 ARG 50 1HD ARG 50 17.655 11.824 9.775 404 HE ARG 50 HE ARG 50 19.077 10.218 7.945 405 HH11 ARG 50 1HH1 ARG 50 19.318 13.202 9.661 406 HH12 ARG 50 2HH1 ARG 50 21.047 13.201 9.634 407 HH21 ARG 50 1HH2 ARG 50 21.288 10.237 7.908 408 HH22 ARG 50 2HH2 ARG 50 22.151 11.535 8.652 409 H GLY 51 H GLY 51 14.903 11.759 4.950 410 HA2 GLY 51 2HA GLY 51 13.022 12.990 6.740 411 HA3 GLY 51 1HA GLY 51 13.530 13.603 5.176 412 H GLN 52 H GLN 52 12.730 11.063 3.822 413 HA GLN 52 HA GLN 52 10.126 11.819 3.077 414 HB2 GLN 52 2HB GLN 52 11.633 9.239 2.633 415 HB3 GLN 52 1HB GLN 52 10.066 9.585 1.910 416 HG2 GLN 52 2HG GLN 52 11.030 11.545 0.786 417 HG3 GLN 52 1HG GLN 52 12.602 11.156 1.482 418 HE21 GLN 52 1HE2 GLN 52 13.756 9.423 0.664 419 HE22 GLN 52 2HE2 GLN 52 13.340 8.638 -0.814 420 H LYS 53 H LYS 53 8.796 11.955 4.890 421 HA LYS 53 HA LYS 53 8.200 9.526 6.396 422 HB2 LYS 53 2HB LYS 53 7.139 12.347 6.641 423 HB3 LYS 53 1HB LYS 53 6.681 11.019 7.696 424 HG2 LYS 53 2HG LYS 53 8.936 10.830 8.519 425 HG3 LYS 53 1HG LYS 53 9.498 12.042 7.366 426 HD2 LYS 53 2HD LYS 53 9.231 13.009 9.595 427 HD3 LYS 53 1HD LYS 53 8.092 13.733 8.457 428 HE2 LYS 53 2HE LYS 53 6.313 12.284 9.320 429 HE3 LYS 53 1HE LYS 53 7.458 11.529 10.431 430 HZ1 LYS 53 3HZ LYS 53 6.635 14.386 10.447 431 HZ2 LYS 53 1HZ LYS 53 7.769 13.686 11.490 432 HZ3 LYS 53 2HZ LYS 53 6.153 13.201 11.552 433 H LEU 54 H LEU 54 7.074 8.156 5.074 434 HA LEU 54 HA LEU 54 4.830 8.985 3.482 435 HB2 LEU 54 2HB LEU 54 5.720 6.225 4.350 436 HB3 LEU 54 1HB LEU 54 4.481 6.551 3.153 437 HG LEU 54 HG LEU 54 7.396 7.323 2.883 438 HD11 LEU 54 1HD1 LEU 54 7.092 4.901 2.794 439 HD12 LEU 54 2HD1 LEU 54 7.526 5.550 1.212 440 HD13 LEU 54 3HD1 LEU 54 5.855 5.096 1.550 441 HD21 LEU 54 3HD2 LEU 54 5.913 8.843 1.682 442 HD22 LEU 54 1HD2 LEU 54 5.122 7.474 0.901 443 HD23 LEU 54 2HD2 LEU 54 6.814 7.830 0.557 444 H ILE 55 H ILE 55 2.976 9.626 4.415 445 HA ILE 55 HA ILE 55 2.134 8.359 6.950 446 HB ILE 55 HB ILE 55 1.531 11.166 5.984 447 HG12 ILE 55 2HG1 ILE 55 3.409 10.241 8.178 448 HG13 ILE 55 1HG1 ILE 55 3.924 10.788 6.589 449 HG21 ILE 55 1HG2 ILE 55 0.648 11.528 8.245 450 HG22 ILE 55 2HG2 ILE 55 0.950 9.836 8.638 451 HG23 ILE 55 3HG2 ILE 55 -0.238 10.257 7.406 452 HD11 ILE 55 3HD1 ILE 55 2.484 12.446 8.645 453 HD12 ILE 55 1HD1 ILE 55 3.009 12.999 7.054 454 HD13 ILE 55 2HD1 ILE 55 4.204 12.519 8.261 455 H PHE 56 H PHE 56 0.400 7.089 6.759 456 HA PHE 56 HA PHE 56 -1.752 7.840 4.871 457 HB2 PHE 56 2HB PHE 56 -0.595 5.785 4.163 458 HB3 PHE 56 1HB PHE 56 -0.903 5.058 5.733 459 HD1 PHE 56 HD1 PHE 56 -2.863 6.712 2.992 460 HD2 PHE 56 HD2 PHE 56 -2.628 3.540 5.829 461 HE1 PHE 56 HE1 PHE 56 -4.977 5.793 2.133 462 HE2 PHE 56 HE2 PHE 56 -4.744 2.619 4.973 463 HZ PHE 56 HZ PHE 56 -5.921 3.744 3.124 464 H LYS 57 H LYS 57 -3.637 8.337 5.807 465 HA LYS 57 HA LYS 57 -5.324 8.571 7.308 466 HB2 LYS 57 2HB LYS 57 -4.361 5.813 8.051 467 HB3 LYS 57 1HB LYS 57 -5.711 6.567 8.889 468 HG2 LYS 57 2HG LYS 57 -5.572 6.018 5.923 469 HG3 LYS 57 1HG LYS 57 -6.468 5.067 7.111 470 HD2 LYS 57 2HD LYS 57 -7.826 7.051 7.654 471 HD3 LYS 57 1HD LYS 57 -6.943 7.981 6.444 472 HE2 LYS 57 2HE LYS 57 -7.769 6.469 4.690 473 HE3 LYS 57 1HE LYS 57 -8.654 5.548 5.909 474 HZ1 LYS 57 3HZ LYS 57 -9.911 7.573 6.427 475 HZ2 LYS 57 1HZ LYS 57 -10.127 7.090 4.820 476 HZ3 LYS 57 2HZ LYS 57 -9.111 8.393 5.184 477 H GLY 58 H GLY 58 -2.431 9.300 8.049 478 HA2 GLY 58 2HA GLY 58 -1.902 10.813 9.820 479 HA3 GLY 58 1HA GLY 58 -3.057 9.981 10.845 480 H LYS 59 H LYS 59 -1.509 7.494 9.482 481 HA LYS 59 HA LYS 59 0.550 7.369 11.597 482 HB2 LYS 59 2HB LYS 59 -1.203 5.586 11.593 483 HB3 LYS 59 1HB LYS 59 -0.657 5.094 9.994 484 HG2 LYS 59 2HG LYS 59 1.662 4.827 11.130 485 HG3 LYS 59 1HG LYS 59 0.745 4.832 12.633 486 HD2 LYS 59 2HD LYS 59 1.044 2.553 12.009 487 HD3 LYS 59 1HD LYS 59 -0.642 2.957 11.677 488 HE2 LYS 59 2HE LYS 59 -0.162 3.211 9.318 489 HE3 LYS 59 1HE LYS 59 1.561 2.979 9.608 490 HZ1 LYS 59 3HZ LYS 59 0.673 0.948 8.800 491 HZ2 LYS 59 1HZ LYS 59 -0.592 0.966 9.923 492 HZ3 LYS 59 2HZ LYS 59 0.996 0.725 10.441 493 H VAL 60 H VAL 60 2.681 7.325 11.030 494 HA VAL 60 HA VAL 60 3.508 7.332 8.286 495 HB VAL 60 HB VAL 60 5.204 6.910 10.765 496 HG11 VAL 60 1HG1 VAL 60 6.345 6.147 8.756 497 HG12 VAL 60 2HG1 VAL 60 7.079 7.644 9.337 498 HG13 VAL 60 3HG1 VAL 60 5.990 7.676 7.947 499 HG21 VAL 60 3HG2 VAL 60 3.995 9.042 10.832 500 HG22 VAL 60 1HG2 VAL 60 4.639 9.459 9.244 501 HG23 VAL 60 2HG2 VAL 60 5.729 9.289 10.621 502 H LEU 61 H LEU 61 3.949 5.622 7.003 503 HA LEU 61 HA LEU 61 3.296 3.000 7.737 504 HB2 LEU 61 2HB LEU 61 4.864 4.087 5.404 505 HB3 LEU 61 1HB LEU 61 4.574 2.371 5.599 506 HG LEU 61 HG LEU 61 2.969 3.261 4.042 507 HD11 LEU 61 1HD1 LEU 61 1.641 2.704 6.693 508 HD12 LEU 61 2HD1 LEU 61 2.183 1.499 5.525 509 HD13 LEU 61 3HD1 LEU 61 0.874 2.604 5.107 510 HD21 LEU 61 3HD2 LEU 61 1.367 4.998 4.619 511 HD22 LEU 61 1HD2 LEU 61 3.016 5.607 4.758 512 HD23 LEU 61 2HD2 LEU 61 2.108 5.180 6.209 513 H VAL 62 H VAL 62 4.425 1.275 8.475 514 HA VAL 62 HA VAL 62 6.955 1.801 9.757 515 HB VAL 62 HB VAL 62 5.418 -0.804 9.598 516 HG11 VAL 62 1HG1 VAL 62 6.662 -1.415 11.616 517 HG12 VAL 62 2HG1 VAL 62 7.554 0.105 11.534 518 HG13 VAL 62 3HG1 VAL 62 7.749 -1.105 10.264 519 HG21 VAL 62 3HG2 VAL 62 4.529 -0.199 11.815 520 HG22 VAL 62 1HG2 VAL 62 4.016 0.931 10.561 521 HG23 VAL 62 2HG2 VAL 62 5.302 1.382 11.681 522 H GLU 63 H GLU 63 8.955 1.190 9.099 523 HA GLU 63 HA GLU 63 9.396 0.600 6.381 524 HB2 GLU 63 2HB GLU 63 11.345 0.367 8.684 525 HB3 GLU 63 1HB GLU 63 11.772 0.443 6.977 526 HG2 GLU 63 2HG GLU 63 10.769 2.693 6.852 527 HG3 GLU 63 1HG GLU 63 10.425 2.615 8.578 528 H THR 64 H THR 64 9.098 -1.487 9.149 529 HA THR 64 HA THR 64 10.195 -3.828 7.855 530 HB THR 64 HB THR 64 9.365 -5.048 9.861 531 HG1 THR 64 HG1 THR 64 8.004 -4.116 11.213 532 HG21 THR 64 3HG2 THR 64 10.885 -2.505 10.485 533 HG22 THR 64 1HG2 THR 64 11.590 -4.017 9.909 534 HG23 THR 64 2HG2 THR 64 10.832 -3.947 11.499 535 H SER 65 H SER 65 7.430 -2.236 7.204 536 HA SER 65 HA SER 65 5.987 -4.730 6.536 537 HB2 SER 65 2HB SER 65 3.846 -3.566 6.911 538 HB3 SER 65 1HB SER 65 4.819 -3.617 8.378 539 HG SER 65 HG SER 65 5.340 -1.384 6.924 540 H THR 66 H THR 66 5.202 -4.933 4.516 541 HA THR 66 HA THR 66 5.914 -2.984 2.502 542 HB THR 66 HB THR 66 5.065 -4.569 0.880 543 HG1 THR 66 HG1 THR 66 4.096 -6.577 1.741 544 HG21 THR 66 3HG2 THR 66 6.389 -6.561 1.424 545 HG22 THR 66 1HG2 THR 66 6.500 -6.035 3.103 546 HG23 THR 66 2HG2 THR 66 7.264 -5.085 1.830 547 H LEU 67 H LEU 67 4.097 -2.665 0.702 548 HA LEU 67 HA LEU 67 1.989 -1.128 1.788 549 HB2 LEU 67 2HB LEU 67 2.305 -2.339 -0.966 550 HB3 LEU 67 1HB LEU 67 1.006 -1.248 -0.534 551 HG LEU 67 HG LEU 67 2.641 0.025 -1.707 552 HD11 LEU 67 1HD1 LEU 67 1.637 1.126 0.243 553 HD12 LEU 67 2HD1 LEU 67 3.263 1.720 -0.092 554 HD13 LEU 67 3HD1 LEU 67 2.993 0.591 1.237 555 HD21 LEU 67 3HD2 LEU 67 4.715 -0.989 0.240 556 HD22 LEU 67 1HD2 LEU 67 4.981 0.157 -1.072 557 HD23 LEU 67 2HD2 LEU 67 4.539 -1.508 -1.437 558 H LYS 68 H LYS 68 2.039 -4.419 0.431 559 HA LYS 68 HA LYS 68 -0.681 -5.022 0.777 560 HB2 LYS 68 2HB LYS 68 0.881 -6.386 -0.574 561 HB3 LYS 68 1HB LYS 68 1.680 -6.919 0.899 562 HG2 LYS 68 2HG LYS 68 -0.342 -8.047 1.627 563 HG3 LYS 68 1HG LYS 68 -1.213 -7.440 0.216 564 HD2 LYS 68 2HD LYS 68 0.285 -8.702 -1.260 565 HD3 LYS 68 1HD LYS 68 1.175 -9.300 0.144 566 HE2 LYS 68 2HE LYS 68 -0.400 -10.976 -0.673 567 HE3 LYS 68 1HE LYS 68 -0.853 -10.430 0.941 568 HZ1 LYS 68 3HZ LYS 68 -2.512 -8.972 -0.077 569 HZ2 LYS 68 1HZ LYS 68 -2.778 -10.592 -0.482 570 HZ3 LYS 68 2HZ LYS 68 -2.089 -9.542 -1.612 571 H GLN 69 H GLN 69 2.081 -5.507 2.976 572 HA GLN 69 HA GLN 69 0.638 -6.757 5.061 573 HB2 GLN 69 2HB GLN 69 3.180 -5.118 5.172 574 HB3 GLN 69 1HB GLN 69 2.552 -6.064 6.514 575 HG2 GLN 69 2HG GLN 69 2.756 -8.102 5.116 576 HG3 GLN 69 1HG GLN 69 3.487 -7.119 3.850 577 HE21 GLN 69 1HE2 GLN 69 4.068 -6.644 7.278 578 HE22 GLN 69 2HE2 GLN 69 5.724 -7.146 7.250 579 H SER 70 H SER 70 0.937 -3.414 4.145 580 HA SER 70 HA SER 70 -0.295 -2.471 6.630 581 HB2 SER 70 2HB SER 70 0.628 -0.923 4.190 582 HB3 SER 70 1HB SER 70 0.031 -0.208 5.688 583 HG SER 70 HG SER 70 2.440 -1.587 5.201 584 H ASP 71 H ASP 71 -1.471 -3.921 3.992 585 HA ASP 71 HA ASP 71 -3.484 -4.087 2.973 586 HB2 ASP 71 2HB ASP 71 -4.335 -2.413 5.340 587 HB3 ASP 71 1HB ASP 71 -5.473 -3.051 4.154 588 H VAL 72 H VAL 72 -1.641 -1.764 2.407 589 HA VAL 72 HA VAL 72 -3.412 0.276 1.341 590 HB VAL 72 HB VAL 72 -0.426 -0.120 0.971 591 HG11 VAL 72 1HG1 VAL 72 -0.391 2.194 0.183 592 HG12 VAL 72 2HG1 VAL 72 -2.147 2.277 0.323 593 HG13 VAL 72 3HG1 VAL 72 -1.406 1.191 -0.852 594 HG21 VAL 72 3HG2 VAL 72 -1.045 0.302 3.308 595 HG22 VAL 72 1HG2 VAL 72 -1.930 1.747 2.816 596 HG23 VAL 72 2HG2 VAL 72 -0.179 1.673 2.618 597 H GLY 73 H GLY 73 -4.266 0.289 -0.684 598 HA2 GLY 73 2HA GLY 73 -3.159 -1.597 -2.680 599 HA3 GLY 73 1HA GLY 73 -4.882 -1.550 -2.345 600 H SER 74 H SER 74 -4.654 -1.247 -4.805 601 HA SER 74 HA SER 74 -3.782 1.173 -5.935 602 HB2 SER 74 2HB SER 74 -5.300 0.539 -7.856 603 HB3 SER 74 1HB SER 74 -4.165 -0.717 -7.365 604 HG SER 74 HG SER 74 -5.818 -1.952 -7.051 605 H GLY 75 H GLY 75 -4.524 3.172 -5.699 606 HA2 GLY 75 2HA GLY 75 -6.324 4.768 -5.956 607 HA3 GLY 75 1HA GLY 75 -7.416 3.591 -5.246 608 H ALA 76 H ALA 76 -4.631 3.458 -3.456 609 HA ALA 76 HA ALA 76 -5.786 4.882 -1.250 610 HB1 ALA 76 3HB ALA 76 -4.473 2.846 -0.905 611 HB2 ALA 76 1HB ALA 76 -3.793 4.209 -0.016 612 HB3 ALA 76 2HB ALA 76 -3.035 3.667 -1.513 613 H LYS 77 H LYS 77 -5.090 6.760 -0.255 614 HA LYS 77 HA LYS 77 -3.354 8.508 -1.880 615 HB2 LYS 77 2HB LYS 77 -5.808 9.175 -0.249 616 HB3 LYS 77 1HB LYS 77 -4.728 10.393 -0.919 617 HG2 LYS 77 2HG LYS 77 -5.267 9.795 -3.145 618 HG3 LYS 77 1HG LYS 77 -6.064 8.308 -2.631 619 HD2 LYS 77 2HD LYS 77 -7.041 11.069 -1.897 620 HD3 LYS 77 1HD LYS 77 -7.610 10.172 -3.307 621 HE2 LYS 77 2HE LYS 77 -8.345 8.345 -1.801 622 HE3 LYS 77 1HE LYS 77 -7.842 9.315 -0.417 623 HZ1 LYS 77 3HZ LYS 77 -9.472 10.948 -0.945 624 HZ2 LYS 77 1HZ LYS 77 -10.243 9.444 -0.916 625 HZ3 LYS 77 2HZ LYS 77 -9.878 10.182 -2.396 626 H LEU 78 H LEU 78 -1.477 8.929 -0.947 627 HA LEU 78 HA LEU 78 -1.202 8.610 1.972 628 HB2 LEU 78 2HB LEU 78 0.973 8.668 -0.129 629 HB3 LEU 78 1HB LEU 78 1.145 8.197 1.552 630 HG LEU 78 HG LEU 78 -0.449 6.684 -0.528 631 HD11 LEU 78 1HD1 LEU 78 2.244 6.068 0.697 632 HD12 LEU 78 2HD1 LEU 78 1.941 6.551 -0.972 633 HD13 LEU 78 3HD1 LEU 78 1.334 5.007 -0.380 634 HD21 LEU 78 3HD2 LEU 78 0.222 5.975 2.334 635 HD22 LEU 78 1HD2 LEU 78 -0.586 4.922 1.170 636 HD23 LEU 78 2HD2 LEU 78 -1.369 6.404 1.708 637 H MET 79 H MET 79 0.726 9.945 2.861 638 HA MET 79 HA MET 79 0.891 12.639 1.657 639 HB2 MET 79 2HB MET 79 -0.489 12.807 3.661 640 HB3 MET 79 1HB MET 79 0.714 11.939 4.604 641 HG2 MET 79 2HG MET 79 2.301 13.793 4.236 642 HG3 MET 79 1HG MET 79 1.038 14.674 3.375 643 HE1 MET 79 3HE MET 79 -1.592 15.265 6.232 644 HE2 MET 79 1HE MET 79 -1.542 13.912 5.100 645 HE3 MET 79 2HE MET 79 -1.201 15.547 4.533 646 H LEU 80 H LEU 80 2.969 13.657 1.840 647 HA LEU 80 HA LEU 80 5.129 11.984 2.932 648 HB2 LEU 80 2HB LEU 80 4.993 11.622 0.493 649 HB3 LEU 80 1HB LEU 80 5.204 13.343 0.232 650 HG LEU 80 HG LEU 80 7.467 13.239 1.162 651 HD11 LEU 80 1HD1 LEU 80 8.480 11.074 1.735 652 HD12 LEU 80 2HD1 LEU 80 6.912 10.293 1.530 653 HD13 LEU 80 3HD1 LEU 80 7.145 11.484 2.809 654 HD21 LEU 80 3HD2 LEU 80 8.521 11.875 -0.583 655 HD22 LEU 80 1HD2 LEU 80 7.192 12.838 -1.228 656 HD23 LEU 80 2HD2 LEU 80 6.968 11.115 -0.928 657 H MET 81 H MET 81 5.683 13.218 4.629 658 HA MET 81 HA MET 81 5.858 16.084 4.513 659 HB2 MET 81 2HB MET 81 5.305 14.970 6.612 660 HB3 MET 81 1HB MET 81 6.836 14.109 6.593 661 HG2 MET 81 2HG MET 81 8.013 16.281 6.775 662 HG3 MET 81 1HG MET 81 6.445 17.076 6.914 663 HE1 MET 81 3HE MET 81 7.993 17.246 10.550 664 HE2 MET 81 1HE MET 81 7.420 18.188 9.175 665 HE3 MET 81 2HE MET 81 8.919 17.265 9.049 666 H ALA 82 H ALA 82 7.320 16.695 2.947 667 HA ALA 82 HA ALA 82 10.133 16.371 3.647 668 HB1 ALA 82 3HB ALA 82 9.096 15.628 0.907 669 HB2 ALA 82 1HB ALA 82 9.693 14.502 2.129 670 HB3 ALA 82 2HB ALA 82 10.790 15.676 1.400 671 H SER 83 H SER 83 11.515 17.689 1.996 672 HA SER 83 HA SER 83 10.134 20.251 1.476 673 HB2 SER 83 2HB SER 83 12.380 21.318 1.793 674 HB3 SER 83 1HB SER 83 11.768 20.520 3.241 675 HG SER 83 HG SER 83 13.245 18.949 3.034 676 H GLN 84 H GLN 84 11.092 21.578 -0.285 677 HA GLN 84 HA GLN 84 11.709 21.929 -2.442 678 HB2 GLN 84 2HB GLN 84 13.336 19.437 -1.950 679 HB3 GLN 84 1HB GLN 84 13.381 20.302 -3.478 680 HG2 GLN 84 2HG GLN 84 14.074 21.506 -0.804 681 HG3 GLN 84 1HG GLN 84 15.243 20.877 -1.962 682 HE21 GLN 84 1HE2 GLN 84 15.613 22.012 -3.870 683 HE22 GLN 84 2HE2 GLN 84 15.123 23.655 -4.071 684 H GLY 85 H GLY 85 9.453 19.965 -1.616 685 HA2 GLY 85 2HA GLY 85 8.739 19.325 -4.387 686 HA3 GLY 85 1HA GLY 85 8.757 18.000 -3.235 Start of MODEL 16 1 H1 MET 1 1H MET 1 -16.215 -9.993 -23.635 2 H2 MET 1 2H MET 1 -16.944 -10.809 -22.346 3 H3 MET 1 3H MET 1 -16.968 -11.486 -23.894 4 HA MET 1 HA MET 1 -15.358 -12.606 -22.519 5 HB2 MET 1 2HB MET 1 -14.902 -12.466 -24.902 6 HB3 MET 1 1HB MET 1 -14.163 -10.883 -24.702 7 HG2 MET 1 2HG MET 1 -12.534 -12.722 -25.001 8 HG3 MET 1 1HG MET 1 -12.316 -11.818 -23.502 9 HE1 MET 1 3HE MET 1 -10.781 -13.772 -22.521 10 HE2 MET 1 1HE MET 1 -10.981 -14.660 -24.035 11 HE3 MET 1 2HE MET 1 -11.270 -15.466 -22.493 12 H GLY 2 H GLY 2 -13.561 -12.588 -21.159 13 HA2 GLY 2 2HA GLY 2 -11.750 -10.712 -20.498 14 HA3 GLY 2 1HA GLY 2 -13.183 -10.113 -19.670 15 H HIS 3 H HIS 3 -11.846 -10.426 -17.713 16 HA HIS 3 HA HIS 3 -12.271 -13.140 -16.680 17 HB2 HIS 3 2HB HIS 3 -10.101 -13.222 -15.589 18 HB3 HIS 3 1HB HIS 3 -9.885 -13.002 -17.319 19 HD1 HIS 3 HD1 HIS 3 -8.925 -11.623 -14.099 20 HD2 HIS 3 HD2 HIS 3 -9.159 -10.240 -18.011 21 HE1 HIS 3 HE1 HIS 3 -7.542 -9.533 -14.157 22 HE2 HIS 3 HE2 HIS 3 -7.711 -8.700 -16.520 23 H HIS 4 H HIS 4 -13.690 -12.910 -15.106 24 HA HIS 4 HA HIS 4 -14.155 -10.420 -13.794 25 HB2 HIS 4 2HB HIS 4 -15.224 -13.174 -13.140 26 HB3 HIS 4 1HB HIS 4 -15.843 -11.660 -12.492 27 HD1 HIS 4 HD1 HIS 4 -17.744 -13.453 -14.030 28 HD2 HIS 4 HD2 HIS 4 -15.496 -10.453 -15.820 29 HE1 HIS 4 HE1 HIS 4 -18.945 -12.892 -16.157 30 HE2 HIS 4 HE2 HIS 4 -17.488 -11.187 -17.293 31 H HIS 5 H HIS 5 -12.401 -13.329 -12.922 32 HA HIS 5 HA HIS 5 -11.966 -12.448 -10.185 33 HB2 HIS 5 2HB HIS 5 -10.929 -14.854 -11.703 34 HB3 HIS 5 1HB HIS 5 -10.626 -14.544 -9.996 35 HD1 HIS 5 HD1 HIS 5 -12.210 -15.684 -8.477 36 HD2 HIS 5 HD2 HIS 5 -13.899 -14.985 -12.206 37 HE1 HIS 5 HE1 HIS 5 -14.503 -16.683 -8.370 38 HE2 HIS 5 HE2 HIS 5 -15.577 -16.055 -10.552 39 H HIS 6 H HIS 6 -9.657 -12.471 -9.326 40 HA HIS 6 HA HIS 6 -8.131 -10.646 -11.027 41 HB2 HIS 6 2HB HIS 6 -7.929 -11.258 -8.074 42 HB3 HIS 6 1HB HIS 6 -6.883 -10.121 -8.920 43 HD1 HIS 6 HD1 HIS 6 -9.578 -9.969 -6.760 44 HD2 HIS 6 HD2 HIS 6 -8.865 -8.229 -10.466 45 HE1 HIS 6 HE1 HIS 6 -11.104 -7.981 -6.879 46 HE2 HIS 6 HE2 HIS 6 -10.567 -6.878 -9.071 47 H HIS 7 H HIS 7 -6.080 -10.896 -11.658 48 HA HIS 7 HA HIS 7 -4.861 -13.373 -12.030 49 HB2 HIS 7 2HB HIS 7 -4.343 -11.357 -13.331 50 HB3 HIS 7 1HB HIS 7 -3.641 -10.597 -11.912 51 HD1 HIS 7 HD1 HIS 7 -2.995 -13.800 -13.899 52 HD2 HIS 7 HD2 HIS 7 -0.949 -10.730 -11.985 53 HE1 HIS 7 HE1 HIS 7 -0.561 -14.254 -14.311 54 HE2 HIS 7 HE2 HIS 7 0.663 -12.418 -13.103 55 H HIS 8 H HIS 8 -4.163 -14.736 -10.448 56 HA HIS 8 HA HIS 8 -3.896 -13.983 -7.756 57 HB2 HIS 8 2HB HIS 8 -4.459 -16.272 -8.478 58 HB3 HIS 8 1HB HIS 8 -2.822 -16.479 -9.093 59 HD1 HIS 8 HD1 HIS 8 -4.785 -16.320 -5.907 60 HD2 HIS 8 HD2 HIS 8 -0.871 -16.976 -7.139 61 HE1 HIS 8 HE1 HIS 8 -3.571 -17.159 -3.880 62 HE2 HIS 8 HE2 HIS 8 -1.251 -17.684 -4.685 63 H SER 9 H SER 9 -1.388 -14.488 -10.232 64 HA SER 9 HA SER 9 0.836 -14.032 -8.535 65 HB2 SER 9 2HB SER 9 0.571 -13.421 -11.500 66 HB3 SER 9 1HB SER 9 2.087 -13.507 -10.605 67 HG SER 9 HG SER 9 1.992 -15.524 -11.264 68 H HIS 10 H HIS 10 1.824 -12.143 -7.844 69 HA HIS 10 HA HIS 10 0.099 -10.089 -7.183 70 HB2 HIS 10 2HB HIS 10 1.968 -8.931 -6.234 71 HB3 HIS 10 1HB HIS 10 2.206 -10.657 -5.991 72 HD1 HIS 10 HD1 HIS 10 4.020 -11.802 -7.623 73 HD2 HIS 10 HD2 HIS 10 4.017 -7.647 -7.514 74 HE1 HIS 10 HE1 HIS 10 6.230 -11.102 -8.574 75 HE2 HIS 10 HE2 HIS 10 6.289 -8.607 -8.291 76 H SER 11 H SER 11 -0.351 -8.056 -7.871 77 HA SER 11 HA SER 11 0.633 -7.283 -10.551 78 HB2 SER 11 2HB SER 11 -2.001 -6.701 -9.170 79 HB3 SER 11 1HB SER 11 -1.508 -5.943 -10.683 80 HG SER 11 HG SER 11 -2.041 -8.677 -10.169 81 H THR 12 H THR 12 -0.140 -4.697 -10.690 82 HA THR 12 HA THR 12 1.406 -3.342 -8.574 83 HB THR 12 HB THR 12 1.598 -1.444 -10.155 84 HG1 THR 12 HG1 THR 12 0.857 -1.671 -12.266 85 HG21 THR 12 3HG2 THR 12 2.515 -4.100 -11.282 86 HG22 THR 12 1HG2 THR 12 3.378 -3.114 -10.100 87 HG23 THR 12 2HG2 THR 12 3.150 -2.520 -11.745 88 H ILE 13 H ILE 13 0.643 -1.116 -7.996 89 HA ILE 13 HA ILE 13 -2.280 -0.827 -8.112 90 HB ILE 13 HB ILE 13 -2.238 -0.213 -5.641 91 HG12 ILE 13 2HG1 ILE 13 0.391 -1.729 -5.732 92 HG13 ILE 13 1HG1 ILE 13 0.230 0.001 -5.452 93 HG21 ILE 13 1HG2 ILE 13 -2.443 -2.543 -4.912 94 HG22 ILE 13 2HG2 ILE 13 -1.667 -3.081 -6.401 95 HG23 ILE 13 3HG2 ILE 13 -3.235 -2.278 -6.464 96 HD11 ILE 13 3HD1 ILE 13 -0.992 -0.440 -3.389 97 HD12 ILE 13 1HD1 ILE 13 0.597 -1.207 -3.377 98 HD13 ILE 13 2HD1 ILE 13 -0.848 -2.177 -3.670 99 H LYS 14 H LYS 14 -3.081 1.269 -7.757 100 HA LYS 14 HA LYS 14 -1.319 3.386 -8.624 101 HB2 LYS 14 2HB LYS 14 -4.247 3.479 -7.858 102 HB3 LYS 14 1HB LYS 14 -3.365 4.737 -8.714 103 HG2 LYS 14 2HG LYS 14 -3.098 3.331 -10.637 104 HG3 LYS 14 1HG LYS 14 -3.760 1.942 -9.773 105 HD2 LYS 14 2HD LYS 14 -5.924 3.112 -9.582 106 HD3 LYS 14 1HD LYS 14 -5.260 4.477 -10.480 107 HE2 LYS 14 2HE LYS 14 -5.480 1.656 -11.537 108 HE3 LYS 14 1HE LYS 14 -6.629 2.949 -11.876 109 HZ1 LYS 14 3HZ LYS 14 -3.744 3.046 -12.559 110 HZ2 LYS 14 1HZ LYS 14 -4.919 4.186 -12.978 111 HZ3 LYS 14 2HZ LYS 14 -4.971 2.633 -13.640 112 H LEU 15 H LEU 15 -0.058 4.437 -7.188 113 HA LEU 15 HA LEU 15 -1.186 5.113 -4.537 114 HB2 LEU 15 2HB LEU 15 1.624 4.521 -5.408 115 HB3 LEU 15 1HB LEU 15 1.349 5.553 -4.019 116 HG LEU 15 HG LEU 15 0.069 3.699 -2.947 117 HD11 LEU 15 1HD1 LEU 15 -0.605 2.500 -4.958 118 HD12 LEU 15 2HD1 LEU 15 0.265 1.444 -3.846 119 HD13 LEU 15 3HD1 LEU 15 1.077 2.076 -5.278 120 HD21 LEU 15 3HD2 LEU 15 2.030 2.354 -2.373 121 HD22 LEU 15 1HD2 LEU 15 2.419 4.073 -2.406 122 HD23 LEU 15 2HD2 LEU 15 2.905 3.034 -3.747 123 H THR 16 H THR 16 -1.607 7.192 -4.134 124 HA THR 16 HA THR 16 -0.393 9.286 -5.807 125 HB THR 16 HB THR 16 -2.525 9.594 -3.669 126 HG1 THR 16 HG1 THR 16 -2.725 8.586 -6.142 127 HG21 THR 16 3HG2 THR 16 -1.581 11.487 -5.834 128 HG22 THR 16 1HG2 THR 16 -1.295 11.663 -4.103 129 HG23 THR 16 2HG2 THR 16 -2.935 11.776 -4.742 130 H VAL 17 H VAL 17 1.720 9.376 -5.004 131 HA VAL 17 HA VAL 17 2.187 9.624 -2.139 132 HB VAL 17 HB VAL 17 4.180 9.719 -4.423 133 HG11 VAL 17 1HG1 VAL 17 5.854 9.234 -2.687 134 HG12 VAL 17 2HG1 VAL 17 4.599 9.358 -1.452 135 HG13 VAL 17 3HG1 VAL 17 5.044 10.775 -2.405 136 HG21 VAL 17 3HG2 VAL 17 3.027 7.576 -4.378 137 HG22 VAL 17 1HG2 VAL 17 3.354 7.411 -2.651 138 HG23 VAL 17 2HG2 VAL 17 4.684 7.382 -3.809 139 H LYS 18 H LYS 18 1.766 11.586 -1.265 140 HA LYS 18 HA LYS 18 2.131 14.002 -2.862 141 HB2 LYS 18 2HB LYS 18 0.957 13.624 -0.102 142 HB3 LYS 18 1HB LYS 18 0.988 15.142 -0.990 143 HG2 LYS 18 2HG LYS 18 -0.418 14.114 -2.742 144 HG3 LYS 18 1HG LYS 18 -0.492 12.634 -1.779 145 HD2 LYS 18 2HD LYS 18 -1.589 13.818 0.031 146 HD3 LYS 18 1HD LYS 18 -1.414 15.351 -0.825 147 HE2 LYS 18 2HE LYS 18 -2.840 14.411 -2.650 148 HE3 LYS 18 1HE LYS 18 -3.112 12.991 -1.637 149 HZ1 LYS 18 3HZ LYS 18 -4.887 14.688 -1.489 150 HZ2 LYS 18 1HZ LYS 18 -3.769 15.768 -0.819 151 HZ3 LYS 18 2HZ LYS 18 -4.170 14.347 0.004 152 H PHE 19 H PHE 19 4.252 14.624 -2.916 153 HA PHE 19 HA PHE 19 5.901 14.714 -0.555 154 HB2 PHE 19 2HB PHE 19 6.220 15.675 -3.385 155 HB3 PHE 19 1HB PHE 19 7.335 16.231 -2.147 156 HD1 PHE 19 HD2 PHE 19 6.195 13.335 -4.091 157 HD2 PHE 19 HD1 PHE 19 8.951 14.747 -1.169 158 HE1 PHE 19 HE2 PHE 19 7.554 11.304 -4.394 159 HE2 PHE 19 HE1 PHE 19 10.310 12.723 -1.470 160 HZ PHE 19 HZ PHE 19 9.616 11.000 -3.081 161 H GLY 20 H GLY 20 4.545 15.931 0.870 162 HA2 GLY 20 2HA GLY 20 3.684 17.834 1.862 163 HA3 GLY 20 1HA GLY 20 5.174 18.564 1.291 164 H GLY 21 H GLY 21 2.287 17.435 -0.483 165 HA2 GLY 21 2HA GLY 21 0.640 19.052 -1.323 166 HA3 GLY 21 1HA GLY 21 1.961 20.189 -1.529 167 H LYS 22 H LYS 22 3.785 18.220 -2.679 168 HA LYS 22 HA LYS 22 2.907 18.335 -5.415 169 HB2 LYS 22 2HB LYS 22 5.347 17.012 -4.200 170 HB3 LYS 22 1HB LYS 22 5.069 17.231 -5.922 171 HG2 LYS 22 2HG LYS 22 5.390 19.441 -3.891 172 HG3 LYS 22 1HG LYS 22 6.621 18.894 -5.034 173 HD2 LYS 22 2HD LYS 22 5.092 19.521 -6.899 174 HD3 LYS 22 1HD LYS 22 3.960 20.168 -5.712 175 HE2 LYS 22 2HE LYS 22 6.788 21.128 -6.183 176 HE3 LYS 22 1HE LYS 22 5.314 21.944 -6.702 177 HZ1 LYS 22 3HZ LYS 22 6.139 22.944 -4.698 178 HZ2 LYS 22 1HZ LYS 22 6.160 21.456 -3.895 179 HZ3 LYS 22 2HZ LYS 22 4.689 22.150 -4.352 180 H SER 23 H SER 23 1.203 17.006 -5.846 181 HA SER 23 HA SER 23 1.000 14.334 -4.815 182 HB2 SER 23 2HB SER 23 -0.989 14.171 -6.331 183 HB3 SER 23 1HB SER 23 -1.039 15.562 -5.250 184 HG SER 23 HG SER 23 -0.079 15.691 -7.923 185 H ILE 24 H ILE 24 2.511 12.919 -5.484 186 HA ILE 24 HA ILE 24 3.211 12.730 -8.327 187 HB ILE 24 HB ILE 24 4.414 11.227 -5.988 188 HG12 ILE 24 2HG1 ILE 24 4.752 13.632 -5.676 189 HG13 ILE 24 1HG1 ILE 24 6.271 12.855 -6.105 190 HG21 ILE 24 1HG2 ILE 24 6.293 10.820 -7.518 191 HG22 ILE 24 2HG2 ILE 24 5.418 11.648 -8.808 192 HG23 ILE 24 3HG2 ILE 24 4.788 10.142 -8.138 193 HD11 ILE 24 3HD1 ILE 24 4.512 14.437 -7.964 194 HD12 ILE 24 1HD1 ILE 24 6.040 13.666 -8.391 195 HD13 ILE 24 2HD1 ILE 24 6.015 14.987 -7.224 196 HA PRO 25 HA PRO 25 0.337 9.175 -8.314 197 HB2 PRO 25 2HB PRO 25 -0.281 9.240 -10.927 198 HB3 PRO 25 1HB PRO 25 -0.953 10.411 -9.784 199 HG2 PRO 25 2HG PRO 25 1.315 10.737 -11.714 200 HG3 PRO 25 1HG PRO 25 0.009 11.869 -11.323 201 HD2 PRO 25 2HD PRO 25 2.559 12.003 -10.265 202 HD3 PRO 25 1HD PRO 25 1.118 12.690 -9.490 203 H LEU 26 H LEU 26 1.466 7.311 -8.055 204 HA LEU 26 HA LEU 26 3.210 6.388 -10.262 205 HB2 LEU 26 2HB LEU 26 3.514 5.865 -7.299 206 HB3 LEU 26 1HB LEU 26 4.537 5.191 -8.554 207 HG LEU 26 HG LEU 26 4.303 8.137 -7.898 208 HD11 LEU 26 1HD1 LEU 26 6.576 7.898 -6.998 209 HD12 LEU 26 2HD1 LEU 26 6.492 6.156 -7.263 210 HD13 LEU 26 3HD1 LEU 26 5.407 6.926 -6.106 211 HD21 LEU 26 3HD2 LEU 26 4.833 7.730 -10.253 212 HD22 LEU 26 1HD2 LEU 26 6.174 6.686 -9.779 213 HD23 LEU 26 2HD2 LEU 26 6.216 8.408 -9.395 214 H SER 27 H SER 27 3.559 3.929 -10.133 215 HA SER 27 HA SER 27 1.263 2.443 -9.070 216 HB2 SER 27 2HB SER 27 2.162 2.216 -11.959 217 HB3 SER 27 1HB SER 27 0.958 1.194 -11.176 218 HG SER 27 HG SER 27 0.791 3.877 -11.969 219 H VAL 28 H VAL 28 2.463 1.306 -7.613 220 HA VAL 28 HA VAL 28 4.824 -0.181 -8.607 221 HB VAL 28 HB VAL 28 5.753 -0.064 -6.337 222 HG11 VAL 28 1HG1 VAL 28 6.373 1.661 -7.954 223 HG12 VAL 28 2HG1 VAL 28 6.325 2.321 -6.320 224 HG13 VAL 28 3HG1 VAL 28 5.003 2.651 -7.442 225 HG21 VAL 28 3HG2 VAL 28 3.346 1.658 -5.704 226 HG22 VAL 28 1HG2 VAL 28 4.734 1.410 -4.643 227 HG23 VAL 28 2HG2 VAL 28 3.684 0.054 -5.052 228 H SER 29 H SER 29 5.367 -2.065 -6.980 229 HA SER 29 HA SER 29 3.024 -3.790 -6.891 230 HB2 SER 29 2HB SER 29 5.903 -4.406 -6.150 231 HB3 SER 29 1HB SER 29 4.607 -5.585 -6.361 232 HG SER 29 HG SER 29 4.473 -4.789 -8.578 233 HA PRO 30 HA PRO 30 2.197 -2.955 -2.567 234 HB2 PRO 30 2HB PRO 30 0.643 -5.168 -2.066 235 HB3 PRO 30 1HB PRO 30 0.057 -3.710 -2.871 236 HG2 PRO 30 2HG PRO 30 0.976 -6.297 -4.070 237 HG3 PRO 30 1HG PRO 30 -0.419 -5.293 -4.508 238 HD2 PRO 30 2HD PRO 30 1.859 -5.249 -5.945 239 HD3 PRO 30 1HD PRO 30 0.880 -3.787 -5.707 240 H ASP 31 H ASP 31 3.599 -5.937 -3.722 241 HA ASP 31 HA ASP 31 4.283 -7.151 -1.270 242 HB2 ASP 31 2HB ASP 31 5.750 -7.318 -3.918 243 HB3 ASP 31 1HB ASP 31 5.854 -8.478 -2.596 244 H CYS 32 H CYS 32 5.646 -4.437 -2.927 245 HA CYS 32 HA CYS 32 8.280 -4.575 -1.805 246 HB2 CYS 32 2HB CYS 32 6.837 -2.231 -3.072 247 HB3 CYS 32 1HB CYS 32 8.565 -2.316 -2.742 248 HG CYS 32 HG CYS 32 8.516 -2.704 -5.397 249 H THR 33 H THR 33 9.195 -2.910 -0.363 250 HA THR 33 HA THR 33 7.407 -2.403 1.892 251 HB THR 33 HB THR 33 9.403 -1.860 3.175 252 HG1 THR 33 HG1 THR 33 11.459 -2.386 1.767 253 HG21 THR 33 3HG2 THR 33 10.576 -4.016 3.062 254 HG22 THR 33 1HG2 THR 33 9.817 -4.350 1.504 255 HG23 THR 33 2HG2 THR 33 8.827 -4.232 2.961 256 H VAL 34 H VAL 34 7.318 -0.330 2.956 257 HA VAL 34 HA VAL 34 7.041 1.900 1.262 258 HB VAL 34 HB VAL 34 6.812 3.254 3.284 259 HG11 VAL 34 1HG1 VAL 34 4.893 1.921 2.576 260 HG12 VAL 34 2HG1 VAL 34 4.945 2.051 4.333 261 HG13 VAL 34 3HG1 VAL 34 5.463 0.561 3.547 262 HG21 VAL 34 3HG2 VAL 34 7.107 2.268 5.515 263 HG22 VAL 34 1HG2 VAL 34 8.623 2.303 4.613 264 HG23 VAL 34 2HG2 VAL 34 7.730 0.790 4.777 265 H LYS 35 H LYS 35 9.810 0.650 2.976 266 HA LYS 35 HA LYS 35 11.496 2.930 2.670 267 HB2 LYS 35 2HB LYS 35 12.069 1.230 4.290 268 HB3 LYS 35 1HB LYS 35 12.161 -0.001 3.040 269 HG2 LYS 35 2HG LYS 35 14.138 0.948 2.123 270 HG3 LYS 35 1HG LYS 35 13.961 2.411 3.089 271 HD2 LYS 35 2HD LYS 35 15.713 0.987 4.003 272 HD3 LYS 35 1HD LYS 35 14.365 1.115 5.132 273 HE2 LYS 35 2HE LYS 35 13.543 -1.072 4.408 274 HE3 LYS 35 1HE LYS 35 14.868 -1.193 3.249 275 HZ1 LYS 35 3HZ LYS 35 15.311 -2.422 5.292 276 HZ2 LYS 35 1HZ LYS 35 15.186 -0.998 6.195 277 HZ3 LYS 35 2HZ LYS 35 16.434 -1.179 5.068 278 H ASP 36 H ASP 36 10.961 -0.005 0.737 279 HA ASP 36 HA ASP 36 12.827 0.418 -1.286 280 HB2 ASP 36 2HB ASP 36 11.408 -1.630 -0.984 281 HB3 ASP 36 1HB ASP 36 10.039 -0.731 -1.628 282 H LEU 37 H LEU 37 9.521 1.664 -0.962 283 HA LEU 37 HA LEU 37 9.432 3.207 -3.304 284 HB2 LEU 37 2HB LEU 37 8.068 3.485 -0.636 285 HB3 LEU 37 1HB LEU 37 7.787 4.637 -1.930 286 HG LEU 37 HG LEU 37 7.216 1.670 -2.043 287 HD11 LEU 37 1HD1 LEU 37 5.363 4.054 -1.932 288 HD12 LEU 37 2HD1 LEU 37 5.628 2.874 -0.650 289 HD13 LEU 37 3HD1 LEU 37 4.869 2.378 -2.161 290 HD21 LEU 37 3HD2 LEU 37 6.781 3.834 -4.106 291 HD22 LEU 37 1HD2 LEU 37 6.212 2.168 -4.229 292 HD23 LEU 37 2HD2 LEU 37 7.942 2.509 -4.210 293 H LYS 38 H LYS 38 10.241 4.321 0.014 294 HA LYS 38 HA LYS 38 10.946 6.929 -0.718 295 HB2 LYS 38 2HB LYS 38 11.966 5.287 1.616 296 HB3 LYS 38 1HB LYS 38 12.194 7.022 1.437 297 HG2 LYS 38 2HG LYS 38 9.668 7.208 1.333 298 HG3 LYS 38 1HG LYS 38 9.617 5.526 1.854 299 HD2 LYS 38 2HD LYS 38 10.919 7.798 3.368 300 HD3 LYS 38 1HD LYS 38 9.340 7.115 3.722 301 HE2 LYS 38 2HE LYS 38 10.555 5.929 5.233 302 HE3 LYS 38 1HE LYS 38 10.794 4.870 3.845 303 HZ1 LYS 38 3HZ LYS 38 12.664 7.014 4.702 304 HZ2 LYS 38 1HZ LYS 38 12.902 5.933 3.420 305 HZ3 LYS 38 2HZ LYS 38 12.865 5.364 5.009 306 H SER 39 H SER 39 12.741 3.976 -1.027 307 HA SER 39 HA SER 39 15.291 5.216 -1.523 308 HB2 SER 39 2HB SER 39 15.161 2.892 -0.732 309 HB3 SER 39 1HB SER 39 14.306 2.428 -2.202 310 HG SER 39 HG SER 39 16.818 3.679 -2.421 311 H GLN 40 H GLN 40 12.703 3.890 -3.587 312 HA GLN 40 HA GLN 40 13.981 4.456 -6.064 313 HB2 GLN 40 2HB GLN 40 11.043 4.096 -5.429 314 HB3 GLN 40 1HB GLN 40 11.710 4.174 -7.056 315 HG2 GLN 40 2HG GLN 40 13.038 2.162 -6.592 316 HG3 GLN 40 1HG GLN 40 12.327 2.078 -4.982 317 HE21 GLN 40 1HE2 GLN 40 9.684 2.961 -5.998 318 HE22 GLN 40 2HE2 GLN 40 9.029 1.577 -6.789 319 H LEU 41 H LEU 41 11.839 6.329 -3.991 320 HA LEU 41 HA LEU 41 11.300 8.421 -5.826 321 HB2 LEU 41 2HB LEU 41 11.222 8.364 -2.806 322 HB3 LEU 41 1HB LEU 41 10.625 9.697 -3.777 323 HG LEU 41 HG LEU 41 9.546 6.870 -3.892 324 HD11 LEU 41 1HD1 LEU 41 9.038 7.933 -1.749 325 HD12 LEU 41 2HD1 LEU 41 7.587 7.765 -2.737 326 HD13 LEU 41 3HD1 LEU 41 8.380 9.336 -2.592 327 HD21 LEU 41 3HD2 LEU 41 9.311 8.082 -6.001 328 HD22 LEU 41 1HD2 LEU 41 8.556 9.431 -5.152 329 HD23 LEU 41 2HD2 LEU 41 7.744 7.864 -5.220 330 H GLN 42 H GLN 42 14.151 7.730 -4.005 331 HA GLN 42 HA GLN 42 15.082 10.322 -3.501 332 HB2 GLN 42 2HB GLN 42 16.638 7.777 -3.948 333 HB3 GLN 42 1HB GLN 42 17.382 9.289 -3.455 334 HG2 GLN 42 2HG GLN 42 15.929 9.294 -1.451 335 HG3 GLN 42 1HG GLN 42 15.306 7.722 -1.940 336 HE21 GLN 42 1HE2 GLN 42 18.074 9.456 -0.754 337 HE22 GLN 42 2HE2 GLN 42 18.967 8.073 -0.233 338 HA PRO 43 HA PRO 43 17.318 10.415 -7.802 339 HB2 PRO 43 2HB PRO 43 15.978 8.320 -9.389 340 HB3 PRO 43 1HB PRO 43 17.700 8.667 -9.221 341 HG2 PRO 43 2HG PRO 43 16.592 6.480 -8.126 342 HG3 PRO 43 1HG PRO 43 17.919 7.352 -7.332 343 HD2 PRO 43 2HD PRO 43 14.973 7.458 -6.765 344 HD3 PRO 43 1HD PRO 43 16.330 7.362 -5.629 345 H ILE 44 H ILE 44 13.947 9.601 -7.426 346 HA ILE 44 HA ILE 44 13.032 10.895 -9.825 347 HB ILE 44 HB ILE 44 11.463 9.934 -7.421 348 HG12 ILE 44 2HG1 ILE 44 11.964 8.592 -10.093 349 HG13 ILE 44 1HG1 ILE 44 12.729 8.146 -8.572 350 HG21 ILE 44 1HG2 ILE 44 10.189 11.579 -8.686 351 HG22 ILE 44 2HG2 ILE 44 9.509 9.970 -8.921 352 HG23 ILE 44 3HG2 ILE 44 10.500 10.698 -10.186 353 HD11 ILE 44 3HD1 ILE 44 10.545 7.539 -7.657 354 HD12 ILE 44 1HD1 ILE 44 10.926 6.628 -9.117 355 HD13 ILE 44 2HD1 ILE 44 9.786 7.973 -9.191 356 H THR 45 H THR 45 13.362 11.866 -6.443 357 HA THR 45 HA THR 45 12.264 14.526 -7.148 358 HB THR 45 HB THR 45 11.806 13.108 -4.506 359 HG1 THR 45 HG1 THR 45 10.114 12.250 -5.441 360 HG21 THR 45 3HG2 THR 45 11.807 15.537 -4.263 361 HG22 THR 45 1HG2 THR 45 10.165 14.915 -4.110 362 HG23 THR 45 2HG2 THR 45 10.676 15.690 -5.608 363 H ASN 46 H ASN 46 14.927 12.864 -5.937 364 HA ASN 46 HA ASN 46 16.817 13.400 -4.809 365 HB2 ASN 46 2HB ASN 46 15.992 16.224 -5.527 366 HB3 ASN 46 1HB ASN 46 17.556 15.796 -4.837 367 HD21 ASN 46 1HD2 ASN 46 17.049 17.043 -7.368 368 HD22 ASN 46 2HD2 ASN 46 17.687 15.986 -8.579 369 H VAL 47 H VAL 47 16.116 12.588 -2.830 370 HA VAL 47 HA VAL 47 15.863 14.447 -0.672 371 HB VAL 47 HB VAL 47 13.574 14.607 -1.471 372 HG11 VAL 47 1HG1 VAL 47 12.092 12.652 -1.568 373 HG12 VAL 47 2HG1 VAL 47 13.454 11.601 -1.184 374 HG13 VAL 47 3HG1 VAL 47 13.438 12.506 -2.697 375 HG21 VAL 47 3HG2 VAL 47 13.892 14.683 0.945 376 HG22 VAL 47 1HG2 VAL 47 13.737 12.927 1.035 377 HG23 VAL 47 2HG2 VAL 47 12.357 13.911 0.549 378 H LEU 48 H LEU 48 16.099 13.452 1.371 379 HA LEU 48 HA LEU 48 17.413 10.872 1.257 380 HB2 LEU 48 2HB LEU 48 16.964 12.786 3.554 381 HB3 LEU 48 1HB LEU 48 17.947 11.336 3.640 382 HG LEU 48 HG LEU 48 18.504 13.707 1.848 383 HD11 LEU 48 1HD1 LEU 48 19.840 12.850 4.415 384 HD12 LEU 48 2HD1 LEU 48 18.816 14.268 4.197 385 HD13 LEU 48 3HD1 LEU 48 20.367 14.164 3.365 386 HD21 LEU 48 3HD2 LEU 48 20.137 11.224 2.403 387 HD22 LEU 48 1HD2 LEU 48 20.666 12.611 1.451 388 HD23 LEU 48 2HD2 LEU 48 19.322 11.621 0.891 389 HA PRO 49 HA PRO 49 14.106 8.287 2.845 390 HB2 PRO 49 2HB PRO 49 15.634 6.607 4.434 391 HB3 PRO 49 1HB PRO 49 15.421 6.423 2.690 392 HG2 PRO 49 2HG PRO 49 17.683 7.665 4.202 393 HG3 PRO 49 1HG PRO 49 17.731 6.612 2.774 394 HD2 PRO 49 2HD PRO 49 18.069 9.269 2.565 395 HD3 PRO 49 1HD PRO 49 17.195 8.349 1.320 396 H ARG 50 H ARG 50 16.472 9.736 5.050 397 HA ARG 50 HA ARG 50 14.956 9.628 7.435 398 HB2 ARG 50 2HB ARG 50 17.271 10.274 7.552 399 HB3 ARG 50 1HB ARG 50 17.023 11.598 6.423 400 HG2 ARG 50 2HG ARG 50 15.503 12.640 8.163 401 HG3 ARG 50 1HG ARG 50 16.089 11.409 9.282 402 HD2 ARG 50 2HD ARG 50 18.328 12.231 9.134 403 HD3 ARG 50 1HD ARG 50 17.916 13.288 7.783 404 HE ARG 50 HE ARG 50 17.272 13.723 10.604 405 HH11 ARG 50 1HH1 ARG 50 17.156 14.838 7.345 406 HH12 ARG 50 2HH1 ARG 50 16.653 16.430 7.781 407 HH21 ARG 50 1HH2 ARG 50 16.648 15.790 11.156 408 HH22 ARG 50 2HH2 ARG 50 16.347 16.952 9.913 409 H GLY 51 H GLY 51 15.184 12.110 4.903 410 HA2 GLY 51 2HA GLY 51 13.416 13.974 6.042 411 HA3 GLY 51 1HA GLY 51 13.840 13.878 4.341 412 H GLN 52 H GLN 52 12.831 11.374 3.714 413 HA GLN 52 HA GLN 52 10.088 12.007 3.284 414 HB2 GLN 52 2HB GLN 52 11.681 9.499 2.741 415 HB3 GLN 52 1HB GLN 52 10.018 9.733 2.219 416 HG2 GLN 52 2HG GLN 52 10.685 11.600 0.826 417 HG3 GLN 52 1HG GLN 52 12.343 11.468 1.407 418 HE21 GLN 52 1HE2 GLN 52 13.644 9.817 0.643 419 HE22 GLN 52 2HE2 GLN 52 13.217 8.844 -0.718 420 H LYS 53 H LYS 53 8.540 11.812 4.766 421 HA LYS 53 HA LYS 53 8.453 9.378 6.441 422 HB2 LYS 53 2HB LYS 53 7.746 12.233 7.057 423 HB3 LYS 53 1HB LYS 53 6.949 10.928 7.926 424 HG2 LYS 53 2HG LYS 53 8.932 10.212 8.925 425 HG3 LYS 53 1HG LYS 53 9.946 11.075 7.769 426 HD2 LYS 53 2HD LYS 53 8.112 12.475 9.715 427 HD3 LYS 53 1HD LYS 53 9.787 12.074 10.098 428 HE2 LYS 53 2HE LYS 53 8.883 13.786 7.777 429 HE3 LYS 53 1HE LYS 53 9.547 14.392 9.294 430 HZ1 LYS 53 3HZ LYS 53 11.597 13.127 8.797 431 HZ2 LYS 53 1HZ LYS 53 11.271 14.330 7.655 432 HZ3 LYS 53 2HZ LYS 53 10.954 12.715 7.285 433 H LEU 54 H LEU 54 7.062 8.045 5.391 434 HA LEU 54 HA LEU 54 4.740 8.988 3.983 435 HB2 LEU 54 2HB LEU 54 5.751 6.232 4.676 436 HB3 LEU 54 1HB LEU 54 4.225 6.485 3.849 437 HG LEU 54 HG LEU 54 6.911 7.398 2.794 438 HD11 LEU 54 1HD1 LEU 54 6.798 4.968 2.837 439 HD12 LEU 54 2HD1 LEU 54 6.688 5.562 1.182 440 HD13 LEU 54 3HD1 LEU 54 5.238 5.007 2.016 441 HD21 LEU 54 3HD2 LEU 54 5.019 8.752 2.016 442 HD22 LEU 54 1HD2 LEU 54 4.195 7.288 1.473 443 HD23 LEU 54 2HD2 LEU 54 5.704 7.786 0.710 444 H ILE 55 H ILE 55 2.951 9.648 4.969 445 HA ILE 55 HA ILE 55 2.103 8.305 7.462 446 HB ILE 55 HB ILE 55 1.593 11.181 6.655 447 HG12 ILE 55 2HG1 ILE 55 3.440 10.039 8.775 448 HG13 ILE 55 1HG1 ILE 55 3.960 10.715 7.238 449 HG21 ILE 55 1HG2 ILE 55 0.940 9.704 9.214 450 HG22 ILE 55 2HG2 ILE 55 -0.219 10.279 8.015 451 HG23 ILE 55 3HG2 ILE 55 0.728 11.435 8.948 452 HD11 ILE 55 3HD1 ILE 55 3.070 12.897 7.917 453 HD12 ILE 55 1HD1 ILE 55 4.305 12.293 9.023 454 HD13 ILE 55 2HD1 ILE 55 2.600 12.206 9.471 455 H PHE 56 H PHE 56 0.486 6.956 6.999 456 HA PHE 56 HA PHE 56 -1.557 7.729 5.003 457 HB2 PHE 56 2HB PHE 56 -0.232 5.712 4.455 458 HB3 PHE 56 1HB PHE 56 -0.746 4.967 5.962 459 HD1 PHE 56 HD1 PHE 56 -2.261 6.540 2.922 460 HD2 PHE 56 HD2 PHE 56 -2.480 3.449 5.847 461 HE1 PHE 56 HE1 PHE 56 -4.184 5.565 1.744 462 HE2 PHE 56 HE2 PHE 56 -4.411 2.475 4.671 463 HZ PHE 56 HZ PHE 56 -5.262 3.532 2.615 464 H LYS 57 H LYS 57 -3.599 8.048 5.671 465 HA LYS 57 HA LYS 57 -5.392 8.345 7.043 466 HB2 LYS 57 2HB LYS 57 -4.491 5.668 8.136 467 HB3 LYS 57 1HB LYS 57 -6.064 6.398 8.429 468 HG2 LYS 57 2HG LYS 57 -4.984 5.567 5.736 469 HG3 LYS 57 1HG LYS 57 -6.166 4.678 6.696 470 HD2 LYS 57 2HD LYS 57 -7.740 6.538 6.514 471 HD3 LYS 57 1HD LYS 57 -6.550 7.474 5.607 472 HE2 LYS 57 2HE LYS 57 -6.608 5.848 3.802 473 HE3 LYS 57 1HE LYS 57 -7.711 4.829 4.720 474 HZ1 LYS 57 3HZ LYS 57 -9.389 6.522 4.584 475 HZ2 LYS 57 1HZ LYS 57 -8.831 6.177 3.024 476 HZ3 LYS 57 2HZ LYS 57 -8.327 7.586 3.811 477 H GLY 58 H GLY 58 -2.761 9.364 7.950 478 HA2 GLY 58 2HA GLY 58 -2.266 10.781 9.739 479 HA3 GLY 58 1HA GLY 58 -3.564 10.044 10.660 480 H LYS 59 H LYS 59 -1.619 7.625 9.380 481 HA LYS 59 HA LYS 59 -0.036 7.462 11.876 482 HB2 LYS 59 2HB LYS 59 -1.766 5.724 11.728 483 HB3 LYS 59 1HB LYS 59 -1.126 5.204 10.175 484 HG2 LYS 59 2HG LYS 59 0.977 4.552 11.255 485 HG3 LYS 59 1HG LYS 59 0.334 5.071 12.815 486 HD2 LYS 59 2HD LYS 59 -0.800 2.869 11.072 487 HD3 LYS 59 1HD LYS 59 0.168 2.636 12.529 488 HE2 LYS 59 2HE LYS 59 -1.599 3.868 13.805 489 HE3 LYS 59 1HE LYS 59 -2.576 3.887 12.340 490 HZ1 LYS 59 3HZ LYS 59 -1.614 1.450 13.730 491 HZ2 LYS 59 1HZ LYS 59 -2.589 1.482 12.348 492 HZ3 LYS 59 2HZ LYS 59 -3.179 2.073 13.816 493 H VAL 60 H VAL 60 2.147 7.110 11.733 494 HA VAL 60 HA VAL 60 3.411 7.346 9.138 495 HB VAL 60 HB VAL 60 4.714 6.922 11.843 496 HG11 VAL 60 1HG1 VAL 60 5.852 7.914 9.224 497 HG12 VAL 60 2HG1 VAL 60 6.211 6.379 10.011 498 HG13 VAL 60 3HG1 VAL 60 6.713 7.892 10.764 499 HG21 VAL 60 3HG2 VAL 60 5.064 9.356 11.873 500 HG22 VAL 60 1HG2 VAL 60 3.348 8.944 11.866 501 HG23 VAL 60 2HG2 VAL 60 4.127 9.508 10.385 502 H LEU 61 H LEU 61 4.335 5.737 7.949 503 HA LEU 61 HA LEU 61 3.974 2.992 8.891 504 HB2 LEU 61 2HB LEU 61 4.707 4.077 6.164 505 HB3 LEU 61 1HB LEU 61 4.561 2.371 6.535 506 HG LEU 61 HG LEU 61 2.550 3.005 5.452 507 HD11 LEU 61 1HD1 LEU 61 0.841 2.561 7.122 508 HD12 LEU 61 2HD1 LEU 61 1.988 2.917 8.413 509 HD13 LEU 61 3HD1 LEU 61 2.244 1.521 7.364 510 HD21 LEU 61 3HD2 LEU 61 1.128 4.848 6.181 511 HD22 LEU 61 1HD2 LEU 61 2.725 5.420 5.709 512 HD23 LEU 61 2HD2 LEU 61 2.308 5.284 7.418 513 H VAL 62 H VAL 62 5.569 1.746 9.619 514 HA VAL 62 HA VAL 62 8.265 2.666 9.813 515 HB VAL 62 HB VAL 62 7.219 -0.144 10.257 516 HG11 VAL 62 1HG1 VAL 62 9.709 1.229 11.279 517 HG12 VAL 62 2HG1 VAL 62 9.646 -0.063 10.079 518 HG13 VAL 62 3HG1 VAL 62 9.164 -0.382 11.746 519 HG21 VAL 62 3HG2 VAL 62 7.016 0.482 12.622 520 HG22 VAL 62 1HG2 VAL 62 5.964 1.460 11.599 521 HG23 VAL 62 2HG2 VAL 62 7.469 2.142 12.220 522 H GLU 63 H GLU 63 10.113 1.981 8.701 523 HA GLU 63 HA GLU 63 9.879 1.580 5.963 524 HB2 GLU 63 2HB GLU 63 12.236 1.074 7.779 525 HB3 GLU 63 1HB GLU 63 12.335 1.075 6.026 526 HG2 GLU 63 2HG GLU 63 11.440 3.432 6.084 527 HG3 GLU 63 1HG GLU 63 11.657 3.385 7.833 528 H THR 64 H THR 64 9.978 -0.819 8.475 529 HA THR 64 HA THR 64 10.691 -3.049 6.802 530 HB THR 64 HB THR 64 10.060 -4.444 8.738 531 HG1 THR 64 HG1 THR 64 9.583 -2.814 10.667 532 HG21 THR 64 3HG2 THR 64 11.676 -1.998 9.492 533 HG22 THR 64 1HG2 THR 64 12.297 -3.449 8.703 534 HG23 THR 64 2HG2 THR 64 11.682 -3.538 10.355 535 H SER 65 H SER 65 7.858 -1.276 7.030 536 HA SER 65 HA SER 65 6.004 -3.513 6.756 537 HB2 SER 65 2HB SER 65 5.447 -0.532 6.673 538 HB3 SER 65 1HB SER 65 4.245 -1.816 6.809 539 HG SER 65 HG SER 65 6.204 -1.030 8.693 540 H THR 66 H THR 66 4.951 -4.115 4.911 541 HA THR 66 HA THR 66 5.775 -2.864 2.385 542 HB THR 66 HB THR 66 4.903 -4.776 1.242 543 HG1 THR 66 HG1 THR 66 3.849 -6.469 2.598 544 HG21 THR 66 3HG2 THR 66 6.112 -6.642 2.291 545 HG22 THR 66 1HG2 THR 66 6.251 -5.714 3.784 546 HG23 THR 66 2HG2 THR 66 7.065 -5.160 2.321 547 H LEU 67 H LEU 67 4.139 -2.419 0.722 548 HA LEU 67 HA LEU 67 2.004 -0.836 1.674 549 HB2 LEU 67 2HB LEU 67 2.497 -2.014 -1.069 550 HB3 LEU 67 1HB LEU 67 1.207 -0.880 -0.722 551 HG LEU 67 HG LEU 67 2.937 0.382 -1.718 552 HD11 LEU 67 1HD1 LEU 67 1.921 1.472 0.203 553 HD12 LEU 67 2HD1 LEU 67 3.608 1.951 0.021 554 HD13 LEU 67 3HD1 LEU 67 3.153 0.782 1.263 555 HD21 LEU 67 3HD2 LEU 67 4.887 -0.829 0.242 556 HD22 LEU 67 1HD2 LEU 67 5.254 0.386 -0.984 557 HD23 LEU 67 2HD2 LEU 67 4.756 -1.234 -1.470 558 H LYS 68 H LYS 68 2.166 -4.179 0.613 559 HA LYS 68 HA LYS 68 -0.615 -4.711 0.534 560 HB2 LYS 68 2HB LYS 68 1.106 -6.117 -0.554 561 HB3 LYS 68 1HB LYS 68 1.689 -6.617 1.027 562 HG2 LYS 68 2HG LYS 68 -0.280 -7.850 1.473 563 HG3 LYS 68 1HG LYS 68 -1.138 -7.114 0.117 564 HD2 LYS 68 2HD LYS 68 -0.463 -9.392 -0.434 565 HD3 LYS 68 1HD LYS 68 0.390 -8.232 -1.452 566 HE2 LYS 68 2HE LYS 68 1.949 -9.912 -0.751 567 HE3 LYS 68 1HE LYS 68 2.345 -8.415 0.091 568 HZ1 LYS 68 3HZ LYS 68 1.202 -9.262 2.046 569 HZ2 LYS 68 1HZ LYS 68 2.428 -10.325 1.569 570 HZ3 LYS 68 2HZ LYS 68 0.812 -10.689 1.230 571 H GLN 69 H GLN 69 1.739 -4.730 3.145 572 HA GLN 69 HA GLN 69 -0.023 -5.967 5.065 573 HB2 GLN 69 2HB GLN 69 2.589 -4.474 5.382 574 HB3 GLN 69 1HB GLN 69 1.730 -5.229 6.718 575 HG2 GLN 69 2HG GLN 69 2.009 -7.409 5.732 576 HG3 GLN 69 1HG GLN 69 2.734 -6.701 4.289 577 HE21 GLN 69 1HE2 GLN 69 3.826 -8.652 6.176 578 HE22 GLN 69 2HE2 GLN 69 5.297 -7.966 6.764 579 H SER 70 H SER 70 0.732 -2.672 4.108 580 HA SER 70 HA SER 70 -0.622 -1.544 6.444 581 HB2 SER 70 2HB SER 70 0.874 -0.208 4.172 582 HB3 SER 70 1HB SER 70 0.170 0.643 5.549 583 HG SER 70 HG SER 70 2.285 0.266 6.056 584 H ASP 71 H ASP 71 -2.091 -2.916 4.123 585 HA ASP 71 HA ASP 71 -4.136 -2.730 3.147 586 HB2 ASP 71 2HB ASP 71 -4.322 -0.389 5.050 587 HB3 ASP 71 1HB ASP 71 -5.665 -0.896 4.030 588 H VAL 72 H VAL 72 -1.727 -1.104 2.117 589 HA VAL 72 HA VAL 72 -2.970 1.089 0.689 590 HB VAL 72 HB VAL 72 -0.196 -0.094 0.393 591 HG11 VAL 72 1HG1 VAL 72 0.368 1.996 -0.764 592 HG12 VAL 72 2HG1 VAL 72 -1.313 2.516 -0.648 593 HG13 VAL 72 3HG1 VAL 72 -0.892 1.107 -1.621 594 HG21 VAL 72 3HG2 VAL 72 0.553 1.822 1.727 595 HG22 VAL 72 1HG2 VAL 72 -0.593 0.828 2.629 596 HG23 VAL 72 2HG2 VAL 72 -1.120 2.352 1.914 597 H GLY 73 H GLY 73 -3.929 0.960 -1.255 598 HA2 GLY 73 2HA GLY 73 -3.241 -1.233 -3.083 599 HA3 GLY 73 1HA GLY 73 -4.908 -1.098 -2.549 600 H SER 74 H SER 74 -5.188 -0.978 -4.952 601 HA SER 74 HA SER 74 -4.330 1.195 -6.499 602 HB2 SER 74 2HB SER 74 -5.345 -0.828 -7.473 603 HB3 SER 74 1HB SER 74 -6.907 -0.374 -6.792 604 HG SER 74 HG SER 74 -6.779 0.292 -8.945 605 H GLY 75 H GLY 75 -4.577 3.257 -5.846 606 HA2 GLY 75 2HA GLY 75 -6.049 5.181 -5.992 607 HA3 GLY 75 1HA GLY 75 -7.323 4.203 -5.283 608 H ALA 76 H ALA 76 -4.419 3.596 -3.709 609 HA ALA 76 HA ALA 76 -5.281 4.972 -1.329 610 HB1 ALA 76 3HB ALA 76 -4.239 2.760 -1.215 611 HB2 ALA 76 1HB ALA 76 -3.330 3.945 -0.279 612 HB3 ALA 76 2HB ALA 76 -2.739 3.428 -1.859 613 H LYS 77 H LYS 77 -4.398 6.770 -0.366 614 HA LYS 77 HA LYS 77 -2.421 8.271 -1.966 615 HB2 LYS 77 2HB LYS 77 -4.693 9.393 -0.306 616 HB3 LYS 77 1HB LYS 77 -3.546 10.328 -1.263 617 HG2 LYS 77 2HG LYS 77 -4.368 9.183 -3.300 618 HG3 LYS 77 1HG LYS 77 -5.569 8.351 -2.314 619 HD2 LYS 77 2HD LYS 77 -6.556 10.512 -1.698 620 HD3 LYS 77 1HD LYS 77 -5.345 11.345 -2.678 621 HE2 LYS 77 2HE LYS 77 -7.445 9.414 -3.679 622 HE3 LYS 77 1HE LYS 77 -7.440 11.163 -3.903 623 HZ1 LYS 77 3HZ LYS 77 -6.647 10.108 -5.885 624 HZ2 LYS 77 1HZ LYS 77 -5.484 9.228 -5.029 625 HZ3 LYS 77 2HZ LYS 77 -5.349 10.908 -5.157 626 H LEU 78 H LEU 78 -0.582 8.765 -0.997 627 HA LEU 78 HA LEU 78 -0.358 8.362 1.918 628 HB2 LEU 78 2HB LEU 78 1.799 8.181 -0.195 629 HB3 LEU 78 1HB LEU 78 1.998 7.831 1.511 630 HG LEU 78 HG LEU 78 0.243 6.257 -0.386 631 HD11 LEU 78 1HD1 LEU 78 2.957 5.608 0.766 632 HD12 LEU 78 2HD1 LEU 78 2.586 5.946 -0.925 633 HD13 LEU 78 3HD1 LEU 78 1.942 4.496 -0.156 634 HD21 LEU 78 3HD2 LEU 78 1.033 5.700 2.476 635 HD22 LEU 78 1HD2 LEU 78 0.061 4.655 1.439 636 HD23 LEU 78 2HD2 LEU 78 -0.559 6.228 1.932 637 H MET 79 H MET 79 -0.249 10.251 3.018 638 HA MET 79 HA MET 79 0.803 12.668 1.880 639 HB2 MET 79 2HB MET 79 -0.921 12.687 3.663 640 HB3 MET 79 1HB MET 79 0.244 12.000 4.787 641 HG2 MET 79 2HG MET 79 1.652 14.012 4.500 642 HG3 MET 79 1HG MET 79 0.408 14.700 3.457 643 HE1 MET 79 3HE MET 79 -2.124 15.166 4.333 644 HE2 MET 79 1HE MET 79 -2.612 14.960 6.016 645 HE3 MET 79 2HE MET 79 -2.225 13.548 5.032 646 H LEU 80 H LEU 80 2.932 12.598 1.313 647 HA LEU 80 HA LEU 80 4.848 11.325 3.120 648 HB2 LEU 80 2HB LEU 80 4.927 10.680 0.773 649 HB3 LEU 80 1HB LEU 80 5.164 12.351 0.295 650 HG LEU 80 HG LEU 80 7.373 12.389 1.280 651 HD11 LEU 80 1HD1 LEU 80 8.354 10.414 2.340 652 HD12 LEU 80 2HD1 LEU 80 6.814 9.572 2.204 653 HD13 LEU 80 3HD1 LEU 80 6.952 10.995 3.233 654 HD21 LEU 80 3HD2 LEU 80 7.170 11.483 -0.989 655 HD22 LEU 80 1HD2 LEU 80 6.991 9.859 -0.324 656 HD23 LEU 80 2HD2 LEU 80 8.505 10.739 -0.108 657 H MET 81 H MET 81 5.327 12.698 4.742 658 HA MET 81 HA MET 81 5.916 15.486 4.314 659 HB2 MET 81 2HB MET 81 4.999 14.672 6.459 660 HB3 MET 81 1HB MET 81 6.453 13.719 6.721 661 HG2 MET 81 2HG MET 81 7.769 15.822 6.741 662 HG3 MET 81 1HG MET 81 6.258 16.724 6.621 663 HE1 MET 81 3HE MET 81 6.944 18.085 8.812 664 HE2 MET 81 1HE MET 81 8.438 17.161 8.957 665 HE3 MET 81 2HE MET 81 7.363 17.322 10.344 666 H ALA 82 H ALA 82 7.580 15.498 2.759 667 HA ALA 82 HA ALA 82 10.116 14.185 3.436 668 HB1 ALA 82 3HB ALA 82 9.225 13.841 1.181 669 HB2 ALA 82 1HB ALA 82 10.775 14.683 1.134 670 HB3 ALA 82 2HB ALA 82 9.275 15.578 0.889 671 H SER 83 H SER 83 11.059 15.467 4.990 672 HA SER 83 HA SER 83 11.652 18.278 4.257 673 HB2 SER 83 2HB SER 83 11.540 17.052 7.034 674 HB3 SER 83 1HB SER 83 11.877 18.744 6.663 675 HG SER 83 HG SER 83 9.794 18.994 5.950 676 H GLN 84 H GLN 84 13.712 18.669 3.725 677 HA GLN 84 HA GLN 84 15.740 16.650 4.108 678 HB2 GLN 84 2HB GLN 84 15.764 19.351 2.757 679 HB3 GLN 84 1HB GLN 84 17.193 18.333 2.870 680 HG2 GLN 84 2HG GLN 84 14.610 17.436 1.605 681 HG3 GLN 84 1HG GLN 84 15.929 18.189 0.710 682 HE21 GLN 84 1HE2 GLN 84 17.806 17.026 0.344 683 HE22 GLN 84 2HE2 GLN 84 17.927 15.329 0.627 684 H GLY 85 H GLY 85 15.989 20.173 4.716 685 HA2 GLY 85 2HA GLY 85 18.210 19.829 6.469 686 HA3 GLY 85 1HA GLY 85 17.338 21.322 6.186 Start of MODEL 17 1 H1 MET 1 1H MET 1 -10.205 -28.346 -8.051 2 H2 MET 1 2H MET 1 -9.574 -26.777 -8.126 3 H3 MET 1 3H MET 1 -8.597 -28.098 -8.511 4 HA MET 1 HA MET 1 -9.906 -28.599 -10.437 5 HB2 MET 1 2HB MET 1 -11.530 -26.182 -9.607 6 HB3 MET 1 1HB MET 1 -11.707 -27.035 -11.134 7 HG2 MET 1 2HG MET 1 -13.430 -27.682 -9.542 8 HG3 MET 1 1HG MET 1 -12.395 -29.049 -9.956 9 HE1 MET 1 3HE MET 1 -13.273 -29.823 -6.236 10 HE2 MET 1 1HE MET 1 -13.258 -30.429 -7.891 11 HE3 MET 1 2HE MET 1 -14.340 -29.109 -7.445 12 H GLY 2 H GLY 2 -9.334 -27.714 -12.460 13 HA2 GLY 2 2HA GLY 2 -7.159 -25.767 -12.229 14 HA3 GLY 2 1HA GLY 2 -7.448 -26.849 -13.574 15 H HIS 3 H HIS 3 -10.365 -25.883 -13.638 16 HA HIS 3 HA HIS 3 -9.789 -23.853 -15.629 17 HB2 HIS 3 2HB HIS 3 -12.395 -25.161 -14.815 18 HB3 HIS 3 1HB HIS 3 -12.230 -24.015 -16.139 19 HD1 HIS 3 HD1 HIS 3 -11.743 -25.002 -18.358 20 HD2 HIS 3 HD2 HIS 3 -10.787 -27.605 -15.271 21 HE1 HIS 3 HE1 HIS 3 -11.079 -27.146 -19.474 22 HE2 HIS 3 HE2 HIS 3 -10.730 -28.761 -17.582 23 H HIS 4 H HIS 4 -9.184 -22.809 -13.132 24 HA HIS 4 HA HIS 4 -11.128 -20.599 -13.013 25 HB2 HIS 4 2HB HIS 4 -9.885 -22.030 -10.660 26 HB3 HIS 4 1HB HIS 4 -10.584 -20.422 -10.527 27 HD1 HIS 4 HD1 HIS 4 -11.499 -23.502 -9.490 28 HD2 HIS 4 HD2 HIS 4 -13.405 -20.817 -12.024 29 HE1 HIS 4 HE1 HIS 4 -13.931 -24.122 -9.422 30 HE2 HIS 4 HE2 HIS 4 -15.078 -22.368 -10.808 31 H HIS 5 H HIS 5 -10.262 -18.565 -12.376 32 HA HIS 5 HA HIS 5 -8.794 -16.858 -12.589 33 HB2 HIS 5 2HB HIS 5 -6.965 -18.849 -11.235 34 HB3 HIS 5 1HB HIS 5 -6.580 -17.146 -11.455 35 HD1 HIS 5 HD1 HIS 5 -7.839 -15.439 -9.966 36 HD2 HIS 5 HD2 HIS 5 -8.839 -19.407 -9.217 37 HE1 HIS 5 HE1 HIS 5 -9.080 -15.422 -7.787 38 HE2 HIS 5 HE2 HIS 5 -9.472 -17.844 -7.255 39 H HIS 6 H HIS 6 -8.877 -17.050 -14.942 40 HA HIS 6 HA HIS 6 -6.667 -18.227 -16.347 41 HB2 HIS 6 2HB HIS 6 -8.680 -16.124 -17.188 42 HB3 HIS 6 1HB HIS 6 -7.467 -16.799 -18.268 43 HD1 HIS 6 HD1 HIS 6 -10.855 -17.321 -17.114 44 HD2 HIS 6 HD2 HIS 6 -7.819 -19.713 -18.637 45 HE1 HIS 6 HE1 HIS 6 -11.982 -19.422 -17.884 46 HE2 HIS 6 HE2 HIS 6 -10.162 -20.753 -18.990 47 H HIS 7 H HIS 7 -7.297 -15.179 -14.820 48 HA HIS 7 HA HIS 7 -4.635 -14.172 -15.613 49 HB2 HIS 7 2HB HIS 7 -6.384 -12.744 -16.488 50 HB3 HIS 7 1HB HIS 7 -7.169 -12.660 -14.917 51 HD1 HIS 7 HD1 HIS 7 -4.083 -11.433 -16.717 52 HD2 HIS 7 HD2 HIS 7 -6.251 -10.649 -13.261 53 HE1 HIS 7 HE1 HIS 7 -3.089 -9.343 -15.758 54 HE2 HIS 7 HE2 HIS 7 -4.559 -8.773 -13.806 55 H HIS 8 H HIS 8 -3.472 -15.078 -13.900 56 HA HIS 8 HA HIS 8 -4.279 -14.734 -11.150 57 HB2 HIS 8 2HB HIS 8 -2.883 -16.655 -12.041 58 HB3 HIS 8 1HB HIS 8 -1.543 -15.524 -12.194 59 HD1 HIS 8 HD1 HIS 8 -3.277 -17.691 -9.800 60 HD2 HIS 8 HD2 HIS 8 -0.587 -14.525 -9.639 61 HE1 HIS 8 HE1 HIS 8 -2.335 -17.725 -7.477 62 HE2 HIS 8 HE2 HIS 8 -0.662 -15.853 -7.419 63 H SER 9 H SER 9 -3.889 -12.992 -9.880 64 HA SER 9 HA SER 9 -2.888 -10.617 -11.085 65 HB2 SER 9 2HB SER 9 -3.350 -9.527 -8.935 66 HB3 SER 9 1HB SER 9 -4.695 -10.558 -9.419 67 HG SER 9 HG SER 9 -4.434 -11.612 -7.642 68 H HIS 10 H HIS 10 -1.018 -9.587 -10.957 69 HA HIS 10 HA HIS 10 0.912 -10.008 -8.853 70 HB2 HIS 10 2HB HIS 10 1.343 -11.912 -10.444 71 HB3 HIS 10 1HB HIS 10 1.683 -10.730 -11.701 72 HD1 HIS 10 HD1 HIS 10 3.044 -11.874 -8.348 73 HD2 HIS 10 HD2 HIS 10 4.283 -9.861 -11.765 74 HE1 HIS 10 HE1 HIS 10 5.515 -11.532 -8.073 75 HE2 HIS 10 HE2 HIS 10 6.261 -10.470 -10.219 76 H SER 11 H SER 11 -0.731 -7.904 -10.198 77 HA SER 11 HA SER 11 1.144 -6.270 -11.711 78 HB2 SER 11 2HB SER 11 -1.787 -5.831 -11.071 79 HB3 SER 11 1HB SER 11 -0.820 -4.844 -12.169 80 HG SER 11 HG SER 11 -0.537 -6.679 -13.479 81 H THR 12 H THR 12 0.523 -3.744 -11.265 82 HA THR 12 HA THR 12 1.609 -3.215 -8.599 83 HB THR 12 HB THR 12 1.992 -0.930 -9.422 84 HG1 THR 12 HG1 THR 12 1.196 -1.613 -12.024 85 HG21 THR 12 3HG2 THR 12 3.710 -2.605 -9.897 86 HG22 THR 12 1HG2 THR 12 3.599 -1.441 -11.218 87 HG23 THR 12 2HG2 THR 12 2.886 -3.045 -11.394 88 H ILE 13 H ILE 13 0.825 -1.064 -7.591 89 HA ILE 13 HA ILE 13 -2.113 -0.816 -7.802 90 HB ILE 13 HB ILE 13 -2.106 -0.063 -5.420 91 HG12 ILE 13 2HG1 ILE 13 0.757 -1.078 -5.443 92 HG13 ILE 13 1HG1 ILE 13 0.264 0.600 -5.247 93 HG21 ILE 13 1HG2 ILE 13 -1.929 -2.300 -4.453 94 HG22 ILE 13 2HG2 ILE 13 -1.056 -2.858 -5.879 95 HG23 ILE 13 3HG2 ILE 13 -2.737 -2.345 -6.020 96 HD11 ILE 13 3HD1 ILE 13 -0.312 -1.660 -3.342 97 HD12 ILE 13 1HD1 ILE 13 -0.861 0.006 -3.149 98 HD13 ILE 13 2HD1 ILE 13 0.862 -0.365 -3.119 99 H LYS 14 H LYS 14 -2.897 1.171 -8.252 100 HA LYS 14 HA LYS 14 -1.045 3.298 -8.855 101 HB2 LYS 14 2HB LYS 14 -4.069 3.452 -8.895 102 HB3 LYS 14 1HB LYS 14 -2.932 4.476 -9.763 103 HG2 LYS 14 2HG LYS 14 -2.233 2.495 -11.090 104 HG3 LYS 14 1HG LYS 14 -3.483 1.555 -10.269 105 HD2 LYS 14 2HD LYS 14 -5.144 3.288 -11.106 106 HD3 LYS 14 1HD LYS 14 -3.844 3.903 -12.129 107 HE2 LYS 14 2HE LYS 14 -5.223 2.376 -13.399 108 HE3 LYS 14 1HE LYS 14 -3.630 1.662 -13.151 109 HZ1 LYS 14 3HZ LYS 14 -5.458 0.086 -12.795 110 HZ2 LYS 14 1HZ LYS 14 -6.037 1.037 -11.524 111 HZ3 LYS 14 2HZ LYS 14 -4.524 0.290 -11.404 112 H LEU 15 H LEU 15 -0.179 4.277 -7.079 113 HA LEU 15 HA LEU 15 -2.012 5.245 -4.972 114 HB2 LEU 15 2HB LEU 15 0.992 4.907 -4.893 115 HB3 LEU 15 1HB LEU 15 -0.011 5.453 -3.561 116 HG LEU 15 HG LEU 15 -0.056 2.706 -4.824 117 HD11 LEU 15 1HD1 LEU 15 0.871 3.630 -2.108 118 HD12 LEU 15 2HD1 LEU 15 1.898 3.077 -3.431 119 HD13 LEU 15 3HD1 LEU 15 0.783 1.955 -2.652 120 HD21 LEU 15 3HD2 LEU 15 -1.638 2.117 -3.034 121 HD22 LEU 15 1HD2 LEU 15 -2.300 3.331 -4.129 122 HD23 LEU 15 2HD2 LEU 15 -1.698 3.810 -2.541 123 H THR 16 H THR 16 -1.191 7.351 -3.915 124 HA THR 16 HA THR 16 0.160 9.157 -5.802 125 HB THR 16 HB THR 16 -2.458 9.839 -4.433 126 HG1 THR 16 HG1 THR 16 -1.979 8.702 -6.782 127 HG21 THR 16 3HG2 THR 16 -0.980 11.775 -4.451 128 HG22 THR 16 1HG2 THR 16 -2.274 11.997 -5.629 129 HG23 THR 16 2HG2 THR 16 -0.656 11.542 -6.168 130 H VAL 17 H VAL 17 1.916 9.789 -4.714 131 HA VAL 17 HA VAL 17 1.757 10.223 -1.805 132 HB VAL 17 HB VAL 17 3.499 8.678 -2.544 133 HG11 VAL 17 1HG1 VAL 17 3.893 9.528 -4.790 134 HG12 VAL 17 2HG1 VAL 17 5.406 9.432 -3.890 135 HG13 VAL 17 3HG1 VAL 17 4.620 10.994 -4.127 136 HG21 VAL 17 3HG2 VAL 17 5.426 9.711 -1.437 137 HG22 VAL 17 1HG2 VAL 17 3.929 10.012 -0.555 138 HG23 VAL 17 2HG2 VAL 17 4.642 11.289 -1.543 139 H LYS 18 H LYS 18 2.039 12.231 -0.906 140 HA LYS 18 HA LYS 18 2.158 14.479 -2.779 141 HB2 LYS 18 2HB LYS 18 1.405 15.860 -0.865 142 HB3 LYS 18 1HB LYS 18 0.309 14.537 -1.238 143 HG2 LYS 18 2HG LYS 18 0.964 13.306 0.661 144 HG3 LYS 18 1HG LYS 18 2.391 14.312 0.921 145 HD2 LYS 18 2HD LYS 18 -0.454 15.304 1.150 146 HD3 LYS 18 1HD LYS 18 0.514 14.749 2.517 147 HE2 LYS 18 2HE LYS 18 1.222 17.050 0.685 148 HE3 LYS 18 1HE LYS 18 0.533 17.206 2.300 149 HZ1 LYS 18 3HZ LYS 18 3.167 15.969 1.673 150 HZ2 LYS 18 1HZ LYS 18 2.506 16.168 3.219 151 HZ3 LYS 18 2HZ LYS 18 2.935 17.522 2.304 152 H PHE 19 H PHE 19 4.072 15.374 -3.194 153 HA PHE 19 HA PHE 19 6.066 15.663 -1.055 154 HB2 PHE 19 2HB PHE 19 6.155 15.984 -4.043 155 HB3 PHE 19 1HB PHE 19 7.368 16.780 -3.051 156 HD1 PHE 19 HD1 PHE 19 8.545 15.237 -1.286 157 HD2 PHE 19 HD2 PHE 19 6.577 13.827 -4.793 158 HE1 PHE 19 HE1 PHE 19 9.883 13.178 -1.205 159 HE2 PHE 19 HE2 PHE 19 7.905 11.759 -4.703 160 HZ PHE 19 HZ PHE 19 9.559 11.434 -2.907 161 H GLY 20 H GLY 20 5.761 17.379 0.241 162 HA2 GLY 20 2HA GLY 20 5.182 19.477 0.990 163 HA3 GLY 20 1HA GLY 20 5.651 20.048 -0.604 164 H GLY 21 H GLY 21 4.092 20.605 -2.069 165 HA2 GLY 21 2HA GLY 21 1.270 20.289 -1.207 166 HA3 GLY 21 1HA GLY 21 1.869 21.647 -2.146 167 H LYS 22 H LYS 22 3.462 19.136 -3.449 168 HA LYS 22 HA LYS 22 1.588 18.997 -5.688 169 HB2 LYS 22 2HB LYS 22 4.472 18.122 -5.438 170 HB3 LYS 22 1HB LYS 22 3.516 17.988 -6.909 171 HG2 LYS 22 2HG LYS 22 4.221 20.561 -5.494 172 HG3 LYS 22 1HG LYS 22 4.989 19.940 -6.958 173 HD2 LYS 22 2HD LYS 22 2.821 20.078 -8.129 174 HD3 LYS 22 1HD LYS 22 2.079 20.728 -6.667 175 HE2 LYS 22 2HE LYS 22 3.573 22.668 -6.771 176 HE3 LYS 22 1HE LYS 22 4.325 22.012 -8.226 177 HZ1 LYS 22 3HZ LYS 22 1.473 22.803 -7.956 178 HZ2 LYS 22 1HZ LYS 22 2.194 22.174 -9.352 179 HZ3 LYS 22 2HZ LYS 22 2.673 23.683 -8.763 180 H SER 23 H SER 23 0.416 17.255 -6.195 181 HA SER 23 HA SER 23 0.720 14.800 -4.632 182 HB2 SER 23 2HB SER 23 -1.438 15.617 -6.604 183 HB3 SER 23 1HB SER 23 -1.465 14.166 -5.602 184 HG SER 23 HG SER 23 -1.066 16.099 -3.918 185 H ILE 24 H ILE 24 1.963 13.212 -5.411 186 HA ILE 24 HA ILE 24 2.421 13.037 -8.320 187 HB ILE 24 HB ILE 24 4.118 11.896 -6.088 188 HG12 ILE 24 2HG1 ILE 24 4.144 14.342 -6.007 189 HG13 ILE 24 1HG1 ILE 24 5.692 13.738 -6.586 190 HG21 ILE 24 1HG2 ILE 24 5.819 11.613 -7.848 191 HG22 ILE 24 2HG2 ILE 24 4.656 12.171 -9.048 192 HG23 ILE 24 3HG2 ILE 24 4.365 10.668 -8.171 193 HD11 ILE 24 3HD1 ILE 24 4.970 15.704 -7.815 194 HD12 ILE 24 1HD1 ILE 24 3.497 14.870 -8.303 195 HD13 ILE 24 2HD1 ILE 24 5.066 14.295 -8.870 196 HA PRO 25 HA PRO 25 0.073 9.129 -7.796 197 HB2 PRO 25 2HB PRO 25 -0.326 9.350 -10.697 198 HB3 PRO 25 1HB PRO 25 -1.530 9.330 -9.404 199 HG2 PRO 25 2HG PRO 25 -1.003 11.554 -10.846 200 HG3 PRO 25 1HG PRO 25 -1.482 11.622 -9.140 201 HD2 PRO 25 2HD PRO 25 1.267 11.832 -10.344 202 HD3 PRO 25 1HD PRO 25 0.522 12.814 -9.062 203 H LEU 26 H LEU 26 1.341 7.367 -7.627 204 HA LEU 26 HA LEU 26 3.090 6.618 -9.886 205 HB2 LEU 26 2HB LEU 26 3.754 6.444 -6.939 206 HB3 LEU 26 1HB LEU 26 4.729 5.751 -8.221 207 HG LEU 26 HG LEU 26 4.178 8.705 -7.855 208 HD11 LEU 26 1HD1 LEU 26 6.545 8.850 -7.212 209 HD12 LEU 26 2HD1 LEU 26 6.664 7.091 -7.278 210 HD13 LEU 26 3HD1 LEU 26 5.611 7.859 -6.090 211 HD21 LEU 26 3HD2 LEU 26 4.501 8.150 -10.196 212 HD22 LEU 26 1HD2 LEU 26 5.970 7.253 -9.811 213 HD23 LEU 26 2HD2 LEU 26 5.915 9.001 -9.580 214 H SER 27 H SER 27 2.915 4.544 -10.553 215 HA SER 27 HA SER 27 1.179 2.717 -9.038 216 HB2 SER 27 2HB SER 27 1.158 1.350 -11.121 217 HB3 SER 27 1HB SER 27 0.602 3.000 -11.395 218 HG SER 27 HG SER 27 2.839 1.694 -12.353 219 H VAL 28 H VAL 28 2.527 1.961 -7.417 220 HA VAL 28 HA VAL 28 5.094 0.744 -8.198 221 HB VAL 28 HB VAL 28 5.684 0.791 -5.819 222 HG11 VAL 28 1HG1 VAL 28 6.266 2.712 -7.181 223 HG12 VAL 28 2HG1 VAL 28 5.846 3.235 -5.552 224 HG13 VAL 28 3HG1 VAL 28 4.692 3.445 -6.869 225 HG21 VAL 28 3HG2 VAL 28 4.239 1.941 -4.190 226 HG22 VAL 28 1HG2 VAL 28 3.472 0.495 -4.841 227 HG23 VAL 28 2HG2 VAL 28 2.980 2.088 -5.416 228 H SER 29 H SER 29 5.752 -1.236 -6.966 229 HA SER 29 HA SER 29 3.792 -3.304 -7.237 230 HB2 SER 29 2HB SER 29 6.536 -3.430 -5.952 231 HB3 SER 29 1HB SER 29 5.564 -4.813 -6.445 232 HG SER 29 HG SER 29 6.587 -2.790 -8.170 233 HA PRO 30 HA PRO 30 1.798 -2.750 -3.332 234 HB2 PRO 30 2HB PRO 30 0.690 -5.265 -3.071 235 HB3 PRO 30 1HB PRO 30 0.021 -3.976 -4.076 236 HG2 PRO 30 2HG PRO 30 1.765 -6.286 -4.867 237 HG3 PRO 30 1HG PRO 30 0.333 -5.631 -5.688 238 HD2 PRO 30 2HD PRO 30 2.800 -5.053 -6.551 239 HD3 PRO 30 1HD PRO 30 1.513 -3.828 -6.580 240 H ASP 31 H ASP 31 3.776 -5.687 -3.721 241 HA ASP 31 HA ASP 31 4.081 -5.908 -0.824 242 HB2 ASP 31 2HB ASP 31 4.875 -7.725 -3.104 243 HB3 ASP 31 1HB ASP 31 5.284 -8.046 -1.417 244 H CYS 32 H CYS 32 5.370 -3.722 -2.381 245 HA CYS 32 HA CYS 32 8.187 -4.195 -1.696 246 HB2 CYS 32 2HB CYS 32 6.807 -1.852 -3.033 247 HB3 CYS 32 1HB CYS 32 8.521 -1.881 -2.634 248 HG CYS 32 HG CYS 32 8.677 -2.439 -5.230 249 H THR 33 H THR 33 9.094 -3.424 0.166 250 HA THR 33 HA THR 33 7.362 -2.456 2.220 251 HB THR 33 HB THR 33 9.343 -2.313 3.648 252 HG1 THR 33 HG1 THR 33 11.395 -3.030 2.589 253 HG21 THR 33 3HG2 THR 33 8.341 -4.519 3.319 254 HG22 THR 33 1HG2 THR 33 10.086 -4.649 3.523 255 HG23 THR 33 2HG2 THR 33 9.373 -4.789 1.916 256 H VAL 34 H VAL 34 7.425 -0.458 3.346 257 HA VAL 34 HA VAL 34 7.735 1.840 1.718 258 HB VAL 34 HB VAL 34 7.246 3.156 3.702 259 HG11 VAL 34 1HG1 VAL 34 5.381 2.065 2.577 260 HG12 VAL 34 2HG1 VAL 34 5.092 2.132 4.313 261 HG13 VAL 34 3HG1 VAL 34 5.603 0.621 3.565 262 HG21 VAL 34 3HG2 VAL 34 6.983 2.085 5.905 263 HG22 VAL 34 1HG2 VAL 34 8.645 1.998 5.322 264 HG23 VAL 34 2HG2 VAL 34 7.604 0.577 5.236 265 H LYS 35 H LYS 35 10.046 0.043 3.450 266 HA LYS 35 HA LYS 35 12.033 2.111 3.660 267 HB2 LYS 35 2HB LYS 35 12.106 0.009 4.996 268 HB3 LYS 35 1HB LYS 35 12.393 -0.898 3.518 269 HG2 LYS 35 2HG LYS 35 14.496 0.318 3.183 270 HG3 LYS 35 1HG LYS 35 14.211 1.218 4.675 271 HD2 LYS 35 2HD LYS 35 14.238 -0.900 5.939 272 HD3 LYS 35 1HD LYS 35 14.562 -1.779 4.443 273 HE2 LYS 35 2HE LYS 35 16.335 0.305 5.720 274 HE3 LYS 35 1HE LYS 35 16.620 -1.434 5.692 275 HZ1 LYS 35 3HZ LYS 35 16.779 -1.323 3.277 276 HZ2 LYS 35 1HZ LYS 35 17.924 -0.318 4.005 277 HZ3 LYS 35 2HZ LYS 35 16.534 0.347 3.316 278 H ASP 36 H ASP 36 11.272 -0.471 1.341 279 HA ASP 36 HA ASP 36 13.258 0.032 -0.571 280 HB2 ASP 36 2HB ASP 36 11.631 -1.937 -0.426 281 HB3 ASP 36 1HB ASP 36 10.438 -0.890 -1.183 282 H LEU 37 H LEU 37 9.978 1.387 -0.240 283 HA LEU 37 HA LEU 37 9.910 3.059 -2.456 284 HB2 LEU 37 2HB LEU 37 8.744 3.424 0.298 285 HB3 LEU 37 1HB LEU 37 8.428 4.547 -1.012 286 HG LEU 37 HG LEU 37 7.694 1.612 -0.982 287 HD11 LEU 37 1HD1 LEU 37 6.294 2.952 0.499 288 HD12 LEU 37 2HD1 LEU 37 5.387 2.432 -0.918 289 HD13 LEU 37 3HD1 LEU 37 5.974 4.091 -0.810 290 HD21 LEU 37 3HD2 LEU 37 7.201 3.743 -3.070 291 HD22 LEU 37 1HD2 LEU 37 6.518 2.115 -3.088 292 HD23 LEU 37 2HD2 LEU 37 8.261 2.342 -3.233 293 H LYS 38 H LYS 38 11.169 3.837 0.797 294 HA LYS 38 HA LYS 38 11.957 6.466 0.269 295 HB2 LYS 38 2HB LYS 38 13.068 4.446 2.223 296 HB3 LYS 38 1HB LYS 38 13.601 6.122 2.171 297 HG2 LYS 38 2HG LYS 38 11.194 6.787 2.532 298 HG3 LYS 38 1HG LYS 38 10.850 5.086 2.841 299 HD2 LYS 38 2HD LYS 38 12.890 6.717 4.368 300 HD3 LYS 38 1HD LYS 38 11.233 6.449 4.906 301 HE2 LYS 38 2HE LYS 38 13.166 4.209 4.321 302 HE3 LYS 38 1HE LYS 38 12.975 4.928 5.920 303 HZ1 LYS 38 3HZ LYS 38 10.649 4.289 5.891 304 HZ2 LYS 38 1HZ LYS 38 11.642 2.937 5.682 305 HZ3 LYS 38 2HZ LYS 38 10.824 3.604 4.356 306 H SER 39 H SER 39 13.400 3.492 -0.736 307 HA SER 39 HA SER 39 15.916 4.708 -1.532 308 HB2 SER 39 2HB SER 39 15.912 2.353 -0.851 309 HB3 SER 39 1HB SER 39 14.768 1.962 -2.133 310 HG SER 39 HG SER 39 17.501 2.549 -2.282 311 H GLN 40 H GLN 40 12.940 3.574 -3.114 312 HA GLN 40 HA GLN 40 13.781 3.993 -5.775 313 HB2 GLN 40 2HB GLN 40 11.031 3.850 -4.544 314 HB3 GLN 40 1HB GLN 40 11.283 4.040 -6.274 315 HG2 GLN 40 2HG GLN 40 12.563 1.922 -6.282 316 HG3 GLN 40 1HG GLN 40 12.186 1.723 -4.571 317 HE21 GLN 40 1HE2 GLN 40 9.492 2.788 -4.832 318 HE22 GLN 40 2HE2 GLN 40 8.568 1.561 -5.616 319 H LEU 41 H LEU 41 12.150 6.174 -3.488 320 HA LEU 41 HA LEU 41 11.550 8.187 -5.399 321 HB2 LEU 41 2HB LEU 41 11.850 8.367 -2.399 322 HB3 LEU 41 1HB LEU 41 11.229 9.663 -3.408 323 HG LEU 41 HG LEU 41 9.961 6.937 -3.048 324 HD11 LEU 41 1HD1 LEU 41 9.712 8.348 -1.078 325 HD12 LEU 41 2HD1 LEU 41 8.171 8.173 -1.916 326 HD13 LEU 41 3HD1 LEU 41 9.098 9.666 -2.079 327 HD21 LEU 41 3HD2 LEU 41 8.093 7.864 -4.354 328 HD22 LEU 41 1HD2 LEU 41 9.578 7.766 -5.299 329 HD23 LEU 41 2HD2 LEU 41 9.040 9.321 -4.662 330 H GLN 42 H GLN 42 14.507 7.443 -3.723 331 HA GLN 42 HA GLN 42 15.689 9.985 -3.662 332 HB2 GLN 42 2HB GLN 42 16.985 7.261 -3.823 333 HB3 GLN 42 1HB GLN 42 17.882 8.755 -3.572 334 HG2 GLN 42 2HG GLN 42 16.639 9.163 -1.511 335 HG3 GLN 42 1HG GLN 42 15.732 7.672 -1.761 336 HE21 GLN 42 1HE2 GLN 42 18.799 9.046 -0.895 337 HE22 GLN 42 2HE2 GLN 42 19.508 7.596 -0.291 338 HA PRO 43 HA PRO 43 17.713 9.231 -7.974 339 HB2 PRO 43 2HB PRO 43 16.909 7.155 -9.510 340 HB3 PRO 43 1HB PRO 43 18.184 6.993 -8.295 341 HG2 PRO 43 2HG PRO 43 15.280 6.256 -8.097 342 HG3 PRO 43 1HG PRO 43 16.705 5.325 -7.594 343 HD2 PRO 43 2HD PRO 43 15.206 6.767 -5.849 344 HD3 PRO 43 1HD PRO 43 16.952 6.525 -5.637 345 H ILE 44 H ILE 44 14.583 9.560 -7.147 346 HA ILE 44 HA ILE 44 13.738 10.408 -9.847 347 HB ILE 44 HB ILE 44 11.999 9.781 -7.446 348 HG12 ILE 44 2HG1 ILE 44 12.383 8.246 -10.038 349 HG13 ILE 44 1HG1 ILE 44 13.034 7.773 -8.472 350 HG21 ILE 44 1HG2 ILE 44 11.003 11.519 -8.831 351 HG22 ILE 44 2HG2 ILE 44 10.111 10.011 -9.016 352 HG23 ILE 44 3HG2 ILE 44 11.230 10.532 -10.276 353 HD11 ILE 44 3HD1 ILE 44 11.050 6.495 -9.030 354 HD12 ILE 44 1HD1 ILE 44 10.114 7.982 -9.183 355 HD13 ILE 44 2HD1 ILE 44 10.762 7.506 -7.613 356 H THR 45 H THR 45 13.043 11.355 -6.458 357 HA THR 45 HA THR 45 12.838 14.158 -7.335 358 HB THR 45 HB THR 45 11.681 14.520 -5.140 359 HG1 THR 45 HG1 THR 45 11.414 12.886 -3.770 360 HG21 THR 45 3HG2 THR 45 9.598 13.381 -5.776 361 HG22 THR 45 1HG2 THR 45 10.495 12.373 -6.911 362 HG23 THR 45 2HG2 THR 45 10.382 14.114 -7.175 363 H ASN 46 H ASN 46 15.176 12.239 -6.046 364 HA ASN 46 HA ASN 46 17.195 12.661 -5.068 365 HB2 ASN 46 2HB ASN 46 16.385 15.572 -5.305 366 HB3 ASN 46 1HB ASN 46 18.007 14.991 -4.950 367 HD21 ASN 46 1HD2 ASN 46 17.008 16.630 -7.154 368 HD22 ASN 46 2HD2 ASN 46 17.450 15.790 -8.599 369 H VAL 47 H VAL 47 14.721 12.349 -3.411 370 HA VAL 47 HA VAL 47 15.264 14.064 -1.098 371 HB VAL 47 HB VAL 47 12.938 13.882 -1.820 372 HG11 VAL 47 1HG1 VAL 47 12.936 11.658 -2.770 373 HG12 VAL 47 2HG1 VAL 47 11.679 11.783 -1.538 374 HG13 VAL 47 3HG1 VAL 47 13.188 10.942 -1.176 375 HG21 VAL 47 3HG2 VAL 47 13.418 12.576 0.865 376 HG22 VAL 47 1HG2 VAL 47 11.922 13.359 0.352 377 HG23 VAL 47 2HG2 VAL 47 13.396 14.311 0.540 378 H LEU 48 H LEU 48 16.180 13.378 0.752 379 HA LEU 48 HA LEU 48 17.286 10.698 0.847 380 HB2 LEU 48 2HB LEU 48 17.578 13.020 2.761 381 HB3 LEU 48 1HB LEU 48 18.485 11.521 2.845 382 HG LEU 48 HG LEU 48 18.633 13.557 0.610 383 HD11 LEU 48 1HD1 LEU 48 20.626 12.818 2.757 384 HD12 LEU 48 2HD1 LEU 48 19.718 14.327 2.647 385 HD13 LEU 48 3HD1 LEU 48 20.919 13.930 1.420 386 HD21 LEU 48 3HD2 LEU 48 20.122 10.953 0.990 387 HD22 LEU 48 1HD2 LEU 48 20.480 12.163 -0.242 388 HD23 LEU 48 2HD2 LEU 48 18.937 11.313 -0.266 389 HA PRO 49 HA PRO 49 14.322 8.608 3.398 390 HB2 PRO 49 2HB PRO 49 16.162 7.550 5.286 391 HB3 PRO 49 1HB PRO 49 15.540 6.758 3.838 392 HG2 PRO 49 2HG PRO 49 18.109 8.195 4.258 393 HG3 PRO 49 1HG PRO 49 17.745 6.827 3.193 394 HD2 PRO 49 2HD PRO 49 18.108 9.306 2.226 395 HD3 PRO 49 1HD PRO 49 16.914 8.201 1.510 396 H ARG 50 H ARG 50 16.828 10.422 5.220 397 HA ARG 50 HA ARG 50 15.532 10.804 7.628 398 HB2 ARG 50 2HB ARG 50 17.762 11.620 7.377 399 HB3 ARG 50 1HB ARG 50 17.302 12.682 6.055 400 HG2 ARG 50 2HG ARG 50 16.025 14.081 7.595 401 HG3 ARG 50 1HG ARG 50 16.420 12.995 8.926 402 HD2 ARG 50 2HD ARG 50 18.483 14.486 7.297 403 HD3 ARG 50 1HD ARG 50 17.809 15.084 8.814 404 HE ARG 50 HE ARG 50 18.914 12.446 9.035 405 HH11 ARG 50 1HH1 ARG 50 19.716 15.799 9.047 406 HH12 ARG 50 2HH1 ARG 50 21.099 15.576 10.056 407 HH21 ARG 50 1HH2 ARG 50 20.701 12.178 10.313 408 HH22 ARG 50 2HH2 ARG 50 21.656 13.553 10.749 409 H GLY 51 H GLY 51 14.987 12.554 4.595 410 HA2 GLY 51 2HA GLY 51 13.041 14.329 5.857 411 HA3 GLY 51 1HA GLY 51 13.590 14.397 4.191 412 H GLN 52 H GLN 52 12.899 11.249 4.602 413 HA GLN 52 HA GLN 52 10.275 11.567 3.353 414 HB2 GLN 52 2HB GLN 52 12.203 9.246 3.482 415 HB3 GLN 52 1HB GLN 52 10.577 9.091 2.828 416 HG2 GLN 52 2HG GLN 52 11.085 10.785 1.141 417 HG3 GLN 52 1HG GLN 52 12.707 10.967 1.807 418 HE21 GLN 52 1HE2 GLN 52 14.257 9.435 1.320 419 HE22 GLN 52 2HE2 GLN 52 14.012 8.183 0.159 420 H LYS 53 H LYS 53 9.100 12.065 5.262 421 HA LYS 53 HA LYS 53 8.694 9.909 7.198 422 HB2 LYS 53 2HB LYS 53 7.467 12.672 6.988 423 HB3 LYS 53 1HB LYS 53 7.115 11.523 8.272 424 HG2 LYS 53 2HG LYS 53 9.370 11.632 9.078 425 HG3 LYS 53 1HG LYS 53 9.870 12.602 7.690 426 HD2 LYS 53 2HD LYS 53 9.589 14.019 9.647 427 HD3 LYS 53 1HD LYS 53 8.370 14.410 8.435 428 HE2 LYS 53 2HE LYS 53 7.346 14.375 10.627 429 HE3 LYS 53 1HE LYS 53 6.735 13.022 9.676 430 HZ1 LYS 53 3HZ LYS 53 8.236 11.553 10.843 431 HZ2 LYS 53 1HZ LYS 53 7.274 12.386 11.951 432 HZ3 LYS 53 2HZ LYS 53 8.883 12.843 11.719 433 H LEU 54 H LEU 54 7.705 8.295 5.968 434 HA LEU 54 HA LEU 54 5.415 8.814 4.303 435 HB2 LEU 54 2HB LEU 54 6.678 6.240 5.258 436 HB3 LEU 54 1HB LEU 54 5.320 6.305 4.147 437 HG LEU 54 HG LEU 54 8.036 7.523 3.596 438 HD11 LEU 54 1HD1 LEU 54 6.838 4.954 2.555 439 HD12 LEU 54 2HD1 LEU 54 8.163 5.083 3.714 440 HD13 LEU 54 3HD1 LEU 54 8.378 5.661 2.063 441 HD21 LEU 54 3HD2 LEU 54 5.631 7.107 1.810 442 HD22 LEU 54 1HD2 LEU 54 7.207 7.711 1.290 443 HD23 LEU 54 2HD2 LEU 54 6.228 8.652 2.413 444 H ILE 55 H ILE 55 3.562 9.410 5.239 445 HA ILE 55 HA ILE 55 2.573 7.865 7.559 446 HB ILE 55 HB ILE 55 1.997 10.770 6.906 447 HG12 ILE 55 2HG1 ILE 55 3.666 9.566 9.138 448 HG13 ILE 55 1HG1 ILE 55 4.312 10.378 7.716 449 HG21 ILE 55 1HG2 ILE 55 1.154 9.068 9.256 450 HG22 ILE 55 2HG2 ILE 55 0.102 9.696 7.988 451 HG23 ILE 55 3HG2 ILE 55 0.887 10.804 9.111 452 HD11 ILE 55 3HD1 ILE 55 3.235 12.456 8.421 453 HD12 ILE 55 1HD1 ILE 55 4.348 11.838 9.642 454 HD13 ILE 55 2HD1 ILE 55 2.609 11.639 9.854 455 H PHE 56 H PHE 56 0.569 6.967 7.402 456 HA PHE 56 HA PHE 56 -1.217 7.793 5.210 457 HB2 PHE 56 2HB PHE 56 0.035 5.787 4.480 458 HB3 PHE 56 1HB PHE 56 -0.526 4.919 5.902 459 HD1 PHE 56 HD1 PHE 56 -1.953 6.863 3.038 460 HD2 PHE 56 HD2 PHE 56 -2.309 3.487 5.618 461 HE1 PHE 56 HE1 PHE 56 -3.921 6.101 1.772 462 HE2 PHE 56 HE2 PHE 56 -4.278 2.726 4.357 463 HZ PHE 56 HZ PHE 56 -5.086 4.030 2.431 464 H LYS 57 H LYS 57 -3.215 8.199 5.925 465 HA LYS 57 HA LYS 57 -5.056 8.359 7.246 466 HB2 LYS 57 2HB LYS 57 -4.310 5.517 7.982 467 HB3 LYS 57 1HB LYS 57 -5.862 6.271 8.322 468 HG2 LYS 57 2HG LYS 57 -4.714 5.777 5.576 469 HG3 LYS 57 1HG LYS 57 -5.962 4.811 6.365 470 HD2 LYS 57 2HD LYS 57 -7.424 6.806 6.436 471 HD3 LYS 57 1HD LYS 57 -6.179 7.728 5.590 472 HE2 LYS 57 2HE LYS 57 -6.358 6.214 3.672 473 HE3 LYS 57 1HE LYS 57 -7.586 5.276 4.519 474 HZ1 LYS 57 3HZ LYS 57 -7.844 8.129 3.743 475 HZ2 LYS 57 1HZ LYS 57 -9.030 7.198 4.505 476 HZ3 LYS 57 2HZ LYS 57 -8.549 6.829 2.929 477 H GLY 58 H GLY 58 -2.333 8.985 8.431 478 HA2 GLY 58 2HA GLY 58 -1.935 10.161 10.439 479 HA3 GLY 58 1HA GLY 58 -3.285 9.321 11.181 480 H LYS 59 H LYS 59 -1.201 7.210 9.527 481 HA LYS 59 HA LYS 59 0.257 6.562 12.017 482 HB2 LYS 59 2HB LYS 59 -1.440 4.868 11.566 483 HB3 LYS 59 1HB LYS 59 -0.835 4.661 9.927 484 HG2 LYS 59 2HG LYS 59 1.328 3.882 10.882 485 HG3 LYS 59 1HG LYS 59 0.600 3.964 12.487 486 HD2 LYS 59 2HD LYS 59 -1.091 2.324 11.805 487 HD3 LYS 59 1HD LYS 59 -0.381 2.257 10.190 488 HE2 LYS 59 2HE LYS 59 0.384 0.362 11.476 489 HE3 LYS 59 1HE LYS 59 1.737 1.456 11.191 490 HZ1 LYS 59 3HZ LYS 59 1.708 0.654 13.467 491 HZ2 LYS 59 1HZ LYS 59 0.154 1.283 13.699 492 HZ3 LYS 59 2HZ LYS 59 1.462 2.324 13.428 493 H VAL 60 H VAL 60 2.439 6.528 11.865 494 HA VAL 60 HA VAL 60 3.791 6.879 9.351 495 HB VAL 60 HB VAL 60 4.950 6.179 12.067 496 HG11 VAL 60 1HG1 VAL 60 6.294 7.267 9.586 497 HG12 VAL 60 2HG1 VAL 60 6.487 5.644 10.247 498 HG13 VAL 60 3HG1 VAL 60 7.066 7.039 11.155 499 HG21 VAL 60 3HG2 VAL 60 3.698 8.300 12.084 500 HG22 VAL 60 1HG2 VAL 60 4.671 8.879 10.732 501 HG23 VAL 60 2HG2 VAL 60 5.430 8.559 12.292 502 H LEU 61 H LEU 61 4.559 5.333 8.004 503 HA LEU 61 HA LEU 61 3.806 2.607 8.515 504 HB2 LEU 61 2HB LEU 61 5.162 3.943 6.183 505 HB3 LEU 61 1HB LEU 61 4.878 2.217 6.234 506 HG LEU 61 HG LEU 61 3.158 3.224 4.910 507 HD11 LEU 61 1HD1 LEU 61 1.145 2.521 6.086 508 HD12 LEU 61 2HD1 LEU 61 2.032 2.497 7.611 509 HD13 LEU 61 3HD1 LEU 61 2.459 1.368 6.325 510 HD21 LEU 61 3HD2 LEU 61 1.645 4.935 5.747 511 HD22 LEU 61 1HD2 LEU 61 3.315 5.507 5.771 512 HD23 LEU 61 2HD2 LEU 61 2.534 4.998 7.269 513 H VAL 62 H VAL 62 4.976 1.037 9.371 514 HA VAL 62 HA VAL 62 7.673 1.308 10.199 515 HB VAL 62 HB VAL 62 6.028 -1.216 9.852 516 HG11 VAL 62 1HG1 VAL 62 8.561 -0.753 11.436 517 HG12 VAL 62 2HG1 VAL 62 8.403 -1.737 9.981 518 HG13 VAL 62 3HG1 VAL 62 7.591 -2.226 11.468 519 HG21 VAL 62 3HG2 VAL 62 5.592 -1.007 12.268 520 HG22 VAL 62 1HG2 VAL 62 4.952 0.361 11.359 521 HG23 VAL 62 2HG2 VAL 62 6.445 0.537 12.279 522 H GLU 63 H GLU 63 9.577 0.755 9.226 523 HA GLU 63 HA GLU 63 9.784 0.764 6.466 524 HB2 GLU 63 2HB GLU 63 11.779 -0.296 8.475 525 HB3 GLU 63 1HB GLU 63 12.146 0.065 6.794 526 HG2 GLU 63 2HG GLU 63 11.412 2.430 7.253 527 HG3 GLU 63 1HG GLU 63 11.361 1.996 8.962 528 H THR 64 H THR 64 9.588 -2.047 8.588 529 HA THR 64 HA THR 64 10.279 -3.900 6.467 530 HB THR 64 HB THR 64 9.871 -5.666 8.160 531 HG1 THR 64 HG1 THR 64 9.071 -5.183 10.120 532 HG21 THR 64 3HG2 THR 64 11.593 -3.383 9.150 533 HG22 THR 64 1HG2 THR 64 12.087 -4.626 8.001 534 HG23 THR 64 2HG2 THR 64 11.712 -5.065 9.666 535 H SER 65 H SER 65 7.533 -2.223 6.908 536 HA SER 65 HA SER 65 5.766 -4.475 6.174 537 HB2 SER 65 2HB SER 65 5.008 -3.101 8.096 538 HB3 SER 65 1HB SER 65 4.981 -1.678 7.054 539 HG SER 65 HG SER 65 2.996 -2.293 6.677 540 H THR 66 H THR 66 4.641 -4.479 4.251 541 HA THR 66 HA THR 66 5.532 -2.561 2.212 542 HB THR 66 HB THR 66 4.749 -4.066 0.550 543 HG1 THR 66 HG1 THR 66 3.485 -5.948 1.165 544 HG21 THR 66 3HG2 THR 66 5.858 -5.731 2.821 545 HG22 THR 66 1HG2 THR 66 6.803 -4.834 1.631 546 HG23 THR 66 2HG2 THR 66 5.820 -6.206 1.122 547 H LEU 67 H LEU 67 3.767 -1.975 0.538 548 HA LEU 67 HA LEU 67 1.732 -0.480 1.766 549 HB2 LEU 67 2HB LEU 67 1.977 -1.443 -1.092 550 HB3 LEU 67 1HB LEU 67 0.746 -0.322 -0.550 551 HG LEU 67 HG LEU 67 2.440 0.965 -1.602 552 HD11 LEU 67 1HD1 LEU 67 3.213 2.435 0.175 553 HD12 LEU 67 2HD1 LEU 67 2.822 1.205 1.378 554 HD13 LEU 67 3HD1 LEU 67 1.536 1.952 0.429 555 HD21 LEU 67 3HD2 LEU 67 4.237 -0.709 -1.525 556 HD22 LEU 67 1HD2 LEU 67 4.482 -0.352 0.186 557 HD23 LEU 67 2HD2 LEU 67 4.790 0.890 -1.029 558 H LYS 68 H LYS 68 1.524 -3.549 -0.027 559 HA LYS 68 HA LYS 68 -1.236 -3.946 0.371 560 HB2 LYS 68 2HB LYS 68 -0.005 -5.064 -1.403 561 HB3 LYS 68 1HB LYS 68 0.961 -5.938 -0.222 562 HG2 LYS 68 2HG LYS 68 -0.963 -7.182 0.511 563 HG3 LYS 68 1HG LYS 68 -2.026 -6.222 -0.519 564 HD2 LYS 68 2HD LYS 68 -1.065 -7.146 -2.504 565 HD3 LYS 68 1HD LYS 68 0.245 -7.902 -1.591 566 HE2 LYS 68 2HE LYS 68 -2.688 -8.608 -1.406 567 HE3 LYS 68 1HE LYS 68 -1.443 -9.548 -2.232 568 HZ1 LYS 68 3HZ LYS 68 -1.870 -10.461 -0.058 569 HZ2 LYS 68 1HZ LYS 68 -1.553 -8.972 0.679 570 HZ3 LYS 68 2HZ LYS 68 -0.310 -9.814 -0.098 571 H GLN 69 H GLN 69 1.570 -4.926 2.318 572 HA GLN 69 HA GLN 69 0.075 -6.523 4.158 573 HB2 GLN 69 2HB GLN 69 2.753 -5.141 4.462 574 HB3 GLN 69 1HB GLN 69 2.071 -6.242 5.653 575 HG2 GLN 69 2HG GLN 69 2.075 -8.040 3.994 576 HG3 GLN 69 1HG GLN 69 2.764 -6.936 2.804 577 HE21 GLN 69 1HE2 GLN 69 3.837 -9.426 3.844 578 HE22 GLN 69 2HE2 GLN 69 5.374 -9.037 4.524 579 H SER 70 H SER 70 0.656 -3.106 3.855 580 HA SER 70 HA SER 70 -0.531 -2.505 6.459 581 HB2 SER 70 2HB SER 70 0.368 -0.619 4.256 582 HB3 SER 70 1HB SER 70 -0.090 -0.158 5.897 583 HG SER 70 HG SER 70 2.249 -1.315 4.954 584 H ASP 71 H ASP 71 -1.892 -3.692 3.917 585 HA ASP 71 HA ASP 71 -4.000 -3.804 3.110 586 HB2 ASP 71 2HB ASP 71 -4.680 -1.798 5.277 587 HB3 ASP 71 1HB ASP 71 -5.834 -2.769 4.366 588 H VAL 72 H VAL 72 -2.052 -1.546 2.350 589 HA VAL 72 HA VAL 72 -3.805 0.516 1.311 590 HB VAL 72 HB VAL 72 -0.847 0.069 0.813 591 HG11 VAL 72 1HG1 VAL 72 -0.843 2.440 0.121 592 HG12 VAL 72 2HG1 VAL 72 -2.596 2.477 0.287 593 HG13 VAL 72 3HG1 VAL 72 -1.849 1.440 -0.925 594 HG21 VAL 72 3HG2 VAL 72 -1.307 0.436 3.185 595 HG22 VAL 72 1HG2 VAL 72 -2.232 1.889 2.794 596 HG23 VAL 72 2HG2 VAL 72 -0.495 1.839 2.484 597 H GLY 73 H GLY 73 -5.044 0.043 -0.404 598 HA2 GLY 73 2HA GLY 73 -3.988 -1.714 -2.525 599 HA3 GLY 73 1HA GLY 73 -5.682 -1.347 -2.248 600 H SER 74 H SER 74 -5.330 -1.066 -4.710 601 HA SER 74 HA SER 74 -3.987 1.278 -5.635 602 HB2 SER 74 2HB SER 74 -5.124 0.816 -7.792 603 HB3 SER 74 1HB SER 74 -4.340 -0.615 -7.132 604 HG SER 74 HG SER 74 -6.944 -0.211 -7.716 605 H GLY 75 H GLY 75 -4.649 3.326 -5.649 606 HA2 GLY 75 2HA GLY 75 -6.394 4.967 -6.110 607 HA3 GLY 75 1HA GLY 75 -7.533 3.903 -5.299 608 H ALA 76 H ALA 76 -4.956 3.595 -3.409 609 HA ALA 76 HA ALA 76 -5.875 5.533 -1.463 610 HB1 ALA 76 3HB ALA 76 -5.255 3.243 -0.791 611 HB2 ALA 76 1HB ALA 76 -4.312 4.468 0.058 612 HB3 ALA 76 2HB ALA 76 -3.592 3.567 -1.273 613 H LYS 77 H LYS 77 -4.487 7.110 -0.434 614 HA LYS 77 HA LYS 77 -2.297 8.060 -2.170 615 HB2 LYS 77 2HB LYS 77 -4.388 9.813 -0.846 616 HB3 LYS 77 1HB LYS 77 -3.100 10.344 -1.928 617 HG2 LYS 77 2HG LYS 77 -4.083 9.039 -3.752 618 HG3 LYS 77 1HG LYS 77 -5.363 8.491 -2.675 619 HD2 LYS 77 2HD LYS 77 -6.082 10.866 -2.413 620 HD3 LYS 77 1HD LYS 77 -4.868 11.322 -3.614 621 HE2 LYS 77 2HE LYS 77 -5.953 9.757 -5.221 622 HE3 LYS 77 1HE LYS 77 -7.215 9.463 -4.030 623 HZ1 LYS 77 3HZ LYS 77 -7.740 11.846 -4.115 624 HZ2 LYS 77 1HZ LYS 77 -7.952 11.078 -5.606 625 HZ3 LYS 77 2HZ LYS 77 -6.591 12.047 -5.340 626 H LEU 78 H LEU 78 -0.450 8.528 -1.165 627 HA LEU 78 HA LEU 78 -0.333 8.063 1.718 628 HB2 LEU 78 2HB LEU 78 1.896 8.256 -0.317 629 HB3 LEU 78 1HB LEU 78 2.076 7.766 1.357 630 HG LEU 78 HG LEU 78 0.534 6.248 -0.763 631 HD11 LEU 78 1HD1 LEU 78 3.186 5.653 0.555 632 HD12 LEU 78 2HD1 LEU 78 2.936 6.133 -1.123 633 HD13 LEU 78 3HD1 LEU 78 2.321 4.583 -0.551 634 HD21 LEU 78 3HD2 LEU 78 0.364 4.477 0.937 635 HD22 LEU 78 1HD2 LEU 78 -0.471 5.950 1.435 636 HD23 LEU 78 2HD2 LEU 78 1.103 5.552 2.125 637 H MET 79 H MET 79 0.202 9.555 3.200 638 HA MET 79 HA MET 79 0.631 12.306 2.309 639 HB2 MET 79 2HB MET 79 -1.104 11.856 4.001 640 HB3 MET 79 1HB MET 79 0.115 11.193 5.079 641 HG2 MET 79 2HG MET 79 1.188 13.358 5.251 642 HG3 MET 79 1HG MET 79 0.048 14.039 4.092 643 HE1 MET 79 3HE MET 79 -3.331 13.812 6.096 644 HE2 MET 79 1HE MET 79 -2.675 12.578 5.021 645 HE3 MET 79 2HE MET 79 -2.576 14.283 4.574 646 H LEU 80 H LEU 80 2.774 12.377 1.673 647 HA LEU 80 HA LEU 80 4.852 11.538 3.545 648 HB2 LEU 80 2HB LEU 80 5.077 10.954 1.173 649 HB3 LEU 80 1HB LEU 80 5.049 12.654 0.740 650 HG LEU 80 HG LEU 80 7.186 13.022 1.831 651 HD11 LEU 80 1HD1 LEU 80 8.460 11.160 2.790 652 HD12 LEU 80 2HD1 LEU 80 7.071 10.097 2.565 653 HD13 LEU 80 3HD1 LEU 80 6.968 11.459 3.680 654 HD21 LEU 80 3HD2 LEU 80 7.203 12.260 -0.491 655 HD22 LEU 80 1HD2 LEU 80 7.242 10.582 0.049 656 HD23 LEU 80 2HD2 LEU 80 8.606 11.651 0.385 657 H MET 81 H MET 81 5.615 12.922 5.023 658 HA MET 81 HA MET 81 5.293 15.787 4.669 659 HB2 MET 81 2HB MET 81 4.951 14.755 6.886 660 HB3 MET 81 1HB MET 81 6.636 14.255 6.911 661 HG2 MET 81 2HG MET 81 7.335 16.597 6.872 662 HG3 MET 81 1HG MET 81 5.645 17.102 6.845 663 HE1 MET 81 3HE MET 81 7.817 18.128 8.995 664 HE2 MET 81 1HE MET 81 6.839 18.087 10.462 665 HE3 MET 81 2HE MET 81 6.139 18.673 8.953 666 H ALA 82 H ALA 82 6.612 15.845 2.726 667 HA ALA 82 HA ALA 82 9.447 16.312 3.365 668 HB1 ALA 82 3HB ALA 82 8.471 14.859 0.894 669 HB2 ALA 82 1HB ALA 82 9.304 14.120 2.262 670 HB3 ALA 82 2HB ALA 82 10.144 15.294 1.247 671 H SER 83 H SER 83 10.345 18.094 2.346 672 HA SER 83 HA SER 83 8.417 19.956 1.205 673 HB2 SER 83 2HB SER 83 10.267 21.614 1.441 674 HB3 SER 83 1HB SER 83 9.899 20.783 2.952 675 HG SER 83 HG SER 83 12.169 20.927 2.492 676 H GLN 84 H GLN 84 11.776 19.148 0.317 677 HA GLN 84 HA GLN 84 11.432 20.089 -2.368 678 HB2 GLN 84 2HB GLN 84 13.567 20.227 -1.057 679 HB3 GLN 84 1HB GLN 84 13.723 18.487 -1.196 680 HG2 GLN 84 2HG GLN 84 13.491 20.157 -3.668 681 HG3 GLN 84 1HG GLN 84 15.024 20.068 -2.809 682 HE21 GLN 84 1HE2 GLN 84 12.733 18.342 -4.758 683 HE22 GLN 84 2HE2 GLN 84 13.719 16.953 -5.040 684 H GLY 85 H GLY 85 10.387 18.982 -3.905 685 HA2 GLY 85 2HA GLY 85 11.112 16.227 -4.468 686 HA3 GLY 85 1HA GLY 85 9.445 16.439 -3.954 Start of MODEL 18 1 H1 MET 1 1H MET 1 -9.071 -19.769 -17.929 2 H2 MET 1 2H MET 1 -10.458 -20.539 -18.508 3 H3 MET 1 3H MET 1 -9.524 -19.591 -19.548 4 HA MET 1 HA MET 1 -8.640 -22.095 -18.236 5 HB2 MET 1 2HB MET 1 -9.419 -21.540 -21.111 6 HB3 MET 1 1HB MET 1 -8.668 -23.030 -20.554 7 HG2 MET 1 2HG MET 1 -10.601 -23.469 -19.125 8 HG3 MET 1 1HG MET 1 -11.354 -21.975 -19.685 9 HE1 MET 1 3HE MET 1 -12.748 -24.874 -19.802 10 HE2 MET 1 1HE MET 1 -13.500 -24.798 -21.394 11 HE3 MET 1 2HE MET 1 -13.537 -23.388 -20.335 12 H GLY 2 H GLY 2 -7.860 -20.260 -21.214 13 HA2 GLY 2 2HA GLY 2 -5.007 -20.600 -20.529 14 HA3 GLY 2 1HA GLY 2 -5.646 -20.437 -22.155 15 H HIS 3 H HIS 3 -4.876 -18.710 -19.184 16 HA HIS 3 HA HIS 3 -5.423 -16.108 -20.252 17 HB2 HIS 3 2HB HIS 3 -5.384 -16.646 -17.805 18 HB3 HIS 3 1HB HIS 3 -3.638 -16.839 -17.911 19 HD1 HIS 3 HD1 HIS 3 -2.416 -14.832 -17.173 20 HD2 HIS 3 HD2 HIS 3 -6.120 -13.846 -18.776 21 HE1 HIS 3 HE1 HIS 3 -2.603 -12.342 -16.949 22 HE2 HIS 3 HE2 HIS 3 -4.888 -11.779 -17.826 23 H HIS 4 H HIS 4 -4.361 -16.283 -22.278 24 HA HIS 4 HA HIS 4 -1.735 -16.932 -22.801 25 HB2 HIS 4 2HB HIS 4 -1.995 -15.466 -24.854 26 HB3 HIS 4 1HB HIS 4 -3.227 -16.700 -24.626 27 HD1 HIS 4 HD1 HIS 4 -2.743 -13.002 -24.716 28 HD2 HIS 4 HD2 HIS 4 -5.804 -15.725 -24.012 29 HE1 HIS 4 HE1 HIS 4 -4.863 -11.665 -24.790 30 HE2 HIS 4 HE2 HIS 4 -6.688 -13.309 -24.251 31 H HIS 5 H HIS 5 0.202 -15.843 -23.047 32 HA HIS 5 HA HIS 5 0.426 -13.035 -22.321 33 HB2 HIS 5 2HB HIS 5 2.047 -13.438 -20.506 34 HB3 HIS 5 1HB HIS 5 0.469 -14.120 -20.125 35 HD1 HIS 5 HD1 HIS 5 3.970 -15.140 -21.041 36 HD2 HIS 5 HD2 HIS 5 0.411 -16.885 -19.809 37 HE1 HIS 5 HE1 HIS 5 4.549 -17.512 -20.475 38 HE2 HIS 5 HE2 HIS 5 2.433 -18.469 -19.520 39 H HIS 6 H HIS 6 2.376 -12.074 -22.964 40 HA HIS 6 HA HIS 6 4.122 -13.714 -24.676 41 HB2 HIS 6 2HB HIS 6 3.976 -10.696 -24.420 42 HB3 HIS 6 1HB HIS 6 4.922 -11.594 -25.603 43 HD1 HIS 6 HD1 HIS 6 3.527 -12.902 -27.454 44 HD2 HIS 6 HD2 HIS 6 1.356 -10.243 -25.114 45 HE1 HIS 6 HE1 HIS 6 1.363 -12.540 -28.677 46 HE2 HIS 6 HE2 HIS 6 0.040 -10.978 -27.213 47 H HIS 7 H HIS 7 4.058 -11.980 -21.685 48 HA HIS 7 HA HIS 7 6.547 -13.111 -20.830 49 HB2 HIS 7 2HB HIS 7 7.789 -11.045 -20.453 50 HB3 HIS 7 1HB HIS 7 7.385 -11.175 -22.161 51 HD1 HIS 7 HD1 HIS 7 7.009 -8.997 -19.235 52 HD2 HIS 7 HD2 HIS 7 5.260 -9.384 -22.986 53 HE1 HIS 7 HE1 HIS 7 5.777 -6.847 -19.629 54 HE2 HIS 7 HE2 HIS 7 4.610 -7.164 -21.831 55 H HIS 8 H HIS 8 7.058 -12.395 -18.516 56 HA HIS 8 HA HIS 8 4.615 -12.049 -17.008 57 HB2 HIS 8 2HB HIS 8 5.994 -12.282 -15.018 58 HB3 HIS 8 1HB HIS 8 6.431 -13.523 -16.183 59 HD1 HIS 8 HD1 HIS 8 8.814 -13.455 -17.147 60 HD2 HIS 8 HD2 HIS 8 7.997 -10.361 -14.498 61 HE1 HIS 8 HE1 HIS 8 11.035 -12.415 -16.626 62 HE2 HIS 8 HE2 HIS 8 10.507 -10.474 -15.119 63 H SER 9 H SER 9 3.853 -10.217 -16.074 64 HA SER 9 HA SER 9 5.373 -7.727 -16.520 65 HB2 SER 9 2HB SER 9 3.167 -6.582 -16.355 66 HB3 SER 9 1HB SER 9 3.228 -7.753 -17.670 67 HG SER 9 HG SER 9 1.587 -8.691 -16.781 68 H HIS 10 H HIS 10 4.623 -5.945 -14.870 69 HA HIS 10 HA HIS 10 5.089 -7.033 -12.188 70 HB2 HIS 10 2HB HIS 10 5.224 -4.204 -13.262 71 HB3 HIS 10 1HB HIS 10 5.485 -4.629 -11.573 72 HD1 HIS 10 HD1 HIS 10 7.017 -5.186 -14.992 73 HD2 HIS 10 HD2 HIS 10 8.019 -5.481 -10.969 74 HE1 HIS 10 HE1 HIS 10 9.491 -5.617 -14.941 75 HE2 HIS 10 HE2 HIS 10 10.079 -5.740 -12.501 76 H SER 11 H SER 11 3.428 -7.332 -10.836 77 HA SER 11 HA SER 11 0.831 -6.185 -11.238 78 HB2 SER 11 2HB SER 11 1.154 -8.366 -10.096 79 HB3 SER 11 1HB SER 11 1.966 -7.539 -8.768 80 HG SER 11 HG SER 11 -0.728 -7.129 -9.597 81 H THR 12 H THR 12 0.645 -4.006 -11.053 82 HA THR 12 HA THR 12 1.996 -2.663 -8.789 83 HB THR 12 HB THR 12 1.980 -0.596 -10.174 84 HG1 THR 12 HG1 THR 12 1.113 -0.579 -12.143 85 HG21 THR 12 3HG2 THR 12 3.352 -2.956 -11.476 86 HG22 THR 12 1HG2 THR 12 3.977 -2.020 -10.117 87 HG23 THR 12 2HG2 THR 12 3.783 -1.261 -11.697 88 H ILE 13 H ILE 13 0.898 -1.266 -7.521 89 HA ILE 13 HA ILE 13 -1.984 -0.917 -7.997 90 HB ILE 13 HB ILE 13 -2.070 -0.191 -5.593 91 HG12 ILE 13 2HG1 ILE 13 0.784 -1.232 -5.550 92 HG13 ILE 13 1HG1 ILE 13 0.298 0.446 -5.328 93 HG21 ILE 13 1HG2 ILE 13 -1.928 -2.466 -4.679 94 HG22 ILE 13 2HG2 ILE 13 -1.036 -2.983 -6.109 95 HG23 ILE 13 3HG2 ILE 13 -2.709 -2.446 -6.261 96 HD11 ILE 13 3HD1 ILE 13 -0.367 -1.851 -3.501 97 HD12 ILE 13 1HD1 ILE 13 -0.892 -0.180 -3.283 98 HD13 ILE 13 2HD1 ILE 13 0.822 -0.583 -3.211 99 H LYS 14 H LYS 14 -2.715 1.012 -8.625 100 HA LYS 14 HA LYS 14 -0.942 3.215 -9.029 101 HB2 LYS 14 2HB LYS 14 -3.945 2.980 -9.340 102 HB3 LYS 14 1HB LYS 14 -3.014 4.397 -9.814 103 HG2 LYS 14 2HG LYS 14 -1.769 3.082 -11.433 104 HG3 LYS 14 1HG LYS 14 -2.611 1.619 -10.925 105 HD2 LYS 14 2HD LYS 14 -3.994 4.044 -12.082 106 HD3 LYS 14 1HD LYS 14 -3.480 2.656 -13.042 107 HE2 LYS 14 2HE LYS 14 -5.396 2.527 -10.707 108 HE3 LYS 14 1HE LYS 14 -5.879 2.586 -12.401 109 HZ1 LYS 14 3HZ LYS 14 -5.853 0.324 -11.476 110 HZ2 LYS 14 1HZ LYS 14 -4.189 0.453 -11.210 111 HZ3 LYS 14 2HZ LYS 14 -4.799 0.492 -12.785 112 H LEU 15 H LEU 15 -0.156 4.106 -7.189 113 HA LEU 15 HA LEU 15 -2.021 4.955 -5.080 114 HB2 LEU 15 2HB LEU 15 1.001 4.844 -5.078 115 HB3 LEU 15 1HB LEU 15 -0.004 5.281 -3.707 116 HG LEU 15 HG LEU 15 0.100 2.565 -5.041 117 HD11 LEU 15 1HD1 LEU 15 2.096 3.071 -3.721 118 HD12 LEU 15 2HD1 LEU 15 1.118 1.823 -2.950 119 HD13 LEU 15 3HD1 LEU 15 1.083 3.475 -2.332 120 HD21 LEU 15 3HD2 LEU 15 -1.486 3.506 -2.648 121 HD22 LEU 15 1HD2 LEU 15 -1.353 1.836 -3.201 122 HD23 LEU 15 2HD2 LEU 15 -2.140 3.041 -4.220 123 H THR 16 H THR 16 -1.666 7.084 -4.082 124 HA THR 16 HA THR 16 -0.511 9.091 -5.933 125 HB THR 16 HB THR 16 -2.953 9.542 -4.189 126 HG1 THR 16 HG1 THR 16 -2.707 8.425 -6.677 127 HG21 THR 16 3HG2 THR 16 -3.194 11.607 -5.509 128 HG22 THR 16 1HG2 THR 16 -1.695 11.231 -6.361 129 HG23 THR 16 2HG2 THR 16 -1.666 11.576 -4.632 130 H VAL 17 H VAL 17 1.408 9.429 -4.875 131 HA VAL 17 HA VAL 17 1.390 9.902 -1.980 132 HB VAL 17 HB VAL 17 3.084 8.352 -2.778 133 HG11 VAL 17 1HG1 VAL 17 4.908 9.051 -4.257 134 HG12 VAL 17 2HG1 VAL 17 4.144 10.629 -4.454 135 HG13 VAL 17 3HG1 VAL 17 3.344 9.179 -5.061 136 HG21 VAL 17 3HG2 VAL 17 5.089 9.395 -1.805 137 HG22 VAL 17 1HG2 VAL 17 3.650 9.715 -0.840 138 HG23 VAL 17 2HG2 VAL 17 4.304 10.973 -1.888 139 H LYS 18 H LYS 18 1.469 11.901 -1.138 140 HA LYS 18 HA LYS 18 1.841 14.142 -2.995 141 HB2 LYS 18 2HB LYS 18 0.578 14.082 -0.249 142 HB3 LYS 18 1HB LYS 18 0.729 15.514 -1.257 143 HG2 LYS 18 2HG LYS 18 -0.626 14.289 -3.002 144 HG3 LYS 18 1HG LYS 18 -0.935 13.058 -1.775 145 HD2 LYS 18 2HD LYS 18 -2.779 14.657 -1.871 146 HD3 LYS 18 1HD LYS 18 -1.941 14.774 -0.323 147 HE2 LYS 18 2HE LYS 18 -0.705 16.737 -1.153 148 HE3 LYS 18 1HE LYS 18 -1.557 16.617 -2.690 149 HZ1 LYS 18 3HZ LYS 18 -2.520 18.286 -1.211 150 HZ2 LYS 18 1HZ LYS 18 -2.849 17.090 -0.059 151 HZ3 LYS 18 2HZ LYS 18 -3.625 17.055 -1.560 152 H PHE 19 H PHE 19 3.849 14.939 -3.067 153 HA PHE 19 HA PHE 19 5.540 15.189 -0.734 154 HB2 PHE 19 2HB PHE 19 5.735 16.048 -3.610 155 HB3 PHE 19 1HB PHE 19 6.800 16.789 -2.426 156 HD1 PHE 19 HD1 PHE 19 8.539 15.514 -1.340 157 HD2 PHE 19 HD2 PHE 19 5.994 13.707 -4.242 158 HE1 PHE 19 HE1 PHE 19 10.106 13.632 -1.534 159 HE2 PHE 19 HE2 PHE 19 7.562 11.815 -4.435 160 HZ PHE 19 HZ PHE 19 9.619 11.777 -3.078 161 H GLY 20 H GLY 20 4.215 16.347 0.718 162 HA2 GLY 20 2HA GLY 20 3.303 18.206 1.724 163 HA3 GLY 20 1HA GLY 20 4.268 19.176 0.620 164 H GLY 21 H GLY 21 3.290 20.138 -1.127 165 HA2 GLY 21 2HA GLY 21 0.369 19.885 -1.328 166 HA3 GLY 21 1HA GLY 21 1.355 21.152 -2.041 167 H LYS 22 H LYS 22 3.184 18.851 -3.006 168 HA LYS 22 HA LYS 22 1.968 18.665 -5.616 169 HB2 LYS 22 2HB LYS 22 4.616 17.853 -4.455 170 HB3 LYS 22 1HB LYS 22 4.134 17.250 -6.033 171 HG2 LYS 22 2HG LYS 22 4.290 20.178 -5.312 172 HG3 LYS 22 1HG LYS 22 5.572 19.271 -6.123 173 HD2 LYS 22 2HD LYS 22 4.000 18.725 -7.951 174 HD3 LYS 22 1HD LYS 22 2.756 19.691 -7.153 175 HE2 LYS 22 2HE LYS 22 4.118 21.694 -7.412 176 HE3 LYS 22 1HE LYS 22 5.416 20.742 -8.133 177 HZ1 LYS 22 3HZ LYS 22 3.955 20.187 -9.967 178 HZ2 LYS 22 1HZ LYS 22 4.085 21.864 -9.814 179 HZ3 LYS 22 2HZ LYS 22 2.691 21.079 -9.276 180 H SER 23 H SER 23 0.280 17.267 -5.745 181 HA SER 23 HA SER 23 0.358 14.639 -4.534 182 HB2 SER 23 2HB SER 23 -1.840 14.320 -5.689 183 HB3 SER 23 1HB SER 23 -1.791 15.756 -4.670 184 HG SER 23 HG SER 23 -2.295 15.575 -7.298 185 H ILE 24 H ILE 24 1.828 13.272 -5.413 186 HA ILE 24 HA ILE 24 2.173 13.180 -8.330 187 HB ILE 24 HB ILE 24 3.852 11.778 -6.239 188 HG12 ILE 24 2HG1 ILE 24 3.913 14.185 -5.796 189 HG13 ILE 24 1HG1 ILE 24 5.453 13.646 -6.455 190 HG21 ILE 24 1HG2 ILE 24 4.068 10.880 -8.494 191 HG22 ILE 24 2HG2 ILE 24 5.548 11.709 -8.011 192 HG23 ILE 24 3HG2 ILE 24 4.420 12.490 -9.118 193 HD11 ILE 24 3HD1 ILE 24 4.814 15.773 -7.394 194 HD12 ILE 24 1HD1 ILE 24 3.281 15.100 -7.950 195 HD13 ILE 24 2HD1 ILE 24 4.798 14.532 -8.650 196 HA PRO 25 HA PRO 25 -0.123 9.239 -8.193 197 HB2 PRO 25 2HB PRO 25 -0.158 9.419 -11.105 198 HB3 PRO 25 1HB PRO 25 -1.508 9.512 -9.973 199 HG2 PRO 25 2HG PRO 25 -0.639 11.645 -11.430 200 HG3 PRO 25 1HG PRO 25 -1.405 11.805 -9.838 201 HD2 PRO 25 2HD PRO 25 1.514 11.875 -10.553 202 HD3 PRO 25 1HD PRO 25 0.603 12.916 -9.434 203 H LEU 26 H LEU 26 1.236 7.554 -7.769 204 HA LEU 26 HA LEU 26 3.096 6.683 -9.888 205 HB2 LEU 26 2HB LEU 26 3.717 6.853 -6.934 206 HB3 LEU 26 1HB LEU 26 4.727 6.025 -8.104 207 HG LEU 26 HG LEU 26 4.125 8.993 -8.107 208 HD11 LEU 26 1HD1 LEU 26 6.439 9.282 -7.420 209 HD12 LEU 26 2HD1 LEU 26 6.661 7.533 -7.363 210 HD13 LEU 26 3HD1 LEU 26 5.556 8.320 -6.234 211 HD21 LEU 26 3HD2 LEU 26 4.491 8.151 -10.356 212 HD22 LEU 26 1HD2 LEU 26 5.977 7.352 -9.842 213 HD23 LEU 26 2HD2 LEU 26 5.871 9.114 -9.832 214 H SER 27 H SER 27 3.017 4.545 -10.350 215 HA SER 27 HA SER 27 1.385 2.823 -8.599 216 HB2 SER 27 2HB SER 27 1.118 1.365 -10.609 217 HB3 SER 27 1HB SER 27 0.477 2.990 -10.839 218 HG SER 27 HG SER 27 3.120 2.371 -11.623 219 H VAL 28 H VAL 28 2.617 1.702 -7.227 220 HA VAL 28 HA VAL 28 5.115 0.460 -8.226 221 HB VAL 28 HB VAL 28 5.907 0.406 -5.898 222 HG11 VAL 28 1HG1 VAL 28 6.500 2.325 -7.291 223 HG12 VAL 28 2HG1 VAL 28 6.306 2.810 -5.605 224 HG13 VAL 28 3HG1 VAL 28 5.036 3.167 -6.776 225 HG21 VAL 28 3HG2 VAL 28 4.694 1.641 -4.138 226 HG22 VAL 28 1HG2 VAL 28 3.769 0.264 -4.737 227 HG23 VAL 28 2HG2 VAL 28 3.353 1.898 -5.255 228 H SER 29 H SER 29 5.702 -1.586 -6.873 229 HA SER 29 HA SER 29 3.482 -3.422 -7.115 230 HB2 SER 29 2HB SER 29 5.768 -4.091 -7.796 231 HB3 SER 29 1HB SER 29 6.296 -3.957 -6.118 232 HG SER 29 HG SER 29 4.357 -5.747 -7.179 233 HA PRO 30 HA PRO 30 2.035 -2.945 -2.933 234 HB2 PRO 30 2HB PRO 30 0.562 -5.260 -2.788 235 HB3 PRO 30 1HB PRO 30 0.017 -3.793 -3.607 236 HG2 PRO 30 2HG PRO 30 1.295 -6.250 -4.763 237 HG3 PRO 30 1HG PRO 30 -0.102 -5.331 -5.359 238 HD2 PRO 30 2HD PRO 30 2.327 -5.028 -6.447 239 HD3 PRO 30 1HD PRO 30 1.230 -3.645 -6.249 240 H ASP 31 H ASP 31 3.974 -5.637 -3.973 241 HA ASP 31 HA ASP 31 4.239 -6.726 -1.285 242 HB2 ASP 31 2HB ASP 31 5.410 -7.559 -3.941 243 HB3 ASP 31 1HB ASP 31 5.804 -8.358 -2.421 244 H CYS 32 H CYS 32 5.632 -4.186 -2.902 245 HA CYS 32 HA CYS 32 8.298 -4.447 -1.791 246 HB2 CYS 32 2HB CYS 32 6.919 -2.145 -3.196 247 HB3 CYS 32 1HB CYS 32 8.586 -2.094 -2.632 248 HG CYS 32 HG CYS 32 9.046 -2.547 -5.205 249 H THR 33 H THR 33 9.161 -3.226 -0.094 250 HA THR 33 HA THR 33 7.269 -2.588 2.003 251 HB THR 33 HB THR 33 9.230 -2.255 3.434 252 HG1 THR 33 HG1 THR 33 10.953 -2.982 1.317 253 HG21 THR 33 3HG2 THR 33 9.482 -4.720 1.698 254 HG22 THR 33 1HG2 THR 33 8.427 -4.546 3.104 255 HG23 THR 33 2HG2 THR 33 10.179 -4.518 3.305 256 H VAL 34 H VAL 34 7.142 -0.584 3.138 257 HA VAL 34 HA VAL 34 7.357 1.783 1.589 258 HB VAL 34 HB VAL 34 6.798 3.008 3.616 259 HG11 VAL 34 1HG1 VAL 34 4.975 1.858 2.479 260 HG12 VAL 34 2HG1 VAL 34 4.705 1.853 4.224 261 HG13 VAL 34 3HG1 VAL 34 5.285 0.395 3.417 262 HG21 VAL 34 3HG2 VAL 34 6.602 1.856 5.790 263 HG22 VAL 34 1HG2 VAL 34 8.263 1.878 5.198 264 HG23 VAL 34 2HG2 VAL 34 7.301 0.405 5.071 265 H LYS 35 H LYS 35 9.678 0.003 3.305 266 HA LYS 35 HA LYS 35 11.621 2.047 3.759 267 HB2 LYS 35 2HB LYS 35 11.616 -0.264 4.783 268 HB3 LYS 35 1HB LYS 35 12.080 -0.900 3.213 269 HG2 LYS 35 2HG LYS 35 14.125 0.547 3.327 270 HG3 LYS 35 1HG LYS 35 13.675 0.935 4.989 271 HD2 LYS 35 2HD LYS 35 13.671 -1.539 5.463 272 HD3 LYS 35 1HD LYS 35 14.357 -1.780 3.856 273 HE2 LYS 35 2HE LYS 35 16.161 -1.788 5.418 274 HE3 LYS 35 1HE LYS 35 16.240 -0.272 4.520 275 HZ1 LYS 35 3HZ LYS 35 15.234 0.867 6.374 276 HZ2 LYS 35 1HZ LYS 35 16.595 0.020 6.912 277 HZ3 LYS 35 2HZ LYS 35 15.049 -0.582 7.222 278 H ASP 36 H ASP 36 11.297 -0.460 1.259 279 HA ASP 36 HA ASP 36 13.315 0.402 -0.470 280 HB2 ASP 36 2HB ASP 36 12.224 -1.813 -0.568 281 HB3 ASP 36 1HB ASP 36 10.747 -1.055 -1.154 282 H LEU 37 H LEU 37 9.922 1.397 -0.255 283 HA LEU 37 HA LEU 37 9.632 2.898 -2.552 284 HB2 LEU 37 2HB LEU 37 8.578 3.360 0.230 285 HB3 LEU 37 1HB LEU 37 8.171 4.438 -1.094 286 HG LEU 37 HG LEU 37 7.513 1.493 -0.909 287 HD11 LEU 37 1HD1 LEU 37 6.108 2.883 0.497 288 HD12 LEU 37 2HD1 LEU 37 5.190 2.301 -0.891 289 HD13 LEU 37 3HD1 LEU 37 5.778 3.964 -0.859 290 HD21 LEU 37 3HD2 LEU 37 6.980 3.467 -3.137 291 HD22 LEU 37 1HD2 LEU 37 6.303 1.839 -3.032 292 HD23 LEU 37 2HD2 LEU 37 8.044 2.061 -3.209 293 H LYS 38 H LYS 38 11.132 3.955 0.501 294 HA LYS 38 HA LYS 38 11.620 6.622 -0.338 295 HB2 LYS 38 2HB LYS 38 13.168 5.050 1.735 296 HB3 LYS 38 1HB LYS 38 13.071 6.802 1.594 297 HG2 LYS 38 2HG LYS 38 10.612 6.620 2.034 298 HG3 LYS 38 1HG LYS 38 10.862 4.905 2.374 299 HD2 LYS 38 2HD LYS 38 12.574 5.631 4.099 300 HD3 LYS 38 1HD LYS 38 11.984 7.278 3.865 301 HE2 LYS 38 2HE LYS 38 10.894 6.292 5.789 302 HE3 LYS 38 1HE LYS 38 9.711 6.507 4.499 303 HZ1 LYS 38 3HZ LYS 38 9.496 4.341 5.560 304 HZ2 LYS 38 1HZ LYS 38 11.096 3.964 5.163 305 HZ3 LYS 38 2HZ LYS 38 9.950 4.168 3.939 306 H SER 39 H SER 39 13.378 3.632 -0.726 307 HA SER 39 HA SER 39 15.800 4.793 -1.728 308 HB2 SER 39 2HB SER 39 15.860 2.546 -0.812 309 HB3 SER 39 1HB SER 39 14.671 1.991 -1.989 310 HG SER 39 HG SER 39 16.692 3.092 -3.328 311 H GLN 40 H GLN 40 12.770 3.751 -3.166 312 HA GLN 40 HA GLN 40 13.664 3.999 -5.889 313 HB2 GLN 40 2HB GLN 40 10.910 3.783 -4.664 314 HB3 GLN 40 1HB GLN 40 11.188 3.878 -6.399 315 HG2 GLN 40 2HG GLN 40 12.525 1.816 -6.279 316 HG3 GLN 40 1HG GLN 40 12.188 1.713 -4.552 317 HE21 GLN 40 1HE2 GLN 40 9.442 2.630 -4.817 318 HE22 GLN 40 2HE2 GLN 40 8.562 1.319 -5.510 319 H LEU 41 H LEU 41 11.797 6.064 -3.667 320 HA LEU 41 HA LEU 41 11.297 8.120 -5.575 321 HB2 LEU 41 2HB LEU 41 11.275 8.228 -2.556 322 HB3 LEU 41 1HB LEU 41 10.642 9.480 -3.611 323 HG LEU 41 HG LEU 41 9.579 6.656 -3.380 324 HD11 LEU 41 1HD1 LEU 41 9.069 8.018 -1.427 325 HD12 LEU 41 2HD1 LEU 41 7.615 7.708 -2.376 326 HD13 LEU 41 3HD1 LEU 41 8.407 9.283 -2.463 327 HD21 LEU 41 3HD2 LEU 41 9.332 7.509 -5.651 328 HD22 LEU 41 1HD2 LEU 41 8.585 8.982 -5.033 329 HD23 LEU 41 2HD2 LEU 41 7.769 7.430 -4.841 330 H GLN 42 H GLN 42 14.033 7.420 -3.535 331 HA GLN 42 HA GLN 42 15.092 9.954 -3.132 332 HB2 GLN 42 2HB GLN 42 15.904 7.780 -2.108 333 HB3 GLN 42 1HB GLN 42 16.795 7.500 -3.598 334 HG2 GLN 42 2HG GLN 42 17.995 9.645 -3.226 335 HG3 GLN 42 1HG GLN 42 17.163 9.799 -1.679 336 HE21 GLN 42 1HE2 GLN 42 19.676 8.222 -3.411 337 HE22 GLN 42 2HE2 GLN 42 20.355 7.363 -2.076 338 HA PRO 43 HA PRO 43 17.649 9.677 -7.242 339 HB2 PRO 43 2HB PRO 43 16.863 7.886 -9.138 340 HB3 PRO 43 1HB PRO 43 18.060 7.507 -7.896 341 HG2 PRO 43 2HG PRO 43 15.131 6.861 -7.956 342 HG3 PRO 43 1HG PRO 43 16.496 5.814 -7.519 343 HD2 PRO 43 2HD PRO 43 14.965 7.008 -5.647 344 HD3 PRO 43 1HD PRO 43 16.706 6.751 -5.408 345 H ILE 44 H ILE 44 14.177 9.186 -7.229 346 HA ILE 44 HA ILE 44 13.693 10.455 -9.767 347 HB ILE 44 HB ILE 44 11.761 9.800 -7.531 348 HG12 ILE 44 2HG1 ILE 44 12.428 8.293 -10.082 349 HG13 ILE 44 1HG1 ILE 44 12.900 7.816 -8.455 350 HG21 ILE 44 1HG2 ILE 44 10.876 11.539 -9.007 351 HG22 ILE 44 2HG2 ILE 44 10.004 10.022 -9.228 352 HG23 ILE 44 3HG2 ILE 44 11.208 10.528 -10.415 353 HD11 ILE 44 3HD1 ILE 44 11.007 6.519 -9.234 354 HD12 ILE 44 1HD1 ILE 44 10.079 7.994 -9.496 355 HD13 ILE 44 2HD1 ILE 44 10.547 7.524 -7.861 356 H THR 45 H THR 45 13.023 11.437 -6.385 357 HA THR 45 HA THR 45 12.522 14.191 -7.297 358 HB THR 45 HB THR 45 12.077 13.036 -4.528 359 HG1 THR 45 HG1 THR 45 10.166 12.362 -5.204 360 HG21 THR 45 3HG2 THR 45 10.555 14.952 -4.248 361 HG22 THR 45 1HG2 THR 45 11.007 15.540 -5.848 362 HG23 THR 45 2HG2 THR 45 12.209 15.481 -4.559 363 H ASN 46 H ASN 46 15.022 12.359 -5.967 364 HA ASN 46 HA ASN 46 17.017 12.790 -4.996 365 HB2 ASN 46 2HB ASN 46 16.478 15.666 -5.779 366 HB3 ASN 46 1HB ASN 46 18.031 15.025 -5.238 367 HD21 ASN 46 1HD2 ASN 46 15.751 15.171 -7.825 368 HD22 ASN 46 2HD2 ASN 46 16.752 14.439 -9.024 369 H VAL 47 H VAL 47 15.501 12.204 -3.158 370 HA VAL 47 HA VAL 47 15.983 14.097 -0.980 371 HB VAL 47 HB VAL 47 13.678 14.556 -1.620 372 HG11 VAL 47 1HG1 VAL 47 13.159 11.607 -1.216 373 HG12 VAL 47 2HG1 VAL 47 13.136 12.470 -2.753 374 HG13 VAL 47 3HG1 VAL 47 11.928 12.833 -1.520 375 HG21 VAL 47 3HG2 VAL 47 14.199 14.653 0.762 376 HG22 VAL 47 1HG2 VAL 47 13.806 12.942 0.935 377 HG23 VAL 47 2HG2 VAL 47 12.543 14.099 0.514 378 H LEU 48 H LEU 48 16.766 13.100 0.794 379 HA LEU 48 HA LEU 48 17.353 10.290 0.611 380 HB2 LEU 48 2HB LEU 48 18.006 12.371 2.701 381 HB3 LEU 48 1HB LEU 48 18.584 10.714 2.761 382 HG LEU 48 HG LEU 48 19.183 12.594 0.465 383 HD11 LEU 48 1HD1 LEU 48 20.916 11.929 2.851 384 HD12 LEU 48 2HD1 LEU 48 20.145 13.485 2.541 385 HD13 LEU 48 3HD1 LEU 48 21.397 12.890 1.451 386 HD21 LEU 48 3HD2 LEU 48 20.371 9.942 1.287 387 HD22 LEU 48 1HD2 LEU 48 20.963 10.965 -0.024 388 HD23 LEU 48 2HD2 LEU 48 19.355 10.250 -0.121 389 HA PRO 49 HA PRO 49 14.014 8.474 2.870 390 HB2 PRO 49 2HB PRO 49 15.485 6.617 4.372 391 HB3 PRO 49 1HB PRO 49 14.860 6.371 2.740 392 HG2 PRO 49 2HG PRO 49 17.597 7.174 3.620 393 HG3 PRO 49 1HG PRO 49 17.111 6.109 2.288 394 HD2 PRO 49 2HD PRO 49 17.931 8.613 1.827 395 HD3 PRO 49 1HD PRO 49 16.615 7.891 0.877 396 H ARG 50 H ARG 50 16.829 9.586 4.693 397 HA ARG 50 HA ARG 50 15.792 9.476 7.283 398 HB2 ARG 50 2HB ARG 50 18.151 9.968 6.741 399 HB3 ARG 50 1HB ARG 50 17.679 11.547 6.125 400 HG2 ARG 50 2HG ARG 50 16.949 12.227 8.339 401 HG3 ARG 50 1HG ARG 50 17.310 10.621 8.975 402 HD2 ARG 50 2HD ARG 50 19.682 10.939 8.461 403 HD3 ARG 50 1HD ARG 50 19.331 12.532 7.787 404 HE ARG 50 HE ARG 50 18.360 12.473 10.400 405 HH11 ARG 50 1HH1 ARG 50 21.427 12.305 8.817 406 HH12 ARG 50 2HH1 ARG 50 22.254 13.069 10.132 407 HH21 ARG 50 1HH2 ARG 50 19.434 13.436 12.060 408 HH22 ARG 50 2HH2 ARG 50 21.145 13.700 11.946 409 H GLY 51 H GLY 51 15.218 11.833 4.726 410 HA2 GLY 51 2HA GLY 51 13.598 13.496 6.544 411 HA3 GLY 51 1HA GLY 51 14.148 13.952 4.942 412 H GLN 52 H GLN 52 13.074 10.897 4.518 413 HA GLN 52 HA GLN 52 10.558 11.845 3.399 414 HB2 GLN 52 2HB GLN 52 12.066 9.244 3.129 415 HB3 GLN 52 1HB GLN 52 10.449 9.464 2.474 416 HG2 GLN 52 2HG GLN 52 11.260 11.308 1.083 417 HG3 GLN 52 1HG GLN 52 12.883 11.085 1.737 418 HE21 GLN 52 1HE2 GLN 52 14.118 9.371 1.017 419 HE22 GLN 52 2HE2 GLN 52 13.671 8.393 -0.331 420 H LYS 53 H LYS 53 9.308 12.182 5.253 421 HA LYS 53 HA LYS 53 8.685 9.955 7.014 422 HB2 LYS 53 2HB LYS 53 7.617 12.780 6.862 423 HB3 LYS 53 1HB LYS 53 7.058 11.595 8.036 424 HG2 LYS 53 2HG LYS 53 9.297 11.436 8.974 425 HG3 LYS 53 1HG LYS 53 9.898 12.582 7.773 426 HD2 LYS 53 2HD LYS 53 8.424 14.313 8.672 427 HD3 LYS 53 1HD LYS 53 7.780 13.172 9.853 428 HE2 LYS 53 2HE LYS 53 9.476 14.682 10.820 429 HE3 LYS 53 1HE LYS 53 9.953 12.985 10.910 430 HZ1 LYS 53 3HZ LYS 53 10.875 14.865 8.805 431 HZ2 LYS 53 1HZ LYS 53 11.420 13.286 9.071 432 HZ3 LYS 53 2HZ LYS 53 11.754 14.495 10.203 433 H LEU 54 H LEU 54 7.633 8.390 5.831 434 HA LEU 54 HA LEU 54 5.337 8.985 4.187 435 HB2 LEU 54 2HB LEU 54 6.514 6.384 5.175 436 HB3 LEU 54 1HB LEU 54 5.094 6.465 4.150 437 HG LEU 54 HG LEU 54 7.826 7.522 3.375 438 HD11 LEU 54 1HD1 LEU 54 6.436 4.979 2.519 439 HD12 LEU 54 2HD1 LEU 54 7.831 5.079 3.595 440 HD13 LEU 54 3HD1 LEU 54 7.980 5.581 1.911 441 HD21 LEU 54 3HD2 LEU 54 5.977 8.680 2.264 442 HD22 LEU 54 1HD2 LEU 54 5.302 7.132 1.750 443 HD23 LEU 54 2HD2 LEU 54 6.863 7.668 1.125 444 H ILE 55 H ILE 55 3.456 9.562 5.056 445 HA ILE 55 HA ILE 55 2.518 8.216 7.520 446 HB ILE 55 HB ILE 55 1.928 11.064 6.657 447 HG12 ILE 55 2HG1 ILE 55 3.664 10.040 8.928 448 HG13 ILE 55 1HG1 ILE 55 4.263 10.752 7.433 449 HG21 ILE 55 1HG2 ILE 55 0.860 11.290 8.857 450 HG22 ILE 55 2HG2 ILE 55 1.158 9.579 9.175 451 HG23 ILE 55 3HG2 ILE 55 0.068 10.058 7.872 452 HD11 ILE 55 3HD1 ILE 55 3.166 12.868 8.031 453 HD12 ILE 55 1HD1 ILE 55 4.356 12.354 9.226 454 HD13 ILE 55 2HD1 ILE 55 2.636 12.143 9.550 455 H PHE 56 H PHE 56 0.668 7.100 7.306 456 HA PHE 56 HA PHE 56 -1.120 7.725 5.034 457 HB2 PHE 56 2HB PHE 56 0.062 5.597 4.697 458 HB3 PHE 56 1HB PHE 56 -0.528 5.008 6.246 459 HD1 PHE 56 HD1 PHE 56 -1.969 6.551 3.156 460 HD2 PHE 56 HD2 PHE 56 -2.266 3.501 6.117 461 HE1 PHE 56 HE1 PHE 56 -3.948 5.640 2.013 462 HE2 PHE 56 HE2 PHE 56 -4.246 2.589 4.979 463 HZ PHE 56 HZ PHE 56 -5.090 3.657 2.924 464 H LYS 57 H LYS 57 -2.933 8.623 5.737 465 HA LYS 57 HA LYS 57 -4.838 9.065 6.891 466 HB2 LYS 57 2HB LYS 57 -4.489 6.209 7.829 467 HB3 LYS 57 1HB LYS 57 -5.940 7.167 8.083 468 HG2 LYS 57 2HG LYS 57 -4.795 6.365 5.408 469 HG3 LYS 57 1HG LYS 57 -6.190 5.634 6.206 470 HD2 LYS 57 2HD LYS 57 -7.346 7.829 6.116 471 HD3 LYS 57 1HD LYS 57 -5.966 8.490 5.235 472 HE2 LYS 57 2HE LYS 57 -7.725 7.894 3.679 473 HE3 LYS 57 1HE LYS 57 -6.342 6.825 3.447 474 HZ1 LYS 57 3HZ LYS 57 -8.375 5.572 3.405 475 HZ2 LYS 57 1HZ LYS 57 -8.841 6.177 4.913 476 HZ3 LYS 57 2HZ LYS 57 -7.504 5.151 4.789 477 H GLY 58 H GLY 58 -2.028 9.160 8.323 478 HA2 GLY 58 2HA GLY 58 -1.872 10.598 10.312 479 HA3 GLY 58 1HA GLY 58 -3.148 9.631 11.028 480 H LYS 59 H LYS 59 -1.615 7.214 9.755 481 HA LYS 59 HA LYS 59 0.187 6.857 12.056 482 HB2 LYS 59 2HB LYS 59 -1.527 5.136 11.780 483 HB3 LYS 59 1HB LYS 59 -0.977 4.815 10.141 484 HG2 LYS 59 2HG LYS 59 1.155 3.997 10.988 485 HG3 LYS 59 1HG LYS 59 0.667 4.388 12.637 486 HD2 LYS 59 2HD LYS 59 0.382 2.014 12.252 487 HD3 LYS 59 1HD LYS 59 -1.196 2.775 12.448 488 HE2 LYS 59 2HE LYS 59 -1.466 2.797 9.997 489 HE3 LYS 59 1HE LYS 59 0.097 2.001 9.826 490 HZ1 LYS 59 3HZ LYS 59 -1.676 0.397 9.685 491 HZ2 LYS 59 1HZ LYS 59 -2.303 0.886 11.178 492 HZ3 LYS 59 2HZ LYS 59 -0.795 0.125 11.101 493 H VAL 60 H VAL 60 2.351 6.756 11.832 494 HA VAL 60 HA VAL 60 3.581 7.053 9.236 495 HB VAL 60 HB VAL 60 4.903 6.576 11.924 496 HG11 VAL 60 1HG1 VAL 60 6.388 6.042 10.070 497 HG12 VAL 60 2HG1 VAL 60 6.909 7.534 10.854 498 HG13 VAL 60 3HG1 VAL 60 6.046 7.600 9.317 499 HG21 VAL 60 3HG2 VAL 60 4.332 9.173 10.483 500 HG22 VAL 60 1HG2 VAL 60 5.255 9.009 11.979 501 HG23 VAL 60 2HG2 VAL 60 3.540 8.603 11.950 502 H LEU 61 H LEU 61 4.590 5.501 8.016 503 HA LEU 61 HA LEU 61 3.869 2.768 8.648 504 HB2 LEU 61 2HB LEU 61 5.225 3.926 6.207 505 HB3 LEU 61 1HB LEU 61 4.709 2.260 6.367 506 HG LEU 61 HG LEU 61 3.035 3.263 5.073 507 HD11 LEU 61 1HD1 LEU 61 1.027 3.264 6.462 508 HD12 LEU 61 2HD1 LEU 61 2.024 3.347 7.915 509 HD13 LEU 61 3HD1 LEU 61 2.098 1.925 6.872 510 HD21 LEU 61 3HD2 LEU 61 1.944 5.388 5.602 511 HD22 LEU 61 1HD2 LEU 61 3.682 5.587 5.383 512 HD23 LEU 61 2HD2 LEU 61 2.994 5.582 7.005 513 H VAL 62 H VAL 62 5.135 1.259 9.493 514 HA VAL 62 HA VAL 62 7.887 1.664 10.121 515 HB VAL 62 HB VAL 62 6.515 0.256 11.546 516 HG11 VAL 62 1HG1 VAL 62 4.963 -0.640 9.913 517 HG12 VAL 62 2HG1 VAL 62 5.718 -1.958 10.812 518 HG13 VAL 62 3HG1 VAL 62 6.251 -1.590 9.170 519 HG21 VAL 62 3HG2 VAL 62 8.898 -0.234 11.496 520 HG22 VAL 62 1HG2 VAL 62 8.656 -1.369 10.165 521 HG23 VAL 62 2HG2 VAL 62 7.970 -1.711 11.753 522 H GLU 63 H GLU 63 9.742 0.864 9.129 523 HA GLU 63 HA GLU 63 9.765 0.787 6.349 524 HB2 GLU 63 2HB GLU 63 11.832 -0.345 8.247 525 HB3 GLU 63 1HB GLU 63 12.099 -0.013 6.541 526 HG2 GLU 63 2HG GLU 63 11.651 2.384 6.974 527 HG3 GLU 63 1HG GLU 63 11.495 2.014 8.693 528 H THR 64 H THR 64 9.592 -1.903 8.611 529 HA THR 64 HA THR 64 10.197 -3.955 6.724 530 HB THR 64 HB THR 64 9.461 -5.531 8.456 531 HG1 THR 64 HG1 THR 64 8.854 -4.334 10.547 532 HG21 THR 64 3HG2 THR 64 11.092 -3.228 9.547 533 HG22 THR 64 1HG2 THR 64 11.713 -4.614 8.649 534 HG23 THR 64 2HG2 THR 64 11.011 -4.841 10.252 535 H SER 65 H SER 65 7.368 -2.131 7.155 536 HA SER 65 HA SER 65 5.549 -4.279 6.352 537 HB2 SER 65 2HB SER 65 4.760 -2.709 8.059 538 HB3 SER 65 1HB SER 65 4.984 -1.359 6.948 539 HG SER 65 HG SER 65 3.326 -2.126 5.685 540 H THR 66 H THR 66 4.518 -4.437 4.397 541 HA THR 66 HA THR 66 5.507 -2.748 2.208 542 HB THR 66 HB THR 66 4.593 -4.360 0.678 543 HG1 THR 66 HG1 THR 66 3.263 -6.052 1.359 544 HG21 THR 66 3HG2 THR 66 5.792 -5.864 3.014 545 HG22 THR 66 1HG2 THR 66 6.704 -5.025 1.756 546 HG23 THR 66 2HG2 THR 66 5.715 -6.426 1.344 547 H LEU 67 H LEU 67 3.803 -2.190 0.486 548 HA LEU 67 HA LEU 67 1.872 -0.462 1.558 549 HB2 LEU 67 2HB LEU 67 2.063 -1.700 -1.195 550 HB3 LEU 67 1HB LEU 67 0.876 -0.484 -0.773 551 HG LEU 67 HG LEU 67 2.611 0.643 -1.917 552 HD11 LEU 67 1HD1 LEU 67 1.774 1.824 0.036 553 HD12 LEU 67 2HD1 LEU 67 3.469 2.206 -0.258 554 HD13 LEU 67 3HD1 LEU 67 3.030 1.092 1.038 555 HD21 LEU 67 3HD2 LEU 67 4.334 -1.095 -1.720 556 HD22 LEU 67 1HD2 LEU 67 4.605 -0.628 -0.040 557 HD23 LEU 67 2HD2 LEU 67 4.965 0.506 -1.341 558 H LYS 68 H LYS 68 1.400 -3.631 0.015 559 HA LYS 68 HA LYS 68 -1.366 -3.825 0.406 560 HB2 LYS 68 2HB LYS 68 -0.140 -5.230 -1.154 561 HB3 LYS 68 1HB LYS 68 0.726 -5.996 0.168 562 HG2 LYS 68 2HG LYS 68 -1.305 -7.041 0.952 563 HG3 LYS 68 1HG LYS 68 -2.259 -6.177 -0.259 564 HD2 LYS 68 2HD LYS 68 -1.785 -8.527 -0.905 565 HD3 LYS 68 1HD LYS 68 -1.123 -7.361 -2.052 566 HE2 LYS 68 2HE LYS 68 1.086 -7.603 -1.028 567 HE3 LYS 68 1HE LYS 68 0.426 -8.751 0.136 568 HZ1 LYS 68 3HZ LYS 68 -0.001 -10.301 -1.577 569 HZ2 LYS 68 1HZ LYS 68 1.582 -9.752 -1.810 570 HZ3 LYS 68 2HZ LYS 68 0.332 -9.173 -2.790 571 H GLN 69 H GLN 69 1.316 -4.766 2.534 572 HA GLN 69 HA GLN 69 -0.289 -6.085 4.474 573 HB2 GLN 69 2HB GLN 69 2.459 -4.849 4.633 574 HB3 GLN 69 1HB GLN 69 1.710 -5.681 5.990 575 HG2 GLN 69 2HG GLN 69 1.617 -7.740 4.733 576 HG3 GLN 69 1HG GLN 69 2.237 -6.929 3.297 577 HE21 GLN 69 1HE2 GLN 69 4.005 -8.315 3.181 578 HE22 GLN 69 2HE2 GLN 69 5.331 -8.226 4.280 579 H SER 70 H SER 70 0.727 -2.713 4.097 580 HA SER 70 HA SER 70 -0.526 -1.969 6.637 581 HB2 SER 70 2HB SER 70 1.671 -0.982 5.955 582 HB3 SER 70 1HB SER 70 0.847 -0.163 4.627 583 HG SER 70 HG SER 70 -0.527 0.788 6.308 584 H ASP 71 H ASP 71 -2.009 -2.831 4.089 585 HA ASP 71 HA ASP 71 -4.114 -2.507 3.310 586 HB2 ASP 71 2HB ASP 71 -4.243 -0.296 5.370 587 HB3 ASP 71 1HB ASP 71 -5.622 -0.932 4.476 588 H VAL 72 H VAL 72 -1.681 -0.661 2.539 589 HA VAL 72 HA VAL 72 -3.098 1.479 1.162 590 HB VAL 72 HB VAL 72 -0.168 0.723 0.984 591 HG11 VAL 72 1HG1 VAL 72 0.130 3.024 0.159 592 HG12 VAL 72 2HG1 VAL 72 -1.619 3.254 0.193 593 HG13 VAL 72 3HG1 VAL 72 -0.907 2.069 -0.904 594 HG21 VAL 72 3HG2 VAL 72 -0.788 1.279 3.286 595 HG22 VAL 72 1HG2 VAL 72 -1.500 2.796 2.735 596 HG23 VAL 72 2HG2 VAL 72 0.237 2.530 2.584 597 H GLY 73 H GLY 73 -4.363 0.579 -0.439 598 HA2 GLY 73 2HA GLY 73 -3.019 -1.201 -2.393 599 HA3 GLY 73 1HA GLY 73 -4.723 -1.295 -1.989 600 H SER 74 H SER 74 -4.752 -1.235 -4.434 601 HA SER 74 HA SER 74 -4.053 0.947 -5.989 602 HB2 SER 74 2HB SER 74 -5.801 0.191 -7.582 603 HB3 SER 74 1HB SER 74 -4.829 -1.150 -6.970 604 HG SER 74 HG SER 74 -7.469 -0.406 -6.225 605 H GLY 75 H GLY 75 -4.569 3.040 -5.741 606 HA2 GLY 75 2HA GLY 75 -6.254 4.748 -6.035 607 HA3 GLY 75 1HA GLY 75 -7.383 3.737 -5.149 608 H ALA 76 H ALA 76 -4.832 3.322 -3.285 609 HA ALA 76 HA ALA 76 -5.736 5.139 -1.288 610 HB1 ALA 76 3HB ALA 76 -4.811 2.937 -0.740 611 HB2 ALA 76 1HB ALA 76 -3.955 4.229 0.101 612 HB3 ALA 76 2HB ALA 76 -3.226 3.461 -1.309 613 H LYS 77 H LYS 77 -4.830 6.985 -0.442 614 HA LYS 77 HA LYS 77 -2.712 8.267 -2.049 615 HB2 LYS 77 2HB LYS 77 -4.856 9.511 -0.311 616 HB3 LYS 77 1HB LYS 77 -3.613 10.409 -1.175 617 HG2 LYS 77 2HG LYS 77 -4.498 9.608 -3.307 618 HG3 LYS 77 1HG LYS 77 -5.725 8.674 -2.457 619 HD2 LYS 77 2HD LYS 77 -5.487 11.659 -2.117 620 HD3 LYS 77 1HD LYS 77 -6.402 10.950 -3.445 621 HE2 LYS 77 2HE LYS 77 -7.871 11.505 -1.585 622 HE3 LYS 77 1HE LYS 77 -7.824 9.763 -1.839 623 HZ1 LYS 77 3HZ LYS 77 -6.354 9.533 0.024 624 HZ2 LYS 77 1HZ LYS 77 -7.715 10.402 0.512 625 HZ3 LYS 77 2HZ LYS 77 -6.257 11.206 0.229 626 H LEU 78 H LEU 78 -0.797 8.658 -1.147 627 HA LEU 78 HA LEU 78 -0.458 8.218 1.747 628 HB2 LEU 78 2HB LEU 78 1.550 8.128 -0.512 629 HB3 LEU 78 1HB LEU 78 1.942 7.875 1.178 630 HG LEU 78 HG LEU 78 0.086 6.119 -0.442 631 HD11 LEU 78 1HD1 LEU 78 2.939 5.639 0.430 632 HD12 LEU 78 2HD1 LEU 78 2.390 5.929 -1.222 633 HD13 LEU 78 3HD1 LEU 78 1.889 4.468 -0.372 634 HD21 LEU 78 3HD2 LEU 78 1.204 5.802 2.349 635 HD22 LEU 78 1HD2 LEU 78 0.260 4.591 1.479 636 HD23 LEU 78 2HD2 LEU 78 -0.476 6.128 1.926 637 H MET 79 H MET 79 0.314 9.798 3.068 638 HA MET 79 HA MET 79 0.930 12.416 1.891 639 HB2 MET 79 2HB MET 79 -0.766 12.361 3.669 640 HB3 MET 79 1HB MET 79 0.393 11.624 4.768 641 HG2 MET 79 2HG MET 79 1.783 13.650 4.629 642 HG3 MET 79 1HG MET 79 0.576 14.389 3.577 643 HE1 MET 79 3HE MET 79 -2.509 14.700 5.985 644 HE2 MET 79 1HE MET 79 -2.155 13.395 4.853 645 HE3 MET 79 2HE MET 79 -1.879 15.072 4.379 646 H LEU 80 H LEU 80 3.049 12.595 1.351 647 HA LEU 80 HA LEU 80 5.079 11.464 3.155 648 HB2 LEU 80 2HB LEU 80 5.254 10.802 0.819 649 HB3 LEU 80 1HB LEU 80 5.304 12.481 0.316 650 HG LEU 80 HG LEU 80 7.489 12.782 1.323 651 HD11 LEU 80 1HD1 LEU 80 8.686 10.910 2.378 652 HD12 LEU 80 2HD1 LEU 80 7.220 9.934 2.284 653 HD13 LEU 80 3HD1 LEU 80 7.251 11.385 3.284 654 HD21 LEU 80 3HD2 LEU 80 7.419 11.872 -0.941 655 HD22 LEU 80 1HD2 LEU 80 7.380 10.232 -0.292 656 HD23 LEU 80 2HD2 LEU 80 8.805 11.244 -0.050 657 H MET 81 H MET 81 5.483 12.893 4.757 658 HA MET 81 HA MET 81 5.546 15.735 4.270 659 HB2 MET 81 2HB MET 81 4.718 14.797 6.410 660 HB3 MET 81 1HB MET 81 6.338 14.216 6.767 661 HG2 MET 81 2HG MET 81 7.177 16.470 6.884 662 HG3 MET 81 1HG MET 81 5.623 17.116 6.359 663 HE1 MET 81 3HE MET 81 7.174 18.143 8.957 664 HE2 MET 81 1HE MET 81 5.842 18.264 10.105 665 HE3 MET 81 2HE MET 81 5.617 18.788 8.437 666 H ALA 82 H ALA 82 7.176 15.717 2.634 667 HA ALA 82 HA ALA 82 9.895 15.906 3.767 668 HB1 ALA 82 3HB ALA 82 9.220 14.654 1.094 669 HB2 ALA 82 1HB ALA 82 9.742 13.785 2.540 670 HB3 ALA 82 2HB ALA 82 10.841 14.909 1.744 671 H SER 83 H SER 83 11.288 17.435 2.651 672 HA SER 83 HA SER 83 10.170 19.079 0.547 673 HB2 SER 83 2HB SER 83 10.148 21.177 1.742 674 HB3 SER 83 1HB SER 83 9.168 20.030 2.651 675 HG SER 83 HG SER 83 11.094 21.460 3.598 676 H GLN 84 H GLN 84 11.706 20.918 -0.019 677 HA GLN 84 HA GLN 84 14.367 19.874 -0.257 678 HB2 GLN 84 2HB GLN 84 13.341 21.159 -2.068 679 HB3 GLN 84 1HB GLN 84 13.205 22.566 -1.025 680 HG2 GLN 84 2HG GLN 84 15.057 22.813 -2.564 681 HG3 GLN 84 1HG GLN 84 15.641 22.719 -0.903 682 HE21 GLN 84 1HE2 GLN 84 15.435 21.071 -3.962 683 HE22 GLN 84 2HE2 GLN 84 16.639 19.880 -3.619 684 H GLY 85 H GLY 85 12.906 22.590 1.516 685 HA2 GLY 85 2HA GLY 85 13.900 22.849 3.829 686 HA3 GLY 85 1HA GLY 85 15.450 22.915 3.005 Start of MODEL 19 1 H1 MET 1 1H MET 1 -11.892 -2.906 -16.985 2 H2 MET 1 2H MET 1 -11.270 -2.356 -15.509 3 H3 MET 1 3H MET 1 -11.759 -1.246 -16.682 4 HA MET 1 HA MET 1 -13.388 -1.380 -14.933 5 HB2 MET 1 2HB MET 1 -14.259 -2.576 -17.572 6 HB3 MET 1 1HB MET 1 -15.374 -1.975 -16.351 7 HG2 MET 1 2HG MET 1 -14.352 0.262 -16.560 8 HG3 MET 1 1HG MET 1 -13.311 -0.359 -17.841 9 HE1 MET 1 3HE MET 1 -15.197 -2.297 -19.452 10 HE2 MET 1 1HE MET 1 -14.174 -1.097 -20.239 11 HE3 MET 1 2HE MET 1 -15.883 -1.217 -20.663 12 H GLY 2 H GLY 2 -14.310 -2.548 -13.364 13 HA2 GLY 2 2HA GLY 2 -14.938 -5.377 -13.722 14 HA3 GLY 2 1HA GLY 2 -13.730 -5.008 -12.497 15 H HIS 3 H HIS 3 -16.331 -6.219 -12.033 16 HA HIS 3 HA HIS 3 -18.115 -4.165 -11.084 17 HB2 HIS 3 2HB HIS 3 -18.893 -6.322 -12.077 18 HB3 HIS 3 1HB HIS 3 -18.314 -7.151 -10.637 19 HD1 HIS 3 HD1 HIS 3 -19.781 -7.043 -8.556 20 HD2 HIS 3 HD2 HIS 3 -21.187 -4.675 -11.664 21 HE1 HIS 3 HE1 HIS 3 -22.083 -6.335 -7.865 22 HE2 HIS 3 HE2 HIS 3 -22.809 -4.722 -9.648 23 H HIS 4 H HIS 4 -15.803 -3.734 -9.722 24 HA HIS 4 HA HIS 4 -15.310 -2.906 -7.672 25 HB2 HIS 4 2HB HIS 4 -17.765 -2.530 -7.541 26 HB3 HIS 4 1HB HIS 4 -17.931 -4.090 -6.748 27 HD1 HIS 4 HD1 HIS 4 -17.138 -0.566 -6.134 28 HD2 HIS 4 HD2 HIS 4 -16.785 -4.164 -4.089 29 HE1 HIS 4 HE1 HIS 4 -16.737 0.063 -3.742 30 HE2 HIS 4 HE2 HIS 4 -16.367 -2.123 -2.557 31 H HIS 5 H HIS 5 -16.189 -6.317 -7.782 32 HA HIS 5 HA HIS 5 -15.615 -7.006 -5.139 33 HB2 HIS 5 2HB HIS 5 -16.827 -8.432 -6.825 34 HB3 HIS 5 1HB HIS 5 -15.259 -8.840 -7.518 35 HD1 HIS 5 HD1 HIS 5 -13.615 -10.219 -5.927 36 HD2 HIS 5 HD2 HIS 5 -17.528 -9.867 -4.578 37 HE1 HIS 5 HE1 HIS 5 -13.866 -11.956 -4.140 38 HE2 HIS 5 HE2 HIS 5 -16.173 -11.598 -3.216 39 H HIS 6 H HIS 6 -13.800 -7.024 -4.026 40 HA HIS 6 HA HIS 6 -11.208 -6.672 -5.099 41 HB2 HIS 6 2HB HIS 6 -11.940 -6.027 -2.791 42 HB3 HIS 6 1HB HIS 6 -11.988 -7.730 -2.363 43 HD1 HIS 6 HD1 HIS 6 -9.769 -4.846 -2.520 44 HD2 HIS 6 HD2 HIS 6 -9.351 -8.972 -2.348 45 HE1 HIS 6 HE1 HIS 6 -7.400 -5.248 -1.815 46 HE2 HIS 6 HE2 HIS 6 -7.274 -7.731 -1.446 47 H HIS 7 H HIS 7 -9.676 -8.133 -5.754 48 HA HIS 7 HA HIS 7 -10.007 -10.958 -4.978 49 HB2 HIS 7 2HB HIS 7 -9.504 -11.761 -7.195 50 HB3 HIS 7 1HB HIS 7 -10.854 -10.640 -7.310 51 HD1 HIS 7 HD1 HIS 7 -7.202 -10.959 -8.177 52 HD2 HIS 7 HD2 HIS 7 -10.389 -8.376 -8.870 53 HE1 HIS 7 HE1 HIS 7 -6.413 -9.374 -9.958 54 HE2 HIS 7 HE2 HIS 7 -8.309 -7.758 -10.284 55 H HIS 8 H HIS 8 -8.048 -12.217 -4.979 56 HA HIS 8 HA HIS 8 -5.733 -10.786 -4.130 57 HB2 HIS 8 2HB HIS 8 -6.143 -13.703 -4.841 58 HB3 HIS 8 1HB HIS 8 -4.633 -13.063 -4.202 59 HD1 HIS 8 HD1 HIS 8 -4.426 -13.560 -1.804 60 HD2 HIS 8 HD2 HIS 8 -8.378 -12.854 -2.866 61 HE1 HIS 8 HE1 HIS 8 -5.741 -13.798 0.317 62 HE2 HIS 8 HE2 HIS 8 -8.140 -13.560 -0.389 63 H SER 9 H SER 9 -3.792 -10.380 -5.190 64 HA SER 9 HA SER 9 -3.150 -11.419 -7.767 65 HB2 SER 9 2HB SER 9 -4.849 -9.862 -8.556 66 HB3 SER 9 1HB SER 9 -4.098 -8.540 -7.665 67 HG SER 9 HG SER 9 -3.478 -8.495 -9.856 68 H HIS 10 H HIS 10 -1.217 -10.368 -8.726 69 HA HIS 10 HA HIS 10 0.527 -9.162 -6.661 70 HB2 HIS 10 2HB HIS 10 2.433 -10.065 -7.924 71 HB3 HIS 10 1HB HIS 10 1.323 -11.349 -7.464 72 HD1 HIS 10 HD1 HIS 10 0.170 -12.641 -9.348 73 HD2 HIS 10 HD2 HIS 10 2.533 -9.505 -10.705 74 HE1 HIS 10 HE1 HIS 10 0.348 -12.959 -11.831 75 HE2 HIS 10 HE2 HIS 10 1.639 -10.964 -12.644 76 H SER 11 H SER 11 -1.385 -8.133 -8.964 77 HA SER 11 HA SER 11 0.089 -6.786 -10.906 78 HB2 SER 11 2HB SER 11 -2.545 -5.916 -9.681 79 HB3 SER 11 1HB SER 11 -1.905 -5.396 -11.240 80 HG SER 11 HG SER 11 -2.173 -7.451 -12.030 81 H THR 12 H THR 12 0.588 -4.536 -11.189 82 HA THR 12 HA THR 12 1.593 -3.297 -8.752 83 HB THR 12 HB THR 12 2.601 -1.605 -10.298 84 HG1 THR 12 HG1 THR 12 2.426 -2.914 -12.595 85 HG21 THR 12 3HG2 THR 12 3.892 -3.560 -9.613 86 HG22 THR 12 1HG2 THR 12 4.265 -3.129 -11.282 87 HG23 THR 12 2HG2 THR 12 3.206 -4.498 -10.941 88 H ILE 13 H ILE 13 0.663 -1.675 -7.712 89 HA ILE 13 HA ILE 13 -1.832 -0.556 -8.813 90 HB ILE 13 HB ILE 13 -2.339 0.030 -6.430 91 HG12 ILE 13 2HG1 ILE 13 0.147 -1.627 -5.882 92 HG13 ILE 13 1HG1 ILE 13 -0.026 0.097 -5.581 93 HG21 ILE 13 1HG2 ILE 13 -2.899 -2.262 -5.757 94 HG22 ILE 13 2HG2 ILE 13 -1.799 -2.896 -6.981 95 HG23 ILE 13 3HG2 ILE 13 -3.238 -1.998 -7.468 96 HD11 ILE 13 3HD1 ILE 13 -1.570 -2.092 -4.216 97 HD12 ILE 13 1HD1 ILE 13 -1.724 -0.364 -3.902 98 HD13 ILE 13 2HD1 ILE 13 -0.211 -1.194 -3.541 99 H LYS 14 H LYS 14 -2.289 1.686 -8.652 100 HA LYS 14 HA LYS 14 0.088 3.380 -8.645 101 HB2 LYS 14 2HB LYS 14 -2.760 3.946 -9.501 102 HB3 LYS 14 1HB LYS 14 -1.469 5.141 -9.533 103 HG2 LYS 14 2HG LYS 14 -0.204 3.524 -11.026 104 HG3 LYS 14 1HG LYS 14 -1.714 2.629 -11.167 105 HD2 LYS 14 2HD LYS 14 -1.380 5.548 -11.879 106 HD3 LYS 14 1HD LYS 14 -1.288 4.226 -13.040 107 HE2 LYS 14 2HE LYS 14 -3.594 3.605 -12.547 108 HE3 LYS 14 1HE LYS 14 -3.689 4.878 -11.329 109 HZ1 LYS 14 3HZ LYS 14 -3.210 5.322 -14.229 110 HZ2 LYS 14 1HZ LYS 14 -3.371 6.524 -13.051 111 HZ3 LYS 14 2HZ LYS 14 -4.690 5.544 -13.442 112 H LEU 15 H LEU 15 0.700 4.095 -6.719 113 HA LEU 15 HA LEU 15 -1.235 4.878 -4.678 114 HB2 LEU 15 2HB LEU 15 1.793 4.862 -4.671 115 HB3 LEU 15 1HB LEU 15 0.805 5.341 -3.306 116 HG LEU 15 HG LEU 15 -0.142 3.016 -3.256 117 HD11 LEU 15 1HD1 LEU 15 1.087 1.243 -4.420 118 HD12 LEU 15 2HD1 LEU 15 2.034 2.463 -5.271 119 HD13 LEU 15 3HD1 LEU 15 0.296 2.343 -5.547 120 HD21 LEU 15 3HD2 LEU 15 1.821 2.013 -2.214 121 HD22 LEU 15 1HD2 LEU 15 1.657 3.706 -1.750 122 HD23 LEU 15 2HD2 LEU 15 2.855 3.233 -2.956 123 H THR 16 H THR 16 -1.594 6.982 -4.000 124 HA THR 16 HA THR 16 -0.302 9.128 -5.581 125 HB THR 16 HB THR 16 -2.897 9.309 -4.018 126 HG1 THR 16 HG1 THR 16 -2.399 8.832 -6.781 127 HG21 THR 16 3HG2 THR 16 -1.738 11.464 -4.311 128 HG22 THR 16 1HG2 THR 16 -3.238 11.400 -5.240 129 HG23 THR 16 2HG2 THR 16 -1.687 11.193 -6.053 130 H VAL 17 H VAL 17 1.559 9.398 -4.277 131 HA VAL 17 HA VAL 17 1.172 9.931 -1.432 132 HB VAL 17 HB VAL 17 3.070 8.520 -2.105 133 HG11 VAL 17 1HG1 VAL 17 3.586 9.538 -4.255 134 HG12 VAL 17 2HG1 VAL 17 5.019 9.472 -3.229 135 HG13 VAL 17 3HG1 VAL 17 4.158 10.997 -3.443 136 HG21 VAL 17 3HG2 VAL 17 4.806 9.628 -0.765 137 HG22 VAL 17 1HG2 VAL 17 3.216 9.750 -0.013 138 HG23 VAL 17 2HG2 VAL 17 3.905 11.141 -0.853 139 H LYS 18 H LYS 18 1.801 11.844 -0.387 140 HA LYS 18 HA LYS 18 1.344 14.166 -2.140 141 HB2 LYS 18 2HB LYS 18 -0.269 13.175 -0.155 142 HB3 LYS 18 1HB LYS 18 0.612 14.431 0.701 143 HG2 LYS 18 2HG LYS 18 -0.088 16.054 -1.016 144 HG3 LYS 18 1HG LYS 18 -1.004 14.772 -1.814 145 HD2 LYS 18 2HD LYS 18 -2.417 14.512 0.146 146 HD3 LYS 18 1HD LYS 18 -1.458 15.699 1.031 147 HE2 LYS 18 2HE LYS 18 -3.543 16.674 0.212 148 HE3 LYS 18 1HE LYS 18 -2.143 17.440 -0.536 149 HZ1 LYS 18 3HZ LYS 18 -3.768 15.304 -1.808 150 HZ2 LYS 18 1HZ LYS 18 -2.514 16.183 -2.525 151 HZ3 LYS 18 2HZ LYS 18 -3.956 16.958 -2.103 152 H PHE 19 H PHE 19 3.233 15.235 -2.382 153 HA PHE 19 HA PHE 19 4.910 15.942 -0.122 154 HB2 PHE 19 2HB PHE 19 4.916 16.488 -3.051 155 HB3 PHE 19 1HB PHE 19 5.660 17.712 -2.033 156 HD1 PHE 19 HD1 PHE 19 7.550 17.060 -0.527 157 HD2 PHE 19 HD2 PHE 19 6.050 14.475 -3.566 158 HE1 PHE 19 HE1 PHE 19 9.646 15.779 -0.466 159 HE2 PHE 19 HE2 PHE 19 8.145 13.186 -3.502 160 HZ PHE 19 HZ PHE 19 9.947 13.839 -1.954 161 H GLY 20 H GLY 20 5.258 18.333 0.380 162 HA2 GLY 20 2HA GLY 20 2.922 19.604 1.213 163 HA3 GLY 20 1HA GLY 20 4.469 20.403 1.002 164 H GLY 21 H GLY 21 1.449 19.539 -0.595 165 HA2 GLY 21 2HA GLY 21 0.216 20.971 -2.001 166 HA3 GLY 21 1HA GLY 21 1.662 21.926 -2.278 167 H LYS 22 H LYS 22 2.314 18.618 -2.647 168 HA LYS 22 HA LYS 22 1.838 18.747 -5.567 169 HB2 LYS 22 2HB LYS 22 4.328 17.560 -4.334 170 HB3 LYS 22 1HB LYS 22 4.018 17.867 -6.034 171 HG2 LYS 22 2HG LYS 22 4.327 20.004 -3.927 172 HG3 LYS 22 1HG LYS 22 5.612 19.453 -5.001 173 HD2 LYS 22 2HD LYS 22 4.393 20.244 -6.940 174 HD3 LYS 22 1HD LYS 22 3.001 20.663 -5.937 175 HE2 LYS 22 2HE LYS 22 4.402 22.623 -6.548 176 HE3 LYS 22 1HE LYS 22 4.263 22.377 -4.806 177 HZ1 LYS 22 3HZ LYS 22 6.437 21.318 -4.825 178 HZ2 LYS 22 1HZ LYS 22 6.533 22.889 -5.440 179 HZ3 LYS 22 2HZ LYS 22 6.571 21.568 -6.491 180 H SER 23 H SER 23 1.065 16.888 -6.490 181 HA SER 23 HA SER 23 0.801 14.504 -4.764 182 HB2 SER 23 2HB SER 23 -1.028 13.823 -6.316 183 HB3 SER 23 1HB SER 23 -1.344 15.361 -5.520 184 HG SER 23 HG SER 23 -1.813 15.704 -7.629 185 H ILE 24 H ILE 24 1.913 12.708 -5.249 186 HA ILE 24 HA ILE 24 3.178 12.490 -7.916 187 HB ILE 24 HB ILE 24 4.230 11.335 -5.323 188 HG12 ILE 24 2HG1 ILE 24 4.324 13.792 -5.252 189 HG13 ILE 24 1HG1 ILE 24 5.937 13.099 -5.367 190 HG21 ILE 24 1HG2 ILE 24 6.300 10.970 -6.604 191 HG22 ILE 24 2HG2 ILE 24 5.494 11.563 -8.057 192 HG23 ILE 24 3HG2 ILE 24 4.932 10.082 -7.278 193 HD11 ILE 24 3HD1 ILE 24 5.997 13.638 -7.748 194 HD12 ILE 24 1HD1 ILE 24 5.714 15.071 -6.757 195 HD13 ILE 24 2HD1 ILE 24 4.375 14.326 -7.631 196 HA PRO 25 HA PRO 25 0.785 8.610 -7.802 197 HB2 PRO 25 2HB PRO 25 0.235 8.467 -10.417 198 HB3 PRO 25 1HB PRO 25 -0.573 9.643 -9.376 199 HG2 PRO 25 2HG PRO 25 1.623 10.054 -11.346 200 HG3 PRO 25 1HG PRO 25 0.293 11.137 -10.908 201 HD2 PRO 25 2HD PRO 25 2.950 11.249 -9.944 202 HD3 PRO 25 1HD PRO 25 1.558 12.153 -9.314 203 H LEU 26 H LEU 26 2.020 6.821 -7.473 204 HA LEU 26 HA LEU 26 3.992 6.054 -9.543 205 HB2 LEU 26 2HB LEU 26 4.171 5.630 -6.557 206 HB3 LEU 26 1HB LEU 26 5.306 4.988 -7.731 207 HG LEU 26 HG LEU 26 4.836 7.918 -7.134 208 HD11 LEU 26 1HD1 LEU 26 7.113 7.848 -6.237 209 HD12 LEU 26 2HD1 LEU 26 7.180 6.112 -6.536 210 HD13 LEU 26 3HD1 LEU 26 6.038 6.762 -5.361 211 HD21 LEU 26 3HD2 LEU 26 5.386 7.578 -9.493 212 HD22 LEU 26 1HD2 LEU 26 6.793 6.615 -9.038 213 HD23 LEU 26 2HD2 LEU 26 6.728 8.332 -8.635 214 H SER 27 H SER 27 3.555 4.188 -10.533 215 HA SER 27 HA SER 27 1.712 2.275 -9.305 216 HB2 SER 27 2HB SER 27 1.868 1.091 -11.523 217 HB3 SER 27 1HB SER 27 1.244 2.732 -11.618 218 HG SER 27 HG SER 27 3.944 1.987 -12.124 219 H VAL 28 H VAL 28 2.722 1.055 -7.795 220 HA VAL 28 HA VAL 28 5.157 -0.413 -8.611 221 HB VAL 28 HB VAL 28 6.021 -0.280 -6.312 222 HG11 VAL 28 1HG1 VAL 28 6.789 1.374 -7.924 223 HG12 VAL 28 2HG1 VAL 28 6.674 2.097 -6.320 224 HG13 VAL 28 3HG1 VAL 28 5.429 2.424 -7.529 225 HG21 VAL 28 3HG2 VAL 28 3.680 1.566 -5.804 226 HG22 VAL 28 1HG2 VAL 28 5.017 1.277 -4.689 227 HG23 VAL 28 2HG2 VAL 28 3.918 -0.036 -5.104 228 H SER 29 H SER 29 5.575 -2.309 -7.052 229 HA SER 29 HA SER 29 3.170 -3.924 -6.948 230 HB2 SER 29 2HB SER 29 6.045 -4.616 -6.270 231 HB3 SER 29 1HB SER 29 4.715 -5.771 -6.347 232 HG SER 29 HG SER 29 4.756 -5.707 -8.472 233 HA PRO 30 HA PRO 30 2.295 -2.920 -2.673 234 HB2 PRO 30 2HB PRO 30 0.587 -5.015 -2.157 235 HB3 PRO 30 1HB PRO 30 0.119 -3.548 -3.026 236 HG2 PRO 30 2HG PRO 30 0.936 -6.221 -4.123 237 HG3 PRO 30 1HG PRO 30 -0.403 -5.170 -4.625 238 HD2 PRO 30 2HD PRO 30 1.888 -5.264 -6.012 239 HD3 PRO 30 1HD PRO 30 1.004 -3.736 -5.807 240 H ASP 31 H ASP 31 3.672 -5.940 -3.699 241 HA ASP 31 HA ASP 31 4.125 -7.099 -1.143 242 HB2 ASP 31 2HB ASP 31 5.610 -7.545 -3.744 243 HB3 ASP 31 1HB ASP 31 5.645 -8.607 -2.338 244 H CYS 32 H CYS 32 5.688 -4.533 -2.818 245 HA CYS 32 HA CYS 32 8.285 -4.814 -1.621 246 HB2 CYS 32 2HB CYS 32 7.011 -2.424 -2.981 247 HB3 CYS 32 1HB CYS 32 8.715 -2.571 -2.566 248 HG CYS 32 HG CYS 32 9.146 -3.226 -5.032 249 H THR 33 H THR 33 9.254 -3.241 -0.124 250 HA THR 33 HA THR 33 7.390 -2.560 2.022 251 HB THR 33 HB THR 33 9.365 -2.169 3.416 252 HG1 THR 33 HG1 THR 33 11.439 -2.901 2.256 253 HG21 THR 33 3HG2 THR 33 10.279 -4.449 3.430 254 HG22 THR 33 1HG2 THR 33 9.568 -4.746 1.843 255 HG23 THR 33 2HG2 THR 33 8.526 -4.464 3.238 256 H VAL 34 H VAL 34 7.399 -0.490 3.074 257 HA VAL 34 HA VAL 34 7.376 1.712 1.296 258 HB VAL 34 HB VAL 34 6.966 3.117 3.266 259 HG11 VAL 34 1HG1 VAL 34 5.109 1.882 2.270 260 HG12 VAL 34 2HG1 VAL 34 4.894 2.043 4.011 261 HG13 VAL 34 3HG1 VAL 34 5.435 0.510 3.329 262 HG21 VAL 34 3HG2 VAL 34 8.508 2.063 4.835 263 HG22 VAL 34 1HG2 VAL 34 7.508 0.612 4.869 264 HG23 VAL 34 2HG2 VAL 34 6.883 2.129 5.514 265 H LYS 35 H LYS 35 9.932 0.309 3.145 266 HA LYS 35 HA LYS 35 11.649 2.628 3.077 267 HB2 LYS 35 2HB LYS 35 11.830 0.824 4.800 268 HB3 LYS 35 1HB LYS 35 12.405 -0.267 3.546 269 HG2 LYS 35 2HG LYS 35 14.390 1.039 3.222 270 HG3 LYS 35 1HG LYS 35 13.780 2.315 4.278 271 HD2 LYS 35 2HD LYS 35 13.826 0.748 6.179 272 HD3 LYS 35 1HD LYS 35 14.468 -0.507 5.119 273 HE2 LYS 35 2HE LYS 35 15.825 2.133 5.686 274 HE3 LYS 35 1HE LYS 35 16.207 0.611 6.491 275 HZ1 LYS 35 3HZ LYS 35 16.496 1.182 3.588 276 HZ2 LYS 35 1HZ LYS 35 16.794 -0.316 4.316 277 HZ3 LYS 35 2HZ LYS 35 17.749 1.016 4.712 278 H ASP 36 H ASP 36 11.293 -0.354 1.167 279 HA ASP 36 HA ASP 36 13.340 0.071 -0.693 280 HB2 ASP 36 2HB ASP 36 12.022 -2.012 -0.584 281 HB3 ASP 36 1HB ASP 36 10.599 -1.149 -1.156 282 H LEU 37 H LEU 37 9.991 1.257 -0.645 283 HA LEU 37 HA LEU 37 9.930 2.730 -2.988 284 HB2 LEU 37 2HB LEU 37 8.666 3.260 -0.304 285 HB3 LEU 37 1HB LEU 37 8.362 4.284 -1.695 286 HG LEU 37 HG LEU 37 7.714 1.335 -1.493 287 HD11 LEU 37 1HD1 LEU 37 6.217 2.728 -0.161 288 HD12 LEU 37 2HD1 LEU 37 5.382 2.084 -1.576 289 HD13 LEU 37 3HD1 LEU 37 5.919 3.765 -1.557 290 HD21 LEU 37 3HD2 LEU 37 7.239 3.302 -3.737 291 HD22 LEU 37 1HD2 LEU 37 6.620 1.649 -3.673 292 HD23 LEU 37 2HD2 LEU 37 8.358 1.938 -3.762 293 H LYS 38 H LYS 38 11.324 3.670 0.142 294 HA LYS 38 HA LYS 38 11.954 6.329 -0.450 295 HB2 LYS 38 2HB LYS 38 13.455 4.351 1.278 296 HB3 LYS 38 1HB LYS 38 13.793 6.075 1.231 297 HG2 LYS 38 2HG LYS 38 11.442 6.483 1.980 298 HG3 LYS 38 1HG LYS 38 11.273 4.736 2.199 299 HD2 LYS 38 2HD LYS 38 13.058 4.723 3.832 300 HD3 LYS 38 1HD LYS 38 13.390 6.431 3.534 301 HE2 LYS 38 2HE LYS 38 11.016 6.887 4.293 302 HE3 LYS 38 1HE LYS 38 10.966 5.211 4.844 303 HZ1 LYS 38 3HZ LYS 38 12.924 7.260 5.736 304 HZ2 LYS 38 1HZ LYS 38 12.841 5.662 6.287 305 HZ3 LYS 38 2HZ LYS 38 11.580 6.739 6.624 306 H SER 39 H SER 39 13.768 3.369 -1.121 307 HA SER 39 HA SER 39 16.080 4.633 -2.191 308 HB2 SER 39 2HB SER 39 16.055 2.282 -1.386 309 HB3 SER 39 1HB SER 39 15.035 1.839 -2.754 310 HG SER 39 HG SER 39 16.708 1.987 -4.077 311 H GLN 40 H GLN 40 12.966 3.909 -3.518 312 HA GLN 40 HA GLN 40 13.834 4.316 -6.280 313 HB2 GLN 40 2HB GLN 40 11.080 3.770 -5.140 314 HB3 GLN 40 1HB GLN 40 11.480 3.835 -6.852 315 HG2 GLN 40 2HG GLN 40 12.966 1.917 -6.592 316 HG3 GLN 40 1HG GLN 40 12.601 1.857 -4.870 317 HE21 GLN 40 1HE2 GLN 40 9.773 2.466 -5.262 318 HE22 GLN 40 2HE2 GLN 40 9.062 1.033 -5.901 319 H LEU 41 H LEU 41 12.060 6.006 -3.759 320 HA LEU 41 HA LEU 41 11.095 8.134 -5.363 321 HB2 LEU 41 2HB LEU 41 11.446 7.733 -2.413 322 HB3 LEU 41 1HB LEU 41 10.983 9.307 -3.036 323 HG LEU 41 HG LEU 41 9.424 6.763 -3.539 324 HD11 LEU 41 1HD1 LEU 41 7.806 7.648 -1.925 325 HD12 LEU 41 2HD1 LEU 41 8.902 8.981 -1.557 326 HD13 LEU 41 3HD1 LEU 41 9.365 7.323 -1.170 327 HD21 LEU 41 3HD2 LEU 41 9.131 8.463 -5.266 328 HD22 LEU 41 1HD2 LEU 41 8.757 9.670 -4.032 329 HD23 LEU 41 2HD2 LEU 41 7.672 8.302 -4.291 330 H GLN 42 H GLN 42 14.074 7.765 -3.445 331 HA GLN 42 HA GLN 42 14.847 10.414 -3.335 332 HB2 GLN 42 2HB GLN 42 16.013 8.716 -2.065 333 HB3 GLN 42 1HB GLN 42 16.641 7.990 -3.540 334 HG2 GLN 42 2HG GLN 42 18.011 9.901 -3.984 335 HG3 GLN 42 1HG GLN 42 17.262 10.811 -2.676 336 HE21 GLN 42 1HE2 GLN 42 19.216 11.186 -1.676 337 HE22 GLN 42 2HE2 GLN 42 20.102 9.954 -0.855 338 HA PRO 43 HA PRO 43 17.324 10.083 -7.492 339 HB2 PRO 43 2HB PRO 43 16.617 8.125 -9.254 340 HB3 PRO 43 1HB PRO 43 17.881 7.917 -8.037 341 HG2 PRO 43 2HG PRO 43 15.009 7.046 -7.947 342 HG3 PRO 43 1HG PRO 43 16.467 6.135 -7.503 343 HD2 PRO 43 2HD PRO 43 14.907 7.317 -5.647 344 HD3 PRO 43 1HD PRO 43 16.670 7.216 -5.457 345 H ILE 44 H ILE 44 13.940 9.709 -7.103 346 HA ILE 44 HA ILE 44 13.356 10.901 -9.736 347 HB ILE 44 HB ILE 44 11.490 9.554 -7.768 348 HG12 ILE 44 2HG1 ILE 44 12.528 8.632 -10.468 349 HG13 ILE 44 1HG1 ILE 44 13.049 8.007 -8.907 350 HG21 ILE 44 1HG2 ILE 44 10.296 11.276 -8.991 351 HG22 ILE 44 2HG2 ILE 44 9.811 9.688 -9.580 352 HG23 ILE 44 3HG2 ILE 44 10.930 10.671 -10.522 353 HD11 ILE 44 3HD1 ILE 44 10.790 7.166 -8.497 354 HD12 ILE 44 1HD1 ILE 44 11.485 6.501 -9.975 355 HD13 ILE 44 2HD1 ILE 44 10.280 7.783 -10.070 356 H THR 45 H THR 45 12.127 11.208 -6.377 357 HA THR 45 HA THR 45 11.219 13.923 -6.957 358 HB THR 45 HB THR 45 10.136 13.818 -4.732 359 HG1 THR 45 HG1 THR 45 10.175 11.722 -3.676 360 HG21 THR 45 3HG2 THR 45 9.580 11.427 -6.504 361 HG22 THR 45 1HG2 THR 45 8.890 13.043 -6.687 362 HG23 THR 45 2HG2 THR 45 8.487 12.065 -5.274 363 H ASN 46 H ASN 46 14.102 12.697 -6.035 364 HA ASN 46 HA ASN 46 16.004 13.642 -5.211 365 HB2 ASN 46 2HB ASN 46 14.346 16.176 -5.349 366 HB3 ASN 46 1HB ASN 46 16.083 16.137 -5.051 367 HD21 ASN 46 1HD2 ASN 46 13.570 15.490 -7.402 368 HD22 ASN 46 2HD2 ASN 46 14.612 15.484 -8.779 369 H VAL 47 H VAL 47 13.863 12.666 -3.349 370 HA VAL 47 HA VAL 47 14.349 14.318 -0.966 371 HB VAL 47 HB VAL 47 12.014 13.794 -1.490 372 HG11 VAL 47 1HG1 VAL 47 12.799 10.908 -1.085 373 HG12 VAL 47 2HG1 VAL 47 12.308 11.657 -2.604 374 HG13 VAL 47 3HG1 VAL 47 11.152 11.506 -1.282 375 HG21 VAL 47 3HG2 VAL 47 12.984 12.434 1.031 376 HG22 VAL 47 1HG2 VAL 47 11.331 12.967 0.719 377 HG23 VAL 47 2HG2 VAL 47 12.631 14.152 0.841 378 H LEU 48 H LEU 48 15.245 13.499 0.933 379 HA LEU 48 HA LEU 48 17.081 11.291 0.583 380 HB2 LEU 48 2HB LEU 48 16.586 13.080 2.972 381 HB3 LEU 48 1HB LEU 48 17.909 11.938 2.818 382 HG LEU 48 HG LEU 48 17.488 14.371 1.068 383 HD11 LEU 48 1HD1 LEU 48 19.451 15.277 2.214 384 HD12 LEU 48 2HD1 LEU 48 19.491 13.864 3.270 385 HD13 LEU 48 3HD1 LEU 48 18.127 14.979 3.337 386 HD21 LEU 48 3HD2 LEU 48 19.718 13.864 0.185 387 HD22 LEU 48 1HD2 LEU 48 18.586 12.553 -0.141 388 HD23 LEU 48 2HD2 LEU 48 19.772 12.391 1.155 389 HA PRO 49 HA PRO 49 14.510 8.059 2.272 390 HB2 PRO 49 2HB PRO 49 16.551 6.529 3.405 391 HB3 PRO 49 1HB PRO 49 16.012 6.440 1.726 392 HG2 PRO 49 2HG PRO 49 18.335 7.918 2.897 393 HG3 PRO 49 1HG PRO 49 18.228 7.024 1.367 394 HD2 PRO 49 2HD PRO 49 18.137 9.700 1.418 395 HD3 PRO 49 1HD PRO 49 17.134 8.773 0.280 396 H ARG 50 H ARG 50 17.074 9.354 4.400 397 HA ARG 50 HA ARG 50 15.893 8.526 6.836 398 HB2 ARG 50 2HB ARG 50 18.229 9.119 6.732 399 HB3 ARG 50 1HB ARG 50 17.839 10.756 6.221 400 HG2 ARG 50 2HG ARG 50 16.944 11.293 8.377 401 HG3 ARG 50 1HG ARG 50 17.058 9.609 8.901 402 HD2 ARG 50 2HD ARG 50 19.406 11.363 8.156 403 HD3 ARG 50 1HD ARG 50 18.883 11.015 9.805 404 HE ARG 50 HE ARG 50 19.258 8.566 8.983 405 HH11 ARG 50 1HH1 ARG 50 21.228 11.299 8.237 406 HH12 ARG 50 2HH1 ARG 50 22.663 10.348 8.104 407 HH21 ARG 50 1HH2 ARG 50 21.096 7.375 8.806 408 HH22 ARG 50 2HH2 ARG 50 22.592 8.152 8.423 409 H GLY 51 H GLY 51 15.526 11.467 4.909 410 HA2 GLY 51 2HA GLY 51 13.816 12.758 6.865 411 HA3 GLY 51 1HA GLY 51 14.214 13.358 5.264 412 H GLN 52 H GLN 52 13.345 10.498 4.349 413 HA GLN 52 HA GLN 52 10.728 11.246 3.534 414 HB2 GLN 52 2HB GLN 52 12.396 8.772 3.227 415 HB3 GLN 52 1HB GLN 52 10.690 8.728 2.799 416 HG2 GLN 52 2HG GLN 52 11.015 10.536 1.212 417 HG3 GLN 52 1HG GLN 52 12.714 10.649 1.662 418 HE21 GLN 52 1HE2 GLN 52 14.153 9.197 0.800 419 HE22 GLN 52 2HE2 GLN 52 13.723 8.032 -0.398 420 H LYS 53 H LYS 53 9.250 11.488 5.112 421 HA LYS 53 HA LYS 53 8.669 9.185 6.855 422 HB2 LYS 53 2HB LYS 53 7.717 12.054 6.994 423 HB3 LYS 53 1HB LYS 53 7.214 10.785 8.102 424 HG2 LYS 53 2HG LYS 53 9.477 10.546 8.916 425 HG3 LYS 53 1HG LYS 53 10.056 11.725 7.738 426 HD2 LYS 53 2HD LYS 53 8.667 13.456 8.804 427 HD3 LYS 53 1HD LYS 53 8.099 12.270 9.982 428 HE2 LYS 53 2HE LYS 53 10.978 13.111 9.611 429 HE3 LYS 53 1HE LYS 53 9.901 13.716 10.867 430 HZ1 LYS 53 3HZ LYS 53 10.699 10.874 10.529 431 HZ2 LYS 53 1HZ LYS 53 9.725 11.497 11.762 432 HZ3 LYS 53 2HZ LYS 53 11.351 11.941 11.665 433 H LEU 54 H LEU 54 7.524 7.829 5.485 434 HA LEU 54 HA LEU 54 5.294 8.777 3.918 435 HB2 LEU 54 2HB LEU 54 6.259 5.985 4.568 436 HB3 LEU 54 1HB LEU 54 4.905 6.328 3.505 437 HG LEU 54 HG LEU 54 7.759 7.221 3.027 438 HD11 LEU 54 1HD1 LEU 54 7.486 4.795 2.798 439 HD12 LEU 54 2HD1 LEU 54 7.793 5.569 1.243 440 HD13 LEU 54 3HD1 LEU 54 6.159 5.051 1.664 441 HD21 LEU 54 3HD2 LEU 54 6.118 8.768 2.085 442 HD22 LEU 54 1HD2 LEU 54 5.309 7.430 1.269 443 HD23 LEU 54 2HD2 LEU 54 6.952 7.879 0.812 444 H ILE 55 H ILE 55 3.282 9.081 4.633 445 HA ILE 55 HA ILE 55 2.462 7.880 7.205 446 HB ILE 55 HB ILE 55 1.942 10.726 6.301 447 HG12 ILE 55 2HG1 ILE 55 3.869 9.654 8.388 448 HG13 ILE 55 1HG1 ILE 55 4.311 10.384 6.851 449 HG21 ILE 55 1HG2 ILE 55 1.098 11.069 8.579 450 HG22 ILE 55 2HG2 ILE 55 1.341 9.356 8.924 451 HG23 ILE 55 3HG2 ILE 55 0.160 9.854 7.712 452 HD11 ILE 55 3HD1 ILE 55 4.645 11.944 8.655 453 HD12 ILE 55 1HD1 ILE 55 2.962 11.768 9.158 454 HD13 ILE 55 2HD1 ILE 55 3.347 12.509 7.604 455 H PHE 56 H PHE 56 0.653 6.695 6.992 456 HA PHE 56 HA PHE 56 -1.248 7.310 4.814 457 HB2 PHE 56 2HB PHE 56 -0.175 5.090 4.706 458 HB3 PHE 56 1HB PHE 56 -0.792 4.710 6.308 459 HD1 PHE 56 HD1 PHE 56 -2.259 6.073 3.139 460 HD2 PHE 56 HD2 PHE 56 -2.503 3.176 6.254 461 HE1 PHE 56 HE1 PHE 56 -4.271 5.123 2.094 462 HE2 PHE 56 HE2 PHE 56 -4.518 2.223 5.213 463 HZ PHE 56 HZ PHE 56 -5.404 3.195 3.130 464 H LYS 57 H LYS 57 -3.135 8.178 5.382 465 HA LYS 57 HA LYS 57 -4.986 8.805 6.541 466 HB2 LYS 57 2HB LYS 57 -4.450 6.331 8.209 467 HB3 LYS 57 1HB LYS 57 -5.951 7.246 8.188 468 HG2 LYS 57 2HG LYS 57 -4.771 5.743 5.852 469 HG3 LYS 57 1HG LYS 57 -6.114 5.202 6.859 470 HD2 LYS 57 2HD LYS 57 -7.451 7.118 6.121 471 HD3 LYS 57 1HD LYS 57 -6.099 7.696 5.143 472 HE2 LYS 57 2HE LYS 57 -6.198 5.608 3.826 473 HE3 LYS 57 1HE LYS 57 -7.591 5.094 4.776 474 HZ1 LYS 57 3HZ LYS 57 -8.849 6.925 3.939 475 HZ2 LYS 57 1HZ LYS 57 -8.174 6.108 2.624 476 HZ3 LYS 57 2HZ LYS 57 -7.506 7.568 3.145 477 H GLY 58 H GLY 58 -2.211 9.582 7.452 478 HA2 GLY 58 2HA GLY 58 -1.568 11.159 9.076 479 HA3 GLY 58 1HA GLY 58 -2.975 10.729 10.034 480 H LYS 59 H LYS 59 -1.602 7.874 9.154 481 HA LYS 59 HA LYS 59 0.002 7.707 11.629 482 HB2 LYS 59 2HB LYS 59 -2.078 6.342 11.575 483 HB3 LYS 59 1HB LYS 59 -1.458 5.492 10.168 484 HG2 LYS 59 2HG LYS 59 0.392 4.611 11.498 485 HG3 LYS 59 1HG LYS 59 -0.195 5.494 12.911 486 HD2 LYS 59 2HD LYS 59 -2.326 4.216 12.767 487 HD3 LYS 59 1HD LYS 59 -1.642 3.283 11.435 488 HE2 LYS 59 2HE LYS 59 -0.568 3.401 14.258 489 HE3 LYS 59 1HE LYS 59 -1.478 2.067 13.550 490 HZ1 LYS 59 3HZ LYS 59 0.858 1.585 13.513 491 HZ2 LYS 59 1HZ LYS 59 1.196 3.022 12.688 492 HZ3 LYS 59 2HZ LYS 59 0.317 1.791 11.927 493 H VAL 60 H VAL 60 2.138 7.392 11.369 494 HA VAL 60 HA VAL 60 3.356 7.182 8.821 495 HB VAL 60 HB VAL 60 4.642 6.625 11.506 496 HG11 VAL 60 1HG1 VAL 60 6.022 5.910 9.627 497 HG12 VAL 60 2HG1 VAL 60 6.720 7.335 10.396 498 HG13 VAL 60 3HG1 VAL 60 5.846 7.497 8.872 499 HG21 VAL 60 3HG2 VAL 60 5.252 8.978 11.571 500 HG22 VAL 60 1HG2 VAL 60 3.499 8.806 11.492 501 HG23 VAL 60 2HG2 VAL 60 4.408 9.261 10.052 502 H LEU 61 H LEU 61 4.098 5.455 7.661 503 HA LEU 61 HA LEU 61 3.431 2.780 8.549 504 HB2 LEU 61 2HB LEU 61 4.846 3.705 6.039 505 HB3 LEU 61 1HB LEU 61 4.361 2.055 6.366 506 HG LEU 61 HG LEU 61 2.743 2.894 4.886 507 HD11 LEU 61 1HD1 LEU 61 0.666 2.902 6.160 508 HD12 LEU 61 2HD1 LEU 61 1.570 3.162 7.652 509 HD13 LEU 61 3HD1 LEU 61 1.772 1.660 6.749 510 HD21 LEU 61 3HD2 LEU 61 1.566 5.006 5.163 511 HD22 LEU 61 1HD2 LEU 61 3.307 5.264 5.065 512 HD23 LEU 61 2HD2 LEU 61 2.489 5.345 6.627 513 H VAL 62 H VAL 62 4.859 1.124 9.053 514 HA VAL 62 HA VAL 62 7.461 1.889 10.031 515 HB VAL 62 HB VAL 62 6.300 -0.902 9.796 516 HG11 VAL 62 1HG1 VAL 62 8.541 0.205 11.496 517 HG12 VAL 62 2HG1 VAL 62 8.701 -0.910 10.139 518 HG13 VAL 62 3HG1 VAL 62 7.890 -1.430 11.614 519 HG21 VAL 62 3HG2 VAL 62 5.616 -0.638 12.146 520 HG22 VAL 62 1HG2 VAL 62 4.799 0.517 11.091 521 HG23 VAL 62 2HG2 VAL 62 6.142 1.047 12.105 522 H GLU 63 H GLU 63 9.380 1.705 9.000 523 HA GLU 63 HA GLU 63 9.514 1.387 6.238 524 HB2 GLU 63 2HB GLU 63 11.729 1.236 8.287 525 HB3 GLU 63 1HB GLU 63 11.990 1.368 6.551 526 HG2 GLU 63 2HG GLU 63 10.742 3.505 6.559 527 HG3 GLU 63 1HG GLU 63 10.593 3.379 8.310 528 H THR 64 H THR 64 9.746 -1.052 8.705 529 HA THR 64 HA THR 64 10.807 -3.057 6.872 530 HB THR 64 HB THR 64 10.644 -4.606 8.796 531 HG1 THR 64 HG1 THR 64 10.027 -3.712 10.837 532 HG21 THR 64 3HG2 THR 64 11.986 -1.965 9.411 533 HG22 THR 64 1HG2 THR 64 12.688 -3.317 8.521 534 HG23 THR 64 2HG2 THR 64 12.315 -3.487 10.236 535 H SER 65 H SER 65 7.939 -1.719 6.885 536 HA SER 65 HA SER 65 6.408 -4.241 6.642 537 HB2 SER 65 2HB SER 65 5.518 -2.725 8.373 538 HB3 SER 65 1HB SER 65 5.359 -1.443 7.175 539 HG SER 65 HG SER 65 3.521 -2.280 6.614 540 H THR 66 H THR 66 4.774 -4.326 4.931 541 HA THR 66 HA THR 66 5.744 -3.012 2.483 542 HB THR 66 HB THR 66 4.623 -4.704 1.218 543 HG1 THR 66 HG1 THR 66 3.397 -6.362 2.516 544 HG21 THR 66 3HG2 THR 66 5.586 -6.782 2.100 545 HG22 THR 66 1HG2 THR 66 5.842 -6.004 3.663 546 HG23 THR 66 2HG2 THR 66 6.722 -5.441 2.242 547 H LEU 67 H LEU 67 3.954 -2.575 0.802 548 HA LEU 67 HA LEU 67 2.035 -0.752 1.883 549 HB2 LEU 67 2HB LEU 67 2.344 -1.904 -0.898 550 HB3 LEU 67 1HB LEU 67 1.140 -0.702 -0.482 551 HG LEU 67 HG LEU 67 2.945 0.437 -1.534 552 HD11 LEU 67 1HD1 LEU 67 1.960 1.572 0.405 553 HD12 LEU 67 2HD1 LEU 67 3.651 2.010 0.167 554 HD13 LEU 67 3HD1 LEU 67 3.206 0.872 1.441 555 HD21 LEU 67 3HD2 LEU 67 4.806 -0.855 0.462 556 HD22 LEU 67 1HD2 LEU 67 5.256 0.311 -0.784 557 HD23 LEU 67 2HD2 LEU 67 4.665 -1.285 -1.244 558 H LYS 68 H LYS 68 1.869 -4.049 0.615 559 HA LYS 68 HA LYS 68 -0.936 -4.339 0.690 560 HB2 LYS 68 2HB LYS 68 0.536 -5.856 -0.559 561 HB3 LYS 68 1HB LYS 68 1.207 -6.462 0.950 562 HG2 LYS 68 2HG LYS 68 -0.898 -7.445 1.564 563 HG3 LYS 68 1HG LYS 68 -1.701 -6.697 0.180 564 HD2 LYS 68 2HD LYS 68 -0.325 -8.036 -1.345 565 HD3 LYS 68 1HD LYS 68 0.499 -8.771 0.033 566 HE2 LYS 68 2HE LYS 68 -2.465 -8.968 -0.514 567 HE3 LYS 68 1HE LYS 68 -1.282 -10.208 -0.926 568 HZ1 LYS 68 3HZ LYS 68 -0.739 -10.415 1.422 569 HZ2 LYS 68 1HZ LYS 68 -2.382 -10.714 1.152 570 HZ3 LYS 68 2HZ LYS 68 -1.889 -9.239 1.815 571 H GLN 69 H GLN 69 1.547 -4.966 3.158 572 HA GLN 69 HA GLN 69 -0.208 -6.004 5.136 573 HB2 GLN 69 2HB GLN 69 2.434 -4.549 5.425 574 HB3 GLN 69 1HB GLN 69 1.590 -5.333 6.753 575 HG2 GLN 69 2HG GLN 69 1.821 -7.493 5.644 576 HG3 GLN 69 1HG GLN 69 2.635 -6.717 4.286 577 HE21 GLN 69 1HE2 GLN 69 4.521 -7.915 4.586 578 HE22 GLN 69 2HE2 GLN 69 5.590 -7.640 5.916 579 H SER 70 H SER 70 0.402 -2.791 4.014 580 HA SER 70 HA SER 70 -0.839 -1.560 6.373 581 HB2 SER 70 2HB SER 70 0.450 -0.236 3.970 582 HB3 SER 70 1HB SER 70 -0.070 0.568 5.451 583 HG SER 70 HG SER 70 2.161 -1.025 4.966 584 H ASP 71 H ASP 71 -2.084 -3.024 3.836 585 HA ASP 71 HA ASP 71 -4.069 -2.987 2.742 586 HB2 ASP 71 2HB ASP 71 -4.719 -0.825 4.759 587 HB3 ASP 71 1HB ASP 71 -5.900 -1.550 3.670 588 H VAL 72 H VAL 72 -1.825 -0.935 2.106 589 HA VAL 72 HA VAL 72 -3.188 1.244 0.826 590 HB VAL 72 HB VAL 72 -0.341 0.276 0.436 591 HG11 VAL 72 1HG1 VAL 72 0.103 2.522 -0.429 592 HG12 VAL 72 2HG1 VAL 72 -1.605 2.931 -0.263 593 HG13 VAL 72 3HG1 VAL 72 -1.104 1.690 -1.409 594 HG21 VAL 72 3HG2 VAL 72 0.274 2.059 2.007 595 HG22 VAL 72 1HG2 VAL 72 -0.789 0.873 2.764 596 HG23 VAL 72 2HG2 VAL 72 -1.431 2.433 2.253 597 H GLY 73 H GLY 73 -4.486 0.862 -0.880 598 HA2 GLY 73 2HA GLY 73 -3.661 -1.153 -2.886 599 HA3 GLY 73 1HA GLY 73 -5.323 -0.715 -2.538 600 H SER 74 H SER 74 -5.376 -0.513 -4.931 601 HA SER 74 HA SER 74 -3.930 1.505 -6.297 602 HB2 SER 74 2HB SER 74 -5.581 1.175 -8.115 603 HB3 SER 74 1HB SER 74 -4.961 -0.357 -7.502 604 HG SER 74 HG SER 74 -7.461 0.320 -7.741 605 H GLY 75 H GLY 75 -4.136 3.650 -6.164 606 HA2 GLY 75 2HA GLY 75 -5.271 5.704 -6.247 607 HA3 GLY 75 1HA GLY 75 -6.775 4.876 -5.877 608 H ALA 76 H ALA 76 -4.348 3.879 -3.769 609 HA ALA 76 HA ALA 76 -5.528 5.232 -1.533 610 HB1 ALA 76 3HB ALA 76 -4.622 2.965 -1.336 611 HB2 ALA 76 1HB ALA 76 -3.859 4.068 -0.190 612 HB3 ALA 76 2HB ALA 76 -3.000 3.582 -1.653 613 H LYS 77 H LYS 77 -4.956 7.097 -0.601 614 HA LYS 77 HA LYS 77 -2.749 8.614 -1.764 615 HB2 LYS 77 2HB LYS 77 -5.149 9.368 -0.108 616 HB3 LYS 77 1HB LYS 77 -3.833 10.504 -0.382 617 HG2 LYS 77 2HG LYS 77 -4.208 10.514 -2.729 618 HG3 LYS 77 1HG LYS 77 -5.309 9.141 -2.629 619 HD2 LYS 77 2HD LYS 77 -5.907 11.716 -1.194 620 HD3 LYS 77 1HD LYS 77 -6.305 11.512 -2.901 621 HE2 LYS 77 2HE LYS 77 -7.239 9.693 -0.677 622 HE3 LYS 77 1HE LYS 77 -8.198 10.991 -1.390 623 HZ1 LYS 77 3HZ LYS 77 -8.101 9.870 -3.518 624 HZ2 LYS 77 1HZ LYS 77 -8.733 8.825 -2.344 625 HZ3 LYS 77 2HZ LYS 77 -7.136 8.642 -2.869 626 H LEU 78 H LEU 78 -0.883 8.941 -0.791 627 HA LEU 78 HA LEU 78 -0.601 8.396 2.102 628 HB2 LEU 78 2HB LEU 78 1.502 8.243 -0.072 629 HB3 LEU 78 1HB LEU 78 1.761 7.893 1.626 630 HG LEU 78 HG LEU 78 -0.027 6.305 -0.227 631 HD11 LEU 78 1HD1 LEU 78 2.695 5.645 0.905 632 HD12 LEU 78 2HD1 LEU 78 2.335 6.030 -0.779 633 HD13 LEU 78 3HD1 LEU 78 1.680 4.564 -0.054 634 HD21 LEU 78 3HD2 LEU 78 -0.161 4.706 1.615 635 HD22 LEU 78 1HD2 LEU 78 -0.807 6.276 2.088 636 HD23 LEU 78 2HD2 LEU 78 0.795 5.784 2.632 637 H MET 79 H MET 79 0.956 9.732 3.264 638 HA MET 79 HA MET 79 1.385 12.397 2.054 639 HB2 MET 79 2HB MET 79 -0.144 12.511 3.956 640 HB3 MET 79 1HB MET 79 1.002 11.643 4.966 641 HG2 MET 79 2HG MET 79 2.599 13.541 4.658 642 HG3 MET 79 1HG MET 79 1.311 14.416 3.832 643 HE1 MET 79 3HE MET 79 -0.945 15.198 5.019 644 HE2 MET 79 1HE MET 79 -1.345 14.817 6.696 645 HE3 MET 79 2HE MET 79 -1.257 13.527 5.496 646 H LEU 80 H LEU 80 3.489 12.865 1.644 647 HA LEU 80 HA LEU 80 5.557 11.437 3.183 648 HB2 LEU 80 2HB LEU 80 5.675 11.209 0.739 649 HB3 LEU 80 1HB LEU 80 5.802 12.949 0.576 650 HG LEU 80 HG LEU 80 7.984 12.958 1.617 651 HD11 LEU 80 1HD1 LEU 80 7.644 11.220 3.287 652 HD12 LEU 80 2HD1 LEU 80 9.090 10.893 2.335 653 HD13 LEU 80 3HD1 LEU 80 7.608 9.989 2.025 654 HD21 LEU 80 3HD2 LEU 80 7.883 12.461 -0.781 655 HD22 LEU 80 1HD2 LEU 80 7.810 10.737 -0.424 656 HD23 LEU 80 2HD2 LEU 80 9.254 11.663 -0.011 657 H MET 81 H MET 81 5.896 12.578 4.999 658 HA MET 81 HA MET 81 5.849 15.455 5.055 659 HB2 MET 81 2HB MET 81 5.060 14.119 6.964 660 HB3 MET 81 1HB MET 81 6.674 13.468 7.184 661 HG2 MET 81 2HG MET 81 7.515 15.685 7.734 662 HG3 MET 81 1HG MET 81 5.906 16.365 7.477 663 HE1 MET 81 3HE MET 81 6.361 16.575 11.373 664 HE2 MET 81 1HE MET 81 5.986 17.478 9.905 665 HE3 MET 81 2HE MET 81 7.599 16.806 10.139 666 H ALA 82 H ALA 82 7.501 15.787 3.431 667 HA ALA 82 HA ALA 82 10.140 16.109 4.645 668 HB1 ALA 82 3HB ALA 82 9.760 14.680 2.005 669 HB2 ALA 82 1HB ALA 82 10.253 13.926 3.521 670 HB3 ALA 82 2HB ALA 82 11.306 15.108 2.742 671 H SER 83 H SER 83 11.073 18.000 4.054 672 HA SER 83 HA SER 83 9.513 19.832 2.451 673 HB2 SER 83 2HB SER 83 11.174 21.512 3.155 674 HB3 SER 83 1HB SER 83 10.586 20.582 4.532 675 HG SER 83 HG SER 83 13.077 20.387 3.196 676 H GLN 84 H GLN 84 10.749 17.612 0.982 677 HA GLN 84 HA GLN 84 12.811 18.951 -0.626 678 HB2 GLN 84 2HB GLN 84 11.940 16.052 -0.595 679 HB3 GLN 84 1HB GLN 84 13.253 16.708 -1.562 680 HG2 GLN 84 2HG GLN 84 13.120 16.509 1.440 681 HG3 GLN 84 1HG GLN 84 14.177 15.611 0.353 682 HE21 GLN 84 1HE2 GLN 84 15.892 16.740 -0.680 683 HE22 GLN 84 2HE2 GLN 84 16.503 18.216 -0.022 684 H GLY 85 H GLY 85 12.479 17.471 -3.011 685 HA2 GLY 85 2HA GLY 85 10.851 17.132 -4.762 686 HA3 GLY 85 1HA GLY 85 9.836 18.349 -4.005 Start of MODEL 20 1 H1 MET 1 1H MET 1 7.592 -8.267 -20.612 2 H2 MET 1 2H MET 1 6.831 -9.681 -21.140 3 H3 MET 1 3H MET 1 5.903 -8.388 -20.557 4 HA MET 1 HA MET 1 7.585 -8.329 -22.998 5 HB2 MET 1 2HB MET 1 5.532 -9.801 -23.095 6 HB3 MET 1 1HB MET 1 4.561 -8.367 -22.790 7 HG2 MET 1 2HG MET 1 5.504 -7.364 -24.867 8 HG3 MET 1 1HG MET 1 6.312 -8.899 -25.186 9 HE1 MET 1 3HE MET 1 5.199 -9.172 -27.554 10 HE2 MET 1 1HE MET 1 4.435 -7.594 -27.349 11 HE3 MET 1 2HE MET 1 3.473 -8.980 -27.855 12 H GLY 2 H GLY 2 7.026 -6.373 -24.371 13 HA2 GLY 2 2HA GLY 2 5.521 -4.270 -24.084 14 HA3 GLY 2 1HA GLY 2 6.491 -4.047 -22.639 15 H HIS 3 H HIS 3 7.465 -2.168 -23.195 16 HA HIS 3 HA HIS 3 8.916 -1.964 -25.750 17 HB2 HIS 3 2HB HIS 3 7.237 -0.210 -24.702 18 HB3 HIS 3 1HB HIS 3 8.634 0.267 -23.751 19 HD1 HIS 3 HD1 HIS 3 9.674 2.270 -24.747 20 HD2 HIS 3 HD2 HIS 3 8.154 -0.275 -27.660 21 HE1 HIS 3 HE1 HIS 3 10.211 3.355 -26.943 22 HE2 HIS 3 HE2 HIS 3 9.355 1.771 -28.687 23 H HIS 4 H HIS 4 11.087 -0.400 -25.277 24 HA HIS 4 HA HIS 4 12.909 -1.940 -23.833 25 HB2 HIS 4 2HB HIS 4 14.424 0.026 -23.836 26 HB3 HIS 4 1HB HIS 4 13.741 -0.319 -25.416 27 HD1 HIS 4 HD1 HIS 4 13.181 1.734 -26.616 28 HD2 HIS 4 HD2 HIS 4 12.672 2.200 -22.519 29 HE1 HIS 4 HE1 HIS 4 12.481 4.122 -26.292 30 HE2 HIS 4 HE2 HIS 4 12.381 4.425 -23.798 31 H HIS 5 H HIS 5 13.962 -1.555 -21.748 32 HA HIS 5 HA HIS 5 13.712 -1.623 -19.485 33 HB2 HIS 5 2HB HIS 5 13.428 0.860 -19.680 34 HB3 HIS 5 1HB HIS 5 11.692 0.621 -19.847 35 HD1 HIS 5 HD1 HIS 5 10.368 0.015 -17.720 36 HD2 HIS 5 HD2 HIS 5 14.437 0.535 -17.073 37 HE1 HIS 5 HE1 HIS 5 10.635 0.167 -15.234 38 HE2 HIS 5 HE2 HIS 5 13.074 0.653 -14.880 39 H HIS 6 H HIS 6 12.319 -3.357 -21.117 40 HA HIS 6 HA HIS 6 9.613 -3.730 -20.766 41 HB2 HIS 6 2HB HIS 6 10.092 -6.161 -21.178 42 HB3 HIS 6 1HB HIS 6 10.842 -5.066 -22.334 43 HD1 HIS 6 HD1 HIS 6 13.323 -5.252 -22.621 44 HD2 HIS 6 HD2 HIS 6 11.979 -7.219 -19.217 45 HE1 HIS 6 HE1 HIS 6 15.318 -6.465 -21.718 46 HE2 HIS 6 HE2 HIS 6 14.535 -7.434 -19.535 47 H HIS 7 H HIS 7 8.393 -5.231 -19.449 48 HA HIS 7 HA HIS 7 9.531 -6.031 -16.893 49 HB2 HIS 7 2HB HIS 7 7.854 -4.828 -15.557 50 HB3 HIS 7 1HB HIS 7 8.840 -3.700 -16.481 51 HD1 HIS 7 HD1 HIS 7 5.468 -4.191 -15.560 52 HD2 HIS 7 HD2 HIS 7 7.351 -3.069 -19.091 53 HE1 HIS 7 HE1 HIS 7 3.701 -3.062 -16.933 54 HE2 HIS 7 HE2 HIS 7 4.825 -2.518 -19.115 55 H HIS 8 H HIS 8 8.109 -7.433 -15.661 56 HA HIS 8 HA HIS 8 6.248 -8.927 -17.347 57 HB2 HIS 8 2HB HIS 8 7.923 -10.178 -16.054 58 HB3 HIS 8 1HB HIS 8 7.285 -9.509 -14.556 59 HD1 HIS 8 HD1 HIS 8 5.842 -11.467 -17.502 60 HD2 HIS 8 HD2 HIS 8 5.603 -11.258 -13.358 61 HE1 HIS 8 HE1 HIS 8 4.254 -13.285 -16.828 62 HE2 HIS 8 HE2 HIS 8 4.006 -13.038 -14.336 63 H SER 9 H SER 9 4.056 -9.025 -17.027 64 HA SER 9 HA SER 9 2.775 -6.950 -15.608 65 HB2 SER 9 2HB SER 9 1.643 -9.499 -16.781 66 HB3 SER 9 1HB SER 9 0.657 -8.190 -16.129 67 HG SER 9 HG SER 9 0.807 -7.755 -18.263 68 H HIS 10 H HIS 10 3.333 -6.958 -13.470 69 HA HIS 10 HA HIS 10 2.131 -9.093 -11.811 70 HB2 HIS 10 2HB HIS 10 4.571 -8.935 -11.508 71 HB3 HIS 10 1HB HIS 10 4.429 -7.220 -11.145 72 HD1 HIS 10 HD1 HIS 10 3.931 -10.611 -9.635 73 HD2 HIS 10 HD2 HIS 10 3.568 -6.619 -8.535 74 HE1 HIS 10 HE1 HIS 10 3.641 -10.621 -7.146 75 HE2 HIS 10 HE2 HIS 10 3.625 -8.198 -6.487 76 H SER 11 H SER 11 1.020 -8.369 -9.867 77 HA SER 11 HA SER 11 -0.753 -6.266 -10.192 78 HB2 SER 11 2HB SER 11 -1.116 -8.079 -8.567 79 HB3 SER 11 1HB SER 11 0.194 -7.454 -7.565 80 HG SER 11 HG SER 11 -2.146 -5.985 -8.250 81 H THR 12 H THR 12 -0.025 -4.251 -10.646 82 HA THR 12 HA THR 12 1.684 -2.923 -8.631 83 HB THR 12 HB THR 12 2.251 -1.266 -10.441 84 HG1 THR 12 HG1 THR 12 0.474 -1.853 -11.852 85 HG21 THR 12 3HG2 THR 12 3.054 -4.137 -10.945 86 HG22 THR 12 1HG2 THR 12 3.817 -3.029 -9.803 87 HG23 THR 12 2HG2 THR 12 3.906 -2.713 -11.535 88 H ILE 13 H ILE 13 0.609 -1.593 -7.391 89 HA ILE 13 HA ILE 13 -2.075 -0.751 -8.059 90 HB ILE 13 HB ILE 13 -2.107 0.186 -5.757 91 HG12 ILE 13 2HG1 ILE 13 0.709 -0.948 -5.590 92 HG13 ILE 13 1HG1 ILE 13 0.300 0.762 -5.605 93 HG21 ILE 13 1HG2 ILE 13 -2.010 -1.983 -4.600 94 HG22 ILE 13 2HG2 ILE 13 -1.135 -2.674 -5.968 95 HG23 ILE 13 3HG2 ILE 13 -2.799 -2.121 -6.172 96 HD11 ILE 13 3HD1 ILE 13 -0.895 0.484 -3.484 97 HD12 ILE 13 1HD1 ILE 13 0.802 0.018 -3.364 98 HD13 ILE 13 2HD1 ILE 13 -0.446 -1.223 -3.470 99 H LYS 14 H LYS 14 -2.824 1.370 -8.138 100 HA LYS 14 HA LYS 14 -0.821 3.372 -8.942 101 HB2 LYS 14 2HB LYS 14 -3.813 3.258 -9.411 102 HB3 LYS 14 1HB LYS 14 -2.752 4.535 -9.997 103 HG2 LYS 14 2HG LYS 14 -1.619 3.047 -11.463 104 HG3 LYS 14 1HG LYS 14 -2.379 1.635 -10.727 105 HD2 LYS 14 2HD LYS 14 -3.817 3.795 -12.281 106 HD3 LYS 14 1HD LYS 14 -3.384 2.199 -12.902 107 HE2 LYS 14 2HE LYS 14 -4.783 1.181 -11.113 108 HE3 LYS 14 1HE LYS 14 -5.276 2.801 -10.620 109 HZ1 LYS 14 3HZ LYS 14 -5.813 1.501 -13.233 110 HZ2 LYS 14 1HZ LYS 14 -6.184 3.111 -12.874 111 HZ3 LYS 14 2HZ LYS 14 -6.940 1.862 -12.028 112 H LEU 15 H LEU 15 -0.196 4.630 -7.290 113 HA LEU 15 HA LEU 15 -2.141 5.351 -5.189 114 HB2 LEU 15 2HB LEU 15 0.846 5.735 -4.999 115 HB3 LEU 15 1HB LEU 15 -0.329 5.691 -3.701 116 HG LEU 15 HG LEU 15 -0.666 3.205 -4.383 117 HD11 LEU 15 1HD1 LEU 15 1.403 2.190 -5.319 118 HD12 LEU 15 2HD1 LEU 15 1.991 3.810 -5.684 119 HD13 LEU 15 3HD1 LEU 15 0.532 3.203 -6.465 120 HD21 LEU 15 3HD2 LEU 15 1.912 4.098 -3.083 121 HD22 LEU 15 1HD2 LEU 15 1.155 2.515 -2.917 122 HD23 LEU 15 2HD2 LEU 15 0.351 3.946 -2.276 123 H THR 16 H THR 16 -1.897 7.535 -4.219 124 HA THR 16 HA THR 16 -0.652 9.531 -6.010 125 HB THR 16 HB THR 16 -3.175 10.048 -4.404 126 HG1 THR 16 HG1 THR 16 -2.791 9.317 -7.115 127 HG21 THR 16 3HG2 THR 16 -1.709 11.719 -6.456 128 HG22 THR 16 1HG2 THR 16 -1.795 12.033 -4.723 129 HG23 THR 16 2HG2 THR 16 -3.251 12.140 -5.711 130 H VAL 17 H VAL 17 1.181 9.939 -4.875 131 HA VAL 17 HA VAL 17 1.105 10.171 -1.977 132 HB VAL 17 HB VAL 17 3.444 10.459 -3.880 133 HG11 VAL 17 1HG1 VAL 17 4.826 10.147 -1.853 134 HG12 VAL 17 2HG1 VAL 17 3.366 10.212 -0.866 135 HG13 VAL 17 3HG1 VAL 17 3.866 11.625 -1.796 136 HG21 VAL 17 3HG2 VAL 17 2.505 8.214 -3.963 137 HG22 VAL 17 1HG2 VAL 17 2.545 8.107 -2.201 138 HG23 VAL 17 2HG2 VAL 17 4.052 8.190 -3.115 139 H LYS 18 H LYS 18 0.284 12.042 -1.249 140 HA LYS 18 HA LYS 18 0.628 14.564 -2.527 141 HB2 LYS 18 2HB LYS 18 -0.218 13.956 0.322 142 HB3 LYS 18 1HB LYS 18 -0.413 15.500 -0.500 143 HG2 LYS 18 2HG LYS 18 -1.943 14.491 -2.097 144 HG3 LYS 18 1HG LYS 18 -1.699 12.910 -1.359 145 HD2 LYS 18 2HD LYS 18 -3.767 13.722 -0.530 146 HD3 LYS 18 1HD LYS 18 -2.607 13.893 0.786 147 HE2 LYS 18 2HE LYS 18 -3.285 16.160 -1.086 148 HE3 LYS 18 1HE LYS 18 -4.203 15.840 0.384 149 HZ1 LYS 18 3HZ LYS 18 -2.167 16.129 1.662 150 HZ2 LYS 18 1HZ LYS 18 -2.525 17.514 0.763 151 HZ3 LYS 18 2HZ LYS 18 -1.301 16.464 0.254 152 H PHE 19 H PHE 19 2.842 14.760 -2.844 153 HA PHE 19 HA PHE 19 4.736 14.690 -0.672 154 HB2 PHE 19 2HB PHE 19 5.228 13.954 -3.012 155 HB3 PHE 19 1HB PHE 19 5.083 15.626 -3.534 156 HD1 PHE 19 HD1 PHE 19 6.681 14.795 -0.338 157 HD2 PHE 19 HD2 PHE 19 7.307 15.623 -4.471 158 HE1 PHE 19 HE1 PHE 19 9.084 15.093 0.082 159 HE2 PHE 19 HE2 PHE 19 9.710 15.917 -4.050 160 HZ PHE 19 HZ PHE 19 10.602 15.654 -1.772 161 H GLY 20 H GLY 20 4.243 16.320 0.790 162 HA2 GLY 20 2HA GLY 20 4.036 18.441 1.665 163 HA3 GLY 20 1HA GLY 20 5.174 18.916 0.417 164 H GLY 21 H GLY 21 1.991 17.612 -0.289 165 HA2 GLY 21 2HA GLY 21 0.031 18.938 -0.798 166 HA3 GLY 21 1HA GLY 21 1.091 20.282 -1.194 167 H LYS 22 H LYS 22 2.918 18.462 -2.693 168 HA LYS 22 HA LYS 22 1.736 18.711 -5.277 169 HB2 LYS 22 2HB LYS 22 4.213 17.170 -4.450 170 HB3 LYS 22 1HB LYS 22 3.805 17.675 -6.084 171 HG2 LYS 22 2HG LYS 22 4.223 19.634 -3.837 172 HG3 LYS 22 1HG LYS 22 5.538 19.057 -4.858 173 HD2 LYS 22 2HD LYS 22 3.048 20.386 -5.932 174 HD3 LYS 22 1HD LYS 22 4.531 21.260 -5.543 175 HE2 LYS 22 2HE LYS 22 4.295 18.999 -7.531 176 HE3 LYS 22 1HE LYS 22 4.377 20.712 -7.937 177 HZ1 LYS 22 3HZ LYS 22 6.530 19.651 -8.177 178 HZ2 LYS 22 1HZ LYS 22 6.508 19.155 -6.559 179 HZ3 LYS 22 2HZ LYS 22 6.586 20.798 -6.938 180 H SER 23 H SER 23 0.105 17.387 -5.920 181 HA SER 23 HA SER 23 -0.248 14.723 -4.945 182 HB2 SER 23 2HB SER 23 -2.061 14.578 -6.640 183 HB3 SER 23 1HB SER 23 -2.178 16.035 -5.656 184 HG SER 23 HG SER 23 -1.007 15.906 -8.247 185 H ILE 24 H ILE 24 1.524 13.439 -5.403 186 HA ILE 24 HA ILE 24 2.441 13.222 -8.183 187 HB ILE 24 HB ILE 24 3.630 11.984 -5.690 188 HG12 ILE 24 2HG1 ILE 24 3.736 14.429 -5.566 189 HG13 ILE 24 1HG1 ILE 24 5.341 13.766 -5.853 190 HG21 ILE 24 1HG2 ILE 24 4.237 10.761 -7.701 191 HG22 ILE 24 2HG2 ILE 24 5.633 11.652 -7.093 192 HG23 ILE 24 3HG2 ILE 24 4.740 12.257 -8.489 193 HD11 ILE 24 3HD1 ILE 24 3.549 15.033 -7.912 194 HD12 ILE 24 1HD1 ILE 24 5.144 14.346 -8.222 195 HD13 ILE 24 2HD1 ILE 24 4.979 15.754 -7.174 196 HA PRO 25 HA PRO 25 -0.007 9.357 -8.336 197 HB2 PRO 25 2HB PRO 25 0.355 9.582 -11.232 198 HB3 PRO 25 1HB PRO 25 -1.137 9.636 -10.291 199 HG2 PRO 25 2HG PRO 25 -0.134 11.813 -11.559 200 HG3 PRO 25 1HG PRO 25 -1.058 11.928 -10.049 201 HD2 PRO 25 2HD PRO 25 1.921 12.006 -10.457 202 HD3 PRO 25 1HD PRO 25 0.900 13.031 -9.423 203 H LEU 26 H LEU 26 0.950 7.411 -8.094 204 HA LEU 26 HA LEU 26 3.368 6.779 -9.669 205 HB2 LEU 26 2HB LEU 26 2.977 6.298 -6.709 206 HB3 LEU 26 1HB LEU 26 4.322 5.679 -7.651 207 HG LEU 26 HG LEU 26 3.727 8.614 -7.203 208 HD11 LEU 26 1HD1 LEU 26 5.838 6.848 -5.957 209 HD12 LEU 26 2HD1 LEU 26 4.419 7.511 -5.142 210 HD13 LEU 26 3HD1 LEU 26 5.678 8.592 -5.737 211 HD21 LEU 26 3HD2 LEU 26 4.865 8.177 -9.327 212 HD22 LEU 26 1HD2 LEU 26 6.112 7.263 -8.480 213 HD23 LEU 26 2HD2 LEU 26 5.931 8.994 -8.189 214 H SER 27 H SER 27 3.825 4.484 -9.887 215 HA SER 27 HA SER 27 1.601 2.672 -9.210 216 HB2 SER 27 2HB SER 27 1.780 1.571 -11.409 217 HB3 SER 27 1HB SER 27 1.323 3.266 -11.579 218 HG SER 27 HG SER 27 3.921 2.163 -11.942 219 H VAL 28 H VAL 28 2.543 1.406 -7.712 220 HA VAL 28 HA VAL 28 5.038 -0.005 -8.443 221 HB VAL 28 HB VAL 28 5.838 0.104 -6.129 222 HG11 VAL 28 1HG1 VAL 28 5.239 2.831 -7.291 223 HG12 VAL 28 2HG1 VAL 28 6.627 1.811 -7.666 224 HG13 VAL 28 3HG1 VAL 28 6.447 2.492 -6.050 225 HG21 VAL 28 3HG2 VAL 28 4.771 1.574 -4.475 226 HG22 VAL 28 1HG2 VAL 28 3.688 0.278 -4.979 227 HG23 VAL 28 2HG2 VAL 28 3.465 1.909 -5.611 228 H SER 29 H SER 29 5.374 -1.990 -6.992 229 HA SER 29 HA SER 29 2.835 -3.433 -6.864 230 HB2 SER 29 2HB SER 29 4.226 -5.463 -6.633 231 HB3 SER 29 1HB SER 29 4.675 -4.518 -8.050 232 HG SER 29 HG SER 29 6.061 -3.979 -5.682 233 HA PRO 30 HA PRO 30 2.383 -2.878 -2.490 234 HB2 PRO 30 2HB PRO 30 0.812 -5.079 -1.951 235 HB3 PRO 30 1HB PRO 30 0.209 -3.568 -2.641 236 HG2 PRO 30 2HG PRO 30 0.969 -6.113 -4.032 237 HG3 PRO 30 1HG PRO 30 -0.436 -5.063 -4.308 238 HD2 PRO 30 2HD PRO 30 1.695 -4.979 -5.929 239 HD3 PRO 30 1HD PRO 30 0.811 -3.498 -5.501 240 H ASP 31 H ASP 31 3.828 -5.710 -3.840 241 HA ASP 31 HA ASP 31 4.533 -7.032 -1.416 242 HB2 ASP 31 2HB ASP 31 5.724 -7.223 -4.191 243 HB3 ASP 31 1HB ASP 31 6.061 -8.339 -2.871 244 H CYS 32 H CYS 32 5.640 -4.137 -2.669 245 HA CYS 32 HA CYS 32 8.410 -4.413 -1.820 246 HB2 CYS 32 2HB CYS 32 6.906 -1.990 -2.843 247 HB3 CYS 32 1HB CYS 32 8.643 -2.074 -2.566 248 HG CYS 32 HG CYS 32 9.246 -2.932 -4.896 249 H THR 33 H THR 33 9.356 -3.372 -0.058 250 HA THR 33 HA THR 33 7.638 -2.689 2.155 251 HB THR 33 HB THR 33 9.724 -2.223 3.401 252 HG1 THR 33 HG1 THR 33 11.569 -3.143 1.738 253 HG21 THR 33 3HG2 THR 33 10.653 -4.496 3.351 254 HG22 THR 33 1HG2 THR 33 9.812 -4.810 1.831 255 HG23 THR 33 2HG2 THR 33 8.890 -4.525 3.307 256 H VAL 34 H VAL 34 7.516 -0.633 3.218 257 HA VAL 34 HA VAL 34 7.422 1.611 1.507 258 HB VAL 34 HB VAL 34 6.979 2.963 3.477 259 HG11 VAL 34 1HG1 VAL 34 5.628 0.259 3.613 260 HG12 VAL 34 2HG1 VAL 34 5.144 1.625 2.607 261 HG13 VAL 34 3HG1 VAL 34 5.029 1.740 4.362 262 HG21 VAL 34 3HG2 VAL 34 7.067 2.006 5.740 263 HG22 VAL 34 1HG2 VAL 34 8.661 2.033 4.986 264 HG23 VAL 34 2HG2 VAL 34 7.757 0.520 5.084 265 H LYS 35 H LYS 35 9.986 0.301 3.480 266 HA LYS 35 HA LYS 35 11.773 2.501 3.314 267 HB2 LYS 35 2HB LYS 35 12.115 0.558 4.825 268 HB3 LYS 35 1HB LYS 35 12.432 -0.456 3.422 269 HG2 LYS 35 2HG LYS 35 14.370 1.028 2.871 270 HG3 LYS 35 1HG LYS 35 14.090 1.874 4.393 271 HD2 LYS 35 2HD LYS 35 15.838 0.246 4.710 272 HD3 LYS 35 1HD LYS 35 14.405 -0.284 5.593 273 HE2 LYS 35 2HE LYS 35 15.406 -2.169 4.446 274 HE3 LYS 35 1HE LYS 35 13.847 -1.795 3.716 275 HZ1 LYS 35 3HZ LYS 35 16.484 -0.952 2.632 276 HZ2 LYS 35 1HZ LYS 35 14.979 -0.676 1.914 277 HZ3 LYS 35 2HZ LYS 35 15.566 -2.252 2.058 278 H ASP 36 H ASP 36 11.067 -0.224 1.151 279 HA ASP 36 HA ASP 36 13.068 0.380 -0.768 280 HB2 ASP 36 2HB ASP 36 11.782 -1.806 -0.547 281 HB3 ASP 36 1HB ASP 36 10.441 -0.997 -1.354 282 H LEU 37 H LEU 37 9.772 1.531 -0.273 283 HA LEU 37 HA LEU 37 9.515 3.080 -2.599 284 HB2 LEU 37 2HB LEU 37 8.461 3.560 0.189 285 HB3 LEU 37 1HB LEU 37 8.035 4.565 -1.185 286 HG LEU 37 HG LEU 37 7.418 1.619 -0.869 287 HD11 LEU 37 1HD1 LEU 37 5.618 4.044 -0.888 288 HD12 LEU 37 2HD1 LEU 37 6.017 3.052 0.513 289 HD13 LEU 37 3HD1 LEU 37 5.087 2.364 -0.815 290 HD21 LEU 37 3HD2 LEU 37 7.895 2.136 -3.201 291 HD22 LEU 37 1HD2 LEU 37 6.776 3.499 -3.146 292 HD23 LEU 37 2HD2 LEU 37 6.169 1.852 -2.974 293 H LYS 38 H LYS 38 11.108 3.851 0.502 294 HA LYS 38 HA LYS 38 12.034 6.428 -0.131 295 HB2 LYS 38 2HB LYS 38 13.472 4.268 1.443 296 HB3 LYS 38 1HB LYS 38 13.875 5.978 1.464 297 HG2 LYS 38 2HG LYS 38 11.842 6.525 2.591 298 HG3 LYS 38 1HG LYS 38 11.213 4.888 2.370 299 HD2 LYS 38 2HD LYS 38 13.013 4.005 3.794 300 HD3 LYS 38 1HD LYS 38 13.642 5.637 4.016 301 HE2 LYS 38 2HE LYS 38 10.826 4.914 4.785 302 HE3 LYS 38 1HE LYS 38 12.181 4.640 5.877 303 HZ1 LYS 38 3HZ LYS 38 11.391 7.264 4.732 304 HZ2 LYS 38 1HZ LYS 38 12.693 7.000 5.780 305 HZ3 LYS 38 2HZ LYS 38 11.109 6.749 6.317 306 H SER 39 H SER 39 13.312 3.233 -0.920 307 HA SER 39 HA SER 39 15.710 4.114 -2.198 308 HB2 SER 39 2HB SER 39 15.517 1.858 -1.269 309 HB3 SER 39 1HB SER 39 14.226 1.476 -2.404 310 HG SER 39 HG SER 39 15.651 1.124 -3.913 311 H GLN 40 H GLN 40 12.432 3.685 -3.297 312 HA GLN 40 HA GLN 40 13.162 3.855 -6.115 313 HB2 GLN 40 2HB GLN 40 10.506 3.606 -4.698 314 HB3 GLN 40 1HB GLN 40 10.632 3.852 -6.435 315 HG2 GLN 40 2HG GLN 40 11.883 1.769 -6.655 316 HG3 GLN 40 1HG GLN 40 11.802 1.522 -4.912 317 HE21 GLN 40 1HE2 GLN 40 9.073 2.467 -4.684 318 HE22 GLN 40 2HE2 GLN 40 8.071 1.236 -5.354 319 H LEU 41 H LEU 41 11.731 5.923 -3.632 320 HA LEU 41 HA LEU 41 11.124 8.052 -5.489 321 HB2 LEU 41 2HB LEU 41 10.964 7.841 -2.490 322 HB3 LEU 41 1HB LEU 41 10.592 9.325 -3.347 323 HG LEU 41 HG LEU 41 9.149 6.694 -3.739 324 HD11 LEU 41 1HD1 LEU 41 8.710 7.608 -1.527 325 HD12 LEU 41 2HD1 LEU 41 7.287 7.763 -2.556 326 HD13 LEU 41 3HD1 LEU 41 8.300 9.172 -2.234 327 HD21 LEU 41 3HD2 LEU 41 9.136 8.085 -5.743 328 HD22 LEU 41 1HD2 LEU 41 8.560 9.463 -4.802 329 HD23 LEU 41 2HD2 LEU 41 7.535 8.041 -5.005 330 H GLN 42 H GLN 42 13.832 7.228 -3.440 331 HA GLN 42 HA GLN 42 14.971 9.755 -3.089 332 HB2 GLN 42 2HB GLN 42 15.759 7.729 -1.922 333 HB3 GLN 42 1HB GLN 42 16.451 7.139 -3.428 334 HG2 GLN 42 2HG GLN 42 17.927 9.124 -3.489 335 HG3 GLN 42 1HG GLN 42 17.270 9.624 -1.933 336 HE21 GLN 42 1HE2 GLN 42 19.304 9.516 -0.975 337 HE22 GLN 42 2HE2 GLN 42 20.064 8.013 -0.604 338 HA PRO 43 HA PRO 43 17.362 9.255 -7.298 339 HB2 PRO 43 2HB PRO 43 16.265 7.568 -9.140 340 HB3 PRO 43 1HB PRO 43 17.531 7.077 -8.009 341 HG2 PRO 43 2HG PRO 43 14.565 6.661 -7.826 342 HG3 PRO 43 1HG PRO 43 15.877 5.511 -7.496 343 HD2 PRO 43 2HD PRO 43 14.586 6.810 -5.513 344 HD3 PRO 43 1HD PRO 43 16.314 6.416 -5.405 345 H ILE 44 H ILE 44 13.974 9.359 -6.794 346 HA ILE 44 HA ILE 44 13.418 10.826 -9.264 347 HB ILE 44 HB ILE 44 11.581 10.019 -6.996 348 HG12 ILE 44 2HG1 ILE 44 11.897 8.876 -9.788 349 HG13 ILE 44 1HG1 ILE 44 12.443 8.111 -8.300 350 HG21 ILE 44 1HG2 ILE 44 10.734 12.022 -8.069 351 HG22 ILE 44 2HG2 ILE 44 9.737 10.641 -8.522 352 HG23 ILE 44 3HG2 ILE 44 10.920 11.285 -9.659 353 HD11 ILE 44 3HD1 ILE 44 10.384 7.113 -9.066 354 HD12 ILE 44 1HD1 ILE 44 9.588 8.686 -9.062 355 HD13 ILE 44 2HD1 ILE 44 10.117 7.958 -7.542 356 H THR 45 H THR 45 13.369 11.358 -5.755 357 HA THR 45 HA THR 45 12.764 14.210 -6.156 358 HB THR 45 HB THR 45 12.208 14.243 -3.755 359 HG1 THR 45 HG1 THR 45 12.264 11.482 -3.496 360 HG21 THR 45 3HG2 THR 45 10.445 13.676 -5.377 361 HG22 THR 45 1HG2 THR 45 10.205 12.826 -3.851 362 HG23 THR 45 2HG2 THR 45 10.871 11.970 -5.243 363 H ASN 46 H ASN 46 15.356 12.142 -5.307 364 HA ASN 46 HA ASN 46 17.504 12.478 -4.678 365 HB2 ASN 46 2HB ASN 46 16.827 15.326 -5.421 366 HB3 ASN 46 1HB ASN 46 18.442 14.823 -4.930 367 HD21 ASN 46 1HD2 ASN 46 19.296 15.366 -6.938 368 HD22 ASN 46 2HD2 ASN 46 19.013 14.410 -8.345 369 H VAL 47 H VAL 47 15.186 12.886 -2.692 370 HA VAL 47 HA VAL 47 16.681 14.317 -0.598 371 HB VAL 47 HB VAL 47 14.304 14.952 -0.941 372 HG11 VAL 47 1HG1 VAL 47 13.410 12.779 -1.584 373 HG12 VAL 47 2HG1 VAL 47 12.517 13.449 -0.222 374 HG13 VAL 47 3HG1 VAL 47 13.696 12.164 0.042 375 HG21 VAL 47 3HG2 VAL 47 14.882 13.698 1.749 376 HG22 VAL 47 1HG2 VAL 47 13.649 14.918 1.424 377 HG23 VAL 47 2HG2 VAL 47 15.357 15.318 1.234 378 H LEU 48 H LEU 48 17.035 13.336 1.475 379 HA LEU 48 HA LEU 48 17.973 10.655 1.261 380 HB2 LEU 48 2HB LEU 48 17.700 12.421 3.701 381 HB3 LEU 48 1HB LEU 48 18.611 10.923 3.632 382 HG LEU 48 HG LEU 48 19.229 13.441 2.070 383 HD11 LEU 48 1HD1 LEU 48 20.647 12.176 4.419 384 HD12 LEU 48 2HD1 LEU 48 19.728 13.681 4.438 385 HD13 LEU 48 3HD1 LEU 48 21.217 13.570 3.501 386 HD21 LEU 48 3HD2 LEU 48 20.706 10.806 2.193 387 HD22 LEU 48 1HD2 LEU 48 21.290 12.272 1.404 388 HD23 LEU 48 2HD2 LEU 48 19.846 11.460 0.798 389 HA PRO 49 HA PRO 49 14.536 8.136 2.584 390 HB2 PRO 49 2HB PRO 49 15.924 6.433 4.320 391 HB3 PRO 49 1HB PRO 49 15.736 6.203 2.579 392 HG2 PRO 49 2HG PRO 49 18.024 7.380 4.104 393 HG3 PRO 49 1HG PRO 49 18.050 6.325 2.678 394 HD2 PRO 49 2HD PRO 49 18.516 8.948 2.453 395 HD3 PRO 49 1HD PRO 49 17.575 8.084 1.218 396 H ARG 50 H ARG 50 16.650 9.642 4.933 397 HA ARG 50 HA ARG 50 15.070 9.300 7.252 398 HB2 ARG 50 2HB ARG 50 17.430 9.988 7.307 399 HB3 ARG 50 1HB ARG 50 17.013 11.507 6.528 400 HG2 ARG 50 2HG ARG 50 15.732 12.190 8.473 401 HG3 ARG 50 1HG ARG 50 16.037 10.633 9.247 402 HD2 ARG 50 2HD ARG 50 18.110 12.707 8.512 403 HD3 ARG 50 1HD ARG 50 17.539 12.331 10.139 404 HE ARG 50 HE ARG 50 18.538 9.990 8.942 405 HH11 ARG 50 1HH1 ARG 50 19.680 12.985 10.233 406 HH12 ARG 50 2HH1 ARG 50 21.227 12.327 10.642 407 HH21 ARG 50 1HH2 ARG 50 20.509 9.183 9.479 408 HH22 ARG 50 2HH2 ARG 50 21.689 10.210 10.225 409 H GLY 51 H GLY 51 15.214 11.943 4.859 410 HA2 GLY 51 2HA GLY 51 13.099 13.458 6.062 411 HA3 GLY 51 1HA GLY 51 13.791 13.715 4.467 412 H GLN 52 H GLN 52 13.245 10.916 3.659 413 HA GLN 52 HA GLN 52 10.636 11.261 2.600 414 HB2 GLN 52 2HB GLN 52 12.454 8.846 2.668 415 HB3 GLN 52 1HB GLN 52 10.927 8.894 1.796 416 HG2 GLN 52 2HG GLN 52 11.765 10.745 0.429 417 HG3 GLN 52 1HG GLN 52 13.299 10.689 1.295 418 HE21 GLN 52 1HE2 GLN 52 14.750 9.044 0.828 419 HE22 GLN 52 2HE2 GLN 52 14.556 7.988 -0.523 420 H LYS 53 H LYS 53 9.402 11.610 4.541 421 HA LYS 53 HA LYS 53 8.855 9.252 6.199 422 HB2 LYS 53 2HB LYS 53 8.045 12.157 6.445 423 HB3 LYS 53 1HB LYS 53 7.470 10.898 7.532 424 HG2 LYS 53 2HG LYS 53 9.657 10.484 8.353 425 HG3 LYS 53 1HG LYS 53 10.393 11.486 7.102 426 HD2 LYS 53 2HD LYS 53 9.363 13.474 8.078 427 HD3 LYS 53 1HD LYS 53 8.567 12.481 9.300 428 HE2 LYS 53 2HE LYS 53 10.585 13.582 10.181 429 HE3 LYS 53 1HE LYS 53 10.730 11.825 10.211 430 HZ1 LYS 53 3HZ LYS 53 12.755 12.853 9.421 431 HZ2 LYS 53 1HZ LYS 53 11.920 13.633 8.174 432 HZ3 LYS 53 2HZ LYS 53 12.051 11.949 8.182 433 H LEU 54 H LEU 54 7.501 7.890 5.182 434 HA LEU 54 HA LEU 54 5.253 8.804 3.601 435 HB2 LEU 54 2HB LEU 54 6.132 6.027 4.419 436 HB3 LEU 54 1HB LEU 54 4.816 6.369 3.310 437 HG LEU 54 HG LEU 54 7.685 7.186 2.812 438 HD11 LEU 54 1HD1 LEU 54 7.515 4.758 2.871 439 HD12 LEU 54 2HD1 LEU 54 7.778 5.333 1.226 440 HD13 LEU 54 3HD1 LEU 54 6.170 4.810 1.732 441 HD21 LEU 54 3HD2 LEU 54 6.058 8.568 1.643 442 HD22 LEU 54 1HD2 LEU 54 5.260 7.128 1.008 443 HD23 LEU 54 2HD2 LEU 54 6.907 7.520 0.504 444 H ILE 55 H ILE 55 3.333 9.314 4.460 445 HA ILE 55 HA ILE 55 2.463 7.971 6.942 446 HB ILE 55 HB ILE 55 2.120 10.909 6.286 447 HG12 ILE 55 2HG1 ILE 55 3.794 9.548 8.425 448 HG13 ILE 55 1HG1 ILE 55 4.425 10.290 6.960 449 HG21 ILE 55 1HG2 ILE 55 1.167 11.074 8.569 450 HG22 ILE 55 2HG2 ILE 55 1.219 9.316 8.693 451 HG23 ILE 55 3HG2 ILE 55 0.186 10.084 7.488 452 HD11 ILE 55 3HD1 ILE 55 3.584 12.466 7.732 453 HD12 ILE 55 1HD1 ILE 55 4.755 11.749 8.839 454 HD13 ILE 55 2HD1 ILE 55 3.032 11.701 9.223 455 H PHE 56 H PHE 56 0.457 7.154 6.921 456 HA PHE 56 HA PHE 56 -1.470 8.030 4.859 457 HB2 PHE 56 2HB PHE 56 -0.410 5.963 4.076 458 HB3 PHE 56 1HB PHE 56 -0.788 5.167 5.597 459 HD1 PHE 56 HD1 PHE 56 -2.656 7.094 2.975 460 HD2 PHE 56 HD2 PHE 56 -2.517 3.659 5.493 461 HE1 PHE 56 HE1 PHE 56 -4.779 6.304 2.013 462 HE2 PHE 56 HE2 PHE 56 -4.640 2.869 4.536 463 HZ PHE 56 HZ PHE 56 -5.774 4.190 2.792 464 H LYS 57 H LYS 57 -3.494 8.386 5.627 465 HA LYS 57 HA LYS 57 -5.216 8.675 7.090 466 HB2 LYS 57 2HB LYS 57 -4.245 5.980 8.065 467 HB3 LYS 57 1HB LYS 57 -5.706 6.750 8.666 468 HG2 LYS 57 2HG LYS 57 -5.175 5.889 5.827 469 HG3 LYS 57 1HG LYS 57 -6.250 5.103 6.984 470 HD2 LYS 57 2HD LYS 57 -7.570 7.236 7.083 471 HD3 LYS 57 1HD LYS 57 -6.561 7.856 5.775 472 HE2 LYS 57 2HE LYS 57 -8.595 7.013 4.829 473 HE3 LYS 57 1HE LYS 57 -7.285 5.919 4.384 474 HZ1 LYS 57 3HZ LYS 57 -7.985 4.402 6.109 475 HZ2 LYS 57 1HZ LYS 57 -9.292 4.745 5.094 476 HZ3 LYS 57 2HZ LYS 57 -9.194 5.471 6.617 477 H GLY 58 H GLY 58 -2.406 9.553 7.877 478 HA2 GLY 58 2HA GLY 58 -1.669 10.864 9.668 479 HA3 GLY 58 1HA GLY 58 -3.038 10.300 10.617 480 H LYS 59 H LYS 59 -1.431 7.729 9.180 481 HA LYS 59 HA LYS 59 0.120 7.159 11.629 482 HB2 LYS 59 2HB LYS 59 -1.672 5.542 11.207 483 HB3 LYS 59 1HB LYS 59 -1.070 5.269 9.577 484 HG2 LYS 59 2HG LYS 59 1.078 4.445 10.637 485 HG3 LYS 59 1HG LYS 59 0.228 4.482 12.183 486 HD2 LYS 59 2HD LYS 59 -0.559 2.870 9.746 487 HD3 LYS 59 1HD LYS 59 0.181 2.241 11.219 488 HE2 LYS 59 2HE LYS 59 -1.781 2.936 12.507 489 HE3 LYS 59 1HE LYS 59 -2.520 3.581 11.041 490 HZ1 LYS 59 3HZ LYS 59 -3.374 1.387 11.588 491 HZ2 LYS 59 1HZ LYS 59 -1.821 0.729 11.498 492 HZ3 LYS 59 2HZ LYS 59 -2.555 1.356 10.112 493 H VAL 60 H VAL 60 2.285 7.359 11.385 494 HA VAL 60 HA VAL 60 3.582 7.352 8.840 495 HB VAL 60 HB VAL 60 4.555 8.590 10.697 496 HG11 VAL 60 1HG1 VAL 60 3.888 7.160 12.552 497 HG12 VAL 60 2HG1 VAL 60 5.626 7.458 12.596 498 HG13 VAL 60 3HG1 VAL 60 5.011 5.909 12.016 499 HG21 VAL 60 3HG2 VAL 60 6.887 7.855 10.494 500 HG22 VAL 60 1HG2 VAL 60 6.062 7.815 8.936 501 HG23 VAL 60 2HG2 VAL 60 6.348 6.316 9.823 502 H LEU 61 H LEU 61 4.341 5.677 7.665 503 HA LEU 61 HA LEU 61 3.708 3.007 8.532 504 HB2 LEU 61 2HB LEU 61 4.944 4.068 5.992 505 HB3 LEU 61 1HB LEU 61 4.677 2.361 6.279 506 HG LEU 61 HG LEU 61 2.881 3.135 4.920 507 HD11 LEU 61 1HD1 LEU 61 0.926 2.657 6.279 508 HD12 LEU 61 2HD1 LEU 61 1.863 2.914 7.752 509 HD13 LEU 61 3HD1 LEU 61 2.251 1.565 6.683 510 HD21 LEU 61 3HD2 LEU 61 1.412 4.986 5.530 511 HD22 LEU 61 1HD2 LEU 61 3.078 5.529 5.346 512 HD23 LEU 61 2HD2 LEU 61 2.395 5.312 6.957 513 H VAL 62 H VAL 62 5.010 1.430 9.246 514 HA VAL 62 HA VAL 62 7.636 2.011 10.169 515 HB VAL 62 HB VAL 62 6.283 -0.688 9.893 516 HG11 VAL 62 1HG1 VAL 62 8.638 0.148 11.597 517 HG12 VAL 62 2HG1 VAL 62 8.705 -0.886 10.168 518 HG13 VAL 62 3HG1 VAL 62 7.859 -1.435 11.616 519 HG21 VAL 62 3HG2 VAL 62 5.695 -0.404 12.267 520 HG22 VAL 62 1HG2 VAL 62 4.953 0.830 11.252 521 HG23 VAL 62 2HG2 VAL 62 6.365 1.227 12.231 522 H GLU 63 H GLU 63 9.573 1.730 9.218 523 HA GLU 63 HA GLU 63 9.853 1.555 6.479 524 HB2 GLU 63 2HB GLU 63 11.921 0.943 8.598 525 HB3 GLU 63 1HB GLU 63 12.276 1.256 6.904 526 HG2 GLU 63 2HG GLU 63 11.359 3.505 7.108 527 HG3 GLU 63 1HG GLU 63 10.952 3.197 8.794 528 H THR 64 H THR 64 9.928 -1.112 8.786 529 HA THR 64 HA THR 64 10.965 -3.017 6.871 530 HB THR 64 HB THR 64 10.580 -4.708 8.615 531 HG1 THR 64 HG1 THR 64 9.904 -3.314 10.718 532 HG21 THR 64 3HG2 THR 64 11.838 -2.160 9.657 533 HG22 THR 64 1HG2 THR 64 12.644 -3.411 8.712 534 HG23 THR 64 2HG2 THR 64 12.075 -3.766 10.341 535 H SER 65 H SER 65 7.883 -1.733 7.436 536 HA SER 65 HA SER 65 6.370 -4.119 6.748 537 HB2 SER 65 2HB SER 65 5.478 -1.254 7.184 538 HB3 SER 65 1HB SER 65 4.389 -2.606 6.888 539 HG SER 65 HG SER 65 6.054 -3.244 8.890 540 H THR 66 H THR 66 5.020 -4.321 4.897 541 HA THR 66 HA THR 66 5.955 -2.845 2.525 542 HB THR 66 HB THR 66 5.036 -4.622 1.173 543 HG1 THR 66 HG1 THR 66 4.086 -6.480 2.438 544 HG21 THR 66 3HG2 THR 66 6.491 -5.797 3.553 545 HG22 THR 66 1HG2 THR 66 7.243 -5.089 2.123 546 HG23 THR 66 2HG2 THR 66 6.303 -6.575 1.983 547 H LEU 67 H LEU 67 4.241 -2.432 0.814 548 HA LEU 67 HA LEU 67 2.086 -0.911 1.827 549 HB2 LEU 67 2HB LEU 67 2.544 -2.080 -0.921 550 HB3 LEU 67 1HB LEU 67 1.200 -1.023 -0.546 551 HG LEU 67 HG LEU 67 2.861 0.302 -1.615 552 HD11 LEU 67 1HD1 LEU 67 1.743 1.378 0.258 553 HD12 LEU 67 2HD1 LEU 67 3.391 1.974 0.072 554 HD13 LEU 67 3HD1 LEU 67 3.009 0.821 1.350 555 HD21 LEU 67 3HD2 LEU 67 5.165 0.476 -0.874 556 HD22 LEU 67 1HD2 LEU 67 4.776 -1.196 -1.274 557 HD23 LEU 67 2HD2 LEU 67 4.864 -0.693 0.414 558 H LYS 68 H LYS 68 2.272 -4.237 0.634 559 HA LYS 68 HA LYS 68 -0.444 -4.921 0.776 560 HB2 LYS 68 2HB LYS 68 1.269 -6.342 -0.297 561 HB3 LYS 68 1HB LYS 68 1.974 -6.684 1.278 562 HG2 LYS 68 2HG LYS 68 -0.123 -7.772 1.964 563 HG3 LYS 68 1HG LYS 68 -0.793 -7.463 0.362 564 HD2 LYS 68 2HD LYS 68 1.006 -8.837 -0.633 565 HD3 LYS 68 1HD LYS 68 1.630 -9.166 0.986 566 HE2 LYS 68 2HE LYS 68 -0.538 -10.206 1.574 567 HE3 LYS 68 1HE LYS 68 -1.089 -9.939 -0.080 568 HZ1 LYS 68 3HZ LYS 68 0.667 -11.379 -0.871 569 HZ2 LYS 68 1HZ LYS 68 -0.281 -12.195 0.266 570 HZ3 LYS 68 2HZ LYS 68 1.239 -11.605 0.704 571 H GLN 69 H GLN 69 2.100 -5.067 3.265 572 HA GLN 69 HA GLN 69 0.464 -6.093 5.349 573 HB2 GLN 69 2HB GLN 69 2.992 -4.430 5.480 574 HB3 GLN 69 1HB GLN 69 2.241 -5.201 6.869 575 HG2 GLN 69 2HG GLN 69 2.593 -7.395 5.848 576 HG3 GLN 69 1HG GLN 69 3.338 -6.623 4.450 577 HE21 GLN 69 1HE2 GLN 69 5.290 -7.676 4.759 578 HE22 GLN 69 2HE2 GLN 69 6.375 -7.265 6.042 579 H SER 70 H SER 70 1.104 -2.844 4.190 580 HA SER 70 HA SER 70 -0.270 -1.553 6.388 581 HB2 SER 70 2HB SER 70 0.706 -0.377 3.768 582 HB3 SER 70 1HB SER 70 0.208 0.530 5.198 583 HG SER 70 HG SER 70 2.519 -1.016 4.774 584 H ASP 71 H ASP 71 -1.335 -3.187 3.709 585 HA ASP 71 HA ASP 71 -3.316 -3.402 2.633 586 HB2 ASP 71 2HB ASP 71 -4.288 -1.606 4.859 587 HB3 ASP 71 1HB ASP 71 -5.353 -2.331 3.658 588 H VAL 72 H VAL 72 -1.436 -1.190 1.966 589 HA VAL 72 HA VAL 72 -3.140 0.903 0.894 590 HB VAL 72 HB VAL 72 -0.170 0.429 0.512 591 HG11 VAL 72 1HG1 VAL 72 -0.104 2.765 -0.261 592 HG12 VAL 72 2HG1 VAL 72 -1.864 2.842 -0.151 593 HG13 VAL 72 3HG1 VAL 72 -1.099 1.752 -1.308 594 HG21 VAL 72 3HG2 VAL 72 -0.749 0.871 2.852 595 HG22 VAL 72 1HG2 VAL 72 -1.616 2.329 2.368 596 HG23 VAL 72 2HG2 VAL 72 0.133 2.227 2.150 597 H GLY 73 H GLY 73 -4.123 0.788 -1.033 598 HA2 GLY 73 2HA GLY 73 -2.910 -0.851 -3.176 599 HA3 GLY 73 1HA GLY 73 -4.606 -1.054 -2.765 600 H SER 74 H SER 74 -4.543 -0.539 -5.225 601 HA SER 74 HA SER 74 -4.082 2.032 -6.204 602 HB2 SER 74 2HB SER 74 -6.134 -0.015 -7.081 603 HB3 SER 74 1HB SER 74 -5.782 1.463 -7.975 604 HG SER 74 HG SER 74 -4.616 -0.572 -8.564 605 H GLY 75 H GLY 75 -4.988 3.931 -5.830 606 HA2 GLY 75 2HA GLY 75 -6.936 5.355 -5.682 607 HA3 GLY 75 1HA GLY 75 -7.787 4.048 -4.875 608 H ALA 76 H ALA 76 -5.083 3.700 -3.325 609 HA ALA 76 HA ALA 76 -5.844 5.328 -1.073 610 HB1 ALA 76 3HB ALA 76 -4.975 3.066 -0.741 611 HB2 ALA 76 1HB ALA 76 -3.962 4.257 0.074 612 HB3 ALA 76 2HB ALA 76 -3.433 3.544 -1.452 613 H LYS 77 H LYS 77 -5.375 7.440 -1.026 614 HA LYS 77 HA LYS 77 -3.040 8.470 -2.439 615 HB2 LYS 77 2HB LYS 77 -5.100 10.100 -0.940 616 HB3 LYS 77 1HB LYS 77 -4.025 10.627 -2.233 617 HG2 LYS 77 2HG LYS 77 -5.247 9.085 -3.781 618 HG3 LYS 77 1HG LYS 77 -6.388 8.765 -2.477 619 HD2 LYS 77 2HD LYS 77 -7.470 10.422 -3.684 620 HD3 LYS 77 1HD LYS 77 -6.667 11.351 -2.417 621 HE2 LYS 77 2HE LYS 77 -6.348 12.487 -4.504 622 HE3 LYS 77 1HE LYS 77 -4.803 11.797 -4.015 623 HZ1 LYS 77 3HZ LYS 77 -5.173 9.965 -5.563 624 HZ2 LYS 77 1HZ LYS 77 -5.232 11.451 -6.371 625 HZ3 LYS 77 2HZ LYS 77 -6.660 10.624 -6.018 626 H LEU 78 H LEU 78 -1.172 8.465 -1.379 627 HA LEU 78 HA LEU 78 -1.069 8.441 1.526 628 HB2 LEU 78 2HB LEU 78 1.204 8.342 -0.467 629 HB3 LEU 78 1HB LEU 78 1.299 7.963 1.243 630 HG LEU 78 HG LEU 78 -0.200 6.372 -0.853 631 HD11 LEU 78 1HD1 LEU 78 2.304 5.734 0.712 632 HD12 LEU 78 2HD1 LEU 78 2.220 6.126 -1.006 633 HD13 LEU 78 3HD1 LEU 78 1.473 4.647 -0.402 634 HD21 LEU 78 3HD2 LEU 78 0.114 5.873 2.112 635 HD22 LEU 78 1HD2 LEU 78 -0.581 4.739 0.951 636 HD23 LEU 78 2HD2 LEU 78 -1.381 6.278 1.268 637 H MET 79 H MET 79 0.895 9.729 2.483 638 HA MET 79 HA MET 79 1.204 12.365 1.208 639 HB2 MET 79 2HB MET 79 -0.495 12.619 2.959 640 HB3 MET 79 1HB MET 79 0.595 11.912 4.145 641 HG2 MET 79 2HG MET 79 2.133 13.798 3.850 642 HG3 MET 79 1HG MET 79 1.037 14.503 2.663 643 HE1 MET 79 3HE MET 79 1.564 13.549 6.437 644 HE2 MET 79 1HE MET 79 0.115 12.638 6.016 645 HE3 MET 79 2HE MET 79 0.008 13.995 7.138 646 H LEU 80 H LEU 80 3.290 12.948 1.039 647 HA LEU 80 HA LEU 80 5.280 11.500 2.664 648 HB2 LEU 80 2HB LEU 80 5.450 11.253 0.212 649 HB3 LEU 80 1HB LEU 80 5.653 12.988 0.057 650 HG LEU 80 HG LEU 80 7.796 12.884 1.215 651 HD11 LEU 80 1HD1 LEU 80 7.283 9.918 1.444 652 HD12 LEU 80 2HD1 LEU 80 7.325 11.076 2.773 653 HD13 LEU 80 3HD1 LEU 80 8.791 10.735 1.855 654 HD21 LEU 80 3HD2 LEU 80 7.782 12.530 -1.208 655 HD22 LEU 80 1HD2 LEU 80 7.599 10.792 -0.960 656 HD23 LEU 80 2HD2 LEU 80 9.074 11.610 -0.439 657 H MET 81 H MET 81 5.837 12.615 4.425 658 HA MET 81 HA MET 81 5.811 15.534 4.406 659 HB2 MET 81 2HB MET 81 4.764 14.349 6.286 660 HB3 MET 81 1HB MET 81 6.297 13.576 6.667 661 HG2 MET 81 2HG MET 81 7.273 15.718 7.247 662 HG3 MET 81 1HG MET 81 5.792 16.549 6.771 663 HE1 MET 81 3HE MET 81 3.533 14.620 7.897 664 HE2 MET 81 1HE MET 81 3.501 16.372 8.091 665 HE3 MET 81 2HE MET 81 3.253 15.325 9.489 666 H ALA 82 H ALA 82 7.597 16.257 3.336 667 HA ALA 82 HA ALA 82 10.184 15.808 4.638 668 HB1 ALA 82 3HB ALA 82 9.811 15.535 1.655 669 HB2 ALA 82 1HB ALA 82 10.078 14.198 2.772 670 HB3 ALA 82 2HB ALA 82 11.334 15.415 2.534 671 H SER 83 H SER 83 11.874 17.278 3.246 672 HA SER 83 HA SER 83 10.790 19.984 3.509 673 HB2 SER 83 2HB SER 83 12.880 19.425 4.687 674 HB3 SER 83 1HB SER 83 13.654 19.059 3.145 675 HG SER 83 HG SER 83 13.354 21.244 2.552 676 H GLN 84 H GLN 84 10.467 18.104 1.068 677 HA GLN 84 HA GLN 84 11.221 20.119 -0.954 678 HB2 GLN 84 2HB GLN 84 11.424 17.111 -1.212 679 HB3 GLN 84 1HB GLN 84 11.550 18.219 -2.570 680 HG2 GLN 84 2HG GLN 84 13.402 18.119 -0.193 681 HG3 GLN 84 1HG GLN 84 13.741 17.478 -1.801 682 HE21 GLN 84 1HE2 GLN 84 15.211 19.488 -0.325 683 HE22 GLN 84 2HE2 GLN 84 15.204 20.908 -1.306 684 H GLY 85 H GLY 85 9.918 19.940 -2.988 685 HA2 GLY 85 2HA GLY 85 7.399 18.541 -2.907 686 HA3 GLY 85 1HA GLY 85 7.228 20.263 -2.609
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