![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
591846 |
2n4d ![]() ![]() |
15721 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 1H ALA 1 3.499 -12.508 7.994 2 HA ALA 1 HA ALA 1 1.659 -12.872 6.553 3 HB1 ALA 1 3HB ALA 1 1.118 -13.399 9.516 4 HB2 ALA 1 1HB ALA 1 0.310 -14.224 8.141 5 HB3 ALA 1 2HB ALA 1 2.073 -14.439 8.407 6 H GLY 2 H GLY 2 1.058 -10.487 5.998 7 HA2 GLY 2 2HA GLY 2 -1.518 -9.908 7.343 8 HA3 GLY 2 3HA GLY 2 -0.372 -8.652 6.857 9 H LEU 3 H LEU 3 -1.378 -7.548 5.179 10 HA LEU 3 HA LEU 3 -2.614 -9.182 3.066 11 HB2 LEU 3 2HB LEU 3 -2.812 -6.204 3.727 12 HB3 LEU 3 3HB LEU 3 -3.632 -7.005 2.380 13 HG LEU 3 HG LEU 3 -4.098 -7.629 5.345 14 HD11 LEU 3 1HD1 LEU 3 -6.275 -6.523 4.986 15 HD12 LEU 3 2HD1 LEU 3 -4.907 -5.394 4.704 16 HD13 LEU 3 3HD1 LEU 3 -5.788 -6.103 3.309 17 HD21 LEU 3 3HD2 LEU 3 -4.440 -9.572 3.860 18 HD22 LEU 3 1HD2 LEU 3 -6.005 -8.953 4.488 19 HD23 LEU 3 2HD2 LEU 3 -5.505 -8.584 2.803 20 H SER 4 H SER 4 -1.990 -8.956 0.868 21 HA SER 4 HA SER 4 0.404 -7.283 0.430 22 HB2 SER 4 2HB SER 4 1.057 -9.648 0.610 23 HB3 SER 4 3HB SER 4 -0.179 -10.109 -0.568 24 HG SER 4 HG SER 4 1.922 -9.907 -1.519 25 H PHE 5 H PHE 5 0.246 -5.888 -1.285 26 HA PHE 5 HA PHE 5 -1.784 -6.540 -3.325 27 HB2 PHE 5 2HB PHE 5 -1.060 -3.797 -2.179 28 HB3 PHE 5 3HB PHE 5 -2.145 -4.078 -3.548 29 HD1 PHE 5 HD1 PHE 5 -1.736 -4.393 0.112 30 HD2 PHE 5 HD2 PHE 5 -4.391 -4.958 -3.219 31 HE1 PHE 5 HE1 PHE 5 -3.644 -4.638 1.671 32 HE2 PHE 5 HE2 PHE 5 -6.297 -5.198 -1.659 33 HZ PHE 5 HZ PHE 5 -5.926 -5.038 0.789 34 H HIS 6 H HIS 6 -1.165 -6.213 -5.492 35 HA HIS 6 HA HIS 6 1.634 -5.357 -5.849 36 HB2 HIS 6 2HB HIS 6 1.441 -7.846 -5.877 37 HB3 HIS 6 3HB HIS 6 0.221 -7.737 -7.153 38 HD2 HIS 6 HD2 HIS 6 1.281 -7.854 -9.676 39 HE1 HIS 6 HE1 HIS 6 5.312 -6.826 -8.663 40 H VAL 7 H VAL 7 1.862 -3.757 -7.371 41 HA VAL 7 HA VAL 7 -0.337 -3.483 -9.301 42 HB VAL 7 HB VAL 7 1.123 -1.242 -7.809 43 HG11 VAL 7 1HG1 VAL 7 -0.477 0.255 -8.962 44 HG12 VAL 7 2HG1 VAL 7 0.573 -0.624 -10.124 45 HG13 VAL 7 3HG1 VAL 7 -1.126 -1.149 -9.875 46 HG21 VAL 7 3HG2 VAL 7 -0.500 -2.419 -6.385 47 HG22 VAL 7 1HG2 VAL 7 -1.094 -0.778 -6.809 48 HG23 VAL 7 2HG2 VAL 7 -1.767 -2.220 -7.642 49 H GLU 8 H GLU 8 0.430 -3.642 -11.386 50 HA GLU 8 HA GLU 8 3.269 -3.682 -11.800 51 HB2 GLU 8 2HB GLU 8 0.845 -3.956 -13.636 52 HB3 GLU 8 3HB GLU 8 2.515 -4.064 -14.210 53 HG2 GLU 8 2HG GLU 8 1.310 -5.887 -12.071 54 HG3 GLU 8 3HG GLU 8 1.405 -6.289 -13.791 55 H ASP 9 H ASP 9 0.588 -1.344 -12.359 56 HA ASP 9 HA ASP 9 2.239 0.154 -14.232 57 HB2 ASP 9 2HB ASP 9 -0.616 0.525 -13.207 58 HB3 ASP 9 3HB ASP 9 0.163 1.561 -14.410 59 H MET 10 H MET 10 2.311 -0.087 -10.944 60 HA MET 10 HA MET 10 1.983 2.636 -10.163 61 HB2 MET 10 2HB MET 10 1.745 0.658 -8.655 62 HB3 MET 10 3HB MET 10 3.468 0.312 -8.849 63 HG2 MET 10 2HG MET 10 4.053 2.462 -7.790 64 HG3 MET 10 3HG MET 10 2.343 2.896 -7.668 65 HE1 MET 10 3HE MET 10 5.105 0.553 -5.273 66 HE2 MET 10 1HE MET 10 4.200 -0.826 -5.984 67 HE3 MET 10 2HE MET 10 4.964 0.395 -7.057 68 H THR 11 H THR 11 3.338 4.305 -10.731 69 HA THR 11 HA THR 11 5.986 3.990 -11.539 70 HB THR 11 HB THR 11 4.626 6.355 -10.142 71 HG1 THR 11 HG1 THR 11 4.381 7.087 -12.376 72 HG21 THR 11 3HG2 THR 11 7.155 6.213 -11.859 73 HG22 THR 11 1HG2 THR 11 6.392 7.713 -11.231 74 HG23 THR 11 2HG2 THR 11 7.090 6.515 -10.089 75 H CYS 12 H CYS 12 8.001 4.091 -10.398 76 HA CYS 12 HA CYS 12 7.697 3.153 -7.575 77 HB2 CYS 12 2HB CYS 12 9.793 2.931 -9.846 78 HB3 CYS 12 3HB CYS 12 9.899 2.093 -8.292 79 HG CYS 12 HG CYS 12 8.302 0.073 -8.898 80 H GLY 13 H GLY 13 8.629 4.198 -5.898 81 HA2 GLY 13 2HA GLY 13 10.207 5.543 -4.895 82 HA3 GLY 13 3HA GLY 13 10.738 6.130 -6.476 83 H HIS 14 H HIS 14 7.366 6.257 -6.607 84 HA HIS 14 HA HIS 14 7.290 8.939 -5.405 85 HB2 HIS 14 2HB HIS 14 6.313 8.187 -8.206 86 HB3 HIS 14 3HB HIS 14 6.072 9.751 -7.416 87 HD2 HIS 14 HD2 HIS 14 8.382 11.415 -7.304 88 HE1 HIS 14 HE1 HIS 14 10.781 8.892 -9.796 89 H CYS 15 H CYS 15 6.239 6.231 -4.535 90 HA CYS 15 HA CYS 15 3.356 6.878 -4.347 91 HB2 CYS 15 2HB CYS 15 2.887 4.672 -5.379 92 HB3 CYS 15 3HB CYS 15 3.884 5.593 -6.513 93 HG CYS 15 HG CYS 15 5.553 3.610 -6.791 94 H ALA 16 H ALA 16 6.240 4.906 -3.442 95 HA ALA 16 HA ALA 16 4.947 3.359 -1.509 96 HB1 ALA 16 3HB ALA 16 7.833 4.362 -1.664 97 HB2 ALA 16 1HB ALA 16 7.244 3.021 -0.625 98 HB3 ALA 16 2HB ALA 16 7.185 2.864 -2.413 99 H GLY 17 H GLY 17 6.536 6.635 -1.259 100 HA2 GLY 17 2HA GLY 17 6.320 6.829 1.535 101 HA3 GLY 17 3HA GLY 17 6.466 8.160 0.380 102 H VAL 18 H VAL 18 4.007 7.710 -1.141 103 HA VAL 18 HA VAL 18 2.256 9.086 0.592 104 HB VAL 18 HB VAL 18 1.882 7.831 -2.172 105 HG11 VAL 18 1HG1 VAL 18 -0.190 9.175 -2.328 106 HG12 VAL 18 2HG1 VAL 18 -0.286 7.946 -1.022 107 HG13 VAL 18 3HG1 VAL 18 0.007 9.670 -0.613 108 HG21 VAL 18 3HG2 VAL 18 3.478 9.699 -2.079 109 HG22 VAL 18 1HG2 VAL 18 1.976 10.185 -2.936 110 HG23 VAL 18 2HG2 VAL 18 2.256 10.717 -1.244 111 H ILE 19 H ILE 19 2.254 5.702 -0.795 112 HA ILE 19 HA ILE 19 -0.276 5.088 0.275 113 HB ILE 19 HB ILE 19 2.044 3.373 -0.734 114 HG12 ILE 19 2HG1 ILE 19 -0.697 3.946 -1.952 115 HG13 ILE 19 3HG1 ILE 19 0.751 4.892 -2.320 116 HG21 ILE 19 1HG2 ILE 19 0.455 1.480 -0.759 117 HG22 ILE 19 2HG2 ILE 19 0.759 2.077 0.908 118 HG23 ILE 19 3HG2 ILE 19 -0.770 2.502 0.067 119 HD11 ILE 19 3HD1 ILE 19 0.407 1.899 -2.805 120 HD12 ILE 19 1HD1 ILE 19 0.340 3.197 -4.045 121 HD13 ILE 19 2HD1 ILE 19 1.877 2.860 -3.179 122 H LYS 20 H LYS 20 3.128 4.547 1.443 123 HA LYS 20 HA LYS 20 2.464 2.857 3.572 124 HB2 LYS 20 2HB LYS 20 4.746 3.163 2.691 125 HB3 LYS 20 3HB LYS 20 4.747 4.855 3.205 126 HG2 LYS 20 2HG LYS 20 4.569 4.133 5.587 127 HG3 LYS 20 3HG LYS 20 4.563 2.440 5.075 128 HD2 LYS 20 2HD LYS 20 6.816 2.711 4.062 129 HD3 LYS 20 3HD LYS 20 6.820 4.429 4.480 130 HE2 LYS 20 2HE LYS 20 6.617 3.810 6.916 131 HE3 LYS 20 3HE LYS 20 6.685 2.101 6.469 132 HZ1 LYS 20 3HZ LYS 20 8.808 4.082 5.943 133 HZ2 LYS 20 1HZ LYS 20 8.837 2.935 7.105 134 HZ3 LYS 20 2HZ LYS 20 8.871 2.503 5.531 135 H GLY 21 H GLY 21 2.931 6.497 3.501 136 HA2 GLY 21 2HA GLY 21 2.355 6.843 6.234 137 HA3 GLY 21 3HA GLY 21 2.281 8.068 4.962 138 H ALA 22 H ALA 22 0.226 6.726 3.292 139 HA ALA 22 HA ALA 22 -2.002 7.905 4.542 140 HB1 ALA 22 3HB ALA 22 -1.796 5.966 2.186 141 HB2 ALA 22 1HB ALA 22 -3.238 6.948 2.612 142 HB3 ALA 22 2HB ALA 22 -1.720 7.759 2.100 143 H ILE 23 H ILE 23 -0.994 4.426 4.138 144 HA ILE 23 HA ILE 23 -3.391 3.473 5.328 145 HB ILE 23 HB ILE 23 -0.671 2.161 4.826 146 HG12 ILE 23 2HG1 ILE 23 -3.318 1.822 3.344 147 HG13 ILE 23 3HG1 ILE 23 -2.067 2.969 2.846 148 HG21 ILE 23 1HG2 ILE 23 -1.849 0.015 5.172 149 HG22 ILE 23 2HG2 ILE 23 -1.852 1.025 6.656 150 HG23 ILE 23 3HG2 ILE 23 -3.332 0.909 5.646 151 HD11 ILE 23 3HD1 ILE 23 -1.723 -0.055 3.077 152 HD12 ILE 23 1HD1 ILE 23 -1.920 0.885 1.559 153 HD13 ILE 23 2HD1 ILE 23 -0.453 1.110 2.570 154 H GLU 24 H GLU 24 0.031 3.980 6.506 155 HA GLU 24 HA GLU 24 -0.356 2.793 9.010 156 HB2 GLU 24 2HB GLU 24 1.844 3.327 7.975 157 HB3 GLU 24 3HB GLU 24 1.513 5.055 8.152 158 HG2 GLU 24 2HG GLU 24 1.473 4.817 10.620 159 HG3 GLU 24 3HG GLU 24 1.738 3.075 10.472 160 H LYS 25 H LYS 25 -1.036 6.136 7.815 161 HA LYS 25 HA LYS 25 -1.281 7.329 10.343 162 HB2 LYS 25 2HB LYS 25 -1.018 8.550 8.199 163 HB3 LYS 25 3HB LYS 25 -2.612 7.994 7.674 164 HG2 LYS 25 2HG LYS 25 -3.691 9.247 9.512 165 HG3 LYS 25 3HG LYS 25 -2.110 9.746 10.131 166 HD2 LYS 25 2HD LYS 25 -1.637 10.933 7.983 167 HD3 LYS 25 3HD LYS 25 -3.208 10.423 7.349 168 HE2 LYS 25 2HE LYS 25 -4.352 11.640 9.217 169 HE3 LYS 25 3HE LYS 25 -2.780 12.158 9.839 170 HZ1 LYS 25 3HZ LYS 25 -3.865 12.840 7.181 171 HZ2 LYS 25 1HZ LYS 25 -3.786 13.842 8.467 172 HZ3 LYS 25 2HZ LYS 25 -2.413 13.318 7.755 173 H THR 26 H THR 26 -3.622 5.468 8.302 174 HA THR 26 HA THR 26 -5.734 6.163 10.183 175 HB THR 26 HB THR 26 -7.232 5.058 8.541 176 HG1 THR 26 HG1 THR 26 -6.298 4.303 6.532 177 HG21 THR 26 3HG2 THR 26 -5.262 7.019 7.266 178 HG22 THR 26 1HG2 THR 26 -6.915 6.649 6.669 179 HG23 THR 26 2HG2 THR 26 -6.694 7.450 8.261 180 H VAL 27 H VAL 27 -3.413 3.625 9.546 181 HA VAL 27 HA VAL 27 -5.017 1.832 11.238 182 HB VAL 27 HB VAL 27 -2.982 1.075 9.079 183 HG11 VAL 27 1HG1 VAL 27 -3.743 -1.240 9.514 184 HG12 VAL 27 2HG1 VAL 27 -3.002 -0.494 10.970 185 HG13 VAL 27 3HG1 VAL 27 -4.787 -0.641 10.847 186 HG21 VAL 27 3HG2 VAL 27 -5.072 1.929 8.108 187 HG22 VAL 27 1HG2 VAL 27 -4.935 0.155 7.867 188 HG23 VAL 27 2HG2 VAL 27 -6.024 0.807 9.137 189 HA PRO 28 HA PRO 28 -1.213 2.871 13.577 190 HB2 PRO 28 2HB PRO 28 -2.419 2.707 16.070 191 HB3 PRO 28 3HB PRO 28 -2.590 4.158 15.074 192 HG2 PRO 28 2HG PRO 28 -4.513 1.828 15.394 193 HG3 PRO 28 3HG PRO 28 -4.859 3.563 15.413 194 HD2 PRO 28 2HD PRO 28 -5.287 2.073 13.172 195 HD3 PRO 28 3HD PRO 28 -4.742 3.751 13.055 196 H GLY 29 H GLY 29 0.314 1.633 14.614 197 HA2 GLY 29 2HA GLY 29 1.072 -0.170 15.803 198 HA3 GLY 29 3HA GLY 29 -0.533 -0.909 15.737 199 H ALA 30 H ALA 30 -1.245 -1.557 13.320 200 HA ALA 30 HA ALA 30 0.472 -3.479 12.347 201 HB1 ALA 30 3HB ALA 30 -1.647 -1.837 10.875 202 HB2 ALA 30 1HB ALA 30 -0.946 -3.391 10.311 203 HB3 ALA 30 2HB ALA 30 -1.928 -3.342 11.814 204 H ALA 31 H ALA 31 2.176 -3.567 10.885 205 HA ALA 31 HA ALA 31 3.351 -0.945 10.351 206 HB1 ALA 31 3HB ALA 31 4.471 -3.787 10.213 207 HB2 ALA 31 1HB ALA 31 5.407 -2.277 9.947 208 HB3 ALA 31 2HB ALA 31 4.693 -2.619 11.559 209 H VAL 32 H VAL 32 3.471 -0.047 8.329 210 HA VAL 32 HA VAL 32 2.555 -1.756 6.134 211 HB VAL 32 HB VAL 32 2.730 1.293 6.359 212 HG11 VAL 32 1HG1 VAL 32 1.404 1.291 4.267 213 HG12 VAL 32 2HG1 VAL 32 3.003 0.503 4.046 214 HG13 VAL 32 3HG1 VAL 32 1.521 -0.500 4.200 215 HG21 VAL 32 3HG2 VAL 32 1.011 0.342 7.835 216 HG22 VAL 32 1HG2 VAL 32 0.258 1.199 6.448 217 HG23 VAL 32 2HG2 VAL 32 0.332 -0.596 6.462 218 H HIS 33 H HIS 33 4.058 -2.457 4.646 219 HA HIS 33 HA HIS 33 6.487 -0.808 4.343 220 HB2 HIS 33 2HB HIS 33 6.241 -3.854 4.198 221 HB3 HIS 33 3HB HIS 33 7.712 -2.918 3.904 222 HD2 HIS 33 HD2 HIS 33 5.710 -4.410 6.872 223 HE1 HIS 33 HE1 HIS 33 8.903 -2.077 8.511 224 H ALA 34 H ALA 34 6.168 0.256 2.396 225 HA ALA 34 HA ALA 34 5.114 -1.342 0.166 226 HB1 ALA 34 3HB ALA 34 5.570 1.663 0.506 227 HB2 ALA 34 1HB ALA 34 4.875 0.866 -0.945 228 HB3 ALA 34 2HB ALA 34 3.996 0.806 0.620 229 H ASP 35 H ASP 35 6.470 -2.120 -1.396 230 HA ASP 35 HA ASP 35 9.108 -0.811 -1.616 231 HB2 ASP 35 2HB ASP 35 9.207 -3.102 -0.627 232 HB3 ASP 35 3HB ASP 35 8.363 -3.746 -2.042 233 HA PRO 36 HA PRO 36 7.273 -0.159 -5.709 234 HB2 PRO 36 2HB PRO 36 8.984 1.942 -6.353 235 HB3 PRO 36 3HB PRO 36 7.594 2.208 -5.292 236 HG2 PRO 36 2HG PRO 36 10.499 1.748 -4.552 237 HG3 PRO 36 3HG PRO 36 9.363 2.938 -3.906 238 HD2 PRO 36 2HD PRO 36 9.917 0.619 -2.569 239 HD3 PRO 36 3HD PRO 36 8.319 1.372 -2.483 240 H ALA 37 H ALA 37 10.590 -0.925 -4.741 241 HA ALA 37 HA ALA 37 11.596 -1.326 -7.345 242 HB1 ALA 37 3HB ALA 37 12.271 -2.666 -4.681 243 HB2 ALA 37 1HB ALA 37 13.267 -2.740 -6.174 244 HB3 ALA 37 2HB ALA 37 13.015 -1.170 -5.339 245 H SER 38 H SER 38 9.684 -3.436 -5.097 246 HA SER 38 HA SER 38 9.670 -5.511 -7.174 247 HB2 SER 38 2HB SER 38 8.723 -6.922 -5.464 248 HB3 SER 38 3HB SER 38 10.136 -6.102 -4.787 249 HG SER 38 HG SER 38 8.196 -4.451 -4.235 250 H ARG 39 H ARG 39 7.911 -2.700 -6.309 251 HA ARG 39 HA ARG 39 5.948 -1.907 -6.922 252 HB2 ARG 39 2HB ARG 39 5.838 -4.309 -8.764 253 HB3 ARG 39 3HB ARG 39 4.690 -2.964 -8.775 254 HG2 ARG 39 2HG ARG 39 6.757 -1.438 -9.129 255 HG3 ARG 39 3HG ARG 39 7.642 -2.927 -9.487 256 HD2 ARG 39 2HD ARG 39 5.164 -1.953 -10.922 257 HD3 ARG 39 3HD ARG 39 6.829 -1.757 -11.485 258 HE ARG 39 HE ARG 39 5.195 -4.148 -11.630 259 HH11 ARG 39 1HH1 ARG 39 8.484 -2.915 -11.682 260 HH12 ARG 39 2HH1 ARG 39 9.116 -4.309 -12.493 261 HH21 ARG 39 1HH2 ARG 39 6.016 -5.921 -12.680 262 HH22 ARG 39 2HH2 ARG 39 7.700 -6.035 -13.067 263 H THR 40 H THR 40 6.112 -3.523 -4.514 264 HA THR 40 HA THR 40 3.393 -4.606 -4.496 265 HB THR 40 HB THR 40 5.851 -5.955 -3.261 266 HG1 THR 40 HG1 THR 40 4.228 -6.479 -5.605 267 HG21 THR 40 3HG2 THR 40 2.917 -6.804 -3.387 268 HG22 THR 40 1HG2 THR 40 4.269 -7.785 -2.728 269 HG23 THR 40 2HG2 THR 40 3.798 -6.249 -1.924 270 H VAL 41 H VAL 41 2.214 -4.060 -2.637 271 HA VAL 41 HA VAL 41 3.773 -2.768 -0.505 272 HB VAL 41 HB VAL 41 0.852 -2.360 -1.329 273 HG11 VAL 41 1HG1 VAL 41 0.857 -0.546 0.357 274 HG12 VAL 41 2HG1 VAL 41 1.158 -2.152 1.102 275 HG13 VAL 41 3HG1 VAL 41 2.522 -1.011 0.845 276 HG21 VAL 41 3HG2 VAL 41 2.443 -1.346 -2.904 277 HG22 VAL 41 1HG2 VAL 41 1.596 -0.082 -1.949 278 HG23 VAL 41 2HG2 VAL 41 3.288 -0.530 -1.545 279 H VAL 42 H VAL 42 3.794 -3.809 1.467 280 HA VAL 42 HA VAL 42 1.715 -5.851 1.867 281 HB VAL 42 HB VAL 42 4.619 -5.795 2.836 282 HG11 VAL 42 1HG1 VAL 42 4.138 -8.042 3.757 283 HG12 VAL 42 2HG1 VAL 42 3.126 -6.774 4.526 284 HG13 VAL 42 3HG1 VAL 42 2.415 -7.861 3.286 285 HG21 VAL 42 3HG2 VAL 42 4.396 -6.361 0.455 286 HG22 VAL 42 1HG2 VAL 42 4.869 -7.804 1.414 287 HG23 VAL 42 2HG2 VAL 42 3.173 -7.614 0.855 288 H VAL 43 H VAL 43 0.468 -5.683 3.731 289 HA VAL 43 HA VAL 43 1.464 -3.813 5.772 290 HB VAL 43 HB VAL 43 -1.418 -4.507 5.003 291 HG11 VAL 43 1HG1 VAL 43 -2.050 -2.794 6.675 292 HG12 VAL 43 2HG1 VAL 43 -1.179 -4.172 7.428 293 HG13 VAL 43 3HG1 VAL 43 -0.325 -2.618 7.142 294 HG21 VAL 43 3HG2 VAL 43 -0.321 -3.006 3.396 295 HG22 VAL 43 1HG2 VAL 43 -1.557 -2.123 4.354 296 HG23 VAL 43 2HG2 VAL 43 0.186 -1.922 4.736 297 H GLY 44 H GLY 44 2.059 -4.840 7.671 298 HA2 GLY 44 2HA GLY 44 1.484 -7.661 7.877 299 HA3 GLY 44 3HA GLY 44 2.534 -6.682 8.910 300 H GLY 45 H GLY 45 0.738 -8.653 9.988 301 HA2 GLY 45 2HA GLY 45 -0.505 -8.689 11.887 302 HA3 GLY 45 3HA GLY 45 -0.685 -6.931 11.812 303 H VAL 46 H VAL 46 -2.725 -6.157 11.350 304 HA VAL 46 HA VAL 46 -4.338 -7.666 9.466 305 HB VAL 46 HB VAL 46 -4.989 -8.570 11.681 306 HG11 VAL 46 1HG1 VAL 46 -6.065 -7.097 13.355 307 HG12 VAL 46 2HG1 VAL 46 -4.350 -6.647 13.072 308 HG13 VAL 46 3HG1 VAL 46 -5.667 -5.666 12.345 309 HG21 VAL 46 3HG2 VAL 46 -6.693 -8.361 9.921 310 HG22 VAL 46 1HG2 VAL 46 -7.413 -8.083 11.543 311 HG23 VAL 46 2HG2 VAL 46 -7.066 -6.690 10.463 312 H SER 47 H SER 47 -5.767 -6.324 8.264 313 HA SER 47 HA SER 47 -6.369 -3.667 9.206 314 HB2 SER 47 2HB SER 47 -4.115 -3.303 8.302 315 HB3 SER 47 3HB SER 47 -4.554 -4.116 6.794 316 HG SER 47 HG SER 47 -5.903 -1.779 7.808 317 H ASP 48 H ASP 48 -8.168 -2.757 8.083 318 HA ASP 48 HA ASP 48 -9.798 -4.470 6.567 319 HB2 ASP 48 2HB ASP 48 -10.559 -2.468 7.853 320 HB3 ASP 48 3HB ASP 48 -9.720 -1.418 6.705 321 H ALA 49 H ALA 49 -9.254 -5.312 4.584 322 HA ALA 49 HA ALA 49 -7.232 -4.181 2.987 323 HB1 ALA 49 3HB ALA 49 -9.432 -6.203 2.332 324 HB2 ALA 49 1HB ALA 49 -7.971 -5.885 1.338 325 HB3 ALA 49 2HB ALA 49 -7.802 -6.577 2.987 326 H ALA 50 H ALA 50 -10.808 -3.773 3.023 327 HA ALA 50 HA ALA 50 -11.049 -2.668 0.455 328 HB1 ALA 50 3HB ALA 50 -12.654 -2.184 3.013 329 HB2 ALA 50 1HB ALA 50 -13.173 -1.745 1.350 330 HB3 ALA 50 2HB ALA 50 -12.952 -3.471 1.796 331 H HIS 51 H HIS 51 -10.232 -1.169 3.659 332 HA HIS 51 HA HIS 51 -10.397 1.488 2.696 333 HB2 HIS 51 2HB HIS 51 -10.534 0.888 5.089 334 HB3 HIS 51 3HB HIS 51 -8.884 0.253 5.050 335 HD2 HIS 51 HD2 HIS 51 -7.006 2.103 5.784 336 HE1 HIS 51 HE1 HIS 51 -9.344 5.621 5.089 337 H ILE 52 H ILE 52 -7.670 -0.908 2.984 338 HA ILE 52 HA ILE 52 -5.671 0.876 2.191 339 HB ILE 52 HB ILE 52 -5.963 -2.159 1.976 340 HG12 ILE 52 2HG1 ILE 52 -4.189 -0.437 3.768 341 HG13 ILE 52 3HG1 ILE 52 -5.796 -1.006 4.241 342 HG21 ILE 52 1HG2 ILE 52 -3.541 -2.231 1.486 343 HG22 ILE 52 2HG2 ILE 52 -4.461 -1.396 0.189 344 HG23 ILE 52 3HG2 ILE 52 -3.513 -0.438 1.377 345 HD11 ILE 52 3HD1 ILE 52 -3.424 -2.778 3.498 346 HD12 ILE 52 1HD1 ILE 52 -4.039 -2.456 5.155 347 HD13 ILE 52 2HD1 ILE 52 -5.055 -3.356 3.979 348 H ALA 53 H ALA 53 -7.935 -1.239 0.297 349 HA ALA 53 HA ALA 53 -6.655 -0.886 -2.182 350 HB1 ALA 53 3HB ALA 53 -9.578 -1.445 -1.478 351 HB2 ALA 53 1HB ALA 53 -8.832 -1.653 -3.099 352 HB3 ALA 53 2HB ALA 53 -8.288 -2.671 -1.723 353 H GLU 54 H GLU 54 -9.214 1.038 -0.466 354 HA GLU 54 HA GLU 54 -9.692 2.804 -2.609 355 HB2 GLU 54 2HB GLU 54 -9.959 3.033 0.421 356 HB3 GLU 54 3HB GLU 54 -10.437 4.333 -0.679 357 HG2 GLU 54 2HG GLU 54 -12.097 2.866 -1.760 358 HG3 GLU 54 3HG GLU 54 -11.567 1.492 -0.781 359 H ILE 55 H ILE 55 -7.185 2.725 -0.001 360 HA ILE 55 HA ILE 55 -6.274 5.344 -0.440 361 HB ILE 55 HB ILE 55 -5.001 2.836 0.745 362 HG12 ILE 55 2HG1 ILE 55 -5.849 5.466 2.041 363 HG13 ILE 55 3HG1 ILE 55 -6.910 4.056 1.912 364 HG21 ILE 55 1HG2 ILE 55 -3.168 4.284 1.557 365 HG22 ILE 55 2HG2 ILE 55 -3.207 4.198 -0.236 366 HG23 ILE 55 3HG2 ILE 55 -3.835 5.654 0.606 367 HD11 ILE 55 3HD1 ILE 55 -4.223 4.138 3.358 368 HD12 ILE 55 1HD1 ILE 55 -5.848 4.164 4.122 369 HD13 ILE 55 2HD1 ILE 55 -5.300 2.707 3.226 370 H ILE 56 H ILE 56 -5.211 2.113 -1.771 371 HA ILE 56 HA ILE 56 -3.021 3.132 -3.173 372 HB ILE 56 HB ILE 56 -4.778 0.664 -3.570 373 HG12 ILE 56 2HG1 ILE 56 -1.909 0.938 -2.561 374 HG13 ILE 56 3HG1 ILE 56 -3.320 0.928 -1.495 375 HG21 ILE 56 1HG2 ILE 56 -3.013 -0.186 -5.079 376 HG22 ILE 56 2HG2 ILE 56 -3.801 1.287 -5.736 377 HG23 ILE 56 3HG2 ILE 56 -2.174 1.399 -4.985 378 HD11 ILE 56 3HD1 ILE 56 -2.504 -1.318 -3.394 379 HD12 ILE 56 1HD1 ILE 56 -2.283 -1.293 -1.612 380 HD13 ILE 56 2HD1 ILE 56 -3.937 -1.329 -2.311 381 H THR 57 H THR 57 -6.488 2.570 -4.169 382 HA THR 57 HA THR 57 -6.120 3.386 -6.822 383 HB THR 57 HB THR 57 -8.583 3.499 -5.006 384 HG1 THR 57 HG1 THR 57 -7.973 1.357 -5.275 385 HG21 THR 57 3HG2 THR 57 -8.348 3.675 -8.051 386 HG22 THR 57 1HG2 THR 57 -9.879 3.570 -7.118 387 HG23 THR 57 2HG2 THR 57 -8.818 5.009 -6.945 388 H ALA 58 H ALA 58 -6.865 5.216 -3.776 389 HA ALA 58 HA ALA 58 -7.503 7.644 -5.044 390 HB1 ALA 58 3HB ALA 58 -6.331 7.053 -2.282 391 HB2 ALA 58 1HB ALA 58 -7.067 8.608 -2.798 392 HB3 ALA 58 2HB ALA 58 -8.075 7.125 -2.706 393 H ALA 59 H ALA 59 -4.357 6.144 -4.110 394 HA ALA 59 HA ALA 59 -2.859 8.512 -4.691 395 HB1 ALA 59 3HB ALA 59 -2.067 5.565 -4.498 396 HB2 ALA 59 1HB ALA 59 -0.930 6.953 -4.572 397 HB3 ALA 59 2HB ALA 59 -2.031 6.767 -3.164 398 H GLY 60 H GLY 60 -4.492 6.146 -6.681 399 HA2 GLY 60 2HA GLY 60 -4.853 6.529 -8.908 400 HA3 GLY 60 3HA GLY 60 -3.480 7.643 -8.956 401 H TYR 61 H TYR 61 -2.856 4.536 -7.400 402 HA TYR 61 HA TYR 61 -1.507 3.658 -9.876 403 HB2 TYR 61 2HB TYR 61 -0.670 3.227 -6.966 404 HB3 TYR 61 3HB TYR 61 0.181 2.621 -8.392 405 HD1 TYR 61 HD1 TYR 61 1.023 4.407 -10.107 406 HD2 TYR 61 HD2 TYR 61 -0.121 5.333 -6.076 407 HE1 TYR 61 HE1 TYR 61 2.331 6.506 -10.221 408 HE2 TYR 61 HE2 TYR 61 1.186 7.434 -6.182 409 HH TYR 61 HH TYR 61 3.187 8.296 -7.490 410 H THR 62 H THR 62 -3.526 2.468 -10.441 411 HA THR 62 HA THR 62 -3.726 0.021 -8.831 412 HB THR 62 HB THR 62 -5.896 -0.345 -9.980 413 HG1 THR 62 HG1 THR 62 -6.742 1.439 -11.280 414 HG21 THR 62 3HG2 THR 62 -5.629 2.435 -8.733 415 HG22 THR 62 1HG2 THR 62 -7.155 1.507 -8.920 416 HG23 THR 62 2HG2 THR 62 -5.856 0.891 -7.844 417 HA PRO 63 HA PRO 63 -1.825 -2.148 -12.137 418 HB2 PRO 63 2HB PRO 63 -2.819 -4.706 -11.661 419 HB3 PRO 63 3HB PRO 63 -1.695 -3.951 -10.523 420 HG2 PRO 63 2HG PRO 63 -4.720 -4.128 -10.385 421 HG3 PRO 63 3HG PRO 63 -3.530 -4.411 -9.107 422 HD2 PRO 63 2HD PRO 63 -4.884 -2.046 -9.291 423 HD3 PRO 63 3HD PRO 63 -3.220 -2.107 -8.696 424 H GLU 64 H GLU 64 -2.117 -3.573 -14.066 425 HA GLU 64 HA GLU 64 -4.124 -2.515 -15.683 426 HB2 GLU 64 2HB GLU 64 -1.972 -3.503 -16.463 427 HB3 GLU 64 3HB GLU 64 -2.528 -5.107 -15.969 428 HG2 GLU 64 2HG GLU 64 -4.382 -4.989 -17.619 429 HG3 GLU 64 3HG GLU 64 -3.872 -3.363 -18.093 Start of MODEL 2 1 H ALA 1 1H ALA 1 3.625 -12.389 7.633 2 HA ALA 1 HA ALA 1 1.789 -12.783 6.195 3 HB1 ALA 1 3HB ALA 1 1.263 -13.323 9.159 4 HB2 ALA 1 1HB ALA 1 0.467 -14.160 7.784 5 HB3 ALA 1 2HB ALA 1 2.235 -14.345 8.046 6 H GLY 2 H GLY 2 1.146 -10.410 5.643 7 HA2 GLY 2 2HA GLY 2 -1.433 -9.872 6.997 8 HA3 GLY 2 3HA GLY 2 -0.308 -8.598 6.509 9 H LEU 3 H LEU 3 -1.390 -7.507 4.864 10 HA LEU 3 HA LEU 3 -2.620 -9.136 2.754 11 HB2 LEU 3 2HB LEU 3 -2.716 -6.141 3.366 12 HB3 LEU 3 3HB LEU 3 -3.563 -6.933 2.031 13 HG LEU 3 HG LEU 3 -4.049 -7.502 5.003 14 HD11 LEU 3 1HD1 LEU 3 -6.184 -6.322 4.631 15 HD12 LEU 3 2HD1 LEU 3 -4.777 -5.246 4.335 16 HD13 LEU 3 3HD1 LEU 3 -5.683 -5.941 2.949 17 HD21 LEU 3 3HD2 LEU 3 -4.462 -9.448 3.540 18 HD22 LEU 3 1HD2 LEU 3 -6.003 -8.766 4.162 19 HD23 LEU 3 2HD2 LEU 3 -5.491 -8.433 2.473 20 H SER 4 H SER 4 -1.956 -9.034 0.573 21 HA SER 4 HA SER 4 0.498 -7.457 0.102 22 HB2 SER 4 2HB SER 4 1.016 -9.849 0.261 23 HB3 SER 4 3HB SER 4 -0.270 -10.239 -0.888 24 HG SER 4 HG SER 4 1.817 -10.164 -1.886 25 H PHE 5 H PHE 5 0.364 -6.004 -1.565 26 HA PHE 5 HA PHE 5 -1.646 -6.577 -3.648 27 HB2 PHE 5 2HB PHE 5 -0.796 -3.873 -2.500 28 HB3 PHE 5 3HB PHE 5 -1.855 -4.097 -3.899 29 HD1 PHE 5 HD1 PHE 5 -4.141 -4.959 -3.626 30 HD2 PHE 5 HD2 PHE 5 -1.583 -4.304 -0.237 31 HE1 PHE 5 HE1 PHE 5 -6.104 -5.083 -2.121 32 HE2 PHE 5 HE2 PHE 5 -3.547 -4.433 1.267 33 HZ PHE 5 HZ PHE 5 -5.807 -4.821 0.329 34 H HIS 6 H HIS 6 -0.986 -6.257 -5.813 35 HA HIS 6 HA HIS 6 1.837 -5.486 -6.146 36 HB2 HIS 6 2HB HIS 6 1.629 -7.969 -6.146 37 HB3 HIS 6 3HB HIS 6 0.407 -7.871 -7.421 38 HD2 HIS 6 HD2 HIS 6 1.444 -7.952 -9.962 39 HE1 HIS 6 HE1 HIS 6 5.510 -7.079 -8.945 40 H VAL 7 H VAL 7 2.111 -3.929 -7.711 41 HA VAL 7 HA VAL 7 -0.079 -3.631 -9.642 42 HB VAL 7 HB VAL 7 1.319 -1.397 -8.083 43 HG11 VAL 7 1HG1 VAL 7 -0.268 0.103 -9.253 44 HG12 VAL 7 2HG1 VAL 7 0.822 -0.744 -10.402 45 HG13 VAL 7 3HG1 VAL 7 -0.877 -1.292 -10.206 46 HG21 VAL 7 3HG2 VAL 7 -0.328 -2.615 -6.723 47 HG22 VAL 7 1HG2 VAL 7 -0.928 -0.973 -7.136 48 HG23 VAL 7 2HG2 VAL 7 -1.563 -2.408 -8.011 49 H GLU 8 H GLU 8 0.718 -3.721 -11.721 50 HA GLU 8 HA GLU 8 3.564 -3.772 -12.080 51 HB2 GLU 8 2HB GLU 8 1.190 -3.955 -13.993 52 HB3 GLU 8 3HB GLU 8 2.876 -4.111 -14.502 53 HG2 GLU 8 2HG GLU 8 1.539 -5.922 -12.431 54 HG3 GLU 8 3HG GLU 8 1.665 -6.304 -14.153 55 H ASP 9 H ASP 9 0.914 -1.395 -12.632 56 HA ASP 9 HA ASP 9 2.642 0.147 -14.405 57 HB2 ASP 9 2HB ASP 9 -0.263 0.480 -13.515 58 HB3 ASP 9 3HB ASP 9 0.570 1.549 -14.652 59 H MET 10 H MET 10 2.589 -0.184 -11.138 60 HA MET 10 HA MET 10 2.149 2.470 -10.239 61 HB2 MET 10 2HB MET 10 2.027 0.462 -8.796 62 HB3 MET 10 3HB MET 10 3.744 0.140 -9.070 63 HG2 MET 10 2HG MET 10 4.337 2.274 -7.952 64 HG3 MET 10 3HG MET 10 2.622 2.632 -7.704 65 HE1 MET 10 3HE MET 10 1.100 0.401 -6.773 66 HE2 MET 10 1HE MET 10 1.474 0.067 -5.048 67 HE3 MET 10 2HE MET 10 1.245 1.759 -5.606 68 H THR 11 H THR 11 3.389 4.249 -10.746 69 HA THR 11 HA THR 11 6.085 4.130 -11.477 70 HB THR 11 HB THR 11 4.504 6.359 -10.090 71 HG1 THR 11 HG1 THR 11 4.322 7.135 -12.314 72 HG21 THR 11 3HG2 THR 11 7.120 6.439 -11.674 73 HG22 THR 11 1HG2 THR 11 6.223 7.865 -11.051 74 HG23 THR 11 2HG2 THR 11 6.944 6.685 -9.904 75 H CYS 12 H CYS 12 8.038 4.294 -10.253 76 HA CYS 12 HA CYS 12 7.678 3.318 -7.448 77 HB2 CYS 12 2HB CYS 12 9.848 3.212 -9.656 78 HB3 CYS 12 3HB CYS 12 9.965 2.390 -8.094 79 HG CYS 12 HG CYS 12 8.924 0.184 -9.004 80 H GLY 13 H GLY 13 8.529 4.373 -5.729 81 HA2 GLY 13 2HA GLY 13 10.054 5.772 -4.695 82 HA3 GLY 13 3HA GLY 13 10.506 6.462 -6.259 83 H HIS 14 H HIS 14 7.106 6.291 -6.242 84 HA HIS 14 HA HIS 14 6.830 8.891 -4.920 85 HB2 HIS 14 2HB HIS 14 5.937 8.262 -7.779 86 HB3 HIS 14 3HB HIS 14 5.540 9.733 -6.880 87 HD2 HIS 14 HD2 HIS 14 7.682 11.593 -6.600 88 HE1 HIS 14 HE1 HIS 14 10.323 9.516 -9.252 89 H CYS 15 H CYS 15 6.013 6.138 -4.129 90 HA CYS 15 HA CYS 15 3.080 6.501 -3.974 91 HB2 CYS 15 2HB CYS 15 2.837 4.265 -5.032 92 HB3 CYS 15 3HB CYS 15 3.730 5.304 -6.151 93 HG CYS 15 HG CYS 15 4.622 2.389 -5.458 94 H ALA 16 H ALA 16 6.126 4.787 -3.072 95 HA ALA 16 HA ALA 16 4.979 3.190 -1.079 96 HB1 ALA 16 3HB ALA 16 7.774 4.412 -1.309 97 HB2 ALA 16 1HB ALA 16 7.306 3.064 -0.218 98 HB3 ALA 16 2HB ALA 16 7.238 2.843 -1.999 99 H GLY 17 H GLY 17 6.390 6.559 -0.918 100 HA2 GLY 17 2HA GLY 17 6.084 6.835 1.861 101 HA3 GLY 17 3HA GLY 17 6.199 8.133 0.666 102 H VAL 18 H VAL 18 3.802 7.481 -0.905 103 HA VAL 18 HA VAL 18 1.972 8.893 0.716 104 HB VAL 18 HB VAL 18 1.702 7.495 -1.993 105 HG11 VAL 18 1HG1 VAL 18 -0.399 8.773 -2.264 106 HG12 VAL 18 2HG1 VAL 18 -0.496 7.609 -0.900 107 HG13 VAL 18 3HG1 VAL 18 -0.257 9.358 -0.572 108 HG21 VAL 18 3HG2 VAL 18 3.246 9.410 -1.951 109 HG22 VAL 18 1HG2 VAL 18 1.756 9.811 -2.868 110 HG23 VAL 18 2HG2 VAL 18 1.977 10.433 -1.198 111 H ILE 19 H ILE 19 2.073 5.453 -0.531 112 HA ILE 19 HA ILE 19 -0.445 4.798 0.514 113 HB ILE 19 HB ILE 19 1.981 3.119 -0.292 114 HG12 ILE 19 2HG1 ILE 19 -0.731 3.486 -1.644 115 HG13 ILE 19 3HG1 ILE 19 0.685 4.477 -2.019 116 HG21 ILE 19 1HG2 ILE 19 0.471 1.162 -0.243 117 HG22 ILE 19 2HG2 ILE 19 0.684 1.882 1.388 118 HG23 ILE 19 3HG2 ILE 19 -0.826 2.185 0.464 119 HD11 ILE 19 3HD1 ILE 19 0.502 1.446 -2.321 120 HD12 ILE 19 1HD1 ILE 19 0.425 2.657 -3.645 121 HD13 ILE 19 2HD1 ILE 19 1.940 2.453 -2.702 122 H LYS 20 H LYS 20 2.938 4.384 1.817 123 HA LYS 20 HA LYS 20 2.216 2.840 4.033 124 HB2 LYS 20 2HB LYS 20 4.523 3.116 3.174 125 HB3 LYS 20 3HB LYS 20 4.505 4.825 3.628 126 HG2 LYS 20 2HG LYS 20 4.248 4.173 6.033 127 HG3 LYS 20 3HG LYS 20 4.295 2.467 5.568 128 HD2 LYS 20 2HD LYS 20 6.573 2.857 4.530 129 HD3 LYS 20 3HD LYS 20 6.524 4.524 5.120 130 HE2 LYS 20 2HE LYS 20 6.263 2.063 6.925 131 HE3 LYS 20 3HE LYS 20 7.791 2.896 6.609 132 HZ1 LYS 20 3HZ LYS 20 5.444 3.903 8.045 133 HZ2 LYS 20 1HZ LYS 20 7.001 3.850 8.535 134 HZ3 LYS 20 2HZ LYS 20 6.533 4.944 7.417 135 H GLY 21 H GLY 21 2.723 6.467 3.766 136 HA2 GLY 21 2HA GLY 21 2.144 6.981 6.459 137 HA3 GLY 21 3HA GLY 21 2.057 8.126 5.115 138 H ALA 22 H ALA 22 -0.019 6.765 3.536 139 HA ALA 22 HA ALA 22 -2.215 8.009 4.792 140 HB1 ALA 22 3HB ALA 22 -2.064 6.047 2.451 141 HB2 ALA 22 1HB ALA 22 -3.484 7.060 2.880 142 HB3 ALA 22 2HB ALA 22 -1.954 7.837 2.350 143 H ILE 23 H ILE 23 -1.250 4.517 4.443 144 HA ILE 23 HA ILE 23 -3.659 3.596 5.620 145 HB ILE 23 HB ILE 23 -0.933 2.285 5.166 146 HG12 ILE 23 2HG1 ILE 23 -3.594 1.862 3.732 147 HG13 ILE 23 3HG1 ILE 23 -2.362 3.003 3.176 148 HG21 ILE 23 1HG2 ILE 23 -2.078 0.138 5.606 149 HG22 ILE 23 2HG2 ILE 23 -2.075 1.203 7.052 150 HG23 ILE 23 3HG2 ILE 23 -3.567 1.031 6.067 151 HD11 ILE 23 3HD1 ILE 23 -1.981 -0.007 3.513 152 HD12 ILE 23 1HD1 ILE 23 -2.207 0.874 1.965 153 HD13 ILE 23 2HD1 ILE 23 -0.730 1.151 2.949 154 H GLU 24 H GLU 24 -0.237 4.019 6.854 155 HA GLU 24 HA GLU 24 -0.808 2.865 9.366 156 HB2 GLU 24 2HB GLU 24 1.394 4.696 8.321 157 HB3 GLU 24 3HB GLU 24 1.366 4.103 9.987 158 HG2 GLU 24 2HG GLU 24 1.473 1.768 9.197 159 HG3 GLU 24 3HG GLU 24 1.385 2.304 7.514 160 H LYS 25 H LYS 25 -1.134 6.199 8.069 161 HA LYS 25 HA LYS 25 -1.333 7.535 10.521 162 HB2 LYS 25 2HB LYS 25 -1.065 8.634 8.319 163 HB3 LYS 25 3HB LYS 25 -2.666 8.070 7.823 164 HG2 LYS 25 2HG LYS 25 -3.731 9.442 9.584 165 HG3 LYS 25 3HG LYS 25 -2.145 9.956 10.175 166 HD2 LYS 25 2HD LYS 25 -1.655 11.015 7.968 167 HD3 LYS 25 3HD LYS 25 -3.224 10.480 7.354 168 HE2 LYS 25 2HE LYS 25 -4.371 11.811 9.142 169 HE3 LYS 25 3HE LYS 25 -2.798 12.356 9.739 170 HZ1 LYS 25 3HZ LYS 25 -3.868 12.884 7.040 171 HZ2 LYS 25 1HZ LYS 25 -3.788 13.961 8.264 172 HZ3 LYS 25 2HZ LYS 25 -2.416 13.387 7.591 173 H THR 26 H THR 26 -3.761 5.650 8.599 174 HA THR 26 HA THR 26 -5.813 6.497 10.491 175 HB THR 26 HB THR 26 -7.392 5.440 8.893 176 HG1 THR 26 HG1 THR 26 -6.525 4.610 6.880 177 HG21 THR 26 3HG2 THR 26 -5.350 7.277 7.549 178 HG22 THR 26 1HG2 THR 26 -7.029 6.980 6.986 179 HG23 THR 26 2HG2 THR 26 -6.740 7.798 8.559 180 H VAL 27 H VAL 27 -3.652 3.815 9.814 181 HA VAL 27 HA VAL 27 -5.248 2.189 11.670 182 HB VAL 27 HB VAL 27 -3.497 1.198 9.362 183 HG11 VAL 27 1HG1 VAL 27 -4.415 -1.026 9.945 184 HG12 VAL 27 2HG1 VAL 27 -3.482 -0.311 11.303 185 HG13 VAL 27 3HG1 VAL 27 -5.277 -0.298 11.342 186 HG21 VAL 27 3HG2 VAL 27 -5.582 2.210 8.549 187 HG22 VAL 27 1HG2 VAL 27 -5.623 0.425 8.360 188 HG23 VAL 27 2HG2 VAL 27 -6.532 1.207 9.697 189 HA PRO 28 HA PRO 28 -1.193 3.012 13.623 190 HB2 PRO 28 2HB PRO 28 -2.167 2.858 16.225 191 HB3 PRO 28 3HB PRO 28 -2.348 4.332 15.265 192 HG2 PRO 28 2HG PRO 28 -4.357 2.100 15.729 193 HG3 PRO 28 3HG PRO 28 -4.608 3.850 15.795 194 HD2 PRO 28 2HD PRO 28 -5.319 2.430 13.588 195 HD3 PRO 28 3HD PRO 28 -4.671 4.068 13.432 196 H GLY 29 H GLY 29 0.391 1.706 14.455 197 HA2 GLY 29 2HA GLY 29 1.167 -0.137 15.605 198 HA3 GLY 29 3HA GLY 29 -0.451 -0.852 15.587 199 H ALA 30 H ALA 30 -1.248 -1.167 13.036 200 HA ALA 30 HA ALA 30 0.327 -3.185 11.968 201 HB1 ALA 30 3HB ALA 30 -1.684 -1.326 10.608 202 HB2 ALA 30 1HB ALA 30 -1.087 -2.887 9.950 203 HB3 ALA 30 2HB ALA 30 -2.060 -2.862 11.459 204 H ALA 31 H ALA 31 2.104 -3.271 10.631 205 HA ALA 31 HA ALA 31 3.258 -0.661 9.947 206 HB1 ALA 31 3HB ALA 31 4.463 -3.465 10.123 207 HB2 ALA 31 1HB ALA 31 5.362 -1.960 9.734 208 HB3 ALA 31 2HB ALA 31 4.610 -2.164 11.352 209 H VAL 32 H VAL 32 3.419 0.036 7.852 210 HA VAL 32 HA VAL 32 2.670 -1.921 5.802 211 HB VAL 32 HB VAL 32 2.671 1.139 5.766 212 HG11 VAL 32 1HG1 VAL 32 1.523 0.903 3.587 213 HG12 VAL 32 2HG1 VAL 32 3.178 0.207 3.550 214 HG13 VAL 32 3HG1 VAL 32 1.750 -0.877 3.665 215 HG21 VAL 32 3HG2 VAL 32 0.895 0.187 7.174 216 HG22 VAL 32 1HG2 VAL 32 0.209 0.891 5.672 217 HG23 VAL 32 2HG2 VAL 32 0.387 -0.889 5.829 218 H HIS 33 H HIS 33 4.229 -2.637 4.374 219 HA HIS 33 HA HIS 33 6.630 -0.946 4.091 220 HB2 HIS 33 2HB HIS 33 6.438 -3.999 4.003 221 HB3 HIS 33 3HB HIS 33 7.904 -3.042 3.754 222 HD2 HIS 33 HD2 HIS 33 5.802 -4.515 6.660 223 HE1 HIS 33 HE1 HIS 33 8.888 -2.100 8.389 224 H ALA 34 H ALA 34 6.285 0.084 2.119 225 HA ALA 34 HA ALA 34 5.307 -1.571 -0.097 226 HB1 ALA 34 3HB ALA 34 5.751 1.442 0.191 227 HB2 ALA 34 1HB ALA 34 5.076 0.616 -1.253 228 HB3 ALA 34 2HB ALA 34 4.178 0.583 0.302 229 H ASP 35 H ASP 35 6.687 -2.380 -1.621 230 HA ASP 35 HA ASP 35 9.295 -1.022 -1.883 231 HB2 ASP 35 2HB ASP 35 9.462 -3.284 -0.844 232 HB3 ASP 35 3HB ASP 35 8.612 -3.983 -2.229 233 HA PRO 36 HA PRO 36 7.289 -0.536 -5.950 234 HB2 PRO 36 2HB PRO 36 8.719 1.747 -6.613 235 HB3 PRO 36 3HB PRO 36 7.305 1.837 -5.555 236 HG2 PRO 36 2HG PRO 36 10.247 1.744 -4.803 237 HG3 PRO 36 3HG PRO 36 8.975 2.800 -4.175 238 HD2 PRO 36 2HD PRO 36 9.768 0.592 -2.795 239 HD3 PRO 36 3HD PRO 36 8.080 1.119 -2.771 240 H ALA 37 H ALA 37 10.697 -0.880 -5.025 241 HA ALA 37 HA ALA 37 11.705 -1.290 -7.608 242 HB1 ALA 37 3HB ALA 37 12.465 -2.554 -4.929 243 HB2 ALA 37 1HB ALA 37 13.466 -2.577 -6.420 244 HB3 ALA 37 2HB ALA 37 13.109 -1.018 -5.602 245 H SER 38 H SER 38 9.908 -3.487 -5.353 246 HA SER 38 HA SER 38 10.002 -5.561 -7.429 247 HB2 SER 38 2HB SER 38 9.110 -7.016 -5.730 248 HB3 SER 38 3HB SER 38 10.474 -6.130 -5.036 249 HG SER 38 HG SER 38 8.456 -4.574 -4.500 250 H ARG 39 H ARG 39 8.113 -2.832 -6.556 251 HA ARG 39 HA ARG 39 6.138 -2.112 -7.217 252 HB2 ARG 39 2HB ARG 39 6.110 -4.541 -9.028 253 HB3 ARG 39 3HB ARG 39 4.945 -3.211 -9.076 254 HG2 ARG 39 2HG ARG 39 7.017 -1.670 -9.409 255 HG3 ARG 39 3HG ARG 39 7.900 -3.160 -9.764 256 HD2 ARG 39 2HD ARG 39 5.426 -2.185 -11.206 257 HD3 ARG 39 3HD ARG 39 7.093 -1.989 -11.764 258 HE ARG 39 HE ARG 39 5.460 -4.378 -11.915 259 HH11 ARG 39 1HH1 ARG 39 8.748 -3.144 -11.957 260 HH12 ARG 39 2HH1 ARG 39 9.384 -4.538 -12.765 261 HH21 ARG 39 1HH2 ARG 39 6.284 -6.152 -12.963 262 HH22 ARG 39 2HH2 ARG 39 7.970 -6.266 -13.345 263 H THR 40 H THR 40 6.376 -3.787 -4.813 264 HA THR 40 HA THR 40 3.654 -4.872 -4.788 265 HB THR 40 HB THR 40 6.130 -6.206 -3.568 266 HG1 THR 40 HG1 THR 40 4.492 -6.732 -5.899 267 HG21 THR 40 3HG2 THR 40 3.197 -7.069 -3.661 268 HG22 THR 40 1HG2 THR 40 4.560 -8.042 -3.013 269 HG23 THR 40 2HG2 THR 40 4.091 -6.507 -2.208 270 H VAL 41 H VAL 41 2.471 -4.322 -2.939 271 HA VAL 41 HA VAL 41 4.014 -2.985 -0.825 272 HB VAL 41 HB VAL 41 1.103 -2.594 -1.683 273 HG11 VAL 41 1HG1 VAL 41 1.089 -0.751 -0.028 274 HG12 VAL 41 2HG1 VAL 41 1.380 -2.344 0.748 275 HG13 VAL 41 3HG1 VAL 41 2.747 -1.209 0.489 276 HG21 VAL 41 3HG2 VAL 41 2.712 -1.604 -3.257 277 HG22 VAL 41 1HG2 VAL 41 1.855 -0.325 -2.331 278 HG23 VAL 41 2HG2 VAL 41 3.542 -0.767 -1.902 279 H VAL 42 H VAL 42 4.015 -3.980 1.174 280 HA VAL 42 HA VAL 42 1.939 -6.017 1.599 281 HB VAL 42 HB VAL 42 4.775 -5.805 2.737 282 HG11 VAL 42 1HG1 VAL 42 4.307 -8.008 3.765 283 HG12 VAL 42 2HG1 VAL 42 3.211 -6.730 4.391 284 HG13 VAL 42 3HG1 VAL 42 2.611 -7.914 3.181 285 HG21 VAL 42 3HG2 VAL 42 4.719 -6.523 0.386 286 HG22 VAL 42 1HG2 VAL 42 5.175 -7.888 1.460 287 HG23 VAL 42 2HG2 VAL 42 3.512 -7.790 0.789 288 H VAL 43 H VAL 43 0.566 -5.766 3.361 289 HA VAL 43 HA VAL 43 1.388 -3.759 5.349 290 HB VAL 43 HB VAL 43 -1.417 -4.655 4.511 291 HG11 VAL 43 1HG1 VAL 43 -2.209 -2.880 6.047 292 HG12 VAL 43 2HG1 VAL 43 -1.297 -4.160 6.918 293 HG13 VAL 43 3HG1 VAL 43 -0.516 -2.582 6.567 294 HG21 VAL 43 3HG2 VAL 43 -0.336 -3.194 2.856 295 HG22 VAL 43 1HG2 VAL 43 -1.655 -2.325 3.710 296 HG23 VAL 43 2HG2 VAL 43 0.058 -2.006 4.144 297 H GLY 44 H GLY 44 2.044 -4.715 7.268 298 HA2 GLY 44 2HA GLY 44 1.479 -7.530 7.614 299 HA3 GLY 44 3HA GLY 44 2.562 -6.508 8.569 300 H GLY 45 H GLY 45 0.800 -8.404 9.805 301 HA2 GLY 45 2HA GLY 45 -0.386 -8.325 11.741 302 HA3 GLY 45 3HA GLY 45 -0.588 -6.578 11.558 303 H VAL 46 H VAL 46 -2.673 -5.889 11.187 304 HA VAL 46 HA VAL 46 -4.275 -7.436 9.332 305 HB VAL 46 HB VAL 46 -4.864 -8.391 11.546 306 HG11 VAL 46 1HG1 VAL 46 -5.958 -6.973 13.256 307 HG12 VAL 46 2HG1 VAL 46 -4.262 -6.465 12.952 308 HG13 VAL 46 3HG1 VAL 46 -5.621 -5.518 12.258 309 HG21 VAL 46 3HG2 VAL 46 -6.597 -8.213 9.815 310 HG22 VAL 46 1HG2 VAL 46 -7.301 -7.980 11.450 311 HG23 VAL 46 2HG2 VAL 46 -7.016 -6.562 10.385 312 H SER 47 H SER 47 -5.739 -6.120 8.156 313 HA SER 47 HA SER 47 -6.445 -3.508 9.130 314 HB2 SER 47 2HB SER 47 -4.182 -3.037 8.302 315 HB3 SER 47 3HB SER 47 -4.549 -3.823 6.761 316 HG SER 47 HG SER 47 -4.731 -1.390 6.951 317 H ASP 48 H ASP 48 -8.352 -2.791 8.148 318 HA ASP 48 HA ASP 48 -9.837 -4.475 6.502 319 HB2 ASP 48 2HB ASP 48 -10.717 -2.588 7.885 320 HB3 ASP 48 3HB ASP 48 -9.949 -1.433 6.787 321 H ALA 49 H ALA 49 -9.311 -5.162 4.460 322 HA ALA 49 HA ALA 49 -7.324 -3.864 2.941 323 HB1 ALA 49 3HB ALA 49 -9.432 -5.942 2.169 324 HB2 ALA 49 1HB ALA 49 -7.984 -5.510 1.199 325 HB3 ALA 49 2HB ALA 49 -7.789 -6.280 2.810 326 H ALA 50 H ALA 50 -10.886 -3.526 3.058 327 HA ALA 50 HA ALA 50 -11.229 -2.375 0.525 328 HB1 ALA 50 3HB ALA 50 -12.745 -1.950 3.147 329 HB2 ALA 50 1HB ALA 50 -13.326 -1.486 1.512 330 HB3 ALA 50 2HB ALA 50 -13.076 -3.217 1.918 331 H HIS 51 H HIS 51 -10.353 -0.912 3.737 332 HA HIS 51 HA HIS 51 -10.477 1.753 2.788 333 HB2 HIS 51 2HB HIS 51 -10.591 1.126 5.183 334 HB3 HIS 51 3HB HIS 51 -8.944 0.486 5.112 335 HD2 HIS 51 HD2 HIS 51 -7.053 2.327 5.841 336 HE1 HIS 51 HE1 HIS 51 -9.383 5.856 5.184 337 H ILE 52 H ILE 52 -7.799 -0.702 3.028 338 HA ILE 52 HA ILE 52 -5.767 1.027 2.213 339 HB ILE 52 HB ILE 52 -6.161 -1.994 1.953 340 HG12 ILE 52 2HG1 ILE 52 -4.287 -0.365 3.729 341 HG13 ILE 52 3HG1 ILE 52 -5.903 -0.878 4.232 342 HG21 ILE 52 1HG2 ILE 52 -3.755 -2.135 1.405 343 HG22 ILE 52 2HG2 ILE 52 -4.677 -1.247 0.144 344 HG23 ILE 52 3HG2 ILE 52 -3.671 -0.342 1.326 345 HD11 ILE 52 3HD1 ILE 52 -3.621 -2.729 3.408 346 HD12 ILE 52 1HD1 ILE 52 -4.184 -2.408 5.083 347 HD13 ILE 52 2HD1 ILE 52 -5.262 -3.250 3.919 348 H ALA 53 H ALA 53 -8.138 -0.976 0.328 349 HA ALA 53 HA ALA 53 -6.863 -0.661 -2.159 350 HB1 ALA 53 3HB ALA 53 -9.798 -1.124 -1.437 351 HB2 ALA 53 1HB ALA 53 -9.071 -1.353 -3.062 352 HB3 ALA 53 2HB ALA 53 -8.552 -2.392 -1.692 353 H GLU 54 H GLU 54 -9.384 1.324 -0.449 354 HA GLU 54 HA GLU 54 -9.798 3.128 -2.561 355 HB2 GLU 54 2HB GLU 54 -10.009 3.362 0.474 356 HB3 GLU 54 3HB GLU 54 -10.462 4.675 -0.622 357 HG2 GLU 54 2HG GLU 54 -12.189 3.266 -1.669 358 HG3 GLU 54 3HG GLU 54 -11.687 1.874 -0.700 359 H ILE 55 H ILE 55 -7.263 2.942 0.016 360 HA ILE 55 HA ILE 55 -6.284 5.541 -0.418 361 HB ILE 55 HB ILE 55 -5.092 3.003 0.785 362 HG12 ILE 55 2HG1 ILE 55 -5.865 5.666 2.063 363 HG13 ILE 55 3HG1 ILE 55 -6.968 4.290 1.936 364 HG21 ILE 55 1HG2 ILE 55 -3.220 4.399 1.600 365 HG22 ILE 55 2HG2 ILE 55 -3.252 4.304 -0.194 366 HG23 ILE 55 3HG2 ILE 55 -3.840 5.784 0.638 367 HD11 ILE 55 3HD1 ILE 55 -4.288 4.296 3.395 368 HD12 ILE 55 1HD1 ILE 55 -5.915 4.377 4.151 369 HD13 ILE 55 2HD1 ILE 55 -5.408 2.898 3.266 370 H ILE 56 H ILE 56 -5.282 2.275 -1.717 371 HA ILE 56 HA ILE 56 -3.031 3.268 -3.062 372 HB ILE 56 HB ILE 56 -4.752 0.772 -3.432 373 HG12 ILE 56 2HG1 ILE 56 -1.926 1.115 -2.329 374 HG13 ILE 56 3HG1 ILE 56 -3.377 1.109 -1.318 375 HG21 ILE 56 1HG2 ILE 56 -2.926 -0.112 -4.849 376 HG22 ILE 56 2HG2 ILE 56 -3.704 1.331 -5.584 377 HG23 ILE 56 3HG2 ILE 56 -2.105 1.484 -4.780 378 HD11 ILE 56 3HD1 ILE 56 -2.451 -1.174 -3.119 379 HD12 ILE 56 1HD1 ILE 56 -2.300 -1.096 -1.331 380 HD13 ILE 56 2HD1 ILE 56 -3.925 -1.180 -2.093 381 H THR 57 H THR 57 -6.468 2.675 -4.134 382 HA THR 57 HA THR 57 -6.070 3.446 -6.786 383 HB THR 57 HB THR 57 -8.527 3.696 -4.974 384 HG1 THR 57 HG1 THR 57 -8.001 1.526 -5.205 385 HG21 THR 57 3HG2 THR 57 -8.287 3.806 -8.020 386 HG22 THR 57 1HG2 THR 57 -9.820 3.781 -7.085 387 HG23 THR 57 2HG2 THR 57 -8.701 5.178 -6.938 388 H ALA 58 H ALA 58 -6.770 5.366 -3.781 389 HA ALA 58 HA ALA 58 -7.239 7.809 -5.092 390 HB1 ALA 58 3HB ALA 58 -6.126 7.191 -2.312 391 HB2 ALA 58 1HB ALA 58 -6.758 8.781 -2.859 392 HB3 ALA 58 2HB ALA 58 -7.858 7.365 -2.751 393 H ALA 59 H ALA 59 -4.196 6.145 -4.075 394 HA ALA 59 HA ALA 59 -2.560 8.404 -4.727 395 HB1 ALA 59 3HB ALA 59 -1.936 5.428 -4.390 396 HB2 ALA 59 1HB ALA 59 -0.722 6.747 -4.506 397 HB3 ALA 59 2HB ALA 59 -1.851 6.685 -3.110 398 H GLY 60 H GLY 60 -4.293 6.045 -6.639 399 HA2 GLY 60 2HA GLY 60 -4.609 6.375 -8.883 400 HA3 GLY 60 3HA GLY 60 -3.166 7.395 -8.954 401 H TYR 61 H TYR 61 -2.742 4.325 -7.272 402 HA TYR 61 HA TYR 61 -1.421 3.277 -9.695 403 HB2 TYR 61 2HB TYR 61 -0.600 2.887 -6.776 404 HB3 TYR 61 3HB TYR 61 0.253 2.284 -8.204 405 HD1 TYR 61 HD1 TYR 61 0.972 4.164 -9.957 406 HD2 TYR 61 HD2 TYR 61 0.106 4.895 -5.817 407 HE1 TYR 61 HE1 TYR 61 2.295 6.253 -10.052 408 HE2 TYR 61 HE2 TYR 61 1.429 6.986 -5.905 409 HH TYR 61 HH TYR 61 3.174 8.011 -7.176 410 H THR 62 H THR 62 -3.669 2.279 -10.059 411 HA THR 62 HA THR 62 -4.135 0.002 -8.312 412 HB THR 62 HB THR 62 -6.141 -0.360 -9.739 413 HG1 THR 62 HG1 THR 62 -6.609 1.286 -11.369 414 HG21 THR 62 3HG2 THR 62 -5.786 2.536 -8.822 415 HG22 THR 62 1HG2 THR 62 -7.353 1.714 -9.130 416 HG23 THR 62 2HG2 THR 62 -6.292 1.153 -7.794 417 HA PRO 63 HA PRO 63 -2.087 -2.814 -11.062 418 HB2 PRO 63 2HB PRO 63 -3.401 -5.159 -10.359 419 HB3 PRO 63 3HB PRO 63 -2.306 -4.373 -9.214 420 HG2 PRO 63 2HG PRO 63 -5.332 -4.224 -9.370 421 HG3 PRO 63 3HG PRO 63 -4.302 -4.448 -7.950 422 HD2 PRO 63 2HD PRO 63 -5.358 -2.004 -8.589 423 HD3 PRO 63 3HD PRO 63 -3.786 -2.154 -7.792 424 H GLU 64 H GLU 64 -2.327 -4.266 -12.898 425 HA GLU 64 HA GLU 64 -4.228 -3.333 -14.713 426 HB2 GLU 64 2HB GLU 64 -2.049 -4.405 -15.278 427 HB3 GLU 64 3HB GLU 64 -2.658 -5.954 -14.681 428 HG2 GLU 64 2HG GLU 64 -4.412 -5.963 -16.440 429 HG3 GLU 64 3HG GLU 64 -3.857 -4.388 -17.020 Start of MODEL 3 1 H ALA 1 1H ALA 1 3.926 -12.633 8.447 2 HA ALA 1 HA ALA 1 2.128 -13.007 6.957 3 HB1 ALA 1 3HB ALA 1 1.526 -13.589 9.899 4 HB2 ALA 1 1HB ALA 1 0.767 -14.407 8.492 5 HB3 ALA 1 2HB ALA 1 2.526 -14.595 8.798 6 H GLY 2 H GLY 2 1.452 -10.680 6.367 7 HA2 GLY 2 2HA GLY 2 -1.123 -10.116 7.721 8 HA3 GLY 2 3HA GLY 2 -0.014 -8.856 7.163 9 H LEU 3 H LEU 3 -1.178 -7.846 5.513 10 HA LEU 3 HA LEU 3 -2.260 -9.612 3.415 11 HB2 LEU 3 2HB LEU 3 -2.810 -6.673 4.055 12 HB3 LEU 3 3HB LEU 3 -3.564 -7.602 2.752 13 HG LEU 3 HG LEU 3 -3.870 -8.183 5.746 14 HD11 LEU 3 1HD1 LEU 3 -6.184 -7.394 5.404 15 HD12 LEU 3 2HD1 LEU 3 -4.988 -6.104 5.042 16 HD13 LEU 3 3HD1 LEU 3 -5.794 -6.983 3.700 17 HD21 LEU 3 3HD2 LEU 3 -3.980 -10.212 4.341 18 HD22 LEU 3 1HD2 LEU 3 -5.599 -9.784 4.989 19 HD23 LEU 3 2HD2 LEU 3 -5.191 -9.417 3.279 20 H SER 4 H SER 4 -1.705 -9.272 1.205 21 HA SER 4 HA SER 4 0.529 -7.385 0.790 22 HB2 SER 4 2HB SER 4 1.395 -9.676 0.935 23 HB3 SER 4 3HB SER 4 0.194 -10.239 -0.236 24 HG SER 4 HG SER 4 1.355 -9.472 -1.843 25 H PHE 5 H PHE 5 0.313 -6.036 -0.970 26 HA PHE 5 HA PHE 5 -1.835 -6.710 -2.875 27 HB2 PHE 5 2HB PHE 5 -1.186 -3.950 -1.728 28 HB3 PHE 5 3HB PHE 5 -2.433 -4.319 -2.927 29 HD1 PHE 5 HD1 PHE 5 -1.470 -4.587 0.628 30 HD2 PHE 5 HD2 PHE 5 -4.525 -5.394 -2.284 31 HE1 PHE 5 HE1 PHE 5 -3.102 -4.987 2.447 32 HE2 PHE 5 HE2 PHE 5 -6.154 -5.793 -0.465 33 HZ PHE 5 HZ PHE 5 -5.445 -5.589 1.905 34 H HIS 6 H HIS 6 -1.388 -6.272 -5.062 35 HA HIS 6 HA HIS 6 1.393 -5.404 -5.536 36 HB2 HIS 6 2HB HIS 6 -0.204 -7.545 -7.029 37 HB3 HIS 6 3HB HIS 6 1.458 -7.049 -7.374 38 HD2 HIS 6 HD2 HIS 6 -0.515 -9.270 -4.809 39 HE1 HIS 6 HE1 HIS 6 3.673 -9.689 -4.026 40 H VAL 7 H VAL 7 1.616 -3.687 -6.925 41 HA VAL 7 HA VAL 7 -0.722 -3.082 -8.602 42 HB VAL 7 HB VAL 7 1.364 -1.202 -7.383 43 HG11 VAL 7 1HG1 VAL 7 -0.005 0.614 -8.363 44 HG12 VAL 7 2HG1 VAL 7 0.684 -0.459 -9.627 45 HG13 VAL 7 3HG1 VAL 7 -1.045 -0.609 -9.166 46 HG21 VAL 7 3HG2 VAL 7 -0.284 -2.013 -5.754 47 HG22 VAL 7 1HG2 VAL 7 -0.560 -0.279 -6.135 48 HG23 VAL 7 2HG2 VAL 7 -1.623 -1.536 -6.853 49 H GLU 8 H GLU 8 -0.385 -3.181 -10.810 50 HA GLU 8 HA GLU 8 2.209 -3.984 -11.711 51 HB2 GLU 8 2HB GLU 8 -0.430 -3.359 -13.117 52 HB3 GLU 8 3HB GLU 8 1.020 -3.906 -13.969 53 HG2 GLU 8 2HG GLU 8 -0.485 -5.453 -11.802 54 HG3 GLU 8 3HG GLU 8 -0.531 -5.777 -13.539 55 H ASP 9 H ASP 9 0.263 -0.937 -11.804 56 HA ASP 9 HA ASP 9 2.284 0.221 -13.593 57 HB2 ASP 9 2HB ASP 9 -0.509 1.148 -12.770 58 HB3 ASP 9 3HB ASP 9 0.574 2.040 -13.846 59 H MET 10 H MET 10 2.819 -0.291 -10.678 60 HA MET 10 HA MET 10 2.442 2.182 -9.295 61 HB2 MET 10 2HB MET 10 2.591 -0.011 -8.165 62 HB3 MET 10 3HB MET 10 4.234 -0.238 -8.778 63 HG2 MET 10 2HG MET 10 5.112 1.510 -7.399 64 HG3 MET 10 3HG MET 10 3.503 2.146 -7.032 65 HE1 MET 10 3HE MET 10 4.208 2.034 -4.230 66 HE2 MET 10 1HE MET 10 5.156 0.609 -3.685 67 HE3 MET 10 2HE MET 10 5.766 1.633 -5.029 68 H THR 11 H THR 11 3.454 4.028 -10.071 69 HA THR 11 HA THR 11 6.080 3.998 -11.108 70 HB THR 11 HB THR 11 4.426 6.244 -9.840 71 HG1 THR 11 HG1 THR 11 4.070 6.778 -12.114 72 HG21 THR 11 3HG2 THR 11 6.944 6.358 -11.574 73 HG22 THR 11 1HG2 THR 11 5.969 7.769 -11.040 74 HG23 THR 11 2HG2 THR 11 6.839 6.768 -9.828 75 H CYS 12 H CYS 12 8.105 4.394 -10.084 76 HA CYS 12 HA CYS 12 8.092 3.558 -7.242 77 HB2 CYS 12 2HB CYS 12 10.168 4.005 -9.496 78 HB3 CYS 12 3HB CYS 12 10.500 3.191 -7.961 79 HG CYS 12 HG CYS 12 9.207 0.867 -8.541 80 H GLY 13 H GLY 13 8.498 4.871 -5.561 81 HA2 GLY 13 2HA GLY 13 9.622 6.553 -4.471 82 HA3 GLY 13 3HA GLY 13 10.165 7.217 -6.017 83 H HIS 14 H HIS 14 6.875 6.614 -6.472 84 HA HIS 14 HA HIS 14 6.149 9.283 -5.468 85 HB2 HIS 14 2HB HIS 14 5.664 8.162 -8.272 86 HB3 HIS 14 3HB HIS 14 4.949 9.651 -7.641 87 HD2 HIS 14 HD2 HIS 14 8.111 8.518 -9.473 88 HE1 HIS 14 HE1 HIS 14 8.932 12.425 -7.933 89 H CYS 15 H CYS 15 5.596 6.208 -4.842 90 HA CYS 15 HA CYS 15 2.662 6.484 -4.545 91 HB2 CYS 15 2HB CYS 15 3.293 5.496 -6.839 92 HB3 CYS 15 3HB CYS 15 4.293 4.295 -6.010 93 HG CYS 15 HG CYS 15 0.937 4.336 -6.399 94 H ALA 16 H ALA 16 5.749 4.690 -3.938 95 HA ALA 16 HA ALA 16 4.669 2.947 -2.028 96 HB1 ALA 16 3HB ALA 16 7.479 4.119 -2.315 97 HB2 ALA 16 1HB ALA 16 7.034 2.691 -1.320 98 HB3 ALA 16 2HB ALA 16 6.860 2.630 -3.107 99 H GLY 17 H GLY 17 6.185 6.258 -1.660 100 HA2 GLY 17 2HA GLY 17 5.997 6.297 1.149 101 HA3 GLY 17 3HA GLY 17 6.132 7.687 0.064 102 H VAL 18 H VAL 18 3.649 7.224 -1.470 103 HA VAL 18 HA VAL 18 1.925 8.613 0.258 104 HB VAL 18 HB VAL 18 1.484 7.246 -2.440 105 HG11 VAL 18 1HG1 VAL 18 -0.601 8.578 -2.590 106 HG12 VAL 18 2HG1 VAL 18 -0.654 7.403 -1.232 107 HG13 VAL 18 3HG1 VAL 18 -0.355 9.143 -0.903 108 HG21 VAL 18 3HG2 VAL 18 3.070 9.124 -2.469 109 HG22 VAL 18 1HG2 VAL 18 1.542 9.566 -3.302 110 HG23 VAL 18 2HG2 VAL 18 1.867 10.170 -1.642 111 H ILE 19 H ILE 19 1.873 5.186 -1.024 112 HA ILE 19 HA ILE 19 -0.573 4.571 0.217 113 HB ILE 19 HB ILE 19 1.728 2.860 -0.840 114 HG12 ILE 19 2HG1 ILE 19 -1.091 3.340 -1.912 115 HG13 ILE 19 3HG1 ILE 19 0.330 4.256 -2.429 116 HG21 ILE 19 1HG2 ILE 19 0.192 0.930 -0.680 117 HG22 ILE 19 2HG2 ILE 19 0.576 1.615 0.936 118 HG23 ILE 19 3HG2 ILE 19 -1.010 1.961 0.168 119 HD11 ILE 19 3HD1 ILE 19 -0.046 1.240 -2.711 120 HD12 ILE 19 1HD1 ILE 19 -0.192 2.462 -4.020 121 HD13 ILE 19 2HD1 ILE 19 1.398 2.171 -3.236 122 H LYS 20 H LYS 20 2.902 4.084 1.207 123 HA LYS 20 HA LYS 20 2.380 2.469 3.420 124 HB2 LYS 20 2HB LYS 20 4.607 2.806 2.394 125 HB3 LYS 20 3HB LYS 20 4.606 4.499 2.904 126 HG2 LYS 20 2HG LYS 20 4.568 3.780 5.294 127 HG3 LYS 20 3HG LYS 20 4.567 2.086 4.784 128 HD2 LYS 20 2HD LYS 20 6.853 2.652 5.301 129 HD3 LYS 20 3HD LYS 20 6.747 2.527 3.540 130 HE2 LYS 20 2HE LYS 20 6.573 4.984 3.334 131 HE3 LYS 20 3HE LYS 20 6.544 5.159 5.094 132 HZ1 LYS 20 3HZ LYS 20 8.792 4.058 3.532 133 HZ2 LYS 20 1HZ LYS 20 8.732 5.545 4.204 134 HZ3 LYS 20 2HZ LYS 20 8.764 4.220 5.157 135 H GLY 21 H GLY 21 2.824 6.112 3.256 136 HA2 GLY 21 2HA GLY 21 2.430 6.480 6.021 137 HA3 GLY 21 3HA GLY 21 2.301 7.701 4.749 138 H ALA 22 H ALA 22 0.122 6.486 3.201 139 HA ALA 22 HA ALA 22 -2.003 7.654 4.625 140 HB1 ALA 22 3HB ALA 22 -1.980 5.784 2.207 141 HB2 ALA 22 1HB ALA 22 -3.374 6.778 2.750 142 HB3 ALA 22 2HB ALA 22 -1.874 7.576 2.168 143 H ILE 23 H ILE 23 -1.050 4.182 4.099 144 HA ILE 23 HA ILE 23 -3.327 3.184 5.448 145 HB ILE 23 HB ILE 23 -0.585 1.981 4.829 146 HG12 ILE 23 2HG1 ILE 23 -3.325 1.457 3.584 147 HG13 ILE 23 3HG1 ILE 23 -2.148 2.599 2.923 148 HG21 ILE 23 1HG2 ILE 23 -1.603 -0.208 5.366 149 HG22 ILE 23 2HG2 ILE 23 -1.547 0.873 6.799 150 HG23 ILE 23 3HG2 ILE 23 -3.094 0.625 5.920 151 HD11 ILE 23 3HD1 ILE 23 -1.707 -0.396 3.302 152 HD12 ILE 23 1HD1 ILE 23 -2.045 0.447 1.753 153 HD13 ILE 23 2HD1 ILE 23 -0.511 0.764 2.631 154 H GLU 24 H GLU 24 0.076 3.989 6.467 155 HA GLU 24 HA GLU 24 0.018 2.828 8.976 156 HB2 GLU 24 2HB GLU 24 2.025 3.773 7.882 157 HB3 GLU 24 3HB GLU 24 1.360 5.405 8.028 158 HG2 GLU 24 2HG GLU 24 1.431 5.219 10.511 159 HG3 GLU 24 3HG GLU 24 2.079 3.579 10.374 160 H LYS 25 H LYS 25 -1.293 6.029 7.882 161 HA LYS 25 HA LYS 25 -1.770 7.026 10.469 162 HB2 LYS 25 2HB LYS 25 -2.957 7.597 7.720 163 HB3 LYS 25 3HB LYS 25 -3.469 8.470 9.171 164 HG2 LYS 25 2HG LYS 25 -1.099 9.216 9.535 165 HG3 LYS 25 3HG LYS 25 -0.623 8.380 8.050 166 HD2 LYS 25 2HD LYS 25 -2.244 9.792 6.749 167 HD3 LYS 25 3HD LYS 25 -2.687 10.640 8.236 168 HE2 LYS 25 2HE LYS 25 -0.324 11.398 8.518 169 HE3 LYS 25 3HE LYS 25 0.136 10.533 7.046 170 HZ1 LYS 25 3HZ LYS 25 -1.804 12.752 7.178 171 HZ2 LYS 25 1HZ LYS 25 -0.274 12.851 6.617 172 HZ3 LYS 25 2HZ LYS 25 -1.380 11.952 5.819 173 H THR 26 H THR 26 -3.621 4.802 8.332 174 HA THR 26 HA THR 26 -5.926 5.051 10.089 175 HB THR 26 HB THR 26 -7.055 3.603 8.423 176 HG1 THR 26 HG1 THR 26 -4.391 3.182 7.655 177 HG21 THR 26 3HG2 THR 26 -5.461 5.884 7.153 178 HG22 THR 26 1HG2 THR 26 -6.962 5.153 6.492 179 HG23 THR 26 2HG2 THR 26 -7.009 6.043 8.051 180 H VAL 27 H VAL 27 -3.080 3.055 9.658 181 HA VAL 27 HA VAL 27 -4.342 1.018 11.359 182 HB VAL 27 HB VAL 27 -2.176 0.576 9.239 183 HG11 VAL 27 1HG1 VAL 27 -2.562 -1.824 9.712 184 HG12 VAL 27 2HG1 VAL 27 -1.989 -0.940 11.167 185 HG13 VAL 27 3HG1 VAL 27 -3.723 -1.378 11.007 186 HG21 VAL 27 3HG2 VAL 27 -4.355 1.058 8.206 187 HG22 VAL 27 1HG2 VAL 27 -3.923 -0.674 8.008 188 HG23 VAL 27 2HG2 VAL 27 -5.135 -0.185 9.241 189 HA PRO 28 HA PRO 28 -0.729 2.800 13.602 190 HB2 PRO 28 2HB PRO 28 -1.945 2.791 16.088 191 HB3 PRO 28 3HB PRO 28 -2.261 4.095 14.936 192 HG2 PRO 28 2HG PRO 28 -3.923 1.620 15.518 193 HG3 PRO 28 3HG PRO 28 -4.455 3.297 15.341 194 HD2 PRO 28 2HD PRO 28 -4.685 1.517 13.288 195 HD3 PRO 28 3HD PRO 28 -4.351 3.226 12.983 196 H GLY 29 H GLY 29 0.910 1.808 14.707 197 HA2 GLY 29 2HA GLY 29 1.860 0.213 16.036 198 HA3 GLY 29 3HA GLY 29 0.317 -0.646 16.133 199 H ALA 30 H ALA 30 -0.434 -1.624 13.841 200 HA ALA 30 HA ALA 30 1.397 -3.524 13.037 201 HB1 ALA 30 3HB ALA 30 -0.920 -2.266 11.488 202 HB2 ALA 30 1HB ALA 30 -0.112 -3.820 11.089 203 HB3 ALA 30 2HB ALA 30 -1.026 -3.652 12.625 204 H ALA 31 H ALA 31 2.876 -3.748 11.298 205 HA ALA 31 HA ALA 31 4.000 -1.158 10.560 206 HB1 ALA 31 3HB ALA 31 5.049 -4.021 10.327 207 HB2 ALA 31 1HB ALA 31 5.970 -2.532 9.928 208 HB3 ALA 31 2HB ALA 31 5.451 -2.842 11.620 209 H VAL 32 H VAL 32 3.834 -0.275 8.540 210 HA VAL 32 HA VAL 32 2.876 -2.077 6.428 211 HB VAL 32 HB VAL 32 2.689 0.974 6.676 212 HG11 VAL 32 1HG1 VAL 32 1.242 0.830 4.679 213 HG12 VAL 32 2HG1 VAL 32 2.908 0.250 4.343 214 HG13 VAL 32 3HG1 VAL 32 1.575 -0.931 4.569 215 HG21 VAL 32 3HG2 VAL 32 1.210 -0.195 8.253 216 HG22 VAL 32 1HG2 VAL 32 0.261 0.571 6.935 217 HG23 VAL 32 2HG2 VAL 32 0.557 -1.200 6.916 218 H HIS 33 H HIS 33 4.275 -2.523 4.743 219 HA HIS 33 HA HIS 33 6.532 -0.660 4.372 220 HB2 HIS 33 2HB HIS 33 6.589 -3.719 4.255 221 HB3 HIS 33 3HB HIS 33 7.942 -2.647 3.871 222 HD2 HIS 33 HD2 HIS 33 6.216 -4.240 6.972 223 HE1 HIS 33 HE1 HIS 33 9.324 -1.660 8.388 224 H ALA 34 H ALA 34 6.269 0.296 2.385 225 HA ALA 34 HA ALA 34 5.222 -1.405 0.219 226 HB1 ALA 34 3HB ALA 34 5.482 1.631 0.481 227 HB2 ALA 34 1HB ALA 34 4.823 0.754 -0.941 228 HB3 ALA 34 2HB ALA 34 3.970 0.675 0.638 229 H ASP 35 H ASP 35 6.570 -2.069 -1.409 230 HA ASP 35 HA ASP 35 9.162 -0.668 -1.609 231 HB2 ASP 35 2HB ASP 35 9.348 -2.977 -0.698 232 HB3 ASP 35 3HB ASP 35 8.492 -3.607 -2.112 233 HA PRO 36 HA PRO 36 7.411 0.110 -5.687 234 HB2 PRO 36 2HB PRO 36 9.302 2.033 -6.368 235 HB3 PRO 36 3HB PRO 36 7.980 2.426 -5.261 236 HG2 PRO 36 2HG PRO 36 10.846 1.672 -4.621 237 HG3 PRO 36 3HG PRO 36 9.854 2.961 -3.927 238 HD2 PRO 36 2HD PRO 36 10.219 0.580 -2.631 239 HD3 PRO 36 3HD PRO 36 8.710 1.490 -2.481 240 H ALA 37 H ALA 37 10.671 -0.982 -4.829 241 HA ALA 37 HA ALA 37 11.504 -1.511 -7.480 242 HB1 ALA 37 3HB ALA 37 12.205 -2.847 -4.821 243 HB2 ALA 37 1HB ALA 37 13.103 -3.046 -6.363 244 HB3 ALA 37 2HB ALA 37 13.042 -1.441 -5.559 245 H SER 38 H SER 38 9.527 -3.380 -5.085 246 HA SER 38 HA SER 38 9.211 -5.484 -7.112 247 HB2 SER 38 2HB SER 38 8.352 -5.292 -4.189 248 HB3 SER 38 3HB SER 38 8.079 -6.684 -5.244 249 HG SER 38 HG SER 38 9.969 -6.926 -3.931 250 H ARG 39 H ARG 39 7.814 -2.501 -6.361 251 HA ARG 39 HA ARG 39 5.834 -1.574 -6.651 252 HB2 ARG 39 2HB ARG 39 5.459 -3.833 -8.634 253 HB3 ARG 39 3HB ARG 39 4.409 -2.417 -8.490 254 HG2 ARG 39 2HG ARG 39 6.397 -0.952 -8.970 255 HG3 ARG 39 3HG ARG 39 7.369 -2.408 -9.221 256 HD2 ARG 39 2HD ARG 39 5.695 -3.079 -10.994 257 HD3 ARG 39 3HD ARG 39 4.993 -1.465 -10.827 258 HE ARG 39 HE ARG 39 7.769 -1.174 -11.285 259 HH11 ARG 39 1HH1 ARG 39 4.921 -2.330 -12.992 260 HH12 ARG 39 2HH1 ARG 39 5.530 -1.876 -14.549 261 HH21 ARG 39 1HH2 ARG 39 8.541 -0.611 -13.287 262 HH22 ARG 39 2HH2 ARG 39 7.609 -0.890 -14.720 263 H THR 40 H THR 40 5.993 -3.282 -4.342 264 HA THR 40 HA THR 40 3.255 -4.302 -4.259 265 HB THR 40 HB THR 40 5.759 -5.818 -3.353 266 HG1 THR 40 HG1 THR 40 3.826 -6.950 -5.101 267 HG21 THR 40 3HG2 THR 40 2.797 -6.541 -3.126 268 HG22 THR 40 1HG2 THR 40 4.177 -7.610 -2.704 269 HG23 THR 40 2HG2 THR 40 3.889 -6.103 -1.769 270 H VAL 41 H VAL 41 2.213 -3.967 -2.255 271 HA VAL 41 HA VAL 41 3.936 -2.872 -0.137 272 HB VAL 41 HB VAL 41 2.460 -1.133 -1.032 273 HG11 VAL 41 1HG1 VAL 41 -0.002 -1.370 -0.949 274 HG12 VAL 41 2HG1 VAL 41 0.750 -2.581 -2.042 275 HG13 VAL 41 3HG1 VAL 41 0.184 -3.073 -0.409 276 HG21 VAL 41 3HG2 VAL 41 2.873 -1.146 1.391 277 HG22 VAL 41 1HG2 VAL 41 1.221 -0.544 1.028 278 HG23 VAL 41 2HG2 VAL 41 1.452 -2.216 1.640 279 H VAL 42 H VAL 42 3.849 -3.899 1.861 280 HA VAL 42 HA VAL 42 1.725 -5.911 2.157 281 HB VAL 42 HB VAL 42 4.606 -5.948 3.194 282 HG11 VAL 42 1HG1 VAL 42 4.051 -8.204 4.049 283 HG12 VAL 42 2HG1 VAL 42 3.051 -6.930 4.825 284 HG13 VAL 42 3HG1 VAL 42 2.344 -7.970 3.543 285 HG21 VAL 42 3HG2 VAL 42 4.427 -6.455 0.795 286 HG22 VAL 42 1HG2 VAL 42 4.843 -7.931 1.731 287 HG23 VAL 42 2HG2 VAL 42 3.166 -7.687 1.137 288 H VAL 43 H VAL 43 0.443 -5.761 3.998 289 HA VAL 43 HA VAL 43 1.354 -3.832 6.021 290 HB VAL 43 HB VAL 43 -1.484 -4.686 5.251 291 HG11 VAL 43 1HG1 VAL 43 -2.209 -2.921 6.831 292 HG12 VAL 43 2HG1 VAL 43 -1.284 -4.220 7.658 293 HG13 VAL 43 3HG1 VAL 43 -0.497 -2.645 7.300 294 HG21 VAL 43 3HG2 VAL 43 -0.442 -3.216 3.579 295 HG22 VAL 43 1HG2 VAL 43 -1.725 -2.344 4.484 296 HG23 VAL 43 2HG2 VAL 43 0.005 -2.047 4.866 297 H GLY 44 H GLY 44 1.930 -4.741 7.980 298 HA2 GLY 44 2HA GLY 44 1.578 -7.555 8.335 299 HA3 GLY 44 3HA GLY 44 2.348 -6.408 9.439 300 H GLY 45 H GLY 45 0.437 -8.651 10.075 301 HA2 GLY 45 2HA GLY 45 -1.029 -8.833 11.802 302 HA3 GLY 45 3HA GLY 45 -1.226 -7.076 11.835 303 H VAL 46 H VAL 46 -3.121 -6.198 11.009 304 HA VAL 46 HA VAL 46 -4.486 -7.618 8.896 305 HB VAL 46 HB VAL 46 -5.389 -8.679 10.958 306 HG11 VAL 46 1HG1 VAL 46 -6.734 -7.332 12.542 307 HG12 VAL 46 2HG1 VAL 46 -5.012 -6.823 12.526 308 HG13 VAL 46 3HG1 VAL 46 -6.248 -5.836 11.676 309 HG21 VAL 46 3HG2 VAL 46 -6.839 -8.411 8.991 310 HG22 VAL 46 1HG2 VAL 46 -7.785 -8.245 10.509 311 HG23 VAL 46 2HG2 VAL 46 -7.339 -6.784 9.565 312 H SER 47 H SER 47 -5.856 -6.219 7.659 313 HA SER 47 HA SER 47 -6.479 -3.591 8.695 314 HB2 SER 47 2HB SER 47 -4.179 -3.250 7.902 315 HB3 SER 47 3HB SER 47 -4.569 -3.999 6.348 316 HG SER 47 HG SER 47 -5.907 -1.666 7.386 317 H ASP 48 H ASP 48 -8.232 -2.629 7.579 318 HA ASP 48 HA ASP 48 -9.841 -4.320 6.003 319 HB2 ASP 48 2HB ASP 48 -10.631 -2.405 7.412 320 HB3 ASP 48 3HB ASP 48 -9.860 -1.277 6.289 321 H ALA 49 H ALA 49 -9.347 -5.018 3.956 322 HA ALA 49 HA ALA 49 -7.377 -3.771 2.385 323 HB1 ALA 49 3HB ALA 49 -9.595 -5.747 1.651 324 HB2 ALA 49 1HB ALA 49 -8.161 -5.359 0.641 325 HB3 ALA 49 2HB ALA 49 -7.947 -6.163 2.233 326 H ALA 50 H ALA 50 -10.883 -3.208 2.700 327 HA ALA 50 HA ALA 50 -11.342 -2.132 0.153 328 HB1 ALA 50 3HB ALA 50 -12.631 -1.513 2.857 329 HB2 ALA 50 1HB ALA 50 -13.306 -1.079 1.250 330 HB3 ALA 50 2HB ALA 50 -13.127 -2.805 1.712 331 H HIS 51 H HIS 51 -10.186 -0.583 3.238 332 HA HIS 51 HA HIS 51 -10.217 2.031 2.115 333 HB2 HIS 51 2HB HIS 51 -8.929 0.762 4.572 334 HB3 HIS 51 3HB HIS 51 -8.676 2.462 4.155 335 HD2 HIS 51 HD2 HIS 51 -10.961 0.542 6.371 336 HE1 HIS 51 HE1 HIS 51 -13.309 3.873 5.058 337 H ILE 52 H ILE 52 -7.739 -0.598 2.408 338 HA ILE 52 HA ILE 52 -5.566 0.969 1.605 339 HB ILE 52 HB ILE 52 -6.169 -2.019 1.399 340 HG12 ILE 52 2HG1 ILE 52 -4.242 -0.474 3.192 341 HG13 ILE 52 3HG1 ILE 52 -5.892 -0.904 3.663 342 HG21 ILE 52 1HG2 ILE 52 -3.767 -2.335 0.908 343 HG22 ILE 52 2HG2 ILE 52 -4.599 -1.411 -0.389 344 HG23 ILE 52 3HG2 ILE 52 -3.559 -0.554 0.798 345 HD11 ILE 52 3HD1 ILE 52 -3.682 -2.872 2.912 346 HD12 ILE 52 1HD1 ILE 52 -4.267 -2.505 4.570 347 HD13 ILE 52 2HD1 ILE 52 -5.357 -3.309 3.391 348 H ALA 53 H ALA 53 -8.040 -0.920 -0.270 349 HA ALA 53 HA ALA 53 -6.791 -0.594 -2.777 350 HB1 ALA 53 3HB ALA 53 -9.727 -0.964 -2.007 351 HB2 ALA 53 1HB ALA 53 -9.042 -1.171 -3.654 352 HB3 ALA 53 2HB ALA 53 -8.538 -2.271 -2.326 353 H GLU 54 H GLU 54 -9.148 1.454 -0.923 354 HA GLU 54 HA GLU 54 -9.556 3.316 -3.001 355 HB2 GLU 54 2HB GLU 54 -9.740 3.456 0.042 356 HB3 GLU 54 3HB GLU 54 -10.137 4.831 -0.997 357 HG2 GLU 54 2HG GLU 54 -11.937 3.561 -2.081 358 HG3 GLU 54 3HG GLU 54 -11.484 2.094 -1.204 359 H ILE 55 H ILE 55 -7.015 2.999 -0.438 360 HA ILE 55 HA ILE 55 -5.897 5.534 -0.860 361 HB ILE 55 HB ILE 55 -4.797 2.899 0.222 362 HG12 ILE 55 2HG1 ILE 55 -5.364 5.547 1.628 363 HG13 ILE 55 3HG1 ILE 55 -6.571 4.265 1.468 364 HG21 ILE 55 1HG2 ILE 55 -2.830 4.175 1.011 365 HG22 ILE 55 2HG2 ILE 55 -2.930 4.143 -0.782 366 HG23 ILE 55 3HG2 ILE 55 -3.413 5.620 0.118 367 HD11 ILE 55 3HD1 ILE 55 -3.863 4.000 2.850 368 HD12 ILE 55 1HD1 ILE 55 -5.460 4.166 3.654 369 HD13 ILE 55 2HD1 ILE 55 -5.089 2.698 2.688 370 H ILE 56 H ILE 56 -5.161 2.262 -2.304 371 HA ILE 56 HA ILE 56 -2.952 3.110 -3.777 372 HB ILE 56 HB ILE 56 -4.979 0.861 -4.195 373 HG12 ILE 56 2HG1 ILE 56 -2.062 0.776 -3.302 374 HG13 ILE 56 3HG1 ILE 56 -3.420 0.883 -2.174 375 HG21 ILE 56 1HG2 ILE 56 -3.374 -0.104 -5.808 376 HG22 ILE 56 2HG2 ILE 56 -4.024 1.473 -6.372 377 HG23 ILE 56 3HG2 ILE 56 -2.367 1.378 -5.686 378 HD11 ILE 56 3HD1 ILE 56 -2.946 -1.364 -4.183 379 HD12 ILE 56 1HD1 ILE 56 -2.651 -1.434 -2.413 380 HD13 ILE 56 2HD1 ILE 56 -4.325 -1.255 -3.038 381 H THR 57 H THR 57 -6.497 2.952 -4.638 382 HA THR 57 HA THR 57 -6.131 3.831 -7.277 383 HB THR 57 HB THR 57 -8.527 4.075 -5.382 384 HG1 THR 57 HG1 THR 57 -8.100 1.902 -5.756 385 HG21 THR 57 3HG2 THR 57 -8.358 4.357 -8.423 386 HG22 THR 57 1HG2 THR 57 -9.867 4.345 -7.449 387 HG23 THR 57 2HG2 THR 57 -8.682 5.680 -7.252 388 H ALA 58 H ALA 58 -6.570 5.580 -4.134 389 HA ALA 58 HA ALA 58 -7.145 8.090 -5.266 390 HB1 ALA 58 3HB ALA 58 -5.848 7.323 -2.605 391 HB2 ALA 58 1HB ALA 58 -6.524 8.935 -3.015 392 HB3 ALA 58 2HB ALA 58 -7.607 7.505 -2.919 393 H ALA 59 H ALA 59 -4.046 6.368 -4.629 394 HA ALA 59 HA ALA 59 -2.449 8.682 -5.177 395 HB1 ALA 59 3HB ALA 59 -1.821 5.688 -5.185 396 HB2 ALA 59 1HB ALA 59 -0.611 7.013 -5.262 397 HB3 ALA 59 2HB ALA 59 -1.631 6.812 -3.798 398 H GLY 60 H GLY 60 -4.328 6.503 -7.167 399 HA2 GLY 60 2HA GLY 60 -4.748 6.910 -9.377 400 HA3 GLY 60 3HA GLY 60 -3.333 7.966 -9.469 401 H TYR 61 H TYR 61 -2.709 4.865 -7.939 402 HA TYR 61 HA TYR 61 -1.585 3.896 -10.490 403 HB2 TYR 61 2HB TYR 61 -0.405 3.625 -7.682 404 HB3 TYR 61 3HB TYR 61 0.291 2.981 -9.175 405 HD1 TYR 61 HD1 TYR 61 0.862 4.725 -11.048 406 HD2 TYR 61 HD2 TYR 61 0.202 5.770 -6.938 407 HE1 TYR 61 HE1 TYR 61 2.091 6.845 -11.393 408 HE2 TYR 61 HE2 TYR 61 1.430 7.892 -7.275 409 HH TYR 61 HH TYR 61 2.533 9.183 -8.686 410 H THR 62 H THR 62 -3.656 2.671 -10.725 411 HA THR 62 HA THR 62 -3.876 0.460 -8.838 412 HB THR 62 HB THR 62 -5.958 -0.080 -10.102 413 HG1 THR 62 HG1 THR 62 -6.661 1.496 -11.716 414 HG21 THR 62 3HG2 THR 62 -5.730 2.852 -9.263 415 HG22 THR 62 1HG2 THR 62 -7.257 1.922 -9.435 416 HG23 THR 62 2HG2 THR 62 -6.061 1.461 -8.177 417 HA PRO 63 HA PRO 63 -1.896 -2.338 -11.671 418 HB2 PRO 63 2HB PRO 63 -3.006 -4.722 -10.778 419 HB3 PRO 63 3HB PRO 63 -1.856 -3.839 -9.765 420 HG2 PRO 63 2HG PRO 63 -4.886 -3.860 -9.640 421 HG3 PRO 63 3HG PRO 63 -3.717 -3.977 -8.317 422 HD2 PRO 63 2HD PRO 63 -4.970 -1.620 -8.930 423 HD3 PRO 63 3HD PRO 63 -3.327 -1.655 -8.276 424 H GLU 64 H GLU 64 -2.248 -3.933 -13.396 425 HA GLU 64 HA GLU 64 -4.288 -3.109 -15.102 426 HB2 GLU 64 2HB GLU 64 -2.156 -4.207 -15.780 427 HB3 GLU 64 3HB GLU 64 -2.703 -5.723 -15.051 428 HG2 GLU 64 2HG GLU 64 -4.592 -5.835 -16.660 429 HG3 GLU 64 3HG GLU 64 -4.094 -4.294 -17.371 Start of MODEL 4 1 H ALA 1 1H ALA 1 3.520 -12.508 7.845 2 HA ALA 1 HA ALA 1 1.671 -12.890 6.419 3 HB1 ALA 1 3HB ALA 1 1.142 -13.361 9.394 4 HB2 ALA 1 1HB ALA 1 0.324 -14.206 8.037 5 HB3 ALA 1 2HB ALA 1 2.088 -14.425 8.299 6 H GLY 2 H GLY 2 1.089 -10.499 5.839 7 HA2 GLY 2 2HA GLY 2 -1.480 -9.887 7.180 8 HA3 GLY 2 3HA GLY 2 -0.324 -8.645 6.681 9 H LEU 3 H LEU 3 -1.375 -7.546 5.020 10 HA LEU 3 HA LEU 3 -2.633 -9.176 2.924 11 HB2 LEU 3 2HB LEU 3 -2.707 -6.178 3.526 12 HB3 LEU 3 3HB LEU 3 -3.561 -6.970 2.195 13 HG LEU 3 HG LEU 3 -4.049 -7.529 5.170 14 HD11 LEU 3 1HD1 LEU 3 -6.170 -6.326 4.805 15 HD12 LEU 3 2HD1 LEU 3 -4.751 -5.266 4.507 16 HD13 LEU 3 3HD1 LEU 3 -5.669 -5.948 3.122 17 HD21 LEU 3 3HD2 LEU 3 -4.485 -9.469 3.704 18 HD22 LEU 3 1HD2 LEU 3 -6.018 -8.772 4.329 19 HD23 LEU 3 2HD2 LEU 3 -5.505 -8.442 2.640 20 H SER 4 H SER 4 -1.982 -9.067 0.736 21 HA SER 4 HA SER 4 0.463 -7.484 0.245 22 HB2 SER 4 2HB SER 4 1.003 -9.873 0.418 23 HB3 SER 4 3HB SER 4 -0.279 -10.278 -0.731 24 HG SER 4 HG SER 4 1.807 -10.182 -1.729 25 H PHE 5 H PHE 5 0.311 -6.050 -1.436 26 HA PHE 5 HA PHE 5 -1.721 -6.647 -3.493 27 HB2 PHE 5 2HB PHE 5 -0.896 -3.924 -2.372 28 HB3 PHE 5 3HB PHE 5 -1.993 -4.181 -3.735 29 HD1 PHE 5 HD1 PHE 5 -4.260 -5.039 -3.389 30 HD2 PHE 5 HD2 PHE 5 -1.599 -4.402 -0.077 31 HE1 PHE 5 HE1 PHE 5 -6.171 -5.187 -1.825 32 HE2 PHE 5 HE2 PHE 5 -3.513 -4.552 1.487 33 HZ PHE 5 HZ PHE 5 -5.800 -4.947 0.618 34 H HIS 6 H HIS 6 -1.093 -6.311 -5.663 35 HA HIS 6 HA HIS 6 1.727 -5.532 -6.021 36 HB2 HIS 6 2HB HIS 6 1.495 -8.017 -6.047 37 HB3 HIS 6 3HB HIS 6 0.272 -7.891 -7.318 38 HD2 HIS 6 HD2 HIS 6 1.314 -7.989 -9.854 39 HE1 HIS 6 HE1 HIS 6 5.374 -7.089 -8.843 40 H VAL 7 H VAL 7 1.994 -3.956 -7.566 41 HA VAL 7 HA VAL 7 -0.238 -3.596 -9.440 42 HB VAL 7 HB VAL 7 1.261 -1.414 -7.900 43 HG11 VAL 7 1HG1 VAL 7 -0.325 0.137 -8.999 44 HG12 VAL 7 2HG1 VAL 7 0.708 -0.721 -10.192 45 HG13 VAL 7 3HG1 VAL 7 -0.997 -1.231 -9.949 46 HG21 VAL 7 3HG2 VAL 7 -0.371 -2.610 -6.502 47 HG22 VAL 7 1HG2 VAL 7 -0.945 -0.950 -6.876 48 HG23 VAL 7 2HG2 VAL 7 -1.640 -2.358 -7.747 49 H GLU 8 H GLU 8 0.507 -3.729 -11.535 50 HA GLU 8 HA GLU 8 3.341 -3.765 -11.979 51 HB2 GLU 8 2HB GLU 8 0.905 -4.009 -13.805 52 HB3 GLU 8 3HB GLU 8 2.573 -4.130 -14.380 53 HG2 GLU 8 2HG GLU 8 1.357 -5.955 -12.249 54 HG3 GLU 8 3HG GLU 8 1.434 -6.347 -13.972 55 H ASP 9 H ASP 9 0.653 -1.421 -12.460 56 HA ASP 9 HA ASP 9 2.281 0.121 -14.320 57 HB2 ASP 9 2HB ASP 9 -0.560 0.470 -13.247 58 HB3 ASP 9 3HB ASP 9 0.203 1.532 -14.438 59 H MET 10 H MET 10 2.442 -0.207 -11.058 60 HA MET 10 HA MET 10 2.056 2.466 -10.160 61 HB2 MET 10 2HB MET 10 1.940 0.477 -8.692 62 HB3 MET 10 3HB MET 10 3.637 0.110 -9.024 63 HG2 MET 10 2HG MET 10 4.324 2.235 -7.945 64 HG3 MET 10 3HG MET 10 2.629 2.643 -7.644 65 HE1 MET 10 3HE MET 10 1.082 0.421 -6.614 66 HE2 MET 10 1HE MET 10 1.509 0.184 -4.886 67 HE3 MET 10 2HE MET 10 1.292 1.844 -5.539 68 H THR 11 H THR 11 3.314 4.210 -10.749 69 HA THR 11 HA THR 11 6.003 4.017 -11.509 70 HB THR 11 HB THR 11 4.478 6.320 -10.185 71 HG1 THR 11 HG1 THR 11 4.285 7.024 -12.434 72 HG21 THR 11 3HG2 THR 11 7.075 6.293 -11.801 73 HG22 THR 11 1HG2 THR 11 6.214 7.757 -11.217 74 HG23 THR 11 2HG2 THR 11 6.926 6.604 -10.038 75 H CYS 12 H CYS 12 7.974 4.256 -10.294 76 HA CYS 12 HA CYS 12 7.609 3.260 -7.497 77 HB2 CYS 12 2HB CYS 12 9.777 3.161 -9.706 78 HB3 CYS 12 3HB CYS 12 9.900 2.337 -8.146 79 HG CYS 12 HG CYS 12 8.695 0.155 -8.920 80 H GLY 13 H GLY 13 8.450 4.316 -5.772 81 HA2 GLY 13 2HA GLY 13 9.977 5.701 -4.723 82 HA3 GLY 13 3HA GLY 13 10.451 6.388 -6.283 83 H HIS 14 H HIS 14 7.061 6.264 -6.332 84 HA HIS 14 HA HIS 14 6.829 8.911 -5.071 85 HB2 HIS 14 2HB HIS 14 5.871 8.143 -7.875 86 HB3 HIS 14 3HB HIS 14 5.483 9.654 -7.043 87 HD2 HIS 14 HD2 HIS 14 8.199 8.234 -9.339 88 HE1 HIS 14 HE1 HIS 14 9.787 11.829 -7.643 89 H CYS 15 H CYS 15 5.998 6.169 -4.169 90 HA CYS 15 HA CYS 15 3.069 6.551 -3.988 91 HB2 CYS 15 2HB CYS 15 2.811 4.293 -4.998 92 HB3 CYS 15 3HB CYS 15 3.693 5.309 -6.146 93 HG CYS 15 HG CYS 15 4.586 2.405 -5.382 94 H ALA 16 H ALA 16 6.118 4.850 -3.076 95 HA ALA 16 HA ALA 16 4.973 3.243 -1.091 96 HB1 ALA 16 3HB ALA 16 7.765 4.474 -1.310 97 HB2 ALA 16 1HB ALA 16 7.299 3.117 -0.230 98 HB3 ALA 16 2HB ALA 16 7.233 2.908 -2.012 99 H GLY 17 H GLY 17 6.373 6.617 -0.907 100 HA2 GLY 17 2HA GLY 17 6.071 6.870 1.875 101 HA3 GLY 17 3HA GLY 17 6.184 8.177 0.689 102 H VAL 18 H VAL 18 3.785 7.516 -0.883 103 HA VAL 18 HA VAL 18 1.951 8.922 0.742 104 HB VAL 18 HB VAL 18 1.685 7.521 -1.964 105 HG11 VAL 18 1HG1 VAL 18 -0.427 8.787 -2.233 106 HG12 VAL 18 2HG1 VAL 18 -0.515 7.622 -0.868 107 HG13 VAL 18 3HG1 VAL 18 -0.285 9.373 -0.541 108 HG21 VAL 18 3HG2 VAL 18 3.214 9.445 -1.929 109 HG22 VAL 18 1HG2 VAL 18 1.718 9.835 -2.843 110 HG23 VAL 18 2HG2 VAL 18 1.940 10.461 -1.175 111 H ILE 19 H ILE 19 2.069 5.481 -0.493 112 HA ILE 19 HA ILE 19 -0.450 4.826 0.558 113 HB ILE 19 HB ILE 19 1.965 3.151 -0.280 114 HG12 ILE 19 2HG1 ILE 19 -0.760 3.527 -1.603 115 HG13 ILE 19 3HG1 ILE 19 0.654 4.518 -1.987 116 HG21 ILE 19 1HG2 ILE 19 0.453 1.193 -0.228 117 HG22 ILE 19 2HG2 ILE 19 0.684 1.903 1.406 118 HG23 ILE 19 3HG2 ILE 19 -0.835 2.212 0.499 119 HD11 ILE 19 3HD1 ILE 19 0.463 1.488 -2.303 120 HD12 ILE 19 1HD1 ILE 19 0.374 2.706 -3.619 121 HD13 ILE 19 2HD1 ILE 19 1.898 2.494 -2.693 122 H LYS 20 H LYS 20 2.942 4.395 1.828 123 HA LYS 20 HA LYS 20 2.238 2.862 4.057 124 HB2 LYS 20 2HB LYS 20 4.538 3.135 3.184 125 HB3 LYS 20 3HB LYS 20 4.522 4.847 3.627 126 HG2 LYS 20 2HG LYS 20 4.271 4.204 6.039 127 HG3 LYS 20 3HG LYS 20 4.338 2.497 5.577 128 HD2 LYS 20 2HD LYS 20 6.607 2.915 4.528 129 HD3 LYS 20 3HD LYS 20 6.539 4.581 5.118 130 HE2 LYS 20 2HE LYS 20 6.327 2.112 6.920 131 HE3 LYS 20 3HE LYS 20 7.835 2.982 6.606 132 HZ1 LYS 20 3HZ LYS 20 5.465 3.928 8.047 133 HZ2 LYS 20 1HZ LYS 20 7.023 3.911 8.536 134 HZ3 LYS 20 2HZ LYS 20 6.529 4.998 7.422 135 H GLY 21 H GLY 21 2.730 6.491 3.766 136 HA2 GLY 21 2HA GLY 21 2.161 7.011 6.464 137 HA3 GLY 21 3HA GLY 21 2.076 8.154 5.116 138 H ALA 22 H ALA 22 -0.002 6.785 3.543 139 HA ALA 22 HA ALA 22 -2.201 8.033 4.783 140 HB1 ALA 22 3HB ALA 22 -2.045 6.034 2.475 141 HB2 ALA 22 1HB ALA 22 -3.468 7.049 2.889 142 HB3 ALA 22 2HB ALA 22 -1.941 7.822 2.345 143 H ILE 23 H ILE 23 -1.236 4.535 4.471 144 HA ILE 23 HA ILE 23 -3.653 3.635 5.655 145 HB ILE 23 HB ILE 23 -0.939 2.294 5.201 146 HG12 ILE 23 2HG1 ILE 23 -3.595 1.904 3.749 147 HG13 ILE 23 3HG1 ILE 23 -2.354 3.042 3.207 148 HG21 ILE 23 1HG2 ILE 23 -2.118 0.161 5.626 149 HG22 ILE 23 2HG2 ILE 23 -2.111 1.221 7.076 150 HG23 ILE 23 3HG2 ILE 23 -3.597 1.073 6.078 151 HD11 ILE 23 3HD1 ILE 23 -1.991 0.028 3.527 152 HD12 ILE 23 1HD1 ILE 23 -2.204 0.920 1.983 153 HD13 ILE 23 2HD1 ILE 23 -0.731 1.184 2.977 154 H GLU 24 H GLU 24 -0.224 4.051 6.873 155 HA GLU 24 HA GLU 24 -0.785 2.885 9.384 156 HB2 GLU 24 2HB GLU 24 1.418 4.702 8.317 157 HB3 GLU 24 3HB GLU 24 1.398 4.130 9.991 158 HG2 GLU 24 2HG GLU 24 1.491 1.784 9.227 159 HG3 GLU 24 3HG GLU 24 1.398 2.301 7.539 160 H LYS 25 H LYS 25 -1.124 6.219 8.096 161 HA LYS 25 HA LYS 25 -1.289 7.547 10.560 162 HB2 LYS 25 2HB LYS 25 -1.021 8.661 8.369 163 HB3 LYS 25 3HB LYS 25 -2.624 8.105 7.868 164 HG2 LYS 25 2HG LYS 25 -3.685 9.470 9.636 165 HG3 LYS 25 3HG LYS 25 -2.099 9.973 10.233 166 HD2 LYS 25 2HD LYS 25 -1.599 11.045 8.033 167 HD3 LYS 25 3HD LYS 25 -3.172 10.524 7.415 168 HE2 LYS 25 2HE LYS 25 -4.310 11.850 9.212 169 HE3 LYS 25 3HE LYS 25 -2.734 12.381 9.812 170 HZ1 LYS 25 3HZ LYS 25 -3.802 12.932 7.117 171 HZ2 LYS 25 1HZ LYS 25 -3.715 14.001 8.349 172 HZ3 LYS 25 2HZ LYS 25 -2.347 13.423 7.671 173 H THR 26 H THR 26 -3.735 5.678 8.651 174 HA THR 26 HA THR 26 -5.777 6.541 10.546 175 HB THR 26 HB THR 26 -7.364 5.481 8.961 176 HG1 THR 26 HG1 THR 26 -6.499 4.652 6.938 177 HG21 THR 26 3HG2 THR 26 -5.324 7.308 7.601 178 HG22 THR 26 1HG2 THR 26 -7.006 7.010 7.046 179 HG23 THR 26 2HG2 THR 26 -6.711 7.834 8.614 180 H VAL 27 H VAL 27 -3.636 3.842 9.858 181 HA VAL 27 HA VAL 27 -5.224 2.234 11.736 182 HB VAL 27 HB VAL 27 -3.496 1.222 9.421 183 HG11 VAL 27 1HG1 VAL 27 -4.428 -0.994 10.018 184 HG12 VAL 27 2HG1 VAL 27 -3.481 -0.281 11.367 185 HG13 VAL 27 3HG1 VAL 27 -5.276 -0.254 11.418 186 HG21 VAL 27 3HG2 VAL 27 -5.581 2.247 8.618 187 HG22 VAL 27 1HG2 VAL 27 -5.636 0.461 8.436 188 HG23 VAL 27 2HG2 VAL 27 -6.530 1.255 9.776 189 HA PRO 28 HA PRO 28 -1.146 3.042 13.648 190 HB2 PRO 28 2HB PRO 28 -2.095 2.905 16.261 191 HB3 PRO 28 3HB PRO 28 -2.280 4.375 15.295 192 HG2 PRO 28 2HG PRO 28 -4.292 2.152 15.789 193 HG3 PRO 28 3HG PRO 28 -4.537 3.902 15.851 194 HD2 PRO 28 2HD PRO 28 -5.275 2.481 13.656 195 HD3 PRO 28 3HD PRO 28 -4.617 4.114 13.487 196 H GLY 29 H GLY 29 0.438 1.743 14.505 197 HA2 GLY 29 2HA GLY 29 1.218 -0.108 15.635 198 HA3 GLY 29 3HA GLY 29 -0.401 -0.819 15.625 199 H ALA 30 H ALA 30 -1.229 -1.178 13.111 200 HA ALA 30 HA ALA 30 0.336 -3.187 12.032 201 HB1 ALA 30 3HB ALA 30 -1.690 -1.338 10.681 202 HB2 ALA 30 1HB ALA 30 -1.102 -2.904 10.029 203 HB3 ALA 30 2HB ALA 30 -2.056 -2.867 11.550 204 H ALA 31 H ALA 31 2.095 -3.289 10.668 205 HA ALA 31 HA ALA 31 3.265 -0.683 10.002 206 HB1 ALA 31 3HB ALA 31 4.444 -3.501 10.145 207 HB2 ALA 31 1HB ALA 31 5.357 -2.000 9.771 208 HB3 ALA 31 2HB ALA 31 4.606 -2.215 11.388 209 H VAL 32 H VAL 32 3.422 0.036 7.914 210 HA VAL 32 HA VAL 32 2.652 -1.897 5.848 211 HB VAL 32 HB VAL 32 2.649 1.165 5.849 212 HG11 VAL 32 1HG1 VAL 32 1.480 0.953 3.677 213 HG12 VAL 32 2HG1 VAL 32 3.135 0.258 3.617 214 HG13 VAL 32 3HG1 VAL 32 1.708 -0.827 3.733 215 HG21 VAL 32 3HG2 VAL 32 0.887 0.193 7.263 216 HG22 VAL 32 1HG2 VAL 32 0.186 0.916 5.776 217 HG23 VAL 32 2HG2 VAL 32 0.367 -0.866 5.909 218 H HIS 33 H HIS 33 4.198 -2.590 4.392 219 HA HIS 33 HA HIS 33 6.586 -0.883 4.098 220 HB2 HIS 33 2HB HIS 33 6.422 -3.937 4.024 221 HB3 HIS 33 3HB HIS 33 7.877 -2.970 3.749 222 HD2 HIS 33 HD2 HIS 33 5.813 -4.427 6.699 223 HE1 HIS 33 HE1 HIS 33 8.926 -2.002 8.363 224 H ALA 34 H ALA 34 6.285 0.122 2.118 225 HA ALA 34 HA ALA 34 5.258 -1.531 -0.080 226 HB1 ALA 34 3HB ALA 34 5.731 1.479 0.187 227 HB2 ALA 34 1HB ALA 34 5.038 0.649 -1.247 228 HB3 ALA 34 2HB ALA 34 4.152 0.633 0.315 229 H ASP 35 H ASP 35 6.632 -2.374 -1.594 230 HA ASP 35 HA ASP 35 9.253 -1.044 -1.878 231 HB2 ASP 35 2HB ASP 35 9.378 -3.318 -0.858 232 HB3 ASP 35 3HB ASP 35 8.516 -3.988 -2.249 233 HA PRO 36 HA PRO 36 7.253 -0.480 -5.932 234 HB2 PRO 36 2HB PRO 36 8.748 1.760 -6.593 235 HB3 PRO 36 3HB PRO 36 7.350 1.890 -5.518 236 HG2 PRO 36 2HG PRO 36 10.296 1.696 -4.800 237 HG3 PRO 36 3HG PRO 36 9.067 2.791 -4.153 238 HD2 PRO 36 2HD PRO 36 9.802 0.547 -2.794 239 HD3 PRO 36 3HD PRO 36 8.134 1.133 -2.744 240 H ALA 37 H ALA 37 10.659 -0.931 -5.035 241 HA ALA 37 HA ALA 37 11.630 -1.338 -7.636 242 HB1 ALA 37 3HB ALA 37 12.406 -2.623 -4.972 243 HB2 ALA 37 1HB ALA 37 13.386 -2.657 -6.477 244 HB3 ALA 37 2HB ALA 37 13.064 -1.095 -5.649 245 H SER 38 H SER 38 9.827 -3.514 -5.368 246 HA SER 38 HA SER 38 9.878 -5.591 -7.440 247 HB2 SER 38 2HB SER 38 8.988 -7.033 -5.732 248 HB3 SER 38 3HB SER 38 10.367 -6.160 -5.052 249 HG SER 38 HG SER 38 8.376 -4.580 -4.497 250 H ARG 39 H ARG 39 8.029 -2.842 -6.564 251 HA ARG 39 HA ARG 39 6.039 -2.112 -7.171 252 HB2 ARG 39 2HB ARG 39 5.999 -4.515 -9.017 253 HB3 ARG 39 3HB ARG 39 4.811 -3.204 -9.024 254 HG2 ARG 39 2HG ARG 39 6.855 -1.624 -9.365 255 HG3 ARG 39 3HG ARG 39 7.751 -3.095 -9.765 256 HD2 ARG 39 2HD ARG 39 5.242 -2.119 -11.143 257 HD3 ARG 39 3HD ARG 39 6.896 -1.909 -11.731 258 HE ARG 39 HE ARG 39 5.270 -4.306 -11.880 259 HH11 ARG 39 1HH1 ARG 39 8.554 -3.057 -11.978 260 HH12 ARG 39 2HH1 ARG 39 9.174 -4.438 -12.820 261 HH21 ARG 39 1HH2 ARG 39 6.078 -6.061 -12.970 262 HH22 ARG 39 2HH2 ARG 39 7.755 -6.160 -13.390 263 H THR 40 H THR 40 6.281 -3.762 -4.777 264 HA THR 40 HA THR 40 3.570 -4.865 -4.735 265 HB THR 40 HB THR 40 6.058 -6.198 -3.538 266 HG1 THR 40 HG1 THR 40 4.390 -6.744 -5.846 267 HG21 THR 40 3HG2 THR 40 3.126 -7.068 -3.611 268 HG22 THR 40 1HG2 THR 40 4.497 -8.040 -2.976 269 HG23 THR 40 2HG2 THR 40 4.030 -6.508 -2.163 270 H VAL 41 H VAL 41 2.404 -4.311 -2.879 271 HA VAL 41 HA VAL 41 3.968 -2.990 -0.769 272 HB VAL 41 HB VAL 41 1.046 -2.583 -1.594 273 HG11 VAL 41 1HG1 VAL 41 1.067 -0.739 0.059 274 HG12 VAL 41 2HG1 VAL 41 1.363 -2.333 0.833 275 HG13 VAL 41 3HG1 VAL 41 2.731 -1.203 0.550 276 HG21 VAL 41 3HG2 VAL 41 2.636 -1.605 -3.193 277 HG22 VAL 41 1HG2 VAL 41 1.799 -0.321 -2.258 278 HG23 VAL 41 2HG2 VAL 41 3.490 -0.769 -1.852 279 H VAL 42 H VAL 42 3.979 -3.993 1.226 280 HA VAL 42 HA VAL 42 1.899 -6.027 1.656 281 HB VAL 42 HB VAL 42 4.766 -5.877 2.721 282 HG11 VAL 42 1HG1 VAL 42 4.291 -8.094 3.717 283 HG12 VAL 42 2HG1 VAL 42 3.230 -6.814 4.397 284 HG13 VAL 42 3HG1 VAL 42 2.582 -7.964 3.179 285 HG21 VAL 42 3HG2 VAL 42 4.637 -6.545 0.360 286 HG22 VAL 42 1HG2 VAL 42 5.101 -7.938 1.394 287 HG23 VAL 42 2HG2 VAL 42 3.423 -7.804 0.769 288 H VAL 43 H VAL 43 0.583 -5.800 3.463 289 HA VAL 43 HA VAL 43 1.468 -3.821 5.449 290 HB VAL 43 HB VAL 43 -1.365 -4.676 4.668 291 HG11 VAL 43 1HG1 VAL 43 -2.100 -2.904 6.233 292 HG12 VAL 43 2HG1 VAL 43 -1.185 -4.202 7.073 293 HG13 VAL 43 3HG1 VAL 43 -0.392 -2.631 6.717 294 HG21 VAL 43 3HG2 VAL 43 -0.306 -3.216 2.999 295 HG22 VAL 43 1HG2 VAL 43 -1.594 -2.337 3.890 296 HG23 VAL 43 2HG2 VAL 43 0.133 -2.042 4.285 297 H GLY 44 H GLY 44 2.133 -4.782 7.360 298 HA2 GLY 44 2HA GLY 44 1.561 -7.592 7.716 299 HA3 GLY 44 3HA GLY 44 2.633 -6.566 8.678 300 H GLY 45 H GLY 45 0.824 -8.481 9.863 301 HA2 GLY 45 2HA GLY 45 -0.366 -8.407 11.799 302 HA3 GLY 45 3HA GLY 45 -0.553 -6.656 11.630 303 H VAL 46 H VAL 46 -2.632 -5.954 11.259 304 HA VAL 46 HA VAL 46 -4.254 -7.497 9.411 305 HB VAL 46 HB VAL 46 -4.836 -8.431 11.633 306 HG11 VAL 46 1HG1 VAL 46 -5.902 -6.993 13.344 307 HG12 VAL 46 2HG1 VAL 46 -4.204 -6.504 13.023 308 HG13 VAL 46 3HG1 VAL 46 -5.559 -5.547 12.335 309 HG21 VAL 46 3HG2 VAL 46 -6.584 -8.245 9.916 310 HG22 VAL 46 1HG2 VAL 46 -7.271 -7.996 11.557 311 HG23 VAL 46 2HG2 VAL 46 -6.980 -6.587 10.481 312 H SER 47 H SER 47 -5.714 -6.179 8.232 313 HA SER 47 HA SER 47 -6.371 -3.543 9.183 314 HB2 SER 47 2HB SER 47 -4.114 -3.128 8.302 315 HB3 SER 47 3HB SER 47 -4.527 -3.931 6.781 316 HG SER 47 HG SER 47 -4.691 -1.439 7.089 317 H ASP 48 H ASP 48 -8.271 -2.786 8.202 318 HA ASP 48 HA ASP 48 -9.804 -4.459 6.580 319 HB2 ASP 48 2HB ASP 48 -10.640 -2.545 7.955 320 HB3 ASP 48 3HB ASP 48 -9.851 -1.414 6.848 321 H ALA 49 H ALA 49 -9.281 -5.177 4.546 322 HA ALA 49 HA ALA 49 -7.268 -3.914 3.023 323 HB1 ALA 49 3HB ALA 49 -9.383 -5.993 2.268 324 HB2 ALA 49 1HB ALA 49 -7.925 -5.583 1.302 325 HB3 ALA 49 2HB ALA 49 -7.746 -6.331 2.925 326 H ALA 50 H ALA 50 -10.834 -3.569 3.105 327 HA ALA 50 HA ALA 50 -11.150 -2.422 0.567 328 HB1 ALA 50 3HB ALA 50 -12.679 -1.977 3.176 329 HB2 ALA 50 1HB ALA 50 -13.247 -1.514 1.536 330 HB3 ALA 50 2HB ALA 50 -13.012 -3.246 1.950 331 H HIS 51 H HIS 51 -10.272 -0.954 3.773 332 HA HIS 51 HA HIS 51 -10.402 1.710 2.827 333 HB2 HIS 51 2HB HIS 51 -10.505 1.077 5.222 334 HB3 HIS 51 3HB HIS 51 -8.856 0.443 5.143 335 HD2 HIS 51 HD2 HIS 51 -6.979 2.289 5.890 336 HE1 HIS 51 HE1 HIS 51 -9.307 5.814 5.201 337 H ILE 52 H ILE 52 -7.715 -0.739 3.058 338 HA ILE 52 HA ILE 52 -5.692 0.995 2.228 339 HB ILE 52 HB ILE 52 -6.074 -2.027 1.988 340 HG12 ILE 52 2HG1 ILE 52 -4.201 -0.383 3.747 341 HG13 ILE 52 3HG1 ILE 52 -5.814 -0.898 4.258 342 HG21 ILE 52 1HG2 ILE 52 -3.668 -2.157 1.432 343 HG22 ILE 52 2HG2 ILE 52 -4.599 -1.282 0.169 344 HG23 ILE 52 3HG2 ILE 52 -3.595 -0.365 1.343 345 HD11 ILE 52 3HD1 ILE 52 -3.529 -2.748 3.438 346 HD12 ILE 52 1HD1 ILE 52 -4.089 -2.419 5.113 347 HD13 ILE 52 2HD1 ILE 52 -5.167 -3.271 3.957 348 H ALA 53 H ALA 53 -8.054 -1.039 0.361 349 HA ALA 53 HA ALA 53 -6.764 -0.755 -2.122 350 HB1 ALA 53 3HB ALA 53 -9.701 -1.230 -1.413 351 HB2 ALA 53 1HB ALA 53 -8.958 -1.482 -3.029 352 HB3 ALA 53 2HB ALA 53 -8.441 -2.491 -1.636 353 H GLU 54 H GLU 54 -9.316 1.239 -0.465 354 HA GLU 54 HA GLU 54 -9.730 3.001 -2.612 355 HB2 GLU 54 2HB GLU 54 -9.966 3.281 0.416 356 HB3 GLU 54 3HB GLU 54 -10.412 4.578 -0.700 357 HG2 GLU 54 2HG GLU 54 -12.127 3.154 -1.745 358 HG3 GLU 54 3HG GLU 54 -11.628 1.772 -0.761 359 H ILE 55 H ILE 55 -7.203 2.872 -0.024 360 HA ILE 55 HA ILE 55 -6.268 5.488 -0.467 361 HB ILE 55 HB ILE 55 -5.056 2.980 0.780 362 HG12 ILE 55 2HG1 ILE 55 -5.861 5.657 2.006 363 HG13 ILE 55 3HG1 ILE 55 -6.949 4.267 1.896 364 HG21 ILE 55 1HG2 ILE 55 -3.199 4.401 1.585 365 HG22 ILE 55 2HG2 ILE 55 -3.218 4.278 -0.207 366 HG23 ILE 55 3HG2 ILE 55 -3.820 5.766 0.598 367 HD11 ILE 55 3HD1 ILE 55 -4.277 4.327 3.371 368 HD12 ILE 55 1HD1 ILE 55 -5.910 4.403 4.116 369 HD13 ILE 55 2HD1 ILE 55 -5.383 2.915 3.259 370 H ILE 56 H ILE 56 -5.208 2.232 -1.740 371 HA ILE 56 HA ILE 56 -2.965 3.249 -3.080 372 HB ILE 56 HB ILE 56 -4.657 0.732 -3.456 373 HG12 ILE 56 2HG1 ILE 56 -1.836 1.105 -2.347 374 HG13 ILE 56 3HG1 ILE 56 -3.288 1.091 -1.337 375 HG21 ILE 56 1HG2 ILE 56 -2.821 -0.131 -4.867 376 HG22 ILE 56 2HG2 ILE 56 -3.614 1.303 -5.603 377 HG23 ILE 56 3HG2 ILE 56 -2.018 1.473 -4.798 378 HD11 ILE 56 3HD1 ILE 56 -2.344 -1.190 -3.132 379 HD12 ILE 56 1HD1 ILE 56 -2.195 -1.106 -1.344 380 HD13 ILE 56 2HD1 ILE 56 -3.818 -1.204 -2.106 381 H THR 57 H THR 57 -6.387 2.589 -4.173 382 HA THR 57 HA THR 57 -5.974 3.354 -6.827 383 HB THR 57 HB THR 57 -8.464 3.528 -5.053 384 HG1 THR 57 HG1 THR 57 -7.901 1.376 -5.258 385 HG21 THR 57 3HG2 THR 57 -8.182 3.629 -8.097 386 HG22 THR 57 1HG2 THR 57 -9.728 3.557 -7.185 387 HG23 THR 57 2HG2 THR 57 -8.660 4.993 -7.031 388 H ALA 58 H ALA 58 -6.769 5.262 -3.839 389 HA ALA 58 HA ALA 58 -7.319 7.680 -5.163 390 HB1 ALA 58 3HB ALA 58 -6.202 7.115 -2.375 391 HB2 ALA 58 1HB ALA 58 -6.890 8.677 -2.933 392 HB3 ALA 58 2HB ALA 58 -7.937 7.222 -2.826 393 H ALA 59 H ALA 59 -4.224 6.135 -4.120 394 HA ALA 59 HA ALA 59 -2.663 8.445 -4.771 395 HB1 ALA 59 3HB ALA 59 -1.940 5.492 -4.443 396 HB2 ALA 59 1HB ALA 59 -0.772 6.851 -4.552 397 HB3 ALA 59 2HB ALA 59 -1.900 6.747 -3.159 398 H GLY 60 H GLY 60 -4.312 6.025 -6.689 399 HA2 GLY 60 2HA GLY 60 -4.642 6.345 -8.931 400 HA3 GLY 60 3HA GLY 60 -3.242 7.423 -9.001 401 H TYR 61 H TYR 61 -2.732 4.344 -7.342 402 HA TYR 61 HA TYR 61 -1.347 3.373 -9.760 403 HB2 TYR 61 2HB TYR 61 -0.614 2.936 -6.824 404 HB3 TYR 61 3HB TYR 61 0.273 2.325 -8.228 405 HD1 TYR 61 HD1 TYR 61 1.034 4.214 -9.966 406 HD2 TYR 61 HD2 TYR 61 0.108 4.923 -5.835 407 HE1 TYR 61 HE1 TYR 61 2.384 6.288 -10.023 408 HE2 TYR 61 HE2 TYR 61 1.452 7.001 -5.886 409 HH TYR 61 HH TYR 61 3.292 7.977 -7.153 410 H THR 62 H THR 62 -3.471 2.288 -10.310 411 HA THR 62 HA THR 62 -3.712 -0.180 -8.741 412 HB THR 62 HB THR 62 -5.849 -0.515 -9.957 413 HG1 THR 62 HG1 THR 62 -6.632 1.280 -11.281 414 HG21 THR 62 3HG2 THR 62 -5.591 2.259 -8.696 415 HG22 THR 62 1HG2 THR 62 -7.121 1.349 -8.936 416 HG23 THR 62 2HG2 THR 62 -5.865 0.715 -7.819 417 HA PRO 63 HA PRO 63 -1.718 -2.356 -11.979 418 HB2 PRO 63 2HB PRO 63 -2.761 -4.904 -11.554 419 HB3 PRO 63 3HB PRO 63 -1.673 -4.167 -10.370 420 HG2 PRO 63 2HG PRO 63 -4.703 -4.307 -10.351 421 HG3 PRO 63 3HG PRO 63 -3.567 -4.614 -9.030 422 HD2 PRO 63 2HD PRO 63 -4.880 -2.228 -9.247 423 HD3 PRO 63 3HD PRO 63 -3.238 -2.313 -8.596 424 H GLU 64 H GLU 64 -1.932 -3.723 -13.940 425 HA GLU 64 HA GLU 64 -3.906 -2.665 -15.609 426 HB2 GLU 64 2HB GLU 64 -1.704 -3.590 -16.329 427 HB3 GLU 64 3HB GLU 64 -2.245 -5.216 -15.891 428 HG2 GLU 64 2HG GLU 64 -4.041 -5.097 -17.604 429 HG3 GLU 64 3HG GLU 64 -3.550 -3.451 -18.022 Start of MODEL 5 1 H ALA 1 1H ALA 1 3.682 -12.650 8.339 2 HA ALA 1 HA ALA 1 1.901 -12.943 6.811 3 HB1 ALA 1 3HB ALA 1 1.238 -13.583 9.728 4 HB2 ALA 1 1HB ALA 1 0.482 -14.348 8.290 5 HB3 ALA 1 2HB ALA 1 2.232 -14.586 8.618 6 H GLY 2 H GLY 2 1.256 -10.632 6.223 7 HA2 GLY 2 2HA GLY 2 -1.307 -10.013 7.573 8 HA3 GLY 2 3HA GLY 2 -0.160 -8.773 7.050 9 H LEU 3 H LEU 3 -1.231 -7.702 5.382 10 HA LEU 3 HA LEU 3 -2.391 -9.395 3.270 11 HB2 LEU 3 2HB LEU 3 -2.740 -6.422 3.893 12 HB3 LEU 3 3HB LEU 3 -3.545 -7.303 2.588 13 HG LEU 3 HG LEU 3 -3.920 -7.839 5.583 14 HD11 LEU 3 1HD1 LEU 3 -6.171 -6.901 5.211 15 HD12 LEU 3 2HD1 LEU 3 -4.887 -5.697 4.852 16 HD13 LEU 3 3HD1 LEU 3 -5.738 -6.531 3.508 17 HD21 LEU 3 3HD2 LEU 3 -4.152 -9.869 4.194 18 HD22 LEU 3 1HD2 LEU 3 -5.745 -9.328 4.821 19 HD23 LEU 3 2HD2 LEU 3 -5.295 -9.005 3.112 20 H SER 4 H SER 4 -1.764 -9.136 1.076 21 HA SER 4 HA SER 4 0.522 -7.315 0.647 22 HB2 SER 4 2HB SER 4 1.329 -9.628 0.818 23 HB3 SER 4 3HB SER 4 0.117 -10.172 -0.350 24 HG SER 4 HG SER 4 1.288 -9.427 -1.967 25 H PHE 5 H PHE 5 0.318 -5.959 -1.100 26 HA PHE 5 HA PHE 5 -1.798 -6.634 -3.042 27 HB2 PHE 5 2HB PHE 5 -1.120 -3.879 -1.901 28 HB3 PHE 5 3HB PHE 5 -2.313 -4.213 -3.162 29 HD1 PHE 5 HD1 PHE 5 -1.537 -4.539 0.439 30 HD2 PHE 5 HD2 PHE 5 -4.472 -5.194 -2.629 31 HE1 PHE 5 HE1 PHE 5 -3.271 -4.889 2.171 32 HE2 PHE 5 HE2 PHE 5 -6.206 -5.539 -0.895 33 HZ PHE 5 HZ PHE 5 -5.607 -5.389 1.507 34 H HIS 6 H HIS 6 -1.289 -6.270 -5.225 35 HA HIS 6 HA HIS 6 1.502 -5.420 -5.667 36 HB2 HIS 6 2HB HIS 6 -0.077 -7.580 -7.151 37 HB3 HIS 6 3HB HIS 6 1.595 -7.099 -7.471 38 HD2 HIS 6 HD2 HIS 6 -0.441 -9.250 -4.891 39 HE1 HIS 6 HE1 HIS 6 3.731 -9.700 -4.047 40 H VAL 7 H VAL 7 1.748 -3.718 -7.068 41 HA VAL 7 HA VAL 7 -0.577 -3.110 -8.762 42 HB VAL 7 HB VAL 7 1.488 -1.231 -7.507 43 HG11 VAL 7 1HG1 VAL 7 0.130 0.588 -8.490 44 HG12 VAL 7 2HG1 VAL 7 0.840 -0.474 -9.752 45 HG13 VAL 7 3HG1 VAL 7 -0.896 -0.632 -9.318 46 HG21 VAL 7 3HG2 VAL 7 -0.182 -2.061 -5.908 47 HG22 VAL 7 1HG2 VAL 7 -0.459 -0.325 -6.278 48 HG23 VAL 7 2HG2 VAL 7 -1.506 -1.580 -7.022 49 H GLU 8 H GLU 8 -0.214 -3.215 -10.966 50 HA GLU 8 HA GLU 8 2.392 -3.990 -11.848 51 HB2 GLU 8 2HB GLU 8 -0.232 -3.362 -13.277 52 HB3 GLU 8 3HB GLU 8 1.230 -3.897 -14.117 53 HG2 GLU 8 2HG GLU 8 -0.295 -5.467 -11.980 54 HG3 GLU 8 3HG GLU 8 -0.319 -5.777 -13.722 55 H ASP 9 H ASP 9 0.442 -0.949 -11.918 56 HA ASP 9 HA ASP 9 2.489 0.246 -13.658 57 HB2 ASP 9 2HB ASP 9 -0.327 1.153 -12.889 58 HB3 ASP 9 3HB ASP 9 0.774 2.046 -13.946 59 H MET 10 H MET 10 3.044 -0.287 -10.787 60 HA MET 10 HA MET 10 2.550 2.130 -9.337 61 HB2 MET 10 2HB MET 10 2.763 -0.083 -8.261 62 HB3 MET 10 3HB MET 10 4.419 -0.239 -8.861 63 HG2 MET 10 2HG MET 10 5.227 1.488 -7.423 64 HG3 MET 10 3HG MET 10 3.598 2.078 -7.070 65 HE1 MET 10 3HE MET 10 4.205 1.817 -4.142 66 HE2 MET 10 1HE MET 10 5.366 0.489 -3.804 67 HE3 MET 10 2HE MET 10 5.735 1.703 -5.076 68 H THR 11 H THR 11 3.501 4.029 -10.061 69 HA THR 11 HA THR 11 6.131 4.112 -11.085 70 HB THR 11 HB THR 11 4.397 6.284 -9.793 71 HG1 THR 11 HG1 THR 11 4.009 6.822 -12.063 72 HG21 THR 11 3HG2 THR 11 6.898 6.499 -11.540 73 HG22 THR 11 1HG2 THR 11 5.878 7.871 -10.988 74 HG23 THR 11 2HG2 THR 11 6.789 6.890 -9.790 75 H CYS 12 H CYS 12 8.134 4.502 -10.036 76 HA CYS 12 HA CYS 12 8.109 3.643 -7.205 77 HB2 CYS 12 2HB CYS 12 10.192 4.178 -9.433 78 HB3 CYS 12 3HB CYS 12 10.541 3.366 -7.901 79 HG CYS 12 HG CYS 12 9.308 1.009 -8.500 80 H GLY 13 H GLY 13 8.504 4.923 -5.491 81 HA2 GLY 13 2HA GLY 13 9.551 6.620 -4.361 82 HA3 GLY 13 3HA GLY 13 10.098 7.322 -5.889 83 H HIS 14 H HIS 14 6.820 6.634 -6.373 84 HA HIS 14 HA HIS 14 6.024 9.279 -5.354 85 HB2 HIS 14 2HB HIS 14 5.577 8.164 -8.168 86 HB3 HIS 14 3HB HIS 14 4.820 9.629 -7.529 87 HD2 HIS 14 HD2 HIS 14 8.031 8.586 -9.340 88 HE1 HIS 14 HE1 HIS 14 8.720 12.518 -7.797 89 H CYS 15 H CYS 15 5.547 6.160 -4.798 90 HA CYS 15 HA CYS 15 2.600 6.362 -4.518 91 HB2 CYS 15 2HB CYS 15 3.290 5.406 -6.807 92 HB3 CYS 15 3HB CYS 15 4.316 4.232 -5.972 93 HG CYS 15 HG CYS 15 0.946 4.202 -6.343 94 H ALA 16 H ALA 16 5.711 4.592 -3.909 95 HA ALA 16 HA ALA 16 4.642 2.845 -2.003 96 HB1 ALA 16 3HB ALA 16 7.445 4.040 -2.279 97 HB2 ALA 16 1HB ALA 16 7.010 2.606 -1.289 98 HB3 ALA 16 2HB ALA 16 6.840 2.549 -3.076 99 H GLY 17 H GLY 17 6.150 6.155 -1.611 100 HA2 GLY 17 2HA GLY 17 5.936 6.184 1.198 101 HA3 GLY 17 3HA GLY 17 6.087 7.578 0.120 102 H VAL 18 H VAL 18 3.620 7.125 -1.444 103 HA VAL 18 HA VAL 18 1.901 8.540 0.268 104 HB VAL 18 HB VAL 18 1.460 7.176 -2.434 105 HG11 VAL 18 1HG1 VAL 18 -0.599 8.542 -2.606 106 HG12 VAL 18 2HG1 VAL 18 -0.685 7.371 -1.247 107 HG13 VAL 18 3HG1 VAL 18 -0.360 9.106 -0.918 108 HG21 VAL 18 3HG2 VAL 18 3.080 9.027 -2.452 109 HG22 VAL 18 1HG2 VAL 18 1.567 9.495 -3.299 110 HG23 VAL 18 2HG2 VAL 18 1.888 10.095 -1.638 111 H ILE 19 H ILE 19 1.791 5.118 -1.027 112 HA ILE 19 HA ILE 19 -0.672 4.550 0.207 113 HB ILE 19 HB ILE 19 1.586 2.793 -0.869 114 HG12 ILE 19 2HG1 ILE 19 -1.216 3.354 -1.943 115 HG13 ILE 19 3HG1 ILE 19 0.227 4.246 -2.443 116 HG21 ILE 19 1HG2 ILE 19 -0.004 0.904 -0.733 117 HG22 ILE 19 2HG2 ILE 19 0.395 1.560 0.891 118 HG23 ILE 19 3HG2 ILE 19 -1.179 1.959 0.123 119 HD11 ILE 19 3HD1 ILE 19 -0.213 1.243 -2.767 120 HD12 ILE 19 1HD1 ILE 19 -0.328 2.484 -4.059 121 HD13 ILE 19 2HD1 ILE 19 1.252 2.148 -3.274 122 H LYS 20 H LYS 20 2.790 3.968 1.187 123 HA LYS 20 HA LYS 20 2.215 2.355 3.395 124 HB2 LYS 20 2HB LYS 20 4.446 2.609 2.342 125 HB3 LYS 20 3HB LYS 20 4.524 4.291 2.883 126 HG2 LYS 20 2HG LYS 20 4.545 3.579 5.241 127 HG3 LYS 20 3HG LYS 20 4.321 1.890 4.767 128 HD2 LYS 20 2HD LYS 20 6.677 2.189 5.206 129 HD3 LYS 20 3HD LYS 20 6.496 2.033 3.454 130 HE2 LYS 20 2HE LYS 20 6.613 4.487 3.182 131 HE3 LYS 20 3HE LYS 20 6.664 4.709 4.935 132 HZ1 LYS 20 3HZ LYS 20 8.709 3.304 3.338 133 HZ2 LYS 20 1HZ LYS 20 8.851 4.804 3.968 134 HZ3 LYS 20 2HZ LYS 20 8.757 3.508 4.958 135 H GLY 21 H GLY 21 2.790 5.977 3.218 136 HA2 GLY 21 2HA GLY 21 2.436 6.383 5.978 137 HA3 GLY 21 3HA GLY 21 2.315 7.593 4.694 138 H ALA 22 H ALA 22 0.088 6.412 3.194 139 HA ALA 22 HA ALA 22 -2.007 7.596 4.646 140 HB1 ALA 22 3HB ALA 22 -2.032 5.713 2.236 141 HB2 ALA 22 1HB ALA 22 -3.413 6.715 2.798 142 HB3 ALA 22 2HB ALA 22 -1.920 7.505 2.187 143 H ILE 23 H ILE 23 -1.072 4.118 4.129 144 HA ILE 23 HA ILE 23 -3.335 3.135 5.516 145 HB ILE 23 HB ILE 23 -0.609 1.917 4.851 146 HG12 ILE 23 2HG1 ILE 23 -3.371 1.388 3.663 147 HG13 ILE 23 3HG1 ILE 23 -2.214 2.538 2.979 148 HG21 ILE 23 1HG2 ILE 23 -1.625 -0.265 5.419 149 HG22 ILE 23 2HG2 ILE 23 -1.538 0.823 6.845 150 HG23 ILE 23 3HG2 ILE 23 -3.102 0.577 5.997 151 HD11 ILE 23 3HD1 ILE 23 -1.746 -0.455 3.349 152 HD12 ILE 23 1HD1 ILE 23 -2.120 0.385 1.806 153 HD13 ILE 23 2HD1 ILE 23 -0.571 0.713 2.654 154 H GLU 24 H GLU 24 0.082 3.941 6.476 155 HA GLU 24 HA GLU 24 0.051 2.789 8.996 156 HB2 GLU 24 2HB GLU 24 2.054 3.702 7.868 157 HB3 GLU 24 3HB GLU 24 1.408 5.343 8.004 158 HG2 GLU 24 2HG GLU 24 1.507 5.182 10.489 159 HG3 GLU 24 3HG GLU 24 2.141 3.536 10.361 160 H LYS 25 H LYS 25 -1.239 5.993 7.892 161 HA LYS 25 HA LYS 25 -1.668 7.017 10.481 162 HB2 LYS 25 2HB LYS 25 -2.873 7.587 7.741 163 HB3 LYS 25 3HB LYS 25 -3.369 8.471 9.190 164 HG2 LYS 25 2HG LYS 25 -0.992 9.196 9.537 165 HG3 LYS 25 3HG LYS 25 -0.532 8.351 8.054 166 HD2 LYS 25 2HD LYS 25 -2.147 9.771 6.756 167 HD3 LYS 25 3HD LYS 25 -2.574 10.629 8.243 168 HE2 LYS 25 2HE LYS 25 -0.204 11.368 8.509 169 HE3 LYS 25 3HE LYS 25 0.240 10.492 7.038 170 HZ1 LYS 25 3HZ LYS 25 -1.679 12.730 7.171 171 HZ2 LYS 25 1HZ LYS 25 -0.151 12.813 6.601 172 HZ3 LYS 25 2HZ LYS 25 -1.269 11.922 5.813 173 H THR 26 H THR 26 -3.573 4.800 8.381 174 HA THR 26 HA THR 26 -5.860 5.096 10.157 175 HB THR 26 HB THR 26 -7.022 3.651 8.516 176 HG1 THR 26 HG1 THR 26 -4.378 3.169 7.742 177 HG21 THR 26 3HG2 THR 26 -5.409 5.899 7.211 178 HG22 THR 26 1HG2 THR 26 -6.926 5.183 6.570 179 HG23 THR 26 2HG2 THR 26 -6.946 6.087 8.121 180 H VAL 27 H VAL 27 -3.041 3.063 9.727 181 HA VAL 27 HA VAL 27 -4.317 1.060 11.457 182 HB VAL 27 HB VAL 27 -2.169 0.572 9.329 183 HG11 VAL 27 1HG1 VAL 27 -2.570 -1.818 9.832 184 HG12 VAL 27 2HG1 VAL 27 -1.978 -0.921 11.272 185 HG13 VAL 27 3HG1 VAL 27 -3.717 -1.347 11.131 186 HG21 VAL 27 3HG2 VAL 27 -4.349 1.062 8.305 187 HG22 VAL 27 1HG2 VAL 27 -3.934 -0.676 8.124 188 HG23 VAL 27 2HG2 VAL 27 -5.133 -0.163 9.359 189 HA PRO 28 HA PRO 28 -0.681 2.823 13.675 190 HB2 PRO 28 2HB PRO 28 -1.884 2.792 16.171 191 HB3 PRO 28 3HB PRO 28 -2.198 4.110 15.034 192 HG2 PRO 28 2HG PRO 28 -3.871 1.636 15.596 193 HG3 PRO 28 3HG PRO 28 -4.396 3.318 15.440 194 HD2 PRO 28 2HD PRO 28 -4.645 1.567 13.365 195 HD3 PRO 28 3HD PRO 28 -4.292 3.276 13.078 196 H GLY 29 H GLY 29 0.965 1.825 14.759 197 HA2 GLY 29 2HA GLY 29 1.928 0.221 16.069 198 HA3 GLY 29 3HA GLY 29 0.386 -0.639 16.176 199 H ALA 30 H ALA 30 -0.387 -1.594 13.877 200 HA ALA 30 HA ALA 30 1.445 -3.488 13.048 201 HB1 ALA 30 3HB ALA 30 -0.897 -2.236 11.533 202 HB2 ALA 30 1HB ALA 30 -0.085 -3.783 11.116 203 HB3 ALA 30 2HB ALA 30 -0.981 -3.629 12.664 204 H ALA 31 H ALA 31 2.909 -3.693 11.298 205 HA ALA 31 HA ALA 31 3.980 -1.086 10.528 206 HB1 ALA 31 3HB ALA 31 5.110 -3.923 10.364 207 HB2 ALA 31 1HB ALA 31 5.989 -2.418 9.932 208 HB3 ALA 31 2HB ALA 31 5.475 -2.702 11.629 209 H VAL 32 H VAL 32 3.854 -0.267 8.474 210 HA VAL 32 HA VAL 32 2.946 -2.142 6.402 211 HB VAL 32 HB VAL 32 2.723 0.912 6.541 212 HG11 VAL 32 1HG1 VAL 32 1.297 0.677 4.538 213 HG12 VAL 32 2HG1 VAL 32 2.972 0.100 4.240 214 HG13 VAL 32 3HG1 VAL 32 1.647 -1.084 4.500 215 HG21 VAL 32 3HG2 VAL 32 1.242 -0.205 8.148 216 HG22 VAL 32 1HG2 VAL 32 0.299 0.500 6.792 217 HG23 VAL 32 2HG2 VAL 32 0.609 -1.269 6.847 218 H HIS 33 H HIS 33 4.367 -2.611 4.740 219 HA HIS 33 HA HIS 33 6.624 -0.746 4.375 220 HB2 HIS 33 2HB HIS 33 6.666 -3.804 4.262 221 HB3 HIS 33 3HB HIS 33 8.025 -2.741 3.872 222 HD2 HIS 33 HD2 HIS 33 6.277 -4.293 6.986 223 HE1 HIS 33 HE1 HIS 33 9.425 -1.748 8.380 224 H ALA 34 H ALA 34 6.434 0.195 2.374 225 HA ALA 34 HA ALA 34 5.359 -1.495 0.211 226 HB1 ALA 34 3HB ALA 34 5.605 1.543 0.479 227 HB2 ALA 34 1HB ALA 34 4.948 0.666 -0.944 228 HB3 ALA 34 2HB ALA 34 4.098 0.579 0.635 229 H ASP 35 H ASP 35 6.678 -2.095 -1.475 230 HA ASP 35 HA ASP 35 9.257 -0.672 -1.681 231 HB2 ASP 35 2HB ASP 35 9.497 -2.969 -0.747 232 HB3 ASP 35 3HB ASP 35 8.652 -3.631 -2.152 233 HA PRO 36 HA PRO 36 7.459 0.016 -5.754 234 HB2 PRO 36 2HB PRO 36 9.280 1.993 -6.462 235 HB3 PRO 36 3HB PRO 36 7.958 2.353 -5.344 236 HG2 PRO 36 2HG PRO 36 10.853 1.691 -4.728 237 HG3 PRO 36 3HG PRO 36 9.830 2.956 -4.035 238 HD2 PRO 36 2HD PRO 36 10.279 0.596 -2.727 239 HD3 PRO 36 3HD PRO 36 8.748 1.467 -2.565 240 H ALA 37 H ALA 37 10.742 -0.988 -4.898 241 HA ALA 37 HA ALA 37 11.568 -1.541 -7.548 242 HB1 ALA 37 3HB ALA 37 12.310 -2.821 -4.871 243 HB2 ALA 37 1HB ALA 37 13.202 -3.030 -6.416 244 HB3 ALA 37 2HB ALA 37 13.119 -1.413 -5.639 245 H SER 38 H SER 38 9.645 -3.408 -5.104 246 HA SER 38 HA SER 38 9.326 -5.534 -7.104 247 HB2 SER 38 2HB SER 38 8.475 -5.301 -4.180 248 HB3 SER 38 3HB SER 38 8.200 -6.710 -5.213 249 HG SER 38 HG SER 38 10.095 -6.929 -3.901 250 H ARG 39 H ARG 39 7.918 -2.548 -6.381 251 HA ARG 39 HA ARG 39 5.935 -1.632 -6.708 252 HB2 ARG 39 2HB ARG 39 5.581 -3.917 -8.664 253 HB3 ARG 39 3HB ARG 39 4.542 -2.490 -8.557 254 HG2 ARG 39 2HG ARG 39 6.557 -1.052 -9.027 255 HG3 ARG 39 3HG ARG 39 7.510 -2.524 -9.255 256 HD2 ARG 39 2HD ARG 39 5.839 -3.189 -11.033 257 HD3 ARG 39 3HD ARG 39 5.164 -1.561 -10.891 258 HE ARG 39 HE ARG 39 7.949 -1.325 -11.326 259 HH11 ARG 39 1HH1 ARG 39 5.098 -2.447 -13.047 260 HH12 ARG 39 2HH1 ARG 39 5.729 -2.021 -14.603 261 HH21 ARG 39 1HH2 ARG 39 8.749 -0.796 -13.326 262 HH22 ARG 39 2HH2 ARG 39 7.826 -1.074 -14.765 263 H THR 40 H THR 40 6.074 -3.312 -4.377 264 HA THR 40 HA THR 40 3.334 -4.331 -4.311 265 HB THR 40 HB THR 40 5.828 -5.838 -3.361 266 HG1 THR 40 HG1 THR 40 3.912 -6.994 -5.108 267 HG21 THR 40 3HG2 THR 40 2.861 -6.553 -3.153 268 HG22 THR 40 1HG2 THR 40 4.234 -7.619 -2.703 269 HG23 THR 40 2HG2 THR 40 3.940 -6.099 -1.791 270 H VAL 41 H VAL 41 2.272 -3.964 -2.325 271 HA VAL 41 HA VAL 41 3.977 -2.858 -0.199 272 HB VAL 41 HB VAL 41 2.518 -1.121 -1.114 273 HG11 VAL 41 1HG1 VAL 41 0.053 -1.350 -1.064 274 HG12 VAL 41 2HG1 VAL 41 0.816 -2.567 -2.142 275 HG13 VAL 41 3HG1 VAL 41 0.227 -3.051 -0.516 276 HG21 VAL 41 3HG2 VAL 41 2.894 -1.124 1.314 277 HG22 VAL 41 1HG2 VAL 41 1.249 -0.519 0.924 278 HG23 VAL 41 2HG2 VAL 41 1.467 -2.189 1.547 279 H VAL 42 H VAL 42 3.862 -3.866 1.813 280 HA VAL 42 HA VAL 42 1.740 -5.883 2.092 281 HB VAL 42 HB VAL 42 4.614 -5.912 3.151 282 HG11 VAL 42 1HG1 VAL 42 4.057 -8.166 4.010 283 HG12 VAL 42 2HG1 VAL 42 3.050 -6.891 4.775 284 HG13 VAL 42 3HG1 VAL 42 2.353 -7.937 3.492 285 HG21 VAL 42 3HG2 VAL 42 4.452 -6.428 0.754 286 HG22 VAL 42 1HG2 VAL 42 4.864 -7.900 1.698 287 HG23 VAL 42 2HG2 VAL 42 3.190 -7.661 1.092 288 H VAL 43 H VAL 43 0.455 -5.752 3.937 289 HA VAL 43 HA VAL 43 1.335 -3.801 5.951 290 HB VAL 43 HB VAL 43 -1.490 -4.699 5.183 291 HG11 VAL 43 1HG1 VAL 43 -2.240 -2.939 6.754 292 HG12 VAL 43 2HG1 VAL 43 -1.298 -4.222 7.586 293 HG13 VAL 43 3HG1 VAL 43 -0.533 -2.638 7.224 294 HG21 VAL 43 3HG2 VAL 43 -0.465 -3.224 3.504 295 HG22 VAL 43 1HG2 VAL 43 -1.761 -2.365 4.404 296 HG23 VAL 43 2HG2 VAL 43 -0.036 -2.042 4.786 297 H GLY 44 H GLY 44 1.955 -4.715 7.896 298 HA2 GLY 44 2HA GLY 44 1.550 -7.520 8.300 299 HA3 GLY 44 3HA GLY 44 2.375 -6.374 9.365 300 H GLY 45 H GLY 45 0.413 -8.553 10.082 301 HA2 GLY 45 2HA GLY 45 -0.975 -8.642 11.884 302 HA3 GLY 45 3HA GLY 45 -1.142 -6.882 11.859 303 H VAL 46 H VAL 46 -3.055 -6.003 11.078 304 HA VAL 46 HA VAL 46 -4.531 -7.485 9.085 305 HB VAL 46 HB VAL 46 -5.361 -8.438 11.231 306 HG11 VAL 46 1HG1 VAL 46 -6.610 -6.997 12.811 307 HG12 VAL 46 2HG1 VAL 46 -4.882 -6.523 12.697 308 HG13 VAL 46 3HG1 VAL 46 -6.138 -5.550 11.858 309 HG21 VAL 46 3HG2 VAL 46 -6.892 -8.228 9.321 310 HG22 VAL 46 1HG2 VAL 46 -7.766 -7.978 10.869 311 HG23 VAL 46 2HG2 VAL 46 -7.337 -6.569 9.843 312 H SER 47 H SER 47 -5.905 -6.113 7.832 313 HA SER 47 HA SER 47 -6.474 -3.443 8.782 314 HB2 SER 47 2HB SER 47 -4.193 -3.150 7.931 315 HB3 SER 47 3HB SER 47 -4.619 -3.954 6.414 316 HG SER 47 HG SER 47 -5.919 -1.571 7.388 317 H ASP 48 H ASP 48 -8.258 -2.518 7.684 318 HA ASP 48 HA ASP 48 -9.880 -4.228 6.139 319 HB2 ASP 48 2HB ASP 48 -10.668 -2.303 7.533 320 HB3 ASP 48 3HB ASP 48 -9.893 -1.183 6.405 321 H ALA 49 H ALA 49 -9.393 -4.946 4.099 322 HA ALA 49 HA ALA 49 -7.431 -3.705 2.508 323 HB1 ALA 49 3HB ALA 49 -9.628 -5.713 1.807 324 HB2 ALA 49 1HB ALA 49 -8.201 -5.323 0.789 325 HB3 ALA 49 2HB ALA 49 -7.975 -6.103 2.391 326 H ALA 50 H ALA 50 -10.939 -3.171 2.824 327 HA ALA 50 HA ALA 50 -11.415 -2.116 0.271 328 HB1 ALA 50 3HB ALA 50 -12.695 -1.482 2.975 329 HB2 ALA 50 1HB ALA 50 -13.377 -1.064 1.367 330 HB3 ALA 50 2HB ALA 50 -13.188 -2.786 1.842 331 H HIS 51 H HIS 51 -10.248 -0.538 3.338 332 HA HIS 51 HA HIS 51 -10.294 2.070 2.196 333 HB2 HIS 51 2HB HIS 51 -8.985 0.821 4.651 334 HB3 HIS 51 3HB HIS 51 -8.746 2.520 4.222 335 HD2 HIS 51 HD2 HIS 51 -10.967 0.646 6.510 336 HE1 HIS 51 HE1 HIS 51 -13.410 3.871 5.114 337 H ILE 52 H ILE 52 -7.815 -0.556 2.474 338 HA ILE 52 HA ILE 52 -5.651 0.999 1.632 339 HB ILE 52 HB ILE 52 -6.274 -1.986 1.411 340 HG12 ILE 52 2HG1 ILE 52 -4.325 -0.465 3.203 341 HG13 ILE 52 3HG1 ILE 52 -5.971 -0.897 3.685 342 HG21 ILE 52 1HG2 ILE 52 -3.877 -2.309 0.896 343 HG22 ILE 52 2HG2 ILE 52 -4.714 -1.368 -0.384 344 HG23 ILE 52 3HG2 ILE 52 -3.661 -0.528 0.803 345 HD11 ILE 52 3HD1 ILE 52 -3.771 -2.860 2.894 346 HD12 ILE 52 1HD1 ILE 52 -4.341 -2.509 4.561 347 HD13 ILE 52 2HD1 ILE 52 -5.443 -3.299 3.384 348 H ALA 53 H ALA 53 -8.167 -0.873 -0.208 349 HA ALA 53 HA ALA 53 -6.964 -0.537 -2.736 350 HB1 ALA 53 3HB ALA 53 -9.885 -0.905 -1.912 351 HB2 ALA 53 1HB ALA 53 -9.231 -1.106 -3.572 352 HB3 ALA 53 2HB ALA 53 -8.704 -2.213 -2.260 353 H GLU 54 H GLU 54 -9.267 1.512 -0.819 354 HA GLU 54 HA GLU 54 -9.710 3.393 -2.873 355 HB2 GLU 54 2HB GLU 54 -9.810 3.515 0.172 356 HB3 GLU 54 3HB GLU 54 -10.222 4.899 -0.848 357 HG2 GLU 54 2HG GLU 54 -12.057 3.641 -1.897 358 HG3 GLU 54 3HG GLU 54 -11.600 2.175 -1.020 359 H ILE 55 H ILE 55 -7.111 3.043 -0.370 360 HA ILE 55 HA ILE 55 -5.967 5.561 -0.823 361 HB ILE 55 HB ILE 55 -4.873 2.913 0.228 362 HG12 ILE 55 2HG1 ILE 55 -5.385 5.560 1.655 363 HG13 ILE 55 3HG1 ILE 55 -6.604 4.286 1.521 364 HG21 ILE 55 1HG2 ILE 55 -2.877 4.170 0.975 365 HG22 ILE 55 2HG2 ILE 55 -3.019 4.143 -0.815 366 HG23 ILE 55 3HG2 ILE 55 -3.468 5.622 0.098 367 HD11 ILE 55 3HD1 ILE 55 -3.866 4.000 2.836 368 HD12 ILE 55 1HD1 ILE 55 -5.442 4.173 3.679 369 HD13 ILE 55 2HD1 ILE 55 -5.104 2.706 2.699 370 H ILE 56 H ILE 56 -5.320 2.280 -2.288 371 HA ILE 56 HA ILE 56 -3.128 3.103 -3.806 372 HB ILE 56 HB ILE 56 -5.180 0.866 -4.170 373 HG12 ILE 56 2HG1 ILE 56 -2.246 0.762 -3.335 374 HG13 ILE 56 3HG1 ILE 56 -3.579 0.889 -2.179 375 HG21 ILE 56 1HG2 ILE 56 -3.615 -0.121 -5.808 376 HG22 ILE 56 2HG2 ILE 56 -4.262 1.458 -6.368 377 HG23 ILE 56 3HG2 ILE 56 -2.593 1.353 -5.714 378 HD11 ILE 56 3HD1 ILE 56 -3.168 -1.376 -4.183 379 HD12 ILE 56 1HD1 ILE 56 -2.836 -1.437 -2.419 380 HD13 ILE 56 2HD1 ILE 56 -4.522 -1.246 -3.010 381 H THR 57 H THR 57 -6.692 2.967 -4.589 382 HA THR 57 HA THR 57 -6.390 3.824 -7.238 383 HB THR 57 HB THR 57 -8.719 4.132 -5.273 384 HG1 THR 57 HG1 THR 57 -8.364 1.949 -5.646 385 HG21 THR 57 3HG2 THR 57 -8.643 4.398 -8.318 386 HG22 THR 57 1HG2 THR 57 -10.120 4.419 -7.297 387 HG23 THR 57 2HG2 THR 57 -8.903 5.731 -7.144 388 H ALA 58 H ALA 58 -6.723 5.615 -4.101 389 HA ALA 58 HA ALA 58 -7.273 8.121 -5.253 390 HB1 ALA 58 3HB ALA 58 -5.949 7.361 -2.604 391 HB2 ALA 58 1HB ALA 58 -6.602 8.980 -3.023 392 HB3 ALA 58 2HB ALA 58 -7.709 7.572 -2.894 393 H ALA 59 H ALA 59 -4.189 6.365 -4.606 394 HA ALA 59 HA ALA 59 -2.573 8.655 -5.215 395 HB1 ALA 59 3HB ALA 59 -1.959 5.662 -5.100 396 HB2 ALA 59 1HB ALA 59 -0.743 6.978 -5.218 397 HB3 ALA 59 2HB ALA 59 -1.777 6.839 -3.756 398 H GLY 60 H GLY 60 -4.415 6.360 -7.130 399 HA2 GLY 60 2HA GLY 60 -4.842 6.676 -9.351 400 HA3 GLY 60 3HA GLY 60 -3.470 7.786 -9.472 401 H TYR 61 H TYR 61 -2.719 4.758 -7.857 402 HA TYR 61 HA TYR 61 -1.532 3.784 -10.378 403 HB2 TYR 61 2HB TYR 61 -0.408 3.573 -7.541 404 HB3 TYR 61 3HB TYR 61 0.340 2.934 -9.010 405 HD1 TYR 61 HD1 TYR 61 0.876 4.688 -10.899 406 HD2 TYR 61 HD2 TYR 61 0.145 5.730 -6.798 407 HE1 TYR 61 HE1 TYR 61 2.048 6.841 -11.239 408 HE2 TYR 61 HE2 TYR 61 1.319 7.884 -7.131 409 HH TYR 61 HH TYR 61 2.405 9.197 -8.537 410 H THR 62 H THR 62 -3.599 2.519 -10.614 411 HA THR 62 HA THR 62 -3.700 0.264 -8.759 412 HB THR 62 HB THR 62 -5.826 -0.298 -9.940 413 HG1 THR 62 HG1 THR 62 -6.652 1.312 -11.461 414 HG21 THR 62 3HG2 THR 62 -5.638 2.609 -9.009 415 HG22 THR 62 1HG2 THR 62 -7.145 1.641 -9.138 416 HG23 THR 62 2HG2 THR 62 -5.875 1.172 -7.958 417 HA PRO 63 HA PRO 63 -1.766 -2.382 -11.746 418 HB2 PRO 63 2HB PRO 63 -2.800 -4.827 -10.918 419 HB3 PRO 63 3HB PRO 63 -1.641 -3.956 -9.906 420 HG2 PRO 63 2HG PRO 63 -4.664 -4.050 -9.697 421 HG3 PRO 63 3HG PRO 63 -3.457 -4.187 -8.413 422 HD2 PRO 63 2HD PRO 63 -4.773 -1.838 -8.896 423 HD3 PRO 63 3HD PRO 63 -3.107 -1.858 -8.304 424 H GLU 64 H GLU 64 -2.105 -3.906 -13.530 425 HA GLU 64 HA GLU 64 -4.213 -3.053 -15.148 426 HB2 GLU 64 2HB GLU 64 -2.049 -4.015 -15.931 427 HB3 GLU 64 3HB GLU 64 -2.521 -5.595 -15.292 428 HG2 GLU 64 2HG GLU 64 -4.433 -5.683 -16.871 429 HG3 GLU 64 3HG GLU 64 -4.015 -4.079 -17.488 Start of MODEL 6 1 H ALA 1 1H ALA 1 3.503 -12.448 7.945 2 HA ALA 1 HA ALA 1 1.665 -12.810 6.500 3 HB1 ALA 1 3HB ALA 1 1.117 -13.328 9.464 4 HB2 ALA 1 1HB ALA 1 0.310 -14.154 8.089 5 HB3 ALA 1 2HB ALA 1 2.072 -14.373 8.360 6 H GLY 2 H GLY 2 1.069 -10.431 5.932 7 HA2 GLY 2 2HA GLY 2 -1.498 -9.829 7.280 8 HA3 GLY 2 3HA GLY 2 -0.344 -8.583 6.787 9 H LEU 3 H LEU 3 -1.391 -7.477 5.128 10 HA LEU 3 HA LEU 3 -2.625 -9.112 3.015 11 HB2 LEU 3 2HB LEU 3 -2.827 -6.134 3.675 12 HB3 LEU 3 3HB LEU 3 -3.659 -6.943 2.341 13 HG LEU 3 HG LEU 3 -4.088 -7.564 5.311 14 HD11 LEU 3 1HD1 LEU 3 -6.268 -6.455 4.983 15 HD12 LEU 3 2HD1 LEU 3 -4.903 -5.327 4.685 16 HD13 LEU 3 3HD1 LEU 3 -5.803 -6.033 3.300 17 HD21 LEU 3 3HD2 LEU 3 -4.452 -9.504 3.828 18 HD22 LEU 3 1HD2 LEU 3 -6.008 -8.884 4.477 19 HD23 LEU 3 2HD2 LEU 3 -5.529 -8.513 2.786 20 H SER 4 H SER 4 -1.998 -8.906 0.822 21 HA SER 4 HA SER 4 0.396 -7.235 0.370 22 HB2 SER 4 2HB SER 4 1.055 -9.591 0.593 23 HB3 SER 4 3HB SER 4 -0.175 -10.077 -0.581 24 HG SER 4 HG SER 4 1.929 -9.885 -1.528 25 H PHE 5 H PHE 5 0.237 -5.864 -1.366 26 HA PHE 5 HA PHE 5 -1.756 -6.573 -3.423 27 HB2 PHE 5 2HB PHE 5 -1.089 -3.805 -2.303 28 HB3 PHE 5 3HB PHE 5 -2.140 -4.116 -3.691 29 HD1 PHE 5 HD1 PHE 5 -1.808 -4.371 -0.022 30 HD2 PHE 5 HD2 PHE 5 -4.381 -5.029 -3.398 31 HE1 PHE 5 HE1 PHE 5 -3.744 -4.618 1.501 32 HE2 PHE 5 HE2 PHE 5 -6.318 -5.269 -1.876 33 HZ PHE 5 HZ PHE 5 -6.002 -5.067 0.577 34 H HIS 6 H HIS 6 -1.100 -6.294 -5.582 35 HA HIS 6 HA HIS 6 1.688 -5.393 -5.908 36 HB2 HIS 6 2HB HIS 6 1.548 -7.881 -5.891 37 HB3 HIS 6 3HB HIS 6 0.335 -7.827 -7.176 38 HD2 HIS 6 HD2 HIS 6 1.410 -7.971 -9.693 39 HE1 HIS 6 HE1 HIS 6 5.416 -6.852 -8.678 40 H VAL 7 H VAL 7 1.914 -3.817 -7.457 41 HA VAL 7 HA VAL 7 -0.270 -3.603 -9.412 42 HB VAL 7 HB VAL 7 1.134 -1.331 -7.914 43 HG11 VAL 7 1HG1 VAL 7 -0.451 0.143 -9.117 44 HG12 VAL 7 2HG1 VAL 7 0.637 -0.732 -10.247 45 HG13 VAL 7 3HG1 VAL 7 -1.063 -1.273 -10.036 46 HG21 VAL 7 3HG2 VAL 7 -0.511 -2.512 -6.523 47 HG22 VAL 7 1HG2 VAL 7 -1.110 -0.881 -6.974 48 HG23 VAL 7 2HG2 VAL 7 -1.748 -2.335 -7.813 49 H GLU 8 H GLU 8 0.530 -3.805 -11.480 50 HA GLU 8 HA GLU 8 3.368 -3.783 -11.870 51 HB2 GLU 8 2HB GLU 8 0.968 -4.129 -13.723 52 HB3 GLU 8 3HB GLU 8 2.644 -4.204 -14.283 53 HG2 GLU 8 2HG GLU 8 1.462 -6.031 -12.134 54 HG3 GLU 8 3HG GLU 8 1.584 -6.450 -13.848 55 H ASP 9 H ASP 9 0.654 -1.496 -12.450 56 HA ASP 9 HA ASP 9 2.269 0.021 -14.334 57 HB2 ASP 9 2HB ASP 9 -0.571 0.374 -13.262 58 HB3 ASP 9 3HB ASP 9 0.182 1.419 -14.473 59 H MET 10 H MET 10 2.425 -0.229 -11.060 60 HA MET 10 HA MET 10 2.037 2.473 -10.239 61 HB2 MET 10 2HB MET 10 1.885 0.515 -8.725 62 HB3 MET 10 3HB MET 10 3.592 0.148 -9.008 63 HG2 MET 10 2HG MET 10 4.237 2.318 -7.979 64 HG3 MET 10 3HG MET 10 2.532 2.706 -7.713 65 HE1 MET 10 3HE MET 10 1.027 0.409 -6.680 66 HE2 MET 10 1HE MET 10 1.409 0.261 -4.931 67 HE3 MET 10 2HE MET 10 1.138 1.881 -5.657 68 H THR 11 H THR 11 3.324 4.194 -10.817 69 HA THR 11 HA THR 11 5.990 3.972 -11.617 70 HB THR 11 HB THR 11 4.532 6.285 -10.235 71 HG1 THR 11 HG1 THR 11 4.293 7.012 -12.470 72 HG21 THR 11 3HG2 THR 11 7.088 6.235 -11.914 73 HG22 THR 11 1HG2 THR 11 6.264 7.706 -11.296 74 HG23 THR 11 2HG2 THR 11 6.987 6.532 -10.146 75 H CYS 12 H CYS 12 7.986 4.115 -10.452 76 HA CYS 12 HA CYS 12 7.678 3.178 -7.629 77 HB2 CYS 12 2HB CYS 12 9.804 3.015 -9.873 78 HB3 CYS 12 3HB CYS 12 9.915 2.183 -8.316 79 HG CYS 12 HG CYS 12 8.338 0.134 -8.918 80 H GLY 13 H GLY 13 8.569 4.247 -5.942 81 HA2 GLY 13 2HA GLY 13 10.128 5.619 -4.937 82 HA3 GLY 13 3HA GLY 13 10.621 6.245 -6.515 83 H HIS 14 H HIS 14 7.240 6.256 -6.595 84 HA HIS 14 HA HIS 14 7.099 8.931 -5.383 85 HB2 HIS 14 2HB HIS 14 6.135 8.148 -8.179 86 HB3 HIS 14 3HB HIS 14 5.801 9.689 -7.379 87 HD2 HIS 14 HD2 HIS 14 8.469 8.124 -9.633 88 HE1 HIS 14 HE1 HIS 14 10.200 11.671 -7.977 89 H CYS 15 H CYS 15 6.151 6.206 -4.481 90 HA CYS 15 HA CYS 15 3.258 6.771 -4.231 91 HB2 CYS 15 2HB CYS 15 2.824 4.546 -5.243 92 HB3 CYS 15 3HB CYS 15 3.754 5.498 -6.407 93 HG CYS 15 HG CYS 15 4.461 2.526 -5.403 94 H ALA 16 H ALA 16 6.226 4.910 -3.384 95 HA ALA 16 HA ALA 16 5.020 3.302 -1.439 96 HB1 ALA 16 3HB ALA 16 7.868 4.396 -1.648 97 HB2 ALA 16 1HB ALA 16 7.344 3.030 -0.606 98 HB3 ALA 16 2HB ALA 16 7.251 2.883 -2.394 99 H GLY 17 H GLY 17 6.549 6.609 -1.182 100 HA2 GLY 17 2HA GLY 17 6.337 6.770 1.618 101 HA3 GLY 17 3HA GLY 17 6.484 8.113 0.476 102 H VAL 18 H VAL 18 4.031 7.669 -1.056 103 HA VAL 18 HA VAL 18 2.292 9.064 0.674 104 HB VAL 18 HB VAL 18 1.908 7.807 -2.087 105 HG11 VAL 18 1HG1 VAL 18 -0.151 9.173 -2.247 106 HG12 VAL 18 2HG1 VAL 18 -0.261 7.948 -0.938 107 HG13 VAL 18 3HG1 VAL 18 0.051 9.670 -0.533 108 HG21 VAL 18 3HG2 VAL 18 3.522 9.659 -1.996 109 HG22 VAL 18 1HG2 VAL 18 2.026 10.158 -2.856 110 HG23 VAL 18 2HG2 VAL 18 2.310 10.691 -1.165 111 H ILE 19 H ILE 19 2.250 5.678 -0.711 112 HA ILE 19 HA ILE 19 -0.298 5.115 0.355 113 HB ILE 19 HB ILE 19 1.973 3.358 -0.695 114 HG12 ILE 19 2HG1 ILE 19 -0.763 4.016 -1.882 115 HG13 ILE 19 3HG1 ILE 19 0.707 4.929 -2.250 116 HG21 ILE 19 1HG2 ILE 19 0.340 1.503 -0.732 117 HG22 ILE 19 2HG2 ILE 19 0.670 2.070 0.940 118 HG23 ILE 19 3HG2 ILE 19 -0.854 2.543 0.116 119 HD11 ILE 19 3HD1 ILE 19 0.280 1.952 -2.771 120 HD12 ILE 19 1HD1 ILE 19 0.237 3.267 -3.993 121 HD13 ILE 19 2HD1 ILE 19 1.772 2.879 -3.145 122 H LYS 20 H LYS 20 3.093 4.533 1.515 123 HA LYS 20 HA LYS 20 2.417 2.832 3.637 124 HB2 LYS 20 2HB LYS 20 4.703 3.129 2.760 125 HB3 LYS 20 3HB LYS 20 4.711 4.819 3.281 126 HG2 LYS 20 2HG LYS 20 4.522 4.086 5.660 127 HG3 LYS 20 3HG LYS 20 4.514 2.396 5.138 128 HD2 LYS 20 2HD LYS 20 6.769 2.665 4.133 129 HD3 LYS 20 3HD LYS 20 6.776 4.381 4.560 130 HE2 LYS 20 2HE LYS 20 6.566 3.752 6.992 131 HE3 LYS 20 3HE LYS 20 6.631 2.044 6.537 132 HZ1 LYS 20 3HZ LYS 20 8.760 4.022 6.027 133 HZ2 LYS 20 1HZ LYS 20 8.782 2.870 7.184 134 HZ3 LYS 20 2HZ LYS 20 8.820 2.445 5.608 135 H GLY 21 H GLY 21 2.902 6.469 3.574 136 HA2 GLY 21 2HA GLY 21 2.318 6.809 6.308 137 HA3 GLY 21 3HA GLY 21 2.260 8.040 5.039 138 H ALA 22 H ALA 22 0.203 6.734 3.352 139 HA ALA 22 HA ALA 22 -2.026 7.904 4.608 140 HB1 ALA 22 3HB ALA 22 -1.817 5.994 2.228 141 HB2 ALA 22 1HB ALA 22 -3.258 6.975 2.662 142 HB3 ALA 22 2HB ALA 22 -1.735 7.787 2.165 143 H ILE 23 H ILE 23 -1.037 4.425 4.153 144 HA ILE 23 HA ILE 23 -3.429 3.469 5.348 145 HB ILE 23 HB ILE 23 -0.717 2.155 4.806 146 HG12 ILE 23 2HG1 ILE 23 -3.385 1.837 3.360 147 HG13 ILE 23 3HG1 ILE 23 -2.132 2.977 2.851 148 HG21 ILE 23 1HG2 ILE 23 -1.891 0.007 5.156 149 HG22 ILE 23 2HG2 ILE 23 -1.873 1.009 6.646 150 HG23 ILE 23 3HG2 ILE 23 -3.367 0.899 5.656 151 HD11 ILE 23 3HD1 ILE 23 -1.808 -0.051 3.061 152 HD12 ILE 23 1HD1 ILE 23 -2.017 0.898 1.551 153 HD13 ILE 23 2HD1 ILE 23 -0.536 1.106 2.545 154 H GLU 24 H GLU 24 -0.001 3.959 6.512 155 HA GLU 24 HA GLU 24 -0.341 2.791 9.015 156 HB2 GLU 24 2HB GLU 24 1.831 3.431 7.978 157 HB3 GLU 24 3HB GLU 24 1.421 5.141 8.164 158 HG2 GLU 24 2HG GLU 24 1.396 4.891 10.631 159 HG3 GLU 24 3HG GLU 24 1.735 3.162 10.476 160 H LYS 25 H LYS 25 -1.161 6.108 7.832 161 HA LYS 25 HA LYS 25 -1.551 7.264 10.358 162 HB2 LYS 25 2HB LYS 25 -1.326 8.511 8.223 163 HB3 LYS 25 3HB LYS 25 -2.867 7.848 7.663 164 HG2 LYS 25 2HG LYS 25 -4.069 9.016 9.482 165 HG3 LYS 25 3HG LYS 25 -2.540 9.619 10.136 166 HD2 LYS 25 2HD LYS 25 -2.104 10.848 8.004 167 HD3 LYS 25 3HD LYS 25 -3.621 10.233 7.335 168 HE2 LYS 25 2HE LYS 25 -4.887 11.358 9.182 169 HE3 LYS 25 3HE LYS 25 -3.368 11.980 9.839 170 HZ1 LYS 25 3HZ LYS 25 -4.442 12.599 7.162 171 HZ2 LYS 25 1HZ LYS 25 -4.460 13.597 8.454 172 HZ3 LYS 25 2HZ LYS 25 -3.040 13.174 7.769 173 H THR 26 H THR 26 -3.700 5.242 8.265 174 HA THR 26 HA THR 26 -5.911 5.790 10.074 175 HB THR 26 HB THR 26 -7.264 4.531 8.419 176 HG1 THR 26 HG1 THR 26 -4.722 3.726 7.616 177 HG21 THR 26 3HG2 THR 26 -5.411 6.604 7.146 178 HG22 THR 26 1HG2 THR 26 -7.010 6.090 6.510 179 HG23 THR 26 2HG2 THR 26 -6.903 6.949 8.084 180 H VAL 27 H VAL 27 -3.376 3.433 9.570 181 HA VAL 27 HA VAL 27 -4.891 1.542 11.235 182 HB VAL 27 HB VAL 27 -2.769 0.907 9.122 183 HG11 VAL 27 1HG1 VAL 27 -3.393 -1.451 9.557 184 HG12 VAL 27 2HG1 VAL 27 -2.732 -0.653 11.024 185 HG13 VAL 27 3HG1 VAL 27 -4.502 -0.912 10.863 186 HG21 VAL 27 3HG2 VAL 27 -4.886 1.618 8.099 187 HG22 VAL 27 1HG2 VAL 27 -4.630 -0.146 7.875 188 HG23 VAL 27 2HG2 VAL 27 -5.788 0.443 9.116 189 HA PRO 28 HA PRO 28 -1.200 2.823 13.637 190 HB2 PRO 28 2HB PRO 28 -2.445 2.624 16.106 191 HB3 PRO 28 3HB PRO 28 -2.679 4.051 15.089 192 HG2 PRO 28 2HG PRO 28 -4.474 1.620 15.404 193 HG3 PRO 28 3HG PRO 28 -4.918 3.332 15.395 194 HD2 PRO 28 2HD PRO 28 -5.213 1.792 13.165 195 HD3 PRO 28 3HD PRO 28 -4.773 3.500 13.038 196 H GLY 29 H GLY 29 0.375 1.667 14.684 197 HA2 GLY 29 2HA GLY 29 1.223 -0.086 15.879 198 HA3 GLY 29 3HA GLY 29 -0.352 -0.890 15.848 199 H ALA 30 H ALA 30 -1.067 -1.619 13.459 200 HA ALA 30 HA ALA 30 0.720 -3.491 12.510 201 HB1 ALA 30 3HB ALA 30 -1.495 -1.987 11.033 202 HB2 ALA 30 1HB ALA 30 -0.734 -3.523 10.498 203 HB3 ALA 30 2HB ALA 30 -1.693 -3.477 12.016 204 H ALA 31 H ALA 31 2.375 -3.555 10.983 205 HA ALA 31 HA ALA 31 3.449 -0.903 10.386 206 HB1 ALA 31 3HB ALA 31 4.662 -3.707 10.259 207 HB2 ALA 31 1HB ALA 31 5.539 -2.170 9.948 208 HB3 ALA 31 2HB ALA 31 4.878 -2.512 11.582 209 H VAL 32 H VAL 32 3.533 -0.041 8.343 210 HA VAL 32 HA VAL 32 2.617 -1.808 6.193 211 HB VAL 32 HB VAL 32 2.722 1.247 6.369 212 HG11 VAL 32 1HG1 VAL 32 1.384 1.188 4.286 213 HG12 VAL 32 2HG1 VAL 32 3.001 0.436 4.065 214 HG13 VAL 32 3HG1 VAL 32 1.544 -0.601 4.240 215 HG21 VAL 32 3HG2 VAL 32 1.036 0.273 7.868 216 HG22 VAL 32 1HG2 VAL 32 0.254 1.094 6.475 217 HG23 VAL 32 2HG2 VAL 32 0.372 -0.698 6.511 218 H HIS 33 H HIS 33 4.109 -2.502 4.694 219 HA HIS 33 HA HIS 33 6.510 -0.822 4.347 220 HB2 HIS 33 2HB HIS 33 6.289 -3.871 4.212 221 HB3 HIS 33 3HB HIS 33 7.748 -2.923 3.893 222 HD2 HIS 33 HD2 HIS 33 5.791 -4.409 6.899 223 HE1 HIS 33 HE1 HIS 33 9.009 -2.070 8.477 224 H ALA 34 H ALA 34 6.159 0.236 2.402 225 HA ALA 34 HA ALA 34 5.134 -1.391 0.176 226 HB1 ALA 34 3HB ALA 34 5.508 1.625 0.512 227 HB2 ALA 34 1HB ALA 34 4.835 0.807 -0.938 228 HB3 ALA 34 2HB ALA 34 3.958 0.726 0.627 229 H ASP 35 H ASP 35 6.505 -2.123 -1.394 230 HA ASP 35 HA ASP 35 9.108 -0.745 -1.612 231 HB2 ASP 35 2HB ASP 35 9.277 -3.033 -0.629 232 HB3 ASP 35 3HB ASP 35 8.441 -3.699 -2.038 233 HA PRO 36 HA PRO 36 7.269 -0.136 -5.705 234 HB2 PRO 36 2HB PRO 36 8.931 1.997 -6.356 235 HB3 PRO 36 3HB PRO 36 7.547 2.236 -5.281 236 HG2 PRO 36 2HG PRO 36 10.468 1.832 -4.571 237 HG3 PRO 36 3HG PRO 36 9.314 2.997 -3.910 238 HD2 PRO 36 2HD PRO 36 9.931 0.679 -2.592 239 HD3 PRO 36 3HD PRO 36 8.325 1.410 -2.476 240 H ALA 37 H ALA 37 10.600 -0.845 -4.745 241 HA ALA 37 HA ALA 37 11.608 -1.245 -7.349 242 HB1 ALA 37 3HB ALA 37 12.295 -2.576 -4.685 243 HB2 ALA 37 1HB ALA 37 13.288 -2.644 -6.179 244 HB3 ALA 37 2HB ALA 37 13.026 -1.075 -5.346 245 H SER 38 H SER 38 9.700 -3.359 -5.104 246 HA SER 38 HA SER 38 9.719 -5.447 -7.166 247 HB2 SER 38 2HB SER 38 8.782 -6.858 -5.456 248 HB3 SER 38 3HB SER 38 10.175 -6.011 -4.770 249 HG SER 38 HG SER 38 8.220 -4.385 -4.237 250 H ARG 39 H ARG 39 7.926 -2.651 -6.325 251 HA ARG 39 HA ARG 39 5.959 -1.880 -6.955 252 HB2 ARG 39 2HB ARG 39 5.884 -4.292 -8.785 253 HB3 ARG 39 3HB ARG 39 4.723 -2.959 -8.810 254 HG2 ARG 39 2HG ARG 39 6.765 -1.409 -9.166 255 HG3 ARG 39 3HG ARG 39 7.682 -2.886 -9.494 256 HD2 ARG 39 2HD ARG 39 5.199 -1.988 -10.972 257 HD3 ARG 39 3HD ARG 39 6.864 -1.748 -11.516 258 HE ARG 39 HE ARG 39 5.304 -4.187 -11.660 259 HH11 ARG 39 1HH1 ARG 39 8.557 -2.859 -11.676 260 HH12 ARG 39 2HH1 ARG 39 9.241 -4.242 -12.464 261 HH21 ARG 39 1HH2 ARG 39 6.191 -5.946 -12.679 262 HH22 ARG 39 2HH2 ARG 39 7.883 -6.015 -13.041 263 H THR 40 H THR 40 6.113 -3.456 -4.534 264 HA THR 40 HA THR 40 3.419 -4.601 -4.532 265 HB THR 40 HB THR 40 5.894 -5.884 -3.257 266 HG1 THR 40 HG1 THR 40 4.304 -6.468 -5.610 267 HG21 THR 40 3HG2 THR 40 2.979 -6.795 -3.403 268 HG22 THR 40 1HG2 THR 40 4.345 -7.739 -2.718 269 HG23 THR 40 2HG2 THR 40 3.833 -6.205 -1.937 270 H VAL 41 H VAL 41 2.208 -4.061 -2.693 271 HA VAL 41 HA VAL 41 3.710 -2.689 -0.571 272 HB VAL 41 HB VAL 41 0.785 -2.391 -1.430 273 HG11 VAL 41 1HG1 VAL 41 0.708 -0.555 0.229 274 HG12 VAL 41 2HG1 VAL 41 1.052 -2.140 1.001 275 HG13 VAL 41 3HG1 VAL 41 2.381 -0.958 0.745 276 HG21 VAL 41 3HG2 VAL 41 2.361 -1.345 -3.000 277 HG22 VAL 41 1HG2 VAL 41 1.460 -0.098 -2.073 278 HG23 VAL 41 2HG2 VAL 41 3.161 -0.483 -1.642 279 H VAL 42 H VAL 42 3.748 -3.685 1.425 280 HA VAL 42 HA VAL 42 1.737 -5.787 1.849 281 HB VAL 42 HB VAL 42 4.618 -5.588 2.868 282 HG11 VAL 42 1HG1 VAL 42 4.210 -7.827 3.843 283 HG12 VAL 42 2HG1 VAL 42 3.134 -6.580 4.559 284 HG13 VAL 42 3HG1 VAL 42 2.490 -7.729 3.337 285 HG21 VAL 42 3HG2 VAL 42 4.462 -6.230 0.500 286 HG22 VAL 42 1HG2 VAL 42 4.975 -7.626 1.507 287 HG23 VAL 42 2HG2 VAL 42 3.283 -7.520 0.914 288 H VAL 43 H VAL 43 0.438 -5.599 3.675 289 HA VAL 43 HA VAL 43 1.365 -3.698 5.717 290 HB VAL 43 HB VAL 43 -1.488 -4.484 4.933 291 HG11 VAL 43 1HG1 VAL 43 -2.187 -2.786 6.595 292 HG12 VAL 43 2HG1 VAL 43 -1.278 -4.135 7.358 293 HG13 VAL 43 3HG1 VAL 43 -0.471 -2.556 7.073 294 HG21 VAL 43 3HG2 VAL 43 -0.429 -2.952 3.329 295 HG22 VAL 43 1HG2 VAL 43 -1.698 -2.106 4.277 296 HG23 VAL 43 2HG2 VAL 43 0.036 -1.850 4.668 297 H GLY 44 H GLY 44 2.002 -4.716 7.607 298 HA2 GLY 44 2HA GLY 44 1.458 -7.543 7.844 299 HA3 GLY 44 3HA GLY 44 2.508 -6.544 8.858 300 H GLY 45 H GLY 45 0.738 -8.514 9.977 301 HA2 GLY 45 2HA GLY 45 -0.492 -8.539 11.883 302 HA3 GLY 45 3HA GLY 45 -0.685 -6.784 11.791 303 H VAL 46 H VAL 46 -2.741 -6.038 11.360 304 HA VAL 46 HA VAL 46 -4.356 -7.568 9.494 305 HB VAL 46 HB VAL 46 -4.980 -8.468 11.724 306 HG11 VAL 46 1HG1 VAL 46 -6.044 -6.995 13.402 307 HG12 VAL 46 2HG1 VAL 46 -4.335 -6.534 13.095 308 HG13 VAL 46 3HG1 VAL 46 -5.669 -5.567 12.380 309 HG21 VAL 46 3HG2 VAL 46 -6.701 -8.281 9.980 310 HG22 VAL 46 1HG2 VAL 46 -7.407 -8.001 11.608 311 HG23 VAL 46 2HG2 VAL 46 -7.082 -6.610 10.518 312 H SER 47 H SER 47 -5.805 -6.245 8.297 313 HA SER 47 HA SER 47 -6.439 -3.599 9.240 314 HB2 SER 47 2HB SER 47 -4.202 -3.188 8.328 315 HB3 SER 47 3HB SER 47 -4.620 -4.024 6.827 316 HG SER 47 HG SER 47 -6.153 -1.786 7.761 317 H ASP 48 H ASP 48 -8.266 -2.724 8.135 318 HA ASP 48 HA ASP 48 -9.854 -4.469 6.601 319 HB2 ASP 48 2HB ASP 48 -10.677 -2.520 7.932 320 HB3 ASP 48 3HB ASP 48 -9.877 -1.418 6.804 321 H ALA 49 H ALA 49 -9.293 -5.252 4.599 322 HA ALA 49 HA ALA 49 -7.309 -4.035 3.025 323 HB1 ALA 49 3HB ALA 49 -9.466 -6.087 2.324 324 HB2 ALA 49 1HB ALA 49 -8.014 -5.715 1.336 325 HB3 ALA 49 2HB ALA 49 -7.827 -6.443 2.967 326 H ALA 50 H ALA 50 -10.869 -3.632 3.139 327 HA ALA 50 HA ALA 50 -11.214 -2.584 0.569 328 HB1 ALA 50 3HB ALA 50 -12.686 -1.998 3.184 329 HB2 ALA 50 1HB ALA 50 -13.280 -1.602 1.536 330 HB3 ALA 50 2HB ALA 50 -13.061 -3.317 2.024 331 H HIS 51 H HIS 51 -10.255 -0.985 3.690 332 HA HIS 51 HA HIS 51 -10.411 1.634 2.613 333 HB2 HIS 51 2HB HIS 51 -8.985 0.421 5.027 334 HB3 HIS 51 3HB HIS 51 -8.950 2.150 4.657 335 HD2 HIS 51 HD2 HIS 51 -12.409 1.653 3.734 336 HE1 HIS 51 HE1 HIS 51 -12.603 1.629 8.010 337 H ILE 52 H ILE 52 -7.745 -0.815 2.923 338 HA ILE 52 HA ILE 52 -5.699 0.909 2.116 339 HB ILE 52 HB ILE 52 -6.068 -2.118 1.932 340 HG12 ILE 52 2HG1 ILE 52 -4.250 -0.425 3.706 341 HG13 ILE 52 3HG1 ILE 52 -5.871 -0.944 4.185 342 HG21 ILE 52 1HG2 ILE 52 -3.648 -2.257 1.446 343 HG22 ILE 52 2HG2 ILE 52 -4.546 -1.412 0.139 344 HG23 ILE 52 3HG2 ILE 52 -3.575 -0.467 1.318 345 HD11 ILE 52 3HD1 ILE 52 -3.549 -2.789 3.465 346 HD12 ILE 52 1HD1 ILE 52 -4.155 -2.429 5.117 347 HD13 ILE 52 2HD1 ILE 52 -5.195 -3.316 3.951 348 H ALA 53 H ALA 53 -8.004 -1.174 0.236 349 HA ALA 53 HA ALA 53 -6.728 -0.841 -2.248 350 HB1 ALA 53 3HB ALA 53 -9.655 -1.360 -1.532 351 HB2 ALA 53 1HB ALA 53 -8.920 -1.575 -3.156 352 HB3 ALA 53 2HB ALA 53 -8.384 -2.603 -1.784 353 H GLU 54 H GLU 54 -9.261 1.114 -0.523 354 HA GLU 54 HA GLU 54 -9.707 2.886 -2.674 355 HB2 GLU 54 2HB GLU 54 -10.021 3.106 0.354 356 HB3 GLU 54 3HB GLU 54 -10.479 4.409 -0.751 357 HG2 GLU 54 2HG GLU 54 -12.127 2.952 -1.857 358 HG3 GLU 54 3HG GLU 54 -11.612 1.572 -0.879 359 H ILE 55 H ILE 55 -7.251 2.793 -0.016 360 HA ILE 55 HA ILE 55 -6.333 5.415 -0.432 361 HB ILE 55 HB ILE 55 -5.086 2.911 0.788 362 HG12 ILE 55 2HG1 ILE 55 -5.976 5.533 2.073 363 HG13 ILE 55 3HG1 ILE 55 -7.039 4.131 1.895 364 HG21 ILE 55 1HG2 ILE 55 -3.288 4.370 1.659 365 HG22 ILE 55 2HG2 ILE 55 -3.272 4.287 -0.135 366 HG23 ILE 55 3HG2 ILE 55 -3.934 5.738 0.692 367 HD11 ILE 55 3HD1 ILE 55 -4.403 4.185 3.432 368 HD12 ILE 55 1HD1 ILE 55 -6.053 4.214 4.140 369 HD13 ILE 55 2HD1 ILE 55 -5.483 2.762 3.251 370 H ILE 56 H ILE 56 -5.217 2.181 -1.715 371 HA ILE 56 HA ILE 56 -3.003 3.216 -3.073 372 HB ILE 56 HB ILE 56 -4.714 0.718 -3.482 373 HG12 ILE 56 2HG1 ILE 56 -1.875 1.047 -2.406 374 HG13 ILE 56 3HG1 ILE 56 -3.312 1.026 -1.375 375 HG21 ILE 56 1HG2 ILE 56 -2.900 -0.125 -4.936 376 HG22 ILE 56 2HG2 ILE 56 -3.692 1.329 -5.631 377 HG23 ILE 56 3HG2 ILE 56 -2.086 1.473 -4.841 378 HD11 ILE 56 3HD1 ILE 56 -2.414 -1.227 -3.228 379 HD12 ILE 56 1HD1 ILE 56 -2.238 -1.180 -1.441 380 HD13 ILE 56 2HD1 ILE 56 -3.873 -1.249 -2.181 381 H THR 57 H THR 57 -6.443 2.615 -4.129 382 HA THR 57 HA THR 57 -6.043 3.401 -6.784 383 HB THR 57 HB THR 57 -8.526 3.552 -4.994 384 HG1 THR 57 HG1 THR 57 -7.959 1.405 -5.227 385 HG21 THR 57 3HG2 THR 57 -8.258 3.691 -8.038 386 HG22 THR 57 1HG2 THR 57 -9.799 3.609 -7.120 387 HG23 THR 57 2HG2 THR 57 -8.730 5.042 -6.952 388 H ALA 58 H ALA 58 -6.809 5.275 -3.768 389 HA ALA 58 HA ALA 58 -7.392 7.701 -5.069 390 HB1 ALA 58 3HB ALA 58 -6.255 7.118 -2.290 391 HB2 ALA 58 1HB ALA 58 -6.960 8.680 -2.828 392 HB3 ALA 58 2HB ALA 58 -7.994 7.215 -2.730 393 H ALA 59 H ALA 59 -4.282 6.153 -4.088 394 HA ALA 59 HA ALA 59 -2.737 8.482 -4.711 395 HB1 ALA 59 3HB ALA 59 -2.000 5.525 -4.447 396 HB2 ALA 59 1HB ALA 59 -0.837 6.890 -4.546 397 HB3 ALA 59 2HB ALA 59 -1.947 6.757 -3.140 398 H GLY 60 H GLY 60 -4.388 6.073 -6.648 399 HA2 GLY 60 2HA GLY 60 -4.751 6.417 -8.881 400 HA3 GLY 60 3HA GLY 60 -3.376 7.527 -8.950 401 H TYR 61 H TYR 61 -2.772 4.437 -7.347 402 HA TYR 61 HA TYR 61 -1.412 3.525 -9.803 403 HB2 TYR 61 2HB TYR 61 -0.626 3.091 -6.879 404 HB3 TYR 61 3HB TYR 61 0.237 2.465 -8.290 405 HD1 TYR 61 HD1 TYR 61 1.132 4.230 -10.002 406 HD2 TYR 61 HD2 TYR 61 -0.055 5.192 -5.990 407 HE1 TYR 61 HE1 TYR 61 2.476 6.307 -10.104 408 HE2 TYR 61 HE2 TYR 61 1.290 7.269 -6.086 409 HH TYR 61 HH TYR 61 3.278 8.124 -7.338 410 H THR 62 H THR 62 -3.455 2.372 -10.386 411 HA THR 62 HA THR 62 -3.693 -0.080 -8.786 412 HB THR 62 HB THR 62 -5.888 -0.389 -9.903 413 HG1 THR 62 HG1 THR 62 -6.718 1.424 -11.172 414 HG21 THR 62 3HG2 THR 62 -5.546 2.372 -8.633 415 HG22 THR 62 1HG2 THR 62 -7.093 1.477 -8.806 416 HG23 THR 62 2HG2 THR 62 -5.791 0.824 -7.756 417 HA PRO 63 HA PRO 63 -1.882 -2.251 -12.133 418 HB2 PRO 63 2HB PRO 63 -2.918 -4.795 -11.668 419 HB3 PRO 63 3HB PRO 63 -1.768 -4.070 -10.536 420 HG2 PRO 63 2HG PRO 63 -4.793 -4.192 -10.368 421 HG3 PRO 63 3HG PRO 63 -3.596 -4.508 -9.105 422 HD2 PRO 63 2HD PRO 63 -4.909 -2.118 -9.253 423 HD3 PRO 63 3HD PRO 63 -3.240 -2.213 -8.677 424 H GLU 64 H GLU 64 -2.204 -3.615 -14.084 425 HA GLU 64 HA GLU 64 -4.236 -2.516 -15.649 426 HB2 GLU 64 2HB GLU 64 -2.086 -3.467 -16.481 427 HB3 GLU 64 3HB GLU 64 -2.629 -5.089 -16.028 428 HG2 GLU 64 2HG GLU 64 -4.503 -4.933 -17.652 429 HG3 GLU 64 3HG GLU 64 -4.006 -3.292 -18.085 Start of MODEL 7 1 H ALA 1 1H ALA 1 3.565 -12.491 7.823 2 HA ALA 1 HA ALA 1 1.715 -12.880 6.401 3 HB1 ALA 1 3HB ALA 1 1.198 -13.366 9.377 4 HB2 ALA 1 1HB ALA 1 0.382 -14.213 8.019 5 HB3 ALA 1 2HB ALA 1 2.148 -14.420 8.274 6 H GLY 2 H GLY 2 1.114 -10.491 5.832 7 HA2 GLY 2 2HA GLY 2 -1.458 -9.906 7.182 8 HA3 GLY 2 3HA GLY 2 -0.313 -8.652 6.688 9 H LEU 3 H LEU 3 -1.373 -7.554 5.031 10 HA LEU 3 HA LEU 3 -2.632 -9.183 2.935 11 HB2 LEU 3 2HB LEU 3 -2.711 -6.188 3.547 12 HB3 LEU 3 3HB LEU 3 -3.565 -6.976 2.213 13 HG LEU 3 HG LEU 3 -4.046 -7.543 5.186 14 HD11 LEU 3 1HD1 LEU 3 -6.177 -6.355 4.820 15 HD12 LEU 3 2HD1 LEU 3 -4.766 -5.285 4.521 16 HD13 LEU 3 3HD1 LEU 3 -5.679 -5.974 3.137 17 HD21 LEU 3 3HD2 LEU 3 -4.470 -9.488 3.726 18 HD22 LEU 3 1HD2 LEU 3 -6.007 -8.800 4.350 19 HD23 LEU 3 2HD2 LEU 3 -5.498 -8.471 2.660 20 H SER 4 H SER 4 -1.986 -9.066 0.743 21 HA SER 4 HA SER 4 0.454 -7.473 0.251 22 HB2 SER 4 2HB SER 4 1.000 -9.864 0.420 23 HB3 SER 4 3HB SER 4 -0.283 -10.270 -0.728 24 HG SER 4 HG SER 4 1.801 -10.169 -1.729 25 H PHE 5 H PHE 5 0.294 -6.040 -1.427 26 HA PHE 5 HA PHE 5 -1.737 -6.639 -3.484 27 HB2 PHE 5 2HB PHE 5 -0.929 -3.924 -2.333 28 HB3 PHE 5 3HB PHE 5 -1.998 -4.163 -3.721 29 HD1 PHE 5 HD1 PHE 5 -4.266 -5.069 -3.427 30 HD2 PHE 5 HD2 PHE 5 -1.684 -4.385 -0.063 31 HE1 PHE 5 HE1 PHE 5 -6.208 -5.239 -1.903 32 HE2 PHE 5 HE2 PHE 5 -3.625 -4.558 1.461 33 HZ PHE 5 HZ PHE 5 -5.891 -4.984 0.546 34 H HIS 6 H HIS 6 -1.110 -6.293 -5.653 35 HA HIS 6 HA HIS 6 1.708 -5.509 -6.009 36 HB2 HIS 6 2HB HIS 6 1.478 -7.995 -6.039 37 HB3 HIS 6 3HB HIS 6 0.253 -7.867 -7.309 38 HD2 HIS 6 HD2 HIS 6 1.292 -7.963 -9.846 39 HE1 HIS 6 HE1 HIS 6 5.355 -7.057 -8.839 40 H VAL 7 H VAL 7 1.981 -3.937 -7.555 41 HA VAL 7 HA VAL 7 -0.249 -3.574 -9.431 42 HB VAL 7 HB VAL 7 1.258 -1.399 -7.893 43 HG11 VAL 7 1HG1 VAL 7 -0.311 0.162 -9.002 44 HG12 VAL 7 2HG1 VAL 7 0.722 -0.704 -10.189 45 HG13 VAL 7 3HG1 VAL 7 -0.988 -1.202 -9.954 46 HG21 VAL 7 3HG2 VAL 7 -0.388 -2.580 -6.501 47 HG22 VAL 7 1HG2 VAL 7 -0.950 -0.918 -6.881 48 HG23 VAL 7 2HG2 VAL 7 -1.650 -2.323 -7.753 49 H GLU 8 H GLU 8 0.498 -3.717 -11.526 50 HA GLU 8 HA GLU 8 3.334 -3.761 -11.970 51 HB2 GLU 8 2HB GLU 8 0.895 -4.002 -13.794 52 HB3 GLU 8 3HB GLU 8 2.562 -4.126 -14.372 53 HG2 GLU 8 2HG GLU 8 1.342 -5.947 -12.240 54 HG3 GLU 8 3HG GLU 8 1.423 -6.340 -13.962 55 H ASP 9 H ASP 9 0.654 -1.410 -12.451 56 HA ASP 9 HA ASP 9 2.287 0.124 -14.314 57 HB2 ASP 9 2HB ASP 9 -0.556 0.484 -13.248 58 HB3 ASP 9 3HB ASP 9 0.213 1.539 -14.441 59 H MET 10 H MET 10 2.447 -0.195 -11.054 60 HA MET 10 HA MET 10 2.062 2.478 -10.157 61 HB2 MET 10 2HB MET 10 1.949 0.491 -8.688 62 HB3 MET 10 3HB MET 10 3.647 0.125 -9.023 63 HG2 MET 10 2HG MET 10 4.331 2.257 -7.951 64 HG3 MET 10 3HG MET 10 2.636 2.655 -7.640 65 HE1 MET 10 3HE MET 10 1.102 0.459 -6.615 66 HE2 MET 10 1HE MET 10 1.539 0.162 -4.899 67 HE3 MET 10 2HE MET 10 1.324 1.843 -5.493 68 H THR 11 H THR 11 3.318 4.223 -10.751 69 HA THR 11 HA THR 11 6.010 4.026 -11.509 70 HB THR 11 HB THR 11 4.479 6.334 -10.196 71 HG1 THR 11 HG1 THR 11 4.292 7.031 -12.447 72 HG21 THR 11 3HG2 THR 11 7.082 6.305 -11.804 73 HG22 THR 11 1HG2 THR 11 6.218 7.770 -11.226 74 HG23 THR 11 2HG2 THR 11 6.927 6.620 -10.042 75 H CYS 12 H CYS 12 7.976 4.251 -10.294 76 HA CYS 12 HA CYS 12 7.607 3.295 -7.485 77 HB2 CYS 12 2HB CYS 12 9.777 3.168 -9.693 78 HB3 CYS 12 3HB CYS 12 9.898 2.361 -8.124 79 HG CYS 12 HG CYS 12 8.310 0.289 -8.683 80 H GLY 13 H GLY 13 8.460 4.359 -5.771 81 HA2 GLY 13 2HA GLY 13 9.979 5.768 -4.740 82 HA3 GLY 13 3HA GLY 13 10.443 6.442 -6.308 83 H HIS 14 H HIS 14 7.054 6.295 -6.355 84 HA HIS 14 HA HIS 14 6.802 8.941 -5.099 85 HB2 HIS 14 2HB HIS 14 5.838 8.157 -7.896 86 HB3 HIS 14 3HB HIS 14 5.442 9.668 -7.066 87 HD2 HIS 14 HD2 HIS 14 8.163 8.255 -9.366 88 HE1 HIS 14 HE1 HIS 14 9.727 11.874 -7.697 89 H CYS 15 H CYS 15 5.999 6.185 -4.196 90 HA CYS 15 HA CYS 15 3.066 6.537 -4.007 91 HB2 CYS 15 2HB CYS 15 2.829 4.280 -5.025 92 HB3 CYS 15 3HB CYS 15 3.704 5.305 -6.170 93 HG CYS 15 HG CYS 15 4.619 2.404 -5.379 94 H ALA 16 H ALA 16 6.134 4.863 -3.106 95 HA ALA 16 HA ALA 16 5.007 3.252 -1.115 96 HB1 ALA 16 3HB ALA 16 7.793 4.495 -1.351 97 HB2 ALA 16 1HB ALA 16 7.340 3.138 -0.264 98 HB3 ALA 16 2HB ALA 16 7.266 2.925 -2.046 99 H GLY 17 H GLY 17 6.399 6.630 -0.945 100 HA2 GLY 17 2HA GLY 17 6.110 6.886 1.839 101 HA3 GLY 17 3HA GLY 17 6.218 8.192 0.651 102 H VAL 18 H VAL 18 3.812 7.541 -0.911 103 HA VAL 18 HA VAL 18 1.987 8.947 0.722 104 HB VAL 18 HB VAL 18 1.710 7.552 -1.984 105 HG11 VAL 18 1HG1 VAL 18 -0.399 8.824 -2.244 106 HG12 VAL 18 2HG1 VAL 18 -0.485 7.656 -0.882 107 HG13 VAL 18 3HG1 VAL 18 -0.250 9.406 -0.551 108 HG21 VAL 18 3HG2 VAL 18 3.245 9.469 -1.953 109 HG22 VAL 18 1HG2 VAL 18 1.747 9.866 -2.860 110 HG23 VAL 18 2HG2 VAL 18 1.978 10.489 -1.192 111 H ILE 19 H ILE 19 2.088 5.508 -0.525 112 HA ILE 19 HA ILE 19 -0.428 4.862 0.542 113 HB ILE 19 HB ILE 19 1.968 3.177 -0.329 114 HG12 ILE 19 2HG1 ILE 19 -0.765 3.579 -1.626 115 HG13 ILE 19 3HG1 ILE 19 0.650 4.567 -2.013 116 HG21 ILE 19 1HG2 ILE 19 0.441 1.231 -0.279 117 HG22 ILE 19 2HG2 ILE 19 0.691 1.926 1.358 118 HG23 ILE 19 3HG2 ILE 19 -0.833 2.253 0.466 119 HD11 ILE 19 3HD1 ILE 19 0.441 1.542 -2.354 120 HD12 ILE 19 1HD1 ILE 19 0.347 2.773 -3.658 121 HD13 ILE 19 2HD1 ILE 19 1.878 2.545 -2.747 122 H LYS 20 H LYS 20 2.973 4.409 1.778 123 HA LYS 20 HA LYS 20 2.291 2.840 3.987 124 HB2 LYS 20 2HB LYS 20 4.583 3.106 3.122 125 HB3 LYS 20 3HB LYS 20 4.572 4.825 3.536 126 HG2 LYS 20 2HG LYS 20 4.396 4.261 5.949 127 HG3 LYS 20 3HG LYS 20 4.352 2.537 5.557 128 HD2 LYS 20 2HD LYS 20 6.609 2.620 4.615 129 HD3 LYS 20 3HD LYS 20 6.654 4.383 4.742 130 HE2 LYS 20 2HE LYS 20 7.913 3.482 6.604 131 HE3 LYS 20 3HE LYS 20 6.418 4.170 7.251 132 HZ1 LYS 20 3HZ LYS 20 6.305 1.373 6.538 133 HZ2 LYS 20 1HZ LYS 20 7.259 1.738 7.812 134 HZ3 LYS 20 2HZ LYS 20 5.679 2.148 7.832 135 H GLY 21 H GLY 21 2.773 6.473 3.753 136 HA2 GLY 21 2HA GLY 21 2.212 6.946 6.463 137 HA3 GLY 21 3HA GLY 21 2.125 8.112 5.136 138 H ALA 22 H ALA 22 0.045 6.765 3.542 139 HA ALA 22 HA ALA 22 -2.144 8.011 4.799 140 HB1 ALA 22 3HB ALA 22 -2.003 6.039 2.466 141 HB2 ALA 22 1HB ALA 22 -3.418 7.059 2.892 142 HB3 ALA 22 2HB ALA 22 -1.886 7.828 2.357 143 H ILE 23 H ILE 23 -1.204 4.510 4.448 144 HA ILE 23 HA ILE 23 -3.622 3.608 5.618 145 HB ILE 23 HB ILE 23 -0.904 2.274 5.174 146 HG12 ILE 23 2HG1 ILE 23 -3.559 1.874 3.724 147 HG13 ILE 23 3HG1 ILE 23 -2.320 3.013 3.179 148 HG21 ILE 23 1HG2 ILE 23 -2.072 0.136 5.598 149 HG22 ILE 23 2HG2 ILE 23 -2.069 1.196 7.048 150 HG23 ILE 23 3HG2 ILE 23 -3.555 1.041 6.052 151 HD11 ILE 23 3HD1 ILE 23 -1.954 -0.000 3.504 152 HD12 ILE 23 1HD1 ILE 23 -2.168 0.889 1.958 153 HD13 ILE 23 2HD1 ILE 23 -0.695 1.156 2.951 154 H GLU 24 H GLU 24 -0.206 4.027 6.866 155 HA GLU 24 HA GLU 24 -0.783 2.865 9.372 156 HB2 GLU 24 2HB GLU 24 1.417 4.725 8.364 157 HB3 GLU 24 3HB GLU 24 1.387 4.083 10.011 158 HG2 GLU 24 2HG GLU 24 1.445 1.756 9.101 159 HG3 GLU 24 3HG GLU 24 1.486 2.403 7.456 160 H LYS 25 H LYS 25 -1.130 6.193 8.076 161 HA LYS 25 HA LYS 25 -1.309 7.528 10.535 162 HB2 LYS 25 2HB LYS 25 -1.031 8.630 8.335 163 HB3 LYS 25 3HB LYS 25 -2.638 8.084 7.839 164 HG2 LYS 25 2HG LYS 25 -3.686 9.463 9.605 165 HG3 LYS 25 3HG LYS 25 -2.095 9.956 10.198 166 HD2 LYS 25 2HD LYS 25 -1.591 11.015 7.993 167 HD3 LYS 25 3HD LYS 25 -3.169 10.504 7.380 168 HE2 LYS 25 2HE LYS 25 -4.294 11.844 9.176 169 HE3 LYS 25 3HE LYS 25 -2.713 12.365 9.772 170 HZ1 LYS 25 3HZ LYS 25 -3.781 12.918 7.078 171 HZ2 LYS 25 1HZ LYS 25 -3.684 13.989 8.306 172 HZ3 LYS 25 2HZ LYS 25 -2.321 13.399 7.628 173 H THR 26 H THR 26 -3.746 5.662 8.610 174 HA THR 26 HA THR 26 -5.794 6.509 10.506 175 HB THR 26 HB THR 26 -7.377 5.445 8.914 176 HG1 THR 26 HG1 THR 26 -6.491 4.643 6.879 177 HG21 THR 26 3HG2 THR 26 -5.343 7.288 7.564 178 HG22 THR 26 1HG2 THR 26 -7.023 6.986 7.006 179 HG23 THR 26 2HG2 THR 26 -6.733 7.805 8.578 180 H VAL 27 H VAL 27 -3.639 3.825 9.815 181 HA VAL 27 HA VAL 27 -5.227 2.201 11.681 182 HB VAL 27 HB VAL 27 -3.470 1.209 9.376 183 HG11 VAL 27 1HG1 VAL 27 -4.383 -1.016 9.962 184 HG12 VAL 27 2HG1 VAL 27 -3.454 -0.295 11.320 185 HG13 VAL 27 3HG1 VAL 27 -5.249 -0.288 11.357 186 HG21 VAL 27 3HG2 VAL 27 -5.560 2.216 8.562 187 HG22 VAL 27 1HG2 VAL 27 -5.596 0.430 8.375 188 HG23 VAL 27 2HG2 VAL 27 -6.507 1.211 9.711 189 HA PRO 28 HA PRO 28 -1.171 3.043 13.627 190 HB2 PRO 28 2HB PRO 28 -2.142 2.907 16.232 191 HB3 PRO 28 3HB PRO 28 -2.329 4.372 15.260 192 HG2 PRO 28 2HG PRO 28 -4.329 2.137 15.745 193 HG3 PRO 28 3HG PRO 28 -4.587 3.885 15.798 194 HD2 PRO 28 2HD PRO 28 -5.296 2.448 13.603 195 HD3 PRO 28 3HD PRO 28 -4.653 4.086 13.434 196 H GLY 29 H GLY 29 0.413 1.756 14.499 197 HA2 GLY 29 2HA GLY 29 1.198 -0.084 15.640 198 HA3 GLY 29 3HA GLY 29 -0.417 -0.805 15.625 199 H ALA 30 H ALA 30 -1.229 -1.179 13.108 200 HA ALA 30 HA ALA 30 0.349 -3.186 12.045 201 HB1 ALA 30 3HB ALA 30 -1.674 -1.348 10.674 202 HB2 ALA 30 1HB ALA 30 -1.077 -2.915 10.031 203 HB3 ALA 30 2HB ALA 30 -2.041 -2.875 11.546 204 H ALA 31 H ALA 31 2.113 -3.286 10.686 205 HA ALA 31 HA ALA 31 3.279 -0.679 10.019 206 HB1 ALA 31 3HB ALA 31 4.467 -3.494 10.173 207 HB2 ALA 31 1HB ALA 31 5.376 -1.991 9.797 208 HB3 ALA 31 2HB ALA 31 4.621 -2.203 11.413 209 H VAL 32 H VAL 32 3.446 0.031 7.927 210 HA VAL 32 HA VAL 32 2.665 -1.905 5.868 211 HB VAL 32 HB VAL 32 2.669 1.157 5.859 212 HG11 VAL 32 1HG1 VAL 32 1.487 0.937 3.694 213 HG12 VAL 32 2HG1 VAL 32 3.140 0.237 3.627 214 HG13 VAL 32 3HG1 VAL 32 1.711 -0.844 3.758 215 HG21 VAL 32 3HG2 VAL 32 0.914 0.198 7.288 216 HG22 VAL 32 1HG2 VAL 32 0.207 0.916 5.802 217 HG23 VAL 32 2HG2 VAL 32 0.382 -0.866 5.943 218 H HIS 33 H HIS 33 4.204 -2.607 4.412 219 HA HIS 33 HA HIS 33 6.603 -0.912 4.112 220 HB2 HIS 33 2HB HIS 33 6.418 -3.964 4.016 221 HB3 HIS 33 3HB HIS 33 7.878 -3.002 3.755 222 HD2 HIS 33 HD2 HIS 33 5.807 -4.484 6.682 223 HE1 HIS 33 HE1 HIS 33 8.914 -2.080 8.381 224 H ALA 34 H ALA 34 6.282 0.109 2.139 225 HA ALA 34 HA ALA 34 5.253 -1.532 -0.065 226 HB1 ALA 34 3HB ALA 34 5.727 1.477 0.219 227 HB2 ALA 34 1HB ALA 34 5.031 0.657 -1.219 228 HB3 ALA 34 2HB ALA 34 4.148 0.632 0.344 229 H ASP 35 H ASP 35 6.618 -2.371 -1.586 230 HA ASP 35 HA ASP 35 9.239 -1.041 -1.873 231 HB2 ASP 35 2HB ASP 35 9.372 -3.317 -0.860 232 HB3 ASP 35 3HB ASP 35 8.500 -3.984 -2.246 233 HA PRO 36 HA PRO 36 7.228 -0.464 -5.925 234 HB2 PRO 36 2HB PRO 36 8.734 1.769 -6.582 235 HB3 PRO 36 3HB PRO 36 7.335 1.903 -5.509 236 HG2 PRO 36 2HG PRO 36 10.278 1.698 -4.787 237 HG3 PRO 36 3HG PRO 36 9.052 2.797 -4.141 238 HD2 PRO 36 2HD PRO 36 9.774 0.550 -2.781 239 HD3 PRO 36 3HD PRO 36 8.107 1.141 -2.738 240 H ALA 37 H ALA 37 10.635 -0.919 -5.032 241 HA ALA 37 HA ALA 37 11.601 -1.338 -7.634 242 HB1 ALA 37 3HB ALA 37 12.379 -2.616 -4.967 243 HB2 ALA 37 1HB ALA 37 13.356 -2.655 -6.474 244 HB3 ALA 37 2HB ALA 37 13.038 -1.091 -5.650 245 H SER 38 H SER 38 9.801 -3.502 -5.353 246 HA SER 38 HA SER 38 9.838 -5.586 -7.422 247 HB2 SER 38 2HB SER 38 8.944 -7.019 -5.706 248 HB3 SER 38 3HB SER 38 10.329 -6.150 -5.032 249 HG SER 38 HG SER 38 8.344 -4.562 -4.479 250 H ARG 39 H ARG 39 7.997 -2.827 -6.542 251 HA ARG 39 HA ARG 39 6.012 -2.090 -7.155 252 HB2 ARG 39 2HB ARG 39 5.964 -4.494 -8.995 253 HB3 ARG 39 3HB ARG 39 4.781 -3.180 -9.003 254 HG2 ARG 39 2HG ARG 39 6.823 -1.606 -9.352 255 HG3 ARG 39 3HG ARG 39 7.723 -3.078 -9.740 256 HD2 ARG 39 2HD ARG 39 5.217 -2.114 -11.132 257 HD3 ARG 39 3HD ARG 39 6.873 -1.903 -11.715 258 HE ARG 39 HE ARG 39 5.252 -4.303 -11.858 259 HH11 ARG 39 1HH1 ARG 39 8.532 -3.045 -11.948 260 HH12 ARG 39 2HH1 ARG 39 9.162 -4.426 -12.783 261 HH21 ARG 39 1HH2 ARG 39 6.070 -6.060 -12.938 262 HH22 ARG 39 2HH2 ARG 39 7.749 -6.157 -13.353 263 H THR 40 H THR 40 6.250 -3.741 -4.758 264 HA THR 40 HA THR 40 3.537 -4.841 -4.716 265 HB THR 40 HB THR 40 6.021 -6.175 -3.514 266 HG1 THR 40 HG1 THR 40 4.350 -6.727 -5.821 267 HG21 THR 40 3HG2 THR 40 3.090 -7.042 -3.591 268 HG22 THR 40 1HG2 THR 40 4.459 -8.014 -2.954 269 HG23 THR 40 2HG2 THR 40 3.992 -6.481 -2.143 270 H VAL 41 H VAL 41 2.369 -4.294 -2.854 271 HA VAL 41 HA VAL 41 3.932 -2.969 -0.746 272 HB VAL 41 HB VAL 41 1.011 -2.570 -1.573 273 HG11 VAL 41 1HG1 VAL 41 1.021 -0.729 0.084 274 HG12 VAL 41 2HG1 VAL 41 1.320 -2.323 0.855 275 HG13 VAL 41 3HG1 VAL 41 2.685 -1.189 0.578 276 HG21 VAL 41 3HG2 VAL 41 2.596 -1.583 -3.168 277 HG22 VAL 41 1HG2 VAL 41 1.753 -0.304 -2.230 278 HG23 VAL 41 2HG2 VAL 41 3.446 -0.746 -1.825 279 H VAL 42 H VAL 42 3.948 -3.964 1.249 280 HA VAL 42 HA VAL 42 1.882 -6.011 1.679 281 HB VAL 42 HB VAL 42 4.746 -5.842 2.747 282 HG11 VAL 42 1HG1 VAL 42 4.287 -8.060 3.744 283 HG12 VAL 42 2HG1 VAL 42 3.218 -6.786 4.424 284 HG13 VAL 42 3HG1 VAL 42 2.577 -7.942 3.207 285 HG21 VAL 42 3HG2 VAL 42 4.623 -6.514 0.386 286 HG22 VAL 42 1HG2 VAL 42 5.094 -7.903 1.422 287 HG23 VAL 42 2HG2 VAL 42 3.415 -7.779 0.796 288 H VAL 43 H VAL 43 0.561 -5.788 3.488 289 HA VAL 43 HA VAL 43 1.440 -3.810 5.478 290 HB VAL 43 HB VAL 43 -1.394 -4.669 4.690 291 HG11 VAL 43 1HG1 VAL 43 -2.134 -2.906 6.260 292 HG12 VAL 43 2HG1 VAL 43 -1.217 -4.204 7.096 293 HG13 VAL 43 3HG1 VAL 43 -0.428 -2.629 6.746 294 HG21 VAL 43 3HG2 VAL 43 -0.334 -3.204 3.026 295 HG22 VAL 43 1HG2 VAL 43 -1.626 -2.331 3.916 296 HG23 VAL 43 2HG2 VAL 43 0.099 -2.032 4.315 297 H GLY 44 H GLY 44 2.101 -4.766 7.388 298 HA2 GLY 44 2HA GLY 44 1.546 -7.581 7.739 299 HA3 GLY 44 3HA GLY 44 2.608 -6.549 8.706 300 H GLY 45 H GLY 45 0.804 -8.479 9.878 301 HA2 GLY 45 2HA GLY 45 -0.396 -8.417 11.809 302 HA3 GLY 45 3HA GLY 45 -0.587 -6.666 11.646 303 H VAL 46 H VAL 46 -2.666 -5.968 11.271 304 HA VAL 46 HA VAL 46 -4.274 -7.503 9.409 305 HB VAL 46 HB VAL 46 -4.864 -8.451 11.623 306 HG11 VAL 46 1HG1 VAL 46 -5.944 -7.024 13.336 307 HG12 VAL 46 2HG1 VAL 46 -4.245 -6.528 13.027 308 HG13 VAL 46 3HG1 VAL 46 -5.600 -5.572 12.336 309 HG21 VAL 46 3HG2 VAL 46 -6.605 -8.262 9.900 310 HG22 VAL 46 1HG2 VAL 46 -7.300 -8.023 11.539 311 HG23 VAL 46 2HG2 VAL 46 -7.009 -6.608 10.471 312 H SER 47 H SER 47 -5.735 -6.182 8.233 313 HA SER 47 HA SER 47 -6.398 -3.551 9.196 314 HB2 SER 47 2HB SER 47 -4.141 -3.130 8.321 315 HB3 SER 47 3HB SER 47 -4.551 -3.925 6.795 316 HG SER 47 HG SER 47 -4.718 -1.435 7.116 317 H ASP 48 H ASP 48 -8.297 -2.790 8.212 318 HA ASP 48 HA ASP 48 -9.833 -4.459 6.590 319 HB2 ASP 48 2HB ASP 48 -10.663 -2.539 7.958 320 HB3 ASP 48 3HB ASP 48 -9.866 -1.413 6.850 321 H ALA 49 H ALA 49 -9.304 -5.187 4.560 322 HA ALA 49 HA ALA 49 -7.282 -3.938 3.040 323 HB1 ALA 49 3HB ALA 49 -9.400 -6.013 2.289 324 HB2 ALA 49 1HB ALA 49 -7.937 -5.613 1.327 325 HB3 ALA 49 2HB ALA 49 -7.766 -6.352 2.954 326 H ALA 50 H ALA 50 -10.848 -3.584 3.106 327 HA ALA 50 HA ALA 50 -11.154 -2.457 0.558 328 HB1 ALA 50 3HB ALA 50 -12.692 -1.986 3.160 329 HB2 ALA 50 1HB ALA 50 -13.254 -1.537 1.514 330 HB3 ALA 50 2HB ALA 50 -13.023 -3.266 1.944 331 H HIS 51 H HIS 51 -10.283 -0.966 3.756 332 HA HIS 51 HA HIS 51 -10.408 1.690 2.788 333 HB2 HIS 51 2HB HIS 51 -10.523 1.077 5.187 334 HB3 HIS 51 3HB HIS 51 -8.873 0.446 5.122 335 HD2 HIS 51 HD2 HIS 51 -6.994 2.300 5.841 336 HE1 HIS 51 HE1 HIS 51 -9.340 5.815 5.151 337 H ILE 52 H ILE 52 -7.728 -0.760 3.048 338 HA ILE 52 HA ILE 52 -5.691 0.963 2.239 339 HB ILE 52 HB ILE 52 -6.083 -2.057 1.989 340 HG12 ILE 52 2HG1 ILE 52 -4.220 -0.414 3.766 341 HG13 ILE 52 3HG1 ILE 52 -5.837 -0.929 4.264 342 HG21 ILE 52 1HG2 ILE 52 -3.674 -2.199 1.455 343 HG22 ILE 52 2HG2 ILE 52 -4.588 -1.319 0.185 344 HG23 ILE 52 3HG2 ILE 52 -3.591 -0.407 1.368 345 HD11 ILE 52 3HD1 ILE 52 -3.545 -2.780 3.462 346 HD12 ILE 52 1HD1 ILE 52 -4.117 -2.451 5.132 347 HD13 ILE 52 2HD1 ILE 52 -5.187 -3.302 3.968 348 H ALA 53 H ALA 53 -8.046 -1.058 0.346 349 HA ALA 53 HA ALA 53 -6.742 -0.762 -2.128 350 HB1 ALA 53 3HB ALA 53 -9.682 -1.241 -1.437 351 HB2 ALA 53 1HB ALA 53 -8.933 -1.481 -3.051 352 HB3 ALA 53 2HB ALA 53 -8.422 -2.501 -1.663 353 H GLU 54 H GLU 54 -9.283 1.229 -0.458 354 HA GLU 54 HA GLU 54 -9.704 2.993 -2.606 355 HB2 GLU 54 2HB GLU 54 -9.948 3.270 0.422 356 HB3 GLU 54 3HB GLU 54 -10.405 4.560 -0.697 357 HG2 GLU 54 2HG GLU 54 -12.104 3.114 -1.740 358 HG3 GLU 54 3HG GLU 54 -11.596 1.744 -0.744 359 H ILE 55 H ILE 55 -7.184 2.863 -0.014 360 HA ILE 55 HA ILE 55 -6.244 5.475 -0.456 361 HB ILE 55 HB ILE 55 -5.023 2.967 0.777 362 HG12 ILE 55 2HG1 ILE 55 -5.850 5.627 2.024 363 HG13 ILE 55 3HG1 ILE 55 -6.927 4.230 1.903 364 HG21 ILE 55 1HG2 ILE 55 -3.178 4.396 1.595 365 HG22 ILE 55 2HG2 ILE 55 -3.194 4.284 -0.198 366 HG23 ILE 55 3HG2 ILE 55 -3.809 5.763 0.616 367 HD11 ILE 55 3HD1 ILE 55 -4.258 4.300 3.382 368 HD12 ILE 55 1HD1 ILE 55 -5.893 4.359 4.124 369 HD13 ILE 55 2HD1 ILE 55 -5.352 2.881 3.259 370 H ILE 56 H ILE 56 -5.196 2.218 -1.735 371 HA ILE 56 HA ILE 56 -2.948 3.224 -3.075 372 HB ILE 56 HB ILE 56 -4.657 0.721 -3.455 373 HG12 ILE 56 2HG1 ILE 56 -1.835 1.073 -2.345 374 HG13 ILE 56 3HG1 ILE 56 -3.288 1.063 -1.336 375 HG21 ILE 56 1HG2 ILE 56 -2.825 -0.151 -4.869 376 HG22 ILE 56 2HG2 ILE 56 -3.608 1.290 -5.602 377 HG23 ILE 56 3HG2 ILE 56 -2.011 1.448 -4.794 378 HD11 ILE 56 3HD1 ILE 56 -2.353 -1.217 -3.136 379 HD12 ILE 56 1HD1 ILE 56 -2.205 -1.138 -1.348 380 HD13 ILE 56 2HD1 ILE 56 -3.828 -1.226 -2.112 381 H THR 57 H THR 57 -6.374 2.585 -4.169 382 HA THR 57 HA THR 57 -5.960 3.360 -6.819 383 HB THR 57 HB THR 57 -8.450 3.535 -5.044 384 HG1 THR 57 HG1 THR 57 -7.906 1.384 -5.257 385 HG21 THR 57 3HG2 THR 57 -8.164 3.650 -8.088 386 HG22 THR 57 1HG2 THR 57 -9.711 3.581 -7.178 387 HG23 THR 57 2HG2 THR 57 -8.637 5.011 -7.015 388 H ALA 58 H ALA 58 -6.743 5.259 -3.823 389 HA ALA 58 HA ALA 58 -7.294 7.680 -5.139 390 HB1 ALA 58 3HB ALA 58 -6.168 7.108 -2.355 391 HB2 ALA 58 1HB ALA 58 -6.856 8.673 -2.906 392 HB3 ALA 58 2HB ALA 58 -7.905 7.219 -2.800 393 H ALA 59 H ALA 59 -4.197 6.131 -4.110 394 HA ALA 59 HA ALA 59 -2.632 8.436 -4.760 395 HB1 ALA 59 3HB ALA 59 -1.918 5.479 -4.450 396 HB2 ALA 59 1HB ALA 59 -0.746 6.835 -4.561 397 HB3 ALA 59 2HB ALA 59 -1.866 6.729 -3.161 398 H GLY 60 H GLY 60 -4.306 6.041 -6.681 399 HA2 GLY 60 2HA GLY 60 -4.642 6.364 -8.921 400 HA3 GLY 60 3HA GLY 60 -3.236 7.435 -8.994 401 H TYR 61 H TYR 61 -2.743 4.347 -7.344 402 HA TYR 61 HA TYR 61 -1.359 3.379 -9.765 403 HB2 TYR 61 2HB TYR 61 -0.619 2.943 -6.830 404 HB3 TYR 61 3HB TYR 61 0.263 2.331 -8.235 405 HD1 TYR 61 HD1 TYR 61 1.012 4.223 -9.982 406 HD2 TYR 61 HD2 TYR 61 0.118 4.923 -5.843 407 HE1 TYR 61 HE1 TYR 61 2.364 6.296 -10.044 408 HE2 TYR 61 HE2 TYR 61 1.464 7.000 -5.898 409 HH TYR 61 HH TYR 61 3.284 7.985 -7.172 410 H THR 62 H THR 62 -3.486 2.296 -10.307 411 HA THR 62 HA THR 62 -3.734 -0.168 -8.735 412 HB THR 62 HB THR 62 -5.860 -0.509 -9.970 413 HG1 THR 62 HG1 THR 62 -6.632 1.287 -11.303 414 HG21 THR 62 3HG2 THR 62 -5.613 2.266 -8.709 415 HG22 THR 62 1HG2 THR 62 -7.141 1.355 -8.960 416 HG23 THR 62 2HG2 THR 62 -5.893 0.723 -7.833 417 HA PRO 63 HA PRO 63 -1.718 -2.359 -11.953 418 HB2 PRO 63 2HB PRO 63 -2.760 -4.906 -11.517 419 HB3 PRO 63 3HB PRO 63 -1.675 -4.163 -10.335 420 HG2 PRO 63 2HG PRO 63 -4.705 -4.303 -10.322 421 HG3 PRO 63 3HG PRO 63 -3.573 -4.601 -8.997 422 HD2 PRO 63 2HD PRO 63 -4.889 -2.220 -9.231 423 HD3 PRO 63 3HD PRO 63 -3.249 -2.299 -8.574 424 H GLU 64 H GLU 64 -1.923 -3.734 -13.909 425 HA GLU 64 HA GLU 64 -3.893 -2.691 -15.586 426 HB2 GLU 64 2HB GLU 64 -1.689 -3.619 -16.296 427 HB3 GLU 64 3HB GLU 64 -2.231 -5.243 -15.851 428 HG2 GLU 64 2HG GLU 64 -4.021 -5.135 -17.569 429 HG3 GLU 64 3HG GLU 64 -3.530 -3.490 -17.995 Start of MODEL 8 1 H ALA 1 1H ALA 1 3.584 -12.490 7.814 2 HA ALA 1 HA ALA 1 1.730 -12.876 6.395 3 HB1 ALA 1 3HB ALA 1 1.217 -13.360 9.371 4 HB2 ALA 1 1HB ALA 1 0.398 -14.205 8.016 5 HB3 ALA 1 2HB ALA 1 2.163 -14.415 8.269 6 H GLY 2 H GLY 2 1.132 -10.487 5.824 7 HA2 GLY 2 2HA GLY 2 -1.432 -9.892 7.182 8 HA3 GLY 2 3HA GLY 2 -0.286 -8.642 6.679 9 H LEU 3 H LEU 3 -1.351 -7.546 5.028 10 HA LEU 3 HA LEU 3 -2.631 -9.171 2.943 11 HB2 LEU 3 2HB LEU 3 -2.676 -6.172 3.534 12 HB3 LEU 3 3HB LEU 3 -3.550 -6.962 2.215 13 HG LEU 3 HG LEU 3 -4.009 -7.501 5.198 14 HD11 LEU 3 1HD1 LEU 3 -6.132 -6.293 4.840 15 HD12 LEU 3 2HD1 LEU 3 -4.713 -5.240 4.519 16 HD13 LEU 3 3HD1 LEU 3 -5.645 -5.933 3.150 17 HD21 LEU 3 3HD2 LEU 3 -4.467 -9.452 3.754 18 HD22 LEU 3 1HD2 LEU 3 -5.990 -8.744 4.389 19 HD23 LEU 3 2HD2 LEU 3 -5.494 -8.431 2.691 20 H SER 4 H SER 4 -2.003 -9.065 0.744 21 HA SER 4 HA SER 4 0.459 -7.513 0.234 22 HB2 SER 4 2HB SER 4 0.967 -9.910 0.404 23 HB3 SER 4 3HB SER 4 -0.329 -10.298 -0.734 24 HG SER 4 HG SER 4 1.751 -10.233 -1.750 25 H PHE 5 H PHE 5 0.310 -6.076 -1.441 26 HA PHE 5 HA PHE 5 -1.740 -6.647 -3.486 27 HB2 PHE 5 2HB PHE 5 -0.893 -3.939 -2.346 28 HB3 PHE 5 3HB PHE 5 -1.981 -4.171 -3.721 29 HD1 PHE 5 HD1 PHE 5 -4.256 -5.045 -3.398 30 HD2 PHE 5 HD2 PHE 5 -1.624 -4.393 -0.065 31 HE1 PHE 5 HE1 PHE 5 -6.180 -5.189 -1.849 32 HE2 PHE 5 HE2 PHE 5 -3.549 -4.546 1.483 33 HZ PHE 5 HZ PHE 5 -5.831 -4.942 0.594 34 H HIS 6 H HIS 6 -1.119 -6.306 -5.659 35 HA HIS 6 HA HIS 6 1.705 -5.546 -6.029 36 HB2 HIS 6 2HB HIS 6 1.448 -8.028 -6.074 37 HB3 HIS 6 3HB HIS 6 0.219 -7.879 -7.337 38 HD2 HIS 6 HD2 HIS 6 1.245 -7.975 -9.877 39 HE1 HIS 6 HE1 HIS 6 5.320 -7.108 -8.888 40 H VAL 7 H VAL 7 1.975 -3.959 -7.558 41 HA VAL 7 HA VAL 7 -0.256 -3.573 -9.427 42 HB VAL 7 HB VAL 7 1.266 -1.413 -7.881 43 HG11 VAL 7 1HG1 VAL 7 -0.296 0.162 -8.980 44 HG12 VAL 7 2HG1 VAL 7 0.730 -0.704 -10.173 45 HG13 VAL 7 3HG1 VAL 7 -0.982 -1.193 -9.938 46 HG21 VAL 7 3HG2 VAL 7 -0.384 -2.594 -6.494 47 HG22 VAL 7 1HG2 VAL 7 -0.938 -0.926 -6.863 48 HG23 VAL 7 2HG2 VAL 7 -1.647 -2.323 -7.742 49 H GLU 8 H GLU 8 0.487 -3.711 -11.526 50 HA GLU 8 HA GLU 8 3.318 -3.775 -11.978 51 HB2 GLU 8 2HB GLU 8 0.873 -3.968 -13.799 52 HB3 GLU 8 3HB GLU 8 2.538 -4.107 -14.380 53 HG2 GLU 8 2HG GLU 8 1.305 -5.934 -12.261 54 HG3 GLU 8 3HG GLU 8 1.365 -6.311 -13.988 55 H ASP 9 H ASP 9 0.665 -1.388 -12.432 56 HA ASP 9 HA ASP 9 2.311 0.136 -14.293 57 HB2 ASP 9 2HB ASP 9 -0.532 0.513 -13.236 58 HB3 ASP 9 3HB ASP 9 0.249 1.566 -14.424 59 H MET 10 H MET 10 2.470 -0.194 -11.036 60 HA MET 10 HA MET 10 2.083 2.474 -10.126 61 HB2 MET 10 2HB MET 10 1.964 0.481 -8.667 62 HB3 MET 10 3HB MET 10 3.662 0.114 -8.998 63 HG2 MET 10 2HG MET 10 4.346 2.239 -7.913 64 HG3 MET 10 3HG MET 10 2.651 2.640 -7.608 65 HE1 MET 10 3HE MET 10 1.115 0.368 -6.563 66 HE2 MET 10 1HE MET 10 1.546 0.216 -4.826 67 HE3 MET 10 2HE MET 10 1.310 1.841 -5.554 68 H THR 11 H THR 11 3.338 4.222 -10.707 69 HA THR 11 HA THR 11 6.028 4.027 -11.474 70 HB THR 11 HB THR 11 4.505 6.332 -10.149 71 HG1 THR 11 HG1 THR 11 4.306 7.035 -12.396 72 HG21 THR 11 3HG2 THR 11 7.098 6.306 -11.769 73 HG22 THR 11 1HG2 THR 11 6.237 7.769 -11.184 74 HG23 THR 11 2HG2 THR 11 6.951 6.617 -10.006 75 H CYS 12 H CYS 12 7.997 4.272 -10.262 76 HA CYS 12 HA CYS 12 7.654 3.308 -7.454 77 HB2 CYS 12 2HB CYS 12 9.821 3.233 -9.664 78 HB3 CYS 12 3HB CYS 12 9.965 2.430 -8.095 79 HG CYS 12 HG CYS 12 8.945 0.194 -8.952 80 H GLY 13 H GLY 13 8.474 4.394 -5.739 81 HA2 GLY 13 2HA GLY 13 9.967 5.820 -4.700 82 HA3 GLY 13 3HA GLY 13 10.436 6.497 -6.265 83 H HIS 14 H HIS 14 7.049 6.321 -6.337 84 HA HIS 14 HA HIS 14 6.767 8.969 -5.092 85 HB2 HIS 14 2HB HIS 14 5.842 8.163 -7.894 86 HB3 HIS 14 3HB HIS 14 5.402 9.666 -7.071 87 HD2 HIS 14 HD2 HIS 14 8.177 8.318 -9.343 88 HE1 HIS 14 HE1 HIS 14 9.649 11.962 -7.645 89 H CYS 15 H CYS 15 5.980 6.192 -4.204 90 HA CYS 15 HA CYS 15 3.048 6.542 -4.003 91 HB2 CYS 15 2HB CYS 15 2.810 4.290 -5.032 92 HB3 CYS 15 3HB CYS 15 3.682 5.320 -6.175 93 HG CYS 15 HG CYS 15 4.597 2.411 -5.356 94 H ALA 16 H ALA 16 6.118 4.861 -3.121 95 HA ALA 16 HA ALA 16 4.996 3.238 -1.135 96 HB1 ALA 16 3HB ALA 16 7.781 4.481 -1.372 97 HB2 ALA 16 1HB ALA 16 7.330 3.118 -0.294 98 HB3 ALA 16 2HB ALA 16 7.250 2.916 -2.076 99 H GLY 17 H GLY 17 6.384 6.615 -0.950 100 HA2 GLY 17 2HA GLY 17 6.102 6.854 1.836 101 HA3 GLY 17 3HA GLY 17 6.204 8.167 0.656 102 H VAL 18 H VAL 18 3.793 7.504 -0.903 103 HA VAL 18 HA VAL 18 1.971 8.910 0.731 104 HB VAL 18 HB VAL 18 1.682 7.494 -1.964 105 HG11 VAL 18 1HG1 VAL 18 -0.433 8.756 -2.219 106 HG12 VAL 18 2HG1 VAL 18 -0.507 7.599 -0.848 107 HG13 VAL 18 3HG1 VAL 18 -0.276 9.351 -0.532 108 HG21 VAL 18 3HG2 VAL 18 3.211 9.421 -1.952 109 HG22 VAL 18 1HG2 VAL 18 1.706 9.805 -2.855 110 HG23 VAL 18 2HG2 VAL 18 1.942 10.439 -1.191 111 H ILE 19 H ILE 19 2.094 5.460 -0.480 112 HA ILE 19 HA ILE 19 -0.426 4.807 0.568 113 HB ILE 19 HB ILE 19 1.997 3.126 -0.241 114 HG12 ILE 19 2HG1 ILE 19 -0.719 3.491 -1.586 115 HG13 ILE 19 3HG1 ILE 19 0.697 4.480 -1.968 116 HG21 ILE 19 1HG2 ILE 19 0.488 1.170 -0.184 117 HG22 ILE 19 2HG2 ILE 19 0.707 1.893 1.445 118 HG23 ILE 19 3HG2 ILE 19 -0.806 2.194 0.525 119 HD11 ILE 19 3HD1 ILE 19 0.510 1.448 -2.260 120 HD12 ILE 19 1HD1 ILE 19 0.430 2.656 -3.587 121 HD13 ILE 19 2HD1 ILE 19 1.948 2.452 -2.648 122 H LYS 20 H LYS 20 2.960 4.410 1.863 123 HA LYS 20 HA LYS 20 2.251 2.872 4.087 124 HB2 LYS 20 2HB LYS 20 4.555 3.149 3.229 125 HB3 LYS 20 3HB LYS 20 4.531 4.863 3.663 126 HG2 LYS 20 2HG LYS 20 4.279 4.237 6.075 127 HG3 LYS 20 3HG LYS 20 4.338 2.526 5.628 128 HD2 LYS 20 2HD LYS 20 6.610 2.925 4.580 129 HD3 LYS 20 3HD LYS 20 6.549 4.596 5.157 130 HE2 LYS 20 2HE LYS 20 6.322 2.142 6.978 131 HE3 LYS 20 3HE LYS 20 7.835 3.000 6.659 132 HZ1 LYS 20 3HZ LYS 20 5.470 3.973 8.089 133 HZ2 LYS 20 1HZ LYS 20 7.027 3.950 8.580 134 HZ3 LYS 20 2HZ LYS 20 6.541 5.030 7.456 135 H GLY 21 H GLY 21 2.729 6.502 3.789 136 HA2 GLY 21 2HA GLY 21 2.169 7.028 6.488 137 HA3 GLY 21 3HA GLY 21 2.074 8.167 5.139 138 H ALA 22 H ALA 22 -0.007 6.768 3.579 139 HA ALA 22 HA ALA 22 -2.203 8.026 4.821 140 HB1 ALA 22 3HB ALA 22 -2.052 6.012 2.524 141 HB2 ALA 22 1HB ALA 22 -3.475 7.028 2.935 142 HB3 ALA 22 2HB ALA 22 -1.951 7.800 2.381 143 H ILE 23 H ILE 23 -1.241 4.525 4.521 144 HA ILE 23 HA ILE 23 -3.657 3.638 5.719 145 HB ILE 23 HB ILE 23 -0.954 2.284 5.251 146 HG12 ILE 23 2HG1 ILE 23 -3.620 1.904 3.815 147 HG13 ILE 23 3HG1 ILE 23 -2.377 3.037 3.265 148 HG21 ILE 23 1HG2 ILE 23 -2.140 0.157 5.683 149 HG22 ILE 23 2HG2 ILE 23 -2.119 1.218 7.132 150 HG23 ILE 23 3HG2 ILE 23 -3.612 1.077 6.144 151 HD11 ILE 23 3HD1 ILE 23 -2.026 0.022 3.583 152 HD12 ILE 23 1HD1 ILE 23 -2.244 0.915 2.040 153 HD13 ILE 23 2HD1 ILE 23 -0.764 1.172 3.025 154 H GLU 24 H GLU 24 -0.223 4.051 6.915 155 HA GLU 24 HA GLU 24 -0.761 2.880 9.426 156 HB2 GLU 24 2HB GLU 24 1.425 4.720 8.363 157 HB3 GLU 24 3HB GLU 24 1.417 4.124 10.028 158 HG2 GLU 24 2HG GLU 24 1.517 1.788 9.231 159 HG3 GLU 24 3HG GLU 24 1.413 2.329 7.550 160 H LYS 25 H LYS 25 -1.113 6.218 8.149 161 HA LYS 25 HA LYS 25 -1.275 7.534 10.624 162 HB2 LYS 25 2HB LYS 25 -0.986 8.661 8.440 163 HB3 LYS 25 3HB LYS 25 -2.592 8.125 7.930 164 HG2 LYS 25 2HG LYS 25 -3.645 9.487 9.705 165 HG3 LYS 25 3HG LYS 25 -2.056 9.968 10.311 166 HD2 LYS 25 2HD LYS 25 -1.538 11.053 8.122 167 HD3 LYS 25 3HD LYS 25 -3.113 10.551 7.493 168 HE2 LYS 25 2HE LYS 25 -4.248 11.874 9.296 169 HE3 LYS 25 3HE LYS 25 -2.669 12.386 9.908 170 HZ1 LYS 25 3HZ LYS 25 -3.719 12.969 7.213 171 HZ2 LYS 25 1HZ LYS 25 -3.629 14.027 8.453 172 HZ3 LYS 25 2HZ LYS 25 -2.262 13.441 7.777 173 H THR 26 H THR 26 -3.725 5.706 8.678 174 HA THR 26 HA THR 26 -5.770 6.564 10.570 175 HB THR 26 HB THR 26 -7.353 5.522 8.966 176 HG1 THR 26 HG1 THR 26 -6.481 4.693 6.949 177 HG21 THR 26 3HG2 THR 26 -5.291 7.340 7.627 178 HG22 THR 26 1HG2 THR 26 -6.971 7.055 7.058 179 HG23 THR 26 2HG2 THR 26 -6.682 7.872 8.632 180 H VAL 27 H VAL 27 -3.642 3.856 9.885 181 HA VAL 27 HA VAL 27 -5.254 2.252 11.747 182 HB VAL 27 HB VAL 27 -3.517 1.237 9.438 183 HG11 VAL 27 1HG1 VAL 27 -4.466 -0.975 10.025 184 HG12 VAL 27 2HG1 VAL 27 -3.524 -0.271 11.382 185 HG13 VAL 27 3HG1 VAL 27 -5.319 -0.233 11.421 186 HG21 VAL 27 3HG2 VAL 27 -5.592 2.276 8.628 187 HG22 VAL 27 1HG2 VAL 27 -5.655 0.491 8.439 188 HG23 VAL 27 2HG2 VAL 27 -6.552 1.285 9.777 189 HA PRO 28 HA PRO 28 -1.190 3.036 13.697 190 HB2 PRO 28 2HB PRO 28 -2.161 2.854 16.300 191 HB3 PRO 28 3HB PRO 28 -2.332 4.340 15.357 192 HG2 PRO 28 2HG PRO 28 -4.356 2.117 15.796 193 HG3 PRO 28 3HG PRO 28 -4.595 3.867 15.882 194 HD2 PRO 28 2HD PRO 28 -5.319 2.481 13.660 195 HD3 PRO 28 3HD PRO 28 -4.651 4.113 13.520 196 H GLY 29 H GLY 29 0.391 1.724 14.542 197 HA2 GLY 29 2HA GLY 29 1.170 -0.143 15.642 198 HA3 GLY 29 3HA GLY 29 -0.449 -0.853 15.621 199 H ALA 30 H ALA 30 -1.278 -1.179 13.104 200 HA ALA 30 HA ALA 30 0.300 -3.169 12.000 201 HB1 ALA 30 3HB ALA 30 -1.759 -1.332 10.683 202 HB2 ALA 30 1HB ALA 30 -1.158 -2.885 10.011 203 HB3 ALA 30 2HB ALA 30 -2.100 -2.874 11.540 204 H ALA 31 H ALA 31 2.039 -3.240 10.605 205 HA ALA 31 HA ALA 31 3.169 -0.612 9.944 206 HB1 ALA 31 3HB ALA 31 4.398 -3.409 10.084 207 HB2 ALA 31 1HB ALA 31 5.282 -1.893 9.702 208 HB3 ALA 31 2HB ALA 31 4.545 -2.118 11.324 209 H VAL 32 H VAL 32 3.326 0.099 7.850 210 HA VAL 32 HA VAL 32 2.569 -1.847 5.790 211 HB VAL 32 HB VAL 32 2.556 1.220 5.787 212 HG11 VAL 32 1HG1 VAL 32 1.406 1.009 3.611 213 HG12 VAL 32 2HG1 VAL 32 3.064 0.320 3.561 214 HG13 VAL 32 3HG1 VAL 32 1.641 -0.771 3.662 215 HG21 VAL 32 3HG2 VAL 32 0.801 0.248 7.199 216 HG22 VAL 32 1HG2 VAL 32 0.100 0.968 5.710 217 HG23 VAL 32 2HG2 VAL 32 0.282 -0.814 5.847 218 H HIS 33 H HIS 33 4.113 -2.534 4.333 219 HA HIS 33 HA HIS 33 6.512 -0.839 4.060 220 HB2 HIS 33 2HB HIS 33 6.341 -3.893 4.013 221 HB3 HIS 33 3HB HIS 33 7.801 -2.932 3.743 222 HD2 HIS 33 HD2 HIS 33 5.702 -4.350 6.686 223 HE1 HIS 33 HE1 HIS 33 8.808 -1.923 8.356 224 H ALA 34 H ALA 34 6.265 0.144 2.065 225 HA ALA 34 HA ALA 34 5.231 -1.516 -0.125 226 HB1 ALA 34 3HB ALA 34 5.736 1.492 0.119 227 HB2 ALA 34 1HB ALA 34 5.043 0.658 -1.313 228 HB3 ALA 34 2HB ALA 34 4.146 0.666 0.243 229 H ASP 35 H ASP 35 6.597 -2.379 -1.635 230 HA ASP 35 HA ASP 35 9.232 -1.076 -1.920 231 HB2 ASP 35 2HB ASP 35 9.343 -3.339 -0.880 232 HB3 ASP 35 3HB ASP 35 8.475 -4.017 -2.263 233 HA PRO 36 HA PRO 36 7.231 -0.536 -5.980 234 HB2 PRO 36 2HB PRO 36 8.728 1.696 -6.657 235 HB3 PRO 36 3HB PRO 36 7.329 1.836 -5.585 236 HG2 PRO 36 2HG PRO 36 10.274 1.644 -4.862 237 HG3 PRO 36 3HG PRO 36 9.046 2.746 -4.226 238 HD2 PRO 36 2HD PRO 36 9.775 0.513 -2.846 239 HD3 PRO 36 3HD PRO 36 8.108 1.100 -2.805 240 H ALA 37 H ALA 37 10.628 -0.999 -5.072 241 HA ALA 37 HA ALA 37 11.607 -1.416 -7.669 242 HB1 ALA 37 3HB ALA 37 12.375 -2.689 -4.997 243 HB2 ALA 37 1HB ALA 37 13.358 -2.732 -6.499 244 HB3 ALA 37 2HB ALA 37 13.037 -1.166 -5.680 245 H SER 38 H SER 38 9.799 -3.581 -5.393 246 HA SER 38 HA SER 38 9.832 -5.658 -7.468 247 HB2 SER 38 2HB SER 38 8.925 -7.091 -5.756 248 HB3 SER 38 3HB SER 38 10.316 -6.233 -5.079 249 HG SER 38 HG SER 38 8.340 -4.633 -4.524 250 H ARG 39 H ARG 39 8.009 -2.890 -6.598 251 HA ARG 39 HA ARG 39 6.025 -2.146 -7.201 252 HB2 ARG 39 2HB ARG 39 5.958 -4.550 -9.044 253 HB3 ARG 39 3HB ARG 39 4.783 -3.228 -9.049 254 HG2 ARG 39 2HG ARG 39 6.837 -1.667 -9.399 255 HG3 ARG 39 3HG ARG 39 7.723 -3.145 -9.794 256 HD2 ARG 39 2HD ARG 39 5.220 -2.154 -11.173 257 HD3 ARG 39 3HD ARG 39 6.876 -1.962 -11.764 258 HE ARG 39 HE ARG 39 5.227 -4.343 -11.902 259 HH11 ARG 39 1HH1 ARG 39 8.521 -3.121 -12.011 260 HH12 ARG 39 2HH1 ARG 39 9.129 -4.509 -12.850 261 HH21 ARG 39 1HH2 ARG 39 6.020 -6.110 -12.987 262 HH22 ARG 39 2HH2 ARG 39 7.695 -6.224 -13.412 263 H THR 40 H THR 40 6.265 -3.808 -4.809 264 HA THR 40 HA THR 40 3.545 -4.891 -4.759 265 HB THR 40 HB THR 40 6.024 -6.252 -3.582 266 HG1 THR 40 HG1 THR 40 4.345 -6.755 -5.893 267 HG21 THR 40 3HG2 THR 40 3.085 -7.094 -3.647 268 HG22 THR 40 1HG2 THR 40 4.449 -8.082 -3.026 269 HG23 THR 40 2HG2 THR 40 4.001 -6.552 -2.200 270 H VAL 41 H VAL 41 2.393 -4.350 -2.882 271 HA VAL 41 HA VAL 41 3.983 -3.057 -0.773 272 HB VAL 41 HB VAL 41 1.058 -2.624 -1.572 273 HG11 VAL 41 1HG1 VAL 41 1.105 -0.791 0.093 274 HG12 VAL 41 2HG1 VAL 41 1.397 -2.391 0.853 275 HG13 VAL 41 3HG1 VAL 41 2.770 -1.269 0.566 276 HG21 VAL 41 3HG2 VAL 41 2.635 -1.646 -3.180 277 HG22 VAL 41 1HG2 VAL 41 1.815 -0.363 -2.228 278 HG23 VAL 41 2HG2 VAL 41 3.508 -0.823 -1.843 279 H VAL 42 H VAL 42 4.009 -4.075 1.208 280 HA VAL 42 HA VAL 42 1.902 -6.078 1.656 281 HB VAL 42 HB VAL 42 4.788 -5.991 2.673 282 HG11 VAL 42 1HG1 VAL 42 4.284 -8.204 3.664 283 HG12 VAL 42 2HG1 VAL 42 3.261 -6.908 4.369 284 HG13 VAL 42 3HG1 VAL 42 2.570 -8.037 3.155 285 HG21 VAL 42 3HG2 VAL 42 4.607 -6.643 0.310 286 HG22 VAL 42 1HG2 VAL 42 5.060 -8.052 1.328 287 HG23 VAL 42 2HG2 VAL 42 3.375 -7.880 0.732 288 H VAL 43 H VAL 43 0.617 -5.832 3.483 289 HA VAL 43 HA VAL 43 1.554 -3.854 5.445 290 HB VAL 43 HB VAL 43 -1.305 -4.639 4.678 291 HG11 VAL 43 1HG1 VAL 43 -1.983 -2.821 6.215 292 HG12 VAL 43 2HG1 VAL 43 -1.103 -4.129 7.074 293 HG13 VAL 43 3HG1 VAL 43 -0.267 -2.587 6.689 294 HG21 VAL 43 3HG2 VAL 43 -0.211 -3.240 2.979 295 HG22 VAL 43 1HG2 VAL 43 -1.471 -2.309 3.859 296 HG23 VAL 43 2HG2 VAL 43 0.265 -2.055 4.243 297 H GLY 44 H GLY 44 2.167 -4.793 7.382 298 HA2 GLY 44 2HA GLY 44 1.568 -7.598 7.738 299 HA3 GLY 44 3HA GLY 44 2.649 -6.582 8.700 300 H GLY 45 H GLY 45 0.822 -8.474 9.889 301 HA2 GLY 45 2HA GLY 45 -0.357 -8.374 11.831 302 HA3 GLY 45 3HA GLY 45 -0.539 -6.625 11.645 303 H VAL 46 H VAL 46 -2.628 -5.934 11.307 304 HA VAL 46 HA VAL 46 -4.260 -7.489 9.475 305 HB VAL 46 HB VAL 46 -4.834 -8.392 11.713 306 HG11 VAL 46 1HG1 VAL 46 -5.874 -6.928 13.415 307 HG12 VAL 46 2HG1 VAL 46 -4.176 -6.454 13.073 308 HG13 VAL 46 3HG1 VAL 46 -5.531 -5.496 12.386 309 HG21 VAL 46 3HG2 VAL 46 -6.595 -8.212 10.006 310 HG22 VAL 46 1HG2 VAL 46 -7.267 -7.940 11.649 311 HG23 VAL 46 2HG2 VAL 46 -6.974 -6.545 10.556 312 H SER 47 H SER 47 -5.722 -6.182 8.286 313 HA SER 47 HA SER 47 -6.376 -3.536 9.212 314 HB2 SER 47 2HB SER 47 -4.124 -3.129 8.318 315 HB3 SER 47 3HB SER 47 -4.543 -3.946 6.807 316 HG SER 47 HG SER 47 -4.708 -1.452 7.092 317 H ASP 48 H ASP 48 -8.285 -2.797 8.236 318 HA ASP 48 HA ASP 48 -9.813 -4.484 6.620 319 HB2 ASP 48 2HB ASP 48 -10.656 -2.574 7.996 320 HB3 ASP 48 3HB ASP 48 -9.878 -1.439 6.885 321 H ALA 49 H ALA 49 -9.292 -5.199 4.585 322 HA ALA 49 HA ALA 49 -7.282 -3.938 3.064 323 HB1 ALA 49 3HB ALA 49 -9.404 -6.006 2.304 324 HB2 ALA 49 1HB ALA 49 -7.946 -5.599 1.339 325 HB3 ALA 49 2HB ALA 49 -7.768 -6.351 2.960 326 H ALA 50 H ALA 50 -10.841 -3.561 3.165 327 HA ALA 50 HA ALA 50 -11.169 -2.430 0.622 328 HB1 ALA 50 3HB ALA 50 -12.668 -1.947 3.244 329 HB2 ALA 50 1HB ALA 50 -13.248 -1.493 1.606 330 HB3 ALA 50 2HB ALA 50 -13.027 -3.223 2.032 331 H HIS 51 H HIS 51 -10.243 -0.947 3.807 332 HA HIS 51 HA HIS 51 -10.379 1.710 2.841 333 HB2 HIS 51 2HB HIS 51 -10.467 1.092 5.242 334 HB3 HIS 51 3HB HIS 51 -8.815 0.467 5.157 335 HD2 HIS 51 HD2 HIS 51 -6.942 2.325 5.875 336 HE1 HIS 51 HE1 HIS 51 -9.293 5.835 5.183 337 H ILE 52 H ILE 52 -7.695 -0.738 3.068 338 HA ILE 52 HA ILE 52 -5.672 0.995 2.235 339 HB ILE 52 HB ILE 52 -6.050 -2.026 2.012 340 HG12 ILE 52 2HG1 ILE 52 -4.181 -0.363 3.761 341 HG13 ILE 52 3HG1 ILE 52 -5.789 -0.889 4.276 342 HG21 ILE 52 1HG2 ILE 52 -3.644 -2.158 1.454 343 HG22 ILE 52 2HG2 ILE 52 -4.578 -1.293 0.187 344 HG23 ILE 52 3HG2 ILE 52 -3.574 -0.366 1.353 345 HD11 ILE 52 3HD1 ILE 52 -3.490 -2.722 3.460 346 HD12 ILE 52 1HD1 ILE 52 -4.049 -2.391 5.134 347 HD13 ILE 52 2HD1 ILE 52 -5.122 -3.257 3.983 348 H ALA 53 H ALA 53 -8.033 -1.045 0.377 349 HA ALA 53 HA ALA 53 -6.745 -0.769 -2.107 350 HB1 ALA 53 3HB ALA 53 -9.682 -1.244 -1.394 351 HB2 ALA 53 1HB ALA 53 -8.942 -1.500 -3.010 352 HB3 ALA 53 2HB ALA 53 -8.423 -2.505 -1.615 353 H GLU 54 H GLU 54 -9.284 1.233 -0.445 354 HA GLU 54 HA GLU 54 -9.714 2.980 -2.606 355 HB2 GLU 54 2HB GLU 54 -9.946 3.277 0.422 356 HB3 GLU 54 3HB GLU 54 -10.402 4.564 -0.702 357 HG2 GLU 54 2HG GLU 54 -12.111 3.123 -1.731 358 HG3 GLU 54 3HG GLU 54 -11.602 1.752 -0.737 359 H ILE 55 H ILE 55 -7.182 2.872 -0.025 360 HA ILE 55 HA ILE 55 -6.255 5.487 -0.486 361 HB ILE 55 HB ILE 55 -5.029 2.991 0.769 362 HG12 ILE 55 2HG1 ILE 55 -5.840 5.668 1.988 363 HG13 ILE 55 3HG1 ILE 55 -6.923 4.274 1.887 364 HG21 ILE 55 1HG2 ILE 55 -3.176 4.421 1.562 365 HG22 ILE 55 2HG2 ILE 55 -3.199 4.289 -0.229 366 HG23 ILE 55 3HG2 ILE 55 -3.804 5.780 0.569 367 HD11 ILE 55 3HD1 ILE 55 -4.248 4.350 3.353 368 HD12 ILE 55 1HD1 ILE 55 -5.879 4.424 4.101 369 HD13 ILE 55 2HD1 ILE 55 -5.348 2.934 3.250 370 H ILE 56 H ILE 56 -5.199 2.226 -1.748 371 HA ILE 56 HA ILE 56 -2.954 3.230 -3.092 372 HB ILE 56 HB ILE 56 -4.661 0.723 -3.465 373 HG12 ILE 56 2HG1 ILE 56 -1.840 1.078 -2.356 374 HG13 ILE 56 3HG1 ILE 56 -3.292 1.075 -1.347 375 HG21 ILE 56 1HG2 ILE 56 -2.827 -0.153 -4.874 376 HG22 ILE 56 2HG2 ILE 56 -3.609 1.285 -5.613 377 HG23 ILE 56 3HG2 ILE 56 -2.014 1.446 -4.804 378 HD11 ILE 56 3HD1 ILE 56 -2.360 -1.214 -3.138 379 HD12 ILE 56 1HD1 ILE 56 -2.212 -1.128 -1.350 380 HD13 ILE 56 2HD1 ILE 56 -3.835 -1.218 -2.114 381 H THR 57 H THR 57 -6.377 2.585 -4.186 382 HA THR 57 HA THR 57 -5.953 3.342 -6.842 383 HB THR 57 HB THR 57 -8.452 3.524 -5.079 384 HG1 THR 57 HG1 THR 57 -7.903 1.370 -5.274 385 HG21 THR 57 3HG2 THR 57 -8.155 3.618 -8.121 386 HG22 THR 57 1HG2 THR 57 -9.705 3.550 -7.216 387 HG23 THR 57 2HG2 THR 57 -8.636 4.985 -7.060 388 H ALA 58 H ALA 58 -6.749 5.257 -3.860 389 HA ALA 58 HA ALA 58 -7.311 7.668 -5.193 390 HB1 ALA 58 3HB ALA 58 -6.194 7.120 -2.401 391 HB2 ALA 58 1HB ALA 58 -6.888 8.677 -2.966 392 HB3 ALA 58 2HB ALA 58 -7.929 7.218 -2.855 393 H ALA 59 H ALA 59 -4.209 6.138 -4.146 394 HA ALA 59 HA ALA 59 -2.655 8.448 -4.799 395 HB1 ALA 59 3HB ALA 59 -1.926 5.496 -4.474 396 HB2 ALA 59 1HB ALA 59 -0.760 6.857 -4.586 397 HB3 ALA 59 2HB ALA 59 -1.885 6.750 -3.190 398 H GLY 60 H GLY 60 -4.315 6.051 -6.722 399 HA2 GLY 60 2HA GLY 60 -4.639 6.371 -8.964 400 HA3 GLY 60 3HA GLY 60 -3.233 7.443 -9.031 401 H TYR 61 H TYR 61 -2.736 4.364 -7.372 402 HA TYR 61 HA TYR 61 -1.347 3.387 -9.789 403 HB2 TYR 61 2HB TYR 61 -0.618 2.962 -6.851 404 HB3 TYR 61 3HB TYR 61 0.270 2.342 -8.249 405 HD1 TYR 61 HD1 TYR 61 1.033 4.224 -9.999 406 HD2 TYR 61 HD2 TYR 61 0.112 4.949 -5.871 407 HE1 TYR 61 HE1 TYR 61 2.387 6.295 -10.064 408 HE2 TYR 61 HE2 TYR 61 1.458 7.026 -5.929 409 HH TYR 61 HH TYR 61 3.261 8.019 -7.181 410 H THR 62 H THR 62 -3.462 2.297 -10.344 411 HA THR 62 HA THR 62 -3.697 -0.171 -8.774 412 HB THR 62 HB THR 62 -5.820 -0.524 -10.013 413 HG1 THR 62 HG1 THR 62 -6.607 1.266 -11.339 414 HG21 THR 62 3HG2 THR 62 -5.593 2.250 -8.744 415 HG22 THR 62 1HG2 THR 62 -7.114 1.330 -8.997 416 HG23 THR 62 2HG2 THR 62 -5.863 0.703 -7.871 417 HA PRO 63 HA PRO 63 -1.664 -2.342 -11.992 418 HB2 PRO 63 2HB PRO 63 -2.714 -4.893 -11.584 419 HB3 PRO 63 3HB PRO 63 -1.628 -4.162 -10.395 420 HG2 PRO 63 2HG PRO 63 -4.658 -4.294 -10.387 421 HG3 PRO 63 3HG PRO 63 -3.529 -4.604 -9.062 422 HD2 PRO 63 2HD PRO 63 -4.839 -2.220 -9.278 423 HD3 PRO 63 3HD PRO 63 -3.197 -2.305 -8.625 424 H GLU 64 H GLU 64 -1.851 -3.679 -13.967 425 HA GLU 64 HA GLU 64 -3.822 -2.632 -15.641 426 HB2 GLU 64 2HB GLU 64 -1.606 -3.524 -16.353 427 HB3 GLU 64 3HB GLU 64 -2.131 -5.160 -15.935 428 HG2 GLU 64 2HG GLU 64 -3.915 -5.048 -17.660 429 HG3 GLU 64 3HG GLU 64 -3.442 -3.391 -18.059 Start of MODEL 9 1 H ALA 1 1H ALA 1 3.511 -12.457 7.938 2 HA ALA 1 HA ALA 1 1.667 -12.841 6.508 3 HB1 ALA 1 3HB ALA 1 1.145 -13.365 9.475 4 HB2 ALA 1 1HB ALA 1 0.338 -14.201 8.105 5 HB3 ALA 1 2HB ALA 1 2.104 -14.400 8.364 6 H GLY 2 H GLY 2 1.049 -10.454 5.961 7 HA2 GLY 2 2HA GLY 2 -1.528 -9.898 7.312 8 HA3 GLY 2 3HA GLY 2 -0.392 -8.632 6.827 9 H LEU 3 H LEU 3 -1.375 -7.530 5.142 10 HA LEU 3 HA LEU 3 -2.612 -9.167 3.030 11 HB2 LEU 3 2HB LEU 3 -2.827 -6.185 3.680 12 HB3 LEU 3 3HB LEU 3 -3.656 -7.005 2.350 13 HG LEU 3 HG LEU 3 -4.084 -7.613 5.323 14 HD11 LEU 3 1HD1 LEU 3 -6.265 -6.508 4.990 15 HD12 LEU 3 2HD1 LEU 3 -4.902 -5.379 4.687 16 HD13 LEU 3 3HD1 LEU 3 -5.800 -6.093 3.305 17 HD21 LEU 3 3HD2 LEU 3 -4.445 -9.558 3.844 18 HD22 LEU 3 1HD2 LEU 3 -6.001 -8.939 4.493 19 HD23 LEU 3 2HD2 LEU 3 -5.523 -8.571 2.801 20 H SER 4 H SER 4 -1.983 -8.938 0.835 21 HA SER 4 HA SER 4 0.394 -7.242 0.398 22 HB2 SER 4 2HB SER 4 1.076 -9.597 0.596 23 HB3 SER 4 3HB SER 4 -0.146 -10.080 -0.587 24 HG SER 4 HG SER 4 1.957 -9.855 -1.528 25 H PHE 5 H PHE 5 0.234 -5.868 -1.336 26 HA PHE 5 HA PHE 5 -1.784 -6.556 -3.375 27 HB2 PHE 5 2HB PHE 5 -1.094 -3.801 -2.241 28 HB3 PHE 5 3HB PHE 5 -2.155 -4.095 -3.625 29 HD1 PHE 5 HD1 PHE 5 -4.384 -5.078 -3.321 30 HD2 PHE 5 HD2 PHE 5 -1.815 -4.309 0.035 31 HE1 PHE 5 HE1 PHE 5 -6.312 -5.326 -1.789 32 HE2 PHE 5 HE2 PHE 5 -3.743 -4.563 1.568 33 HZ PHE 5 HZ PHE 5 -5.994 -5.071 0.659 34 H HIS 6 H HIS 6 -1.158 -6.237 -5.546 35 HA HIS 6 HA HIS 6 1.639 -5.375 -5.893 36 HB2 HIS 6 2HB HIS 6 1.468 -7.863 -5.888 37 HB3 HIS 6 3HB HIS 6 0.245 -7.785 -7.163 38 HD2 HIS 6 HD2 HIS 6 1.301 -7.928 -9.689 39 HE1 HIS 6 HE1 HIS 6 5.328 -6.869 -8.697 40 H VAL 7 H VAL 7 1.879 -3.807 -7.448 41 HA VAL 7 HA VAL 7 -0.335 -3.539 -9.362 42 HB VAL 7 HB VAL 7 1.121 -1.301 -7.862 43 HG11 VAL 7 1HG1 VAL 7 -0.462 0.207 -9.026 44 HG12 VAL 7 2HG1 VAL 7 0.597 -0.671 -10.181 45 HG13 VAL 7 3HG1 VAL 7 -1.106 -1.191 -9.950 46 HG21 VAL 7 3HG2 VAL 7 -0.521 -2.478 -6.461 47 HG22 VAL 7 1HG2 VAL 7 -1.105 -0.833 -6.884 48 HG23 VAL 7 2HG2 VAL 7 -1.773 -2.269 -7.731 49 H GLU 8 H GLU 8 0.431 -3.717 -11.446 50 HA GLU 8 HA GLU 8 3.267 -3.728 -11.875 51 HB2 GLU 8 2HB GLU 8 0.837 -4.035 -13.698 52 HB3 GLU 8 3HB GLU 8 2.505 -4.128 -14.279 53 HG2 GLU 8 2HG GLU 8 1.320 -5.956 -12.131 54 HG3 GLU 8 3HG GLU 8 1.430 -6.366 -13.848 55 H ASP 9 H ASP 9 0.566 -1.412 -12.408 56 HA ASP 9 HA ASP 9 2.190 0.108 -14.288 57 HB2 ASP 9 2HB ASP 9 -0.655 0.460 -13.227 58 HB3 ASP 9 3HB ASP 9 0.105 1.507 -14.432 59 H MET 10 H MET 10 2.328 -0.164 -11.016 60 HA MET 10 HA MET 10 1.977 2.542 -10.185 61 HB2 MET 10 2HB MET 10 1.808 0.576 -8.678 62 HB3 MET 10 3HB MET 10 3.510 0.194 -8.968 63 HG2 MET 10 2HG MET 10 4.185 2.346 -7.931 64 HG3 MET 10 3HG MET 10 2.486 2.763 -7.668 65 HE1 MET 10 3HE MET 10 0.946 0.452 -6.609 66 HE2 MET 10 1HE MET 10 1.322 0.390 -4.854 67 HE3 MET 10 2HE MET 10 1.069 1.974 -5.663 68 H THR 11 H THR 11 3.284 4.252 -10.746 69 HA THR 11 HA THR 11 5.944 3.995 -11.564 70 HB THR 11 HB THR 11 4.528 6.320 -10.156 71 HG1 THR 11 HG1 THR 11 4.281 7.065 -12.385 72 HG21 THR 11 3HG2 THR 11 7.068 6.245 -11.859 73 HG22 THR 11 1HG2 THR 11 6.271 7.723 -11.222 74 HG23 THR 11 2HG2 THR 11 6.988 6.530 -10.088 75 H CYS 12 H CYS 12 7.951 4.128 -10.407 76 HA CYS 12 HA CYS 12 7.640 3.142 -7.603 77 HB2 CYS 12 2HB CYS 12 9.749 2.966 -9.863 78 HB3 CYS 12 3HB CYS 12 9.849 2.107 -8.320 79 HG CYS 12 HG CYS 12 8.347 0.057 -9.005 80 H GLY 13 H GLY 13 8.536 4.189 -5.909 81 HA2 GLY 13 2HA GLY 13 10.142 5.495 -4.888 82 HA3 GLY 13 3HA GLY 13 10.664 6.113 -6.460 83 H HIS 14 H HIS 14 7.286 6.252 -6.550 84 HA HIS 14 HA HIS 14 7.240 8.922 -5.321 85 HB2 HIS 14 2HB HIS 14 6.264 8.190 -8.126 86 HB3 HIS 14 3HB HIS 14 5.975 9.736 -7.318 87 HD2 HIS 14 HD2 HIS 14 8.601 8.101 -9.570 88 HE1 HIS 14 HE1 HIS 14 10.440 11.576 -7.879 89 H CYS 15 H CYS 15 6.186 6.219 -4.454 90 HA CYS 15 HA CYS 15 3.307 6.872 -4.240 91 HB2 CYS 15 2HB CYS 15 2.824 4.673 -5.284 92 HB3 CYS 15 3HB CYS 15 3.816 5.598 -6.419 93 HG CYS 15 HG CYS 15 4.392 2.599 -5.419 94 H ALA 16 H ALA 16 6.192 4.890 -3.369 95 HA ALA 16 HA ALA 16 4.905 3.329 -1.439 96 HB1 ALA 16 3HB ALA 16 7.794 4.315 -1.612 97 HB2 ALA 16 1HB ALA 16 7.205 2.969 -0.579 98 HB3 ALA 16 2HB ALA 16 7.128 2.827 -2.368 99 H GLY 17 H GLY 17 6.529 6.587 -1.171 100 HA2 GLY 17 2HA GLY 17 6.328 6.758 1.626 101 HA3 GLY 17 3HA GLY 17 6.489 8.097 0.483 102 H VAL 18 H VAL 18 4.011 7.668 -1.034 103 HA VAL 18 HA VAL 18 2.293 9.079 0.707 104 HB VAL 18 HB VAL 18 1.884 7.820 -2.051 105 HG11 VAL 18 1HG1 VAL 18 -0.170 9.196 -2.198 106 HG12 VAL 18 2HG1 VAL 18 -0.276 7.975 -0.885 107 HG13 VAL 18 3HG1 VAL 18 0.048 9.696 -0.487 108 HG21 VAL 18 3HG2 VAL 18 3.507 9.664 -1.975 109 HG22 VAL 18 1HG2 VAL 18 2.007 10.167 -2.826 110 HG23 VAL 18 2HG2 VAL 18 2.306 10.704 -1.138 111 H ILE 19 H ILE 19 2.240 5.687 -0.659 112 HA ILE 19 HA ILE 19 -0.302 5.121 0.415 113 HB ILE 19 HB ILE 19 1.988 3.364 -0.591 114 HG12 ILE 19 2HG1 ILE 19 -0.746 3.979 -1.804 115 HG13 ILE 19 3HG1 ILE 19 0.718 4.896 -2.181 116 HG21 ILE 19 1HG2 ILE 19 0.369 1.497 -0.603 117 HG22 ILE 19 2HG2 ILE 19 0.686 2.096 1.060 118 HG23 ILE 19 3HG2 ILE 19 -0.838 2.542 0.220 119 HD11 ILE 19 3HD1 ILE 19 0.317 1.908 -2.651 120 HD12 ILE 19 1HD1 ILE 19 0.271 3.201 -3.897 121 HD13 ILE 19 2HD1 ILE 19 1.804 2.839 -3.035 122 H LYS 20 H LYS 20 3.094 4.549 1.587 123 HA LYS 20 HA LYS 20 2.412 2.887 3.733 124 HB2 LYS 20 2HB LYS 20 4.698 3.166 2.852 125 HB3 LYS 20 3HB LYS 20 4.711 4.863 3.348 126 HG2 LYS 20 2HG LYS 20 4.522 4.165 5.739 127 HG3 LYS 20 3HG LYS 20 4.510 2.467 5.242 128 HD2 LYS 20 2HD LYS 20 6.765 2.713 4.236 129 HD3 LYS 20 3HD LYS 20 6.776 4.438 4.628 130 HE2 LYS 20 2HE LYS 20 6.567 3.861 7.071 131 HE3 LYS 20 3HE LYS 20 6.622 2.143 6.653 132 HZ1 LYS 20 3HZ LYS 20 8.762 4.098 6.099 133 HZ2 LYS 20 1HZ LYS 20 8.779 2.971 7.280 134 HZ3 LYS 20 2HZ LYS 20 8.813 2.512 5.714 135 H GLY 21 H GLY 21 2.894 6.523 3.614 136 HA2 GLY 21 2HA GLY 21 2.313 6.919 6.337 137 HA3 GLY 21 3HA GLY 21 2.233 8.118 5.041 138 H ALA 22 H ALA 22 0.185 6.740 3.397 139 HA ALA 22 HA ALA 22 -2.050 7.923 4.633 140 HB1 ALA 22 3HB ALA 22 -1.833 5.957 2.301 141 HB2 ALA 22 1HB ALA 22 -3.281 6.935 2.716 142 HB3 ALA 22 2HB ALA 22 -1.767 7.748 2.194 143 H ILE 23 H ILE 23 -1.018 4.447 4.276 144 HA ILE 23 HA ILE 23 -3.410 3.491 5.473 145 HB ILE 23 HB ILE 23 -0.679 2.192 4.996 146 HG12 ILE 23 2HG1 ILE 23 -3.316 1.819 3.509 147 HG13 ILE 23 3HG1 ILE 23 -2.071 2.967 3.002 148 HG21 ILE 23 1HG2 ILE 23 -1.845 0.043 5.365 149 HG22 ILE 23 2HG2 ILE 23 -1.862 1.073 6.836 150 HG23 ILE 23 3HG2 ILE 23 -3.336 0.935 5.820 151 HD11 ILE 23 3HD1 ILE 23 -1.709 -0.051 3.270 152 HD12 ILE 23 1HD1 ILE 23 -1.905 0.869 1.741 153 HD13 ILE 23 2HD1 ILE 23 -0.444 1.115 2.755 154 H GLU 24 H GLU 24 0.009 4.025 6.654 155 HA GLU 24 HA GLU 24 -0.366 2.895 9.176 156 HB2 GLU 24 2HB GLU 24 1.825 3.464 8.145 157 HB3 GLU 24 3HB GLU 24 1.451 5.186 8.285 158 HG2 GLU 24 2HG GLU 24 1.403 4.997 10.757 159 HG3 GLU 24 3HG GLU 24 1.711 3.259 10.646 160 H LYS 25 H LYS 25 -1.113 6.205 7.922 161 HA LYS 25 HA LYS 25 -1.388 7.441 10.420 162 HB2 LYS 25 2HB LYS 25 -1.179 8.621 8.246 163 HB3 LYS 25 3HB LYS 25 -2.757 8.001 7.744 164 HG2 LYS 25 2HG LYS 25 -3.866 9.264 9.558 165 HG3 LYS 25 3HG LYS 25 -2.300 9.830 10.153 166 HD2 LYS 25 2HD LYS 25 -1.879 10.981 7.977 167 HD3 LYS 25 3HD LYS 25 -3.431 10.399 7.362 168 HE2 LYS 25 2HE LYS 25 -4.613 11.619 9.204 169 HE3 LYS 25 3HE LYS 25 -3.058 12.210 9.805 170 HZ1 LYS 25 3HZ LYS 25 -4.179 12.784 7.136 171 HZ2 LYS 25 1HZ LYS 25 -4.131 13.821 8.396 172 HZ3 LYS 25 2HZ LYS 25 -2.743 13.329 7.690 173 H THR 26 H THR 26 -3.705 5.493 8.429 174 HA THR 26 HA THR 26 -5.806 6.164 10.335 175 HB THR 26 HB THR 26 -7.312 5.043 8.710 176 HG1 THR 26 HG1 THR 26 -6.260 4.470 6.594 177 HG21 THR 26 3HG2 THR 26 -5.387 7.034 7.413 178 HG22 THR 26 1HG2 THR 26 -7.042 6.642 6.838 179 HG23 THR 26 2HG2 THR 26 -6.810 7.443 8.428 180 H VAL 27 H VAL 27 -3.469 3.651 9.645 181 HA VAL 27 HA VAL 27 -5.017 1.842 11.371 182 HB VAL 27 HB VAL 27 -3.053 1.093 9.144 183 HG11 VAL 27 1HG1 VAL 27 -3.808 -1.222 9.594 184 HG12 VAL 27 2HG1 VAL 27 -3.022 -0.485 11.031 185 HG13 VAL 27 3HG1 VAL 27 -4.811 -0.625 10.959 186 HG21 VAL 27 3HG2 VAL 27 -5.168 1.959 8.241 187 HG22 VAL 27 1HG2 VAL 27 -5.043 0.185 7.987 188 HG23 VAL 27 2HG2 VAL 27 -6.092 0.834 9.293 189 HA PRO 28 HA PRO 28 -1.130 2.877 13.574 190 HB2 PRO 28 2HB PRO 28 -2.248 2.757 16.107 191 HB3 PRO 28 3HB PRO 28 -2.448 4.195 15.097 192 HG2 PRO 28 2HG PRO 28 -4.369 1.879 15.519 193 HG3 PRO 28 3HG PRO 28 -4.707 3.615 15.527 194 HD2 PRO 28 2HD PRO 28 -5.220 2.097 13.325 195 HD3 PRO 28 3HD PRO 28 -4.676 3.772 13.167 196 H GLY 29 H GLY 29 0.417 1.642 14.592 197 HA2 GLY 29 2HA GLY 29 1.185 -0.154 15.791 198 HA3 GLY 29 3HA GLY 29 -0.423 -0.890 15.750 199 H ALA 30 H ALA 30 -1.163 -1.519 13.322 200 HA ALA 30 HA ALA 30 0.521 -3.472 12.350 201 HB1 ALA 30 3HB ALA 30 -1.573 -1.797 10.879 202 HB2 ALA 30 1HB ALA 30 -0.899 -3.364 10.317 203 HB3 ALA 30 2HB ALA 30 -1.878 -3.295 11.821 204 H ALA 31 H ALA 31 2.239 -3.584 10.915 205 HA ALA 31 HA ALA 31 3.439 -0.980 10.353 206 HB1 ALA 31 3HB ALA 31 4.529 -3.835 10.241 207 HB2 ALA 31 1HB ALA 31 5.481 -2.338 9.963 208 HB3 ALA 31 2HB ALA 31 4.762 -2.658 11.577 209 H VAL 32 H VAL 32 3.553 -0.095 8.328 210 HA VAL 32 HA VAL 32 2.633 -1.818 6.144 211 HB VAL 32 HB VAL 32 2.799 1.231 6.350 212 HG11 VAL 32 1HG1 VAL 32 1.463 1.213 4.266 213 HG12 VAL 32 2HG1 VAL 32 3.063 0.428 4.043 214 HG13 VAL 32 3HG1 VAL 32 1.585 -0.578 4.210 215 HG21 VAL 32 3HG2 VAL 32 1.089 0.287 7.842 216 HG22 VAL 32 1HG2 VAL 32 0.327 1.132 6.452 217 HG23 VAL 32 2HG2 VAL 32 0.405 -0.662 6.478 218 H HIS 33 H HIS 33 4.136 -2.525 4.659 219 HA HIS 33 HA HIS 33 6.547 -0.856 4.329 220 HB2 HIS 33 2HB HIS 33 6.313 -3.904 4.169 221 HB3 HIS 33 3HB HIS 33 7.777 -2.960 3.862 222 HD2 HIS 33 HD2 HIS 33 5.824 -4.483 6.845 223 HE1 HIS 33 HE1 HIS 33 9.016 -2.135 8.460 224 H ALA 34 H ALA 34 6.183 0.219 2.395 225 HA ALA 34 HA ALA 34 5.122 -1.375 0.168 226 HB1 ALA 34 3HB ALA 34 5.546 1.632 0.521 227 HB2 ALA 34 1HB ALA 34 4.844 0.835 -0.927 228 HB3 ALA 34 2HB ALA 34 3.984 0.754 0.647 229 H ASP 35 H ASP 35 6.480 -2.144 -1.399 230 HA ASP 35 HA ASP 35 9.097 -0.800 -1.640 231 HB2 ASP 35 2HB ASP 35 9.230 -3.093 -0.660 232 HB3 ASP 35 3HB ASP 35 8.382 -3.742 -2.070 233 HA PRO 36 HA PRO 36 7.231 -0.170 -5.720 234 HB2 PRO 36 2HB PRO 36 8.898 1.961 -6.375 235 HB3 PRO 36 3HB PRO 36 7.518 2.201 -5.295 236 HG2 PRO 36 2HG PRO 36 10.440 1.786 -4.596 237 HG3 PRO 36 3HG PRO 36 9.293 2.954 -3.928 238 HD2 PRO 36 2HD PRO 36 9.907 0.634 -2.615 239 HD3 PRO 36 3HD PRO 36 8.301 1.366 -2.495 240 H ALA 37 H ALA 37 10.569 -0.885 -4.787 241 HA ALA 37 HA ALA 37 11.550 -1.287 -7.403 242 HB1 ALA 37 3HB ALA 37 12.263 -2.614 -4.742 243 HB2 ALA 37 1HB ALA 37 13.244 -2.684 -6.244 244 HB3 ALA 37 2HB ALA 37 12.988 -1.113 -5.411 245 H SER 38 H SER 38 9.676 -3.404 -5.132 246 HA SER 38 HA SER 38 9.656 -5.483 -7.205 247 HB2 SER 38 2HB SER 38 8.734 -6.897 -5.488 248 HB3 SER 38 3HB SER 38 10.143 -6.063 -4.819 249 HG SER 38 HG SER 38 8.192 -4.428 -4.260 250 H ARG 39 H ARG 39 7.885 -2.681 -6.328 251 HA ARG 39 HA ARG 39 5.921 -1.897 -6.949 252 HB2 ARG 39 2HB ARG 39 5.816 -4.308 -8.782 253 HB3 ARG 39 3HB ARG 39 4.670 -2.962 -8.802 254 HG2 ARG 39 2HG ARG 39 6.736 -1.438 -9.161 255 HG3 ARG 39 3HG ARG 39 7.626 -2.927 -9.502 256 HD2 ARG 39 2HD ARG 39 5.149 -1.976 -10.957 257 HD3 ARG 39 3HD ARG 39 6.816 -1.773 -11.514 258 HE ARG 39 HE ARG 39 5.199 -4.174 -11.653 259 HH11 ARG 39 1HH1 ARG 39 8.481 -2.924 -11.685 260 HH12 ARG 39 2HH1 ARG 39 9.127 -4.319 -12.483 261 HH21 ARG 39 1HH2 ARG 39 6.036 -5.949 -12.683 262 HH22 ARG 39 2HH2 ARG 39 7.724 -6.057 -13.057 263 H THR 40 H THR 40 6.079 -3.481 -4.531 264 HA THR 40 HA THR 40 3.373 -4.596 -4.515 265 HB THR 40 HB THR 40 5.843 -5.914 -3.265 266 HG1 THR 40 HG1 THR 40 4.222 -6.485 -5.603 267 HG21 THR 40 3HG2 THR 40 2.916 -6.792 -3.392 268 HG22 THR 40 1HG2 THR 40 4.276 -7.756 -2.723 269 HG23 THR 40 2HG2 THR 40 3.789 -6.219 -1.931 270 H VAL 41 H VAL 41 2.181 -4.043 -2.669 271 HA VAL 41 HA VAL 41 3.718 -2.718 -0.543 272 HB VAL 41 HB VAL 41 0.791 -2.369 -1.371 273 HG11 VAL 41 1HG1 VAL 41 0.758 -0.545 0.303 274 HG12 VAL 41 2HG1 VAL 41 1.087 -2.141 1.058 275 HG13 VAL 41 3HG1 VAL 41 2.430 -0.977 0.799 276 HG21 VAL 41 3HG2 VAL 41 2.365 -1.334 -2.950 277 HG22 VAL 41 1HG2 VAL 41 1.494 -0.081 -2.003 278 HG23 VAL 41 2HG2 VAL 41 3.193 -0.496 -1.594 279 H VAL 42 H VAL 42 3.769 -3.755 1.431 280 HA VAL 42 HA VAL 42 1.725 -5.825 1.849 281 HB VAL 42 HB VAL 42 4.623 -5.701 2.825 282 HG11 VAL 42 1HG1 VAL 42 4.187 -7.950 3.765 283 HG12 VAL 42 2HG1 VAL 42 3.148 -6.696 4.521 284 HG13 VAL 42 3HG1 VAL 42 2.461 -7.808 3.289 285 HG21 VAL 42 3HG2 VAL 42 4.420 -6.296 0.449 286 HG22 VAL 42 1HG2 VAL 42 4.919 -7.720 1.423 287 HG23 VAL 42 2HG2 VAL 42 3.221 -7.570 0.858 288 H VAL 43 H VAL 43 0.463 -5.658 3.705 289 HA VAL 43 HA VAL 43 1.447 -3.793 5.756 290 HB VAL 43 HB VAL 43 -1.431 -4.497 4.982 291 HG11 VAL 43 1HG1 VAL 43 -2.075 -2.801 6.667 292 HG12 VAL 43 2HG1 VAL 43 -1.197 -4.180 7.409 293 HG13 VAL 43 3HG1 VAL 43 -0.351 -2.619 7.136 294 HG21 VAL 43 3HG2 VAL 43 -0.343 -2.975 3.388 295 HG22 VAL 43 1HG2 VAL 43 -1.584 -2.107 4.353 296 HG23 VAL 43 2HG2 VAL 43 0.158 -1.900 4.737 297 H GLY 44 H GLY 44 2.070 -4.845 7.630 298 HA2 GLY 44 2HA GLY 44 1.464 -7.658 7.847 299 HA3 GLY 44 3HA GLY 44 2.529 -6.688 8.873 300 H GLY 45 H GLY 45 0.727 -8.633 9.971 301 HA2 GLY 45 2HA GLY 45 -0.518 -8.655 11.868 302 HA3 GLY 45 3HA GLY 45 -0.688 -6.896 11.787 303 H VAL 46 H VAL 46 -2.727 -6.115 11.327 304 HA VAL 46 HA VAL 46 -4.352 -7.630 9.458 305 HB VAL 46 HB VAL 46 -5.002 -8.516 11.685 306 HG11 VAL 46 1HG1 VAL 46 -6.056 -7.022 13.354 307 HG12 VAL 46 2HG1 VAL 46 -4.339 -6.586 13.056 308 HG13 VAL 46 3HG1 VAL 46 -5.655 -5.602 12.330 309 HG21 VAL 46 3HG2 VAL 46 -6.712 -8.307 9.931 310 HG22 VAL 46 1HG2 VAL 46 -7.422 -8.014 11.555 311 HG23 VAL 46 2HG2 VAL 46 -7.071 -6.630 10.465 312 H SER 47 H SER 47 -5.768 -6.289 8.244 313 HA SER 47 HA SER 47 -6.368 -3.626 9.171 314 HB2 SER 47 2HB SER 47 -4.114 -3.270 8.266 315 HB3 SER 47 3HB SER 47 -4.553 -4.093 6.763 316 HG SER 47 HG SER 47 -6.033 -1.824 7.705 317 H ASP 48 H ASP 48 -8.174 -2.728 8.056 318 HA ASP 48 HA ASP 48 -9.797 -4.436 6.531 319 HB2 ASP 48 2HB ASP 48 -10.559 -2.428 7.810 320 HB3 ASP 48 3HB ASP 48 -9.711 -1.383 6.664 321 H ALA 49 H ALA 49 -9.263 -5.277 4.547 322 HA ALA 49 HA ALA 49 -7.220 -4.158 2.962 323 HB1 ALA 49 3HB ALA 49 -9.422 -6.175 2.299 324 HB2 ALA 49 1HB ALA 49 -7.953 -5.866 1.314 325 HB3 ALA 49 2HB ALA 49 -7.798 -6.553 2.966 326 H ALA 50 H ALA 50 -10.794 -3.740 2.972 327 HA ALA 50 HA ALA 50 -11.011 -2.646 0.398 328 HB1 ALA 50 3HB ALA 50 -12.643 -2.154 2.936 329 HB2 ALA 50 1HB ALA 50 -13.143 -1.720 1.267 330 HB3 ALA 50 2HB ALA 50 -12.927 -3.444 1.719 331 H HIS 51 H HIS 51 -10.232 -1.134 3.607 332 HA HIS 51 HA HIS 51 -10.387 1.519 2.641 333 HB2 HIS 51 2HB HIS 51 -10.534 0.928 5.033 334 HB3 HIS 51 3HB HIS 51 -8.889 0.279 5.002 335 HD2 HIS 51 HD2 HIS 51 -7.003 2.111 5.756 336 HE1 HIS 51 HE1 HIS 51 -9.296 5.652 5.026 337 H ILE 52 H ILE 52 -7.653 -0.867 2.955 338 HA ILE 52 HA ILE 52 -5.655 0.915 2.159 339 HB ILE 52 HB ILE 52 -5.939 -2.119 1.958 340 HG12 ILE 52 2HG1 ILE 52 -4.172 -0.384 3.743 341 HG13 ILE 52 3HG1 ILE 52 -5.779 -0.950 4.217 342 HG21 ILE 52 1HG2 ILE 52 -3.517 -2.188 1.474 343 HG22 ILE 52 2HG2 ILE 52 -4.437 -1.363 0.171 344 HG23 ILE 52 3HG2 ILE 52 -3.494 -0.396 1.355 345 HD11 ILE 52 3HD1 ILE 52 -3.406 -2.727 3.490 346 HD12 ILE 52 1HD1 ILE 52 -4.024 -2.394 5.143 347 HD13 ILE 52 2HD1 ILE 52 -5.038 -3.302 3.971 348 H ALA 53 H ALA 53 -7.908 -1.210 0.263 349 HA ALA 53 HA ALA 53 -6.627 -0.864 -2.215 350 HB1 ALA 53 3HB ALA 53 -9.552 -1.409 -1.513 351 HB2 ALA 53 1HB ALA 53 -8.804 -1.623 -3.132 352 HB3 ALA 53 2HB ALA 53 -8.267 -2.640 -1.753 353 H GLU 54 H GLU 54 -9.187 1.071 -0.509 354 HA GLU 54 HA GLU 54 -9.648 2.842 -2.650 355 HB2 GLU 54 2HB GLU 54 -9.914 3.070 0.381 356 HB3 GLU 54 3HB GLU 54 -10.378 4.377 -0.716 357 HG2 GLU 54 2HG GLU 54 -12.053 2.933 -1.800 358 HG3 GLU 54 3HG GLU 54 -11.535 1.548 -0.830 359 H ILE 55 H ILE 55 -7.140 2.742 -0.044 360 HA ILE 55 HA ILE 55 -6.228 5.363 -0.460 361 HB ILE 55 HB ILE 55 -4.961 2.845 0.707 362 HG12 ILE 55 2HG1 ILE 55 -5.805 5.470 2.016 363 HG13 ILE 55 3HG1 ILE 55 -6.862 4.059 1.885 364 HG21 ILE 55 1HG2 ILE 55 -3.122 4.280 1.529 365 HG22 ILE 55 2HG2 ILE 55 -3.160 4.205 -0.265 366 HG23 ILE 55 3HG2 ILE 55 -3.782 5.659 0.586 367 HD11 ILE 55 3HD1 ILE 55 -4.173 4.145 3.325 368 HD12 ILE 55 1HD1 ILE 55 -5.796 4.165 4.093 369 HD13 ILE 55 2HD1 ILE 55 -5.246 2.711 3.193 370 H ILE 56 H ILE 56 -5.137 2.146 -1.804 371 HA ILE 56 HA ILE 56 -2.952 3.208 -3.192 372 HB ILE 56 HB ILE 56 -4.643 0.693 -3.582 373 HG12 ILE 56 2HG1 ILE 56 -1.791 1.046 -2.552 374 HG13 ILE 56 3HG1 ILE 56 -3.210 1.012 -1.496 375 HG21 ILE 56 1HG2 ILE 56 -2.844 -0.124 -5.068 376 HG22 ILE 56 2HG2 ILE 56 -3.664 1.325 -5.744 377 HG23 ILE 56 3HG2 ILE 56 -2.046 1.483 -4.980 378 HD11 ILE 56 3HD1 ILE 56 -2.327 -1.231 -3.368 379 HD12 ILE 56 1HD1 ILE 56 -2.121 -1.185 -1.584 380 HD13 ILE 56 2HD1 ILE 56 -3.768 -1.265 -2.296 381 H THR 57 H THR 57 -6.403 2.566 -4.195 382 HA THR 57 HA THR 57 -6.048 3.366 -6.853 383 HB THR 57 HB THR 57 -8.512 3.465 -5.033 384 HG1 THR 57 HG1 THR 57 -7.926 1.330 -5.275 385 HG21 THR 57 3HG2 THR 57 -8.283 3.615 -8.079 386 HG22 THR 57 1HG2 THR 57 -9.811 3.500 -7.143 387 HG23 THR 57 2HG2 THR 57 -8.768 4.954 -6.985 388 H ALA 58 H ALA 58 -6.818 5.214 -3.823 389 HA ALA 58 HA ALA 58 -7.464 7.633 -5.109 390 HB1 ALA 58 3HB ALA 58 -6.283 7.066 -2.347 391 HB2 ALA 58 1HB ALA 58 -7.025 8.614 -2.873 392 HB3 ALA 58 2HB ALA 58 -8.028 7.128 -2.766 393 H ALA 59 H ALA 59 -4.310 6.155 -4.155 394 HA ALA 59 HA ALA 59 -2.825 8.516 -4.799 395 HB1 ALA 59 3HB ALA 59 -2.017 5.577 -4.537 396 HB2 ALA 59 1HB ALA 59 -0.887 6.969 -4.651 397 HB3 ALA 59 2HB ALA 59 -1.980 6.812 -3.234 398 H GLY 60 H GLY 60 -4.433 6.056 -6.714 399 HA2 GLY 60 2HA GLY 60 -4.834 6.397 -8.943 400 HA3 GLY 60 3HA GLY 60 -3.479 7.530 -9.032 401 H TYR 61 H TYR 61 -2.828 4.439 -7.435 402 HA TYR 61 HA TYR 61 -1.460 3.561 -9.898 403 HB2 TYR 61 2HB TYR 61 -0.659 3.103 -6.983 404 HB3 TYR 61 3HB TYR 61 0.215 2.526 -8.408 405 HD1 TYR 61 HD1 TYR 61 1.048 4.356 -10.090 406 HD2 TYR 61 HD2 TYR 61 -0.116 5.189 -6.044 407 HE1 TYR 61 HE1 TYR 61 2.345 6.462 -10.155 408 HE2 TYR 61 HE2 TYR 61 1.174 7.302 -6.103 409 HH TYR 61 HH TYR 61 3.157 8.215 -7.369 410 H THR 62 H THR 62 -3.497 2.388 -10.473 411 HA THR 62 HA THR 62 -3.717 -0.068 -8.877 412 HB THR 62 HB THR 62 -5.889 -0.407 -10.035 413 HG1 THR 62 HG1 THR 62 -6.717 1.389 -11.327 414 HG21 THR 62 3HG2 THR 62 -5.599 2.364 -8.771 415 HG22 THR 62 1HG2 THR 62 -7.134 1.453 -8.968 416 HG23 THR 62 2HG2 THR 62 -5.844 0.818 -7.891 417 HA PRO 63 HA PRO 63 -1.828 -2.230 -12.188 418 HB2 PRO 63 2HB PRO 63 -2.811 -4.789 -11.706 419 HB3 PRO 63 3HB PRO 63 -1.698 -4.026 -10.563 420 HG2 PRO 63 2HG PRO 63 -4.723 -4.216 -10.445 421 HG3 PRO 63 3HG PRO 63 -3.540 -4.494 -9.160 422 HD2 PRO 63 2HD PRO 63 -4.903 -2.133 -9.355 423 HD3 PRO 63 3HD PRO 63 -3.244 -2.189 -8.745 424 H GLU 64 H GLU 64 -2.121 -3.679 -14.106 425 HA GLU 64 HA GLU 64 -4.120 -2.626 -15.736 426 HB2 GLU 64 2HB GLU 64 -1.973 -3.631 -16.503 427 HB3 GLU 64 3HB GLU 64 -2.537 -5.228 -15.994 428 HG2 GLU 64 2HG GLU 64 -4.389 -5.117 -17.648 429 HG3 GLU 64 3HG GLU 64 -3.870 -3.500 -18.139 Start of MODEL 10 1 H ALA 1 1H ALA 1 3.530 -12.478 7.888 2 HA ALA 1 HA ALA 1 1.656 -12.885 6.504 3 HB1 ALA 1 3HB ALA 1 1.195 -13.344 9.492 4 HB2 ALA 1 1HB ALA 1 0.357 -14.205 8.158 5 HB3 ALA 1 2HB ALA 1 2.127 -14.405 8.383 6 H GLY 2 H GLY 2 1.054 -10.485 5.940 7 HA2 GLY 2 2HA GLY 2 -1.506 -9.907 7.313 8 HA3 GLY 2 3HA GLY 2 -0.366 -8.650 6.815 9 H LEU 3 H LEU 3 -1.455 -7.546 5.180 10 HA LEU 3 HA LEU 3 -2.718 -9.167 3.081 11 HB2 LEU 3 2HB LEU 3 -2.809 -6.175 3.712 12 HB3 LEU 3 3HB LEU 3 -3.671 -6.961 2.383 13 HG LEU 3 HG LEU 3 -4.121 -7.552 5.356 14 HD11 LEU 3 1HD1 LEU 3 -6.259 -6.364 5.022 15 HD12 LEU 3 2HD1 LEU 3 -4.853 -5.288 4.718 16 HD13 LEU 3 3HD1 LEU 3 -5.779 -5.969 3.337 17 HD21 LEU 3 3HD2 LEU 3 -4.556 -9.484 3.883 18 HD22 LEU 3 1HD2 LEU 3 -6.087 -8.805 4.531 19 HD23 LEU 3 2HD2 LEU 3 -5.597 -8.460 2.838 20 H SER 4 H SER 4 -2.123 -8.990 0.872 21 HA SER 4 HA SER 4 0.323 -7.409 0.378 22 HB2 SER 4 2HB SER 4 0.874 -9.800 0.531 23 HB3 SER 4 3HB SER 4 -0.415 -10.200 -0.613 24 HG SER 4 HG SER 4 1.666 -10.090 -1.625 25 H PHE 5 H PHE 5 0.155 -5.968 -1.292 26 HA PHE 5 HA PHE 5 -1.889 -6.559 -3.337 27 HB2 PHE 5 2HB PHE 5 -1.127 -3.858 -2.124 28 HB3 PHE 5 3HB PHE 5 -2.165 -4.069 -3.540 29 HD1 PHE 5 HD1 PHE 5 -4.431 -4.983 -3.320 30 HD2 PHE 5 HD2 PHE 5 -1.918 -4.419 0.119 31 HE1 PHE 5 HE1 PHE 5 -6.402 -5.214 -1.841 32 HE2 PHE 5 HE2 PHE 5 -3.891 -4.658 1.596 33 HZ PHE 5 HZ PHE 5 -6.135 -5.055 0.620 34 H HIS 6 H HIS 6 -1.265 -6.203 -5.503 35 HA HIS 6 HA HIS 6 1.559 -5.419 -5.840 36 HB2 HIS 6 2HB HIS 6 1.253 -7.888 -6.015 37 HB3 HIS 6 3HB HIS 6 0.023 -7.651 -7.264 38 HD2 HIS 6 HD2 HIS 6 1.051 -7.707 -9.800 39 HE1 HIS 6 HE1 HIS 6 5.126 -6.852 -8.803 40 H VAL 7 H VAL 7 1.859 -3.748 -7.271 41 HA VAL 7 HA VAL 7 -0.371 -3.218 -9.112 42 HB VAL 7 HB VAL 7 1.297 -1.197 -7.525 43 HG11 VAL 7 1HG1 VAL 7 -0.173 0.504 -8.557 44 HG12 VAL 7 2HG1 VAL 7 0.789 -0.383 -9.787 45 HG13 VAL 7 3HG1 VAL 7 -0.948 -0.775 -9.551 46 HG21 VAL 7 3HG2 VAL 7 -0.408 -2.319 -6.159 47 HG22 VAL 7 1HG2 VAL 7 -0.861 -0.609 -6.470 48 HG23 VAL 7 2HG2 VAL 7 -1.663 -1.931 -7.384 49 H GLU 8 H GLU 8 0.352 -3.454 -11.207 50 HA GLU 8 HA GLU 8 3.151 -3.632 -11.725 51 HB2 GLU 8 2HB GLU 8 0.655 -3.637 -13.480 52 HB3 GLU 8 3HB GLU 8 2.290 -3.811 -14.131 53 HG2 GLU 8 2HG GLU 8 1.059 -5.683 -12.049 54 HG3 GLU 8 3HG GLU 8 1.065 -5.989 -13.791 55 H ASP 9 H ASP 9 0.654 -1.068 -12.059 56 HA ASP 9 HA ASP 9 2.448 0.508 -13.731 57 HB2 ASP 9 2HB ASP 9 -0.379 0.985 -12.669 58 HB3 ASP 9 3HB ASP 9 0.503 2.110 -13.711 59 H MET 10 H MET 10 2.894 -0.192 -10.693 60 HA MET 10 HA MET 10 2.494 2.273 -9.315 61 HB2 MET 10 2HB MET 10 2.579 0.073 -8.194 62 HB3 MET 10 3HB MET 10 4.243 -0.167 -8.745 63 HG2 MET 10 2HG MET 10 5.072 1.597 -7.332 64 HG3 MET 10 3HG MET 10 3.442 2.189 -6.986 65 HE1 MET 10 3HE MET 10 4.253 1.605 -3.801 66 HE2 MET 10 1HE MET 10 5.640 0.492 -4.051 67 HE3 MET 10 2HE MET 10 5.463 1.952 -5.083 68 H THR 11 H THR 11 3.537 4.109 -10.082 69 HA THR 11 HA THR 11 6.177 4.092 -11.042 70 HB THR 11 HB THR 11 4.556 6.333 -9.724 71 HG1 THR 11 HG1 THR 11 4.150 6.897 -11.983 72 HG21 THR 11 3HG2 THR 11 7.030 6.430 -11.518 73 HG22 THR 11 1HG2 THR 11 6.090 7.848 -10.944 74 HG23 THR 11 2HG2 THR 11 6.974 6.821 -9.766 75 H CYS 12 H CYS 12 8.190 4.347 -9.980 76 HA CYS 12 HA CYS 12 8.082 3.518 -7.134 77 HB2 CYS 12 2HB CYS 12 10.204 3.786 -9.374 78 HB3 CYS 12 3HB CYS 12 10.466 2.970 -7.827 79 HG CYS 12 HG CYS 12 9.203 0.689 -8.428 80 H GLY 13 H GLY 13 8.626 4.785 -5.450 81 HA2 GLY 13 2HA GLY 13 9.794 6.437 -4.372 82 HA3 GLY 13 3HA GLY 13 10.388 7.051 -5.920 83 H HIS 14 H HIS 14 7.073 6.591 -6.391 84 HA HIS 14 HA HIS 14 6.447 9.289 -5.397 85 HB2 HIS 14 2HB HIS 14 5.932 8.195 -8.207 86 HB3 HIS 14 3HB HIS 14 5.272 9.709 -7.573 87 HD2 HIS 14 HD2 HIS 14 8.381 8.474 -9.419 88 HE1 HIS 14 HE1 HIS 14 9.372 12.319 -7.819 89 H CYS 15 H CYS 15 5.779 6.243 -4.765 90 HA CYS 15 HA CYS 15 2.845 6.626 -4.520 91 HB2 CYS 15 2HB CYS 15 3.480 5.534 -6.758 92 HB3 CYS 15 3HB CYS 15 4.457 4.353 -5.875 93 HG CYS 15 HG CYS 15 1.099 4.432 -6.279 94 H ALA 16 H ALA 16 5.823 4.657 -3.830 95 HA ALA 16 HA ALA 16 4.612 3.043 -1.899 96 HB1 ALA 16 3HB ALA 16 7.499 4.021 -2.163 97 HB2 ALA 16 1HB ALA 16 6.948 2.640 -1.155 98 HB3 ALA 16 2HB ALA 16 6.794 2.565 -2.943 99 H GLY 17 H GLY 17 6.284 6.273 -1.575 100 HA2 GLY 17 2HA GLY 17 6.107 6.372 1.233 101 HA3 GLY 17 3HA GLY 17 6.282 7.737 0.122 102 H VAL 18 H VAL 18 3.786 7.348 -1.394 103 HA VAL 18 HA VAL 18 2.109 8.802 0.329 104 HB VAL 18 HB VAL 18 1.624 7.445 -2.368 105 HG11 VAL 18 1HG1 VAL 18 -0.417 8.838 -2.522 106 HG12 VAL 18 2HG1 VAL 18 -0.507 7.668 -1.162 107 HG13 VAL 18 3HG1 VAL 18 -0.155 9.398 -0.835 108 HG21 VAL 18 3HG2 VAL 18 3.269 9.272 -2.397 109 HG22 VAL 18 1HG2 VAL 18 1.756 9.761 -3.232 110 HG23 VAL 18 2HG2 VAL 18 2.098 10.356 -1.572 111 H ILE 19 H ILE 19 1.973 5.367 -0.918 112 HA ILE 19 HA ILE 19 -0.514 4.846 0.300 113 HB ILE 19 HB ILE 19 1.724 3.051 -0.752 114 HG12 ILE 19 2HG1 ILE 19 -1.072 3.631 -1.835 115 HG13 ILE 19 3HG1 ILE 19 0.380 4.507 -2.340 116 HG21 ILE 19 1HG2 ILE 19 0.113 1.182 -0.602 117 HG22 ILE 19 2HG2 ILE 19 0.518 1.848 1.016 118 HG23 ILE 19 3HG2 ILE 19 -1.051 2.258 0.243 119 HD11 ILE 19 3HD1 ILE 19 -0.086 1.505 -2.642 120 HD12 ILE 19 1HD1 ILE 19 -0.188 2.737 -3.944 121 HD13 ILE 19 2HD1 ILE 19 1.388 2.394 -3.154 122 H LYS 20 H LYS 20 2.936 4.242 1.304 123 HA LYS 20 HA LYS 20 2.358 2.639 3.508 124 HB2 LYS 20 2HB LYS 20 4.597 2.886 2.522 125 HB3 LYS 20 3HB LYS 20 4.642 4.595 2.975 126 HG2 LYS 20 2HG LYS 20 4.556 3.945 5.392 127 HG3 LYS 20 3HG LYS 20 4.545 2.240 4.924 128 HD2 LYS 20 2HD LYS 20 6.749 2.478 3.833 129 HD3 LYS 20 3HD LYS 20 6.752 4.218 4.149 130 HE2 LYS 20 2HE LYS 20 6.660 3.744 6.622 131 HE3 LYS 20 3HE LYS 20 6.728 2.011 6.275 132 HZ1 LYS 20 3HZ LYS 20 8.805 3.975 5.542 133 HZ2 LYS 20 1HZ LYS 20 8.896 2.900 6.768 134 HZ3 LYS 20 2HZ LYS 20 8.868 2.375 5.222 135 H GLY 21 H GLY 21 2.883 6.270 3.346 136 HA2 GLY 21 2HA GLY 21 2.437 6.675 6.093 137 HA3 GLY 21 3HA GLY 21 2.326 7.879 4.802 138 H ALA 22 H ALA 22 0.171 6.566 3.251 139 HA ALA 22 HA ALA 22 -1.972 7.800 4.600 140 HB1 ALA 22 3HB ALA 22 -1.914 5.857 2.240 141 HB2 ALA 22 1HB ALA 22 -3.314 6.870 2.730 142 HB3 ALA 22 2HB ALA 22 -1.802 7.647 2.148 143 H ILE 23 H ILE 23 -1.035 4.307 4.178 144 HA ILE 23 HA ILE 23 -3.395 3.383 5.452 145 HB ILE 23 HB ILE 23 -0.696 2.061 4.875 146 HG12 ILE 23 2HG1 ILE 23 -3.412 1.690 3.531 147 HG13 ILE 23 3HG1 ILE 23 -2.177 2.811 2.943 148 HG21 ILE 23 1HG2 ILE 23 -1.842 -0.081 5.329 149 HG22 ILE 23 2HG2 ILE 23 -1.779 0.965 6.787 150 HG23 ILE 23 3HG2 ILE 23 -3.306 0.817 5.854 151 HD11 ILE 23 3HD1 ILE 23 -1.845 -0.208 3.243 152 HD12 ILE 23 1HD1 ILE 23 -2.106 0.690 1.710 153 HD13 ILE 23 2HD1 ILE 23 -0.591 0.930 2.646 154 H GLU 24 H GLU 24 0.061 3.880 6.536 155 HA GLU 24 HA GLU 24 -0.281 2.755 9.075 156 HB2 GLU 24 2HB GLU 24 1.899 3.238 7.965 157 HB3 GLU 24 3HB GLU 24 1.599 4.973 8.130 158 HG2 GLU 24 2HG GLU 24 1.631 4.774 10.595 159 HG3 GLU 24 3HG GLU 24 1.838 3.022 10.473 160 H LYS 25 H LYS 25 -1.038 6.034 7.792 161 HA LYS 25 HA LYS 25 -1.296 7.313 10.278 162 HB2 LYS 25 2HB LYS 25 -1.133 8.466 8.089 163 HB3 LYS 25 3HB LYS 25 -2.700 7.801 7.608 164 HG2 LYS 25 2HG LYS 25 -3.832 9.068 9.393 165 HG3 LYS 25 3HG LYS 25 -2.280 9.662 9.998 166 HD2 LYS 25 2HD LYS 25 -1.860 10.810 7.822 167 HD3 LYS 25 3HD LYS 25 -3.395 10.196 7.193 168 HE2 LYS 25 2HE LYS 25 -4.618 11.405 9.017 169 HE3 LYS 25 3HE LYS 25 -3.080 12.030 9.628 170 HZ1 LYS 25 3HZ LYS 25 -4.188 12.562 6.946 171 HZ2 LYS 25 1HZ LYS 25 -4.172 13.608 8.199 172 HZ3 LYS 25 2HZ LYS 25 -2.768 13.139 7.509 173 H THR 26 H THR 26 -3.582 5.281 8.336 174 HA THR 26 HA THR 26 -5.690 5.924 10.240 175 HB THR 26 HB THR 26 -7.156 4.683 8.669 176 HG1 THR 26 HG1 THR 26 -4.681 3.800 7.750 177 HG21 THR 26 3HG2 THR 26 -5.312 6.689 7.281 178 HG22 THR 26 1HG2 THR 26 -6.953 6.213 6.730 179 HG23 THR 26 2HG2 THR 26 -6.746 7.086 8.286 180 H VAL 27 H VAL 27 -3.237 3.504 9.677 181 HA VAL 27 HA VAL 27 -4.730 1.672 11.427 182 HB VAL 27 HB VAL 27 -2.721 0.944 9.234 183 HG11 VAL 27 1HG1 VAL 27 -3.399 -1.385 9.729 184 HG12 VAL 27 2HG1 VAL 27 -2.654 -0.588 11.156 185 HG13 VAL 27 3HG1 VAL 27 -4.436 -0.793 11.070 186 HG21 VAL 27 3HG2 VAL 27 -4.856 1.713 8.290 187 HG22 VAL 27 1HG2 VAL 27 -4.666 -0.061 8.079 188 HG23 VAL 27 2HG2 VAL 27 -5.750 0.581 9.359 189 HA PRO 28 HA PRO 28 -0.887 2.905 13.618 190 HB2 PRO 28 2HB PRO 28 -2.020 2.832 16.147 191 HB3 PRO 28 3HB PRO 28 -2.246 4.235 15.094 192 HG2 PRO 28 2HG PRO 28 -4.115 1.888 15.572 193 HG3 PRO 28 3HG PRO 28 -4.494 3.615 15.524 194 HD2 PRO 28 2HD PRO 28 -4.953 2.014 13.367 195 HD3 PRO 28 3HD PRO 28 -4.455 3.699 13.160 196 H GLY 29 H GLY 29 0.691 1.726 14.643 197 HA2 GLY 29 2HA GLY 29 1.511 -0.019 15.876 198 HA3 GLY 29 3HA GLY 29 -0.085 -0.781 15.892 199 H ALA 30 H ALA 30 -0.864 -1.499 13.504 200 HA ALA 30 HA ALA 30 0.839 -3.450 12.555 201 HB1 ALA 30 3HB ALA 30 -1.329 -1.872 11.085 202 HB2 ALA 30 1HB ALA 30 -0.633 -3.441 10.555 203 HB3 ALA 30 2HB ALA 30 -1.575 -3.346 12.081 204 H ALA 31 H ALA 31 2.466 -3.595 10.998 205 HA ALA 31 HA ALA 31 3.631 -0.993 10.344 206 HB1 ALA 31 3HB ALA 31 4.742 -3.841 10.261 207 HB2 ALA 31 1HB ALA 31 5.668 -2.344 9.906 208 HB3 ALA 31 2HB ALA 31 5.018 -2.628 11.556 209 H VAL 32 H VAL 32 3.698 -0.172 8.287 210 HA VAL 32 HA VAL 32 2.742 -1.973 6.179 211 HB VAL 32 HB VAL 32 2.797 1.086 6.323 212 HG11 VAL 32 1HG1 VAL 32 1.443 0.985 4.253 213 HG12 VAL 32 2HG1 VAL 32 3.070 0.261 4.023 214 HG13 VAL 32 3HG1 VAL 32 1.635 -0.801 4.220 215 HG21 VAL 32 3HG2 VAL 32 1.142 0.095 7.845 216 HG22 VAL 32 1HG2 VAL 32 0.334 0.890 6.453 217 HG23 VAL 32 2HG2 VAL 32 0.483 -0.899 6.503 218 H HIS 33 H HIS 33 4.186 -2.621 4.610 219 HA HIS 33 HA HIS 33 6.588 -0.943 4.257 220 HB2 HIS 33 2HB HIS 33 6.379 -3.991 4.106 221 HB3 HIS 33 3HB HIS 33 7.832 -3.033 3.793 222 HD2 HIS 33 HD2 HIS 33 5.864 -4.525 6.796 223 HE1 HIS 33 HE1 HIS 33 9.117 -2.233 8.374 224 H ALA 34 H ALA 34 6.246 0.110 2.311 225 HA ALA 34 HA ALA 34 5.199 -1.513 0.095 226 HB1 ALA 34 3HB ALA 34 5.598 1.503 0.419 227 HB2 ALA 34 1HB ALA 34 4.915 0.686 -1.027 228 HB3 ALA 34 2HB ALA 34 4.041 0.616 0.540 229 H ASP 35 H ASP 35 6.545 -2.237 -1.505 230 HA ASP 35 HA ASP 35 9.176 -0.912 -1.700 231 HB2 ASP 35 2HB ASP 35 9.305 -3.189 -0.688 232 HB3 ASP 35 3HB ASP 35 8.471 -3.861 -2.095 233 HA PRO 36 HA PRO 36 7.402 -0.303 -5.811 234 HB2 PRO 36 2HB PRO 36 9.121 1.741 -6.518 235 HB3 PRO 36 3HB PRO 36 7.772 2.045 -5.416 236 HG2 PRO 36 2HG PRO 36 10.693 1.529 -4.758 237 HG3 PRO 36 3HG PRO 36 9.609 2.761 -4.099 238 HD2 PRO 36 2HD PRO 36 10.124 0.445 -2.742 239 HD3 PRO 36 3HD PRO 36 8.551 1.245 -2.632 240 H ALA 37 H ALA 37 10.677 -1.222 -4.871 241 HA ALA 37 HA ALA 37 11.622 -1.679 -7.493 242 HB1 ALA 37 3HB ALA 37 12.304 -3.005 -4.823 243 HB2 ALA 37 1HB ALA 37 13.266 -3.137 -6.334 244 HB3 ALA 37 2HB ALA 37 13.088 -1.547 -5.518 245 H SER 38 H SER 38 9.686 -3.691 -5.179 246 HA SER 38 HA SER 38 9.555 -5.790 -7.226 247 HB2 SER 38 2HB SER 38 8.512 -7.110 -5.462 248 HB3 SER 38 3HB SER 38 10.035 -6.423 -4.882 249 HG SER 38 HG SER 38 8.163 -4.614 -4.316 250 H ARG 39 H ARG 39 7.917 -2.903 -6.377 251 HA ARG 39 HA ARG 39 5.972 -2.046 -6.962 252 HB2 ARG 39 2HB ARG 39 5.812 -4.430 -8.820 253 HB3 ARG 39 3HB ARG 39 4.658 -3.090 -8.803 254 HG2 ARG 39 2HG ARG 39 6.753 -1.566 -9.137 255 HG3 ARG 39 3HG ARG 39 7.587 -3.060 -9.585 256 HD2 ARG 39 2HD ARG 39 5.086 -1.969 -10.891 257 HD3 ARG 39 3HD ARG 39 6.735 -1.792 -11.506 258 HE ARG 39 HE ARG 39 5.038 -4.141 -11.678 259 HH11 ARG 39 1HH1 ARG 39 8.347 -2.965 -11.829 260 HH12 ARG 39 2HH1 ARG 39 8.913 -4.336 -12.723 261 HH21 ARG 39 1HH2 ARG 39 5.777 -5.883 -12.835 262 HH22 ARG 39 2HH2 ARG 39 7.440 -6.010 -13.302 263 H THR 40 H THR 40 6.084 -3.643 -4.553 264 HA THR 40 HA THR 40 3.348 -4.688 -4.538 265 HB THR 40 HB THR 40 5.803 -6.063 -3.323 266 HG1 THR 40 HG1 THR 40 4.122 -6.548 -5.625 267 HG21 THR 40 3HG2 THR 40 2.849 -6.853 -3.333 268 HG22 THR 40 1HG2 THR 40 4.203 -7.850 -2.701 269 HG23 THR 40 2HG2 THR 40 3.791 -6.290 -1.911 270 H VAL 41 H VAL 41 2.173 -4.137 -2.674 271 HA VAL 41 HA VAL 41 3.738 -2.835 -0.553 272 HB VAL 41 HB VAL 41 0.810 -2.449 -1.356 273 HG11 VAL 41 1HG1 VAL 41 0.817 -0.627 0.320 274 HG12 VAL 41 2HG1 VAL 41 1.132 -2.228 1.070 275 HG13 VAL 41 3HG1 VAL 41 2.487 -1.081 0.799 276 HG21 VAL 41 3HG2 VAL 41 2.382 -1.430 -2.949 277 HG22 VAL 41 1HG2 VAL 41 1.536 -0.167 -1.991 278 HG23 VAL 41 2HG2 VAL 41 3.234 -0.604 -1.600 279 H VAL 42 H VAL 42 3.772 -3.861 1.428 280 HA VAL 42 HA VAL 42 1.712 -5.917 1.849 281 HB VAL 42 HB VAL 42 4.592 -5.771 2.879 282 HG11 VAL 42 1HG1 VAL 42 4.142 -8.006 3.843 283 HG12 VAL 42 2HG1 VAL 42 3.084 -6.743 4.559 284 HG13 VAL 42 3HG1 VAL 42 2.426 -7.876 3.330 285 HG21 VAL 42 3HG2 VAL 42 4.435 -6.402 0.509 286 HG22 VAL 42 1HG2 VAL 42 4.920 -7.809 1.514 287 HG23 VAL 42 2HG2 VAL 42 3.233 -7.673 0.913 288 H VAL 43 H VAL 43 0.409 -5.714 3.667 289 HA VAL 43 HA VAL 43 1.319 -3.774 5.681 290 HB VAL 43 HB VAL 43 -1.523 -4.598 4.894 291 HG11 VAL 43 1HG1 VAL 43 -2.248 -2.872 6.512 292 HG12 VAL 43 2HG1 VAL 43 -1.337 -4.197 7.311 293 HG13 VAL 43 3HG1 VAL 43 -0.539 -2.618 7.001 294 HG21 VAL 43 3HG2 VAL 43 -0.460 -3.093 3.266 295 HG22 VAL 43 1HG2 VAL 43 -1.743 -2.236 4.185 296 HG23 VAL 43 2HG2 VAL 43 -0.014 -1.960 4.586 297 H GLY 44 H GLY 44 1.967 -4.754 7.587 298 HA2 GLY 44 2HA GLY 44 1.395 -7.571 7.903 299 HA3 GLY 44 3HA GLY 44 2.469 -6.559 8.878 300 H GLY 45 H GLY 45 0.656 -8.481 10.044 301 HA2 GLY 45 2HA GLY 45 -0.531 -8.434 11.977 302 HA3 GLY 45 3HA GLY 45 -0.685 -6.677 11.850 303 H VAL 46 H VAL 46 -2.740 -5.904 11.466 304 HA VAL 46 HA VAL 46 -4.426 -7.449 9.670 305 HB VAL 46 HB VAL 46 -5.034 -8.244 11.937 306 HG11 VAL 46 1HG1 VAL 46 -6.013 -6.677 13.584 307 HG12 VAL 46 2HG1 VAL 46 -4.297 -6.285 13.227 308 HG13 VAL 46 3HG1 VAL 46 -5.613 -5.299 12.504 309 HG21 VAL 46 3HG2 VAL 46 -6.789 -8.056 10.225 310 HG22 VAL 46 1HG2 VAL 46 -7.448 -7.697 11.857 311 HG23 VAL 46 2HG2 VAL 46 -7.101 -6.356 10.713 312 H SER 47 H SER 47 -5.822 -6.127 8.422 313 HA SER 47 HA SER 47 -6.422 -3.446 9.286 314 HB2 SER 47 2HB SER 47 -4.166 -3.100 8.379 315 HB3 SER 47 3HB SER 47 -4.597 -3.955 6.892 316 HG SER 47 HG SER 47 -6.090 -1.672 7.782 317 H ASP 48 H ASP 48 -8.263 -2.621 8.210 318 HA ASP 48 HA ASP 48 -9.842 -4.383 6.684 319 HB2 ASP 48 2HB ASP 48 -10.677 -2.447 8.028 320 HB3 ASP 48 3HB ASP 48 -9.903 -1.333 6.893 321 H ALA 49 H ALA 49 -9.311 -5.145 4.667 322 HA ALA 49 HA ALA 49 -7.323 -3.915 3.103 323 HB1 ALA 49 3HB ALA 49 -9.461 -5.984 2.395 324 HB2 ALA 49 1HB ALA 49 -8.009 -5.599 1.411 325 HB3 ALA 49 2HB ALA 49 -7.822 -6.326 3.043 326 H ALA 50 H ALA 50 -10.859 -3.463 3.266 327 HA ALA 50 HA ALA 50 -11.281 -2.555 0.660 328 HB1 ALA 50 3HB ALA 50 -12.644 -1.784 3.287 329 HB2 ALA 50 1HB ALA 50 -13.294 -1.482 1.640 330 HB3 ALA 50 2HB ALA 50 -13.081 -3.166 2.226 331 H HIS 51 H HIS 51 -10.202 -0.773 3.643 332 HA HIS 51 HA HIS 51 -10.401 1.763 2.342 333 HB2 HIS 51 2HB HIS 51 -9.102 0.785 4.927 334 HB3 HIS 51 3HB HIS 51 -9.041 2.474 4.405 335 HD2 HIS 51 HD2 HIS 51 -11.004 0.736 6.888 336 HE1 HIS 51 HE1 HIS 51 -13.955 3.128 4.917 337 H ILE 52 H ILE 52 -7.787 -0.682 2.859 338 HA ILE 52 HA ILE 52 -5.678 0.940 2.005 339 HB ILE 52 HB ILE 52 -6.163 -2.075 1.892 340 HG12 ILE 52 2HG1 ILE 52 -4.298 -0.410 3.644 341 HG13 ILE 52 3HG1 ILE 52 -5.940 -0.865 4.121 342 HG21 ILE 52 1HG2 ILE 52 -3.744 -2.311 1.426 343 HG22 ILE 52 2HG2 ILE 52 -4.601 -1.462 0.095 344 HG23 ILE 52 3HG2 ILE 52 -3.605 -0.528 1.262 345 HD11 ILE 52 3HD1 ILE 52 -3.676 -2.801 3.455 346 HD12 ILE 52 1HD1 ILE 52 -4.281 -2.389 5.095 347 HD13 ILE 52 2HD1 ILE 52 -5.343 -3.263 3.939 348 H ALA 53 H ALA 53 -8.020 -1.163 0.170 349 HA ALA 53 HA ALA 53 -6.820 -0.751 -2.349 350 HB1 ALA 53 3HB ALA 53 -9.713 -1.340 -1.548 351 HB2 ALA 53 1HB ALA 53 -9.030 -1.502 -3.201 352 HB3 ALA 53 2HB ALA 53 -8.431 -2.555 -1.875 353 H GLU 54 H GLU 54 -9.290 1.129 -0.469 354 HA GLU 54 HA GLU 54 -9.866 2.968 -2.517 355 HB2 GLU 54 2HB GLU 54 -9.906 3.119 0.528 356 HB3 GLU 54 3HB GLU 54 -10.428 4.461 -0.499 357 HG2 GLU 54 2HG GLU 54 -12.243 3.158 -1.433 358 HG3 GLU 54 3HG GLU 54 -11.631 1.664 -0.712 359 H ILE 55 H ILE 55 -7.206 2.811 -0.056 360 HA ILE 55 HA ILE 55 -6.276 5.417 -0.543 361 HB ILE 55 HB ILE 55 -4.991 2.893 0.595 362 HG12 ILE 55 2HG1 ILE 55 -5.725 5.535 1.931 363 HG13 ILE 55 3HG1 ILE 55 -6.835 4.163 1.829 364 HG21 ILE 55 1HG2 ILE 55 -3.105 4.320 1.323 365 HG22 ILE 55 2HG2 ILE 55 -3.223 4.230 -0.467 366 HG23 ILE 55 3HG2 ILE 55 -3.795 5.697 0.397 367 HD11 ILE 55 3HD1 ILE 55 -4.097 4.143 3.176 368 HD12 ILE 55 1HD1 ILE 55 -5.691 4.215 3.999 369 HD13 ILE 55 2HD1 ILE 55 -5.225 2.749 3.072 370 H ILE 56 H ILE 56 -5.337 2.166 -1.913 371 HA ILE 56 HA ILE 56 -3.154 3.139 -3.362 372 HB ILE 56 HB ILE 56 -4.964 0.704 -3.719 373 HG12 ILE 56 2HG1 ILE 56 -2.076 0.918 -2.755 374 HG13 ILE 56 3HG1 ILE 56 -3.468 0.952 -1.666 375 HG21 ILE 56 1HG2 ILE 56 -3.236 -0.186 -5.248 376 HG22 ILE 56 2HG2 ILE 56 -4.005 1.300 -5.900 377 HG23 ILE 56 3HG2 ILE 56 -2.366 1.383 -5.171 378 HD11 ILE 56 3HD1 ILE 56 -2.742 -1.329 -3.559 379 HD12 ILE 56 1HD1 ILE 56 -2.490 -1.295 -1.781 380 HD13 ILE 56 2HD1 ILE 56 -4.156 -1.294 -2.453 381 H THR 57 H THR 57 -6.648 2.624 -4.293 382 HA THR 57 HA THR 57 -6.307 3.426 -6.956 383 HB THR 57 HB THR 57 -8.747 3.559 -5.108 384 HG1 THR 57 HG1 THR 57 -8.194 1.413 -5.374 385 HG21 THR 57 3HG2 THR 57 -8.550 3.728 -8.155 386 HG22 THR 57 1HG2 THR 57 -10.069 3.635 -7.203 387 HG23 THR 57 2HG2 THR 57 -8.997 5.068 -7.046 388 H ALA 58 H ALA 58 -6.997 5.270 -3.906 389 HA ALA 58 HA ALA 58 -7.667 7.692 -5.165 390 HB1 ALA 58 3HB ALA 58 -6.421 7.114 -2.433 391 HB2 ALA 58 1HB ALA 58 -7.176 8.665 -2.935 392 HB3 ALA 58 2HB ALA 58 -8.176 7.178 -2.812 393 H ALA 59 H ALA 59 -4.496 6.194 -4.328 394 HA ALA 59 HA ALA 59 -3.025 8.577 -4.938 395 HB1 ALA 59 3HB ALA 59 -2.206 5.637 -4.738 396 HB2 ALA 59 1HB ALA 59 -1.082 7.034 -4.842 397 HB3 ALA 59 2HB ALA 59 -2.155 6.849 -3.414 398 H GLY 60 H GLY 60 -4.661 6.164 -6.877 399 HA2 GLY 60 2HA GLY 60 -5.059 6.488 -9.103 400 HA3 GLY 60 3HA GLY 60 -3.730 7.652 -9.188 401 H TYR 61 H TYR 61 -2.944 4.609 -7.595 402 HA TYR 61 HA TYR 61 -1.601 3.749 -10.079 403 HB2 TYR 61 2HB TYR 61 -0.703 3.466 -7.169 404 HB3 TYR 61 3HB TYR 61 0.136 2.783 -8.568 405 HD1 TYR 61 HD1 TYR 61 1.062 4.388 -10.338 406 HD2 TYR 61 HD2 TYR 61 -0.324 5.715 -6.498 407 HE1 TYR 61 HE1 TYR 61 2.332 6.496 -10.611 408 HE2 TYR 61 HE2 TYR 61 0.943 7.825 -6.765 409 HH TYR 61 HH TYR 61 2.964 8.614 -8.035 410 H THR 62 H THR 62 -3.477 2.398 -10.652 411 HA THR 62 HA THR 62 -3.544 -0.010 -8.975 412 HB THR 62 HB THR 62 -5.629 -0.583 -10.197 413 HG1 THR 62 HG1 THR 62 -6.560 1.090 -11.582 414 HG21 THR 62 3HG2 THR 62 -5.639 2.239 -9.023 415 HG22 THR 62 1HG2 THR 62 -7.076 1.185 -9.244 416 HG23 THR 62 2HG2 THR 62 -5.778 0.705 -8.099 417 HA PRO 63 HA PRO 63 -1.360 -2.155 -12.139 418 HB2 PRO 63 2HB PRO 63 -2.328 -4.742 -11.705 419 HB3 PRO 63 3HB PRO 63 -1.246 -3.968 -10.539 420 HG2 PRO 63 2HG PRO 63 -4.268 -4.197 -10.480 421 HG3 PRO 63 3HG PRO 63 -3.107 -4.453 -9.171 422 HD2 PRO 63 2HD PRO 63 -4.498 -2.117 -9.383 423 HD3 PRO 63 3HD PRO 63 -2.839 -2.134 -8.772 424 H GLU 64 H GLU 64 -1.460 -3.331 -14.157 425 HA GLU 64 HA GLU 64 -3.575 -2.444 -15.752 426 HB2 GLU 64 2HB GLU 64 -1.275 -3.012 -16.535 427 HB3 GLU 64 3HB GLU 64 -1.584 -4.721 -16.199 428 HG2 GLU 64 2HG GLU 64 -3.397 -4.745 -17.897 429 HG3 GLU 64 3HG GLU 64 -3.140 -3.024 -18.213 Start of MODEL 11 1 H ALA 1 1H ALA 1 4.031 -12.445 6.873 2 HA ALA 1 HA ALA 1 2.802 -12.340 8.892 3 HB1 ALA 1 3HB ALA 1 3.539 -9.635 7.673 4 HB2 ALA 1 1HB ALA 1 3.320 -9.971 9.423 5 HB3 ALA 1 2HB ALA 1 4.654 -10.761 8.518 6 H GLY 2 H GLY 2 1.549 -9.870 6.477 7 HA2 GLY 2 2HA GLY 2 -1.078 -10.230 7.800 8 HA3 GLY 2 3HA GLY 2 -0.442 -8.645 7.342 9 H LEU 3 H LEU 3 -1.002 -7.847 5.328 10 HA LEU 3 HA LEU 3 -2.104 -9.820 3.423 11 HB2 LEU 3 2HB LEU 3 -2.794 -6.870 3.832 12 HB3 LEU 3 3HB LEU 3 -3.490 -7.929 2.599 13 HG LEU 3 HG LEU 3 -3.798 -8.306 5.625 14 HD11 LEU 3 1HD1 LEU 3 -6.137 -7.634 5.222 15 HD12 LEU 3 2HD1 LEU 3 -4.990 -6.325 4.778 16 HD13 LEU 3 3HD1 LEU 3 -5.753 -7.324 3.495 17 HD21 LEU 3 3HD2 LEU 3 -3.818 -10.428 4.360 18 HD22 LEU 3 1HD2 LEU 3 -5.457 -10.023 4.971 19 HD23 LEU 3 2HD2 LEU 3 -5.052 -9.756 3.242 20 H SER 4 H SER 4 -1.682 -9.466 1.136 21 HA SER 4 HA SER 4 0.595 -7.648 0.648 22 HB2 SER 4 2HB SER 4 1.387 -9.966 0.757 23 HB3 SER 4 3HB SER 4 0.128 -10.486 -0.371 24 HG SER 4 HG SER 4 2.168 -10.155 -1.413 25 H PHE 5 H PHE 5 0.386 -6.297 -1.113 26 HA PHE 5 HA PHE 5 -1.833 -6.895 -2.960 27 HB2 PHE 5 2HB PHE 5 -1.072 -4.152 -1.845 28 HB3 PHE 5 3HB PHE 5 -2.372 -4.497 -2.993 29 HD1 PHE 5 HD1 PHE 5 -4.444 -5.597 -2.262 30 HD2 PHE 5 HD2 PHE 5 -1.306 -4.677 0.524 31 HE1 PHE 5 HE1 PHE 5 -6.014 -5.941 -0.380 32 HE2 PHE 5 HE2 PHE 5 -2.880 -5.020 2.406 33 HZ PHE 5 HZ PHE 5 -5.234 -5.651 1.957 34 H HIS 6 H HIS 6 -1.461 -6.354 -5.161 35 HA HIS 6 HA HIS 6 1.360 -5.676 -5.703 36 HB2 HIS 6 2HB HIS 6 -0.506 -7.566 -7.221 37 HB3 HIS 6 3HB HIS 6 1.149 -7.155 -7.691 38 HD2 HIS 6 HD2 HIS 6 -0.711 -9.670 -5.443 39 HE1 HIS 6 HE1 HIS 6 3.451 -9.980 -4.496 40 H VAL 7 H VAL 7 1.662 -3.838 -6.905 41 HA VAL 7 HA VAL 7 -0.564 -3.034 -8.641 42 HB VAL 7 HB VAL 7 1.130 -1.172 -6.897 43 HG11 VAL 7 1HG1 VAL 7 -0.465 0.566 -7.651 44 HG12 VAL 7 2HG1 VAL 7 0.431 -0.162 -9.027 45 HG13 VAL 7 3HG1 VAL 7 -1.271 -0.640 -8.710 46 HG21 VAL 7 3HG2 VAL 7 -0.440 -2.485 -5.534 47 HG22 VAL 7 1HG2 VAL 7 -0.965 -0.771 -5.641 48 HG23 VAL 7 2HG2 VAL 7 -1.791 -2.026 -6.625 49 H GLU 8 H GLU 8 0.305 -3.348 -10.699 50 HA GLU 8 HA GLU 8 3.111 -3.454 -11.061 51 HB2 GLU 8 2HB GLU 8 0.718 -3.445 -12.955 52 HB3 GLU 8 3HB GLU 8 2.386 -3.577 -13.528 53 HG2 GLU 8 2HG GLU 8 0.993 -5.523 -11.624 54 HG3 GLU 8 3HG GLU 8 1.290 -5.790 -13.347 55 H ASP 9 H ASP 9 0.662 -0.864 -11.450 56 HA ASP 9 HA ASP 9 2.365 0.607 -13.276 57 HB2 ASP 9 2HB ASP 9 -0.362 1.111 -12.003 58 HB3 ASP 9 3HB ASP 9 0.456 2.305 -13.021 59 H MET 10 H MET 10 2.359 0.152 -9.909 60 HA MET 10 HA MET 10 2.367 2.839 -9.010 61 HB2 MET 10 2HB MET 10 1.828 0.860 -7.606 62 HB3 MET 10 3HB MET 10 3.490 0.279 -7.777 63 HG2 MET 10 2HG MET 10 4.356 2.212 -6.556 64 HG3 MET 10 3HG MET 10 2.754 2.961 -6.515 65 HE1 MET 10 3HE MET 10 4.943 0.057 -4.281 66 HE2 MET 10 1HE MET 10 3.666 -1.123 -4.733 67 HE3 MET 10 2HE MET 10 4.566 -0.239 -6.012 68 H THR 11 H THR 11 3.920 4.373 -9.327 69 HA THR 11 HA THR 11 6.506 3.550 -10.268 70 HB THR 11 HB THR 11 6.949 5.991 -10.401 71 HG1 THR 11 HG1 THR 11 4.845 6.030 -8.597 72 HG21 THR 11 3HG2 THR 11 4.182 5.197 -11.433 73 HG22 THR 11 1HG2 THR 11 5.175 6.570 -12.030 74 HG23 THR 11 2HG2 THR 11 5.750 4.883 -12.251 75 H CYS 12 H CYS 12 8.474 4.953 -9.217 76 HA CYS 12 HA CYS 12 8.482 4.103 -6.346 77 HB2 CYS 12 2HB CYS 12 10.584 4.600 -8.565 78 HB3 CYS 12 3HB CYS 12 10.936 3.936 -6.964 79 HG CYS 12 HG CYS 12 11.054 1.828 -8.843 80 H GLY 13 H GLY 13 9.156 5.476 -4.734 81 HA2 GLY 13 2HA GLY 13 10.537 7.403 -4.211 82 HA3 GLY 13 3HA GLY 13 9.869 8.204 -5.640 83 H HIS 14 H HIS 14 8.758 9.968 -4.735 84 HA HIS 14 HA HIS 14 7.023 9.719 -2.516 85 HB2 HIS 14 2HB HIS 14 7.060 11.704 -4.843 86 HB3 HIS 14 3HB HIS 14 6.104 11.888 -3.367 87 HD2 HIS 14 HD2 HIS 14 9.427 13.050 -4.672 88 HE1 HIS 14 HE1 HIS 14 9.875 12.952 -0.416 89 H CYS 15 H CYS 15 6.120 7.496 -3.423 90 HA CYS 15 HA CYS 15 3.463 8.021 -4.570 91 HB2 CYS 15 2HB CYS 15 5.022 7.853 -6.532 92 HB3 CYS 15 3HB CYS 15 5.833 6.461 -5.803 93 HG CYS 15 HG CYS 15 3.029 6.523 -7.648 94 H ALA 16 H ALA 16 5.456 5.001 -4.536 95 HA ALA 16 HA ALA 16 3.696 3.584 -2.910 96 HB1 ALA 16 3HB ALA 16 6.726 3.341 -3.246 97 HB2 ALA 16 1HB ALA 16 5.647 2.092 -2.537 98 HB3 ALA 16 2HB ALA 16 5.476 2.552 -4.265 99 H GLY 17 H GLY 17 6.414 5.828 -2.042 100 HA2 GLY 17 2HA GLY 17 6.378 5.303 0.718 101 HA3 GLY 17 3HA GLY 17 6.913 6.787 -0.082 102 H VAL 18 H VAL 18 4.418 7.594 -1.341 103 HA VAL 18 HA VAL 18 3.090 8.783 0.817 104 HB VAL 18 HB VAL 18 2.290 8.342 -2.101 105 HG11 VAL 18 1HG1 VAL 18 0.577 10.090 -1.728 106 HG12 VAL 18 2HG1 VAL 18 0.271 8.631 -0.727 107 HG13 VAL 18 3HG1 VAL 18 0.977 10.103 0.023 108 HG21 VAL 18 3HG2 VAL 18 4.275 9.751 -1.760 109 HG22 VAL 18 1HG2 VAL 18 2.882 10.735 -2.323 110 HG23 VAL 18 2HG2 VAL 18 3.367 10.771 -0.594 111 H ILE 19 H ILE 19 2.371 5.821 -1.170 112 HA ILE 19 HA ILE 19 -0.120 5.318 0.014 113 HB ILE 19 HB ILE 19 1.952 3.519 -1.333 114 HG12 ILE 19 2HG1 ILE 19 -0.788 4.466 -2.290 115 HG13 ILE 19 3HG1 ILE 19 0.715 5.330 -2.642 116 HG21 ILE 19 1HG2 ILE 19 0.181 1.796 -1.451 117 HG22 ILE 19 2HG2 ILE 19 0.641 2.167 0.245 118 HG23 ILE 19 3HG2 ILE 19 -0.884 2.827 -0.437 119 HD11 ILE 19 3HD1 ILE 19 0.082 2.455 -3.443 120 HD12 ILE 19 1HD1 ILE 19 0.060 3.892 -4.519 121 HD13 ILE 19 2HD1 ILE 19 1.608 3.332 -3.801 122 H LYS 20 H LYS 20 3.267 4.311 0.884 123 HA LYS 20 HA LYS 20 2.618 2.531 2.914 124 HB2 LYS 20 2HB LYS 20 4.875 2.774 2.021 125 HB3 LYS 20 3HB LYS 20 4.958 4.459 2.551 126 HG2 LYS 20 2HG LYS 20 4.763 3.652 4.948 127 HG3 LYS 20 3HG LYS 20 4.845 1.990 4.351 128 HD2 LYS 20 2HD LYS 20 7.072 2.358 3.409 129 HD3 LYS 20 3HD LYS 20 6.982 4.094 3.734 130 HE2 LYS 20 2HE LYS 20 6.758 3.532 6.218 131 HE3 LYS 20 3HE LYS 20 7.074 1.842 5.805 132 HZ1 LYS 20 3HZ LYS 20 8.900 4.095 5.263 133 HZ2 LYS 20 1HZ LYS 20 9.077 2.984 6.446 134 HZ3 LYS 20 2HZ LYS 20 9.192 2.535 4.881 135 H GLY 21 H GLY 21 3.170 6.151 3.101 136 HA2 GLY 21 2HA GLY 21 2.753 6.271 5.891 137 HA3 GLY 21 3HA GLY 21 2.685 7.608 4.736 138 H ALA 22 H ALA 22 0.504 6.644 3.044 139 HA ALA 22 HA ALA 22 -1.647 7.657 4.530 140 HB1 ALA 22 3HB ALA 22 -1.582 5.996 1.961 141 HB2 ALA 22 1HB ALA 22 -2.986 6.940 2.562 142 HB3 ALA 22 2HB ALA 22 -1.479 7.785 2.073 143 H ILE 23 H ILE 23 -0.668 4.242 3.738 144 HA ILE 23 HA ILE 23 -2.982 3.128 4.919 145 HB ILE 23 HB ILE 23 -0.212 1.985 4.300 146 HG12 ILE 23 2HG1 ILE 23 -2.890 1.551 2.902 147 HG13 ILE 23 3HG1 ILE 23 -1.721 2.782 2.405 148 HG21 ILE 23 1HG2 ILE 23 -1.245 -0.242 4.600 149 HG22 ILE 23 2HG2 ILE 23 -1.252 0.709 6.124 150 HG23 ILE 23 3HG2 ILE 23 -2.760 0.541 5.163 151 HD11 ILE 23 3HD1 ILE 23 -1.209 -0.225 2.506 152 HD12 ILE 23 1HD1 ILE 23 -1.512 0.758 1.034 153 HD13 ILE 23 2HD1 ILE 23 -0.022 1.025 2.001 154 H GLU 24 H GLU 24 0.403 3.774 6.120 155 HA GLU 24 HA GLU 24 0.168 2.470 8.557 156 HB2 GLU 24 2HB GLU 24 2.272 3.358 7.588 157 HB3 GLU 24 3HB GLU 24 1.694 5.014 7.816 158 HG2 GLU 24 2HG GLU 24 1.660 4.675 10.280 159 HG3 GLU 24 3HG GLU 24 2.202 3.005 10.067 160 H LYS 25 H LYS 25 -0.931 5.776 7.563 161 HA LYS 25 HA LYS 25 -1.443 6.601 10.245 162 HB2 LYS 25 2HB LYS 25 -2.214 7.645 7.489 163 HB3 LYS 25 3HB LYS 25 -2.769 8.420 8.979 164 HG2 LYS 25 2HG LYS 25 -0.407 8.802 9.671 165 HG3 LYS 25 3HG LYS 25 0.161 8.005 8.198 166 HD2 LYS 25 2HD LYS 25 -1.068 9.724 6.823 167 HD3 LYS 25 3HD LYS 25 -1.563 10.537 8.313 168 HE2 LYS 25 2HE LYS 25 0.839 10.880 8.926 169 HE3 LYS 25 3HE LYS 25 1.336 10.063 7.438 170 HZ1 LYS 25 3HZ LYS 25 -0.250 12.548 7.565 171 HZ2 LYS 25 1HZ LYS 25 1.334 12.442 7.181 172 HZ3 LYS 25 2HZ LYS 25 0.209 11.793 6.192 173 H THR 26 H THR 26 -3.402 5.055 7.621 174 HA THR 26 HA THR 26 -5.829 5.717 9.044 175 HB THR 26 HB THR 26 -6.932 4.590 7.080 176 HG1 THR 26 HG1 THR 26 -4.318 4.522 5.855 177 HG21 THR 26 3HG2 THR 26 -4.817 6.685 6.379 178 HG22 THR 26 1HG2 THR 26 -6.276 6.297 5.407 179 HG23 THR 26 2HG2 THR 26 -6.452 7.012 7.044 180 H VAL 27 H VAL 27 -3.591 2.985 8.686 181 HA VAL 27 HA VAL 27 -5.572 1.285 10.025 182 HB VAL 27 HB VAL 27 -2.984 0.549 8.562 183 HG11 VAL 27 1HG1 VAL 27 -3.743 -1.788 8.854 184 HG12 VAL 27 2HG1 VAL 27 -3.455 -0.976 10.430 185 HG13 VAL 27 3HG1 VAL 27 -5.133 -1.208 9.834 186 HG21 VAL 27 3HG2 VAL 27 -4.767 1.284 7.036 187 HG22 VAL 27 1HG2 VAL 27 -4.500 -0.487 6.901 188 HG23 VAL 27 2HG2 VAL 27 -5.917 0.140 7.809 189 HA PRO 28 HA PRO 28 -2.986 2.325 13.533 190 HB2 PRO 28 2HB PRO 28 -4.661 1.187 15.443 191 HB3 PRO 28 3HB PRO 28 -5.051 2.736 14.684 192 HG2 PRO 28 2HG PRO 28 -6.065 -0.040 13.984 193 HG3 PRO 28 3HG PRO 28 -6.978 1.466 14.147 194 HD2 PRO 28 2HD PRO 28 -6.269 0.538 11.694 195 HD3 PRO 28 3HD PRO 28 -6.288 2.275 12.024 196 H GLY 29 H GLY 29 -1.197 1.408 14.302 197 HA2 GLY 29 2HA GLY 29 0.134 -0.152 15.209 198 HA3 GLY 29 3HA GLY 29 -1.317 -1.072 15.627 199 H ALA 30 H ALA 30 -0.171 -0.144 12.295 200 HA ALA 30 HA ALA 30 0.485 -2.988 11.875 201 HB1 ALA 30 3HB ALA 30 -0.974 -1.084 9.976 202 HB2 ALA 30 1HB ALA 30 -0.423 -2.746 9.574 203 HB3 ALA 30 2HB ALA 30 -1.689 -2.496 10.824 204 H ALA 31 H ALA 31 2.365 -3.406 10.673 205 HA ALA 31 HA ALA 31 3.998 -1.063 10.058 206 HB1 ALA 31 3HB ALA 31 4.576 -4.066 10.012 207 HB2 ALA 31 1HB ALA 31 5.774 -2.763 9.710 208 HB3 ALA 31 2HB ALA 31 5.005 -2.918 11.325 209 H VAL 32 H VAL 32 4.032 -0.184 8.038 210 HA VAL 32 HA VAL 32 2.956 -1.855 5.888 211 HB VAL 32 HB VAL 32 3.300 1.184 6.083 212 HG11 VAL 32 1HG1 VAL 32 1.926 1.244 4.026 213 HG12 VAL 32 2HG1 VAL 32 3.474 0.370 3.771 214 HG13 VAL 32 3HG1 VAL 32 1.945 -0.551 3.966 215 HG21 VAL 32 3HG2 VAL 32 1.573 0.331 7.609 216 HG22 VAL 32 1HG2 VAL 32 0.830 1.221 6.237 217 HG23 VAL 32 2HG2 VAL 32 0.809 -0.575 6.259 218 H HIS 33 H HIS 33 4.407 -2.697 4.425 219 HA HIS 33 HA HIS 33 6.898 -1.170 4.009 220 HB2 HIS 33 2HB HIS 33 6.468 -4.192 3.829 221 HB3 HIS 33 3HB HIS 33 7.985 -3.335 3.531 222 HD2 HIS 33 HD2 HIS 33 5.956 -4.788 6.496 223 HE1 HIS 33 HE1 HIS 33 9.279 -2.647 8.139 224 H ALA 34 H ALA 34 6.532 -0.055 2.092 225 HA ALA 34 HA ALA 34 5.274 -1.559 -0.096 226 HB1 ALA 34 3HB ALA 34 5.879 1.416 0.271 227 HB2 ALA 34 1HB ALA 34 5.060 0.680 -1.148 228 HB3 ALA 34 2HB ALA 34 4.280 0.622 0.468 229 H ASP 35 H ASP 35 6.478 -2.324 -1.789 230 HA ASP 35 HA ASP 35 9.078 -1.009 -2.251 231 HB2 ASP 35 2HB ASP 35 9.437 -3.226 -1.250 232 HB3 ASP 35 3HB ASP 35 8.356 -3.973 -2.434 233 HA PRO 36 HA PRO 36 6.719 -0.561 -6.100 234 HB2 PRO 36 2HB PRO 36 7.968 1.767 -6.903 235 HB3 PRO 36 3HB PRO 36 6.731 1.810 -5.640 236 HG2 PRO 36 2HG PRO 36 9.755 1.781 -5.346 237 HG3 PRO 36 3HG PRO 36 8.571 2.802 -4.519 238 HD2 PRO 36 2HD PRO 36 9.619 0.578 -3.324 239 HD3 PRO 36 3HD PRO 36 7.961 1.103 -3.001 240 H ALA 37 H ALA 37 10.204 -0.881 -5.567 241 HA ALA 37 HA ALA 37 10.813 -1.393 -8.292 242 HB1 ALA 37 3HB ALA 37 12.080 -2.387 -5.692 243 HB2 ALA 37 1HB ALA 37 12.808 -2.512 -7.329 244 HB3 ALA 37 2HB ALA 37 12.525 -0.899 -6.593 245 H SER 38 H SER 38 9.593 -3.462 -5.563 246 HA SER 38 HA SER 38 9.361 -5.695 -7.439 247 HB2 SER 38 2HB SER 38 8.659 -5.402 -4.483 248 HB3 SER 38 3HB SER 38 8.542 -6.896 -5.423 249 HG SER 38 HG SER 38 10.763 -5.633 -4.323 250 H ARG 39 H ARG 39 7.595 -2.881 -6.669 251 HA ARG 39 HA ARG 39 5.563 -2.222 -7.207 252 HB2 ARG 39 2HB ARG 39 5.445 -4.764 -8.851 253 HB3 ARG 39 3HB ARG 39 4.296 -3.423 -8.939 254 HG2 ARG 39 2HG ARG 39 6.053 -1.903 -9.710 255 HG3 ARG 39 3HG ARG 39 7.281 -3.157 -9.496 256 HD2 ARG 39 2HD ARG 39 6.064 -4.542 -11.186 257 HD3 ARG 39 3HD ARG 39 4.984 -3.169 -11.462 258 HE ARG 39 HE ARG 39 7.664 -2.295 -11.786 259 HH11 ARG 39 1HH1 ARG 39 5.344 -4.410 -13.365 260 HH12 ARG 39 2HH1 ARG 39 6.004 -4.146 -14.944 261 HH21 ARG 39 1HH2 ARG 39 8.507 -1.975 -13.812 262 HH22 ARG 39 2HH2 ARG 39 7.821 -2.748 -15.203 263 H THR 40 H THR 40 5.949 -3.808 -4.725 264 HA THR 40 HA THR 40 3.246 -4.914 -4.508 265 HB THR 40 HB THR 40 5.822 -6.234 -3.498 266 HG1 THR 40 HG1 THR 40 3.915 -7.469 -5.250 267 HG21 THR 40 3HG2 THR 40 2.894 -7.091 -3.265 268 HG22 THR 40 1HG2 THR 40 4.317 -8.056 -2.747 269 HG23 THR 40 2HG2 THR 40 3.937 -6.506 -1.924 270 H VAL 41 H VAL 41 2.196 -4.351 -2.581 271 HA VAL 41 HA VAL 41 3.904 -3.119 -0.528 272 HB VAL 41 HB VAL 41 0.934 -2.681 -1.129 273 HG11 VAL 41 1HG1 VAL 41 1.077 -0.905 0.590 274 HG12 VAL 41 2HG1 VAL 41 1.424 -2.529 1.275 275 HG13 VAL 41 3HG1 VAL 41 2.771 -1.388 0.941 276 HG21 VAL 41 3HG2 VAL 41 2.408 -1.640 -2.798 277 HG22 VAL 41 1HG2 VAL 41 1.644 -0.394 -1.755 278 HG23 VAL 41 2HG2 VAL 41 3.358 -0.859 -1.490 279 H VAL 42 H VAL 42 4.061 -4.226 1.405 280 HA VAL 42 HA VAL 42 1.962 -6.218 1.926 281 HB VAL 42 HB VAL 42 4.912 -6.205 2.748 282 HG11 VAL 42 1HG1 VAL 42 4.442 -8.441 3.702 283 HG12 VAL 42 2HG1 VAL 42 3.489 -7.153 4.515 284 HG13 VAL 42 3HG1 VAL 42 2.700 -8.233 3.317 285 HG21 VAL 42 3HG2 VAL 42 4.559 -6.779 0.383 286 HG22 VAL 42 1HG2 VAL 42 5.058 -8.225 1.324 287 HG23 VAL 42 2HG2 VAL 42 3.338 -8.011 0.852 288 H VAL 43 H VAL 43 0.764 -5.946 3.799 289 HA VAL 43 HA VAL 43 1.860 -4.040 5.750 290 HB VAL 43 HB VAL 43 -1.058 -4.668 5.065 291 HG11 VAL 43 1HG1 VAL 43 -1.595 -2.834 6.637 292 HG12 VAL 43 2HG1 VAL 43 -0.758 -4.195 7.457 293 HG13 VAL 43 3HG1 VAL 43 0.145 -2.694 7.061 294 HG21 VAL 43 3HG2 VAL 43 0.057 -3.309 3.346 295 HG22 VAL 43 1HG2 VAL 43 -1.125 -2.323 4.272 296 HG23 VAL 43 2HG2 VAL 43 0.633 -2.166 4.606 297 H GLY 44 H GLY 44 2.371 -4.943 7.734 298 HA2 GLY 44 2HA GLY 44 1.856 -7.734 8.103 299 HA3 GLY 44 3HA GLY 44 2.721 -6.634 9.185 300 H GLY 45 H GLY 45 0.661 -8.754 9.841 301 HA2 GLY 45 2HA GLY 45 -0.753 -8.816 11.632 302 HA3 GLY 45 3HA GLY 45 -0.878 -7.052 11.614 303 H VAL 46 H VAL 46 -2.703 -6.087 10.695 304 HA VAL 46 HA VAL 46 -4.220 -7.618 8.759 305 HB VAL 46 HB VAL 46 -5.154 -8.336 10.956 306 HG11 VAL 46 1HG1 VAL 46 -6.343 -6.694 12.375 307 HG12 VAL 46 2HG1 VAL 46 -4.585 -6.338 12.269 308 HG13 VAL 46 3HG1 VAL 46 -5.757 -5.364 11.319 309 HG21 VAL 46 3HG2 VAL 46 -6.622 -8.198 8.991 310 HG22 VAL 46 1HG2 VAL 46 -7.515 -7.764 10.488 311 HG23 VAL 46 2HG2 VAL 46 -6.974 -6.476 9.360 312 H SER 47 H SER 47 -5.525 -6.265 7.397 313 HA SER 47 HA SER 47 -5.711 -3.438 8.093 314 HB2 SER 47 2HB SER 47 -3.542 -3.639 6.929 315 HB3 SER 47 3HB SER 47 -4.319 -4.493 5.589 316 HG SER 47 HG SER 47 -5.542 -2.624 5.118 317 H ASP 48 H ASP 48 -7.574 -2.481 7.257 318 HA ASP 48 HA ASP 48 -9.517 -4.106 6.000 319 HB2 ASP 48 2HB ASP 48 -9.994 -2.112 7.423 320 HB3 ASP 48 3HB ASP 48 -9.265 -1.065 6.198 321 H ALA 49 H ALA 49 -9.259 -4.932 3.949 322 HA ALA 49 HA ALA 49 -7.432 -3.874 2.110 323 HB1 ALA 49 3HB ALA 49 -9.850 -5.703 1.708 324 HB2 ALA 49 1HB ALA 49 -8.515 -5.457 0.532 325 HB3 ALA 49 2HB ALA 49 -8.181 -6.221 2.122 326 H ALA 50 H ALA 50 -10.888 -3.137 2.712 327 HA ALA 50 HA ALA 50 -11.443 -1.912 0.256 328 HB1 ALA 50 3HB ALA 50 -12.476 -1.316 3.073 329 HB2 ALA 50 1HB ALA 50 -13.230 -0.760 1.541 330 HB3 ALA 50 2HB ALA 50 -13.157 -2.514 1.921 331 H HIS 51 H HIS 51 -9.974 -0.580 3.313 332 HA HIS 51 HA HIS 51 -9.838 2.066 2.296 333 HB2 HIS 51 2HB HIS 51 -8.390 0.600 4.552 334 HB3 HIS 51 3HB HIS 51 -8.156 2.319 4.208 335 HD2 HIS 51 HD2 HIS 51 -11.743 2.221 3.599 336 HE1 HIS 51 HE1 HIS 51 -11.512 2.265 7.873 337 H ILE 52 H ILE 52 -7.597 -0.782 2.255 338 HA ILE 52 HA ILE 52 -5.347 0.557 1.338 339 HB ILE 52 HB ILE 52 -6.357 -2.279 0.788 340 HG12 ILE 52 2HG1 ILE 52 -5.996 -1.720 3.172 341 HG13 ILE 52 3HG1 ILE 52 -4.856 -2.937 2.585 342 HG21 ILE 52 1HG2 ILE 52 -4.012 -2.807 0.207 343 HG22 ILE 52 2HG2 ILE 52 -4.726 -1.604 -0.920 344 HG23 ILE 52 3HG2 ILE 52 -3.587 -1.069 0.361 345 HD11 ILE 52 3HD1 ILE 52 -4.261 0.034 2.948 346 HD12 ILE 52 1HD1 ILE 52 -3.736 -1.301 4.029 347 HD13 ILE 52 2HD1 ILE 52 -3.103 -1.202 2.352 348 H ALA 53 H ALA 53 -8.165 -0.867 -0.488 349 HA ALA 53 HA ALA 53 -7.063 -0.399 -3.041 350 HB1 ALA 53 3HB ALA 53 -9.962 -0.630 -2.092 351 HB2 ALA 53 1HB ALA 53 -9.407 -0.731 -3.797 352 HB3 ALA 53 2HB ALA 53 -8.901 -1.983 -2.612 353 H GLU 54 H GLU 54 -9.107 1.633 -0.837 354 HA GLU 54 HA GLU 54 -9.651 3.620 -2.759 355 HB2 GLU 54 2HB GLU 54 -9.556 3.599 0.290 356 HB3 GLU 54 3HB GLU 54 -10.029 5.026 -0.641 357 HG2 GLU 54 2HG GLU 54 -11.945 3.844 -1.600 358 HG3 GLU 54 3HG GLU 54 -11.424 2.316 -0.877 359 H ILE 55 H ILE 55 -6.954 3.184 -0.360 360 HA ILE 55 HA ILE 55 -5.871 5.740 -0.758 361 HB ILE 55 HB ILE 55 -4.697 3.096 0.225 362 HG12 ILE 55 2HG1 ILE 55 -5.311 5.678 1.729 363 HG13 ILE 55 3HG1 ILE 55 -6.483 4.366 1.551 364 HG21 ILE 55 1HG2 ILE 55 -2.751 4.399 1.016 365 HG22 ILE 55 2HG2 ILE 55 -2.888 4.424 -0.775 366 HG23 ILE 55 3HG2 ILE 55 -3.393 5.856 0.184 367 HD11 ILE 55 3HD1 ILE 55 -3.740 4.138 2.870 368 HD12 ILE 55 1HD1 ILE 55 -5.325 4.229 3.710 369 HD13 ILE 55 2HD1 ILE 55 -4.930 2.805 2.689 370 H ILE 56 H ILE 56 -5.046 2.488 -2.226 371 HA ILE 56 HA ILE 56 -2.885 3.515 -3.704 372 HB ILE 56 HB ILE 56 -4.604 1.003 -3.987 373 HG12 ILE 56 2HG1 ILE 56 -1.723 1.363 -3.044 374 HG13 ILE 56 3HG1 ILE 56 -3.114 1.331 -1.952 375 HG21 ILE 56 1HG2 ILE 56 -2.857 0.149 -5.515 376 HG22 ILE 56 2HG2 ILE 56 -3.688 1.592 -6.188 377 HG23 ILE 56 3HG2 ILE 56 -2.047 1.751 -5.477 378 HD11 ILE 56 3HD1 ILE 56 -2.268 -0.923 -3.829 379 HD12 ILE 56 1HD1 ILE 56 -2.017 -0.862 -2.051 380 HD13 ILE 56 2HD1 ILE 56 -3.681 -0.956 -2.720 381 H THR 57 H THR 57 -6.389 2.935 -4.506 382 HA THR 57 HA THR 57 -6.194 3.624 -7.203 383 HB THR 57 HB THR 57 -8.497 3.945 -5.208 384 HG1 THR 57 HG1 THR 57 -8.331 1.792 -5.407 385 HG21 THR 57 3HG2 THR 57 -8.502 3.995 -8.267 386 HG22 THR 57 1HG2 THR 57 -9.955 4.006 -7.211 387 HG23 THR 57 2HG2 THR 57 -8.814 5.393 -7.183 388 H ALA 58 H ALA 58 -6.622 5.644 -4.214 389 HA ALA 58 HA ALA 58 -7.112 8.063 -5.577 390 HB1 ALA 58 3HB ALA 58 -5.845 7.493 -2.853 391 HB2 ALA 58 1HB ALA 58 -6.459 9.086 -3.411 392 HB3 ALA 58 2HB ALA 58 -7.595 7.713 -3.187 393 H ALA 59 H ALA 59 -4.098 6.250 -4.862 394 HA ALA 59 HA ALA 59 -2.395 8.437 -5.588 395 HB1 ALA 59 3HB ALA 59 -1.929 5.419 -5.428 396 HB2 ALA 59 1HB ALA 59 -0.652 6.668 -5.615 397 HB3 ALA 59 2HB ALA 59 -1.641 6.611 -4.117 398 H GLY 60 H GLY 60 -4.484 6.325 -7.407 399 HA2 GLY 60 2HA GLY 60 -4.960 6.820 -9.603 400 HA3 GLY 60 3HA GLY 60 -3.388 7.609 -9.786 401 H TYR 61 H TYR 61 -3.175 4.508 -8.183 402 HA TYR 61 HA TYR 61 -2.462 3.264 -10.764 403 HB2 TYR 61 2HB TYR 61 -1.130 2.845 -8.044 404 HB3 TYR 61 3HB TYR 61 -0.673 2.074 -9.568 405 HD1 TYR 61 HD1 TYR 61 -0.015 3.716 -11.532 406 HD2 TYR 61 HD2 TYR 61 -0.048 4.816 -7.384 407 HE1 TYR 61 HE1 TYR 61 1.534 5.582 -12.019 408 HE2 TYR 61 HE2 TYR 61 1.501 6.687 -7.863 409 HH TYR 61 HH TYR 61 3.390 7.030 -9.947 410 H THR 62 H THR 62 -4.726 2.434 -10.795 411 HA THR 62 HA THR 62 -6.006 1.082 -8.860 412 HB THR 62 HB THR 62 -5.793 0.235 -11.798 413 HG1 THR 62 HG1 THR 62 -7.699 1.622 -11.987 414 HG21 THR 62 3HG2 THR 62 -7.975 -0.236 -9.709 415 HG22 THR 62 1HG2 THR 62 -8.066 -0.684 -11.446 416 HG23 THR 62 2HG2 THR 62 -6.860 -1.476 -10.376 417 HA PRO 63 HA PRO 63 -3.199 -2.299 -8.035 418 HB2 PRO 63 2HB PRO 63 -4.559 -3.316 -5.864 419 HB3 PRO 63 3HB PRO 63 -3.699 -1.777 -5.731 420 HG2 PRO 63 2HG PRO 63 -6.657 -2.272 -6.218 421 HG3 PRO 63 3HG PRO 63 -5.893 -1.142 -5.092 422 HD2 PRO 63 2HD PRO 63 -6.839 -0.318 -7.522 423 HD3 PRO 63 3HD PRO 63 -5.423 0.437 -6.779 424 H GLU 64 H GLU 64 -3.000 -4.527 -8.308 425 HA GLU 64 HA GLU 64 -4.822 -5.733 -10.053 426 HB2 GLU 64 2HB GLU 64 -2.431 -6.370 -9.761 427 HB3 GLU 64 3HB GLU 64 -2.788 -6.977 -8.139 428 HG2 GLU 64 2HG GLU 64 -4.309 -8.693 -9.101 429 HG3 GLU 64 3HG GLU 64 -3.995 -8.073 -10.728 Start of MODEL 12 1 H ALA 1 1H ALA 1 3.806 -12.766 6.981 2 HA ALA 1 HA ALA 1 2.536 -12.631 8.971 3 HB1 ALA 1 3HB ALA 1 3.439 -9.947 7.816 4 HB2 ALA 1 1HB ALA 1 3.159 -10.300 9.555 5 HB3 ALA 1 2HB ALA 1 4.474 -11.142 8.668 6 H GLY 2 H GLY 2 1.448 -10.123 6.516 7 HA2 GLY 2 2HA GLY 2 -1.210 -10.325 7.809 8 HA3 GLY 2 3HA GLY 2 -0.486 -8.780 7.345 9 H LEU 3 H LEU 3 -1.058 -7.965 5.349 10 HA LEU 3 HA LEU 3 -2.148 -9.914 3.411 11 HB2 LEU 3 2HB LEU 3 -2.844 -6.970 3.859 12 HB3 LEU 3 3HB LEU 3 -3.519 -8.004 2.593 13 HG LEU 3 HG LEU 3 -3.881 -8.436 5.606 14 HD11 LEU 3 1HD1 LEU 3 -6.214 -7.768 5.169 15 HD12 LEU 3 2HD1 LEU 3 -5.065 -6.448 4.768 16 HD13 LEU 3 3HD1 LEU 3 -5.799 -7.429 3.455 17 HD21 LEU 3 3HD2 LEU 3 -3.865 -10.538 4.312 18 HD22 LEU 3 1HD2 LEU 3 -5.518 -10.148 4.896 19 HD23 LEU 3 2HD2 LEU 3 -5.081 -9.856 3.179 20 H SER 4 H SER 4 -1.685 -9.556 1.141 21 HA SER 4 HA SER 4 0.582 -7.713 0.696 22 HB2 SER 4 2HB SER 4 1.376 -10.030 0.746 23 HB3 SER 4 3HB SER 4 0.109 -10.527 -0.384 24 HG SER 4 HG SER 4 2.143 -10.177 -1.432 25 H PHE 5 H PHE 5 0.374 -6.317 -1.029 26 HA PHE 5 HA PHE 5 -1.853 -6.861 -2.886 27 HB2 PHE 5 2HB PHE 5 -1.042 -4.155 -1.716 28 HB3 PHE 5 3HB PHE 5 -2.335 -4.445 -2.888 29 HD1 PHE 5 HD1 PHE 5 -1.303 -4.790 0.638 30 HD2 PHE 5 HD2 PHE 5 -4.453 -5.457 -2.208 31 HE1 PHE 5 HE1 PHE 5 -2.905 -5.141 2.491 32 HE2 PHE 5 HE2 PHE 5 -6.054 -5.804 -0.353 33 HZ PHE 5 HZ PHE 5 -5.282 -5.651 2.002 34 H HIS 6 H HIS 6 -1.479 -6.309 -5.081 35 HA HIS 6 HA HIS 6 1.345 -5.650 -5.626 36 HB2 HIS 6 2HB HIS 6 -0.527 -7.528 -7.153 37 HB3 HIS 6 3HB HIS 6 1.135 -7.131 -7.609 38 HD2 HIS 6 HD2 HIS 6 -0.771 -9.614 -5.351 39 HE1 HIS 6 HE1 HIS 6 3.389 -9.991 -4.414 40 H VAL 7 H VAL 7 1.651 -3.816 -6.837 41 HA VAL 7 HA VAL 7 -0.573 -3.007 -8.571 42 HB VAL 7 HB VAL 7 1.131 -1.141 -6.840 43 HG11 VAL 7 1HG1 VAL 7 -0.471 0.591 -7.588 44 HG12 VAL 7 2HG1 VAL 7 0.415 -0.141 -8.968 45 HG13 VAL 7 3HG1 VAL 7 -1.284 -0.620 -8.636 46 HG21 VAL 7 3HG2 VAL 7 -0.424 -2.450 -5.460 47 HG22 VAL 7 1HG2 VAL 7 -0.953 -0.738 -5.568 48 HG23 VAL 7 2HG2 VAL 7 -1.785 -1.998 -6.540 49 H GLU 8 H GLU 8 0.282 -3.312 -10.630 50 HA GLU 8 HA GLU 8 3.093 -3.406 -11.008 51 HB2 GLU 8 2HB GLU 8 0.692 -3.435 -12.892 52 HB3 GLU 8 3HB GLU 8 2.360 -3.573 -13.463 53 HG2 GLU 8 2HG GLU 8 0.957 -5.495 -11.541 54 HG3 GLU 8 3HG GLU 8 1.282 -5.788 -13.255 55 H ASP 9 H ASP 9 0.600 -0.855 -11.423 56 HA ASP 9 HA ASP 9 2.258 0.616 -13.281 57 HB2 ASP 9 2HB ASP 9 -0.439 1.113 -11.943 58 HB3 ASP 9 3HB ASP 9 0.345 2.306 -12.987 59 H MET 10 H MET 10 2.246 0.224 -9.878 60 HA MET 10 HA MET 10 2.328 2.930 -9.055 61 HB2 MET 10 2HB MET 10 1.755 0.996 -7.599 62 HB3 MET 10 3HB MET 10 3.406 0.382 -7.758 63 HG2 MET 10 2HG MET 10 4.310 2.329 -6.589 64 HG3 MET 10 3HG MET 10 2.724 3.112 -6.569 65 HE1 MET 10 3HE MET 10 4.769 0.137 -4.167 66 HE2 MET 10 1HE MET 10 3.512 -0.966 -4.821 67 HE3 MET 10 2HE MET 10 4.558 -0.030 -5.942 68 H THR 11 H THR 11 3.915 4.427 -9.378 69 HA THR 11 HA THR 11 6.482 3.515 -10.310 70 HB THR 11 HB THR 11 6.969 5.937 -10.551 71 HG1 THR 11 HG1 THR 11 5.051 6.151 -8.663 72 HG21 THR 11 3HG2 THR 11 4.187 5.149 -11.553 73 HG22 THR 11 1HG2 THR 11 5.206 6.475 -12.209 74 HG23 THR 11 2HG2 THR 11 5.750 4.769 -12.353 75 H CYS 12 H CYS 12 8.480 4.898 -9.315 76 HA CYS 12 HA CYS 12 8.460 4.161 -6.413 77 HB2 CYS 12 2HB CYS 12 10.579 4.535 -8.638 78 HB3 CYS 12 3HB CYS 12 10.907 3.912 -7.016 79 HG CYS 12 HG CYS 12 10.982 1.746 -8.829 80 H GLY 13 H GLY 13 9.123 5.582 -4.845 81 HA2 GLY 13 2HA GLY 13 10.560 7.502 -4.398 82 HA3 GLY 13 3HA GLY 13 9.885 8.265 -5.843 83 H HIS 14 H HIS 14 8.816 10.073 -4.964 84 HA HIS 14 HA HIS 14 7.069 9.878 -2.740 85 HB2 HIS 14 2HB HIS 14 7.173 11.853 -5.075 86 HB3 HIS 14 3HB HIS 14 6.212 12.067 -3.607 87 HD2 HIS 14 HD2 HIS 14 9.564 13.150 -4.893 88 HE1 HIS 14 HE1 HIS 14 9.994 13.041 -0.635 89 H CYS 15 H CYS 15 6.124 7.673 -3.650 90 HA CYS 15 HA CYS 15 3.494 8.251 -4.838 91 HB2 CYS 15 2HB CYS 15 5.074 8.046 -6.777 92 HB3 CYS 15 3HB CYS 15 5.854 6.645 -6.032 93 HG CYS 15 HG CYS 15 3.045 6.750 -7.883 94 H ALA 16 H ALA 16 5.415 5.184 -4.777 95 HA ALA 16 HA ALA 16 3.630 3.804 -3.153 96 HB1 ALA 16 3HB ALA 16 6.663 3.540 -3.436 97 HB2 ALA 16 1HB ALA 16 5.564 2.306 -2.731 98 HB3 ALA 16 2HB ALA 16 5.424 2.747 -4.466 99 H GLY 17 H GLY 17 6.335 6.054 -2.268 100 HA2 GLY 17 2HA GLY 17 6.260 5.546 0.498 101 HA3 GLY 17 3HA GLY 17 6.813 7.022 -0.303 102 H VAL 18 H VAL 18 4.321 7.806 -1.609 103 HA VAL 18 HA VAL 18 2.990 9.052 0.507 104 HB VAL 18 HB VAL 18 2.177 8.500 -2.389 105 HG11 VAL 18 1HG1 VAL 18 0.463 10.260 -2.075 106 HG12 VAL 18 2HG1 VAL 18 0.164 8.840 -1.017 107 HG13 VAL 18 3HG1 VAL 18 0.872 10.340 -0.328 108 HG21 VAL 18 3HG2 VAL 18 4.161 9.927 -2.115 109 HG22 VAL 18 1HG2 VAL 18 2.762 10.885 -2.707 110 HG23 VAL 18 2HG2 VAL 18 3.257 10.989 -0.984 111 H ILE 19 H ILE 19 2.190 6.067 -1.436 112 HA ILE 19 HA ILE 19 -0.238 5.579 -0.119 113 HB ILE 19 HB ILE 19 1.743 3.772 -1.586 114 HG12 ILE 19 2HG1 ILE 19 -1.037 4.744 -2.386 115 HG13 ILE 19 3HG1 ILE 19 0.452 5.595 -2.819 116 HG21 ILE 19 1HG2 ILE 19 -0.043 2.061 -1.612 117 HG22 ILE 19 2HG2 ILE 19 0.513 2.422 0.057 118 HG23 ILE 19 3HG2 ILE 19 -1.043 3.095 -0.536 119 HD11 ILE 19 3HD1 ILE 19 -0.251 2.727 -3.591 120 HD12 ILE 19 1HD1 ILE 19 -0.319 4.168 -4.660 121 HD13 ILE 19 2HD1 ILE 19 1.261 3.591 -4.031 122 H LYS 20 H LYS 20 3.189 4.595 0.575 123 HA LYS 20 HA LYS 20 2.638 2.702 2.538 124 HB2 LYS 20 2HB LYS 20 4.848 3.118 1.456 125 HB3 LYS 20 3HB LYS 20 4.973 4.661 2.311 126 HG2 LYS 20 2HG LYS 20 4.935 3.439 4.498 127 HG3 LYS 20 3HG LYS 20 4.845 1.902 3.628 128 HD2 LYS 20 2HD LYS 20 7.014 2.583 2.422 129 HD3 LYS 20 3HD LYS 20 7.125 3.942 3.549 130 HE2 LYS 20 2HE LYS 20 6.794 1.076 4.541 131 HE3 LYS 20 3HE LYS 20 8.386 1.732 4.139 132 HZ1 LYS 20 3HZ LYS 20 6.528 2.704 6.203 133 HZ2 LYS 20 1HZ LYS 20 8.037 2.113 6.406 134 HZ3 LYS 20 2HZ LYS 20 7.819 3.576 5.713 135 H GLY 21 H GLY 21 3.261 6.300 2.903 136 HA2 GLY 21 2HA GLY 21 2.923 6.270 5.708 137 HA3 GLY 21 3HA GLY 21 2.854 7.671 4.632 138 H ALA 22 H ALA 22 0.604 6.775 2.947 139 HA ALA 22 HA ALA 22 -1.496 7.772 4.506 140 HB1 ALA 22 3HB ALA 22 -1.515 6.144 1.916 141 HB2 ALA 22 1HB ALA 22 -2.896 7.088 2.570 142 HB3 ALA 22 2HB ALA 22 -1.398 7.931 2.048 143 H ILE 23 H ILE 23 -0.539 4.366 3.672 144 HA ILE 23 HA ILE 23 -2.829 3.233 4.872 145 HB ILE 23 HB ILE 23 -0.050 2.119 4.239 146 HG12 ILE 23 2HG1 ILE 23 -2.737 1.654 2.868 147 HG13 ILE 23 3HG1 ILE 23 -1.580 2.888 2.353 148 HG21 ILE 23 1HG2 ILE 23 -1.050 -0.118 4.556 149 HG22 ILE 23 2HG2 ILE 23 -1.055 0.838 6.077 150 HG23 ILE 23 3HG2 ILE 23 -2.570 0.647 5.131 151 HD11 ILE 23 3HD1 ILE 23 -1.050 -0.115 2.466 152 HD12 ILE 23 1HD1 ILE 23 -1.372 0.858 0.991 153 HD13 ILE 23 2HD1 ILE 23 0.125 1.138 1.942 154 H GLU 24 H GLU 24 0.531 3.978 6.066 155 HA GLU 24 HA GLU 24 0.326 2.652 8.507 156 HB2 GLU 24 2HB GLU 24 1.870 5.104 7.566 157 HB3 GLU 24 3HB GLU 24 2.032 4.471 9.209 158 HG2 GLU 24 2HG GLU 24 2.892 2.347 8.389 159 HG3 GLU 24 3HG GLU 24 2.522 2.779 6.715 160 H LYS 25 H LYS 25 -0.836 5.925 7.492 161 HA LYS 25 HA LYS 25 -1.348 6.762 10.174 162 HB2 LYS 25 2HB LYS 25 -2.156 7.782 7.417 163 HB3 LYS 25 3HB LYS 25 -2.691 8.562 8.911 164 HG2 LYS 25 2HG LYS 25 -0.298 8.928 9.561 165 HG3 LYS 25 3HG LYS 25 0.219 8.179 8.044 166 HD2 LYS 25 2HD LYS 25 -1.072 9.926 6.767 167 HD3 LYS 25 3HD LYS 25 -1.523 10.690 8.297 168 HE2 LYS 25 2HE LYS 25 0.891 11.047 8.835 169 HE3 LYS 25 3HE LYS 25 1.350 10.269 7.315 170 HZ1 LYS 25 3HZ LYS 25 -0.256 12.734 7.547 171 HZ2 LYS 25 1HZ LYS 25 1.316 12.655 7.113 172 HZ3 LYS 25 2HZ LYS 25 0.167 12.016 6.144 173 H THR 26 H THR 26 -3.289 5.176 7.557 174 HA THR 26 HA THR 26 -5.716 5.833 8.992 175 HB THR 26 HB THR 26 -6.832 4.781 7.003 176 HG1 THR 26 HG1 THR 26 -4.214 4.677 5.784 177 HG21 THR 26 3HG2 THR 26 -4.676 6.847 6.340 178 HG22 THR 26 1HG2 THR 26 -6.143 6.508 5.362 179 HG23 THR 26 2HG2 THR 26 -6.304 7.194 7.014 180 H VAL 27 H VAL 27 -3.478 3.116 8.582 181 HA VAL 27 HA VAL 27 -5.486 1.349 9.787 182 HB VAL 27 HB VAL 27 -2.820 0.698 8.429 183 HG11 VAL 27 1HG1 VAL 27 -3.582 -1.653 8.574 184 HG12 VAL 27 2HG1 VAL 27 -3.388 -0.912 10.198 185 HG13 VAL 27 3HG1 VAL 27 -5.028 -1.122 9.498 186 HG21 VAL 27 3HG2 VAL 27 -4.516 1.493 6.838 187 HG22 VAL 27 1HG2 VAL 27 -4.231 -0.269 6.640 188 HG23 VAL 27 2HG2 VAL 27 -5.701 0.313 7.493 189 HA PRO 28 HA PRO 28 -3.035 2.244 13.439 190 HB2 PRO 28 2HB PRO 28 -4.824 1.125 15.245 191 HB3 PRO 28 3HB PRO 28 -5.149 2.693 14.494 192 HG2 PRO 28 2HG PRO 28 -6.189 -0.052 13.708 193 HG3 PRO 28 3HG PRO 28 -7.077 1.471 13.853 194 HD2 PRO 28 2HD PRO 28 -6.264 0.551 11.422 195 HD3 PRO 28 3HD PRO 28 -6.297 2.285 11.770 196 H GLY 29 H GLY 29 -1.314 1.238 14.268 197 HA2 GLY 29 2HA GLY 29 -0.147 -0.374 15.305 198 HA3 GLY 29 3HA GLY 29 -1.666 -1.239 15.576 199 H ALA 30 H ALA 30 -0.326 -0.346 12.324 200 HA ALA 30 HA ALA 30 0.329 -3.199 11.948 201 HB1 ALA 30 3HB ALA 30 -0.958 -1.258 9.967 202 HB2 ALA 30 1HB ALA 30 -0.420 -2.930 9.596 203 HB3 ALA 30 2HB ALA 30 -1.759 -2.655 10.761 204 H ALA 31 H ALA 31 2.272 -3.656 10.853 205 HA ALA 31 HA ALA 31 3.979 -1.349 10.302 206 HB1 ALA 31 3HB ALA 31 4.487 -4.363 10.265 207 HB2 ALA 31 1HB ALA 31 5.725 -3.087 10.010 208 HB3 ALA 31 2HB ALA 31 4.897 -3.231 11.597 209 H VAL 32 H VAL 32 4.066 -0.455 8.290 210 HA VAL 32 HA VAL 32 3.021 -2.104 6.103 211 HB VAL 32 HB VAL 32 3.356 0.932 6.343 212 HG11 VAL 32 1HG1 VAL 32 2.027 1.016 4.256 213 HG12 VAL 32 2HG1 VAL 32 3.582 0.149 4.023 214 HG13 VAL 32 3HG1 VAL 32 2.051 -0.778 4.174 215 HG21 VAL 32 3HG2 VAL 32 1.595 0.055 7.817 216 HG22 VAL 32 1HG2 VAL 32 0.883 0.962 6.440 217 HG23 VAL 32 2HG2 VAL 32 0.866 -0.834 6.437 218 H HIS 33 H HIS 33 4.447 -2.848 4.557 219 HA HIS 33 HA HIS 33 6.930 -1.296 4.197 220 HB2 HIS 33 2HB HIS 33 6.554 -4.323 3.973 221 HB3 HIS 33 3HB HIS 33 8.050 -3.435 3.656 222 HD2 HIS 33 HD2 HIS 33 6.079 -4.924 6.651 223 HE1 HIS 33 HE1 HIS 33 9.445 -2.808 8.236 224 H ALA 34 H ALA 34 6.591 -0.171 2.288 225 HA ALA 34 HA ALA 34 5.309 -1.643 0.091 226 HB1 ALA 34 3HB ALA 34 5.913 1.330 0.497 227 HB2 ALA 34 1HB ALA 34 5.086 0.614 -0.927 228 HB3 ALA 34 2HB ALA 34 4.316 0.532 0.693 229 H ASP 35 H ASP 35 6.481 -2.341 -1.658 230 HA ASP 35 HA ASP 35 9.084 -1.028 -2.101 231 HB2 ASP 35 2HB ASP 35 9.449 -3.262 -1.128 232 HB3 ASP 35 3HB ASP 35 8.374 -3.994 -2.326 233 HA PRO 36 HA PRO 36 6.713 -0.528 -5.938 234 HB2 PRO 36 2HB PRO 36 8.015 1.776 -6.736 235 HB3 PRO 36 3HB PRO 36 6.770 1.840 -5.481 236 HG2 PRO 36 2HG PRO 36 9.791 1.754 -5.169 237 HG3 PRO 36 3HG PRO 36 8.621 2.792 -4.346 238 HD2 PRO 36 2HD PRO 36 9.620 0.550 -3.148 239 HD3 PRO 36 3HD PRO 36 7.967 1.096 -2.840 240 H ALA 37 H ALA 37 10.208 -0.870 -5.428 241 HA ALA 37 HA ALA 37 10.797 -1.370 -8.156 242 HB1 ALA 37 3HB ALA 37 12.087 -2.371 -5.571 243 HB2 ALA 37 1HB ALA 37 12.805 -2.485 -7.214 244 HB3 ALA 37 2HB ALA 37 12.519 -0.876 -6.468 245 H SER 38 H SER 38 9.582 -3.452 -5.440 246 HA SER 38 HA SER 38 9.362 -5.681 -7.322 247 HB2 SER 38 2HB SER 38 8.648 -5.393 -4.367 248 HB3 SER 38 3HB SER 38 8.529 -6.885 -5.310 249 HG SER 38 HG SER 38 10.745 -5.649 -4.185 250 H ARG 39 H ARG 39 7.588 -2.871 -6.545 251 HA ARG 39 HA ARG 39 5.558 -2.212 -7.087 252 HB2 ARG 39 2HB ARG 39 5.435 -4.751 -8.736 253 HB3 ARG 39 3HB ARG 39 4.298 -3.399 -8.828 254 HG2 ARG 39 2HG ARG 39 6.075 -1.894 -9.589 255 HG3 ARG 39 3HG ARG 39 7.288 -3.163 -9.376 256 HD2 ARG 39 2HD ARG 39 6.017 -4.530 -11.064 257 HD3 ARG 39 3HD ARG 39 5.012 -3.105 -11.361 258 HE ARG 39 HE ARG 39 7.723 -2.349 -11.652 259 HH11 ARG 39 1HH1 ARG 39 5.375 -4.424 -13.244 260 HH12 ARG 39 2HH1 ARG 39 6.083 -4.214 -14.811 261 HH21 ARG 39 1HH2 ARG 39 8.626 -2.101 -13.662 262 HH22 ARG 39 2HH2 ARG 39 7.950 -2.882 -15.052 263 H THR 40 H THR 40 5.944 -3.813 -4.614 264 HA THR 40 HA THR 40 3.237 -4.909 -4.399 265 HB THR 40 HB THR 40 5.807 -6.249 -3.399 266 HG1 THR 40 HG1 THR 40 3.892 -7.464 -5.158 267 HG21 THR 40 3HG2 THR 40 2.875 -7.091 -3.168 268 HG22 THR 40 1HG2 THR 40 4.294 -8.067 -2.659 269 HG23 THR 40 2HG2 THR 40 3.923 -6.520 -1.826 270 H VAL 41 H VAL 41 2.193 -4.349 -2.469 271 HA VAL 41 HA VAL 41 3.916 -3.166 -0.400 272 HB VAL 41 HB VAL 41 0.952 -2.668 -0.995 273 HG11 VAL 41 1HG1 VAL 41 1.129 -0.913 0.742 274 HG12 VAL 41 2HG1 VAL 41 1.449 -2.549 1.410 275 HG13 VAL 41 3HG1 VAL 41 2.815 -1.429 1.085 276 HG21 VAL 41 3HG2 VAL 41 2.440 -1.634 -2.656 277 HG22 VAL 41 1HG2 VAL 41 1.699 -0.386 -1.599 278 HG23 VAL 41 2HG2 VAL 41 3.406 -0.882 -1.342 279 H VAL 42 H VAL 42 4.046 -4.290 1.524 280 HA VAL 42 HA VAL 42 1.936 -6.284 1.993 281 HB VAL 42 HB VAL 42 4.885 -6.311 2.817 282 HG11 VAL 42 1HG1 VAL 42 4.400 -8.569 3.709 283 HG12 VAL 42 2HG1 VAL 42 3.455 -7.298 4.556 284 HG13 VAL 42 3HG1 VAL 42 2.660 -8.340 3.328 285 HG21 VAL 42 3HG2 VAL 42 4.533 -6.815 0.438 286 HG22 VAL 42 1HG2 VAL 42 5.021 -8.290 1.338 287 HG23 VAL 42 2HG2 VAL 42 3.304 -8.052 0.869 288 H VAL 43 H VAL 43 0.744 -6.058 3.878 289 HA VAL 43 HA VAL 43 1.846 -4.196 5.872 290 HB VAL 43 HB VAL 43 -1.073 -4.777 5.151 291 HG11 VAL 43 1HG1 VAL 43 -1.600 -2.972 6.764 292 HG12 VAL 43 2HG1 VAL 43 -0.783 -4.361 7.558 293 HG13 VAL 43 3HG1 VAL 43 0.139 -2.862 7.200 294 HG21 VAL 43 3HG2 VAL 43 0.070 -3.392 3.474 295 HG22 VAL 43 1HG2 VAL 43 -1.110 -2.416 4.413 296 HG23 VAL 43 2HG2 VAL 43 0.646 -2.283 4.764 297 H GLY 44 H GLY 44 2.333 -5.140 7.841 298 HA2 GLY 44 2HA GLY 44 1.775 -7.930 8.157 299 HA3 GLY 44 3HA GLY 44 2.653 -6.864 9.261 300 H GLY 45 H GLY 45 0.563 -8.959 9.882 301 HA2 GLY 45 2HA GLY 45 -0.868 -9.026 11.659 302 HA3 GLY 45 3HA GLY 45 -0.972 -7.261 11.662 303 H VAL 46 H VAL 46 -2.780 -6.264 10.744 304 HA VAL 46 HA VAL 46 -4.298 -7.762 8.777 305 HB VAL 46 HB VAL 46 -5.269 -8.448 10.972 306 HG11 VAL 46 1HG1 VAL 46 -6.444 -6.772 12.363 307 HG12 VAL 46 2HG1 VAL 46 -4.679 -6.451 12.277 308 HG13 VAL 46 3HG1 VAL 46 -5.820 -5.462 11.304 309 HG21 VAL 46 3HG2 VAL 46 -6.709 -8.293 8.985 310 HG22 VAL 46 1HG2 VAL 46 -7.613 -7.833 10.467 311 HG23 VAL 46 2HG2 VAL 46 -7.031 -6.562 9.338 312 H SER 47 H SER 47 -5.550 -6.388 7.392 313 HA SER 47 HA SER 47 -5.691 -3.555 8.077 314 HB2 SER 47 2HB SER 47 -3.512 -3.787 6.951 315 HB3 SER 47 3HB SER 47 -4.271 -4.652 5.608 316 HG SER 47 HG SER 47 -5.422 -2.168 6.245 317 H ASP 48 H ASP 48 -7.518 -2.561 7.206 318 HA ASP 48 HA ASP 48 -9.467 -4.159 5.915 319 HB2 ASP 48 2HB ASP 48 -9.942 -2.169 7.347 320 HB3 ASP 48 3HB ASP 48 -9.182 -1.123 6.139 321 H ALA 49 H ALA 49 -9.126 -4.997 3.876 322 HA ALA 49 HA ALA 49 -7.285 -3.915 2.071 323 HB1 ALA 49 3HB ALA 49 -9.684 -5.758 1.620 324 HB2 ALA 49 1HB ALA 49 -8.331 -5.499 0.469 325 HB3 ALA 49 2HB ALA 49 -8.019 -6.267 2.062 326 H ALA 50 H ALA 50 -10.755 -3.200 2.617 327 HA ALA 50 HA ALA 50 -11.263 -1.967 0.150 328 HB1 ALA 50 3HB ALA 50 -12.385 -1.418 2.943 329 HB2 ALA 50 1HB ALA 50 -13.103 -0.855 1.396 330 HB3 ALA 50 2HB ALA 50 -13.015 -2.612 1.759 331 H HIS 51 H HIS 51 -9.882 -0.659 3.254 332 HA HIS 51 HA HIS 51 -9.759 2.006 2.275 333 HB2 HIS 51 2HB HIS 51 -8.361 0.524 4.551 334 HB3 HIS 51 3HB HIS 51 -8.125 2.248 4.232 335 HD2 HIS 51 HD2 HIS 51 -11.692 2.149 3.526 336 HE1 HIS 51 HE1 HIS 51 -11.579 2.133 7.805 337 H ILE 52 H ILE 52 -7.473 -0.809 2.276 338 HA ILE 52 HA ILE 52 -5.227 0.602 1.441 339 HB ILE 52 HB ILE 52 -6.114 -2.277 0.894 340 HG12 ILE 52 2HG1 ILE 52 -5.869 -1.678 3.282 341 HG13 ILE 52 3HG1 ILE 52 -4.658 -2.855 2.757 342 HG21 ILE 52 1HG2 ILE 52 -3.730 -2.727 0.413 343 HG22 ILE 52 2HG2 ILE 52 -4.440 -1.565 -0.758 344 HG23 ILE 52 3HG2 ILE 52 -3.373 -0.973 0.560 345 HD11 ILE 52 3HD1 ILE 52 -4.196 0.141 3.105 346 HD12 ILE 52 1HD1 ILE 52 -3.664 -1.159 4.224 347 HD13 ILE 52 2HD1 ILE 52 -2.967 -1.055 2.572 348 H ALA 53 H ALA 53 -7.901 -0.974 -0.478 349 HA ALA 53 HA ALA 53 -6.722 -0.431 -2.990 350 HB1 ALA 53 3HB ALA 53 -9.629 -0.892 -2.161 351 HB2 ALA 53 1HB ALA 53 -8.998 -0.942 -3.841 352 HB3 ALA 53 2HB ALA 53 -8.445 -2.155 -2.638 353 H GLU 54 H GLU 54 -8.976 1.436 -0.852 354 HA GLU 54 HA GLU 54 -9.606 3.401 -2.764 355 HB2 GLU 54 2HB GLU 54 -10.844 2.994 -0.643 356 HB3 GLU 54 3HB GLU 54 -9.445 3.548 0.285 357 HG2 GLU 54 2HG GLU 54 -9.655 5.812 -0.685 358 HG3 GLU 54 3HG GLU 54 -10.991 5.275 -1.712 359 H ILE 55 H ILE 55 -6.917 3.139 -0.326 360 HA ILE 55 HA ILE 55 -5.938 5.727 -0.778 361 HB ILE 55 HB ILE 55 -4.661 3.154 0.260 362 HG12 ILE 55 2HG1 ILE 55 -5.375 5.746 1.705 363 HG13 ILE 55 3HG1 ILE 55 -6.490 4.381 1.563 364 HG21 ILE 55 1HG2 ILE 55 -2.765 4.548 1.020 365 HG22 ILE 55 2HG2 ILE 55 -2.903 4.526 -0.770 366 HG23 ILE 55 3HG2 ILE 55 -3.462 5.960 0.156 367 HD11 ILE 55 3HD1 ILE 55 -3.737 4.304 2.877 368 HD12 ILE 55 1HD1 ILE 55 -5.322 4.348 3.721 369 HD13 ILE 55 2HD1 ILE 55 -4.870 2.918 2.734 370 H ILE 56 H ILE 56 -5.010 2.489 -2.207 371 HA ILE 56 HA ILE 56 -2.862 3.549 -3.673 372 HB ILE 56 HB ILE 56 -4.534 1.006 -3.969 373 HG12 ILE 56 2HG1 ILE 56 -1.668 1.400 -2.996 374 HG13 ILE 56 3HG1 ILE 56 -3.067 1.383 -1.914 375 HG21 ILE 56 1HG2 ILE 56 -2.752 0.180 -5.470 376 HG22 ILE 56 2HG2 ILE 56 -3.598 1.607 -6.158 377 HG23 ILE 56 3HG2 ILE 56 -1.970 1.796 -5.424 378 HD11 ILE 56 3HD1 ILE 56 -2.208 -0.897 -3.752 379 HD12 ILE 56 1HD1 ILE 56 -1.969 -0.811 -1.974 380 HD13 ILE 56 2HD1 ILE 56 -3.628 -0.915 -2.654 381 H THR 57 H THR 57 -6.347 2.887 -4.514 382 HA THR 57 HA THR 57 -6.123 3.584 -7.207 383 HB THR 57 HB THR 57 -8.474 3.819 -5.255 384 HG1 THR 57 HG1 THR 57 -7.983 1.661 -5.457 385 HG21 THR 57 3HG2 THR 57 -8.423 3.865 -8.314 386 HG22 THR 57 1HG2 THR 57 -9.896 3.823 -7.287 387 HG23 THR 57 2HG2 THR 57 -8.807 5.251 -7.239 388 H ALA 58 H ALA 58 -6.664 5.577 -4.222 389 HA ALA 58 HA ALA 58 -7.254 7.973 -5.574 390 HB1 ALA 58 3HB ALA 58 -5.966 7.452 -2.851 391 HB2 ALA 58 1HB ALA 58 -6.649 9.018 -3.405 392 HB3 ALA 58 2HB ALA 58 -7.724 7.596 -3.188 393 H ALA 59 H ALA 59 -4.164 6.292 -4.868 394 HA ALA 59 HA ALA 59 -2.565 8.569 -5.567 395 HB1 ALA 59 3HB ALA 59 -1.945 5.578 -5.391 396 HB2 ALA 59 1HB ALA 59 -0.732 6.891 -5.566 397 HB3 ALA 59 2HB ALA 59 -1.735 6.788 -4.080 398 H GLY 60 H GLY 60 -4.535 6.381 -7.409 399 HA2 GLY 60 2HA GLY 60 -4.995 6.888 -9.614 400 HA3 GLY 60 3HA GLY 60 -3.426 7.686 -9.776 401 H TYR 61 H TYR 61 -3.182 4.603 -8.158 402 HA TYR 61 HA TYR 61 -2.502 3.326 -10.731 403 HB2 TYR 61 2HB TYR 61 -1.134 2.942 -8.025 404 HB3 TYR 61 3HB TYR 61 -0.700 2.149 -9.545 405 HD1 TYR 61 HD1 TYR 61 0.035 3.686 -11.516 406 HD2 TYR 61 HD2 TYR 61 -0.137 4.994 -7.433 407 HE1 TYR 61 HE1 TYR 61 1.579 5.544 -12.051 408 HE2 TYR 61 HE2 TYR 61 1.405 6.856 -7.960 409 HH TYR 61 HH TYR 61 3.370 7.082 -10.073 410 H THR 62 H THR 62 -4.792 2.527 -10.690 411 HA THR 62 HA THR 62 -6.028 1.202 -8.715 412 HB THR 62 HB THR 62 -5.904 0.325 -11.650 413 HG1 THR 62 HG1 THR 62 -7.798 1.731 -11.802 414 HG21 THR 62 3HG2 THR 62 -8.034 -0.103 -9.499 415 HG22 THR 62 1HG2 THR 62 -8.176 -0.566 -11.228 416 HG23 THR 62 2HG2 THR 62 -6.950 -1.360 -10.184 417 HA PRO 63 HA PRO 63 -3.225 -2.195 -7.932 418 HB2 PRO 63 2HB PRO 63 -4.542 -3.184 -5.719 419 HB3 PRO 63 3HB PRO 63 -3.655 -1.657 -5.618 420 HG2 PRO 63 2HG PRO 63 -6.634 -2.108 -6.025 421 HG3 PRO 63 3HG PRO 63 -5.823 -0.983 -4.926 422 HD2 PRO 63 2HD PRO 63 -6.820 -0.155 -7.333 423 HD3 PRO 63 3HD PRO 63 -5.367 0.576 -6.638 424 H GLU 64 H GLU 64 -3.060 -4.430 -8.185 425 HA GLU 64 HA GLU 64 -4.940 -5.604 -9.901 426 HB2 GLU 64 2HB GLU 64 -2.540 -6.250 -9.688 427 HB3 GLU 64 3HB GLU 64 -2.856 -6.884 -8.067 428 HG2 GLU 64 2HG GLU 64 -4.404 -8.579 -9.011 429 HG3 GLU 64 3HG GLU 64 -4.149 -7.928 -10.635 Start of MODEL 13 1 H ALA 1 1H ALA 1 3.368 -12.715 6.838 2 HA ALA 1 HA ALA 1 1.969 -12.831 8.733 3 HB1 ALA 1 3HB ALA 1 2.992 -10.029 8.058 4 HB2 ALA 1 1HB ALA 1 2.586 -10.629 9.702 5 HB3 ALA 1 2HB ALA 1 3.947 -11.363 8.788 6 H GLY 2 H GLY 2 1.024 -10.148 6.432 7 HA2 GLY 2 2HA GLY 2 -1.660 -10.308 7.675 8 HA3 GLY 2 3HA GLY 2 -0.889 -8.775 7.245 9 H LEU 3 H LEU 3 -1.345 -7.926 5.227 10 HA LEU 3 HA LEU 3 -2.493 -9.811 3.261 11 HB2 LEU 3 2HB LEU 3 -3.101 -6.852 3.735 12 HB3 LEU 3 3HB LEU 3 -3.792 -7.848 2.448 13 HG LEU 3 HG LEU 3 -4.204 -8.322 5.449 14 HD11 LEU 3 1HD1 LEU 3 -6.502 -7.542 5.011 15 HD12 LEU 3 2HD1 LEU 3 -5.293 -6.263 4.652 16 HD13 LEU 3 3HD1 LEU 3 -6.057 -7.179 3.309 17 HD21 LEU 3 3HD2 LEU 3 -4.267 -10.390 4.101 18 HD22 LEU 3 1HD2 LEU 3 -5.906 -9.945 4.683 19 HD23 LEU 3 2HD2 LEU 3 -5.442 -9.627 2.977 20 H SER 4 H SER 4 -2.007 -9.412 0.992 21 HA SER 4 HA SER 4 0.343 -7.664 0.607 22 HB2 SER 4 2HB SER 4 1.062 -10.005 0.690 23 HB3 SER 4 3HB SER 4 -0.184 -10.467 -0.476 24 HG SER 4 HG SER 4 1.889 -10.181 -1.463 25 H PHE 5 H PHE 5 0.229 -6.278 -1.136 26 HA PHE 5 HA PHE 5 -1.941 -6.777 -3.066 27 HB2 PHE 5 2HB PHE 5 -1.164 -4.078 -1.863 28 HB3 PHE 5 3HB PHE 5 -2.426 -4.370 -3.067 29 HD1 PHE 5 HD1 PHE 5 -1.481 -4.734 0.484 30 HD2 PHE 5 HD2 PHE 5 -4.564 -5.356 -2.442 31 HE1 PHE 5 HE1 PHE 5 -3.133 -5.082 2.296 32 HE2 PHE 5 HE2 PHE 5 -6.214 -5.702 -0.630 33 HZ PHE 5 HZ PHE 5 -5.501 -5.565 1.743 34 H HIS 6 H HIS 6 -1.461 -6.257 -5.236 35 HA HIS 6 HA HIS 6 1.349 -5.468 -5.669 36 HB2 HIS 6 2HB HIS 6 0.895 -7.872 -6.160 37 HB3 HIS 6 3HB HIS 6 -0.395 -7.402 -7.274 38 HD2 HIS 6 HD2 HIS 6 0.461 -7.100 -9.859 39 HE1 HIS 6 HE1 HIS 6 4.641 -6.673 -9.042 40 H VAL 7 H VAL 7 1.664 -3.655 -6.923 41 HA VAL 7 HA VAL 7 -0.632 -2.811 -8.555 42 HB VAL 7 HB VAL 7 1.408 -1.077 -7.067 43 HG11 VAL 7 1HG1 VAL 7 0.041 0.828 -7.859 44 HG12 VAL 7 2HG1 VAL 7 0.763 -0.091 -9.223 45 HG13 VAL 7 3HG1 VAL 7 -0.973 -0.304 -8.816 46 HG21 VAL 7 3HG2 VAL 7 -0.267 -2.079 -5.572 47 HG22 VAL 7 1HG2 VAL 7 -0.552 -0.316 -5.758 48 HG23 VAL 7 2HG2 VAL 7 -1.588 -1.491 -6.636 49 H GLU 8 H GLU 8 -0.123 -3.080 -10.717 50 HA GLU 8 HA GLU 8 2.502 -3.757 -11.467 51 HB2 GLU 8 2HB GLU 8 -0.013 -3.021 -13.030 52 HB3 GLU 8 3HB GLU 8 1.492 -3.517 -13.816 53 HG2 GLU 8 2HG GLU 8 1.405 -5.703 -12.635 54 HG3 GLU 8 3HG GLU 8 -0.077 -5.209 -11.807 55 H ASP 9 H ASP 9 0.752 -0.641 -11.354 56 HA ASP 9 HA ASP 9 2.889 0.577 -12.971 57 HB2 ASP 9 2HB ASP 9 0.052 1.401 -12.231 58 HB3 ASP 9 3HB ASP 9 1.223 2.562 -12.872 59 H MET 10 H MET 10 3.242 -0.295 -10.098 60 HA MET 10 HA MET 10 2.987 2.019 -8.457 61 HB2 MET 10 2HB MET 10 3.031 -0.344 -7.642 62 HB3 MET 10 3HB MET 10 4.712 -0.488 -8.172 63 HG2 MET 10 2HG MET 10 5.480 1.080 -6.529 64 HG3 MET 10 3HG MET 10 3.839 1.640 -6.177 65 HE1 MET 10 3HE MET 10 4.108 0.758 -3.083 66 HE2 MET 10 1HE MET 10 5.640 -0.175 -3.168 67 HE3 MET 10 2HE MET 10 5.463 1.349 -4.101 68 H THR 11 H THR 11 4.135 3.885 -8.799 69 HA THR 11 HA THR 11 6.658 3.893 -10.068 70 HB THR 11 HB THR 11 6.745 6.271 -9.304 71 HG1 THR 11 HG1 THR 11 4.595 6.931 -8.216 72 HG21 THR 11 3HG2 THR 11 4.017 5.387 -10.370 73 HG22 THR 11 1HG2 THR 11 4.706 7.042 -10.483 74 HG23 THR 11 2HG2 THR 11 5.494 5.680 -11.349 75 H CYS 12 H CYS 12 8.625 5.053 -8.869 76 HA CYS 12 HA CYS 12 8.898 3.978 -6.080 77 HB2 CYS 12 2HB CYS 12 10.860 4.464 -8.425 78 HB3 CYS 12 3HB CYS 12 11.287 3.745 -6.867 79 HG CYS 12 HG CYS 12 11.233 1.689 -8.805 80 H GLY 13 H GLY 13 9.556 5.375 -4.505 81 HA2 GLY 13 2HA GLY 13 11.002 7.135 -3.875 82 HA3 GLY 13 3HA GLY 13 10.725 7.917 -5.437 83 H HIS 14 H HIS 14 9.917 9.927 -4.732 84 HA HIS 14 HA HIS 14 7.920 9.999 -2.656 85 HB2 HIS 14 2HB HIS 14 9.066 12.161 -4.494 86 HB3 HIS 14 3HB HIS 14 7.967 12.461 -3.141 87 HD2 HIS 14 HD2 HIS 14 11.702 12.338 -3.781 88 HE1 HIS 14 HE1 HIS 14 11.218 11.714 0.425 89 H CYS 15 H CYS 15 6.542 8.414 -4.170 90 HA CYS 15 HA CYS 15 4.382 10.088 -5.256 91 HB2 CYS 15 2HB CYS 15 6.172 9.683 -7.076 92 HB3 CYS 15 3HB CYS 15 6.024 7.946 -6.776 93 HG CYS 15 HG CYS 15 4.623 8.978 -9.179 94 H ALA 16 H ALA 16 5.191 6.615 -5.872 95 HA ALA 16 HA ALA 16 2.884 5.627 -4.663 96 HB1 ALA 16 3HB ALA 16 5.658 4.377 -4.973 97 HB2 ALA 16 1HB ALA 16 4.144 3.487 -4.598 98 HB3 ALA 16 2HB ALA 16 4.326 4.325 -6.177 99 H GLY 17 H GLY 17 5.966 6.766 -3.218 100 HA2 GLY 17 2HA GLY 17 5.805 5.624 -0.714 101 HA3 GLY 17 3HA GLY 17 6.424 7.240 -1.079 102 H VAL 18 H VAL 18 3.764 8.240 -2.148 103 HA VAL 18 HA VAL 18 2.619 9.162 0.197 104 HB VAL 18 HB VAL 18 1.474 8.808 -2.617 105 HG11 VAL 18 1HG1 VAL 18 -0.276 10.423 -1.939 106 HG12 VAL 18 2HG1 VAL 18 -0.366 8.902 -0.989 107 HG13 VAL 18 3HG1 VAL 18 0.343 10.379 -0.254 108 HG21 VAL 18 3HG2 VAL 18 3.400 10.325 -2.453 109 HG22 VAL 18 1HG2 VAL 18 1.891 11.241 -2.782 110 HG23 VAL 18 2HG2 VAL 18 2.592 11.229 -1.128 111 H ILE 19 H ILE 19 1.883 6.213 -1.783 112 HA ILE 19 HA ILE 19 -0.498 5.568 -0.462 113 HB ILE 19 HB ILE 19 1.585 3.885 -1.934 114 HG12 ILE 19 2HG1 ILE 19 -1.235 4.725 -2.739 115 HG13 ILE 19 3HG1 ILE 19 0.215 5.643 -3.165 116 HG21 ILE 19 1HG2 ILE 19 -0.109 2.083 -1.984 117 HG22 ILE 19 2HG2 ILE 19 0.417 2.459 -0.309 118 HG23 ILE 19 3HG2 ILE 19 -1.168 3.055 -0.907 119 HD11 ILE 19 3HD1 ILE 19 -0.358 2.750 -3.951 120 HD12 ILE 19 1HD1 ILE 19 -0.488 4.191 -5.015 121 HD13 ILE 19 2HD1 ILE 19 1.114 3.682 -4.384 122 H LYS 20 H LYS 20 2.971 4.652 0.184 123 HA LYS 20 HA LYS 20 2.446 2.765 2.167 124 HB2 LYS 20 2HB LYS 20 4.631 3.120 1.029 125 HB3 LYS 20 3HB LYS 20 4.803 4.684 1.835 126 HG2 LYS 20 2HG LYS 20 4.844 3.544 4.052 127 HG3 LYS 20 3HG LYS 20 4.654 1.977 3.254 128 HD2 LYS 20 2HD LYS 20 6.790 2.489 1.936 129 HD3 LYS 20 3HD LYS 20 7.001 3.921 2.952 130 HE2 LYS 20 2HE LYS 20 6.603 1.166 4.194 131 HE3 LYS 20 3HE LYS 20 8.198 1.687 3.635 132 HZ1 LYS 20 3HZ LYS 20 6.549 2.902 5.741 133 HZ2 LYS 20 1HZ LYS 20 8.065 2.306 5.857 134 HZ3 LYS 20 2HZ LYS 20 7.798 3.710 5.066 135 H GLY 21 H GLY 21 3.124 6.358 2.487 136 HA2 GLY 21 2HA GLY 21 2.911 6.359 5.297 137 HA3 GLY 21 3HA GLY 21 2.776 7.748 4.210 138 H ALA 22 H ALA 22 0.452 6.859 2.655 139 HA ALA 22 HA ALA 22 -1.587 7.795 4.329 140 HB1 ALA 22 3HB ALA 22 -1.703 6.203 1.720 141 HB2 ALA 22 1HB ALA 22 -3.068 7.110 2.457 142 HB3 ALA 22 2HB ALA 22 -1.615 7.991 1.874 143 H ILE 23 H ILE 23 -0.587 4.423 3.419 144 HA ILE 23 HA ILE 23 -2.796 3.207 4.678 145 HB ILE 23 HB ILE 23 0.001 2.220 3.939 146 HG12 ILE 23 2HG1 ILE 23 -2.732 1.594 2.731 147 HG13 ILE 23 3HG1 ILE 23 -1.664 2.868 2.130 148 HG21 ILE 23 1HG2 ILE 23 -0.853 -0.067 4.340 149 HG22 ILE 23 2HG2 ILE 23 -0.826 0.911 5.847 150 HG23 ILE 23 3HG2 ILE 23 -2.379 0.622 4.991 151 HD11 ILE 23 3HD1 ILE 23 -0.991 -0.106 2.264 152 HD12 ILE 23 1HD1 ILE 23 -1.439 0.822 0.793 153 HD13 ILE 23 2HD1 ILE 23 0.095 1.189 1.654 154 H GLU 24 H GLU 24 0.571 4.044 5.799 155 HA GLU 24 HA GLU 24 0.478 2.690 8.224 156 HB2 GLU 24 2HB GLU 24 1.887 5.230 7.298 157 HB3 GLU 24 3HB GLU 24 2.128 4.558 8.916 158 HG2 GLU 24 2HG GLU 24 3.039 2.488 7.997 159 HG3 GLU 24 3HG GLU 24 2.620 2.974 6.349 160 H LYS 25 H LYS 25 -0.881 5.905 7.281 161 HA LYS 25 HA LYS 25 -1.313 6.734 9.970 162 HB2 LYS 25 2HB LYS 25 -2.352 7.643 7.252 163 HB3 LYS 25 3HB LYS 25 -2.856 8.411 8.764 164 HG2 LYS 25 2HG LYS 25 -0.448 8.939 9.265 165 HG3 LYS 25 3HG LYS 25 0.011 8.231 7.711 166 HD2 LYS 25 2HD LYS 25 -1.480 9.881 6.538 167 HD3 LYS 25 3HD LYS 25 -1.888 10.605 8.099 168 HE2 LYS 25 2HE LYS 25 0.522 11.143 8.485 169 HE3 LYS 25 3HE LYS 25 0.939 10.406 6.933 170 HZ1 LYS 25 3HZ LYS 25 -0.829 12.741 7.285 171 HZ2 LYS 25 1HZ LYS 25 0.713 12.782 6.750 172 HZ3 LYS 25 2HZ LYS 25 -0.444 12.060 5.852 173 H THR 26 H THR 26 -3.271 4.929 7.521 174 HA THR 26 HA THR 26 -5.664 5.474 9.066 175 HB THR 26 HB THR 26 -6.828 4.359 7.165 176 HG1 THR 26 HG1 THR 26 -4.294 4.275 5.786 177 HG21 THR 26 3HG2 THR 26 -4.760 6.444 6.311 178 HG22 THR 26 1HG2 THR 26 -6.269 6.035 5.427 179 HG23 THR 26 2HG2 THR 26 -6.357 6.780 7.059 180 H VAL 27 H VAL 27 -3.257 2.930 8.651 181 HA VAL 27 HA VAL 27 -5.108 1.004 9.854 182 HB VAL 27 HB VAL 27 -2.359 0.602 8.565 183 HG11 VAL 27 1HG1 VAL 27 -2.895 -1.809 8.709 184 HG12 VAL 27 2HG1 VAL 27 -2.811 -1.045 10.332 185 HG13 VAL 27 3HG1 VAL 27 -4.407 -1.416 9.595 186 HG21 VAL 27 3HG2 VAL 27 -4.085 1.221 6.928 187 HG22 VAL 27 1HG2 VAL 27 -3.628 -0.506 6.751 188 HG23 VAL 27 2HG2 VAL 27 -5.167 -0.064 7.564 189 HA PRO 28 HA PRO 28 -2.858 2.121 13.555 190 HB2 PRO 28 2HB PRO 28 -4.583 0.877 15.329 191 HB3 PRO 28 3HB PRO 28 -5.050 2.377 14.516 192 HG2 PRO 28 2HG PRO 28 -5.760 -0.486 13.789 193 HG3 PRO 28 3HG PRO 28 -6.813 0.933 13.862 194 HD2 PRO 28 2HD PRO 28 -5.817 0.037 11.487 195 HD3 PRO 28 3HD PRO 28 -6.070 1.763 11.777 196 H GLY 29 H GLY 29 -1.108 1.299 14.536 197 HA2 GLY 29 2HA GLY 29 0.255 -0.213 15.475 198 HA3 GLY 29 3HA GLY 29 -1.219 -1.049 15.979 199 H ALA 30 H ALA 30 0.267 -0.521 12.670 200 HA ALA 30 HA ALA 30 0.820 -3.391 12.569 201 HB1 ALA 30 3HB ALA 30 -0.825 -1.858 10.498 202 HB2 ALA 30 1HB ALA 30 -0.216 -3.538 10.319 203 HB3 ALA 30 2HB ALA 30 -1.426 -3.152 11.589 204 H ALA 31 H ALA 31 2.476 -3.961 11.011 205 HA ALA 31 HA ALA 31 4.205 -1.690 10.413 206 HB1 ALA 31 3HB ALA 31 4.598 -4.714 10.189 207 HB2 ALA 31 1HB ALA 31 5.857 -3.468 9.894 208 HB3 ALA 31 2HB ALA 31 5.155 -3.664 11.535 209 H VAL 32 H VAL 32 4.153 -0.694 8.448 210 HA VAL 32 HA VAL 32 2.968 -2.228 6.247 211 HB VAL 32 HB VAL 32 3.335 0.790 6.624 212 HG11 VAL 32 1HG1 VAL 32 1.922 0.991 4.599 213 HG12 VAL 32 2HG1 VAL 32 3.461 0.132 4.257 214 HG13 VAL 32 3HG1 VAL 32 1.933 -0.796 4.421 215 HG21 VAL 32 3HG2 VAL 32 1.630 -0.159 8.119 216 HG22 VAL 32 1HG2 VAL 32 0.868 0.824 6.823 217 HG23 VAL 32 2HG2 VAL 32 0.840 -0.969 6.725 218 H HIS 33 H HIS 33 4.350 -2.978 4.673 219 HA HIS 33 HA HIS 33 6.862 -1.476 4.295 220 HB2 HIS 33 2HB HIS 33 6.407 -4.492 4.067 221 HB3 HIS 33 3HB HIS 33 7.925 -3.643 3.746 222 HD2 HIS 33 HD2 HIS 33 5.911 -5.064 6.753 223 HE1 HIS 33 HE1 HIS 33 9.367 -3.079 8.316 224 H ALA 34 H ALA 34 6.536 -0.336 2.394 225 HA ALA 34 HA ALA 34 5.302 -1.802 0.164 226 HB1 ALA 34 3HB ALA 34 5.943 1.161 0.569 227 HB2 ALA 34 1HB ALA 34 5.152 0.448 -0.877 228 HB3 ALA 34 2HB ALA 34 4.327 0.391 0.718 229 H ASP 35 H ASP 35 6.551 -2.597 -1.481 230 HA ASP 35 HA ASP 35 9.250 -1.430 -1.758 231 HB2 ASP 35 2HB ASP 35 9.303 -3.770 -0.977 232 HB3 ASP 35 3HB ASP 35 8.246 -4.265 -2.306 233 HA PRO 36 HA PRO 36 7.166 -0.323 -5.635 234 HB2 PRO 36 2HB PRO 36 8.775 1.864 -6.163 235 HB3 PRO 36 3HB PRO 36 7.479 1.971 -4.964 236 HG2 PRO 36 2HG PRO 36 10.446 1.485 -4.526 237 HG3 PRO 36 3HG PRO 36 9.364 2.589 -3.666 238 HD2 PRO 36 2HD PRO 36 10.016 0.154 -2.623 239 HD3 PRO 36 3HD PRO 36 8.419 0.864 -2.356 240 H ALA 37 H ALA 37 10.569 -1.123 -5.026 241 HA ALA 37 HA ALA 37 11.236 -1.420 -7.768 242 HB1 ALA 37 3HB ALA 37 12.297 -2.787 -5.246 243 HB2 ALA 37 1HB ALA 37 13.076 -2.820 -6.864 244 HB3 ALA 37 2HB ALA 37 12.917 -1.267 -5.975 245 H SER 38 H SER 38 9.712 -3.616 -5.308 246 HA SER 38 HA SER 38 9.374 -5.636 -7.401 247 HB2 SER 38 2HB SER 38 8.591 -5.560 -4.451 248 HB3 SER 38 3HB SER 38 8.370 -6.941 -5.532 249 HG SER 38 HG SER 38 10.654 -6.014 -4.251 250 H ARG 39 H ARG 39 7.828 -2.761 -6.456 251 HA ARG 39 HA ARG 39 5.838 -1.906 -6.868 252 HB2 ARG 39 2HB ARG 39 5.596 -4.177 -8.857 253 HB3 ARG 39 3HB ARG 39 4.535 -2.765 -8.769 254 HG2 ARG 39 2HG ARG 39 6.556 -1.300 -9.156 255 HG3 ARG 39 3HG ARG 39 7.517 -2.765 -9.394 256 HD2 ARG 39 2HD ARG 39 5.812 -3.384 -11.201 257 HD3 ARG 39 3HD ARG 39 5.246 -1.714 -11.072 258 HE ARG 39 HE ARG 39 8.061 -1.705 -11.449 259 HH11 ARG 39 1HH1 ARG 39 5.133 -2.494 -13.222 260 HH12 ARG 39 2HH1 ARG 39 5.815 -2.081 -14.760 261 HH21 ARG 39 1HH2 ARG 39 8.927 -1.192 -13.427 262 HH22 ARG 39 2HH2 ARG 39 7.993 -1.334 -14.878 263 H THR 40 H THR 40 6.010 -3.697 -4.582 264 HA THR 40 HA THR 40 3.258 -4.686 -4.565 265 HB THR 40 HB THR 40 5.702 -6.257 -3.587 266 HG1 THR 40 HG1 THR 40 5.453 -6.320 -5.898 267 HG21 THR 40 3HG2 THR 40 2.725 -6.957 -3.626 268 HG22 THR 40 1HG2 THR 40 4.059 -8.056 -3.138 269 HG23 THR 40 2HG2 THR 40 3.709 -6.584 -2.170 270 H VAL 41 H VAL 41 2.180 -4.281 -2.614 271 HA VAL 41 HA VAL 41 3.866 -3.164 -0.479 272 HB VAL 41 HB VAL 41 0.933 -2.600 -1.159 273 HG11 VAL 41 1HG1 VAL 41 1.093 -0.863 0.599 274 HG12 VAL 41 2HG1 VAL 41 1.359 -2.511 1.262 275 HG13 VAL 41 3HG1 VAL 41 2.756 -1.417 0.989 276 HG21 VAL 41 3HG2 VAL 41 2.492 -1.583 -2.765 277 HG22 VAL 41 1HG2 VAL 41 1.745 -0.329 -1.718 278 HG23 VAL 41 2HG2 VAL 41 3.433 -0.863 -1.415 279 H VAL 42 H VAL 42 3.913 -4.307 1.436 280 HA VAL 42 HA VAL 42 1.718 -6.223 1.851 281 HB VAL 42 HB VAL 42 4.648 -6.376 2.732 282 HG11 VAL 42 1HG1 VAL 42 4.050 -8.614 3.609 283 HG12 VAL 42 2HG1 VAL 42 3.142 -7.306 4.440 284 HG13 VAL 42 3HG1 VAL 42 2.329 -8.312 3.194 285 HG21 VAL 42 3HG2 VAL 42 4.322 -6.863 0.345 286 HG22 VAL 42 1HG2 VAL 42 4.730 -8.358 1.252 287 HG23 VAL 42 2HG2 VAL 42 3.034 -8.047 0.749 288 H VAL 43 H VAL 43 0.511 -5.974 3.723 289 HA VAL 43 HA VAL 43 1.670 -4.206 5.765 290 HB VAL 43 HB VAL 43 -1.266 -4.715 5.055 291 HG11 VAL 43 1HG1 VAL 43 -1.754 -2.961 6.731 292 HG12 VAL 43 2HG1 VAL 43 -0.956 -4.390 7.471 293 HG13 VAL 43 3HG1 VAL 43 -0.012 -2.893 7.161 294 HG21 VAL 43 3HG2 VAL 43 -0.113 -3.291 3.416 295 HG22 VAL 43 1HG2 VAL 43 -1.269 -2.329 4.398 296 HG23 VAL 43 2HG2 VAL 43 0.492 -2.237 4.739 297 H GLY 44 H GLY 44 2.194 -5.241 7.678 298 HA2 GLY 44 2HA GLY 44 1.506 -8.026 7.911 299 HA3 GLY 44 3HA GLY 44 2.535 -7.064 8.980 300 H GLY 45 H GLY 45 0.412 -9.031 9.751 301 HA2 GLY 45 2HA GLY 45 -0.850 -9.048 11.651 302 HA3 GLY 45 3HA GLY 45 -0.867 -7.280 11.673 303 H VAL 46 H VAL 46 -2.791 -6.270 11.147 304 HA VAL 46 HA VAL 46 -4.585 -7.729 9.350 305 HB VAL 46 HB VAL 46 -5.359 -6.405 11.998 306 HG11 VAL 46 1HG1 VAL 46 -7.662 -7.132 11.449 307 HG12 VAL 46 2HG1 VAL 46 -7.027 -5.958 10.247 308 HG13 VAL 46 3HG1 VAL 46 -7.093 -7.707 9.846 309 HG21 VAL 46 3HG2 VAL 46 -4.370 -8.638 12.275 310 HG22 VAL 46 1HG2 VAL 46 -6.132 -8.673 12.617 311 HG23 VAL 46 2HG2 VAL 46 -5.507 -9.306 11.057 312 H SER 47 H SER 47 -5.708 -6.394 7.875 313 HA SER 47 HA SER 47 -5.788 -3.528 8.380 314 HB2 SER 47 2HB SER 47 -3.609 -3.835 7.282 315 HB3 SER 47 3HB SER 47 -4.363 -4.776 5.988 316 HG SER 47 HG SER 47 -5.383 -2.178 6.545 317 H ASP 48 H ASP 48 -7.611 -2.576 7.452 318 HA ASP 48 HA ASP 48 -9.530 -4.230 6.166 319 HB2 ASP 48 2HB ASP 48 -10.056 -2.224 7.560 320 HB3 ASP 48 3HB ASP 48 -9.291 -1.188 6.348 321 H ALA 49 H ALA 49 -9.053 -5.112 4.159 322 HA ALA 49 HA ALA 49 -7.189 -3.967 2.408 323 HB1 ALA 49 3HB ALA 49 -9.432 -5.985 1.914 324 HB2 ALA 49 1HB ALA 49 -8.049 -5.666 0.814 325 HB3 ALA 49 2HB ALA 49 -7.758 -6.362 2.444 326 H ALA 50 H ALA 50 -10.739 -3.518 2.745 327 HA ALA 50 HA ALA 50 -11.218 -2.376 0.239 328 HB1 ALA 50 3HB ALA 50 -12.475 -1.808 2.970 329 HB2 ALA 50 1HB ALA 50 -13.168 -1.343 1.380 330 HB3 ALA 50 2HB ALA 50 -12.986 -3.078 1.806 331 H HIS 51 H HIS 51 -10.007 -0.897 3.337 332 HA HIS 51 HA HIS 51 -10.056 1.745 2.301 333 HB2 HIS 51 2HB HIS 51 -8.606 0.407 4.633 334 HB3 HIS 51 3HB HIS 51 -8.460 2.133 4.277 335 HD2 HIS 51 HD2 HIS 51 -12.012 1.764 3.513 336 HE1 HIS 51 HE1 HIS 51 -11.961 1.949 7.790 337 H ILE 52 H ILE 52 -7.576 -0.897 2.386 338 HA ILE 52 HA ILE 52 -5.424 0.663 1.556 339 HB ILE 52 HB ILE 52 -6.069 -2.286 1.046 340 HG12 ILE 52 2HG1 ILE 52 -5.980 -1.665 3.430 341 HG13 ILE 52 3HG1 ILE 52 -4.631 -2.714 2.974 342 HG21 ILE 52 1HG2 ILE 52 -3.639 -2.551 0.672 343 HG22 ILE 52 2HG2 ILE 52 -4.388 -1.464 -0.546 344 HG23 ILE 52 3HG2 ILE 52 -3.428 -0.772 0.806 345 HD11 ILE 52 3HD1 ILE 52 -4.498 0.317 3.309 346 HD12 ILE 52 1HD1 ILE 52 -3.887 -0.914 4.466 347 HD13 ILE 52 2HD1 ILE 52 -3.128 -0.749 2.847 348 H ALA 53 H ALA 53 -7.978 -1.111 -0.343 349 HA ALA 53 HA ALA 53 -6.823 -0.600 -2.864 350 HB1 ALA 53 3HB ALA 53 -9.723 -1.085 -2.021 351 HB2 ALA 53 1HB ALA 53 -9.090 -1.173 -3.700 352 HB3 ALA 53 2HB ALA 53 -8.518 -2.342 -2.462 353 H GLU 54 H GLU 54 -9.132 1.282 -0.793 354 HA GLU 54 HA GLU 54 -9.718 3.222 -2.755 355 HB2 GLU 54 2HB GLU 54 -9.745 3.210 0.296 356 HB3 GLU 54 3HB GLU 54 -10.249 4.615 -0.652 357 HG2 GLU 54 2HG GLU 54 -12.061 3.340 -1.694 358 HG3 GLU 54 3HG GLU 54 -11.499 1.841 -0.943 359 H ILE 55 H ILE 55 -7.068 2.932 -0.291 360 HA ILE 55 HA ILE 55 -6.109 5.542 -0.646 361 HB ILE 55 HB ILE 55 -4.820 2.945 0.313 362 HG12 ILE 55 2HG1 ILE 55 -5.545 5.480 1.846 363 HG13 ILE 55 3HG1 ILE 55 -6.668 4.130 1.638 364 HG21 ILE 55 1HG2 ILE 55 -2.937 4.326 1.133 365 HG22 ILE 55 2HG2 ILE 55 -3.062 4.362 -0.658 366 HG23 ILE 55 3HG2 ILE 55 -3.637 5.761 0.311 367 HD11 ILE 55 3HD1 ILE 55 -3.930 3.981 2.977 368 HD12 ILE 55 1HD1 ILE 55 -5.524 4.004 3.804 369 HD13 ILE 55 2HD1 ILE 55 -5.071 2.610 2.766 370 H ILE 56 H ILE 56 -5.120 2.361 -2.165 371 HA ILE 56 HA ILE 56 -2.982 3.515 -3.585 372 HB ILE 56 HB ILE 56 -4.569 0.928 -3.953 373 HG12 ILE 56 2HG1 ILE 56 -1.742 1.393 -2.905 374 HG13 ILE 56 3HG1 ILE 56 -3.166 1.301 -1.860 375 HG21 ILE 56 1HG2 ILE 56 -2.727 0.189 -5.431 376 HG22 ILE 56 2HG2 ILE 56 -3.601 1.603 -6.110 377 HG23 ILE 56 3HG2 ILE 56 -1.997 1.827 -5.334 378 HD11 ILE 56 3HD1 ILE 56 -2.181 -0.902 -3.727 379 HD12 ILE 56 1HD1 ILE 56 -1.989 -0.850 -1.942 380 HD13 ILE 56 2HD1 ILE 56 -3.627 -0.996 -2.666 381 H THR 57 H THR 57 -6.435 2.755 -4.469 382 HA THR 57 HA THR 57 -6.209 3.482 -7.152 383 HB THR 57 HB THR 57 -8.586 3.637 -5.225 384 HG1 THR 57 HG1 THR 57 -8.018 1.494 -5.428 385 HG21 THR 57 3HG2 THR 57 -8.502 3.694 -8.281 386 HG22 THR 57 1HG2 THR 57 -9.984 3.605 -7.271 387 HG23 THR 57 2HG2 THR 57 -8.939 5.065 -7.207 388 H ALA 58 H ALA 58 -6.845 5.437 -4.160 389 HA ALA 58 HA ALA 58 -7.514 7.816 -5.515 390 HB1 ALA 58 3HB ALA 58 -6.266 7.333 -2.766 391 HB2 ALA 58 1HB ALA 58 -7.003 8.871 -3.326 392 HB3 ALA 58 2HB ALA 58 -8.021 7.403 -3.141 393 H ALA 59 H ALA 59 -4.377 6.248 -4.783 394 HA ALA 59 HA ALA 59 -2.858 8.599 -5.429 395 HB1 ALA 59 3HB ALA 59 -2.118 5.636 -5.257 396 HB2 ALA 59 1HB ALA 59 -0.958 7.000 -5.405 397 HB3 ALA 59 2HB ALA 59 -1.981 6.846 -3.937 398 H GLY 60 H GLY 60 -4.722 6.366 -7.319 399 HA2 GLY 60 2HA GLY 60 -5.165 6.925 -9.522 400 HA3 GLY 60 3HA GLY 60 -3.593 7.725 -9.652 401 H TYR 61 H TYR 61 -3.272 4.663 -8.062 402 HA TYR 61 HA TYR 61 -2.614 3.392 -10.644 403 HB2 TYR 61 2HB TYR 61 -1.147 3.066 -7.981 404 HB3 TYR 61 3HB TYR 61 -0.721 2.311 -9.523 405 HD1 TYR 61 HD1 TYR 61 -0.157 3.932 -11.506 406 HD2 TYR 61 HD2 TYR 61 -0.192 5.128 -7.383 407 HE1 TYR 61 HE1 TYR 61 1.282 5.867 -12.058 408 HE2 TYR 61 HE2 TYR 61 1.243 7.069 -7.930 409 HH TYR 61 HH TYR 61 2.714 7.880 -9.542 410 H THR 62 H THR 62 -4.917 2.561 -10.457 411 HA THR 62 HA THR 62 -5.987 1.245 -8.375 412 HB THR 62 HB THR 62 -6.117 0.369 -11.309 413 HG1 THR 62 HG1 THR 62 -8.014 1.779 -11.299 414 HG21 THR 62 3HG2 THR 62 -8.056 -0.052 -8.982 415 HG22 THR 62 1HG2 THR 62 -8.348 -0.516 -10.693 416 HG23 THR 62 2HG2 THR 62 -7.039 -1.314 -9.757 417 HA PRO 63 HA PRO 63 -3.210 -2.208 -7.833 418 HB2 PRO 63 2HB PRO 63 -4.378 -3.224 -5.559 419 HB3 PRO 63 3HB PRO 63 -3.510 -1.685 -5.489 420 HG2 PRO 63 2HG PRO 63 -6.499 -2.179 -5.722 421 HG3 PRO 63 3HG PRO 63 -5.641 -1.053 -4.662 422 HD2 PRO 63 2HD PRO 63 -6.796 -0.236 -7.012 423 HD3 PRO 63 3HD PRO 63 -5.341 0.539 -6.369 424 H GLU 64 H GLU 64 -3.100 -4.480 -8.030 425 HA GLU 64 HA GLU 64 -5.034 -5.639 -9.679 426 HB2 GLU 64 2HB GLU 64 -2.660 -6.376 -9.440 427 HB3 GLU 64 3HB GLU 64 -3.003 -6.942 -7.800 428 HG2 GLU 64 2HG GLU 64 -4.634 -8.594 -8.702 429 HG3 GLU 64 3HG GLU 64 -4.319 -8.018 -10.344 Start of MODEL 14 1 H ALA 1 1H ALA 1 3.924 -12.605 6.130 2 HA ALA 1 HA ALA 1 2.850 -12.449 8.232 3 HB1 ALA 1 3HB ALA 1 3.510 -9.775 6.903 4 HB2 ALA 1 1HB ALA 1 3.419 -10.072 8.672 5 HB3 ALA 1 2HB ALA 1 4.678 -10.891 7.687 6 H GLY 2 H GLY 2 1.466 -9.938 5.928 7 HA2 GLY 2 2HA GLY 2 -1.096 -10.353 7.352 8 HA3 GLY 2 3HA GLY 2 -0.464 -8.740 6.997 9 H LEU 3 H LEU 3 -1.066 -7.781 5.062 10 HA LEU 3 HA LEU 3 -2.314 -9.574 3.078 11 HB2 LEU 3 2HB LEU 3 -2.727 -6.593 3.622 12 HB3 LEU 3 3HB LEU 3 -3.536 -7.529 2.358 13 HG LEU 3 HG LEU 3 -3.826 -8.021 5.371 14 HD11 LEU 3 1HD1 LEU 3 -6.098 -7.112 5.050 15 HD12 LEU 3 2HD1 LEU 3 -4.840 -5.897 4.644 16 HD13 LEU 3 3HD1 LEU 3 -5.716 -6.756 3.332 17 HD21 LEU 3 3HD2 LEU 3 -4.065 -10.065 4.008 18 HD22 LEU 3 1HD2 LEU 3 -5.648 -9.540 4.674 19 HD23 LEU 3 2HD2 LEU 3 -5.251 -9.227 2.951 20 H SER 4 H SER 4 -1.852 -9.242 0.814 21 HA SER 4 HA SER 4 0.512 -7.536 0.327 22 HB2 SER 4 2HB SER 4 1.168 -9.897 0.351 23 HB3 SER 4 3HB SER 4 -0.148 -10.311 -0.755 24 HG SER 4 HG SER 4 0.989 -9.622 -2.409 25 H PHE 5 H PHE 5 0.298 -6.075 -1.329 26 HA PHE 5 HA PHE 5 -1.927 -6.545 -3.211 27 HB2 PHE 5 2HB PHE 5 -0.972 -3.872 -2.074 28 HB3 PHE 5 3HB PHE 5 -2.266 -4.102 -3.257 29 HD1 PHE 5 HD1 PHE 5 -1.276 -4.599 0.281 30 HD2 PHE 5 HD2 PHE 5 -4.466 -4.839 -2.586 31 HE1 PHE 5 HE1 PHE 5 -2.917 -4.837 2.123 32 HE2 PHE 5 HE2 PHE 5 -6.104 -5.073 -0.745 33 HZ PHE 5 HZ PHE 5 -5.331 -5.074 1.613 34 H HIS 6 H HIS 6 -1.520 -6.018 -5.415 35 HA HIS 6 HA HIS 6 1.340 -5.539 -5.960 36 HB2 HIS 6 2HB HIS 6 -0.588 -7.416 -7.414 37 HB3 HIS 6 3HB HIS 6 1.092 -7.105 -7.870 38 HD2 HIS 6 HD2 HIS 6 -0.926 -9.419 -5.539 39 HE1 HIS 6 HE1 HIS 6 3.202 -9.879 -4.501 40 H VAL 7 H VAL 7 1.725 -3.781 -7.259 41 HA VAL 7 HA VAL 7 -0.533 -2.876 -8.908 42 HB VAL 7 HB VAL 7 1.500 -1.175 -7.375 43 HG11 VAL 7 1HG1 VAL 7 0.177 0.750 -8.193 44 HG12 VAL 7 2HG1 VAL 7 0.914 -0.177 -9.543 45 HG13 VAL 7 3HG1 VAL 7 -0.833 -0.366 -9.172 46 HG21 VAL 7 3HG2 VAL 7 -0.217 -2.156 -5.916 47 HG22 VAL 7 1HG2 VAL 7 -0.474 -0.389 -6.106 48 HG23 VAL 7 2HG2 VAL 7 -1.509 -1.548 -7.006 49 H GLU 8 H GLU 8 0.024 -3.191 -11.051 50 HA GLU 8 HA GLU 8 2.690 -3.764 -11.777 51 HB2 GLU 8 2HB GLU 8 0.154 -3.155 -13.361 52 HB3 GLU 8 3HB GLU 8 1.688 -3.583 -14.131 53 HG2 GLU 8 2HG GLU 8 1.693 -5.770 -12.982 54 HG3 GLU 8 3HG GLU 8 0.216 -5.342 -12.108 55 H ASP 9 H ASP 9 0.769 -0.738 -11.717 56 HA ASP 9 HA ASP 9 2.745 0.554 -13.453 57 HB2 ASP 9 2HB ASP 9 0.048 1.458 -12.334 58 HB3 ASP 9 3HB ASP 9 1.093 2.454 -13.355 59 H MET 10 H MET 10 3.144 -0.310 -10.465 60 HA MET 10 HA MET 10 3.100 2.110 -8.965 61 HB2 MET 10 2HB MET 10 2.940 -0.141 -7.958 62 HB3 MET 10 3HB MET 10 4.549 -0.550 -8.567 63 HG2 MET 10 2HG MET 10 4.667 0.008 -6.193 64 HG3 MET 10 3HG MET 10 5.558 1.206 -7.140 65 HE1 MET 10 3HE MET 10 2.168 1.390 -4.386 66 HE2 MET 10 1HE MET 10 1.271 1.510 -5.937 67 HE3 MET 10 2HE MET 10 2.385 0.131 -5.648 68 H THR 11 H THR 11 4.375 3.853 -9.546 69 HA THR 11 HA THR 11 7.083 3.407 -10.401 70 HB THR 11 HB THR 11 7.252 5.871 -10.331 71 HG1 THR 11 HG1 THR 11 5.334 7.084 -9.671 72 HG21 THR 11 3HG2 THR 11 4.605 4.898 -11.518 73 HG22 THR 11 1HG2 THR 11 5.467 6.408 -11.967 74 HG23 THR 11 2HG2 THR 11 6.216 4.811 -12.307 75 H CYS 12 H CYS 12 8.825 4.901 -9.114 76 HA CYS 12 HA CYS 12 8.700 3.921 -6.280 77 HB2 CYS 12 2HB CYS 12 10.140 2.700 -8.022 78 HB3 CYS 12 3HB CYS 12 10.896 4.243 -8.440 79 HG CYS 12 HG CYS 12 12.712 2.765 -6.859 80 H GLY 13 H GLY 13 9.160 5.329 -4.664 81 HA2 GLY 13 2HA GLY 13 10.663 7.220 -4.108 82 HA3 GLY 13 3HA GLY 13 10.033 8.017 -5.556 83 H HIS 14 H HIS 14 9.006 9.811 -4.569 84 HA HIS 14 HA HIS 14 7.250 9.541 -2.368 85 HB2 HIS 14 2HB HIS 14 7.440 11.662 -4.564 86 HB3 HIS 14 3HB HIS 14 6.482 11.818 -3.086 87 HD2 HIS 14 HD2 HIS 14 9.881 12.846 -4.290 88 HE1 HIS 14 HE1 HIS 14 10.293 12.418 -0.050 89 H CYS 15 H CYS 15 6.202 7.447 -3.417 90 HA CYS 15 HA CYS 15 3.569 8.271 -4.452 91 HB2 CYS 15 2HB CYS 15 5.178 7.995 -6.417 92 HB3 CYS 15 3HB CYS 15 5.663 6.418 -5.781 93 HG CYS 15 HG CYS 15 3.931 6.069 -8.020 94 H ALA 16 H ALA 16 5.298 5.084 -4.511 95 HA ALA 16 HA ALA 16 3.437 3.795 -2.882 96 HB1 ALA 16 3HB ALA 16 6.427 3.288 -3.281 97 HB2 ALA 16 1HB ALA 16 5.253 2.129 -2.572 98 HB3 ALA 16 2HB ALA 16 5.092 2.632 -4.288 99 H GLY 17 H GLY 17 6.320 5.818 -2.033 100 HA2 GLY 17 2HA GLY 17 6.264 5.292 0.732 101 HA3 GLY 17 3HA GLY 17 6.886 6.740 -0.069 102 H VAL 18 H VAL 18 4.472 7.734 -1.314 103 HA VAL 18 HA VAL 18 3.201 8.968 0.849 104 HB VAL 18 HB VAL 18 2.406 8.620 -2.083 105 HG11 VAL 18 1HG1 VAL 18 0.791 10.457 -1.702 106 HG12 VAL 18 2HG1 VAL 18 0.390 9.003 -0.728 107 HG13 VAL 18 3HG1 VAL 18 1.169 10.420 0.053 108 HG21 VAL 18 3HG2 VAL 18 4.464 9.908 -1.698 109 HG22 VAL 18 1HG2 VAL 18 3.136 10.978 -2.261 110 HG23 VAL 18 2HG2 VAL 18 3.601 10.960 -0.526 111 H ILE 19 H ILE 19 2.316 6.081 -1.177 112 HA ILE 19 HA ILE 19 -0.222 5.743 -0.015 113 HB ILE 19 HB ILE 19 1.710 3.843 -1.428 114 HG12 ILE 19 2HG1 ILE 19 -0.967 5.000 -2.327 115 HG13 ILE 19 3HG1 ILE 19 0.588 5.769 -2.671 116 HG21 ILE 19 1HG2 ILE 19 -0.172 2.246 -1.575 117 HG22 ILE 19 2HG2 ILE 19 0.328 2.536 0.126 118 HG23 ILE 19 3HG2 ILE 19 -1.157 3.314 -0.519 119 HD11 ILE 19 3HD1 ILE 19 -0.247 2.966 -3.546 120 HD12 ILE 19 1HD1 ILE 19 -0.180 4.432 -4.581 121 HD13 ILE 19 2HD1 ILE 19 1.332 3.747 -3.896 122 H LYS 20 H LYS 20 3.075 4.417 0.795 123 HA LYS 20 HA LYS 20 2.284 2.645 2.778 124 HB2 LYS 20 2HB LYS 20 4.563 2.813 1.802 125 HB3 LYS 20 3HB LYS 20 4.788 4.389 2.573 126 HG2 LYS 20 2HG LYS 20 4.650 3.354 4.811 127 HG3 LYS 20 3HG LYS 20 4.308 1.776 4.090 128 HD2 LYS 20 2HD LYS 20 6.666 1.821 4.635 129 HD3 LYS 20 3HD LYS 20 6.532 1.905 2.873 130 HE2 LYS 20 2HE LYS 20 6.813 4.381 2.957 131 HE3 LYS 20 3HE LYS 20 6.905 4.321 4.722 132 HZ1 LYS 20 3HZ LYS 20 8.801 3.018 2.875 133 HZ2 LYS 20 1HZ LYS 20 9.080 4.384 3.724 134 HZ3 LYS 20 2HZ LYS 20 8.887 2.963 4.504 135 H GLY 21 H GLY 21 3.094 6.207 3.043 136 HA2 GLY 21 2HA GLY 21 2.627 6.321 5.830 137 HA3 GLY 21 3HA GLY 21 2.657 7.671 4.688 138 H ALA 22 H ALA 22 0.463 6.729 2.937 139 HA ALA 22 HA ALA 22 -1.685 7.856 4.357 140 HB1 ALA 22 3HB ALA 22 -1.615 6.158 1.814 141 HB2 ALA 22 1HB ALA 22 -3.002 7.155 2.370 142 HB3 ALA 22 2HB ALA 22 -1.457 7.945 1.905 143 H ILE 23 H ILE 23 -0.823 4.399 3.605 144 HA ILE 23 HA ILE 23 -3.192 3.403 4.803 145 HB ILE 23 HB ILE 23 -0.502 2.096 4.151 146 HG12 ILE 23 2HG1 ILE 23 -3.194 1.856 2.735 147 HG13 ILE 23 3HG1 ILE 23 -1.959 3.033 2.269 148 HG21 ILE 23 1HG2 ILE 23 -1.690 -0.057 4.408 149 HG22 ILE 23 2HG2 ILE 23 -1.639 0.867 5.947 150 HG23 ILE 23 3HG2 ILE 23 -3.150 0.821 4.978 151 HD11 ILE 23 3HD1 ILE 23 -1.609 0.001 2.302 152 HD12 ILE 23 1HD1 ILE 23 -1.853 1.032 0.852 153 HD13 ILE 23 2HD1 ILE 23 -0.355 1.196 1.829 154 H GLU 24 H GLU 24 0.256 3.817 5.933 155 HA GLU 24 HA GLU 24 -0.029 2.610 8.414 156 HB2 GLU 24 2HB GLU 24 2.110 3.352 7.378 157 HB3 GLU 24 3HB GLU 24 1.637 5.042 7.599 158 HG2 GLU 24 2HG GLU 24 1.639 4.744 10.060 159 HG3 GLU 24 3HG GLU 24 2.046 3.033 9.868 160 H LYS 25 H LYS 25 -1.037 5.891 7.291 161 HA LYS 25 HA LYS 25 -1.331 6.946 9.911 162 HB2 LYS 25 2HB LYS 25 -0.976 8.316 7.870 163 HB3 LYS 25 3HB LYS 25 -2.537 7.784 7.231 164 HG2 LYS 25 2HG LYS 25 -3.719 8.899 9.092 165 HG3 LYS 25 3HG LYS 25 -2.178 9.361 9.828 166 HD2 LYS 25 2HD LYS 25 -1.604 10.707 7.805 167 HD3 LYS 25 3HD LYS 25 -3.128 10.229 7.046 168 HE2 LYS 25 2HE LYS 25 -4.390 11.293 8.936 169 HE3 LYS 25 3HE LYS 25 -2.859 11.791 9.668 170 HZ1 LYS 25 3HZ LYS 25 -3.829 12.635 7.012 171 HZ2 LYS 25 1HZ LYS 25 -3.830 13.549 8.365 172 HZ3 LYS 25 2HZ LYS 25 -2.415 13.094 7.688 173 H THR 26 H THR 26 -3.545 5.214 7.622 174 HA THR 26 HA THR 26 -5.795 5.998 9.292 175 HB THR 26 HB THR 26 -7.172 5.041 7.455 176 HG1 THR 26 HG1 THR 26 -4.731 4.683 5.953 177 HG21 THR 26 3HG2 THR 26 -4.945 6.897 6.482 178 HG22 THR 26 1HG2 THR 26 -6.540 6.661 5.691 179 HG23 THR 26 2HG2 THR 26 -6.449 7.398 7.326 180 H VAL 27 H VAL 27 -3.726 3.195 8.558 181 HA VAL 27 HA VAL 27 -5.611 1.473 9.986 182 HB VAL 27 HB VAL 27 -3.058 0.819 8.424 183 HG11 VAL 27 1HG1 VAL 27 -3.774 -1.538 8.663 184 HG12 VAL 27 2HG1 VAL 27 -3.447 -0.773 10.255 185 HG13 VAL 27 3HG1 VAL 27 -5.140 -1.012 9.705 186 HG21 VAL 27 3HG2 VAL 27 -4.896 1.575 6.978 187 HG22 VAL 27 1HG2 VAL 27 -4.609 -0.186 6.777 188 HG23 VAL 27 2HG2 VAL 27 -6.006 0.391 7.747 189 HA PRO 28 HA PRO 28 -2.810 2.278 13.424 190 HB2 PRO 28 2HB PRO 28 -4.543 1.490 15.409 191 HB3 PRO 28 3HB PRO 28 -4.817 3.013 14.553 192 HG2 PRO 28 2HG PRO 28 -6.119 0.307 14.092 193 HG3 PRO 28 3HG PRO 28 -6.878 1.901 14.184 194 HD2 PRO 28 2HD PRO 28 -6.309 0.708 11.781 195 HD3 PRO 28 3HD PRO 28 -6.282 2.466 11.978 196 H GLY 29 H GLY 29 -1.242 1.117 14.402 197 HA2 GLY 29 2HA GLY 29 -0.276 -0.616 15.452 198 HA3 GLY 29 3HA GLY 29 -1.869 -1.371 15.600 199 H ALA 30 H ALA 30 -0.338 -0.452 12.449 200 HA ALA 30 HA ALA 30 0.441 -3.251 12.063 201 HB1 ALA 30 3HB ALA 30 -1.284 -1.609 10.146 202 HB2 ALA 30 1HB ALA 30 -0.564 -3.216 9.794 203 HB3 ALA 30 2HB ALA 30 -1.806 -3.051 11.081 204 H ALA 31 H ALA 31 2.244 -3.533 10.665 205 HA ALA 31 HA ALA 31 3.664 -1.037 10.084 206 HB1 ALA 31 3HB ALA 31 4.534 -3.968 10.054 207 HB2 ALA 31 1HB ALA 31 5.598 -2.554 9.746 208 HB3 ALA 31 2HB ALA 31 4.847 -2.777 11.362 209 H VAL 32 H VAL 32 3.572 -0.164 8.062 210 HA VAL 32 HA VAL 32 2.698 -1.947 5.914 211 HB VAL 32 HB VAL 32 2.813 1.111 6.069 212 HG11 VAL 32 1HG1 VAL 32 1.457 1.038 3.999 213 HG12 VAL 32 2HG1 VAL 32 3.068 0.277 3.770 214 HG13 VAL 32 3HG1 VAL 32 1.608 -0.751 3.968 215 HG21 VAL 32 3HG2 VAL 32 1.135 0.158 7.591 216 HG22 VAL 32 1HG2 VAL 32 0.345 0.970 6.198 217 HG23 VAL 32 2HG2 VAL 32 0.455 -0.822 6.249 218 H HIS 33 H HIS 33 4.162 -2.614 4.369 219 HA HIS 33 HA HIS 33 6.594 -0.975 4.062 220 HB2 HIS 33 2HB HIS 33 6.345 -4.021 3.944 221 HB3 HIS 33 3HB HIS 33 7.817 -3.090 3.638 222 HD2 HIS 33 HD2 HIS 33 5.800 -4.528 6.629 223 HE1 HIS 33 HE1 HIS 33 9.032 -2.224 8.232 224 H ALA 34 H ALA 34 6.298 0.066 2.101 225 HA ALA 34 HA ALA 34 5.151 -1.505 -0.096 226 HB1 ALA 34 3HB ALA 34 5.777 1.473 0.204 227 HB2 ALA 34 1HB ALA 34 5.010 0.702 -1.225 228 HB3 ALA 34 2HB ALA 34 4.162 0.705 0.358 229 H ASP 35 H ASP 35 6.451 -2.410 -1.637 230 HA ASP 35 HA ASP 35 9.096 -1.154 -2.020 231 HB2 ASP 35 2HB ASP 35 9.268 -3.425 -1.082 232 HB3 ASP 35 3HB ASP 35 8.211 -4.061 -2.349 233 HA PRO 36 HA PRO 36 6.929 -0.395 -5.939 234 HB2 PRO 36 2HB PRO 36 8.487 1.789 -6.640 235 HB3 PRO 36 3HB PRO 36 7.175 1.953 -5.465 236 HG2 PRO 36 2HG PRO 36 10.150 1.593 -4.963 237 HG3 PRO 36 3HG PRO 36 9.025 2.722 -4.197 238 HD2 PRO 36 2HD PRO 36 9.741 0.399 -2.965 239 HD3 PRO 36 3HD PRO 36 8.115 1.066 -2.773 240 H ALA 37 H ALA 37 10.388 -0.975 -5.315 241 HA ALA 37 HA ALA 37 11.048 -1.461 -8.022 242 HB1 ALA 37 3HB ALA 37 12.180 -2.590 -5.415 243 HB2 ALA 37 1HB ALA 37 12.955 -2.704 -7.031 244 HB3 ALA 37 2HB ALA 37 12.726 -1.100 -6.256 245 H SER 38 H SER 38 9.616 -3.532 -5.407 246 HA SER 38 HA SER 38 9.407 -5.727 -7.329 247 HB2 SER 38 2HB SER 38 8.570 -5.455 -4.405 248 HB3 SER 38 3HB SER 38 8.449 -6.930 -5.374 249 HG SER 38 HG SER 38 10.656 -5.759 -4.149 250 H ARG 39 H ARG 39 7.699 -2.870 -6.622 251 HA ARG 39 HA ARG 39 5.695 -2.145 -7.184 252 HB2 ARG 39 2HB ARG 39 5.695 -4.617 -8.928 253 HB3 ARG 39 3HB ARG 39 4.419 -3.393 -8.952 254 HG2 ARG 39 2HG ARG 39 6.172 -1.663 -9.504 255 HG3 ARG 39 3HG ARG 39 7.363 -2.965 -9.614 256 HD2 ARG 39 2HD ARG 39 4.845 -2.773 -11.280 257 HD3 ARG 39 3HD ARG 39 6.439 -2.197 -11.784 258 HE ARG 39 HE ARG 39 6.871 -4.837 -11.139 259 HH11 ARG 39 1HH1 ARG 39 4.588 -3.211 -13.260 260 HH12 ARG 39 2HH1 ARG 39 4.532 -4.521 -14.393 261 HH21 ARG 39 1HH2 ARG 39 6.778 -6.512 -12.591 262 HH22 ARG 39 2HH2 ARG 39 5.789 -6.417 -14.009 263 H THR 40 H THR 40 5.957 -3.776 -4.732 264 HA THR 40 HA THR 40 3.219 -4.804 -4.613 265 HB THR 40 HB THR 40 5.720 -6.231 -3.563 266 HG1 THR 40 HG1 THR 40 3.821 -7.406 -5.351 267 HG21 THR 40 3HG2 THR 40 2.760 -6.981 -3.396 268 HG22 THR 40 1HG2 THR 40 4.137 -8.006 -2.868 269 HG23 THR 40 2HG2 THR 40 3.799 -6.454 -2.030 270 H VAL 41 H VAL 41 2.130 -4.222 -2.718 271 HA VAL 41 HA VAL 41 3.802 -3.003 -0.630 272 HB VAL 41 HB VAL 41 0.841 -2.583 -1.290 273 HG11 VAL 41 1HG1 VAL 41 0.941 -0.795 0.417 274 HG12 VAL 41 2HG1 VAL 41 1.281 -2.411 1.121 275 HG13 VAL 41 3HG1 VAL 41 2.629 -1.267 0.807 276 HG21 VAL 41 3HG2 VAL 41 2.342 -1.547 -2.937 277 HG22 VAL 41 1HG2 VAL 41 1.551 -0.297 -1.918 278 HG23 VAL 41 2HG2 VAL 41 3.263 -0.752 -1.616 279 H VAL 42 H VAL 42 3.953 -4.119 1.294 280 HA VAL 42 HA VAL 42 1.878 -6.144 1.776 281 HB VAL 42 HB VAL 42 4.831 -6.118 2.591 282 HG11 VAL 42 1HG1 VAL 42 4.388 -8.379 3.497 283 HG12 VAL 42 2HG1 VAL 42 3.424 -7.121 4.341 284 HG13 VAL 42 3HG1 VAL 42 2.643 -8.183 3.121 285 HG21 VAL 42 3HG2 VAL 42 4.477 -6.640 0.215 286 HG22 VAL 42 1HG2 VAL 42 4.995 -8.101 1.121 287 HG23 VAL 42 2HG2 VAL 42 3.272 -7.896 0.658 288 H VAL 43 H VAL 43 0.714 -5.980 3.688 289 HA VAL 43 HA VAL 43 1.797 -4.111 5.684 290 HB VAL 43 HB VAL 43 -1.117 -4.790 5.035 291 HG11 VAL 43 1HG1 VAL 43 -1.667 -3.031 6.686 292 HG12 VAL 43 2HG1 VAL 43 -0.779 -4.400 7.437 293 HG13 VAL 43 3HG1 VAL 43 0.077 -2.862 7.080 294 HG21 VAL 43 3HG2 VAL 43 -0.076 -3.337 3.347 295 HG22 VAL 43 1HG2 VAL 43 -1.263 -2.419 4.335 296 HG23 VAL 43 2HG2 VAL 43 0.497 -2.227 4.638 297 H GLY 44 H GLY 44 2.441 -5.121 7.574 298 HA2 GLY 44 2HA GLY 44 1.893 -7.925 7.851 299 HA3 GLY 44 3HA GLY 44 2.881 -6.899 8.899 300 H GLY 45 H GLY 45 0.870 -8.975 9.698 301 HA2 GLY 45 2HA GLY 45 -0.356 -9.050 11.624 302 HA3 GLY 45 3HA GLY 45 -0.465 -7.285 11.641 303 H VAL 46 H VAL 46 -2.374 -6.301 10.948 304 HA VAL 46 HA VAL 46 -4.077 -7.771 9.125 305 HB VAL 46 HB VAL 46 -4.811 -8.566 11.362 306 HG11 VAL 46 1HG1 VAL 46 -5.819 -6.976 12.968 307 HG12 VAL 46 2HG1 VAL 46 -4.076 -6.639 12.699 308 HG13 VAL 46 3HG1 VAL 46 -5.321 -5.606 11.919 309 HG21 VAL 46 3HG2 VAL 46 -6.469 -8.313 9.566 310 HG22 VAL 46 1HG2 VAL 46 -7.197 -7.940 11.165 311 HG23 VAL 46 2HG2 VAL 46 -6.749 -6.606 10.048 312 H SER 47 H SER 47 -5.446 -6.373 7.898 313 HA SER 47 HA SER 47 -5.634 -3.583 8.685 314 HB2 SER 47 2HB SER 47 -3.462 -3.656 7.543 315 HB3 SER 47 3HB SER 47 -4.178 -4.509 6.169 316 HG SER 47 HG SER 47 -5.420 -2.689 5.670 317 H ASP 48 H ASP 48 -7.504 -2.611 7.847 318 HA ASP 48 HA ASP 48 -9.368 -4.146 6.377 319 HB2 ASP 48 2HB ASP 48 -9.919 -2.214 7.860 320 HB3 ASP 48 3HB ASP 48 -9.100 -1.122 6.735 321 H ALA 49 H ALA 49 -8.853 -4.923 4.343 322 HA ALA 49 HA ALA 49 -6.970 -3.648 2.678 323 HB1 ALA 49 3HB ALA 49 -9.125 -5.732 2.073 324 HB2 ALA 49 1HB ALA 49 -7.743 -5.314 1.006 325 HB3 ALA 49 2HB ALA 49 -7.444 -6.064 2.610 326 H ALA 50 H ALA 50 -10.511 -3.284 3.046 327 HA ALA 50 HA ALA 50 -11.090 -2.255 0.522 328 HB1 ALA 50 3HB ALA 50 -12.288 -1.602 3.260 329 HB2 ALA 50 1HB ALA 50 -13.040 -1.232 1.672 330 HB3 ALA 50 2HB ALA 50 -12.789 -2.939 2.170 331 H HIS 51 H HIS 51 -9.783 -0.622 3.492 332 HA HIS 51 HA HIS 51 -9.996 1.983 2.374 333 HB2 HIS 51 2HB HIS 51 -8.373 0.790 4.669 334 HB3 HIS 51 3HB HIS 51 -8.333 2.508 4.253 335 HD2 HIS 51 HD2 HIS 51 -11.875 2.080 3.681 336 HE1 HIS 51 HE1 HIS 51 -11.653 2.172 7.955 337 H ILE 52 H ILE 52 -7.368 -0.523 2.491 338 HA ILE 52 HA ILE 52 -5.350 1.138 1.523 339 HB ILE 52 HB ILE 52 -5.817 -1.877 1.378 340 HG12 ILE 52 2HG1 ILE 52 -3.823 -0.219 2.991 341 HG13 ILE 52 3HG1 ILE 52 -5.406 -0.720 3.601 342 HG21 ILE 52 1HG2 ILE 52 -3.450 -2.089 0.694 343 HG22 ILE 52 2HG2 ILE 52 -4.428 -1.224 -0.539 344 HG23 ILE 52 3HG2 ILE 52 -3.336 -0.303 0.549 345 HD11 ILE 52 3HD1 ILE 52 -3.173 -2.590 2.690 346 HD12 ILE 52 1HD1 ILE 52 -3.637 -2.227 4.387 347 HD13 ILE 52 2HD1 ILE 52 -4.779 -3.099 3.310 348 H ALA 53 H ALA 53 -7.826 -0.902 -0.190 349 HA ALA 53 HA ALA 53 -6.743 -0.571 -2.763 350 HB1 ALA 53 3HB ALA 53 -9.620 -1.015 -1.824 351 HB2 ALA 53 1HB ALA 53 -9.018 -1.239 -3.502 352 HB3 ALA 53 2HB ALA 53 -8.407 -2.291 -2.181 353 H GLU 54 H GLU 54 -9.102 1.426 -0.848 354 HA GLU 54 HA GLU 54 -9.666 3.220 -2.951 355 HB2 GLU 54 2HB GLU 54 -9.750 3.431 0.091 356 HB3 GLU 54 3HB GLU 54 -10.264 4.747 -0.972 357 HG2 GLU 54 2HG GLU 54 -12.018 3.332 -1.956 358 HG3 GLU 54 3HG GLU 54 -11.457 1.933 -1.031 359 H ILE 55 H ILE 55 -7.043 3.097 -0.450 360 HA ILE 55 HA ILE 55 -6.162 5.722 -0.877 361 HB ILE 55 HB ILE 55 -4.821 3.207 0.217 362 HG12 ILE 55 2HG1 ILE 55 -5.663 5.786 1.614 363 HG13 ILE 55 3HG1 ILE 55 -6.730 4.384 1.451 364 HG21 ILE 55 1HG2 ILE 55 -2.997 4.671 1.019 365 HG22 ILE 55 2HG2 ILE 55 -3.080 4.629 -0.774 366 HG23 ILE 55 3HG2 ILE 55 -3.714 6.051 0.121 367 HD11 ILE 55 3HD1 ILE 55 -4.018 4.407 2.850 368 HD12 ILE 55 1HD1 ILE 55 -5.629 4.408 3.644 369 HD13 ILE 55 2HD1 ILE 55 -5.100 2.984 2.685 370 H ILE 56 H ILE 56 -5.021 2.520 -2.240 371 HA ILE 56 HA ILE 56 -2.892 3.697 -3.657 372 HB ILE 56 HB ILE 56 -4.366 1.036 -3.956 373 HG12 ILE 56 2HG1 ILE 56 -1.596 1.668 -2.838 374 HG13 ILE 56 3HG1 ILE 56 -3.048 1.543 -1.837 375 HG21 ILE 56 1HG2 ILE 56 -2.454 0.310 -5.344 376 HG22 ILE 56 2HG2 ILE 56 -3.360 1.659 -6.108 377 HG23 ILE 56 3HG2 ILE 56 -1.791 1.979 -5.296 378 HD11 ILE 56 3HD1 ILE 56 -1.896 -0.673 -3.590 379 HD12 ILE 56 1HD1 ILE 56 -1.768 -0.550 -1.803 380 HD13 ILE 56 2HD1 ILE 56 -3.371 -0.801 -2.573 381 H THR 57 H THR 57 -6.289 2.752 -4.593 382 HA THR 57 HA THR 57 -6.075 3.456 -7.276 383 HB THR 57 HB THR 57 -8.453 3.593 -5.352 384 HG1 THR 57 HG1 THR 57 -7.905 1.459 -5.541 385 HG21 THR 57 3HG2 THR 57 -8.377 3.643 -8.408 386 HG22 THR 57 1HG2 THR 57 -9.855 3.532 -7.393 387 HG23 THR 57 2HG2 THR 57 -8.834 5.009 -7.335 388 H ALA 58 H ALA 58 -6.746 5.448 -4.316 389 HA ALA 58 HA ALA 58 -7.414 7.808 -5.704 390 HB1 ALA 58 3HB ALA 58 -6.161 7.364 -2.950 391 HB2 ALA 58 1HB ALA 58 -6.899 8.895 -3.532 392 HB3 ALA 58 2HB ALA 58 -7.916 7.429 -3.323 393 H ALA 59 H ALA 59 -4.260 6.298 -4.851 394 HA ALA 59 HA ALA 59 -2.746 8.597 -5.631 395 HB1 ALA 59 3HB ALA 59 -2.018 5.639 -5.367 396 HB2 ALA 59 1HB ALA 59 -0.854 6.990 -5.576 397 HB3 ALA 59 2HB ALA 59 -1.859 6.893 -4.091 398 H GLY 60 H GLY 60 -4.654 6.333 -7.424 399 HA2 GLY 60 2HA GLY 60 -5.113 6.821 -9.640 400 HA3 GLY 60 3HA GLY 60 -3.531 7.591 -9.816 401 H TYR 61 H TYR 61 -3.280 4.564 -8.127 402 HA TYR 61 HA TYR 61 -2.678 3.192 -10.669 403 HB2 TYR 61 2HB TYR 61 -1.100 3.019 -8.057 404 HB3 TYR 61 3HB TYR 61 -0.746 2.152 -9.557 405 HD1 TYR 61 HD1 TYR 61 -0.169 3.558 -11.650 406 HD2 TYR 61 HD2 TYR 61 -0.201 5.174 -7.674 407 HE1 TYR 61 HE1 TYR 61 1.253 5.438 -12.406 408 HE2 TYR 61 HE2 TYR 61 1.220 7.058 -8.423 409 HH TYR 61 HH TYR 61 2.290 8.008 -10.104 410 H THR 62 H THR 62 -5.046 2.487 -10.214 411 HA THR 62 HA THR 62 -5.908 1.165 -8.039 412 HB THR 62 HB THR 62 -6.388 0.347 -10.952 413 HG1 THR 62 HG1 THR 62 -8.245 1.787 -10.695 414 HG21 THR 62 3HG2 THR 62 -8.056 -0.094 -8.426 415 HG22 THR 62 1HG2 THR 62 -8.550 -0.515 -10.101 416 HG23 THR 62 2HG2 THR 62 -7.157 -1.355 -9.338 417 HA PRO 63 HA PRO 63 -3.156 -2.350 -7.875 418 HB2 PRO 63 2HB PRO 63 -4.038 -3.354 -5.472 419 HB3 PRO 63 3HB PRO 63 -3.137 -1.832 -5.510 420 HG2 PRO 63 2HG PRO 63 -6.142 -2.266 -5.351 421 HG3 PRO 63 3HG PRO 63 -5.130 -1.161 -4.412 422 HD2 PRO 63 2HD PRO 63 -6.565 -0.317 -6.592 423 HD3 PRO 63 3HD PRO 63 -5.029 0.432 -6.137 424 H GLU 64 H GLU 64 -3.125 -4.629 -8.068 425 HA GLU 64 HA GLU 64 -5.216 -5.722 -9.535 426 HB2 GLU 64 2HB GLU 64 -2.871 -6.562 -9.460 427 HB3 GLU 64 3HB GLU 64 -3.114 -7.097 -7.792 428 HG2 GLU 64 2HG GLU 64 -4.860 -8.697 -8.543 429 HG3 GLU 64 3HG GLU 64 -4.667 -8.143 -10.211 Start of MODEL 15 1 H ALA 1 1H ALA 1 3.793 -12.782 6.178 2 HA ALA 1 HA ALA 1 2.661 -12.750 8.254 3 HB1 ALA 1 3HB ALA 1 3.449 -10.006 7.155 4 HB2 ALA 1 1HB ALA 1 3.294 -10.435 8.893 5 HB3 ALA 1 2HB ALA 1 4.555 -11.220 7.883 6 H GLY 2 H GLY 2 1.387 -10.128 6.017 7 HA2 GLY 2 2HA GLY 2 -1.190 -10.466 7.437 8 HA3 GLY 2 3HA GLY 2 -0.509 -8.875 7.072 9 H LEU 3 H LEU 3 -1.081 -7.910 5.132 10 HA LEU 3 HA LEU 3 -2.355 -9.682 3.141 11 HB2 LEU 3 2HB LEU 3 -2.763 -6.704 3.708 12 HB3 LEU 3 3HB LEU 3 -3.577 -7.632 2.442 13 HG LEU 3 HG LEU 3 -3.860 -8.146 5.449 14 HD11 LEU 3 1HD1 LEU 3 -6.126 -7.216 5.150 15 HD12 LEU 3 2HD1 LEU 3 -4.860 -6.006 4.754 16 HD13 LEU 3 3HD1 LEU 3 -5.748 -6.840 3.435 17 HD21 LEU 3 3HD2 LEU 3 -4.123 -10.173 4.067 18 HD22 LEU 3 1HD2 LEU 3 -5.699 -9.641 4.744 19 HD23 LEU 3 2HD2 LEU 3 -5.305 -9.315 3.023 20 H SER 4 H SER 4 -1.896 -9.327 0.884 21 HA SER 4 HA SER 4 0.481 -7.634 0.416 22 HB2 SER 4 2HB SER 4 1.121 -9.998 0.420 23 HB3 SER 4 3HB SER 4 -0.197 -10.395 -0.691 24 HG SER 4 HG SER 4 0.949 -9.705 -2.338 25 H PHE 5 H PHE 5 0.295 -6.169 -1.245 26 HA PHE 5 HA PHE 5 -1.949 -6.589 -3.115 27 HB2 PHE 5 2HB PHE 5 -0.968 -3.932 -1.964 28 HB3 PHE 5 3HB PHE 5 -2.290 -4.153 -3.117 29 HD1 PHE 5 HD1 PHE 5 -1.224 -4.636 0.397 30 HD2 PHE 5 HD2 PHE 5 -4.469 -4.934 -2.404 31 HE1 PHE 5 HE1 PHE 5 -2.822 -4.882 2.272 32 HE2 PHE 5 HE2 PHE 5 -6.065 -5.176 -0.527 33 HZ PHE 5 HZ PHE 5 -5.245 -5.151 1.815 34 H HIS 6 H HIS 6 -1.540 -6.078 -5.311 35 HA HIS 6 HA HIS 6 1.314 -5.562 -5.863 36 HB2 HIS 6 2HB HIS 6 -0.609 -7.436 -7.327 37 HB3 HIS 6 3HB HIS 6 1.063 -7.102 -7.796 38 HD2 HIS 6 HD2 HIS 6 -0.901 -9.486 -5.503 39 HE1 HIS 6 HE1 HIS 6 3.234 -9.883 -4.470 40 H VAL 7 H VAL 7 1.678 -3.776 -7.128 41 HA VAL 7 HA VAL 7 -0.594 -2.864 -8.756 42 HB VAL 7 HB VAL 7 1.416 -1.169 -7.185 43 HG11 VAL 7 1HG1 VAL 7 0.063 0.755 -7.958 44 HG12 VAL 7 2HG1 VAL 7 0.809 -0.131 -9.330 45 HG13 VAL 7 3HG1 VAL 7 -0.934 -0.354 -8.959 46 HG21 VAL 7 3HG2 VAL 7 -0.286 -2.208 -5.747 47 HG22 VAL 7 1HG2 VAL 7 -0.568 -0.441 -5.895 48 HG23 VAL 7 2HG2 VAL 7 -1.587 -1.594 -6.822 49 H GLU 8 H GLU 8 -0.036 -3.099 -10.909 50 HA GLU 8 HA GLU 8 2.623 -3.653 -11.654 51 HB2 GLU 8 2HB GLU 8 0.090 -2.967 -13.209 52 HB3 GLU 8 3HB GLU 8 1.621 -3.360 -14.003 53 HG2 GLU 8 2HG GLU 8 1.630 -5.596 -12.934 54 HG3 GLU 8 3HG GLU 8 0.138 -5.207 -12.067 55 H ASP 9 H ASP 9 0.733 -0.616 -11.472 56 HA ASP 9 HA ASP 9 2.721 0.742 -13.134 57 HB2 ASP 9 2HB ASP 9 0.067 1.631 -11.909 58 HB3 ASP 9 3HB ASP 9 1.122 2.672 -12.874 59 H MET 10 H MET 10 3.109 -0.322 -10.193 60 HA MET 10 HA MET 10 3.189 2.016 -8.567 61 HB2 MET 10 2HB MET 10 2.950 -0.386 -7.795 62 HB3 MET 10 3HB MET 10 4.637 -0.655 -8.251 63 HG2 MET 10 2HG MET 10 5.430 0.914 -6.587 64 HG3 MET 10 3HG MET 10 3.791 1.494 -6.259 65 HE1 MET 10 3HE MET 10 3.995 0.881 -3.415 66 HE2 MET 10 1HE MET 10 5.118 -0.471 -3.046 67 HE3 MET 10 2HE MET 10 5.650 0.874 -4.111 68 H THR 11 H THR 11 4.504 3.715 -9.223 69 HA THR 11 HA THR 11 7.159 3.171 -10.166 70 HB THR 11 HB THR 11 7.401 5.626 -10.176 71 HG1 THR 11 HG1 THR 11 5.957 6.948 -9.162 72 HG21 THR 11 3HG2 THR 11 4.663 4.713 -11.193 73 HG22 THR 11 1HG2 THR 11 5.547 6.182 -11.727 74 HG23 THR 11 2HG2 THR 11 6.225 4.554 -12.066 75 H CYS 12 H CYS 12 8.976 4.697 -8.991 76 HA CYS 12 HA CYS 12 8.918 3.928 -6.089 77 HB2 CYS 12 2HB CYS 12 10.304 2.560 -7.781 78 HB3 CYS 12 3HB CYS 12 11.080 4.061 -8.302 79 HG CYS 12 HG CYS 12 12.889 2.656 -6.648 80 H GLY 13 H GLY 13 9.420 5.464 -4.610 81 HA2 GLY 13 2HA GLY 13 10.957 7.311 -4.160 82 HA3 GLY 13 3HA GLY 13 10.478 8.000 -5.717 83 H HIS 14 H HIS 14 9.599 9.970 -4.920 84 HA HIS 14 HA HIS 14 7.741 10.004 -2.771 85 HB2 HIS 14 2HB HIS 14 8.335 12.029 -4.986 86 HB3 HIS 14 3HB HIS 14 7.339 12.349 -3.559 87 HD2 HIS 14 HD2 HIS 14 10.926 12.802 -4.613 88 HE1 HIS 14 HE1 HIS 14 11.029 12.525 -0.343 89 H CYS 15 H CYS 15 6.505 8.029 -3.912 90 HA CYS 15 HA CYS 15 4.003 9.199 -4.925 91 HB2 CYS 15 2HB CYS 15 5.636 8.796 -6.883 92 HB3 CYS 15 3HB CYS 15 5.813 7.122 -6.340 93 HG CYS 15 HG CYS 15 4.103 6.735 -8.391 94 H ALA 16 H ALA 16 5.359 5.838 -5.109 95 HA ALA 16 HA ALA 16 3.334 4.671 -3.614 96 HB1 ALA 16 3HB ALA 16 6.290 3.922 -3.862 97 HB2 ALA 16 1HB ALA 16 4.982 2.843 -3.270 98 HB3 ALA 16 2HB ALA 16 4.968 3.421 -4.971 99 H GLY 17 H GLY 17 6.227 6.522 -2.530 100 HA2 GLY 17 2HA GLY 17 6.175 5.841 0.168 101 HA3 GLY 17 3HA GLY 17 6.679 7.392 -0.518 102 H VAL 18 H VAL 18 4.101 8.179 -1.702 103 HA VAL 18 HA VAL 18 2.795 9.227 0.534 104 HB VAL 18 HB VAL 18 1.888 8.824 -2.361 105 HG11 VAL 18 1HG1 VAL 18 0.136 10.500 -1.869 106 HG12 VAL 18 2HG1 VAL 18 -0.071 9.010 -0.889 107 HG13 VAL 18 3HG1 VAL 18 0.617 10.490 -0.139 108 HG21 VAL 18 3HG2 VAL 18 3.836 10.295 -2.083 109 HG22 VAL 18 1HG2 VAL 18 2.384 11.240 -2.557 110 HG23 VAL 18 2HG2 VAL 18 2.950 11.258 -0.852 111 H ILE 19 H ILE 19 2.171 6.273 -1.487 112 HA ILE 19 HA ILE 19 -0.301 5.668 -0.304 113 HB ILE 19 HB ILE 19 1.819 3.973 -1.706 114 HG12 ILE 19 2HG1 ILE 19 -0.959 4.861 -2.607 115 HG13 ILE 19 3HG1 ILE 19 0.521 5.756 -2.974 116 HG21 ILE 19 1HG2 ILE 19 0.111 2.188 -1.846 117 HG22 ILE 19 2HG2 ILE 19 0.575 2.538 -0.146 118 HG23 ILE 19 3HG2 ILE 19 -0.980 3.156 -0.798 119 HD11 ILE 19 3HD1 ILE 19 -0.074 2.880 -3.804 120 HD12 ILE 19 1HD1 ILE 19 -0.140 4.332 -4.859 121 HD13 ILE 19 2HD1 ILE 19 1.430 3.789 -4.176 122 H LYS 20 H LYS 20 3.113 4.655 0.485 123 HA LYS 20 HA LYS 20 2.464 2.802 2.461 124 HB2 LYS 20 2HB LYS 20 4.702 3.096 1.432 125 HB3 LYS 20 3HB LYS 20 4.866 4.676 2.210 126 HG2 LYS 20 2HG LYS 20 4.747 3.559 4.456 127 HG3 LYS 20 3HG LYS 20 4.644 1.987 3.652 128 HD2 LYS 20 2HD LYS 20 6.851 2.375 2.568 129 HD3 LYS 20 3HD LYS 20 6.951 3.976 3.311 130 HE2 LYS 20 2HE LYS 20 6.794 2.863 5.591 131 HE3 LYS 20 3HE LYS 20 6.857 1.292 4.782 132 HZ1 LYS 20 3HZ LYS 20 8.949 3.368 4.629 133 HZ2 LYS 20 1HZ LYS 20 9.025 1.998 5.513 134 HZ3 LYS 20 2HZ LYS 20 9.007 1.917 3.882 135 H GLY 21 H GLY 21 3.124 6.396 2.753 136 HA2 GLY 21 2HA GLY 21 2.749 6.444 5.552 137 HA3 GLY 21 3HA GLY 21 2.693 7.814 4.435 138 H ALA 22 H ALA 22 0.471 6.849 2.745 139 HA ALA 22 HA ALA 22 -1.648 7.892 4.265 140 HB1 ALA 22 3HB ALA 22 -1.632 6.261 1.678 141 HB2 ALA 22 1HB ALA 22 -3.019 7.212 2.309 142 HB3 ALA 22 2HB ALA 22 -1.509 8.048 1.812 143 H ILE 23 H ILE 23 -0.718 4.475 3.421 144 HA ILE 23 HA ILE 23 -3.048 3.392 4.612 145 HB ILE 23 HB ILE 23 -0.330 2.186 3.887 146 HG12 ILE 23 2HG1 ILE 23 -3.048 1.869 2.539 147 HG13 ILE 23 3HG1 ILE 23 -1.867 3.095 2.060 148 HG21 ILE 23 1HG2 ILE 23 -1.427 -0.016 4.140 149 HG22 ILE 23 2HG2 ILE 23 -1.369 0.884 5.693 150 HG23 ILE 23 3HG2 ILE 23 -2.903 0.796 4.764 151 HD11 ILE 23 3HD1 ILE 23 -1.412 0.077 2.037 152 HD12 ILE 23 1HD1 ILE 23 -1.730 1.120 0.609 153 HD13 ILE 23 2HD1 ILE 23 -0.213 1.322 1.550 154 H GLU 24 H GLU 24 0.407 3.824 5.727 155 HA GLU 24 HA GLU 24 0.145 2.558 8.180 156 HB2 GLU 24 2HB GLU 24 2.274 3.328 7.148 157 HB3 GLU 24 3HB GLU 24 1.798 5.012 7.407 158 HG2 GLU 24 2HG GLU 24 1.812 4.655 9.865 159 HG3 GLU 24 3HG GLU 24 2.237 2.955 9.629 160 H LYS 25 H LYS 25 -0.866 5.869 7.146 161 HA LYS 25 HA LYS 25 -1.151 6.858 9.790 162 HB2 LYS 25 2HB LYS 25 -0.821 8.276 7.776 163 HB3 LYS 25 3HB LYS 25 -2.386 7.750 7.140 164 HG2 LYS 25 2HG LYS 25 -3.557 8.820 9.031 165 HG3 LYS 25 3HG LYS 25 -2.013 9.268 9.769 166 HD2 LYS 25 2HD LYS 25 -1.454 10.661 7.772 167 HD3 LYS 25 3HD LYS 25 -2.986 10.202 7.017 168 HE2 LYS 25 2HE LYS 25 -4.233 11.225 8.934 169 HE3 LYS 25 3HE LYS 25 -2.699 11.691 9.681 170 HZ1 LYS 25 3HZ LYS 25 -3.661 12.620 7.051 171 HZ2 LYS 25 1HZ LYS 25 -3.657 13.493 8.430 172 HZ3 LYS 25 2HZ LYS 25 -2.245 13.049 7.740 173 H THR 26 H THR 26 -3.363 5.130 7.503 174 HA THR 26 HA THR 26 -5.615 5.922 9.166 175 HB THR 26 HB THR 26 -6.990 4.983 7.317 176 HG1 THR 26 HG1 THR 26 -4.552 4.639 5.808 177 HG21 THR 26 3HG2 THR 26 -4.756 6.843 6.369 178 HG22 THR 26 1HG2 THR 26 -6.348 6.617 5.570 179 HG23 THR 26 2HG2 THR 26 -6.262 7.339 7.212 180 H VAL 27 H VAL 27 -3.532 3.135 8.482 181 HA VAL 27 HA VAL 27 -5.473 1.366 9.766 182 HB VAL 27 HB VAL 27 -2.804 0.789 8.381 183 HG11 VAL 27 1HG1 VAL 27 -3.488 -1.586 8.529 184 HG12 VAL 27 2HG1 VAL 27 -3.288 -0.844 10.153 185 HG13 VAL 27 3HG1 VAL 27 -4.933 -1.105 9.481 186 HG21 VAL 27 3HG2 VAL 27 -4.551 1.532 6.821 187 HG22 VAL 27 1HG2 VAL 27 -4.213 -0.219 6.614 188 HG23 VAL 27 2HG2 VAL 27 -5.686 0.313 7.492 189 HA PRO 28 HA PRO 28 -2.972 2.136 13.418 190 HB2 PRO 28 2HB PRO 28 -4.806 1.200 15.243 191 HB3 PRO 28 3HB PRO 28 -5.090 2.736 14.414 192 HG2 PRO 28 2HG PRO 28 -6.215 -0.013 13.773 193 HG3 PRO 28 3HG PRO 28 -7.060 1.538 13.858 194 HD2 PRO 28 2HD PRO 28 -6.258 0.460 11.470 195 HD3 PRO 28 3HD PRO 28 -6.329 2.209 11.723 196 H GLY 29 H GLY 29 -1.425 1.021 14.484 197 HA2 GLY 29 2HA GLY 29 -0.395 -0.706 15.474 198 HA3 GLY 29 3HA GLY 29 -1.984 -1.461 15.656 199 H ALA 30 H ALA 30 -0.281 -0.611 12.546 200 HA ALA 30 HA ALA 30 0.390 -3.432 12.204 201 HB1 ALA 30 3HB ALA 30 -1.273 -1.798 10.223 202 HB2 ALA 30 1HB ALA 30 -0.579 -3.426 9.916 203 HB3 ALA 30 2HB ALA 30 -1.839 -3.210 11.178 204 H ALA 31 H ALA 31 2.171 -3.784 10.765 205 HA ALA 31 HA ALA 31 3.704 -1.346 10.251 206 HB1 ALA 31 3HB ALA 31 4.421 -4.314 10.104 207 HB2 ALA 31 1HB ALA 31 5.556 -2.947 9.846 208 HB3 ALA 31 2HB ALA 31 4.798 -3.193 11.455 209 H VAL 32 H VAL 32 3.651 -0.391 8.268 210 HA VAL 32 HA VAL 32 2.692 -2.050 6.052 211 HB VAL 32 HB VAL 32 2.869 0.992 6.353 212 HG11 VAL 32 1HG1 VAL 32 1.510 1.047 4.284 213 HG12 VAL 32 2HG1 VAL 32 3.107 0.270 4.015 214 HG13 VAL 32 3HG1 VAL 32 1.629 -0.741 4.164 215 HG21 VAL 32 3HG2 VAL 32 1.175 -0.006 7.829 216 HG22 VAL 32 1HG2 VAL 32 0.398 0.888 6.479 217 HG23 VAL 32 2HG2 VAL 32 0.476 -0.905 6.440 218 H HIS 33 H HIS 33 4.160 -2.715 4.512 219 HA HIS 33 HA HIS 33 6.591 -1.073 4.204 220 HB2 HIS 33 2HB HIS 33 6.352 -4.121 4.078 221 HB3 HIS 33 3HB HIS 33 7.819 -3.185 3.764 222 HD2 HIS 33 HD2 HIS 33 5.811 -4.616 6.773 223 HE1 HIS 33 HE1 HIS 33 9.079 -2.343 8.347 224 H ALA 34 H ALA 34 6.353 -0.049 2.238 225 HA ALA 34 HA ALA 34 5.177 -1.610 0.044 226 HB1 ALA 34 3HB ALA 34 5.817 1.367 0.342 227 HB2 ALA 34 1HB ALA 34 5.048 0.598 -1.088 228 HB3 ALA 34 2HB ALA 34 4.197 0.606 0.494 229 H ASP 35 H ASP 35 6.460 -2.491 -1.526 230 HA ASP 35 HA ASP 35 9.127 -1.274 -1.874 231 HB2 ASP 35 2HB ASP 35 9.251 -3.568 -0.990 232 HB3 ASP 35 3HB ASP 35 8.191 -4.154 -2.279 233 HA PRO 36 HA PRO 36 7.001 -0.379 -5.785 234 HB2 PRO 36 2HB PRO 36 8.625 1.768 -6.444 235 HB3 PRO 36 3HB PRO 36 7.324 1.949 -5.259 236 HG2 PRO 36 2HG PRO 36 10.288 1.479 -4.780 237 HG3 PRO 36 3HG PRO 36 9.206 2.633 -3.988 238 HD2 PRO 36 2HD PRO 36 9.846 0.266 -2.801 239 HD3 PRO 36 3HD PRO 36 8.243 0.983 -2.592 240 H ALA 37 H ALA 37 10.439 -1.082 -5.178 241 HA ALA 37 HA ALA 37 11.077 -1.525 -7.901 242 HB1 ALA 37 3HB ALA 37 12.194 -2.735 -5.323 243 HB2 ALA 37 1HB ALA 37 12.958 -2.835 -6.946 244 HB3 ALA 37 2HB ALA 37 12.773 -1.242 -6.137 245 H SER 38 H SER 38 9.605 -3.609 -5.318 246 HA SER 38 HA SER 38 9.343 -5.769 -7.276 247 HB2 SER 38 2HB SER 38 8.539 -5.528 -4.340 248 HB3 SER 38 3HB SER 38 8.373 -6.984 -5.331 249 HG SER 38 HG SER 38 10.625 -5.877 -4.121 250 H ARG 39 H ARG 39 7.690 -2.894 -6.491 251 HA ARG 39 HA ARG 39 5.697 -2.121 -7.028 252 HB2 ARG 39 2HB ARG 39 5.637 -4.558 -8.819 253 HB3 ARG 39 3HB ARG 39 4.386 -3.308 -8.810 254 HG2 ARG 39 2HG ARG 39 6.165 -1.603 -9.347 255 HG3 ARG 39 3HG ARG 39 7.334 -2.922 -9.483 256 HD2 ARG 39 2HD ARG 39 4.815 -2.657 -11.135 257 HD3 ARG 39 3HD ARG 39 6.420 -2.110 -11.636 258 HE ARG 39 HE ARG 39 6.802 -4.764 -11.036 259 HH11 ARG 39 1HH1 ARG 39 4.525 -3.071 -13.107 260 HH12 ARG 39 2HH1 ARG 39 4.427 -4.366 -14.252 261 HH21 ARG 39 1HH2 ARG 39 6.659 -6.420 -12.505 262 HH22 ARG 39 2HH2 ARG 39 5.651 -6.291 -13.907 263 H THR 40 H THR 40 5.926 -3.750 -4.594 264 HA THR 40 HA THR 40 3.199 -4.807 -4.499 265 HB THR 40 HB THR 40 5.716 -6.211 -3.456 266 HG1 THR 40 HG1 THR 40 3.804 -7.379 -5.246 267 HG21 THR 40 3HG2 THR 40 2.767 -6.996 -3.271 268 HG22 THR 40 1HG2 THR 40 4.160 -8.006 -2.756 269 HG23 THR 40 2HG2 THR 40 3.810 -6.461 -1.910 270 H VAL 41 H VAL 41 2.095 -4.258 -2.602 271 HA VAL 41 HA VAL 41 3.744 -3.062 -0.484 272 HB VAL 41 HB VAL 41 0.779 -2.667 -1.131 273 HG11 VAL 41 1HG1 VAL 41 0.873 -0.895 0.599 274 HG12 VAL 41 2HG1 VAL 41 1.236 -2.516 1.282 275 HG13 VAL 41 3HG1 VAL 41 2.569 -1.354 0.970 276 HG21 VAL 41 3HG2 VAL 41 2.256 -1.592 -2.776 277 HG22 VAL 41 1HG2 VAL 41 1.459 -0.364 -1.735 278 HG23 VAL 41 2HG2 VAL 41 3.178 -0.802 -1.451 279 H VAL 42 H VAL 42 3.908 -4.222 1.413 280 HA VAL 42 HA VAL 42 1.827 -6.248 1.873 281 HB VAL 42 HB VAL 42 4.784 -6.252 2.670 282 HG11 VAL 42 1HG1 VAL 42 4.332 -8.526 3.541 283 HG12 VAL 42 2HG1 VAL 42 3.381 -7.275 4.411 284 HG13 VAL 42 3HG1 VAL 42 2.586 -8.313 3.179 285 HG21 VAL 42 3HG2 VAL 42 4.417 -6.737 0.289 286 HG22 VAL 42 1HG2 VAL 42 4.929 -8.216 1.171 287 HG23 VAL 42 2HG2 VAL 42 3.206 -7.992 0.718 288 H VAL 43 H VAL 43 0.660 -6.078 3.777 289 HA VAL 43 HA VAL 43 1.778 -4.264 5.805 290 HB VAL 43 HB VAL 43 -1.150 -4.888 5.155 291 HG11 VAL 43 1HG1 VAL 43 -1.663 -3.137 6.828 292 HG12 VAL 43 2HG1 VAL 43 -0.792 -4.526 7.560 293 HG13 VAL 43 3HG1 VAL 43 0.086 -2.998 7.212 294 HG21 VAL 43 3HG2 VAL 43 -0.094 -3.439 3.477 295 HG22 VAL 43 1HG2 VAL 43 -1.262 -2.512 4.478 296 HG23 VAL 43 2HG2 VAL 43 0.502 -2.349 4.774 297 H GLY 44 H GLY 44 2.398 -5.306 7.684 298 HA2 GLY 44 2HA GLY 44 1.828 -8.107 7.919 299 HA3 GLY 44 3HA GLY 44 2.806 -7.100 8.995 300 H GLY 45 H GLY 45 0.744 -9.188 9.701 301 HA2 GLY 45 2HA GLY 45 -0.507 -9.297 11.609 302 HA3 GLY 45 3HA GLY 45 -0.581 -7.531 11.679 303 H VAL 46 H VAL 46 -2.446 -6.474 10.957 304 HA VAL 46 HA VAL 46 -4.191 -7.896 9.133 305 HB VAL 46 HB VAL 46 -4.933 -8.663 11.380 306 HG11 VAL 46 1HG1 VAL 46 -5.906 -7.038 12.975 307 HG12 VAL 46 2HG1 VAL 46 -4.156 -6.741 12.703 308 HG13 VAL 46 3HG1 VAL 46 -5.379 -5.688 11.915 309 HG21 VAL 46 3HG2 VAL 46 -6.589 -8.388 9.585 310 HG22 VAL 46 1HG2 VAL 46 -7.306 -7.986 11.181 311 HG23 VAL 46 2HG2 VAL 46 -6.831 -6.671 10.053 312 H SER 47 H SER 47 -5.556 -6.461 7.929 313 HA SER 47 HA SER 47 -5.664 -3.668 8.707 314 HB2 SER 47 2HB SER 47 -3.485 -3.795 7.574 315 HB3 SER 47 3HB SER 47 -4.218 -4.622 6.193 316 HG SER 47 HG SER 47 -5.310 -2.126 7.013 317 H ASP 48 H ASP 48 -7.485 -2.632 7.824 318 HA ASP 48 HA ASP 48 -9.388 -4.139 6.368 319 HB2 ASP 48 2HB ASP 48 -9.896 -2.183 7.834 320 HB3 ASP 48 3HB ASP 48 -9.053 -1.120 6.700 321 H ALA 49 H ALA 49 -8.860 -4.950 4.343 322 HA ALA 49 HA ALA 49 -6.947 -3.714 2.681 323 HB1 ALA 49 3HB ALA 49 -9.118 -5.785 2.084 324 HB2 ALA 49 1HB ALA 49 -7.722 -5.395 1.024 325 HB3 ALA 49 2HB ALA 49 -7.446 -6.128 2.641 326 H ALA 50 H ALA 50 -10.498 -3.342 2.992 327 HA ALA 50 HA ALA 50 -11.015 -2.294 0.461 328 HB1 ALA 50 3HB ALA 50 -12.286 -1.672 3.172 329 HB2 ALA 50 1HB ALA 50 -12.995 -1.284 1.568 330 HB3 ALA 50 2HB ALA 50 -12.756 -2.996 2.054 331 H HIS 51 H HIS 51 -9.799 -0.687 3.484 332 HA HIS 51 HA HIS 51 -9.989 1.929 2.403 333 HB2 HIS 51 2HB HIS 51 -8.402 0.700 4.705 334 HB3 HIS 51 3HB HIS 51 -8.355 2.425 4.317 335 HD2 HIS 51 HD2 HIS 51 -11.893 1.972 3.679 336 HE1 HIS 51 HE1 HIS 51 -11.734 2.048 7.955 337 H ILE 52 H ILE 52 -7.349 -0.569 2.531 338 HA ILE 52 HA ILE 52 -5.336 1.107 1.569 339 HB ILE 52 HB ILE 52 -5.785 -1.910 1.441 340 HG12 ILE 52 2HG1 ILE 52 -3.796 -0.220 3.027 341 HG13 ILE 52 3HG1 ILE 52 -5.365 -0.743 3.653 342 HG21 ILE 52 1HG2 ILE 52 -3.423 -2.116 0.740 343 HG22 ILE 52 2HG2 ILE 52 -4.414 -1.264 -0.492 344 HG23 ILE 52 3HG2 ILE 52 -3.318 -0.330 0.581 345 HD11 ILE 52 3HD1 ILE 52 -3.111 -2.583 2.732 346 HD12 ILE 52 1HD1 ILE 52 -3.566 -2.220 4.431 347 HD13 ILE 52 2HD1 ILE 52 -4.705 -3.114 3.367 348 H ALA 53 H ALA 53 -7.797 -0.953 -0.142 349 HA ALA 53 HA ALA 53 -6.724 -0.590 -2.721 350 HB1 ALA 53 3HB ALA 53 -9.586 -1.103 -1.772 351 HB2 ALA 53 1HB ALA 53 -8.988 -1.301 -3.454 352 HB3 ALA 53 2HB ALA 53 -8.348 -2.350 -2.144 353 H GLU 54 H GLU 54 -9.100 1.350 -0.770 354 HA GLU 54 HA GLU 54 -9.714 3.143 -2.862 355 HB2 GLU 54 2HB GLU 54 -9.808 3.317 0.183 356 HB3 GLU 54 3HB GLU 54 -10.335 4.644 -0.861 357 HG2 GLU 54 2HG GLU 54 -12.068 3.221 -1.875 358 HG3 GLU 54 3HG GLU 54 -11.491 1.815 -0.970 359 H ILE 55 H ILE 55 -7.087 3.052 -0.368 360 HA ILE 55 HA ILE 55 -6.233 5.685 -0.786 361 HB ILE 55 HB ILE 55 -4.871 3.170 0.276 362 HG12 ILE 55 2HG1 ILE 55 -5.645 5.760 1.689 363 HG13 ILE 55 3HG1 ILE 55 -6.745 4.383 1.540 364 HG21 ILE 55 1HG2 ILE 55 -3.016 4.620 1.033 365 HG22 ILE 55 2HG2 ILE 55 -3.138 4.572 -0.758 366 HG23 ILE 55 3HG2 ILE 55 -3.739 6.003 0.146 367 HD11 ILE 55 3HD1 ILE 55 -4.008 4.339 2.890 368 HD12 ILE 55 1HD1 ILE 55 -5.604 4.373 3.713 369 HD13 ILE 55 2HD1 ILE 55 -5.125 2.941 2.739 370 H ILE 56 H ILE 56 -5.069 2.510 -2.190 371 HA ILE 56 HA ILE 56 -2.990 3.727 -3.645 372 HB ILE 56 HB ILE 56 -4.435 1.048 -3.939 373 HG12 ILE 56 2HG1 ILE 56 -1.654 1.703 -2.863 374 HG13 ILE 56 3HG1 ILE 56 -3.088 1.556 -1.838 375 HG21 ILE 56 1HG2 ILE 56 -2.534 0.360 -5.364 376 HG22 ILE 56 2HG2 ILE 56 -3.470 1.703 -6.102 377 HG23 ILE 56 3HG2 ILE 56 -1.892 2.036 -5.312 378 HD11 ILE 56 3HD1 ILE 56 -1.943 -0.637 -3.624 379 HD12 ILE 56 1HD1 ILE 56 -1.785 -0.523 -1.839 380 HD13 ILE 56 2HD1 ILE 56 -3.398 -0.785 -2.583 381 H THR 57 H THR 57 -6.400 2.768 -4.502 382 HA THR 57 HA THR 57 -6.248 3.470 -7.192 383 HB THR 57 HB THR 57 -8.587 3.601 -5.217 384 HG1 THR 57 HG1 THR 57 -8.009 1.470 -5.398 385 HG21 THR 57 3HG2 THR 57 -8.569 3.618 -8.277 386 HG22 THR 57 1HG2 THR 57 -10.027 3.511 -7.234 387 HG23 THR 57 2HG2 THR 57 -9.014 4.994 -7.212 388 H ALA 58 H ALA 58 -6.886 5.458 -4.218 389 HA ALA 58 HA ALA 58 -7.554 7.821 -5.612 390 HB1 ALA 58 3HB ALA 58 -6.320 7.371 -2.850 391 HB2 ALA 58 1HB ALA 58 -7.050 8.904 -3.435 392 HB3 ALA 58 2HB ALA 58 -8.073 7.442 -3.233 393 H ALA 59 H ALA 59 -4.414 6.289 -4.758 394 HA ALA 59 HA ALA 59 -2.887 8.593 -5.506 395 HB1 ALA 59 3HB ALA 59 -2.167 5.631 -5.254 396 HB2 ALA 59 1HB ALA 59 -0.998 6.980 -5.446 397 HB3 ALA 59 2HB ALA 59 -2.015 6.877 -3.969 398 H GLY 60 H GLY 60 -4.770 6.316 -7.328 399 HA2 GLY 60 2HA GLY 60 -5.242 6.862 -9.530 400 HA3 GLY 60 3HA GLY 60 -3.662 7.642 -9.692 401 H TYR 61 H TYR 61 -3.378 4.584 -8.073 402 HA TYR 61 HA TYR 61 -2.777 3.275 -10.649 403 HB2 TYR 61 2HB TYR 61 -1.225 2.984 -8.031 404 HB3 TYR 61 3HB TYR 61 -0.845 2.220 -9.580 405 HD1 TYR 61 HD1 TYR 61 -0.324 3.808 -11.585 406 HD2 TYR 61 HD2 TYR 61 -0.283 5.072 -7.483 407 HE1 TYR 61 HE1 TYR 61 1.096 5.740 -12.198 408 HE2 TYR 61 HE2 TYR 61 1.131 7.009 -8.090 409 HH TYR 61 HH TYR 61 2.603 7.768 -9.764 410 H THR 62 H THR 62 -5.118 2.515 -10.301 411 HA THR 62 HA THR 62 -6.071 1.168 -8.192 412 HB THR 62 HB THR 62 -6.346 0.312 -11.123 413 HG1 THR 62 HG1 THR 62 -8.240 1.722 -11.010 414 HG21 THR 62 3HG2 THR 62 -8.172 -0.123 -8.706 415 HG22 THR 62 1HG2 THR 62 -8.547 -0.575 -10.403 416 HG23 THR 62 2HG2 THR 62 -7.195 -1.380 -9.537 417 HA PRO 63 HA PRO 63 -3.242 -2.270 -7.844 418 HB2 PRO 63 2HB PRO 63 -4.206 -3.256 -5.465 419 HB3 PRO 63 3HB PRO 63 -3.347 -1.711 -5.490 420 HG2 PRO 63 2HG PRO 63 -6.342 -2.226 -5.465 421 HG3 PRO 63 3HG PRO 63 -5.407 -1.079 -4.496 422 HD2 PRO 63 2HD PRO 63 -6.759 -0.305 -6.753 423 HD3 PRO 63 3HD PRO 63 -5.264 0.490 -6.242 424 H GLU 64 H GLU 64 -3.147 -4.554 -7.987 425 HA GLU 64 HA GLU 64 -5.158 -5.740 -9.499 426 HB2 GLU 64 2HB GLU 64 -2.796 -6.510 -9.338 427 HB3 GLU 64 3HB GLU 64 -3.069 -7.008 -7.663 428 HG2 GLU 64 2HG GLU 64 -4.751 -8.677 -8.418 429 HG3 GLU 64 3HG GLU 64 -4.522 -8.163 -10.095 Start of MODEL 16 1 H ALA 1 1H ALA 1 2.836 -12.581 6.522 2 HA ALA 1 HA ALA 1 1.441 -12.730 8.428 3 HB1 ALA 1 3HB ALA 1 2.572 -9.947 7.854 4 HB2 ALA 1 1HB ALA 1 2.157 -10.595 9.476 5 HB3 ALA 1 2HB ALA 1 3.478 -11.346 8.520 6 H GLY 2 H GLY 2 0.590 -9.920 6.244 7 HA2 GLY 2 2HA GLY 2 -2.088 -10.016 7.510 8 HA3 GLY 2 3HA GLY 2 -1.255 -8.501 7.137 9 H LEU 3 H LEU 3 -1.598 -7.565 5.123 10 HA LEU 3 HA LEU 3 -2.931 -9.287 3.126 11 HB2 LEU 3 2HB LEU 3 -3.130 -6.277 3.628 12 HB3 LEU 3 3HB LEU 3 -3.909 -7.138 2.294 13 HG LEU 3 HG LEU 3 -4.481 -7.607 5.268 14 HD11 LEU 3 1HD1 LEU 3 -6.640 -6.520 4.772 15 HD12 LEU 3 2HD1 LEU 3 -5.260 -5.409 4.478 16 HD13 LEU 3 3HD1 LEU 3 -6.092 -6.193 3.093 17 HD21 LEU 3 3HD2 LEU 3 -4.775 -9.628 3.879 18 HD22 LEU 3 1HD2 LEU 3 -6.359 -8.975 4.416 19 HD23 LEU 3 2HD2 LEU 3 -5.798 -8.697 2.733 20 H SER 4 H SER 4 -2.319 -9.054 0.891 21 HA SER 4 HA SER 4 0.110 -7.434 0.459 22 HB2 SER 4 2HB SER 4 0.731 -9.808 0.641 23 HB3 SER 4 3HB SER 4 -0.509 -10.252 -0.539 24 HG SER 4 HG SER 4 1.595 -10.080 -1.487 25 H PHE 5 H PHE 5 -0.004 -6.061 -1.283 26 HA PHE 5 HA PHE 5 -2.058 -6.665 -3.309 27 HB2 PHE 5 2HB PHE 5 -1.388 -3.977 -2.018 28 HB3 PHE 5 3HB PHE 5 -2.364 -4.158 -3.481 29 HD1 PHE 5 HD1 PHE 5 -2.244 -4.712 0.170 30 HD2 PHE 5 HD2 PHE 5 -4.631 -5.039 -3.387 31 HE1 PHE 5 HE1 PHE 5 -4.269 -5.036 1.557 32 HE2 PHE 5 HE2 PHE 5 -6.656 -5.359 -1.998 33 HZ PHE 5 HZ PHE 5 -6.477 -5.359 0.477 34 H HIS 6 H HIS 6 -1.465 -6.224 -5.475 35 HA HIS 6 HA HIS 6 1.361 -5.437 -5.791 36 HB2 HIS 6 2HB HIS 6 0.919 -7.846 -6.273 37 HB3 HIS 6 3HB HIS 6 -0.319 -7.386 -7.448 38 HD2 HIS 6 HD2 HIS 6 0.642 -7.007 -9.997 39 HE1 HIS 6 HE1 HIS 6 4.800 -6.781 -8.999 40 H VAL 7 H VAL 7 1.689 -3.576 -6.953 41 HA VAL 7 HA VAL 7 -0.540 -2.724 -8.672 42 HB VAL 7 HB VAL 7 1.483 -1.024 -7.122 43 HG11 VAL 7 1HG1 VAL 7 0.135 0.898 -7.911 44 HG12 VAL 7 2HG1 VAL 7 0.873 -0.006 -9.276 45 HG13 VAL 7 3HG1 VAL 7 -0.870 -0.217 -8.897 46 HG21 VAL 7 3HG2 VAL 7 -0.215 -2.040 -5.667 47 HG22 VAL 7 1HG2 VAL 7 -0.490 -0.273 -5.833 48 HG23 VAL 7 2HG2 VAL 7 -1.519 -1.431 -6.741 49 H GLU 8 H GLU 8 0.029 -3.062 -10.811 50 HA GLU 8 HA GLU 8 2.696 -3.639 -11.506 51 HB2 GLU 8 2HB GLU 8 0.673 -4.555 -12.636 52 HB3 GLU 8 3HB GLU 8 0.277 -2.941 -13.241 53 HG2 GLU 8 2HG GLU 8 1.345 -4.269 -15.001 54 HG3 GLU 8 3HG GLU 8 2.376 -2.900 -14.564 55 H ASP 9 H ASP 9 0.794 -0.607 -11.490 56 HA ASP 9 HA ASP 9 2.889 0.694 -13.081 57 HB2 ASP 9 2HB ASP 9 0.065 1.466 -12.229 58 HB3 ASP 9 3HB ASP 9 1.196 2.640 -12.916 59 H MET 10 H MET 10 3.305 -0.232 -10.218 60 HA MET 10 HA MET 10 3.030 2.051 -8.537 61 HB2 MET 10 2HB MET 10 3.099 -0.340 -7.781 62 HB3 MET 10 3HB MET 10 4.792 -0.431 -8.284 63 HG2 MET 10 2HG MET 10 5.488 1.130 -6.598 64 HG3 MET 10 3HG MET 10 3.825 1.626 -6.257 65 HE1 MET 10 3HE MET 10 4.031 0.709 -3.204 66 HE2 MET 10 1HE MET 10 5.584 -0.192 -3.227 67 HE3 MET 10 2HE MET 10 5.419 1.338 -4.153 68 H THR 11 H THR 11 4.163 3.933 -8.854 69 HA THR 11 HA THR 11 6.710 3.960 -10.082 70 HB THR 11 HB THR 11 6.765 6.340 -9.303 71 HG1 THR 11 HG1 THR 11 4.464 6.888 -8.322 72 HG21 THR 11 3HG2 THR 11 4.078 5.441 -10.454 73 HG22 THR 11 1HG2 THR 11 4.758 7.101 -10.541 74 HG23 THR 11 2HG2 THR 11 5.582 5.747 -11.387 75 H CYS 12 H CYS 12 8.658 5.097 -8.851 76 HA CYS 12 HA CYS 12 8.877 4.022 -6.057 77 HB2 CYS 12 2HB CYS 12 10.872 4.545 -8.364 78 HB3 CYS 12 3HB CYS 12 11.284 3.831 -6.799 79 HG CYS 12 HG CYS 12 11.293 1.778 -8.741 80 H GLY 13 H GLY 13 9.485 5.411 -4.460 81 HA2 GLY 13 2HA GLY 13 10.875 7.200 -3.783 82 HA3 GLY 13 3HA GLY 13 10.610 7.990 -5.343 83 H HIS 14 H HIS 14 9.722 9.972 -4.647 84 HA HIS 14 HA HIS 14 7.704 9.960 -2.585 85 HB2 HIS 14 2HB HIS 14 8.843 12.186 -4.349 86 HB3 HIS 14 3HB HIS 14 7.719 12.431 -3.005 87 HD2 HIS 14 HD2 HIS 14 11.464 12.382 -3.594 88 HE1 HIS 14 HE1 HIS 14 10.932 11.641 0.590 89 H CYS 15 H CYS 15 6.372 8.391 -4.157 90 HA CYS 15 HA CYS 15 4.207 10.067 -5.235 91 HB2 CYS 15 2HB CYS 15 6.017 9.714 -7.040 92 HB3 CYS 15 3HB CYS 15 5.893 7.971 -6.767 93 HG CYS 15 HG CYS 15 4.528 8.804 -9.179 94 H ALA 16 H ALA 16 5.052 6.613 -5.904 95 HA ALA 16 HA ALA 16 2.746 5.580 -4.726 96 HB1 ALA 16 3HB ALA 16 5.534 4.365 -5.045 97 HB2 ALA 16 1HB ALA 16 4.027 3.453 -4.695 98 HB3 ALA 16 2HB ALA 16 4.209 4.322 -6.257 99 H GLY 17 H GLY 17 5.821 6.707 -3.247 100 HA2 GLY 17 2HA GLY 17 5.643 5.507 -0.767 101 HA3 GLY 17 3HA GLY 17 6.282 7.123 -1.096 102 H VAL 18 H VAL 18 3.611 8.139 -2.165 103 HA VAL 18 HA VAL 18 2.507 9.083 0.185 104 HB VAL 18 HB VAL 18 1.316 8.718 -2.607 105 HG11 VAL 18 1HG1 VAL 18 -0.409 10.354 -1.915 106 HG12 VAL 18 2HG1 VAL 18 -0.498 8.841 -0.952 107 HG13 VAL 18 3HG1 VAL 18 0.235 10.317 -0.239 108 HG21 VAL 18 3HG2 VAL 18 3.257 10.219 -2.484 109 HG22 VAL 18 1HG2 VAL 18 1.751 11.147 -2.797 110 HG23 VAL 18 2HG2 VAL 18 2.477 11.140 -1.154 111 H ILE 19 H ILE 19 1.720 6.123 -1.755 112 HA ILE 19 HA ILE 19 -0.636 5.495 -0.383 113 HB ILE 19 HB ILE 19 1.417 3.791 -1.873 114 HG12 ILE 19 2HG1 ILE 19 -1.414 4.643 -2.634 115 HG13 ILE 19 3HG1 ILE 19 0.037 5.534 -3.108 116 HG21 ILE 19 1HG2 ILE 19 -0.281 1.994 -1.873 117 HG22 ILE 19 2HG2 ILE 19 0.276 2.386 -0.212 118 HG23 ILE 19 3HG2 ILE 19 -1.318 2.979 -0.787 119 HD11 ILE 19 3HD1 ILE 19 -0.589 2.636 -3.828 120 HD12 ILE 19 1HD1 ILE 19 -0.725 4.059 -4.915 121 HD13 ILE 19 2HD1 ILE 19 0.885 3.541 -4.310 122 H LYS 20 H LYS 20 2.847 4.595 0.209 123 HA LYS 20 HA LYS 20 2.369 2.734 2.226 124 HB2 LYS 20 2HB LYS 20 4.528 3.084 1.045 125 HB3 LYS 20 3HB LYS 20 4.709 4.659 1.828 126 HG2 LYS 20 2HG LYS 20 4.782 3.537 4.059 127 HG3 LYS 20 3HG LYS 20 4.611 1.963 3.270 128 HD2 LYS 20 2HD LYS 20 6.723 2.529 1.917 129 HD3 LYS 20 3HD LYS 20 6.924 3.944 2.959 130 HE2 LYS 20 2HE LYS 20 6.571 1.166 4.160 131 HE3 LYS 20 3HE LYS 20 8.153 1.703 3.580 132 HZ1 LYS 20 3HZ LYS 20 6.536 2.879 5.731 133 HZ2 LYS 20 1HZ LYS 20 8.057 2.289 5.811 134 HZ3 LYS 20 2HZ LYS 20 7.769 3.702 5.046 135 H GLY 21 H GLY 21 3.062 6.329 2.493 136 HA2 GLY 21 2HA GLY 21 2.880 6.367 5.305 137 HA3 GLY 21 3HA GLY 21 2.738 7.743 4.203 138 H ALA 22 H ALA 22 0.392 6.856 2.688 139 HA ALA 22 HA ALA 22 -1.622 7.824 4.371 140 HB1 ALA 22 3HB ALA 22 -1.780 6.180 1.796 141 HB2 ALA 22 1HB ALA 22 -3.130 7.109 2.531 142 HB3 ALA 22 2HB ALA 22 -1.681 7.970 1.912 143 H ILE 23 H ILE 23 -0.625 4.433 3.539 144 HA ILE 23 HA ILE 23 -2.818 3.249 4.858 145 HB ILE 23 HB ILE 23 -0.030 2.251 4.100 146 HG12 ILE 23 2HG1 ILE 23 -2.784 1.561 2.974 147 HG13 ILE 23 3HG1 ILE 23 -1.743 2.826 2.308 148 HG21 ILE 23 1HG2 ILE 23 -0.855 -0.026 4.597 149 HG22 ILE 23 2HG2 ILE 23 -0.802 1.002 6.069 150 HG23 ILE 23 3HG2 ILE 23 -2.371 0.672 5.260 151 HD11 ILE 23 3HD1 ILE 23 -1.035 -0.135 2.524 152 HD12 ILE 23 1HD1 ILE 23 -1.526 0.740 1.034 153 HD13 ILE 23 2HD1 ILE 23 0.022 1.150 1.847 154 H GLU 24 H GLU 24 0.570 4.105 5.904 155 HA GLU 24 HA GLU 24 0.508 2.774 8.344 156 HB2 GLU 24 2HB GLU 24 1.952 5.270 7.358 157 HB3 GLU 24 3HB GLU 24 2.218 4.604 8.975 158 HG2 GLU 24 2HG GLU 24 3.051 2.503 8.046 159 HG3 GLU 24 3HG GLU 24 2.612 2.998 6.405 160 H LYS 25 H LYS 25 -0.804 6.005 7.395 161 HA LYS 25 HA LYS 25 -1.136 6.906 10.065 162 HB2 LYS 25 2HB LYS 25 -2.297 7.729 7.368 163 HB3 LYS 25 3HB LYS 25 -2.733 8.545 8.876 164 HG2 LYS 25 2HG LYS 25 -0.316 9.102 9.254 165 HG3 LYS 25 3HG LYS 25 0.092 8.320 7.721 166 HD2 LYS 25 2HD LYS 25 -1.441 9.914 6.519 167 HD3 LYS 25 3HD LYS 25 -1.797 10.712 8.057 168 HE2 LYS 25 2HE LYS 25 0.623 11.267 8.336 169 HE3 LYS 25 3HE LYS 25 0.990 10.455 6.809 170 HZ1 LYS 25 3HZ LYS 25 -0.768 12.806 7.106 171 HZ2 LYS 25 1HZ LYS 25 0.756 12.819 6.520 172 HZ3 LYS 25 2HZ LYS 25 -0.429 12.056 5.695 173 H THR 26 H THR 26 -3.173 4.972 7.797 174 HA THR 26 HA THR 26 -5.509 5.583 9.415 175 HB THR 26 HB THR 26 -6.753 4.427 7.596 176 HG1 THR 26 HG1 THR 26 -4.289 4.296 6.104 177 HG21 THR 26 3HG2 THR 26 -4.716 6.479 6.596 178 HG22 THR 26 1HG2 THR 26 -6.263 6.054 5.789 179 HG23 THR 26 2HG2 THR 26 -6.279 6.843 7.402 180 H VAL 27 H VAL 27 -3.119 3.028 8.946 181 HA VAL 27 HA VAL 27 -4.928 1.104 10.214 182 HB VAL 27 HB VAL 27 -2.223 0.710 8.835 183 HG11 VAL 27 1HG1 VAL 27 -2.746 -1.706 9.000 184 HG12 VAL 27 2HG1 VAL 27 -2.608 -0.939 10.619 185 HG13 VAL 27 3HG1 VAL 27 -4.227 -1.316 9.938 186 HG21 VAL 27 3HG2 VAL 27 -4.007 1.321 7.258 187 HG22 VAL 27 1HG2 VAL 27 -3.550 -0.405 7.067 188 HG23 VAL 27 2HG2 VAL 27 -5.062 0.033 7.933 189 HA PRO 28 HA PRO 28 -2.569 2.194 13.854 190 HB2 PRO 28 2HB PRO 28 -4.220 0.903 15.664 191 HB3 PRO 28 3HB PRO 28 -4.731 2.409 14.891 192 HG2 PRO 28 2HG PRO 28 -5.433 -0.452 14.146 193 HG3 PRO 28 3HG PRO 28 -6.499 0.953 14.274 194 HD2 PRO 28 2HD PRO 28 -5.571 0.103 11.854 195 HD3 PRO 28 3HD PRO 28 -5.836 1.821 12.177 196 H GLY 29 H GLY 29 -0.765 1.380 14.731 197 HA2 GLY 29 2HA GLY 29 0.650 -0.126 15.602 198 HA3 GLY 29 3HA GLY 29 -0.798 -0.952 16.193 199 H ALA 30 H ALA 30 0.568 -0.470 12.822 200 HA ALA 30 HA ALA 30 1.056 -3.349 12.711 201 HB1 ALA 30 3HB ALA 30 -0.670 -1.804 10.713 202 HB2 ALA 30 1HB ALA 30 -0.097 -3.495 10.515 203 HB3 ALA 30 2HB ALA 30 -1.235 -3.081 11.842 204 H ALA 31 H ALA 31 2.604 -3.958 11.052 205 HA ALA 31 HA ALA 31 4.364 -1.720 10.403 206 HB1 ALA 31 3HB ALA 31 4.682 -4.752 10.158 207 HB2 ALA 31 1HB ALA 31 5.958 -3.533 9.823 208 HB3 ALA 31 2HB ALA 31 5.309 -3.720 11.488 209 H VAL 32 H VAL 32 4.268 -0.721 8.442 210 HA VAL 32 HA VAL 32 3.007 -2.236 6.273 211 HB VAL 32 HB VAL 32 3.412 0.779 6.634 212 HG11 VAL 32 1HG1 VAL 32 1.944 0.990 4.654 213 HG12 VAL 32 2HG1 VAL 32 3.464 0.115 4.269 214 HG13 VAL 32 3HG1 VAL 32 1.932 -0.797 4.479 215 HG21 VAL 32 3HG2 VAL 32 1.742 -0.150 8.183 216 HG22 VAL 32 1HG2 VAL 32 0.952 0.837 6.907 217 HG23 VAL 32 2HG2 VAL 32 0.904 -0.956 6.814 218 H HIS 33 H HIS 33 4.340 -2.988 4.657 219 HA HIS 33 HA HIS 33 6.858 -1.512 4.229 220 HB2 HIS 33 2HB HIS 33 6.366 -4.521 3.992 221 HB3 HIS 33 3HB HIS 33 7.884 -3.685 3.637 222 HD2 HIS 33 HD2 HIS 33 5.921 -5.090 6.689 223 HE1 HIS 33 HE1 HIS 33 9.452 -3.177 8.173 224 H ALA 34 H ALA 34 6.513 -0.360 2.335 225 HA ALA 34 HA ALA 34 5.259 -1.822 0.114 226 HB1 ALA 34 3HB ALA 34 5.905 1.141 0.516 227 HB2 ALA 34 1HB ALA 34 5.107 0.429 -0.927 228 HB3 ALA 34 2HB ALA 34 4.288 0.374 0.670 229 H ASP 35 H ASP 35 6.490 -2.603 -1.551 230 HA ASP 35 HA ASP 35 9.181 -1.428 -1.850 231 HB2 ASP 35 2HB ASP 35 9.263 -3.756 -1.029 232 HB3 ASP 35 3HB ASP 35 8.211 -4.283 -2.350 233 HA PRO 36 HA PRO 36 7.045 -0.401 -5.718 234 HB2 PRO 36 2HB PRO 36 8.636 1.785 -6.305 235 HB3 PRO 36 3HB PRO 36 7.354 1.905 -5.093 236 HG2 PRO 36 2HG PRO 36 10.330 1.443 -4.681 237 HG3 PRO 36 3HG PRO 36 9.252 2.554 -3.826 238 HD2 PRO 36 2HD PRO 36 9.930 0.141 -2.753 239 HD3 PRO 36 3HD PRO 36 8.330 0.843 -2.481 240 H ALA 37 H ALA 37 10.464 -1.167 -5.150 241 HA ALA 37 HA ALA 37 11.082 -1.506 -7.899 242 HB1 ALA 37 3HB ALA 37 12.214 -2.804 -5.373 243 HB2 ALA 37 1HB ALA 37 12.960 -2.861 -7.006 244 HB3 ALA 37 2HB ALA 37 12.797 -1.292 -6.147 245 H SER 38 H SER 38 9.639 -3.669 -5.364 246 HA SER 38 HA SER 38 9.332 -5.761 -7.386 247 HB2 SER 38 2HB SER 38 8.586 -5.603 -4.431 248 HB3 SER 38 3HB SER 38 8.364 -7.022 -5.463 249 HG SER 38 HG SER 38 10.652 -6.032 -4.247 250 H ARG 39 H ARG 39 7.693 -2.908 -6.439 251 HA ARG 39 HA ARG 39 5.759 -2.081 -7.098 252 HB2 ARG 39 2HB ARG 39 5.458 -4.572 -8.793 253 HB3 ARG 39 3HB ARG 39 4.508 -3.087 -8.926 254 HG2 ARG 39 2HG ARG 39 6.772 -1.887 -9.331 255 HG3 ARG 39 3HG ARG 39 7.448 -3.504 -9.563 256 HD2 ARG 39 2HD ARG 39 5.294 -2.133 -11.168 257 HD3 ARG 39 3HD ARG 39 6.921 -2.593 -11.687 258 HE ARG 39 HE ARG 39 4.570 -4.292 -11.562 259 HH11 ARG 39 1HH1 ARG 39 8.081 -4.243 -11.696 260 HH12 ARG 39 2HH1 ARG 39 8.194 -5.863 -12.299 261 HH21 ARG 39 1HH2 ARG 39 4.730 -6.362 -12.345 262 HH22 ARG 39 2HH2 ARG 39 6.272 -7.080 -12.673 263 H THR 40 H THR 40 5.928 -3.772 -4.647 264 HA THR 40 HA THR 40 3.173 -4.759 -4.595 265 HB THR 40 HB THR 40 5.628 -6.259 -3.540 266 HG1 THR 40 HG1 THR 40 5.389 -6.422 -5.847 267 HG21 THR 40 3HG2 THR 40 2.660 -6.993 -3.557 268 HG22 THR 40 1HG2 THR 40 4.005 -8.055 -3.019 269 HG23 THR 40 2HG2 THR 40 3.634 -6.548 -2.116 270 H VAL 41 H VAL 41 2.072 -4.226 -2.695 271 HA VAL 41 HA VAL 41 3.737 -3.089 -0.554 272 HB VAL 41 HB VAL 41 0.821 -2.519 -1.291 273 HG11 VAL 41 1HG1 VAL 41 0.964 -0.751 0.442 274 HG12 VAL 41 2HG1 VAL 41 1.208 -2.389 1.137 275 HG13 VAL 41 3HG1 VAL 41 2.617 -1.310 0.867 276 HG21 VAL 41 3HG2 VAL 41 2.412 -1.538 -2.886 277 HG22 VAL 41 1HG2 VAL 41 1.655 -0.263 -1.873 278 HG23 VAL 41 2HG2 VAL 41 3.334 -0.801 -1.532 279 H VAL 42 H VAL 42 3.743 -4.181 1.392 280 HA VAL 42 HA VAL 42 1.539 -6.085 1.809 281 HB VAL 42 HB VAL 42 4.462 -6.255 2.704 282 HG11 VAL 42 1HG1 VAL 42 3.840 -8.475 3.604 283 HG12 VAL 42 2HG1 VAL 42 2.942 -7.149 4.416 284 HG13 VAL 42 3HG1 VAL 42 2.124 -8.161 3.179 285 HG21 VAL 42 3HG2 VAL 42 4.140 -6.767 0.322 286 HG22 VAL 42 1HG2 VAL 42 4.530 -8.255 1.248 287 HG23 VAL 42 2HG2 VAL 42 2.839 -7.934 0.736 288 H VAL 43 H VAL 43 0.328 -5.809 3.677 289 HA VAL 43 HA VAL 43 1.512 -4.061 5.725 290 HB VAL 43 HB VAL 43 -1.432 -4.577 5.053 291 HG11 VAL 43 1HG1 VAL 43 -1.898 -2.832 6.746 292 HG12 VAL 43 2HG1 VAL 43 -1.082 -4.261 7.466 293 HG13 VAL 43 3HG1 VAL 43 -0.149 -2.760 7.146 294 HG21 VAL 43 3HG2 VAL 43 -0.311 -3.144 3.403 295 HG22 VAL 43 1HG2 VAL 43 -1.454 -2.189 4.406 296 HG23 VAL 43 2HG2 VAL 43 0.312 -2.092 4.719 297 H GLY 44 H GLY 44 2.104 -5.143 7.590 298 HA2 GLY 44 2HA GLY 44 1.334 -7.912 7.837 299 HA3 GLY 44 3HA GLY 44 2.459 -6.997 8.850 300 H GLY 45 H GLY 45 0.424 -8.861 9.850 301 HA2 GLY 45 2HA GLY 45 -0.753 -8.798 11.800 302 HA3 GLY 45 3HA GLY 45 -0.783 -7.031 11.742 303 H VAL 46 H VAL 46 -2.794 -6.130 11.423 304 HA VAL 46 HA VAL 46 -4.623 -7.610 9.677 305 HB VAL 46 HB VAL 46 -5.306 -6.317 12.367 306 HG11 VAL 46 1HG1 VAL 46 -7.611 -7.103 11.926 307 HG12 VAL 46 2HG1 VAL 46 -7.066 -5.908 10.701 308 HG13 VAL 46 3HG1 VAL 46 -7.105 -7.657 10.294 309 HG21 VAL 46 3HG2 VAL 46 -4.246 -8.524 12.588 310 HG22 VAL 46 1HG2 VAL 46 -5.989 -8.608 13.012 311 HG23 VAL 46 2HG2 VAL 46 -5.420 -9.220 11.422 312 H SER 47 H SER 47 -5.827 -6.300 8.252 313 HA SER 47 HA SER 47 -6.041 -3.458 8.788 314 HB2 SER 47 2HB SER 47 -3.834 -3.591 7.725 315 HB3 SER 47 3HB SER 47 -4.492 -4.567 6.406 316 HG SER 47 HG SER 47 -5.570 -1.981 7.025 317 H ASP 48 H ASP 48 -7.848 -2.544 7.747 318 HA ASP 48 HA ASP 48 -9.712 -4.274 6.505 319 HB2 ASP 48 2HB ASP 48 -10.280 -2.186 7.750 320 HB3 ASP 48 3HB ASP 48 -9.485 -1.226 6.496 321 H ALA 49 H ALA 49 -9.385 -5.223 4.521 322 HA ALA 49 HA ALA 49 -7.427 -4.334 2.731 323 HB1 ALA 49 3HB ALA 49 -9.879 -6.113 2.299 324 HB2 ALA 49 1HB ALA 49 -8.472 -5.981 1.191 325 HB3 ALA 49 2HB ALA 49 -8.254 -6.653 2.843 326 H ALA 50 H ALA 50 -10.932 -3.547 3.006 327 HA ALA 50 HA ALA 50 -11.255 -2.486 0.436 328 HB1 ALA 50 3HB ALA 50 -12.577 -1.743 3.092 329 HB2 ALA 50 1HB ALA 50 -13.180 -1.299 1.460 330 HB3 ALA 50 2HB ALA 50 -13.118 -3.024 1.955 331 H HIS 51 H HIS 51 -10.028 -0.985 3.511 332 HA HIS 51 HA HIS 51 -10.048 1.644 2.440 333 HB2 HIS 51 2HB HIS 51 -8.664 0.334 4.825 334 HB3 HIS 51 3HB HIS 51 -8.501 2.055 4.450 335 HD2 HIS 51 HD2 HIS 51 -12.033 1.693 3.597 336 HE1 HIS 51 HE1 HIS 51 -12.095 1.936 7.870 337 H ILE 52 H ILE 52 -7.567 -0.996 2.645 338 HA ILE 52 HA ILE 52 -5.398 0.599 1.898 339 HB ILE 52 HB ILE 52 -5.927 -2.387 1.465 340 HG12 ILE 52 2HG1 ILE 52 -6.036 -1.712 3.822 341 HG13 ILE 52 3HG1 ILE 52 -4.597 -2.692 3.505 342 HG21 ILE 52 1HG2 ILE 52 -3.470 -2.588 1.281 343 HG22 ILE 52 2HG2 ILE 52 -4.157 -1.568 -0.028 344 HG23 ILE 52 3HG2 ILE 52 -3.321 -0.800 1.364 345 HD11 ILE 52 3HD1 ILE 52 -4.664 0.350 3.752 346 HD12 ILE 52 1HD1 ILE 52 -4.076 -0.810 4.991 347 HD13 ILE 52 2HD1 ILE 52 -3.203 -0.645 3.430 348 H ALA 53 H ALA 53 -7.770 -1.347 -0.072 349 HA ALA 53 HA ALA 53 -6.477 -0.889 -2.535 350 HB1 ALA 53 3HB ALA 53 -9.405 -1.465 -1.852 351 HB2 ALA 53 1HB ALA 53 -8.665 -1.594 -3.484 352 HB3 ALA 53 2HB ALA 53 -8.125 -2.686 -2.164 353 H GLU 54 H GLU 54 -8.979 0.978 -0.691 354 HA GLU 54 HA GLU 54 -9.553 2.781 -2.777 355 HB2 GLU 54 2HB GLU 54 -9.751 2.903 0.262 356 HB3 GLU 54 3HB GLU 54 -10.242 4.256 -0.766 357 HG2 GLU 54 2HG GLU 54 -11.959 2.903 -1.848 358 HG3 GLU 54 3HG GLU 54 -11.382 1.435 -1.049 359 H ILE 55 H ILE 55 -7.009 2.741 -0.193 360 HA ILE 55 HA ILE 55 -6.116 5.353 -0.656 361 HB ILE 55 HB ILE 55 -4.775 2.846 0.462 362 HG12 ILE 55 2HG1 ILE 55 -5.624 5.433 1.837 363 HG13 ILE 55 3HG1 ILE 55 -6.686 4.027 1.686 364 HG21 ILE 55 1HG2 ILE 55 -2.953 4.319 1.252 365 HG22 ILE 55 2HG2 ILE 55 -3.037 4.263 -0.541 366 HG23 ILE 55 3HG2 ILE 55 -3.673 5.691 0.344 367 HD11 ILE 55 3HD1 ILE 55 -3.974 4.070 3.084 368 HD12 ILE 55 1HD1 ILE 55 -5.585 4.072 3.878 369 HD13 ILE 55 2HD1 ILE 55 -5.052 2.642 2.931 370 H ILE 56 H ILE 56 -5.132 2.145 -2.086 371 HA ILE 56 HA ILE 56 -2.929 3.171 -3.478 372 HB ILE 56 HB ILE 56 -4.701 0.720 -3.908 373 HG12 ILE 56 2HG1 ILE 56 -1.839 0.956 -2.875 374 HG13 ILE 56 3HG1 ILE 56 -3.258 0.943 -1.819 375 HG21 ILE 56 1HG2 ILE 56 -2.930 -0.118 -5.418 376 HG22 ILE 56 2HG2 ILE 56 -3.705 1.371 -6.058 377 HG23 ILE 56 3HG2 ILE 56 -2.082 1.460 -5.293 378 HD11 ILE 56 3HD1 ILE 56 -2.447 -1.282 -3.744 379 HD12 ILE 56 1HD1 ILE 56 -2.239 -1.284 -1.960 380 HD13 ILE 56 2HD1 ILE 56 -3.888 -1.296 -2.671 381 H THR 57 H THR 57 -6.408 2.653 -4.446 382 HA THR 57 HA THR 57 -5.973 3.447 -7.119 383 HB THR 57 HB THR 57 -8.480 3.654 -7.172 384 HG1 THR 57 HG1 THR 57 -8.366 2.767 -4.409 385 HG21 THR 57 3HG2 THR 57 -7.402 1.157 -5.775 386 HG22 THR 57 1HG2 THR 57 -8.950 1.273 -6.678 387 HG23 THR 57 2HG2 THR 57 -7.388 1.473 -7.543 388 H ALA 58 H ALA 58 -6.676 5.213 -4.068 389 HA ALA 58 HA ALA 58 -7.472 7.640 -5.259 390 HB1 ALA 58 3HB ALA 58 -6.056 7.049 -2.613 391 HB2 ALA 58 1HB ALA 58 -6.858 8.595 -3.050 392 HB3 ALA 58 2HB ALA 58 -7.831 7.094 -2.884 393 H ALA 59 H ALA 59 -4.265 6.118 -4.779 394 HA ALA 59 HA ALA 59 -2.855 8.549 -5.393 395 HB1 ALA 59 3HB ALA 59 -1.997 5.615 -5.330 396 HB2 ALA 59 1HB ALA 59 -0.896 7.025 -5.487 397 HB3 ALA 59 2HB ALA 59 -1.854 6.796 -3.985 398 H GLY 60 H GLY 60 -4.733 6.343 -7.272 399 HA2 GLY 60 2HA GLY 60 -5.230 6.846 -9.465 400 HA3 GLY 60 3HA GLY 60 -3.705 7.726 -9.628 401 H TYR 61 H TYR 61 -3.208 4.678 -8.050 402 HA TYR 61 HA TYR 61 -2.487 3.471 -10.646 403 HB2 TYR 61 2HB TYR 61 -1.083 3.147 -7.949 404 HB3 TYR 61 3HB TYR 61 -0.606 2.397 -9.478 405 HD1 TYR 61 HD1 TYR 61 -0.092 4.065 -11.465 406 HD2 TYR 61 HD2 TYR 61 -0.112 5.184 -7.320 407 HE1 TYR 61 HE1 TYR 61 1.325 6.026 -11.990 408 HE2 TYR 61 HE2 TYR 61 1.305 7.147 -7.840 409 HH TYR 61 HH TYR 61 2.595 8.132 -9.392 410 H THR 62 H THR 62 -4.715 2.514 -10.615 411 HA THR 62 HA THR 62 -5.726 0.918 -8.655 412 HB THR 62 HB THR 62 -5.779 0.416 -11.679 413 HG1 THR 62 HG1 THR 62 -7.800 1.629 -11.500 414 HG21 THR 62 3HG2 THR 62 -7.663 -0.493 -9.447 415 HG22 THR 62 1HG2 THR 62 -7.914 -0.750 -11.207 416 HG23 THR 62 2HG2 THR 62 -6.532 -1.538 -10.372 417 HA PRO 63 HA PRO 63 -2.688 -2.342 -8.428 418 HB2 PRO 63 2HB PRO 63 -3.998 -3.869 -6.524 419 HB3 PRO 63 3HB PRO 63 -3.225 -2.342 -6.078 420 HG2 PRO 63 2HG PRO 63 -6.150 -2.890 -6.695 421 HG3 PRO 63 3HG PRO 63 -5.454 -1.954 -5.366 422 HD2 PRO 63 2HD PRO 63 -6.441 -0.725 -7.593 423 HD3 PRO 63 3HD PRO 63 -5.048 -0.063 -6.726 424 H GLU 64 H GLU 64 -2.260 -4.348 -9.258 425 HA GLU 64 HA GLU 64 -4.229 -5.298 -11.114 426 HB2 GLU 64 2HB GLU 64 -1.784 -5.269 -11.578 427 HB3 GLU 64 3HB GLU 64 -1.514 -6.407 -10.252 428 HG2 GLU 64 2HG GLU 64 -2.856 -8.130 -11.434 429 HG3 GLU 64 3HG GLU 64 -3.188 -6.992 -12.746 Start of MODEL 17 1 H ALA 1 1H ALA 1 -2.811 -14.421 8.206 2 HA ALA 1 HA ALA 1 -0.881 -13.239 8.893 3 HB1 ALA 1 3HB ALA 1 -0.998 -13.926 5.917 4 HB2 ALA 1 1HB ALA 1 0.499 -13.748 6.894 5 HB3 ALA 1 2HB ALA 1 -0.662 -15.068 7.261 6 H GLY 2 H GLY 2 -2.061 -11.934 5.665 7 HA2 GLY 2 2HA GLY 2 -2.030 -9.269 6.430 8 HA3 GLY 2 3HA GLY 2 -0.394 -9.644 5.873 9 H LEU 3 H LEU 3 -1.654 -7.761 4.380 10 HA LEU 3 HA LEU 3 -2.956 -9.202 2.158 11 HB2 LEU 3 2HB LEU 3 -3.095 -6.299 3.105 12 HB3 LEU 3 3HB LEU 3 -3.798 -6.873 1.587 13 HG LEU 3 HG LEU 3 -4.590 -7.856 4.380 14 HD11 LEU 3 1HD1 LEU 3 -6.680 -6.620 3.953 15 HD12 LEU 3 2HD1 LEU 3 -5.257 -5.525 3.960 16 HD13 LEU 3 3HD1 LEU 3 -6.008 -6.012 2.403 17 HD21 LEU 3 3HD2 LEU 3 -4.831 -9.576 2.625 18 HD22 LEU 3 1HD2 LEU 3 -6.434 -8.976 3.169 19 HD23 LEU 3 2HD2 LEU 3 -5.749 -8.416 1.606 20 H SER 4 H SER 4 -2.302 -8.776 -0.021 21 HA SER 4 HA SER 4 0.211 -7.244 -0.258 22 HB2 SER 4 2HB SER 4 0.706 -9.651 -0.276 23 HB3 SER 4 3HB SER 4 -0.529 -9.927 -1.511 24 HG SER 4 HG SER 4 1.601 -9.782 -2.405 25 H PHE 5 H PHE 5 0.219 -5.721 -1.874 26 HA PHE 5 HA PHE 5 -1.866 -5.996 -3.943 27 HB2 PHE 5 2HB PHE 5 -0.913 -3.436 -2.567 28 HB3 PHE 5 3HB PHE 5 -2.060 -3.520 -3.911 29 HD1 PHE 5 HD1 PHE 5 -1.557 -4.148 -0.308 30 HD2 PHE 5 HD2 PHE 5 -4.349 -4.301 -3.572 31 HE1 PHE 5 HE1 PHE 5 -3.426 -4.388 1.299 32 HE2 PHE 5 HE2 PHE 5 -6.215 -4.541 -1.963 33 HZ PHE 5 HZ PHE 5 -5.756 -4.589 0.476 34 H HIS 6 H HIS 6 -1.253 -5.363 -6.078 35 HA HIS 6 HA HIS 6 1.652 -4.942 -6.366 36 HB2 HIS 6 2HB HIS 6 1.066 -7.320 -6.755 37 HB3 HIS 6 3HB HIS 6 -0.162 -6.842 -7.934 38 HD2 HIS 6 HD2 HIS 6 0.781 -6.844 -10.499 39 HE1 HIS 6 HE1 HIS 6 4.950 -6.467 -9.598 40 H VAL 7 H VAL 7 2.165 -3.202 -7.645 41 HA VAL 7 HA VAL 7 0.102 -2.336 -9.550 42 HB VAL 7 HB VAL 7 1.841 -0.585 -7.739 43 HG11 VAL 7 1HG1 VAL 7 0.657 1.320 -8.785 44 HG12 VAL 7 2HG1 VAL 7 1.622 0.393 -9.983 45 HG13 VAL 7 3HG1 VAL 7 -0.161 0.186 -9.913 46 HG21 VAL 7 3HG2 VAL 7 -0.090 -1.577 -6.584 47 HG22 VAL 7 1HG2 VAL 7 -0.329 0.186 -6.830 48 HG23 VAL 7 2HG2 VAL 7 -1.183 -0.991 -7.883 49 H GLU 8 H GLU 8 0.923 -2.500 -11.617 50 HA GLU 8 HA GLU 8 3.642 -3.110 -12.027 51 HB2 GLU 8 2HB GLU 8 1.353 -2.313 -13.880 52 HB3 GLU 8 3HB GLU 8 2.964 -2.732 -14.478 53 HG2 GLU 8 2HG GLU 8 1.185 -4.577 -12.808 54 HG3 GLU 8 3HG GLU 8 1.337 -4.634 -14.569 55 H ASP 9 H ASP 9 1.893 -0.028 -11.825 56 HA ASP 9 HA ASP 9 4.106 1.337 -13.189 57 HB2 ASP 9 2HB ASP 9 1.344 2.275 -12.274 58 HB3 ASP 9 3HB ASP 9 2.553 3.310 -13.045 59 H MET 10 H MET 10 4.184 0.089 -10.348 60 HA MET 10 HA MET 10 4.047 2.320 -8.557 61 HB2 MET 10 2HB MET 10 3.595 -0.046 -7.908 62 HB3 MET 10 3HB MET 10 5.273 -0.465 -8.273 63 HG2 MET 10 2HG MET 10 6.106 0.903 -6.463 64 HG3 MET 10 3HG MET 10 4.522 1.647 -6.207 65 HE1 MET 10 3HE MET 10 4.863 0.932 -3.467 66 HE2 MET 10 1HE MET 10 5.414 -0.728 -3.057 67 HE3 MET 10 2HE MET 10 6.445 0.336 -4.073 68 H THR 11 H THR 11 5.530 3.975 -8.632 69 HA THR 11 HA THR 11 8.326 3.201 -9.040 70 HB THR 11 HB THR 11 8.758 5.593 -9.375 71 HG1 THR 11 HG1 THR 11 6.283 6.633 -9.562 72 HG21 THR 11 3HG2 THR 11 6.299 4.653 -10.929 73 HG22 THR 11 1HG2 THR 11 7.418 5.968 -11.423 74 HG23 THR 11 2HG2 THR 11 8.011 4.276 -11.321 75 H CYS 12 H CYS 12 9.847 4.857 -7.640 76 HA CYS 12 HA CYS 12 9.039 4.436 -4.796 77 HB2 CYS 12 2HB CYS 12 11.127 3.431 -5.936 78 HB3 CYS 12 3HB CYS 12 11.630 5.071 -6.367 79 HG CYS 12 HG CYS 12 13.191 4.213 -4.172 80 H GLY 13 H GLY 13 8.338 6.115 -3.615 81 HA2 GLY 13 2HA GLY 13 8.663 8.218 -2.700 82 HA3 GLY 13 3HA GLY 13 9.581 8.715 -4.128 83 H HIS 14 H HIS 14 7.655 7.832 -6.175 84 HA HIS 14 HA HIS 14 5.746 10.013 -5.826 85 HB2 HIS 14 2HB HIS 14 6.522 8.288 -8.228 86 HB3 HIS 14 3HB HIS 14 5.309 9.575 -8.269 87 HD2 HIS 14 HD2 HIS 14 9.019 9.172 -8.902 88 HE1 HIS 14 HE1 HIS 14 8.435 13.322 -8.034 89 H CYS 15 H CYS 15 5.901 6.559 -5.449 90 HA CYS 15 HA CYS 15 2.916 6.396 -5.412 91 HB2 CYS 15 2HB CYS 15 4.014 5.597 -7.597 92 HB3 CYS 15 3HB CYS 15 5.086 4.562 -6.645 93 HG CYS 15 HG CYS 15 1.699 4.157 -7.066 94 H ALA 16 H ALA 16 5.941 4.446 -4.749 95 HA ALA 16 HA ALA 16 4.814 2.972 -2.691 96 HB1 ALA 16 3HB ALA 16 7.694 3.915 -3.092 97 HB2 ALA 16 1HB ALA 16 7.168 2.583 -2.008 98 HB3 ALA 16 2HB ALA 16 6.952 2.434 -3.785 99 H GLY 17 H GLY 17 6.612 6.155 -2.521 100 HA2 GLY 17 2HA GLY 17 6.480 6.375 0.276 101 HA3 GLY 17 3HA GLY 17 6.686 7.689 -0.890 102 H VAL 18 H VAL 18 4.144 7.333 -2.344 103 HA VAL 18 HA VAL 18 2.549 8.884 -0.606 104 HB VAL 18 HB VAL 18 1.996 7.565 -3.308 105 HG11 VAL 18 1HG1 VAL 18 0.019 9.051 -3.445 106 HG12 VAL 18 2HG1 VAL 18 -0.117 7.879 -2.091 107 HG13 VAL 18 3HG1 VAL 18 0.314 9.590 -1.758 108 HG21 VAL 18 3HG2 VAL 18 3.721 9.311 -3.342 109 HG22 VAL 18 1HG2 VAL 18 2.227 9.873 -4.165 110 HG23 VAL 18 2HG2 VAL 18 2.607 10.446 -2.506 111 H ILE 19 H ILE 19 2.300 5.459 -1.850 112 HA ILE 19 HA ILE 19 -0.207 5.004 -0.660 113 HB ILE 19 HB ILE 19 2.021 3.155 -1.635 114 HG12 ILE 19 2HG1 ILE 19 -0.757 3.721 -2.766 115 HG13 ILE 19 3HG1 ILE 19 0.699 4.593 -3.265 116 HG21 ILE 19 1HG2 ILE 19 0.390 1.305 -1.456 117 HG22 ILE 19 2HG2 ILE 19 0.783 2.006 0.150 118 HG23 ILE 19 3HG2 ILE 19 -0.772 2.413 -0.651 119 HD11 ILE 19 3HD1 ILE 19 0.248 1.586 -3.519 120 HD12 ILE 19 1HD1 ILE 19 0.161 2.795 -4.844 121 HD13 ILE 19 2HD1 ILE 19 1.726 2.472 -4.025 122 H LYS 20 H LYS 20 3.209 4.396 0.444 123 HA LYS 20 HA LYS 20 2.540 2.795 2.636 124 HB2 LYS 20 2HB LYS 20 4.808 3.020 1.645 125 HB3 LYS 20 3HB LYS 20 4.894 4.696 2.203 126 HG2 LYS 20 2HG LYS 20 4.787 3.939 4.564 127 HG3 LYS 20 3HG LYS 20 4.633 2.258 4.034 128 HD2 LYS 20 2HD LYS 20 6.857 2.379 2.927 129 HD3 LYS 20 3HD LYS 20 7.008 4.082 3.378 130 HE2 LYS 20 2HE LYS 20 6.877 3.442 5.802 131 HE3 LYS 20 3HE LYS 20 6.755 1.739 5.338 132 HZ1 LYS 20 3HZ LYS 20 9.037 3.509 4.730 133 HZ2 LYS 20 1HZ LYS 20 9.005 2.349 5.879 134 HZ3 LYS 20 2HZ LYS 20 8.925 1.937 4.302 135 H GLY 21 H GLY 21 3.179 6.407 2.470 136 HA2 GLY 21 2HA GLY 21 2.626 6.851 5.195 137 HA3 GLY 21 3HA GLY 21 2.601 8.043 3.889 138 H ALA 22 H ALA 22 0.488 6.706 2.266 139 HA ALA 22 HA ALA 22 -1.696 8.014 3.459 140 HB1 ALA 22 3HB ALA 22 -1.563 5.945 1.212 141 HB2 ALA 22 1HB ALA 22 -2.971 6.995 1.587 142 HB3 ALA 22 2HB ALA 22 -1.428 7.726 1.028 143 H ILE 23 H ILE 23 -0.825 4.479 3.216 144 HA ILE 23 HA ILE 23 -3.200 3.671 4.537 145 HB ILE 23 HB ILE 23 -0.519 2.275 4.056 146 HG12 ILE 23 2HG1 ILE 23 -3.227 1.860 2.710 147 HG13 ILE 23 3HG1 ILE 23 -1.985 2.946 2.073 148 HG21 ILE 23 1HG2 ILE 23 -1.709 0.181 4.618 149 HG22 ILE 23 2HG2 ILE 23 -1.641 1.308 6.016 150 HG23 ILE 23 3HG2 ILE 23 -3.161 1.133 5.076 151 HD11 ILE 23 3HD1 ILE 23 -1.665 -0.056 2.530 152 HD12 ILE 23 1HD1 ILE 23 -1.912 0.764 0.951 153 HD13 ILE 23 2HD1 ILE 23 -0.403 1.047 1.884 154 H GLU 24 H GLU 24 0.232 4.292 5.598 155 HA GLU 24 HA GLU 24 -0.057 3.183 8.154 156 HB2 GLU 24 2HB GLU 24 2.103 3.690 7.040 157 HB3 GLU 24 3HB GLU 24 1.761 5.422 7.142 158 HG2 GLU 24 2HG GLU 24 1.789 5.299 9.622 159 HG3 GLU 24 3HG GLU 24 2.083 3.557 9.544 160 H LYS 25 H LYS 25 -0.776 6.491 6.871 161 HA LYS 25 HA LYS 25 -0.993 7.719 9.399 162 HB2 LYS 25 2HB LYS 25 -0.667 8.909 7.235 163 HB3 LYS 25 3HB LYS 25 -2.281 8.408 6.714 164 HG2 LYS 25 2HG LYS 25 -3.327 9.728 8.501 165 HG3 LYS 25 3HG LYS 25 -1.745 10.130 9.183 166 HD2 LYS 25 2HD LYS 25 -1.127 11.311 7.068 167 HD3 LYS 25 3HD LYS 25 -2.699 10.898 6.372 168 HE2 LYS 25 2HE LYS 25 -3.841 12.159 8.213 169 HE3 LYS 25 3HE LYS 25 -2.265 12.580 8.897 170 HZ1 LYS 25 3HZ LYS 25 -3.214 13.349 6.211 171 HZ2 LYS 25 1HZ LYS 25 -3.125 14.332 7.512 172 HZ3 LYS 25 2HZ LYS 25 -1.759 13.738 6.843 173 H THR 26 H THR 26 -3.322 5.859 7.359 174 HA THR 26 HA THR 26 -5.487 6.701 9.111 175 HB THR 26 HB THR 26 -6.941 5.532 7.485 176 HG1 THR 26 HG1 THR 26 -6.114 4.272 5.889 177 HG21 THR 26 3HG2 THR 26 -4.849 7.324 6.154 178 HG22 THR 26 1HG2 THR 26 -6.487 6.963 5.512 179 HG23 THR 26 2HG2 THR 26 -6.306 7.877 7.047 180 H VAL 27 H VAL 27 -3.249 4.016 8.645 181 HA VAL 27 HA VAL 27 -4.864 2.498 10.575 182 HB VAL 27 HB VAL 27 -3.039 1.408 8.370 183 HG11 VAL 27 1HG1 VAL 27 -3.832 -0.812 9.122 184 HG12 VAL 27 2HG1 VAL 27 -2.936 0.052 10.416 185 HG13 VAL 27 3HG1 VAL 27 -4.729 -0.032 10.468 186 HG21 VAL 27 3HG2 VAL 27 -5.181 2.242 7.499 187 HG22 VAL 27 1HG2 VAL 27 -5.124 0.448 7.443 188 HG23 VAL 27 2HG2 VAL 27 -6.070 1.277 8.725 189 HA PRO 28 HA PRO 28 -0.931 3.408 12.650 190 HB2 PRO 28 2HB PRO 28 -1.995 3.389 15.216 191 HB3 PRO 28 3HB PRO 28 -2.260 4.778 14.154 192 HG2 PRO 28 2HG PRO 28 -4.107 2.447 14.744 193 HG3 PRO 28 3HG PRO 28 -4.486 4.172 14.660 194 HD2 PRO 28 2HD PRO 28 -5.002 2.475 12.573 195 HD3 PRO 28 3HD PRO 28 -4.590 4.175 12.311 196 H GLY 29 H GLY 29 0.646 2.162 13.589 197 HA2 GLY 29 2HA GLY 29 1.475 0.425 14.816 198 HA3 GLY 29 3HA GLY 29 -0.154 -0.235 15.010 199 H ALA 30 H ALA 30 -1.185 -1.063 12.772 200 HA ALA 30 HA ALA 30 0.141 -3.183 11.780 201 HB1 ALA 30 3HB ALA 30 -1.661 -1.244 10.245 202 HB2 ALA 30 1HB ALA 30 -1.278 -2.929 9.756 203 HB3 ALA 30 2HB ALA 30 -2.203 -2.620 11.264 204 H ALA 31 H ALA 31 1.685 -3.672 10.176 205 HA ALA 31 HA ALA 31 3.433 -1.373 9.711 206 HB1 ALA 31 3HB ALA 31 3.899 -4.393 9.566 207 HB2 ALA 31 1HB ALA 31 5.151 -3.127 9.332 208 HB3 ALA 31 2HB ALA 31 4.347 -3.311 10.927 209 H VAL 32 H VAL 32 3.477 -0.406 7.733 210 HA VAL 32 HA VAL 32 2.541 -1.999 5.466 211 HB VAL 32 HB VAL 32 2.998 1.016 5.751 212 HG11 VAL 32 1HG1 VAL 32 1.782 1.172 3.601 213 HG12 VAL 32 2HG1 VAL 32 3.306 0.235 3.441 214 HG13 VAL 32 3HG1 VAL 32 1.728 -0.621 3.507 215 HG21 VAL 32 3HG2 VAL 32 1.124 0.215 7.128 216 HG22 VAL 32 1HG2 VAL 32 0.526 1.160 5.723 217 HG23 VAL 32 2HG2 VAL 32 0.426 -0.633 5.707 218 H HIS 33 H HIS 33 4.020 -2.795 4.000 219 HA HIS 33 HA HIS 33 6.648 -1.456 3.927 220 HB2 HIS 33 2HB HIS 33 6.005 -4.422 3.541 221 HB3 HIS 33 3HB HIS 33 7.604 -3.682 3.394 222 HD2 HIS 33 HD2 HIS 33 5.322 -5.192 6.103 223 HE1 HIS 33 HE1 HIS 33 8.545 -3.236 8.130 224 H ALA 34 H ALA 34 6.487 -0.187 2.070 225 HA ALA 34 HA ALA 34 5.385 -1.451 -0.332 226 HB1 ALA 34 3HB ALA 34 6.315 1.401 0.265 227 HB2 ALA 34 1HB ALA 34 5.579 0.839 -1.273 228 HB3 ALA 34 2HB ALA 34 4.617 0.818 0.243 229 H ASP 35 H ASP 35 6.715 -2.476 -1.759 230 HA ASP 35 HA ASP 35 9.495 -1.491 -1.905 231 HB2 ASP 35 2HB ASP 35 9.340 -3.797 -1.044 232 HB3 ASP 35 3HB ASP 35 8.339 -4.272 -2.422 233 HA PRO 36 HA PRO 36 7.722 -0.360 -5.921 234 HB2 PRO 36 2HB PRO 36 9.578 1.638 -6.436 235 HB3 PRO 36 3HB PRO 36 8.217 1.921 -5.342 236 HG2 PRO 36 2HG PRO 36 11.087 1.185 -4.666 237 HG3 PRO 36 3HG PRO 36 10.054 2.414 -3.925 238 HD2 PRO 36 2HD PRO 36 10.401 -0.018 -2.747 239 HD3 PRO 36 3HD PRO 36 8.852 0.828 -2.640 240 H ALA 37 H ALA 37 11.041 -1.381 -5.132 241 HA ALA 37 HA ALA 37 11.826 -1.793 -7.819 242 HB1 ALA 37 3HB ALA 37 12.656 -3.173 -5.220 243 HB2 ALA 37 1HB ALA 37 13.521 -3.285 -6.789 244 HB3 ALA 37 2HB ALA 37 13.410 -1.709 -5.935 245 H SER 38 H SER 38 10.042 -3.846 -5.409 246 HA SER 38 HA SER 38 9.712 -5.883 -7.489 247 HB2 SER 38 2HB SER 38 8.871 -5.747 -4.557 248 HB3 SER 38 3HB SER 38 8.579 -7.121 -5.632 249 HG SER 38 HG SER 38 10.887 -6.344 -4.313 250 H ARG 39 H ARG 39 8.215 -2.962 -6.508 251 HA ARG 39 HA ARG 39 6.359 -1.995 -7.198 252 HB2 ARG 39 2HB ARG 39 6.042 -4.390 -9.027 253 HB3 ARG 39 3HB ARG 39 5.111 -2.889 -9.112 254 HG2 ARG 39 2HG ARG 39 7.492 -1.752 -9.303 255 HG3 ARG 39 3HG ARG 39 8.021 -3.374 -9.771 256 HD2 ARG 39 2HD ARG 39 5.823 -1.781 -11.105 257 HD3 ARG 39 3HD ARG 39 7.492 -1.913 -11.674 258 HE ARG 39 HE ARG 39 5.379 -3.887 -11.947 259 HH11 ARG 39 1HH1 ARG 39 8.852 -3.356 -12.013 260 HH12 ARG 39 2HH1 ARG 39 9.168 -4.786 -12.938 261 HH21 ARG 39 1HH2 ARG 39 5.797 -5.707 -13.143 262 HH22 ARG 39 2HH2 ARG 39 7.415 -6.136 -13.589 263 H THR 40 H THR 40 6.305 -3.731 -4.808 264 HA THR 40 HA THR 40 3.496 -4.552 -4.904 265 HB THR 40 HB THR 40 5.803 -6.206 -3.750 266 HG1 THR 40 HG1 THR 40 5.667 -6.339 -6.066 267 HG21 THR 40 3HG2 THR 40 2.800 -6.760 -3.919 268 HG22 THR 40 1HG2 THR 40 4.049 -7.906 -3.327 269 HG23 THR 40 2HG2 THR 40 3.726 -6.386 -2.426 270 H VAL 41 H VAL 41 2.336 -4.012 -3.035 271 HA VAL 41 HA VAL 41 3.958 -3.047 -0.783 272 HB VAL 41 HB VAL 41 1.071 -2.386 -1.565 273 HG11 VAL 41 1HG1 VAL 41 1.193 -0.720 0.264 274 HG12 VAL 41 2HG1 VAL 41 1.392 -2.397 0.874 275 HG13 VAL 41 3HG1 VAL 41 2.825 -1.328 0.703 276 HG21 VAL 41 3HG2 VAL 41 2.721 -1.349 -3.061 277 HG22 VAL 41 1HG2 VAL 41 1.957 -0.117 -2.002 278 HG23 VAL 41 2HG2 VAL 41 3.617 -0.702 -1.646 279 H VAL 42 H VAL 42 3.944 -4.314 1.049 280 HA VAL 42 HA VAL 42 1.656 -6.138 1.347 281 HB VAL 42 HB VAL 42 4.542 -6.414 2.330 282 HG11 VAL 42 1HG1 VAL 42 3.837 -8.651 3.125 283 HG12 VAL 42 2HG1 VAL 42 2.944 -7.333 3.957 284 HG13 VAL 42 3HG1 VAL 42 2.144 -8.278 2.657 285 HG21 VAL 42 3HG2 VAL 42 4.290 -6.830 -0.079 286 HG22 VAL 42 1HG2 VAL 42 4.612 -8.361 0.803 287 HG23 VAL 42 2HG2 VAL 42 2.947 -7.978 0.246 288 H VAL 43 H VAL 43 0.391 -5.901 3.181 289 HA VAL 43 HA VAL 43 1.499 -4.159 5.275 290 HB VAL 43 HB VAL 43 -1.415 -4.619 4.450 291 HG11 VAL 43 1HG1 VAL 43 -1.934 -2.844 6.094 292 HG12 VAL 43 2HG1 VAL 43 -1.190 -4.281 6.874 293 HG13 VAL 43 3HG1 VAL 43 -0.208 -2.804 6.589 294 HG21 VAL 43 3HG2 VAL 43 -0.175 -3.229 2.847 295 HG22 VAL 43 1HG2 VAL 43 -1.350 -2.238 3.777 296 HG23 VAL 43 2HG2 VAL 43 0.398 -2.176 4.184 297 H GLY 44 H GLY 44 1.986 -5.252 7.162 298 HA2 GLY 44 2HA GLY 44 0.527 -7.785 7.618 299 HA3 GLY 44 3HA GLY 44 2.183 -7.437 8.133 300 H GLY 45 H GLY 45 0.383 -8.389 10.055 301 HA2 GLY 45 2HA GLY 45 -0.122 -7.767 12.209 302 HA3 GLY 45 3HA GLY 45 0.044 -6.061 11.774 303 H VAL 46 H VAL 46 -1.874 -4.923 11.861 304 HA VAL 46 HA VAL 46 -4.366 -6.295 11.475 305 HB VAL 46 HB VAL 46 -3.642 -3.335 11.767 306 HG11 VAL 46 1HG1 VAL 46 -6.063 -2.969 12.129 307 HG12 VAL 46 2HG1 VAL 46 -5.720 -3.592 10.480 308 HG13 VAL 46 3HG1 VAL 46 -6.378 -4.693 11.737 309 HG21 VAL 46 3HG2 VAL 46 -3.211 -4.684 13.776 310 HG22 VAL 46 1HG2 VAL 46 -4.618 -3.597 14.027 311 HG23 VAL 46 2HG2 VAL 46 -4.879 -5.345 13.707 312 H SER 47 H SER 47 -5.789 -6.118 9.660 313 HA SER 47 HA SER 47 -4.741 -4.731 7.307 314 HB2 SER 47 2HB SER 47 -4.880 -6.735 5.942 315 HB3 SER 47 3HB SER 47 -3.755 -7.013 7.278 316 HG SER 47 HG SER 47 -5.205 -8.788 6.956 317 H ASP 48 H ASP 48 -6.378 -4.550 5.562 318 HA ASP 48 HA ASP 48 -9.033 -5.455 6.010 319 HB2 ASP 48 2HB ASP 48 -8.891 -3.623 7.724 320 HB3 ASP 48 3HB ASP 48 -8.480 -2.479 6.439 321 H ALA 49 H ALA 49 -9.399 -6.017 3.879 322 HA ALA 49 HA ALA 49 -7.821 -4.912 1.834 323 HB1 ALA 49 3HB ALA 49 -10.396 -6.559 1.728 324 HB2 ALA 49 1HB ALA 49 -9.273 -6.280 0.354 325 HB3 ALA 49 2HB ALA 49 -8.721 -7.204 1.792 326 H ALA 50 H ALA 50 -11.252 -4.281 2.857 327 HA ALA 50 HA ALA 50 -11.944 -2.774 0.598 328 HB1 ALA 50 3HB ALA 50 -12.942 -2.641 3.487 329 HB2 ALA 50 1HB ALA 50 -13.768 -1.929 2.060 330 HB3 ALA 50 2HB ALA 50 -13.576 -3.710 2.191 331 H HIS 51 H HIS 51 -10.605 -1.733 3.837 332 HA HIS 51 HA HIS 51 -10.769 1.017 3.209 333 HB2 HIS 51 2HB HIS 51 -10.680 0.220 5.516 334 HB3 HIS 51 3HB HIS 51 -9.124 -0.574 5.237 335 HD2 HIS 51 HD2 HIS 51 -6.927 1.018 5.738 336 HE1 HIS 51 HE1 HIS 51 -9.010 4.748 6.034 337 H ILE 52 H ILE 52 -7.967 -1.348 3.153 338 HA ILE 52 HA ILE 52 -6.107 0.657 2.553 339 HB ILE 52 HB ILE 52 -6.083 -2.382 2.235 340 HG12 ILE 52 2HG1 ILE 52 -4.616 -0.541 4.179 341 HG13 ILE 52 3HG1 ILE 52 -6.159 -1.326 4.537 342 HG21 ILE 52 1HG2 ILE 52 -3.642 -2.201 1.885 343 HG22 ILE 52 2HG2 ILE 52 -4.567 -1.416 0.560 344 HG23 ILE 52 3HG2 ILE 52 -3.787 -0.411 1.828 345 HD11 ILE 52 3HD1 ILE 52 -3.544 -2.755 3.874 346 HD12 ILE 52 1HD1 ILE 52 -4.283 -2.582 5.502 347 HD13 ILE 52 2HD1 ILE 52 -5.112 -3.552 4.238 348 H ALA 53 H ALA 53 -8.063 -1.576 0.468 349 HA ALA 53 HA ALA 53 -6.758 -0.973 -1.944 350 HB1 ALA 53 3HB ALA 53 -9.655 -1.764 -1.362 351 HB2 ALA 53 1HB ALA 53 -8.857 -1.820 -2.970 352 HB3 ALA 53 2HB ALA 53 -8.281 -2.886 -1.643 353 H GLU 54 H GLU 54 -9.506 0.653 -0.208 354 HA GLU 54 HA GLU 54 -10.017 2.537 -2.239 355 HB2 GLU 54 2HB GLU 54 -11.545 2.036 -0.352 356 HB3 GLU 54 3HB GLU 54 -10.365 2.687 0.794 357 HG2 GLU 54 2HG GLU 54 -10.579 4.937 -0.241 358 HG3 GLU 54 3HG GLU 54 -11.728 4.296 -1.423 359 H ILE 55 H ILE 55 -7.653 2.459 0.509 360 HA ILE 55 HA ILE 55 -6.890 5.146 0.265 361 HB ILE 55 HB ILE 55 -5.459 2.672 1.349 362 HG12 ILE 55 2HG1 ILE 55 -7.502 3.372 2.550 363 HG13 ILE 55 3HG1 ILE 55 -6.047 3.589 3.533 364 HG21 ILE 55 1HG2 ILE 55 -3.880 4.238 2.431 365 HG22 ILE 55 2HG2 ILE 55 -3.784 4.323 0.640 366 HG23 ILE 55 3HG2 ILE 55 -4.644 5.607 1.555 367 HD11 ILE 55 3HD1 ILE 55 -7.516 5.789 2.012 368 HD12 ILE 55 1HD1 ILE 55 -7.575 5.491 3.782 369 HD13 ILE 55 2HD1 ILE 55 -6.039 6.010 3.010 370 H ILE 56 H ILE 56 -5.526 2.073 -1.165 371 HA ILE 56 HA ILE 56 -3.365 3.369 -2.408 372 HB ILE 56 HB ILE 56 -4.804 0.729 -2.957 373 HG12 ILE 56 2HG1 ILE 56 -2.066 1.293 -1.733 374 HG13 ILE 56 3HG1 ILE 56 -3.539 1.089 -0.777 375 HG21 ILE 56 1HG2 ILE 56 -2.850 0.123 -4.348 376 HG22 ILE 56 2HG2 ILE 56 -3.750 1.518 -5.033 377 HG23 ILE 56 3HG2 ILE 56 -2.204 1.788 -4.160 378 HD11 ILE 56 3HD1 ILE 56 -2.333 -0.990 -2.657 379 HD12 ILE 56 1HD1 ILE 56 -2.246 -0.994 -0.863 380 HD13 ILE 56 2HD1 ILE 56 -3.829 -1.197 -1.686 381 H THR 57 H THR 57 -6.708 2.473 -3.563 382 HA THR 57 HA THR 57 -6.364 3.411 -6.168 383 HB THR 57 HB THR 57 -8.852 3.309 -4.384 384 HG1 THR 57 HG1 THR 57 -8.128 1.220 -4.717 385 HG21 THR 57 3HG2 THR 57 -8.599 3.608 -7.418 386 HG22 THR 57 1HG2 THR 57 -10.129 3.373 -6.508 387 HG23 THR 57 2HG2 THR 57 -9.164 4.869 -6.271 388 H ALA 58 H ALA 58 -7.273 5.102 -3.087 389 HA ALA 58 HA ALA 58 -7.906 7.571 -4.284 390 HB1 ALA 58 3HB ALA 58 -6.782 6.890 -1.522 391 HB2 ALA 58 1HB ALA 58 -7.520 8.457 -1.996 392 HB3 ALA 58 2HB ALA 58 -8.518 6.965 -1.976 393 H ALA 59 H ALA 59 -4.770 6.033 -3.405 394 HA ALA 59 HA ALA 59 -3.261 8.413 -3.887 395 HB1 ALA 59 3HB ALA 59 -2.499 5.450 -3.882 396 HB2 ALA 59 1HB ALA 59 -1.347 6.828 -3.897 397 HB3 ALA 59 2HB ALA 59 -2.422 6.571 -2.481 398 H GLY 60 H GLY 60 -5.016 6.273 -5.984 399 HA2 GLY 60 2HA GLY 60 -5.361 6.839 -8.187 400 HA3 GLY 60 3HA GLY 60 -3.861 7.776 -8.199 401 H TYR 61 H TYR 61 -3.528 4.595 -6.754 402 HA TYR 61 HA TYR 61 -2.479 3.579 -9.319 403 HB2 TYR 61 2HB TYR 61 -1.297 3.259 -6.516 404 HB3 TYR 61 3HB TYR 61 -0.694 2.468 -7.979 405 HD1 TYR 61 HD1 TYR 61 0.135 3.974 -9.907 406 HD2 TYR 61 HD2 TYR 61 -0.559 5.430 -5.930 407 HE1 TYR 61 HE1 TYR 61 1.580 5.927 -10.375 408 HE2 TYR 61 HE2 TYR 61 0.884 7.390 -6.392 409 HH TYR 61 HH TYR 61 2.634 8.090 -7.847 410 H THR 62 H THR 62 -4.826 2.688 -9.332 411 HA THR 62 HA THR 62 -5.729 0.864 -7.496 412 HB THR 62 HB THR 62 -6.058 0.806 -10.543 413 HG1 THR 62 HG1 THR 62 -8.024 2.006 -10.012 414 HG21 THR 62 3HG2 THR 62 -7.765 -0.391 -8.306 415 HG22 THR 62 1HG2 THR 62 -8.174 -0.386 -10.055 416 HG23 THR 62 2HG2 THR 62 -6.747 -1.306 -9.469 417 HA PRO 63 HA PRO 63 -2.728 -2.405 -8.107 418 HB2 PRO 63 2HB PRO 63 -3.621 -4.035 -6.073 419 HB3 PRO 63 3HB PRO 63 -2.784 -2.524 -5.692 420 HG2 PRO 63 2HG PRO 63 -5.770 -3.088 -5.749 421 HG3 PRO 63 3HG PRO 63 -4.827 -2.228 -4.524 422 HD2 PRO 63 2HD PRO 63 -6.247 -0.894 -6.450 423 HD3 PRO 63 3HD PRO 63 -4.743 -0.242 -5.786 424 H GLU 64 H GLU 64 -2.570 -4.561 -8.861 425 HA GLU 64 HA GLU 64 -5.149 -5.555 -9.895 426 HB2 GLU 64 2HB GLU 64 -2.384 -5.529 -11.195 427 HB3 GLU 64 3HB GLU 64 -3.757 -6.457 -11.811 428 HG2 GLU 64 2HG GLU 64 -5.050 -4.312 -12.073 429 HG3 GLU 64 3HG GLU 64 -3.625 -3.413 -11.535 Start of MODEL 18 1 H ALA 1 1H ALA 1 -3.048 -13.362 8.682 2 HA ALA 1 HA ALA 1 -1.055 -12.384 9.494 3 HB1 ALA 1 3HB ALA 1 -0.887 -13.528 6.664 4 HB2 ALA 1 1HB ALA 1 0.473 -13.416 7.832 5 HB3 ALA 1 2HB ALA 1 -0.936 -14.470 8.192 6 H GLY 2 H GLY 2 -1.659 -11.413 6.001 7 HA2 GLY 2 2HA GLY 2 -1.172 -8.708 6.434 8 HA3 GLY 2 3HA GLY 2 0.385 -9.455 6.049 9 H LEU 3 H LEU 3 -2.070 -7.755 4.629 10 HA LEU 3 HA LEU 3 -2.649 -9.510 2.407 11 HB2 LEU 3 2HB LEU 3 -3.375 -6.617 3.073 12 HB3 LEU 3 3HB LEU 3 -3.935 -7.468 1.628 13 HG LEU 3 HG LEU 3 -4.545 -8.291 4.517 14 HD11 LEU 3 1HD1 LEU 3 -6.841 -7.578 3.967 15 HD12 LEU 3 2HD1 LEU 3 -5.679 -6.215 3.837 16 HD13 LEU 3 3HD1 LEU 3 -6.284 -7.023 2.352 17 HD21 LEU 3 3HD2 LEU 3 -4.390 -10.211 2.971 18 HD22 LEU 3 1HD2 LEU 3 -6.092 -9.904 3.455 19 HD23 LEU 3 2HD2 LEU 3 -5.513 -9.393 1.834 20 H SER 4 H SER 4 -2.288 -8.862 0.113 21 HA SER 4 HA SER 4 0.220 -7.324 -0.148 22 HB2 SER 4 2HB SER 4 0.736 -9.717 -0.178 23 HB3 SER 4 3HB SER 4 -0.532 -10.014 -1.375 24 HG SER 4 HG SER 4 0.730 -9.309 -2.936 25 H PHE 5 H PHE 5 0.229 -5.816 -1.784 26 HA PHE 5 HA PHE 5 -1.939 -6.040 -3.775 27 HB2 PHE 5 2HB PHE 5 -0.870 -3.485 -2.481 28 HB3 PHE 5 3HB PHE 5 -2.139 -3.589 -3.709 29 HD1 PHE 5 HD1 PHE 5 -1.291 -4.294 -0.166 30 HD2 PHE 5 HD2 PHE 5 -4.396 -4.224 -3.134 31 HE1 PHE 5 HE1 PHE 5 -2.998 -4.506 1.612 32 HE2 PHE 5 HE2 PHE 5 -6.103 -4.433 -1.354 33 HZ PHE 5 HZ PHE 5 -5.405 -4.578 1.025 34 H HIS 6 H HIS 6 -1.392 -5.427 -5.932 35 HA HIS 6 HA HIS 6 1.515 -5.131 -6.322 36 HB2 HIS 6 2HB HIS 6 -0.396 -6.939 -7.886 37 HB3 HIS 6 3HB HIS 6 1.331 -6.727 -8.200 38 HD2 HIS 6 HD2 HIS 6 -1.024 -8.763 -5.865 39 HE1 HIS 6 HE1 HIS 6 3.012 -9.659 -4.759 40 H VAL 7 H VAL 7 2.020 -3.374 -7.575 41 HA VAL 7 HA VAL 7 -0.150 -2.349 -9.276 42 HB VAL 7 HB VAL 7 1.954 -0.823 -7.660 43 HG11 VAL 7 1HG1 VAL 7 0.870 1.220 -8.536 44 HG12 VAL 7 2HG1 VAL 7 1.599 0.235 -9.848 45 HG13 VAL 7 3HG1 VAL 7 -0.178 0.208 -9.587 46 HG21 VAL 7 3HG2 VAL 7 0.065 -1.648 -6.320 47 HG22 VAL 7 1HG2 VAL 7 -0.014 0.137 -6.505 48 HG23 VAL 7 2HG2 VAL 7 -1.094 -0.916 -7.481 49 H GLU 8 H GLU 8 0.358 -2.360 -11.448 50 HA GLU 8 HA GLU 8 2.814 -3.378 -12.304 51 HB2 GLU 8 2HB GLU 8 0.676 -3.546 -13.549 52 HB3 GLU 8 3HB GLU 8 0.676 -1.796 -13.809 53 HG2 GLU 8 2HG GLU 8 1.443 -2.862 -15.838 54 HG3 GLU 8 3HG GLU 8 2.817 -2.019 -15.111 55 H ASP 9 H ASP 9 1.697 0.005 -11.789 56 HA ASP 9 HA ASP 9 4.175 0.929 -13.093 57 HB2 ASP 9 2HB ASP 9 1.506 2.337 -12.601 58 HB3 ASP 9 3HB ASP 9 2.940 3.103 -13.296 59 H MET 10 H MET 10 4.310 -0.098 -10.400 60 HA MET 10 HA MET 10 4.017 2.113 -8.579 61 HB2 MET 10 2HB MET 10 3.679 -0.301 -7.977 62 HB3 MET 10 3HB MET 10 5.397 -0.595 -8.276 63 HG2 MET 10 2HG MET 10 6.055 0.817 -6.431 64 HG3 MET 10 3HG MET 10 4.416 1.453 -6.242 65 HE1 MET 10 3HE MET 10 4.794 0.737 -3.480 66 HE2 MET 10 1HE MET 10 5.404 -0.904 -3.080 67 HE3 MET 10 2HE MET 10 6.403 0.207 -4.076 68 H THR 11 H THR 11 5.444 3.814 -8.536 69 HA THR 11 HA THR 11 8.266 3.149 -8.969 70 HB THR 11 HB THR 11 8.619 5.563 -9.250 71 HG1 THR 11 HG1 THR 11 6.730 6.980 -9.224 72 HG21 THR 11 3HG2 THR 11 6.208 4.568 -10.848 73 HG22 THR 11 1HG2 THR 11 7.285 5.931 -11.306 74 HG23 THR 11 2HG2 THR 11 7.935 4.259 -11.231 75 H CYS 12 H CYS 12 9.725 4.812 -7.521 76 HA CYS 12 HA CYS 12 8.974 4.222 -4.704 77 HB2 CYS 12 2HB CYS 12 11.149 3.528 -5.895 78 HB3 CYS 12 3HB CYS 12 11.450 5.231 -6.266 79 HG CYS 12 HG CYS 12 13.137 4.475 -4.130 80 H GLY 13 H GLY 13 8.147 5.741 -3.389 81 HA2 GLY 13 2HA GLY 13 8.372 7.790 -2.320 82 HA3 GLY 13 3HA GLY 13 9.135 8.474 -3.761 83 H HIS 14 H HIS 14 7.692 8.838 -5.739 84 HA HIS 14 HA HIS 14 5.322 10.155 -4.837 85 HB2 HIS 14 2HB HIS 14 6.541 9.669 -7.599 86 HB3 HIS 14 3HB HIS 14 5.076 10.623 -7.329 87 HD2 HIS 14 HD2 HIS 14 8.839 11.154 -7.479 88 HE1 HIS 14 HE1 HIS 14 7.255 14.509 -5.343 89 H CYS 15 H CYS 15 5.867 6.872 -5.312 90 HA CYS 15 HA CYS 15 2.896 6.557 -5.465 91 HB2 CYS 15 2HB CYS 15 4.090 5.899 -7.609 92 HB3 CYS 15 3HB CYS 15 5.266 4.970 -6.670 93 HG CYS 15 HG CYS 15 1.940 4.177 -7.070 94 H ALA 16 H ALA 16 5.889 4.578 -4.776 95 HA ALA 16 HA ALA 16 4.643 3.021 -2.851 96 HB1 ALA 16 3HB ALA 16 7.570 3.870 -3.111 97 HB2 ALA 16 1HB ALA 16 6.961 2.492 -2.133 98 HB3 ALA 16 2HB ALA 16 6.792 2.468 -3.921 99 H GLY 17 H GLY 17 6.582 6.098 -2.416 100 HA2 GLY 17 2HA GLY 17 6.397 6.072 0.398 101 HA3 GLY 17 3HA GLY 17 6.769 7.455 -0.640 102 H VAL 18 H VAL 18 4.298 7.563 -2.187 103 HA VAL 18 HA VAL 18 2.678 8.983 -0.399 104 HB VAL 18 HB VAL 18 2.156 7.835 -3.186 105 HG11 VAL 18 1HG1 VAL 18 0.213 9.367 -3.280 106 HG12 VAL 18 2HG1 VAL 18 0.020 8.121 -2.001 107 HG13 VAL 18 3HG1 VAL 18 0.478 9.800 -1.558 108 HG21 VAL 18 3HG2 VAL 18 3.916 9.546 -3.070 109 HG22 VAL 18 1HG2 VAL 18 2.455 10.186 -3.896 110 HG23 VAL 18 2HG2 VAL 18 2.801 10.651 -2.196 111 H ILE 19 H ILE 19 2.383 5.631 -1.815 112 HA ILE 19 HA ILE 19 -0.139 5.136 -0.700 113 HB ILE 19 HB ILE 19 2.131 3.324 -1.642 114 HG12 ILE 19 2HG1 ILE 19 -0.628 3.855 -2.833 115 HG13 ILE 19 3HG1 ILE 19 0.813 4.782 -3.271 116 HG21 ILE 19 1HG2 ILE 19 0.518 1.451 -1.538 117 HG22 ILE 19 2HG2 ILE 19 0.864 2.127 0.090 118 HG23 ILE 19 3HG2 ILE 19 -0.677 2.530 -0.742 119 HD11 ILE 19 3HD1 ILE 19 0.459 1.770 -3.612 120 HD12 ILE 19 1HD1 ILE 19 0.370 3.009 -4.909 121 HD13 ILE 19 2HD1 ILE 19 1.922 2.710 -4.057 122 H LYS 20 H LYS 20 3.241 4.471 0.492 123 HA LYS 20 HA LYS 20 2.500 2.900 2.677 124 HB2 LYS 20 2HB LYS 20 4.796 3.095 1.773 125 HB3 LYS 20 3HB LYS 20 4.871 4.787 2.282 126 HG2 LYS 20 2HG LYS 20 4.666 4.088 4.663 127 HG3 LYS 20 3HG LYS 20 4.565 2.395 4.164 128 HD2 LYS 20 2HD LYS 20 6.827 2.535 3.141 129 HD3 LYS 20 3HD LYS 20 6.929 4.250 3.559 130 HE2 LYS 20 2HE LYS 20 6.711 3.657 5.990 131 HE3 LYS 20 3HE LYS 20 6.648 1.944 5.557 132 HZ1 LYS 20 3HZ LYS 20 8.911 3.755 5.004 133 HZ2 LYS 20 1HZ LYS 20 8.860 2.619 6.175 134 HZ3 LYS 20 2HZ LYS 20 8.853 2.174 4.604 135 H GLY 21 H GLY 21 3.112 6.512 2.487 136 HA2 GLY 21 2HA GLY 21 2.526 6.989 5.197 137 HA3 GLY 21 3HA GLY 21 2.483 8.160 3.872 138 H ALA 22 H ALA 22 0.407 6.780 2.255 139 HA ALA 22 HA ALA 22 -1.820 8.022 3.448 140 HB1 ALA 22 3HB ALA 22 -1.617 5.982 1.181 141 HB2 ALA 22 1HB ALA 22 -3.056 6.987 1.562 142 HB3 ALA 22 2HB ALA 22 -1.534 7.768 1.017 143 H ILE 23 H ILE 23 -0.860 4.513 3.154 144 HA ILE 23 HA ILE 23 -3.208 3.631 4.476 145 HB ILE 23 HB ILE 23 -0.499 2.301 3.967 146 HG12 ILE 23 2HG1 ILE 23 -3.193 1.839 2.613 147 HG13 ILE 23 3HG1 ILE 23 -1.989 2.979 1.999 148 HG21 ILE 23 1HG2 ILE 23 -1.645 0.175 4.492 149 HG22 ILE 23 2HG2 ILE 23 -1.601 1.278 5.909 150 HG23 ILE 23 3HG2 ILE 23 -3.117 1.089 4.965 151 HD11 ILE 23 3HD1 ILE 23 -1.568 -0.018 2.390 152 HD12 ILE 23 1HD1 ILE 23 -1.845 0.827 0.829 153 HD13 ILE 23 2HD1 ILE 23 -0.345 1.140 1.767 154 H GLU 24 H GLU 24 0.223 4.279 5.530 155 HA GLU 24 HA GLU 24 -0.036 3.161 8.079 156 HB2 GLU 24 2HB GLU 24 2.107 3.743 6.955 157 HB3 GLU 24 3HB GLU 24 1.718 5.463 7.092 158 HG2 GLU 24 2HG GLU 24 1.770 5.302 9.565 159 HG3 GLU 24 3HG GLU 24 2.091 3.566 9.462 160 H LYS 25 H LYS 25 -0.844 6.460 6.822 161 HA LYS 25 HA LYS 25 -1.090 7.682 9.338 162 HB2 LYS 25 2HB LYS 25 -0.879 8.880 7.172 163 HB3 LYS 25 3HB LYS 25 -2.464 8.274 6.672 164 HG2 LYS 25 2HG LYS 25 -3.561 9.531 8.490 165 HG3 LYS 25 3HG LYS 25 -1.992 10.067 9.105 166 HD2 LYS 25 2HD LYS 25 -1.540 11.247 6.951 167 HD3 LYS 25 3HD LYS 25 -3.095 10.695 6.315 168 HE2 LYS 25 2HE LYS 25 -4.275 11.902 8.170 169 HE3 LYS 25 3HE LYS 25 -2.717 12.465 8.789 170 HZ1 LYS 25 3HZ LYS 25 -3.815 13.092 6.123 171 HZ2 LYS 25 1HZ LYS 25 -3.762 14.109 7.399 172 HZ3 LYS 25 2HZ LYS 25 -2.376 13.611 6.694 173 H THR 26 H THR 26 -3.399 5.729 7.346 174 HA THR 26 HA THR 26 -5.551 6.505 9.137 175 HB THR 26 HB THR 26 -6.999 5.291 7.541 176 HG1 THR 26 HG1 THR 26 -6.166 3.967 6.031 177 HG21 THR 26 3HG2 THR 26 -4.975 7.127 6.165 178 HG22 THR 26 1HG2 THR 26 -6.614 6.719 5.552 179 HG23 THR 26 2HG2 THR 26 -6.431 7.649 7.078 180 H VAL 27 H VAL 27 -3.240 3.892 8.662 181 HA VAL 27 HA VAL 27 -4.837 2.270 10.520 182 HB VAL 27 HB VAL 27 -2.909 1.308 8.344 183 HG11 VAL 27 1HG1 VAL 27 -3.670 -0.956 8.992 184 HG12 VAL 27 2HG1 VAL 27 -2.848 -0.112 10.348 185 HG13 VAL 27 3HG1 VAL 27 -4.639 -0.243 10.325 186 HG21 VAL 27 3HG2 VAL 27 -5.039 2.115 7.416 187 HG22 VAL 27 1HG2 VAL 27 -4.931 0.326 7.305 188 HG23 VAL 27 2HG2 VAL 27 -5.947 1.087 8.575 189 HA PRO 28 HA PRO 28 -0.971 3.280 12.707 190 HB2 PRO 28 2HB PRO 28 -2.073 3.244 15.238 191 HB3 PRO 28 3HB PRO 28 -2.331 4.631 14.172 192 HG2 PRO 28 2HG PRO 28 -4.170 2.273 14.714 193 HG3 PRO 28 3HG PRO 28 -4.565 3.996 14.653 194 HD2 PRO 28 2HD PRO 28 -5.032 2.350 12.521 195 HD3 PRO 28 3HD PRO 28 -4.593 4.048 12.294 196 H GLY 29 H GLY 29 0.610 2.060 13.635 197 HA2 GLY 29 2HA GLY 29 1.455 0.320 14.850 198 HA3 GLY 29 3HA GLY 29 -0.163 -0.376 15.007 199 H ALA 30 H ALA 30 -1.139 -1.199 12.747 200 HA ALA 30 HA ALA 30 0.256 -3.266 11.732 201 HB1 ALA 30 3HB ALA 30 -1.581 -1.349 10.213 202 HB2 ALA 30 1HB ALA 30 -1.146 -3.013 9.697 203 HB3 ALA 30 2HB ALA 30 -2.096 -2.758 11.200 204 H ALA 31 H ALA 31 1.808 -3.689 10.113 205 HA ALA 31 HA ALA 31 3.495 -1.337 9.667 206 HB1 ALA 31 3HB ALA 31 4.043 -4.341 9.493 207 HB2 ALA 31 1HB ALA 31 5.258 -3.039 9.259 208 HB3 ALA 31 2HB ALA 31 4.472 -3.259 10.859 209 H VAL 32 H VAL 32 3.529 -0.363 7.691 210 HA VAL 32 HA VAL 32 2.559 -1.941 5.430 211 HB VAL 32 HB VAL 32 3.034 1.070 5.724 212 HG11 VAL 32 1HG1 VAL 32 1.782 1.246 3.597 213 HG12 VAL 32 2HG1 VAL 32 3.299 0.304 3.405 214 HG13 VAL 32 3HG1 VAL 32 1.720 -0.546 3.491 215 HG21 VAL 32 3HG2 VAL 32 1.181 0.271 7.128 216 HG22 VAL 32 1HG2 VAL 32 0.563 1.226 5.739 217 HG23 VAL 32 2HG2 VAL 32 0.454 -0.567 5.716 218 H HIS 33 H HIS 33 4.013 -2.736 3.938 219 HA HIS 33 HA HIS 33 6.651 -1.418 3.840 220 HB2 HIS 33 2HB HIS 33 5.978 -4.377 3.462 221 HB3 HIS 33 3HB HIS 33 7.581 -3.651 3.286 222 HD2 HIS 33 HD2 HIS 33 5.277 -5.056 6.062 223 HE1 HIS 33 HE1 HIS 33 8.656 -3.267 7.986 224 H ALA 34 H ALA 34 6.517 -0.157 1.979 225 HA ALA 34 HA ALA 34 5.366 -1.399 -0.412 226 HB1 ALA 34 3HB ALA 34 6.383 1.426 0.169 227 HB2 ALA 34 1HB ALA 34 5.621 0.881 -1.363 228 HB3 ALA 34 2HB ALA 34 4.668 0.893 0.160 229 H ASP 35 H ASP 35 6.668 -2.497 -1.811 230 HA ASP 35 HA ASP 35 9.467 -1.576 -1.998 231 HB2 ASP 35 2HB ASP 35 9.288 -3.849 -1.074 232 HB3 ASP 35 3HB ASP 35 8.245 -4.346 -2.413 233 HA PRO 36 HA PRO 36 7.696 -0.542 -6.031 234 HB2 PRO 36 2HB PRO 36 9.521 1.459 -6.604 235 HB3 PRO 36 3HB PRO 36 8.193 1.751 -5.474 236 HG2 PRO 36 2HG PRO 36 11.083 1.030 -4.876 237 HG3 PRO 36 3HG PRO 36 10.071 2.268 -4.122 238 HD2 PRO 36 2HD PRO 36 10.461 -0.156 -2.933 239 HD3 PRO 36 3HD PRO 36 8.926 0.706 -2.769 240 H ALA 37 H ALA 37 10.985 -1.605 -5.239 241 HA ALA 37 HA ALA 37 11.750 -2.067 -7.928 242 HB1 ALA 37 3HB ALA 37 12.572 -3.419 -5.313 243 HB2 ALA 37 1HB ALA 37 13.420 -3.578 -6.888 244 HB3 ALA 37 2HB ALA 37 13.351 -1.985 -6.062 245 H SER 38 H SER 38 9.953 -4.048 -5.463 246 HA SER 38 HA SER 38 9.518 -6.087 -7.519 247 HB2 SER 38 2HB SER 38 8.712 -5.887 -4.581 248 HB3 SER 38 3HB SER 38 8.360 -7.261 -5.638 249 HG SER 38 HG SER 38 10.732 -6.517 -4.381 250 H ARG 39 H ARG 39 8.161 -3.094 -6.604 251 HA ARG 39 HA ARG 39 6.273 -2.087 -7.130 252 HB2 ARG 39 2HB ARG 39 5.943 -4.380 -9.080 253 HB3 ARG 39 3HB ARG 39 4.954 -2.914 -9.051 254 HG2 ARG 39 2HG ARG 39 7.060 -1.562 -9.402 255 HG3 ARG 39 3HG ARG 39 7.953 -3.078 -9.577 256 HD2 ARG 39 2HD ARG 39 6.361 -3.670 -11.447 257 HD3 ARG 39 3HD ARG 39 5.741 -2.018 -11.338 258 HE ARG 39 HE ARG 39 8.560 -1.907 -11.621 259 HH11 ARG 39 1HH1 ARG 39 5.733 -2.837 -13.493 260 HH12 ARG 39 2HH1 ARG 39 6.458 -2.418 -15.009 261 HH21 ARG 39 1HH2 ARG 39 9.479 -1.387 -13.573 262 HH22 ARG 39 2HH2 ARG 39 8.608 -1.586 -15.057 263 H THR 40 H THR 40 6.224 -3.839 -4.803 264 HA THR 40 HA THR 40 3.397 -4.600 -4.870 265 HB THR 40 HB THR 40 5.695 -6.279 -3.734 266 HG1 THR 40 HG1 THR 40 3.769 -7.135 -5.696 267 HG21 THR 40 3HG2 THR 40 2.673 -6.756 -3.740 268 HG22 THR 40 1HG2 THR 40 3.920 -7.917 -3.174 269 HG23 THR 40 2HG2 THR 40 3.681 -6.363 -2.307 270 H VAL 41 H VAL 41 2.256 -3.978 -3.017 271 HA VAL 41 HA VAL 41 3.906 -3.028 -0.778 272 HB VAL 41 HB VAL 41 1.029 -2.329 -1.555 273 HG11 VAL 41 1HG1 VAL 41 1.181 -0.649 0.258 274 HG12 VAL 41 2HG1 VAL 41 1.352 -2.324 0.882 275 HG13 VAL 41 3HG1 VAL 41 2.802 -1.281 0.701 276 HG21 VAL 41 3HG2 VAL 41 2.692 -1.330 -3.063 277 HG22 VAL 41 1HG2 VAL 41 1.950 -0.077 -2.010 278 HG23 VAL 41 2HG2 VAL 41 3.602 -0.687 -1.654 279 H VAL 42 H VAL 42 3.880 -4.278 1.066 280 HA VAL 42 HA VAL 42 1.562 -6.056 1.396 281 HB VAL 42 HB VAL 42 4.437 -6.343 2.410 282 HG11 VAL 42 1HG1 VAL 42 3.703 -8.554 3.247 283 HG12 VAL 42 2HG1 VAL 42 2.817 -7.210 4.043 284 HG13 VAL 42 3HG1 VAL 42 2.017 -8.174 2.756 285 HG21 VAL 42 3HG2 VAL 42 4.201 -6.810 0.008 286 HG22 VAL 42 1HG2 VAL 42 4.498 -8.324 0.927 287 HG23 VAL 42 2HG2 VAL 42 2.843 -7.936 0.348 288 H VAL 43 H VAL 43 0.280 -5.747 3.205 289 HA VAL 43 HA VAL 43 1.408 -4.014 5.294 290 HB VAL 43 HB VAL 43 -1.509 -4.453 4.474 291 HG11 VAL 43 1HG1 VAL 43 -2.008 -2.663 6.112 292 HG12 VAL 43 2HG1 VAL 43 -1.276 -4.102 6.898 293 HG13 VAL 43 3HG1 VAL 43 -0.281 -2.636 6.602 294 HG21 VAL 43 3HG2 VAL 43 -0.257 -3.081 2.865 295 HG22 VAL 43 1HG2 VAL 43 -1.422 -2.076 3.791 296 HG23 VAL 43 2HG2 VAL 43 0.326 -2.028 4.197 297 H GLY 44 H GLY 44 1.957 -5.170 7.131 298 HA2 GLY 44 2HA GLY 44 0.557 -7.742 7.514 299 HA3 GLY 44 3HA GLY 44 2.202 -7.355 8.035 300 H GLY 45 H GLY 45 0.322 -8.461 9.869 301 HA2 GLY 45 2HA GLY 45 -0.169 -7.984 12.062 302 HA3 GLY 45 3HA GLY 45 0.051 -6.257 11.754 303 H VAL 46 H VAL 46 -1.810 -5.002 11.686 304 HA VAL 46 HA VAL 46 -4.346 -6.311 11.273 305 HB VAL 46 HB VAL 46 -3.552 -3.376 11.627 306 HG11 VAL 46 1HG1 VAL 46 -5.971 -2.956 11.955 307 HG12 VAL 46 2HG1 VAL 46 -5.615 -3.564 10.302 308 HG13 VAL 46 3HG1 VAL 46 -6.320 -4.666 11.533 309 HG21 VAL 46 3HG2 VAL 46 -3.187 -4.759 13.623 310 HG22 VAL 46 1HG2 VAL 46 -4.573 -3.642 13.864 311 HG23 VAL 46 2HG2 VAL 46 -4.869 -5.379 13.517 312 H SER 47 H SER 47 -5.678 -6.139 9.409 313 HA SER 47 HA SER 47 -4.638 -4.636 7.137 314 HB2 SER 47 2HB SER 47 -4.569 -6.582 5.698 315 HB3 SER 47 3HB SER 47 -3.488 -6.846 7.072 316 HG SER 47 HG SER 47 -4.709 -8.714 6.745 317 H ASP 48 H ASP 48 -6.230 -4.523 5.338 318 HA ASP 48 HA ASP 48 -8.840 -5.587 5.712 319 HB2 ASP 48 2HB ASP 48 -8.830 -3.775 7.451 320 HB3 ASP 48 3HB ASP 48 -8.449 -2.592 6.192 321 H ALA 49 H ALA 49 -9.154 -6.125 3.566 322 HA ALA 49 HA ALA 49 -7.579 -4.930 1.568 323 HB1 ALA 49 3HB ALA 49 -10.077 -6.682 1.386 324 HB2 ALA 49 1HB ALA 49 -8.938 -6.337 0.041 325 HB3 ALA 49 2HB ALA 49 -8.378 -7.256 1.480 326 H ALA 50 H ALA 50 -11.063 -4.471 2.508 327 HA ALA 50 HA ALA 50 -11.764 -2.942 0.269 328 HB1 ALA 50 3HB ALA 50 -12.825 -2.903 3.137 329 HB2 ALA 50 1HB ALA 50 -13.647 -2.196 1.706 330 HB3 ALA 50 2HB ALA 50 -13.390 -3.971 1.808 331 H HIS 51 H HIS 51 -10.542 -1.913 3.560 332 HA HIS 51 HA HIS 51 -10.795 0.841 2.979 333 HB2 HIS 51 2HB HIS 51 -10.733 -0.000 5.270 334 HB3 HIS 51 3HB HIS 51 -9.139 -0.723 5.016 335 HD2 HIS 51 HD2 HIS 51 -7.022 0.946 5.598 336 HE1 HIS 51 HE1 HIS 51 -9.264 4.580 5.920 337 H ILE 52 H ILE 52 -7.908 -1.419 2.946 338 HA ILE 52 HA ILE 52 -6.102 0.657 2.433 339 HB ILE 52 HB ILE 52 -5.975 -2.370 2.032 340 HG12 ILE 52 2HG1 ILE 52 -4.601 -0.544 4.058 341 HG13 ILE 52 3HG1 ILE 52 -6.133 -1.372 4.362 342 HG21 ILE 52 1HG2 ILE 52 -3.534 -2.100 1.742 343 HG22 ILE 52 2HG2 ILE 52 -4.455 -1.307 0.420 344 HG23 ILE 52 3HG2 ILE 52 -3.735 -0.316 1.734 345 HD11 ILE 52 3HD1 ILE 52 -3.474 -2.724 3.720 346 HD12 ILE 52 1HD1 ILE 52 -4.251 -2.609 5.335 347 HD13 ILE 52 2HD1 ILE 52 -5.030 -3.565 4.029 348 H ALA 53 H ALA 53 -7.953 -1.568 0.249 349 HA ALA 53 HA ALA 53 -6.581 -0.925 -2.108 350 HB1 ALA 53 3HB ALA 53 -9.490 -1.744 -1.636 351 HB2 ALA 53 1HB ALA 53 -8.635 -1.778 -3.215 352 HB3 ALA 53 2HB ALA 53 -8.097 -2.852 -1.879 353 H GLU 54 H GLU 54 -9.398 0.668 -0.455 354 HA GLU 54 HA GLU 54 -9.833 2.549 -2.520 355 HB2 GLU 54 2HB GLU 54 -10.458 2.482 0.465 356 HB3 GLU 54 3HB GLU 54 -10.928 3.834 -0.574 357 HG2 GLU 54 2HG GLU 54 -12.327 2.361 -1.950 358 HG3 GLU 54 3HG GLU 54 -11.762 0.935 -1.071 359 H ILE 55 H ILE 55 -7.635 2.463 0.352 360 HA ILE 55 HA ILE 55 -6.897 5.168 0.204 361 HB ILE 55 HB ILE 55 -5.492 2.682 1.295 362 HG12 ILE 55 2HG1 ILE 55 -7.580 3.348 2.428 363 HG13 ILE 55 3HG1 ILE 55 -6.166 3.557 3.470 364 HG21 ILE 55 1HG2 ILE 55 -3.963 4.234 2.465 365 HG22 ILE 55 2HG2 ILE 55 -3.797 4.351 0.680 366 HG23 ILE 55 3HG2 ILE 55 -4.697 5.616 1.584 367 HD11 ILE 55 3HD1 ILE 55 -7.591 5.775 1.933 368 HD12 ILE 55 1HD1 ILE 55 -7.716 5.445 3.694 369 HD13 ILE 55 2HD1 ILE 55 -6.155 5.987 2.991 370 H ILE 56 H ILE 56 -5.441 2.145 -1.242 371 HA ILE 56 HA ILE 56 -3.259 3.498 -2.382 372 HB ILE 56 HB ILE 56 -4.644 0.855 -3.057 373 HG12 ILE 56 2HG1 ILE 56 -1.972 1.413 -1.693 374 HG13 ILE 56 3HG1 ILE 56 -3.486 1.165 -0.812 375 HG21 ILE 56 1HG2 ILE 56 -2.625 0.307 -4.374 376 HG22 ILE 56 2HG2 ILE 56 -3.509 1.712 -5.059 377 HG23 ILE 56 3HG2 ILE 56 -2.006 1.973 -4.111 378 HD11 ILE 56 3HD1 ILE 56 -2.168 -0.844 -2.694 379 HD12 ILE 56 1HD1 ILE 56 -2.164 -0.900 -0.899 380 HD13 ILE 56 2HD1 ILE 56 -3.705 -1.097 -1.800 381 H THR 57 H THR 57 -6.565 2.619 -3.645 382 HA THR 57 HA THR 57 -6.157 3.615 -6.221 383 HB THR 57 HB THR 57 -8.658 3.383 -4.474 384 HG1 THR 57 HG1 THR 57 -7.931 1.345 -5.035 385 HG21 THR 57 3HG2 THR 57 -8.431 4.008 -7.459 386 HG22 THR 57 1HG2 THR 57 -9.952 3.664 -6.568 387 HG23 THR 57 2HG2 THR 57 -8.997 5.134 -6.180 388 H ALA 58 H ALA 58 -7.126 5.229 -3.118 389 HA ALA 58 HA ALA 58 -7.727 7.734 -4.254 390 HB1 ALA 58 3HB ALA 58 -6.636 6.972 -1.502 391 HB2 ALA 58 1HB ALA 58 -7.357 8.557 -1.942 392 HB3 ALA 58 2HB ALA 58 -8.366 7.072 -1.971 393 H ALA 59 H ALA 59 -4.609 6.157 -3.369 394 HA ALA 59 HA ALA 59 -3.086 8.538 -3.841 395 HB1 ALA 59 3HB ALA 59 -2.328 5.574 -3.802 396 HB2 ALA 59 1HB ALA 59 -1.175 6.950 -3.820 397 HB3 ALA 59 2HB ALA 59 -2.262 6.708 -2.411 398 H GLY 60 H GLY 60 -4.800 6.336 -5.930 399 HA2 GLY 60 2HA GLY 60 -5.158 6.947 -8.130 400 HA3 GLY 60 3HA GLY 60 -3.638 7.850 -8.144 401 H TYR 61 H TYR 61 -3.328 4.682 -6.693 402 HA TYR 61 HA TYR 61 -2.353 3.624 -9.269 403 HB2 TYR 61 2HB TYR 61 -1.078 3.321 -6.505 404 HB3 TYR 61 3HB TYR 61 -0.517 2.546 -7.993 405 HD1 TYR 61 HD1 TYR 61 0.147 4.131 -9.966 406 HD2 TYR 61 HD2 TYR 61 -0.251 5.438 -5.898 407 HE1 TYR 61 HE1 TYR 61 1.559 6.102 -10.464 408 HE2 TYR 61 HE2 TYR 61 1.158 7.413 -6.389 409 HH TYR 61 HH TYR 61 2.593 8.332 -7.878 410 H THR 62 H THR 62 -4.783 2.820 -9.056 411 HA THR 62 HA THR 62 -5.534 1.017 -7.127 412 HB THR 62 HB THR 62 -6.226 1.064 -10.112 413 HG1 THR 62 HG1 THR 62 -7.643 2.124 -7.800 414 HG21 THR 62 3HG2 THR 62 -7.667 -0.243 -7.753 415 HG22 THR 62 1HG2 THR 62 -8.281 -0.145 -9.438 416 HG23 THR 62 2HG2 THR 62 -6.803 -1.099 -9.075 417 HA PRO 63 HA PRO 63 -2.759 -2.346 -8.059 418 HB2 PRO 63 2HB PRO 63 -3.595 -4.029 -6.038 419 HB3 PRO 63 3HB PRO 63 -2.675 -2.568 -5.655 420 HG2 PRO 63 2HG PRO 63 -5.679 -3.012 -5.549 421 HG3 PRO 63 3HG PRO 63 -4.630 -2.238 -4.354 422 HD2 PRO 63 2HD PRO 63 -6.103 -0.767 -6.127 423 HD3 PRO 63 3HD PRO 63 -4.525 -0.211 -5.555 424 H GLU 64 H GLU 64 -2.712 -4.512 -8.848 425 HA GLU 64 HA GLU 64 -5.365 -5.386 -9.798 426 HB2 GLU 64 2HB GLU 64 -2.702 -5.309 -11.293 427 HB3 GLU 64 3HB GLU 64 -4.137 -6.173 -11.863 428 HG2 GLU 64 2HG GLU 64 -5.399 -4.000 -11.901 429 HG3 GLU 64 3HG GLU 64 -3.928 -3.157 -11.397 Start of MODEL 19 1 H ALA 1 1H ALA 1 -3.041 -13.283 8.925 2 HA ALA 1 HA ALA 1 -0.913 -12.436 9.515 3 HB1 ALA 1 3HB ALA 1 -1.160 -13.455 6.643 4 HB2 ALA 1 1HB ALA 1 0.339 -13.459 7.632 5 HB3 ALA 1 2HB ALA 1 -1.066 -14.462 8.127 6 H GLY 2 H GLY 2 -1.649 -11.415 6.062 7 HA2 GLY 2 2HA GLY 2 -1.188 -8.705 6.487 8 HA3 GLY 2 3HA GLY 2 0.376 -9.438 6.108 9 H LEU 3 H LEU 3 -2.238 -7.865 4.709 10 HA LEU 3 HA LEU 3 -2.693 -9.641 2.486 11 HB2 LEU 3 2HB LEU 3 -3.595 -6.793 3.134 12 HB3 LEU 3 3HB LEU 3 -4.121 -7.700 1.710 13 HG LEU 3 HG LEU 3 -4.629 -8.521 4.618 14 HD11 LEU 3 1HD1 LEU 3 -6.976 -7.951 4.105 15 HD12 LEU 3 2HD1 LEU 3 -5.900 -6.522 3.942 16 HD13 LEU 3 3HD1 LEU 3 -6.483 -7.379 2.475 17 HD21 LEU 3 3HD2 LEU 3 -4.392 -10.445 3.091 18 HD22 LEU 3 1HD2 LEU 3 -6.100 -10.231 3.605 19 HD23 LEU 3 2HD2 LEU 3 -5.583 -9.707 1.967 20 H SER 4 H SER 4 -2.417 -8.934 0.179 21 HA SER 4 HA SER 4 0.043 -7.326 -0.089 22 HB2 SER 4 2HB SER 4 0.640 -9.703 -0.081 23 HB3 SER 4 3HB SER 4 -0.604 -10.056 -1.288 24 HG SER 4 HG SER 4 1.502 -9.843 -2.223 25 H PHE 5 H PHE 5 0.035 -5.873 -1.781 26 HA PHE 5 HA PHE 5 -2.028 -6.275 -3.847 27 HB2 PHE 5 2HB PHE 5 -1.251 -3.693 -2.408 28 HB3 PHE 5 3HB PHE 5 -2.207 -3.745 -3.895 29 HD1 PHE 5 HD1 PHE 5 -2.181 -4.519 -0.279 30 HD2 PHE 5 HD2 PHE 5 -4.519 -4.501 -3.884 31 HE1 PHE 5 HE1 PHE 5 -4.245 -4.820 1.055 32 HE2 PHE 5 HE2 PHE 5 -6.580 -4.799 -2.547 33 HZ PHE 5 HZ PHE 5 -6.446 -4.959 -0.075 34 H HIS 6 H HIS 6 -1.421 -5.645 -5.986 35 HA HIS 6 HA HIS 6 1.471 -5.116 -6.244 36 HB2 HIS 6 2HB HIS 6 -0.316 -6.835 -8.035 37 HB3 HIS 6 3HB HIS 6 1.407 -6.518 -8.280 38 HD2 HIS 6 HD2 HIS 6 -0.902 -8.892 -6.245 39 HE1 HIS 6 HE1 HIS 6 3.140 -9.688 -5.079 40 H VAL 7 H VAL 7 2.015 -3.328 -7.452 41 HA VAL 7 HA VAL 7 -0.095 -2.266 -9.202 42 HB VAL 7 HB VAL 7 1.871 -0.720 -7.436 43 HG11 VAL 7 1HG1 VAL 7 0.739 1.303 -8.302 44 HG12 VAL 7 2HG1 VAL 7 1.559 0.384 -9.610 45 HG13 VAL 7 3HG1 VAL 7 -0.224 0.280 -9.420 46 HG21 VAL 7 3HG2 VAL 7 -0.032 -1.655 -6.195 47 HG22 VAL 7 1HG2 VAL 7 -0.176 0.129 -6.336 48 HG23 VAL 7 2HG2 VAL 7 -1.174 -0.937 -7.381 49 H GLU 8 H GLU 8 0.593 -2.463 -11.320 50 HA GLU 8 HA GLU 8 3.240 -3.217 -11.899 51 HB2 GLU 8 2HB GLU 8 0.916 -2.244 -13.621 52 HB3 GLU 8 3HB GLU 8 2.456 -2.795 -14.297 53 HG2 GLU 8 2HG GLU 8 0.486 -4.445 -12.645 54 HG3 GLU 8 3HG GLU 8 0.825 -4.608 -14.373 55 H ASP 9 H ASP 9 1.655 -0.033 -11.653 56 HA ASP 9 HA ASP 9 3.892 1.193 -13.103 57 HB2 ASP 9 2HB ASP 9 1.199 2.284 -12.156 58 HB3 ASP 9 3HB ASP 9 2.435 3.237 -12.987 59 H MET 10 H MET 10 4.070 0.016 -10.274 60 HA MET 10 HA MET 10 3.967 2.256 -8.493 61 HB2 MET 10 2HB MET 10 3.550 -0.136 -7.855 62 HB3 MET 10 3HB MET 10 5.245 -0.504 -8.200 63 HG2 MET 10 2HG MET 10 6.017 0.884 -6.386 64 HG3 MET 10 3HG MET 10 4.419 1.607 -6.163 65 HE1 MET 10 3HE MET 10 4.721 0.918 -3.399 66 HE2 MET 10 1HE MET 10 5.316 -0.723 -2.978 67 HE3 MET 10 2HE MET 10 6.325 0.366 -3.989 68 H THR 11 H THR 11 5.442 3.918 -8.611 69 HA THR 11 HA THR 11 8.233 3.142 -9.048 70 HB THR 11 HB THR 11 8.660 5.533 -9.410 71 HG1 THR 11 HG1 THR 11 6.305 6.684 -9.584 72 HG21 THR 11 3HG2 THR 11 6.180 4.579 -10.923 73 HG22 THR 11 1HG2 THR 11 7.291 5.889 -11.444 74 HG23 THR 11 2HG2 THR 11 7.885 4.198 -11.336 75 H CYS 12 H CYS 12 9.784 4.773 -7.675 76 HA CYS 12 HA CYS 12 8.989 4.409 -4.820 77 HB2 CYS 12 2HB CYS 12 11.051 3.350 -5.947 78 HB3 CYS 12 3HB CYS 12 11.577 4.969 -6.425 79 HG CYS 12 HG CYS 12 13.147 4.140 -4.228 80 H GLY 13 H GLY 13 8.317 6.116 -3.663 81 HA2 GLY 13 2HA GLY 13 8.727 8.214 -2.760 82 HA3 GLY 13 3HA GLY 13 9.629 8.678 -4.209 83 H HIS 14 H HIS 14 7.712 7.935 -6.255 84 HA HIS 14 HA HIS 14 5.825 10.115 -5.837 85 HB2 HIS 14 2HB HIS 14 6.566 8.427 -8.278 86 HB3 HIS 14 3HB HIS 14 5.357 9.718 -8.289 87 HD2 HIS 14 HD2 HIS 14 9.079 9.308 -8.911 88 HE1 HIS 14 HE1 HIS 14 8.485 13.457 -8.037 89 H CYS 15 H CYS 15 5.923 6.666 -5.486 90 HA CYS 15 HA CYS 15 2.936 6.546 -5.460 91 HB2 CYS 15 2HB CYS 15 4.018 5.716 -7.634 92 HB3 CYS 15 3HB CYS 15 5.094 4.687 -6.678 93 HG CYS 15 HG CYS 15 1.705 4.281 -7.087 94 H ALA 16 H ALA 16 5.902 4.512 -4.792 95 HA ALA 16 HA ALA 16 4.727 3.086 -2.725 96 HB1 ALA 16 3HB ALA 16 7.640 3.922 -3.136 97 HB2 ALA 16 1HB ALA 16 7.070 2.611 -2.051 98 HB3 ALA 16 2HB ALA 16 6.843 2.469 -3.826 99 H GLY 17 H GLY 17 6.633 6.206 -2.570 100 HA2 GLY 17 2HA GLY 17 6.562 6.431 0.222 101 HA3 GLY 17 3HA GLY 17 6.760 7.743 -0.947 102 H VAL 18 H VAL 18 4.173 7.434 -2.333 103 HA VAL 18 HA VAL 18 2.626 8.966 -0.527 104 HB VAL 18 HB VAL 18 2.005 7.716 -3.247 105 HG11 VAL 18 1HG1 VAL 18 0.047 9.231 -3.308 106 HG12 VAL 18 2HG1 VAL 18 -0.076 8.031 -1.978 107 HG13 VAL 18 3HG1 VAL 18 0.386 9.728 -1.616 108 HG21 VAL 18 3HG2 VAL 18 3.753 9.442 -3.279 109 HG22 VAL 18 1HG2 VAL 18 2.249 10.042 -4.057 110 HG23 VAL 18 2HG2 VAL 18 2.672 10.571 -2.393 111 H ILE 19 H ILE 19 2.365 5.566 -1.830 112 HA ILE 19 HA ILE 19 -0.142 5.088 -0.662 113 HB ILE 19 HB ILE 19 2.105 3.257 -1.630 114 HG12 ILE 19 2HG1 ILE 19 -0.667 3.806 -2.783 115 HG13 ILE 19 3HG1 ILE 19 0.780 4.707 -3.255 116 HG21 ILE 19 1HG2 ILE 19 0.481 1.397 -1.482 117 HG22 ILE 19 2HG2 ILE 19 0.856 2.087 0.134 118 HG23 ILE 19 3HG2 ILE 19 -0.694 2.492 -0.678 119 HD11 ILE 19 3HD1 ILE 19 0.378 1.696 -3.552 120 HD12 ILE 19 1HD1 ILE 19 0.286 2.920 -4.863 121 HD13 ILE 19 2HD1 ILE 19 1.848 2.610 -4.031 122 H LYS 20 H LYS 20 3.264 4.461 0.468 123 HA LYS 20 HA LYS 20 2.573 2.832 2.629 124 HB2 LYS 20 2HB LYS 20 4.851 3.078 1.665 125 HB3 LYS 20 3HB LYS 20 4.930 4.743 2.256 126 HG2 LYS 20 2HG LYS 20 4.806 3.946 4.598 127 HG3 LYS 20 3HG LYS 20 4.644 2.275 4.042 128 HD2 LYS 20 2HD LYS 20 6.876 2.392 2.956 129 HD3 LYS 20 3HD LYS 20 7.037 4.089 3.429 130 HE2 LYS 20 2HE LYS 20 6.875 3.414 5.845 131 HE3 LYS 20 3HE LYS 20 6.759 1.719 5.353 132 HZ1 LYS 20 3HZ LYS 20 9.045 3.500 4.797 133 HZ2 LYS 20 1HZ LYS 20 9.002 2.322 5.928 134 HZ3 LYS 20 2HZ LYS 20 8.938 1.935 4.343 135 H GLY 21 H GLY 21 3.186 6.449 2.518 136 HA2 GLY 21 2HA GLY 21 2.602 6.859 5.242 137 HA3 GLY 21 3HA GLY 21 2.574 8.063 3.947 138 H ALA 22 H ALA 22 0.497 6.721 2.289 139 HA ALA 22 HA ALA 22 -1.716 7.987 3.472 140 HB1 ALA 22 3HB ALA 22 -1.536 5.941 1.206 141 HB2 ALA 22 1HB ALA 22 -2.960 6.970 1.577 142 HB3 ALA 22 2HB ALA 22 -1.422 7.725 1.041 143 H ILE 23 H ILE 23 -0.810 4.464 3.191 144 HA ILE 23 HA ILE 23 -3.181 3.622 4.499 145 HB ILE 23 HB ILE 23 -0.493 2.247 4.003 146 HG12 ILE 23 2HG1 ILE 23 -3.193 1.849 2.638 147 HG13 ILE 23 3HG1 ILE 23 -1.942 2.937 2.023 148 HG21 ILE 23 1HG2 ILE 23 -1.675 0.139 4.526 149 HG22 ILE 23 2HG2 ILE 23 -1.617 1.242 5.942 150 HG23 ILE 23 3HG2 ILE 23 -3.133 1.076 4.994 151 HD11 ILE 23 3HD1 ILE 23 -1.640 -0.070 2.443 152 HD12 ILE 23 1HD1 ILE 23 -1.874 0.771 0.874 153 HD13 ILE 23 2HD1 ILE 23 -0.369 1.035 1.818 154 H GLU 24 H GLU 24 0.254 4.231 5.566 155 HA GLU 24 HA GLU 24 -0.013 3.107 8.109 156 HB2 GLU 24 2HB GLU 24 2.133 3.685 7.005 157 HB3 GLU 24 3HB GLU 24 1.742 5.406 7.119 158 HG2 GLU 24 2HG GLU 24 1.764 5.258 9.604 159 HG3 GLU 24 3HG GLU 24 2.124 3.529 9.506 160 H LYS 25 H LYS 25 -0.810 6.417 6.871 161 HA LYS 25 HA LYS 25 -1.035 7.610 9.411 162 HB2 LYS 25 2HB LYS 25 -0.768 8.829 7.257 163 HB3 LYS 25 3HB LYS 25 -2.374 8.291 6.748 164 HG2 LYS 25 2HG LYS 25 -3.430 9.564 8.570 165 HG3 LYS 25 3HG LYS 25 -1.848 10.012 9.221 166 HD2 LYS 25 2HD LYS 25 -1.310 11.219 7.098 167 HD3 LYS 25 3HD LYS 25 -2.884 10.761 6.435 168 HE2 LYS 25 2HE LYS 25 -4.023 11.978 8.305 169 HE3 LYS 25 3HE LYS 25 -2.447 12.442 8.960 170 HZ1 LYS 25 3HZ LYS 25 -3.472 13.198 6.297 171 HZ2 LYS 25 1HZ LYS 25 -3.386 14.176 7.602 172 HZ3 LYS 25 2HZ LYS 25 -2.017 13.626 6.902 173 H THR 26 H THR 26 -3.346 5.710 7.389 174 HA THR 26 HA THR 26 -5.509 6.492 9.169 175 HB THR 26 HB THR 26 -6.951 5.274 7.558 176 HG1 THR 26 HG1 THR 26 -6.103 3.976 6.035 177 HG21 THR 26 3HG2 THR 26 -4.933 7.137 6.211 178 HG22 THR 26 1HG2 THR 26 -6.566 6.726 5.587 179 HG23 THR 26 2HG2 THR 26 -6.396 7.640 7.123 180 H VAL 27 H VAL 27 -3.205 3.870 8.688 181 HA VAL 27 HA VAL 27 -4.824 2.233 10.514 182 HB VAL 27 HB VAL 27 -2.875 1.279 8.352 183 HG11 VAL 27 1HG1 VAL 27 -3.691 -0.979 8.950 184 HG12 VAL 27 2HG1 VAL 27 -2.885 -0.171 10.337 185 HG13 VAL 27 3HG1 VAL 27 -4.677 -0.268 10.273 186 HG21 VAL 27 3HG2 VAL 27 -4.969 2.139 7.393 187 HG22 VAL 27 1HG2 VAL 27 -4.892 0.350 7.257 188 HG23 VAL 27 2HG2 VAL 27 -5.921 1.111 8.518 189 HA PRO 28 HA PRO 28 -0.941 3.251 12.705 190 HB2 PRO 28 2HB PRO 28 -2.070 3.244 15.236 191 HB3 PRO 28 3HB PRO 28 -2.262 4.639 14.166 192 HG2 PRO 28 2HG PRO 28 -4.192 2.349 14.679 193 HG3 PRO 28 3HG PRO 28 -4.524 4.085 14.611 194 HD2 PRO 28 2HD PRO 28 -5.030 2.469 12.473 195 HD3 PRO 28 3HD PRO 28 -4.494 4.139 12.247 196 H GLY 29 H GLY 29 0.611 2.013 13.662 197 HA2 GLY 29 2HA GLY 29 1.419 0.277 14.902 198 HA3 GLY 29 3HA GLY 29 -0.213 -0.384 15.067 199 H ALA 30 H ALA 30 -1.201 -1.250 12.839 200 HA ALA 30 HA ALA 30 0.187 -3.323 11.817 201 HB1 ALA 30 3HB ALA 30 -1.686 -1.422 10.320 202 HB2 ALA 30 1HB ALA 30 -1.251 -3.086 9.804 203 HB3 ALA 30 2HB ALA 30 -2.177 -2.830 11.322 204 H ALA 31 H ALA 31 1.733 -3.740 10.194 205 HA ALA 31 HA ALA 31 3.410 -1.381 9.766 206 HB1 ALA 31 3HB ALA 31 3.968 -4.381 9.566 207 HB2 ALA 31 1HB ALA 31 5.180 -3.073 9.350 208 HB3 ALA 31 2HB ALA 31 4.387 -3.309 10.945 209 H VAL 32 H VAL 32 3.451 -0.385 7.801 210 HA VAL 32 HA VAL 32 2.454 -1.924 5.525 211 HB VAL 32 HB VAL 32 2.991 1.074 5.851 212 HG11 VAL 32 1HG1 VAL 32 1.730 1.296 3.732 213 HG12 VAL 32 2HG1 VAL 32 3.227 0.325 3.521 214 HG13 VAL 32 3HG1 VAL 32 1.631 -0.493 3.610 215 HG21 VAL 32 3HG2 VAL 32 1.132 0.295 7.257 216 HG22 VAL 32 1HG2 VAL 32 0.525 1.279 5.883 217 HG23 VAL 32 2HG2 VAL 32 0.380 -0.510 5.839 218 H HIS 33 H HIS 33 3.899 -2.764 4.051 219 HA HIS 33 HA HIS 33 6.548 -1.470 3.920 220 HB2 HIS 33 2HB HIS 33 5.836 -4.422 3.541 221 HB3 HIS 33 3HB HIS 33 7.447 -3.715 3.363 222 HD2 HIS 33 HD2 HIS 33 5.213 -5.209 6.110 223 HE1 HIS 33 HE1 HIS 33 8.481 -3.274 8.084 224 H ALA 34 H ALA 34 6.362 -0.189 2.070 225 HA ALA 34 HA ALA 34 5.236 -1.452 -0.324 226 HB1 ALA 34 3HB ALA 34 6.178 1.398 0.264 227 HB2 ALA 34 1HB ALA 34 5.432 0.835 -1.270 228 HB3 ALA 34 2HB ALA 34 4.477 0.820 0.251 229 H ASP 35 H ASP 35 6.563 -2.502 -1.737 230 HA ASP 35 HA ASP 35 9.348 -1.538 -1.884 231 HB2 ASP 35 2HB ASP 35 9.166 -3.841 -1.020 232 HB3 ASP 35 3HB ASP 35 8.162 -4.308 -2.399 233 HA PRO 36 HA PRO 36 7.601 -0.400 -5.906 234 HB2 PRO 36 2HB PRO 36 9.458 1.596 -6.414 235 HB3 PRO 36 3HB PRO 36 8.104 1.877 -5.312 236 HG2 PRO 36 2HG PRO 36 10.975 1.131 -4.655 237 HG3 PRO 36 3HG PRO 36 9.948 2.359 -3.904 238 HD2 PRO 36 2HD PRO 36 10.297 -0.082 -2.743 239 HD3 PRO 36 3HD PRO 36 8.755 0.773 -2.616 240 H ALA 37 H ALA 37 10.896 -1.470 -5.111 241 HA ALA 37 HA ALA 37 11.670 -1.882 -7.808 242 HB1 ALA 37 3HB ALA 37 12.503 -3.263 -5.210 243 HB2 ALA 37 1HB ALA 37 13.358 -3.388 -6.784 244 HB3 ALA 37 2HB ALA 37 13.268 -1.808 -5.934 245 H SER 38 H SER 38 9.907 -3.927 -5.373 246 HA SER 38 HA SER 38 9.535 -5.964 -7.444 247 HB2 SER 38 2HB SER 38 8.715 -5.808 -4.508 248 HB3 SER 38 3HB SER 38 8.410 -7.185 -5.576 249 HG SER 38 HG SER 38 10.728 -6.420 -4.270 250 H ARG 39 H ARG 39 8.071 -3.023 -6.474 251 HA ARG 39 HA ARG 39 6.212 -2.048 -7.144 252 HB2 ARG 39 2HB ARG 39 5.877 -4.430 -8.985 253 HB3 ARG 39 3HB ARG 39 4.961 -2.919 -9.061 254 HG2 ARG 39 2HG ARG 39 7.389 -1.832 -9.221 255 HG3 ARG 39 3HG ARG 39 7.844 -3.452 -9.764 256 HD2 ARG 39 2HD ARG 39 5.740 -1.660 -10.991 257 HD3 ARG 39 3HD ARG 39 7.361 -1.972 -11.624 258 HE ARG 39 HE ARG 39 5.031 -3.713 -11.803 259 HH11 ARG 39 1HH1 ARG 39 8.522 -3.480 -12.138 260 HH12 ARG 39 2HH1 ARG 39 8.636 -4.899 -13.125 261 HH21 ARG 39 1HH2 ARG 39 5.192 -5.522 -13.078 262 HH22 ARG 39 2HH2 ARG 39 6.726 -6.071 -13.666 263 H THR 40 H THR 40 6.146 -3.766 -4.754 264 HA THR 40 HA THR 40 3.345 -4.612 -4.864 265 HB THR 40 HB THR 40 5.675 -6.227 -3.702 266 HG1 THR 40 HG1 THR 40 3.841 -7.199 -5.676 267 HG21 THR 40 3HG2 THR 40 2.673 -6.802 -3.777 268 HG22 THR 40 1HG2 THR 40 3.946 -7.928 -3.196 269 HG23 THR 40 2HG2 THR 40 3.638 -6.391 -2.319 270 H VAL 41 H VAL 41 2.161 -4.040 -3.020 271 HA VAL 41 HA VAL 41 3.752 -3.032 -0.765 272 HB VAL 41 HB VAL 41 0.879 -2.384 -1.603 273 HG11 VAL 41 1HG1 VAL 41 0.970 -0.691 0.202 274 HG12 VAL 41 2HG1 VAL 41 1.156 -2.360 0.841 275 HG13 VAL 41 3HG1 VAL 41 2.593 -1.295 0.680 276 HG21 VAL 41 3HG2 VAL 41 2.559 -1.371 -3.084 277 HG22 VAL 41 1HG2 VAL 41 1.777 -0.123 -2.057 278 HG23 VAL 41 2HG2 VAL 41 3.430 -0.705 -1.662 279 H VAL 42 H VAL 42 3.724 -4.293 1.073 280 HA VAL 42 HA VAL 42 1.380 -6.034 1.417 281 HB VAL 42 HB VAL 42 4.268 -6.429 2.351 282 HG11 VAL 42 1HG1 VAL 42 3.480 -8.624 3.184 283 HG12 VAL 42 2HG1 VAL 42 2.662 -7.260 4.017 284 HG13 VAL 42 3HG1 VAL 42 1.796 -8.182 2.742 285 HG21 VAL 42 3HG2 VAL 42 3.952 -6.860 -0.048 286 HG22 VAL 42 1HG2 VAL 42 4.222 -8.394 0.846 287 HG23 VAL 42 2HG2 VAL 42 2.566 -7.943 0.316 288 H VAL 43 H VAL 43 0.176 -5.760 3.296 289 HA VAL 43 HA VAL 43 1.391 -4.035 5.341 290 HB VAL 43 HB VAL 43 -1.555 -4.462 4.624 291 HG11 VAL 43 1HG1 VAL 43 -1.993 -2.679 6.288 292 HG12 VAL 43 2HG1 VAL 43 -1.239 -4.126 7.041 293 HG13 VAL 43 3HG1 VAL 43 -0.250 -2.661 6.720 294 HG21 VAL 43 3HG2 VAL 43 -0.355 -3.083 2.981 295 HG22 VAL 43 1HG2 VAL 43 -1.486 -2.080 3.952 296 HG23 VAL 43 2HG2 VAL 43 0.276 -2.039 4.298 297 H GLY 44 H GLY 44 2.014 -5.202 7.148 298 HA2 GLY 44 2HA GLY 44 0.685 -7.801 7.539 299 HA3 GLY 44 3HA GLY 44 2.299 -7.337 8.094 300 H GLY 45 H GLY 45 0.382 -8.537 9.862 301 HA2 GLY 45 2HA GLY 45 -0.176 -8.106 12.047 302 HA3 GLY 45 3HA GLY 45 0.015 -6.369 11.772 303 H VAL 46 H VAL 46 -1.875 -5.166 11.729 304 HA VAL 46 HA VAL 46 -4.373 -6.516 11.244 305 HB VAL 46 HB VAL 46 -3.650 -3.577 11.696 306 HG11 VAL 46 1HG1 VAL 46 -6.081 -3.222 12.011 307 HG12 VAL 46 2HG1 VAL 46 -5.696 -3.770 10.344 308 HG13 VAL 46 3HG1 VAL 46 -6.387 -4.926 11.532 309 HG21 VAL 46 3HG2 VAL 46 -3.272 -5.015 13.650 310 HG22 VAL 46 1HG2 VAL 46 -4.685 -3.938 13.913 311 HG23 VAL 46 2HG2 VAL 46 -4.939 -5.669 13.508 312 H SER 47 H SER 47 -5.696 -6.312 9.373 313 HA SER 47 HA SER 47 -4.626 -4.760 7.143 314 HB2 SER 47 2HB SER 47 -4.560 -6.687 5.673 315 HB3 SER 47 3HB SER 47 -3.486 -6.969 7.049 316 HG SER 47 HG SER 47 -4.637 -8.835 6.840 317 H ASP 48 H ASP 48 -6.193 -4.670 5.295 318 HA ASP 48 HA ASP 48 -8.819 -5.703 5.648 319 HB2 ASP 48 2HB ASP 48 -8.819 -3.880 7.372 320 HB3 ASP 48 3HB ASP 48 -8.405 -2.710 6.111 321 H ALA 49 H ALA 49 -9.126 -6.249 3.503 322 HA ALA 49 HA ALA 49 -7.513 -5.091 1.511 323 HB1 ALA 49 3HB ALA 49 -10.032 -6.814 1.321 324 HB2 ALA 49 1HB ALA 49 -8.875 -6.497 -0.016 325 HB3 ALA 49 2HB ALA 49 -8.341 -7.409 1.437 326 H ALA 50 H ALA 50 -10.979 -4.550 2.451 327 HA ALA 50 HA ALA 50 -11.661 -3.028 0.202 328 HB1 ALA 50 3HB ALA 50 -12.688 -2.924 3.083 329 HB2 ALA 50 1HB ALA 50 -13.505 -2.209 1.652 330 HB3 ALA 50 2HB ALA 50 -13.300 -3.989 1.772 331 H HIS 51 H HIS 51 -10.353 -2.003 3.457 332 HA HIS 51 HA HIS 51 -10.530 0.753 2.851 333 HB2 HIS 51 2HB HIS 51 -10.441 -0.123 5.152 334 HB3 HIS 51 3HB HIS 51 -8.836 -0.808 4.863 335 HD2 HIS 51 HD2 HIS 51 -6.735 0.927 5.338 336 HE1 HIS 51 HE1 HIS 51 -9.075 4.480 5.810 337 H ILE 52 H ILE 52 -7.727 -1.607 2.774 338 HA ILE 52 HA ILE 52 -5.840 0.365 2.211 339 HB ILE 52 HB ILE 52 -5.895 -2.648 1.710 340 HG12 ILE 52 2HG1 ILE 52 -4.353 -0.991 3.758 341 HG13 ILE 52 3HG1 ILE 52 -5.938 -1.708 4.080 342 HG21 ILE 52 1HG2 ILE 52 -3.450 -2.497 1.365 343 HG22 ILE 52 2HG2 ILE 52 -4.360 -1.607 0.098 344 HG23 ILE 52 3HG2 ILE 52 -3.556 -0.705 1.427 345 HD11 ILE 52 3HD1 ILE 52 -3.409 -3.239 3.321 346 HD12 ILE 52 1HD1 ILE 52 -4.133 -3.119 4.960 347 HD13 ILE 52 2HD1 ILE 52 -5.018 -3.967 3.647 348 H ALA 53 H ALA 53 -7.868 -1.722 0.040 349 HA ALA 53 HA ALA 53 -6.531 -1.070 -2.342 350 HB1 ALA 53 3HB ALA 53 -9.442 -1.839 -1.812 351 HB2 ALA 53 1HB ALA 53 -8.627 -1.859 -3.413 352 HB3 ALA 53 2HB ALA 53 -8.079 -2.970 -2.112 353 H GLU 54 H GLU 54 -9.275 0.542 -0.585 354 HA GLU 54 HA GLU 54 -9.767 2.435 -2.626 355 HB2 GLU 54 2HB GLU 54 -10.310 2.345 0.372 356 HB3 GLU 54 3HB GLU 54 -10.801 3.710 -0.640 357 HG2 GLU 54 2HG GLU 54 -12.241 2.255 -1.997 358 HG3 GLU 54 3HG GLU 54 -11.662 0.818 -1.143 359 H ILE 55 H ILE 55 -7.500 2.342 0.195 360 HA ILE 55 HA ILE 55 -6.800 5.054 0.066 361 HB ILE 55 HB ILE 55 -5.337 2.578 1.100 362 HG12 ILE 55 2HG1 ILE 55 -7.430 3.206 2.265 363 HG13 ILE 55 3HG1 ILE 55 -6.005 3.395 3.294 364 HG21 ILE 55 1HG2 ILE 55 -3.818 4.140 2.270 365 HG22 ILE 55 2HG2 ILE 55 -3.682 4.287 0.485 366 HG23 ILE 55 3HG2 ILE 55 -4.591 5.521 1.420 367 HD11 ILE 55 3HD1 ILE 55 -7.456 5.644 1.828 368 HD12 ILE 55 1HD1 ILE 55 -7.559 5.272 3.582 369 HD13 ILE 55 2HD1 ILE 55 -6.008 5.836 2.874 370 H ILE 56 H ILE 56 -5.296 2.068 -1.416 371 HA ILE 56 HA ILE 56 -3.164 3.466 -2.585 372 HB ILE 56 HB ILE 56 -4.520 0.812 -3.270 373 HG12 ILE 56 2HG1 ILE 56 -1.837 1.389 -1.932 374 HG13 ILE 56 3HG1 ILE 56 -3.336 1.117 -1.033 375 HG21 ILE 56 1HG2 ILE 56 -2.507 0.306 -4.616 376 HG22 ILE 56 2HG2 ILE 56 -3.419 1.706 -5.276 377 HG23 ILE 56 3HG2 ILE 56 -1.909 1.977 -4.341 378 HD11 ILE 56 3HD1 ILE 56 -2.024 -0.863 -2.951 379 HD12 ILE 56 1HD1 ILE 56 -1.995 -0.935 -1.157 380 HD13 ILE 56 2HD1 ILE 56 -3.546 -1.138 -2.038 381 H THR 57 H THR 57 -6.469 2.542 -3.811 382 HA THR 57 HA THR 57 -6.109 3.552 -6.389 383 HB THR 57 HB THR 57 -8.620 3.360 -4.643 384 HG1 THR 57 HG1 THR 57 -7.843 1.294 -5.013 385 HG21 THR 57 3HG2 THR 57 -8.326 3.733 -7.664 386 HG22 THR 57 1HG2 THR 57 -9.865 3.450 -6.782 387 HG23 THR 57 2HG2 THR 57 -8.932 4.957 -6.498 388 H ALA 58 H ALA 58 -7.089 5.143 -3.276 389 HA ALA 58 HA ALA 58 -7.781 7.624 -4.417 390 HB1 ALA 58 3HB ALA 58 -6.670 6.905 -1.660 391 HB2 ALA 58 1HB ALA 58 -7.448 8.462 -2.104 392 HB3 ALA 58 2HB ALA 58 -8.402 6.940 -2.134 393 H ALA 59 H ALA 59 -4.613 6.154 -3.541 394 HA ALA 59 HA ALA 59 -3.160 8.583 -3.931 395 HB1 ALA 59 3HB ALA 59 -2.326 5.643 -4.042 396 HB2 ALA 59 1HB ALA 59 -1.209 7.048 -3.993 397 HB3 ALA 59 2HB ALA 59 -2.285 6.707 -2.596 398 H GLY 60 H GLY 60 -4.896 6.561 -6.125 399 HA2 GLY 60 2HA GLY 60 -5.209 7.244 -8.305 400 HA3 GLY 60 3HA GLY 60 -3.668 8.112 -8.273 401 H TYR 61 H TYR 61 -3.423 4.897 -6.927 402 HA TYR 61 HA TYR 61 -2.469 3.901 -9.536 403 HB2 TYR 61 2HB TYR 61 -1.225 3.455 -6.777 404 HB3 TYR 61 3HB TYR 61 -0.670 2.731 -8.293 405 HD1 TYR 61 HD1 TYR 61 0.171 4.298 -10.149 406 HD2 TYR 61 HD2 TYR 61 -0.470 5.604 -6.112 407 HE1 TYR 61 HE1 TYR 61 1.634 6.252 -10.554 408 HE2 TYR 61 HE2 TYR 61 0.990 7.564 -6.510 409 HH TYR 61 HH TYR 61 2.722 8.313 -7.943 410 H THR 62 H THR 62 -4.845 3.081 -9.492 411 HA THR 62 HA THR 62 -5.926 1.445 -7.666 412 HB THR 62 HB THR 62 -5.953 0.997 -10.698 413 HG1 THR 62 HG1 THR 62 -7.883 2.353 -10.546 414 HG21 THR 62 3HG2 THR 62 -7.945 0.209 -8.515 415 HG22 THR 62 1HG2 THR 62 -8.177 -0.012 -10.282 416 HG23 THR 62 2HG2 THR 62 -6.875 -0.908 -9.429 417 HA PRO 63 HA PRO 63 -2.955 -1.890 -7.579 418 HB2 PRO 63 2HB PRO 63 -3.904 -3.116 -5.312 419 HB3 PRO 63 3HB PRO 63 -3.110 -1.541 -5.189 420 HG2 PRO 63 2HG PRO 63 -6.081 -2.178 -5.253 421 HG3 PRO 63 3HG PRO 63 -5.205 -1.084 -4.174 422 HD2 PRO 63 2HD PRO 63 -6.563 -0.170 -6.376 423 HD3 PRO 63 3HD PRO 63 -5.109 0.638 -5.773 424 H GLU 64 H GLU 64 -2.792 -4.195 -7.828 425 HA GLU 64 HA GLU 64 -5.361 -5.406 -8.629 426 HB2 GLU 64 2HB GLU 64 -2.512 -5.917 -9.606 427 HB3 GLU 64 3HB GLU 64 -3.892 -6.951 -9.998 428 HG2 GLU 64 2HG GLU 64 -5.026 -4.963 -11.065 429 HG3 GLU 64 3HG GLU 64 -3.572 -4.005 -10.753 Start of MODEL 20 1 H ALA 1 1H ALA 1 2.133 -14.562 6.615 2 HA ALA 1 HA ALA 1 0.936 -13.612 8.516 3 HB1 ALA 1 3HB ALA 1 3.692 -12.509 7.788 4 HB2 ALA 1 1HB ALA 1 2.980 -12.548 9.436 5 HB3 ALA 1 2HB ALA 1 3.351 -14.083 8.581 6 H GLY 2 H GLY 2 -0.069 -12.075 6.081 7 HA2 GLY 2 2HA GLY 2 -0.949 -9.771 7.314 8 HA3 GLY 2 3HA GLY 2 0.564 -9.328 6.514 9 H LEU 3 H LEU 3 -0.960 -7.872 5.222 10 HA LEU 3 HA LEU 3 -2.394 -9.387 3.145 11 HB2 LEU 3 2HB LEU 3 -2.491 -6.505 4.136 12 HB3 LEU 3 3HB LEU 3 -3.228 -6.998 2.605 13 HG LEU 3 HG LEU 3 -4.541 -8.764 4.011 14 HD11 LEU 3 1HD1 LEU 3 -4.866 -8.143 6.377 15 HD12 LEU 3 2HD1 LEU 3 -3.159 -8.589 6.041 16 HD13 LEU 3 3HD1 LEU 3 -3.618 -6.861 6.214 17 HD21 LEU 3 3HD2 LEU 3 -5.531 -6.751 2.978 18 HD22 LEU 3 1HD2 LEU 3 -6.244 -7.068 4.596 19 HD23 LEU 3 2HD2 LEU 3 -5.021 -5.768 4.393 20 H SER 4 H SER 4 -1.919 -9.117 0.921 21 HA SER 4 HA SER 4 0.525 -7.549 0.371 22 HB2 SER 4 2HB SER 4 1.031 -9.948 0.365 23 HB3 SER 4 3HB SER 4 -0.339 -10.270 -0.707 24 HG SER 4 HG SER 4 0.802 -9.659 -2.385 25 H PHE 5 H PHE 5 0.306 -6.015 -1.209 26 HA PHE 5 HA PHE 5 -1.922 -6.393 -3.108 27 HB2 PHE 5 2HB PHE 5 -0.894 -3.773 -1.916 28 HB3 PHE 5 3HB PHE 5 -2.171 -3.934 -3.129 29 HD1 PHE 5 HD1 PHE 5 -1.277 -4.497 0.422 30 HD2 PHE 5 HD2 PHE 5 -4.404 -4.642 -2.521 31 HE1 PHE 5 HE1 PHE 5 -2.963 -4.714 2.221 32 HE2 PHE 5 HE2 PHE 5 -6.088 -4.856 -0.720 33 HZ PHE 5 HZ PHE 5 -5.371 -4.888 1.656 34 H HIS 6 H HIS 6 -1.483 -5.887 -5.300 35 HA HIS 6 HA HIS 6 1.369 -5.350 -5.834 36 HB2 HIS 6 2HB HIS 6 -0.546 -7.184 -7.361 37 HB3 HIS 6 3HB HIS 6 1.130 -6.838 -7.807 38 HD2 HIS 6 HD2 HIS 6 -0.865 -9.231 -5.518 39 HE1 HIS 6 HE1 HIS 6 3.284 -9.756 -4.605 40 H VAL 7 H VAL 7 1.728 -3.527 -7.057 41 HA VAL 7 HA VAL 7 -0.646 -2.430 -8.401 42 HB VAL 7 HB VAL 7 1.672 -0.987 -7.017 43 HG11 VAL 7 1HG1 VAL 7 0.419 1.086 -7.537 44 HG12 VAL 7 2HG1 VAL 7 0.931 0.223 -9.027 45 HG13 VAL 7 3HG1 VAL 7 -0.775 0.124 -8.472 46 HG21 VAL 7 3HG2 VAL 7 0.050 -1.961 -5.447 47 HG22 VAL 7 1HG2 VAL 7 -0.086 -0.171 -5.477 48 HG23 VAL 7 2HG2 VAL 7 -1.300 -1.179 -6.336 49 H GLU 8 H GLU 8 -0.452 -2.174 -10.612 50 HA GLU 8 HA GLU 8 1.918 -3.117 -11.844 51 HB2 GLU 8 2HB GLU 8 -0.611 -1.763 -12.891 52 HB3 GLU 8 3HB GLU 8 0.680 -2.350 -13.948 53 HG2 GLU 8 2HG GLU 8 0.346 -4.658 -13.121 54 HG3 GLU 8 3HG GLU 8 -0.890 -4.096 -11.988 55 H ASP 9 H ASP 9 0.533 0.189 -11.282 56 HA ASP 9 HA ASP 9 2.635 1.295 -12.995 57 HB2 ASP 9 2HB ASP 9 0.074 2.413 -11.768 58 HB3 ASP 9 3HB ASP 9 1.271 3.433 -12.577 59 H MET 10 H MET 10 3.102 0.144 -10.174 60 HA MET 10 HA MET 10 3.599 2.479 -8.558 61 HB2 MET 10 2HB MET 10 2.936 0.263 -7.626 62 HB3 MET 10 3HB MET 10 4.426 -0.448 -8.261 63 HG2 MET 10 2HG MET 10 4.642 0.023 -5.866 64 HG3 MET 10 3HG MET 10 5.784 1.001 -6.798 65 HE1 MET 10 3HE MET 10 2.553 1.829 -4.033 66 HE2 MET 10 1HE MET 10 1.680 2.313 -5.526 67 HE3 MET 10 2HE MET 10 2.402 0.673 -5.399 68 H THR 11 H THR 11 5.124 3.854 -9.579 69 HA THR 11 HA THR 11 7.693 2.726 -10.251 70 HB THR 11 HB THR 11 8.328 5.067 -10.723 71 HG1 THR 11 HG1 THR 11 7.300 6.448 -9.393 72 HG21 THR 11 3HG2 THR 11 5.544 4.365 -11.775 73 HG22 THR 11 1HG2 THR 11 6.679 5.547 -12.508 74 HG23 THR 11 2HG2 THR 11 7.108 3.804 -12.457 75 H CYS 12 H CYS 12 9.666 4.204 -9.261 76 HA CYS 12 HA CYS 12 9.469 3.724 -6.320 77 HB2 CYS 12 2HB CYS 12 11.071 2.517 -7.952 78 HB3 CYS 12 3HB CYS 12 11.707 4.098 -8.427 79 HG CYS 12 HG CYS 12 13.569 2.880 -6.684 80 H GLY 13 H GLY 13 9.380 5.387 -4.932 81 HA2 GLY 13 2HA GLY 13 10.807 7.600 -4.763 82 HA3 GLY 13 3HA GLY 13 9.713 8.054 -6.077 83 H HIS 14 H HIS 14 8.623 9.711 -4.827 84 HA HIS 14 HA HIS 14 7.106 8.935 -2.523 85 HB2 HIS 14 2HB HIS 14 6.868 11.309 -4.436 86 HB3 HIS 14 3HB HIS 14 5.967 11.131 -2.925 87 HD2 HIS 14 HD2 HIS 14 9.187 12.719 -4.110 88 HE1 HIS 14 HE1 HIS 14 9.719 12.030 0.081 89 H CYS 15 H CYS 15 6.436 6.843 -3.981 90 HA CYS 15 HA CYS 15 3.616 7.447 -4.774 91 HB2 CYS 15 2HB CYS 15 5.747 5.546 -5.969 92 HB3 CYS 15 3HB CYS 15 4.083 5.703 -6.547 93 HG CYS 15 HG CYS 15 5.730 6.994 -8.416 94 H ALA 16 H ALA 16 5.694 4.462 -4.420 95 HA ALA 16 HA ALA 16 3.940 3.150 -2.703 96 HB1 ALA 16 3HB ALA 16 6.993 3.088 -2.850 97 HB2 ALA 16 1HB ALA 16 5.958 1.869 -2.033 98 HB3 ALA 16 2HB ALA 16 5.860 2.082 -3.813 99 H GLY 17 H GLY 17 6.384 5.735 -2.033 100 HA2 GLY 17 2HA GLY 17 6.267 5.561 0.772 101 HA3 GLY 17 3HA GLY 17 6.688 6.981 -0.195 102 H VAL 18 H VAL 18 4.154 7.280 -1.647 103 HA VAL 18 HA VAL 18 2.652 8.654 0.282 104 HB VAL 18 HB VAL 18 2.018 7.716 -2.557 105 HG11 VAL 18 1HG1 VAL 18 0.108 9.290 -2.491 106 HG12 VAL 18 2HG1 VAL 18 -0.080 7.960 -1.299 107 HG13 VAL 18 3HG1 VAL 18 0.425 9.593 -0.749 108 HG21 VAL 18 3HG2 VAL 18 3.818 9.376 -2.370 109 HG22 VAL 18 1HG2 VAL 18 2.351 10.104 -3.108 110 HG23 VAL 18 2HG2 VAL 18 2.753 10.440 -1.390 111 H ILE 19 H ILE 19 2.230 5.396 -1.298 112 HA ILE 19 HA ILE 19 -0.267 4.898 -0.108 113 HB ILE 19 HB ILE 19 1.902 3.029 -1.187 114 HG12 ILE 19 2HG1 ILE 19 0.968 4.536 -2.871 115 HG13 ILE 19 3HG1 ILE 19 0.425 2.878 -3.156 116 HG21 ILE 19 1HG2 ILE 19 0.135 1.302 -1.260 117 HG22 ILE 19 2HG2 ILE 19 0.480 1.835 0.420 118 HG23 ILE 19 3HG2 ILE 19 -0.991 2.424 -0.424 119 HD11 ILE 19 3HD1 ILE 19 -1.206 5.081 -1.814 120 HD12 ILE 19 1HD1 ILE 19 -1.405 4.477 -3.494 121 HD13 ILE 19 2HD1 ILE 19 -1.757 3.396 -2.104 122 H LYS 20 H LYS 20 3.152 4.159 0.890 123 HA LYS 20 HA LYS 20 2.532 2.502 3.043 124 HB2 LYS 20 2HB LYS 20 4.788 2.766 2.093 125 HB3 LYS 20 3HB LYS 20 4.836 4.460 2.598 126 HG2 LYS 20 2HG LYS 20 4.695 3.726 4.997 127 HG3 LYS 20 3HG LYS 20 4.713 2.039 4.466 128 HD2 LYS 20 2HD LYS 20 6.935 2.335 3.436 129 HD3 LYS 20 3HD LYS 20 6.911 4.066 3.798 130 HE2 LYS 20 2HE LYS 20 6.769 3.518 6.258 131 HE3 LYS 20 3HE LYS 20 6.883 1.799 5.859 132 HZ1 LYS 20 3HZ LYS 20 8.929 3.829 5.232 133 HZ2 LYS 20 1HZ LYS 20 9.018 2.718 6.425 134 HZ3 LYS 20 2HZ LYS 20 9.034 2.242 4.863 135 H GLY 21 H GLY 21 3.045 6.133 2.968 136 HA2 GLY 21 2HA GLY 21 2.581 6.463 5.730 137 HA3 GLY 21 3HA GLY 21 2.501 7.704 4.473 138 H ALA 22 H ALA 22 0.358 6.409 2.858 139 HA ALA 22 HA ALA 22 -1.818 7.599 4.203 140 HB1 ALA 22 3HB ALA 22 -1.705 5.706 1.804 141 HB2 ALA 22 1HB ALA 22 -3.124 6.691 2.296 142 HB3 ALA 22 2HB ALA 22 -1.615 7.499 1.750 143 H ILE 23 H ILE 23 -0.849 4.122 3.704 144 HA ILE 23 HA ILE 23 -3.193 3.145 4.961 145 HB ILE 23 HB ILE 23 -0.465 1.877 4.391 146 HG12 ILE 23 2HG1 ILE 23 -3.164 1.505 3.012 147 HG13 ILE 23 3HG1 ILE 23 -1.914 2.620 2.445 148 HG21 ILE 23 1HG2 ILE 23 -1.581 -0.290 4.805 149 HG22 ILE 23 2HG2 ILE 23 -1.551 0.738 6.277 150 HG23 ILE 23 3HG2 ILE 23 -3.065 0.577 5.325 151 HD11 ILE 23 3HD1 ILE 23 -1.608 -0.403 2.737 152 HD12 ILE 23 1HD1 ILE 23 -1.841 0.504 1.204 153 HD13 ILE 23 2HD1 ILE 23 -0.338 0.729 2.161 154 H GLU 24 H GLU 24 0.236 3.727 6.077 155 HA GLU 24 HA GLU 24 -0.038 2.665 8.630 156 HB2 GLU 24 2HB GLU 24 2.090 3.374 7.546 157 HB3 GLU 24 3HB GLU 24 1.592 5.067 7.673 158 HG2 GLU 24 2HG GLU 24 1.589 4.900 10.150 159 HG3 GLU 24 3HG GLU 24 2.032 3.191 10.049 160 H LYS 25 H LYS 25 -1.083 5.856 7.297 161 HA LYS 25 HA LYS 25 -1.449 7.021 9.875 162 HB2 LYS 25 2HB LYS 25 -0.968 8.319 7.811 163 HB3 LYS 25 3HB LYS 25 -2.503 7.789 7.111 164 HG2 LYS 25 2HG LYS 25 -3.765 8.992 8.849 165 HG3 LYS 25 3HG LYS 25 -2.267 9.429 9.682 166 HD2 LYS 25 2HD LYS 25 -1.516 10.712 7.674 167 HD3 LYS 25 3HD LYS 25 -3.002 10.263 6.825 168 HE2 LYS 25 2HE LYS 25 -4.352 11.402 8.611 169 HE3 LYS 25 3HE LYS 25 -2.856 11.875 9.428 170 HZ1 LYS 25 3HZ LYS 25 -3.631 12.682 6.699 171 HZ2 LYS 25 1HZ LYS 25 -3.691 13.627 8.029 172 HZ3 LYS 25 2HZ LYS 25 -2.250 13.118 7.453 173 H THR 26 H THR 26 -3.620 5.362 7.473 174 HA THR 26 HA THR 26 -5.916 6.209 9.012 175 HB THR 26 HB THR 26 -7.212 5.107 7.193 176 HG1 THR 26 HG1 THR 26 -4.681 4.640 5.868 177 HG21 THR 26 3HG2 THR 26 -4.942 6.898 6.194 178 HG22 THR 26 1HG2 THR 26 -6.497 6.598 5.347 179 HG23 THR 26 2HG2 THR 26 -6.486 7.452 6.927 180 H VAL 27 H VAL 27 -3.815 3.369 8.677 181 HA VAL 27 HA VAL 27 -5.719 1.913 10.379 182 HB VAL 27 HB VAL 27 -3.425 0.853 8.647 183 HG11 VAL 27 1HG1 VAL 27 -4.292 -1.383 9.263 184 HG12 VAL 27 2HG1 VAL 27 -3.727 -0.467 10.701 185 HG13 VAL 27 3HG1 VAL 27 -5.485 -0.613 10.363 186 HG21 VAL 27 3HG2 VAL 27 -5.350 1.596 7.315 187 HG22 VAL 27 1HG2 VAL 27 -5.226 -0.195 7.313 188 HG23 VAL 27 2HG2 VAL 27 -6.454 0.619 8.340 189 HA PRO 28 HA PRO 28 -2.483 3.203 13.324 190 HB2 PRO 28 2HB PRO 28 -4.607 2.082 15.193 191 HB3 PRO 28 3HB PRO 28 -3.780 3.643 15.281 192 HG2 PRO 28 2HG PRO 28 -6.319 3.553 14.466 193 HG3 PRO 28 3HG PRO 28 -5.184 4.635 13.649 194 HD2 PRO 28 2HD PRO 28 -6.224 1.922 12.730 195 HD3 PRO 28 3HD PRO 28 -5.981 3.395 11.782 196 H GLY 29 H GLY 29 -0.743 2.072 13.892 197 HA2 GLY 29 2HA GLY 29 0.424 0.415 14.883 198 HA3 GLY 29 3HA GLY 29 -1.092 -0.374 15.337 199 H ALA 30 H ALA 30 -0.324 0.496 11.923 200 HA ALA 30 HA ALA 30 -0.040 -2.386 11.376 201 HB1 ALA 30 3HB ALA 30 -0.765 -0.029 9.566 202 HB2 ALA 30 1HB ALA 30 -0.623 -1.743 9.049 203 HB3 ALA 30 2HB ALA 30 -1.900 -1.260 10.216 204 H ALA 31 H ALA 31 1.908 -3.197 10.672 205 HA ALA 31 HA ALA 31 4.029 -1.316 10.026 206 HB1 ALA 31 3HB ALA 31 3.910 -4.371 10.106 207 HB2 ALA 31 1HB ALA 31 5.389 -3.387 9.842 208 HB3 ALA 31 2HB ALA 31 4.516 -3.295 11.410 209 H VAL 32 H VAL 32 3.825 -0.357 8.016 210 HA VAL 32 HA VAL 32 2.888 -2.088 5.849 211 HB VAL 32 HB VAL 32 3.099 0.962 6.024 212 HG11 VAL 32 1HG1 VAL 32 1.763 0.942 3.940 213 HG12 VAL 32 2HG1 VAL 32 3.351 0.131 3.724 214 HG13 VAL 32 3HG1 VAL 32 1.858 -0.851 3.901 215 HG21 VAL 32 3HG2 VAL 32 1.377 0.056 7.525 216 HG22 VAL 32 1HG2 VAL 32 0.627 0.899 6.128 217 HG23 VAL 32 2HG2 VAL 32 0.679 -0.896 6.171 218 H HIS 33 H HIS 33 4.345 -2.780 4.303 219 HA HIS 33 HA HIS 33 6.854 -1.243 4.081 220 HB2 HIS 33 2HB HIS 33 6.460 -4.264 3.806 221 HB3 HIS 33 3HB HIS 33 7.983 -3.388 3.607 222 HD2 HIS 33 HD2 HIS 33 5.828 -4.942 6.425 223 HE1 HIS 33 HE1 HIS 33 9.030 -2.800 8.291 224 H ALA 34 H ALA 34 6.505 -0.065 2.187 225 HA ALA 34 HA ALA 34 5.350 -1.509 -0.089 226 HB1 ALA 34 3HB ALA 34 5.972 1.449 0.382 227 HB2 ALA 34 1HB ALA 34 5.192 0.762 -1.083 228 HB3 ALA 34 2HB ALA 34 4.359 0.667 0.505 229 H ASP 35 H ASP 35 6.653 -2.362 -1.645 230 HA ASP 35 HA ASP 35 9.303 -1.103 -1.981 231 HB2 ASP 35 2HB ASP 35 9.497 -3.347 -0.991 232 HB3 ASP 35 3HB ASP 35 8.461 -4.029 -2.252 233 HA PRO 36 HA PRO 36 7.263 -0.470 -5.961 234 HB2 PRO 36 2HB PRO 36 8.838 1.699 -6.687 235 HB3 PRO 36 3HB PRO 36 7.537 1.895 -5.504 236 HG2 PRO 36 2HG PRO 36 10.511 1.524 -5.029 237 HG3 PRO 36 3HG PRO 36 9.394 2.657 -4.256 238 HD2 PRO 36 2HD PRO 36 10.145 0.318 -3.043 239 HD3 PRO 36 3HD PRO 36 8.547 1.028 -2.781 240 H ALA 37 H ALA 37 10.672 -1.136 -5.257 241 HA ALA 37 HA ALA 37 11.436 -1.622 -7.932 242 HB1 ALA 37 3HB ALA 37 12.346 -2.884 -5.299 243 HB2 ALA 37 1HB ALA 37 13.199 -3.014 -6.875 244 HB3 ALA 37 2HB ALA 37 13.035 -1.416 -6.071 245 H SER 38 H SER 38 9.749 -3.665 -5.446 246 HA SER 38 HA SER 38 9.410 -5.732 -7.497 247 HB2 SER 38 2HB SER 38 8.514 -7.066 -5.681 248 HB3 SER 38 3HB SER 38 10.061 -6.369 -5.181 249 HG SER 38 HG SER 38 8.253 -4.571 -4.473 250 H ARG 39 H ARG 39 7.917 -2.813 -6.567 251 HA ARG 39 HA ARG 39 5.966 -1.907 -7.048 252 HB2 ARG 39 2HB ARG 39 5.408 -4.225 -8.903 253 HB3 ARG 39 3HB ARG 39 4.751 -2.584 -8.963 254 HG2 ARG 39 2HG ARG 39 7.054 -1.713 -9.434 255 HG3 ARG 39 3HG ARG 39 7.655 -3.376 -9.451 256 HD2 ARG 39 2HD ARG 39 7.366 -2.982 -11.671 257 HD3 ARG 39 3HD ARG 39 5.839 -3.771 -11.255 258 HE ARG 39 HE ARG 39 4.706 -1.790 -11.671 259 HH11 ARG 39 1HH1 ARG 39 8.159 -1.135 -11.642 260 HH12 ARG 39 2HH1 ARG 39 7.983 0.433 -12.357 261 HH21 ARG 39 1HH2 ARG 39 4.496 0.227 -12.574 262 HH22 ARG 39 2HH2 ARG 39 5.882 1.216 -12.891 263 H THR 40 H THR 40 6.050 -3.526 -4.671 264 HA THR 40 HA THR 40 3.308 -4.525 -4.629 265 HB THR 40 HB THR 40 5.764 -6.094 -3.685 266 HG1 THR 40 HG1 THR 40 3.837 -7.200 -5.450 267 HG21 THR 40 3HG2 THR 40 2.781 -6.746 -3.501 268 HG22 THR 40 1HG2 THR 40 4.128 -7.846 -3.052 269 HG23 THR 40 2HG2 THR 40 3.861 -6.329 -2.128 270 H VAL 41 H VAL 41 2.251 -4.129 -2.650 271 HA VAL 41 HA VAL 41 3.961 -2.986 -0.547 272 HB VAL 41 HB VAL 41 1.007 -2.471 -1.166 273 HG11 VAL 41 1HG1 VAL 41 1.167 -0.748 0.604 274 HG12 VAL 41 2HG1 VAL 41 1.473 -2.397 1.246 275 HG13 VAL 41 3HG1 VAL 41 2.846 -1.276 0.960 276 HG21 VAL 41 3HG2 VAL 41 2.519 -1.413 -2.789 277 HG22 VAL 41 1HG2 VAL 41 1.768 -0.182 -1.718 278 HG23 VAL 41 2HG2 VAL 41 3.470 -0.688 -1.449 279 H VAL 42 H VAL 42 4.108 -4.192 1.322 280 HA VAL 42 HA VAL 42 1.978 -6.170 1.754 281 HB VAL 42 HB VAL 42 4.935 -6.261 2.539 282 HG11 VAL 42 1HG1 VAL 42 4.434 -8.541 3.363 283 HG12 VAL 42 2HG1 VAL 42 3.516 -7.287 4.263 284 HG13 VAL 42 3HG1 VAL 42 2.692 -8.279 3.013 285 HG21 VAL 42 3HG2 VAL 42 4.545 -6.685 0.149 286 HG22 VAL 42 1HG2 VAL 42 5.026 -8.195 0.995 287 HG23 VAL 42 2HG2 VAL 42 3.306 -7.919 0.557 288 H VAL 43 H VAL 43 0.848 -6.056 3.692 289 HA VAL 43 HA VAL 43 1.968 -4.234 5.711 290 HB VAL 43 HB VAL 43 -0.960 -4.885 5.090 291 HG11 VAL 43 1HG1 VAL 43 -1.468 -3.127 6.758 292 HG12 VAL 43 2HG1 VAL 43 -0.579 -4.505 7.489 293 HG13 VAL 43 3HG1 VAL 43 0.283 -2.973 7.123 294 HG21 VAL 43 3HG2 VAL 43 0.065 -3.439 3.390 295 HG22 VAL 43 1HG2 VAL 43 -1.099 -2.515 4.398 296 HG23 VAL 43 2HG2 VAL 43 0.667 -2.335 4.673 297 H GLY 44 H GLY 44 2.648 -5.293 7.555 298 HA2 GLY 44 2HA GLY 44 2.089 -8.083 7.829 299 HA3 GLY 44 3HA GLY 44 3.046 -7.056 8.904 300 H GLY 45 H GLY 45 0.991 -9.167 9.594 301 HA2 GLY 45 2HA GLY 45 -0.297 -9.286 11.476 302 HA3 GLY 45 3HA GLY 45 -0.398 -7.522 11.538 303 H VAL 46 H VAL 46 -2.292 -6.522 10.838 304 HA VAL 46 HA VAL 46 -3.919 -7.883 8.877 305 HB VAL 46 HB VAL 46 -4.705 -8.860 11.026 306 HG11 VAL 46 1HG1 VAL 46 -5.805 -7.414 12.706 307 HG12 VAL 46 2HG1 VAL 46 -4.061 -7.022 12.525 308 HG13 VAL 46 3HG1 VAL 46 -5.302 -5.961 11.777 309 HG21 VAL 46 3HG2 VAL 46 -6.307 -8.511 9.194 310 HG22 VAL 46 1HG2 VAL 46 -7.097 -8.270 10.789 311 HG23 VAL 46 2HG2 VAL 46 -6.643 -6.849 9.789 312 H SER 47 H SER 47 -5.293 -6.417 7.731 313 HA SER 47 HA SER 47 -5.528 -3.693 8.726 314 HB2 SER 47 2HB SER 47 -3.341 -3.700 7.577 315 HB3 SER 47 3HB SER 47 -4.083 -4.402 6.133 316 HG SER 47 HG SER 47 -3.773 -1.894 6.518 317 H ASP 48 H ASP 48 -7.419 -2.707 7.986 318 HA ASP 48 HA ASP 48 -9.325 -4.183 6.557 319 HB2 ASP 48 2HB ASP 48 -9.784 -2.251 8.078 320 HB3 ASP 48 3HB ASP 48 -9.029 -1.160 6.909 321 H ALA 49 H ALA 49 -8.930 -4.945 4.488 322 HA ALA 49 HA ALA 49 -7.095 -3.669 2.761 323 HB1 ALA 49 3HB ALA 49 -9.260 -5.764 2.235 324 HB2 ALA 49 1HB ALA 49 -7.917 -5.341 1.120 325 HB3 ALA 49 2HB ALA 49 -7.560 -6.087 2.715 326 H ALA 50 H ALA 50 -10.645 -3.375 3.208 327 HA ALA 50 HA ALA 50 -11.259 -2.328 0.691 328 HB1 ALA 50 3HB ALA 50 -12.503 -1.800 3.435 329 HB2 ALA 50 1HB ALA 50 -13.260 -1.422 1.850 330 HB3 ALA 50 2HB ALA 50 -12.936 -3.129 2.307 331 H HIS 51 H HIS 51 -10.067 -0.704 3.717 332 HA HIS 51 HA HIS 51 -10.331 1.910 2.661 333 HB2 HIS 51 2HB HIS 51 -8.656 0.691 4.905 334 HB3 HIS 51 3HB HIS 51 -8.640 2.419 4.528 335 HD2 HIS 51 HD2 HIS 51 -12.211 1.765 3.998 336 HE1 HIS 51 HE1 HIS 51 -11.891 2.102 8.254 337 H ILE 52 H ILE 52 -7.639 -0.531 2.682 338 HA ILE 52 HA ILE 52 -5.693 1.175 1.646 339 HB ILE 52 HB ILE 52 -6.107 -1.846 1.455 340 HG12 ILE 52 2HG1 ILE 52 -4.142 -0.172 3.088 341 HG13 ILE 52 3HG1 ILE 52 -5.690 -0.765 3.705 342 HG21 ILE 52 1HG2 ILE 52 -3.748 -1.983 0.726 343 HG22 ILE 52 2HG2 ILE 52 -4.767 -1.107 -0.466 344 HG23 ILE 52 3HG2 ILE 52 -3.678 -0.191 0.630 345 HD11 ILE 52 3HD1 ILE 52 -3.394 -2.499 2.689 346 HD12 ILE 52 1HD1 ILE 52 -3.842 -2.219 4.406 347 HD13 ILE 52 2HD1 ILE 52 -4.965 -3.101 3.316 348 H ALA 53 H ALA 53 -8.208 -0.884 0.021 349 HA ALA 53 HA ALA 53 -7.268 -0.493 -2.597 350 HB1 ALA 53 3HB ALA 53 -10.090 -0.976 -1.521 351 HB2 ALA 53 1HB ALA 53 -9.574 -1.162 -3.231 352 HB3 ALA 53 2HB ALA 53 -8.888 -2.235 -1.965 353 H GLU 54 H GLU 54 -9.568 1.436 -0.536 354 HA GLU 54 HA GLU 54 -10.221 3.303 -2.533 355 HB2 GLU 54 2HB GLU 54 -10.097 3.429 0.513 356 HB3 GLU 54 3HB GLU 54 -10.661 4.782 -0.476 357 HG2 GLU 54 2HG GLU 54 -12.503 3.425 -1.373 358 HG3 GLU 54 3HG GLU 54 -11.898 1.986 -0.542 359 H ILE 55 H ILE 55 -7.454 3.104 -0.192 360 HA ILE 55 HA ILE 55 -6.519 5.691 -0.636 361 HB ILE 55 HB ILE 55 -5.163 3.097 0.228 362 HG12 ILE 55 2HG1 ILE 55 -5.772 5.652 1.783 363 HG13 ILE 55 3HG1 ILE 55 -6.889 4.284 1.693 364 HG21 ILE 55 1HG2 ILE 55 -3.213 4.464 0.889 365 HG22 ILE 55 2HG2 ILE 55 -3.477 4.489 -0.888 366 HG23 ILE 55 3HG2 ILE 55 -3.961 5.900 0.112 367 HD11 ILE 55 3HD1 ILE 55 -4.047 4.194 2.800 368 HD12 ILE 55 1HD1 ILE 55 -5.566 4.211 3.758 369 HD13 ILE 55 2HD1 ILE 55 -5.181 2.805 2.709 370 H ILE 56 H ILE 56 -5.634 2.523 -2.236 371 HA ILE 56 HA ILE 56 -3.594 3.648 -3.793 372 HB ILE 56 HB ILE 56 -5.295 1.128 -4.123 373 HG12 ILE 56 2HG1 ILE 56 -2.386 1.471 -3.261 374 HG13 ILE 56 3HG1 ILE 56 -3.737 1.388 -2.122 375 HG21 ILE 56 1HG2 ILE 56 -3.588 0.372 -5.744 376 HG22 ILE 56 2HG2 ILE 56 -4.455 1.836 -6.320 377 HG23 ILE 56 3HG2 ILE 56 -2.794 1.981 -5.653 378 HD11 ILE 56 3HD1 ILE 56 -2.953 -0.782 -4.118 379 HD12 ILE 56 1HD1 ILE 56 -2.637 -0.793 -2.350 380 HD13 ILE 56 2HD1 ILE 56 -4.325 -0.866 -2.962 381 H THR 57 H THR 57 -7.123 3.019 -4.457 382 HA THR 57 HA THR 57 -7.045 3.782 -7.138 383 HB THR 57 HB THR 57 -9.291 3.960 -5.063 384 HG1 THR 57 HG1 THR 57 -8.774 1.808 -5.346 385 HG21 THR 57 3HG2 THR 57 -9.403 4.078 -8.116 386 HG22 THR 57 1HG2 THR 57 -10.818 4.003 -7.013 387 HG23 THR 57 2HG2 THR 57 -9.736 5.436 -6.990 388 H ALA 58 H ALA 58 -7.566 5.710 -4.091 389 HA ALA 58 HA ALA 58 -8.261 8.099 -5.414 390 HB1 ALA 58 3HB ALA 58 -6.982 7.594 -2.683 391 HB2 ALA 58 1HB ALA 58 -7.736 9.133 -3.219 392 HB3 ALA 58 2HB ALA 58 -8.741 7.656 -3.039 393 H ALA 59 H ALA 59 -5.077 6.649 -4.502 394 HA ALA 59 HA ALA 59 -3.634 9.005 -5.286 395 HB1 ALA 59 3HB ALA 59 -2.771 6.108 -4.818 396 HB2 ALA 59 1HB ALA 59 -1.667 7.509 -5.034 397 HB3 ALA 59 2HB ALA 59 -2.754 7.433 -3.606 398 H GLY 60 H GLY 60 -5.252 6.458 -7.044 399 HA2 GLY 60 2HA GLY 60 -5.699 6.768 -9.270 400 HA3 GLY 60 3HA GLY 60 -4.316 7.860 -9.415 401 H TYR 61 H TYR 61 -3.736 4.770 -7.773 402 HA TYR 61 HA TYR 61 -2.027 4.037 -10.026 403 HB2 TYR 61 2HB TYR 61 -2.255 3.037 -7.144 404 HB3 TYR 61 3HB TYR 61 -1.139 2.365 -8.341 405 HD1 TYR 61 HD1 TYR 61 0.402 4.200 -9.556 406 HD2 TYR 61 HD2 TYR 61 -1.462 4.708 -5.725 407 HE1 TYR 61 HE1 TYR 61 2.075 5.929 -8.976 408 HE2 TYR 61 HE2 TYR 61 0.207 6.441 -5.137 409 HH TYR 61 HH TYR 61 2.875 7.270 -7.402 410 H THR 62 H THR 62 -1.829 1.269 -9.768 411 HA THR 62 HA THR 62 -4.538 0.515 -10.614 412 HB THR 62 HB THR 62 -1.919 -0.093 -12.085 413 HG1 THR 62 HG1 THR 62 -2.320 1.706 -13.187 414 HG21 THR 62 3HG2 THR 62 -4.838 -0.666 -12.796 415 HG22 THR 62 1HG2 THR 62 -3.416 -0.992 -13.844 416 HG23 THR 62 2HG2 THR 62 -3.612 -1.878 -12.294 417 HA PRO 63 HA PRO 63 -2.829 -2.783 -7.890 418 HB2 PRO 63 2HB PRO 63 -5.046 -3.076 -6.299 419 HB3 PRO 63 3HB PRO 63 -3.944 -1.720 -6.023 420 HG2 PRO 63 2HG PRO 63 -6.588 -1.758 -7.514 421 HG3 PRO 63 3HG PRO 63 -5.991 -0.576 -6.342 422 HD2 PRO 63 2HD PRO 63 -5.842 -0.163 -9.060 423 HD3 PRO 63 3HD PRO 63 -4.674 0.536 -7.931 424 H GLU 64 H GLU 64 -2.659 -4.708 -8.813 425 HA GLU 64 HA GLU 64 -4.579 -5.874 -10.449 426 HB2 GLU 64 2HB GLU 64 -2.199 -6.575 -10.250 427 HB3 GLU 64 3HB GLU 64 -2.508 -7.176 -8.615 428 HG2 GLU 64 2HG GLU 64 -4.106 -8.852 -9.520 429 HG3 GLU 64 3HG GLU 64 -3.837 -8.238 -11.157
Contact the webmaster for help, if required. Sunday, June 16, 2024 6:04:41 AM GMT (wattos1)