NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2895 | 1cqg | cing | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -8.759 -2.555 8.213 2 2H MET 1 HT3 MET 1 -8.731 -3.854 9.305 3 3H MET 1 HT2 MET 1 -9.879 -2.614 9.490 4 HA MET 1 HA MET 1 -8.375 -1.117 10.323 5 1HB MET 1 HB2 MET 1 -7.302 -3.847 11.107 6 2HB MET 1 HB1 MET 1 -6.964 -2.345 11.961 7 1HG MET 1 HG2 MET 1 -9.736 -3.478 11.516 8 2HG MET 1 HG1 MET 1 -8.816 -3.651 13.008 9 1HE MET 1 HE3 MET 1 -7.965 -1.963 14.377 10 2HE MET 1 HE2 MET 1 -7.432 -0.587 13.410 11 3HE MET 1 HE1 MET 1 -8.661 -0.360 14.650 12 H VAL 2 HN VAL 2 -5.842 -0.893 10.881 13 HA VAL 2 HA VAL 2 -4.448 -1.041 8.240 14 HB VAL 2 HB VAL 2 -3.822 0.539 10.757 15 1HG1 VAL 2 HG12 VAL 2 -2.415 0.282 8.087 16 2HG1 VAL 2 HG11 VAL 2 -2.212 1.702 9.110 17 3HG1 VAL 2 HG13 VAL 2 -1.725 0.113 9.699 18 1HG2 VAL 2 HG22 VAL 2 -5.807 1.288 9.462 19 2HG2 VAL 2 HG21 VAL 2 -4.487 2.454 9.358 20 3HG2 VAL 2 HG23 VAL 2 -4.811 1.365 8.010 21 H LYS 3 HN LYS 3 -2.561 -2.229 7.982 22 HA LYS 3 HA LYS 3 -1.423 -3.622 10.382 23 1HB LYS 3 HB2 LYS 3 -2.859 -5.180 9.095 24 2HB LYS 3 HB1 LYS 3 -1.935 -4.818 7.640 25 1HG LYS 3 HG2 LYS 3 0.021 -5.847 8.493 26 2HG LYS 3 HG1 LYS 3 -0.601 -5.893 10.136 27 1HD LYS 3 HD2 LYS 3 -2.344 -7.498 9.423 28 2HD LYS 3 HD1 LYS 3 -1.717 -7.442 7.777 29 1HE LYS 3 HE2 LYS 3 0.428 -8.354 8.527 30 2HE LYS 3 HE1 LYS 3 -0.126 -8.337 10.201 31 1HZ LYS 3 HZ3 LYS 3 -1.866 -9.714 8.342 32 2HZ LYS 3 HZ2 LYS 3 -0.349 -10.444 8.571 33 3HZ LYS 3 HZ1 LYS 3 -1.370 -10.163 9.900 34 H GLN 4 HN GLN 4 0.738 -3.297 10.535 35 HA GLN 4 HA GLN 4 2.159 -2.081 8.221 36 1HB GLN 4 HB2 GLN 4 2.375 -0.995 10.424 37 2HB GLN 4 HB1 GLN 4 3.009 -2.490 11.109 38 1HG GLN 4 HG2 GLN 4 4.916 -2.378 9.497 39 2HG GLN 4 HG1 GLN 4 4.296 -0.831 8.917 40 1HE2 GLN 4 HE22 GLN 4 6.476 0.527 11.393 41 2HE2 GLN 4 HE21 GLN 4 6.274 0.248 9.733 42 H ILE 5 HN ILE 5 3.359 -3.378 6.924 43 HA ILE 5 HA ILE 5 4.072 -6.122 7.881 44 HB ILE 5 HB ILE 5 4.378 -4.961 5.093 45 1HG1 ILE 5 HG12 ILE 5 2.008 -4.790 5.791 46 2HG1 ILE 5 HG11 ILE 5 2.224 -5.995 4.527 47 1HG2 ILE 5 HG21 ILE 5 4.376 -7.744 6.261 48 2HG2 ILE 5 HG23 ILE 5 4.117 -7.448 4.550 49 3HG2 ILE 5 HG22 ILE 5 5.630 -6.963 5.303 50 1HD1 ILE 5 HD12 ILE 5 2.254 -7.776 6.283 51 2HD1 ILE 5 HD11 ILE 5 1.930 -6.541 7.494 52 3HD1 ILE 5 HD13 ILE 5 0.742 -6.875 6.245 53 H GLU 6 HN GLU 6 6.103 -6.243 8.738 54 HA GLU 6 HA GLU 6 8.173 -4.300 7.855 55 1HB GLU 6 HB2 GLU 6 8.168 -6.280 10.155 56 2HB GLU 6 HB1 GLU 6 9.405 -5.065 9.836 57 1HG GLU 6 HG2 GLU 6 8.065 -3.988 11.427 58 2HG GLU 6 HG1 GLU 6 7.420 -3.369 9.911 59 H SER 7 HN SER 7 7.111 -7.340 6.996 60 HA SER 7 HA SER 7 9.704 -7.943 5.722 61 1HB SER 7 HB2 SER 7 9.829 -10.229 6.647 62 2HB SER 7 HB1 SER 7 9.977 -9.008 7.914 63 HG SER 7 HG SER 7 7.763 -10.632 7.223 64 H LYS 8 HN LYS 8 9.567 -9.611 4.115 65 HA LYS 8 HA LYS 8 7.107 -9.648 2.639 66 1HB LYS 8 HB2 LYS 8 9.447 -10.045 1.706 67 2HB LYS 8 HB1 LYS 8 9.348 -11.659 2.419 68 1HG LYS 8 HG2 LYS 8 7.291 -12.104 1.136 69 2HG LYS 8 HG1 LYS 8 7.410 -10.504 0.404 70 1HD LYS 8 HD2 LYS 8 8.317 -12.223 -1.109 71 2HD LYS 8 HD1 LYS 8 9.584 -11.114 -0.595 72 1HE LYS 8 HE2 LYS 8 10.603 -12.707 0.773 73 2HE LYS 8 HE1 LYS 8 9.115 -13.633 0.985 74 1HZ LYS 8 HZ2 LYS 8 10.305 -13.393 -1.692 75 2HZ LYS 8 HZ1 LYS 8 10.973 -14.493 -0.582 76 3HZ LYS 8 HZ3 LYS 8 9.349 -14.638 -1.045 77 H THR 9 HN THR 9 8.522 -11.736 5.062 78 HA THR 9 HA THR 9 6.881 -14.020 4.704 79 HB THR 9 HB THR 9 7.970 -12.863 7.285 80 HG1 THR 9 HG1 THR 9 9.815 -13.579 6.623 81 1HG2 THR 9 HG23 THR 9 6.838 -15.550 6.526 82 2HG2 THR 9 HG22 THR 9 7.969 -15.378 7.867 83 3HG2 THR 9 HG21 THR 9 6.425 -14.529 7.903 84 H ALA 10 HN ALA 10 6.413 -11.135 6.721 85 HA ALA 10 HA ALA 10 3.796 -11.927 7.640 86 1HB ALA 10 HB3 ALA 10 5.370 -9.359 7.628 87 2HB ALA 10 HB2 ALA 10 3.658 -9.318 8.049 88 3HB ALA 10 HB1 ALA 10 4.779 -10.291 9.001 89 H PHE 11 HN PHE 11 5.005 -10.245 4.809 90 HA PHE 11 HA PHE 11 2.594 -9.041 3.876 91 1HB PHE 11 HB2 PHE 11 4.956 -8.784 2.914 92 2HB PHE 11 HB1 PHE 11 4.728 -10.344 2.151 93 HD1 PHE 11 HD1 PHE 11 2.879 -7.101 2.540 94 HD2 PHE 11 HD2 PHE 11 3.938 -10.364 -0.046 95 HE1 PHE 11 HE1 PHE 11 1.696 -6.001 0.659 96 HE2 PHE 11 HE2 PHE 11 2.752 -9.268 -1.922 97 HZ PHE 11 HZ PHE 11 1.629 -7.088 -1.569 98 H GLN 12 HN GLN 12 3.926 -12.287 3.432 99 HA GLN 12 HA GLN 12 1.864 -13.241 1.662 100 1HB GLN 12 HB2 GLN 12 3.668 -14.726 3.622 101 2HB GLN 12 HB1 GLN 12 2.711 -15.491 2.352 102 1HG GLN 12 HG2 GLN 12 4.829 -13.376 1.860 103 2HG GLN 12 HG1 GLN 12 5.088 -15.114 1.670 104 1HE2 GLN 12 HE22 GLN 12 2.855 -15.312 -1.206 105 2HE2 GLN 12 HE21 GLN 12 3.242 -16.177 0.203 106 H GLU 13 HN GLU 13 2.309 -13.325 5.171 107 HA GLU 13 HA GLU 13 -0.050 -14.836 5.786 108 1HB GLU 13 HB2 GLU 13 1.764 -12.991 7.326 109 2HB GLU 13 HB1 GLU 13 0.299 -13.595 8.083 110 1HG GLU 13 HG2 GLU 13 2.233 -15.043 8.593 111 2HG GLU 13 HG1 GLU 13 1.025 -15.913 7.650 112 H ALA 14 HN ALA 14 0.520 -11.338 5.510 113 HA ALA 14 HA ALA 14 -2.095 -10.583 6.422 114 1HB ALA 14 HB2 ALA 14 -0.184 -9.117 4.580 115 2HB ALA 14 HB1 ALA 14 -1.589 -8.397 5.362 116 3HB ALA 14 HB3 ALA 14 -0.238 -8.976 6.337 117 H LEU 15 HN LEU 15 -0.784 -11.327 3.191 118 HA LEU 15 HA LEU 15 -3.110 -10.568 1.721 119 1HB LEU 15 HB2 LEU 15 -1.006 -12.674 1.163 120 2HB LEU 15 HB1 LEU 15 -2.269 -12.241 0.014 121 HG LEU 15 HG LEU 15 -0.380 -10.200 1.208 122 1HD1 LEU 15 HD13 LEU 15 -0.072 -11.964 -1.219 123 2HD1 LEU 15 HD12 LEU 15 0.717 -10.391 -1.133 124 3HD1 LEU 15 HD11 LEU 15 1.096 -11.633 0.059 125 1HD2 LEU 15 HD22 LEU 15 -2.364 -10.213 -1.071 126 2HD2 LEU 15 HD21 LEU 15 -2.218 -9.064 0.252 127 3HD2 LEU 15 HD23 LEU 15 -1.030 -9.061 -1.044 128 H ASP 16 HN ASP 16 -2.172 -13.558 3.329 129 HA ASP 16 HA ASP 16 -4.454 -15.072 2.471 130 1HB ASP 16 HB2 ASP 16 -2.244 -15.981 3.348 131 2HB ASP 16 HB1 ASP 16 -2.834 -15.586 4.969 132 H ALA 17 HN ALA 17 -3.791 -13.019 5.263 133 HA ALA 17 HA ALA 17 -6.134 -13.757 6.758 134 1HB ALA 17 HB1 ALA 17 -4.346 -11.322 6.790 135 2HB ALA 17 HB3 ALA 17 -5.725 -11.489 7.877 136 3HB ALA 17 HB2 ALA 17 -4.396 -12.647 7.954 137 H ALA 18 HN ALA 18 -5.509 -11.299 4.294 138 HA ALA 18 HA ALA 18 -7.971 -9.864 4.564 139 1HB ALA 18 HB3 ALA 18 -6.104 -10.303 2.230 140 2HB ALA 18 HB2 ALA 18 -7.528 -9.265 2.123 141 3HB ALA 18 HB1 ALA 18 -6.231 -8.873 3.257 142 H GLY 19 HN GLY 19 -7.114 -12.825 2.853 143 1HA GLY 19 HA2 GLY 19 -8.521 -14.463 1.925 144 2HA GLY 19 HA1 GLY 19 -9.869 -13.653 2.730 145 H ASP 20 HN ASP 20 -11.375 -13.140 1.214 146 HA ASP 20 HA ASP 20 -10.534 -12.512 -1.547 147 1HB ASP 20 HB2 ASP 20 -13.298 -12.703 -0.311 148 2HB ASP 20 HB1 ASP 20 -12.942 -12.545 -2.032 149 H LYS 21 HN LYS 21 -10.750 -10.696 1.198 150 HA LYS 21 HA LYS 21 -12.249 -8.413 0.200 151 1HB LYS 21 HB2 LYS 21 -10.258 -8.688 2.470 152 2HB LYS 21 HB1 LYS 21 -11.215 -7.238 2.155 153 1HG LYS 21 HG2 LYS 21 -13.265 -8.850 2.244 154 2HG LYS 21 HG1 LYS 21 -12.155 -9.963 3.042 155 1HD LYS 21 HD2 LYS 21 -11.608 -8.138 4.677 156 2HD LYS 21 HD1 LYS 21 -12.882 -7.166 3.942 157 1HE LYS 21 HE2 LYS 21 -13.328 -9.930 5.089 158 2HE LYS 21 HE1 LYS 21 -13.612 -8.441 5.986 159 1HZ LYS 21 HZ2 LYS 21 -14.901 -9.150 3.403 160 2HZ LYS 21 HZ1 LYS 21 -15.633 -9.298 4.928 161 3HZ LYS 21 HZ3 LYS 21 -15.216 -7.764 4.337 162 H LEU 22 HN LEU 22 -11.381 -6.393 -0.558 163 HA LEU 22 HA LEU 22 -9.151 -6.581 -2.301 164 1HB LEU 22 HB2 LEU 22 -11.154 -4.725 -1.840 165 2HB LEU 22 HB1 LEU 22 -9.753 -3.883 -1.206 166 HG LEU 22 HG LEU 22 -10.102 -4.954 -4.012 167 1HD1 LEU 22 HD13 LEU 22 -10.528 -2.336 -2.721 168 2HD1 LEU 22 HD12 LEU 22 -9.414 -2.226 -4.079 169 3HD1 LEU 22 HD11 LEU 22 -11.024 -2.897 -4.314 170 1HD2 LEU 22 HD22 LEU 22 -7.681 -3.836 -2.586 171 2HD2 LEU 22 HD21 LEU 22 -7.788 -5.294 -3.575 172 3HD2 LEU 22 HD23 LEU 22 -7.853 -3.710 -4.333 173 H VAL 23 HN VAL 23 -6.999 -5.587 -2.013 174 HA VAL 23 HA VAL 23 -6.196 -5.000 0.788 175 HB VAL 23 HB VAL 23 -4.825 -7.020 -1.017 176 1HG1 VAL 23 HG11 VAL 23 -4.103 -5.778 1.640 177 2HG1 VAL 23 HG13 VAL 23 -3.463 -7.347 1.158 178 3HG1 VAL 23 HG12 VAL 23 -3.114 -5.917 0.188 179 1HG2 VAL 23 HG22 VAL 23 -6.408 -7.297 1.547 180 2HG2 VAL 23 HG21 VAL 23 -6.771 -8.027 -0.017 181 3HG2 VAL 23 HG23 VAL 23 -5.367 -8.565 0.903 182 H VAL 24 HN VAL 24 -5.392 -2.941 0.516 183 HA VAL 24 HA VAL 24 -3.879 -2.322 -1.974 184 HB VAL 24 HB VAL 24 -4.638 -0.413 0.262 185 1HG1 VAL 24 HG13 VAL 24 -2.854 0.241 -1.401 186 2HG1 VAL 24 HG12 VAL 24 -4.066 0.085 -2.673 187 3HG1 VAL 24 HG11 VAL 24 -4.268 1.296 -1.408 188 1HG2 VAL 24 HG22 VAL 24 -6.199 -1.304 -2.175 189 2HG2 VAL 24 HG21 VAL 24 -6.730 -1.274 -0.493 190 3HG2 VAL 24 HG23 VAL 24 -6.504 0.238 -1.373 191 H VAL 25 HN VAL 25 -1.657 -1.760 -1.877 192 HA VAL 25 HA VAL 25 -0.344 -2.022 0.818 193 HB VAL 25 HB VAL 25 0.818 -2.914 -1.836 194 1HG1 VAL 25 HG12 VAL 25 2.390 -2.257 0.029 195 2HG1 VAL 25 HG11 VAL 25 1.674 -3.553 0.991 196 3HG1 VAL 25 HG13 VAL 25 2.538 -3.933 -0.498 197 1HG2 VAL 25 HG22 VAL 25 -1.167 -4.286 -1.116 198 2HG2 VAL 25 HG21 VAL 25 0.346 -5.190 -1.153 199 3HG2 VAL 25 HG23 VAL 25 -0.310 -4.635 0.384 200 H ASP 26 HN ASP 26 0.756 -0.229 1.382 201 HA ASP 26 HA ASP 26 1.458 1.756 -0.757 202 1HB ASP 26 HB2 ASP 26 0.081 2.597 1.116 203 2HB ASP 26 HB1 ASP 26 1.320 2.095 2.267 204 H PHE 27 HN PHE 27 3.539 1.698 -1.426 205 HA PHE 27 HA PHE 27 5.653 0.572 0.342 206 1HB PHE 27 HB2 PHE 27 5.570 1.213 -2.618 207 2HB PHE 27 HB1 PHE 27 7.070 0.803 -1.777 208 HD1 PHE 27 HD1 PHE 27 7.291 -1.418 -0.630 209 HD2 PHE 27 HD2 PHE 27 3.978 -0.475 -3.194 210 HE1 PHE 27 HE1 PHE 27 6.788 -3.836 -0.868 211 HE2 PHE 27 HE2 PHE 27 3.478 -2.888 -3.411 212 HZ PHE 27 HZ PHE 27 4.875 -4.568 -2.259 213 H SER 28 HN SER 28 4.368 3.348 0.544 214 HA SER 28 HA SER 28 6.219 5.304 -0.307 215 1HB SER 28 HB2 SER 28 4.564 5.346 2.225 216 2HB SER 28 HB1 SER 28 5.331 6.737 1.473 217 HG SER 28 HG SER 28 2.981 6.101 0.982 218 H ALA 29 HN ALA 29 7.952 6.316 0.687 219 HA ALA 29 HA ALA 29 9.484 4.600 2.534 220 1HB ALA 29 HB1 ALA 29 10.069 6.947 0.760 221 2HB ALA 29 HB3 ALA 29 11.093 6.751 2.184 222 3HB ALA 29 HB2 ALA 29 10.993 5.462 0.984 223 H THR 30 HN THR 30 9.379 4.935 4.720 224 HA THR 30 HA THR 30 7.813 7.107 5.792 225 HB THR 30 HB THR 30 8.095 4.977 7.029 226 HG1 THR 30 HG1 THR 30 9.345 7.068 8.463 227 1HG2 THR 30 HG23 THR 30 10.535 4.735 6.293 228 2HG2 THR 30 HG22 THR 30 10.930 5.866 7.588 229 3HG2 THR 30 HG21 THR 30 10.182 4.314 7.968 230 H TRP 31 HN TRP 31 11.228 6.589 5.140 231 HA TRP 31 HA TRP 31 12.189 8.871 6.647 232 1HB TRP 31 HB2 TRP 31 14.272 8.553 5.428 233 2HB TRP 31 HB1 TRP 31 13.649 6.992 5.955 234 HD1 TRP 31 HD1 TRP 31 13.051 5.267 4.183 235 HE1 TRP 31 HE1 TRP 31 13.245 5.161 1.618 236 HE3 TRP 31 HE3 TRP 31 13.956 10.184 3.177 237 HZ2 TRP 31 HZ2 TRP 31 13.671 6.938 -0.573 238 HZ3 TRP 31 HZ3 TRP 31 14.220 10.954 0.835 239 HH2 TRP 31 HH2 TRP 31 14.082 9.337 -1.034 240 H CYS 32 HN CYS 32 10.763 8.508 3.477 241 HA CYS 32 HA CYS 32 11.745 11.147 2.596 242 1HB CYS 32 HB2 CYS 32 11.279 9.095 1.065 243 2HB CYS 32 HB1 CYS 32 9.583 9.524 1.236 244 H GLY 33 HN GLY 33 10.795 12.950 3.284 245 1HA GLY 33 HA2 GLY 33 8.476 13.048 4.908 246 2HA GLY 33 HA1 GLY 33 9.196 14.438 4.104 247 HA PRO 34 HA PRO 34 6.105 14.757 0.967 248 1HB PRO 34 HB2 PRO 34 7.599 13.193 -1.088 249 2HB PRO 34 HB1 PRO 34 6.983 14.852 -1.166 250 1HG PRO 34 HG2 PRO 34 9.632 14.283 -0.884 251 2HG PRO 34 HG1 PRO 34 8.893 15.748 -0.218 252 1HD PRO 34 HD2 PRO 34 9.851 13.330 1.212 253 2HD PRO 34 HD1 PRO 34 9.643 14.983 1.831 254 H ALA 35 HN ALA 35 7.550 11.515 0.975 255 HA ALA 35 HA ALA 35 5.152 10.214 -0.017 256 1HB ALA 35 HB1 ALA 35 7.675 9.462 -0.071 257 2HB ALA 35 HB3 ALA 35 7.306 8.765 1.506 258 3HB ALA 35 HB2 ALA 35 6.409 8.250 0.075 259 H LYS 36 HN LYS 36 6.753 10.216 3.206 260 HA LYS 36 HA LYS 36 4.665 8.811 4.540 261 1HB LYS 36 HB2 LYS 36 6.970 9.309 5.473 262 2HB LYS 36 HB1 LYS 36 6.403 10.948 5.792 263 1HG LYS 36 HG2 LYS 36 4.508 9.987 7.121 264 2HG LYS 36 HG1 LYS 36 5.210 8.386 6.892 265 1HD LYS 36 HD2 LYS 36 7.301 9.178 7.995 266 2HD LYS 36 HD1 LYS 36 6.521 10.732 8.301 267 1HE LYS 36 HE2 LYS 36 4.713 9.522 9.542 268 2HE LYS 36 HE1 LYS 36 5.620 8.025 9.330 269 1HZ LYS 36 HZ1 LYS 36 7.495 9.087 10.481 270 2HZ LYS 36 HZ3 LYS 36 6.535 10.458 10.763 271 3HZ LYS 36 HZ2 LYS 36 6.112 8.968 11.463 272 H MET 37 HN MET 37 5.101 12.242 3.856 273 HA MET 37 HA MET 37 3.049 13.291 5.502 274 1HB MET 37 HB2 MET 37 4.766 14.618 4.246 275 2HB MET 37 HB1 MET 37 3.869 14.302 2.764 276 1HG MET 37 HG2 MET 37 2.538 15.555 5.171 277 2HG MET 37 HG1 MET 37 3.396 16.530 3.982 278 1HE MET 37 HE3 MET 37 0.967 17.395 4.545 279 2HE MET 37 HE2 MET 37 1.199 17.946 2.889 280 3HE MET 37 HE1 MET 37 -0.325 17.199 3.354 281 H ILE 38 HN ILE 38 2.868 11.657 2.402 282 HA ILE 38 HA ILE 38 0.069 12.409 1.973 283 HB ILE 38 HB ILE 38 1.829 10.388 0.561 284 1HG1 ILE 38 HG12 ILE 38 0.985 13.103 -0.467 285 2HG1 ILE 38 HG11 ILE 38 2.411 12.935 0.555 286 1HG2 ILE 38 HG23 ILE 38 -0.995 11.335 0.127 287 2HG2 ILE 38 HG22 ILE 38 -0.004 10.968 -1.284 288 3HG2 ILE 38 HG21 ILE 38 -0.311 9.722 -0.077 289 1HD1 ILE 38 HD12 ILE 38 3.312 11.246 -1.018 290 2HD1 ILE 38 HD11 ILE 38 1.918 11.512 -2.065 291 3HD1 ILE 38 HD13 ILE 38 3.071 12.817 -1.775 292 H LYS 39 HN LYS 39 1.446 10.247 4.105 293 HA LYS 39 HA LYS 39 -0.186 7.957 3.573 294 1HB LYS 39 HB2 LYS 39 0.561 6.970 5.532 295 2HB LYS 39 HB1 LYS 39 1.914 7.958 5.017 296 1HG LYS 39 HG2 LYS 39 1.342 9.671 6.671 297 2HG LYS 39 HG1 LYS 39 -0.095 8.785 7.157 298 1HD LYS 39 HD2 LYS 39 2.802 7.983 7.529 299 2HD LYS 39 HD1 LYS 39 1.620 8.360 8.781 300 1HE LYS 39 HE2 LYS 39 0.274 6.357 7.737 301 2HE LYS 39 HE1 LYS 39 1.848 5.888 7.089 302 1HZ LYS 39 HZ1 LYS 39 1.593 6.595 9.927 303 2HZ LYS 39 HZ3 LYS 39 1.108 5.056 9.407 304 3HZ LYS 39 HZ2 LYS 39 2.713 5.568 9.169 305 HA PRO 40 HA PRO 40 -3.048 9.892 7.095 306 1HB PRO 40 HB2 PRO 40 -3.578 12.412 5.590 307 2HB PRO 40 HB1 PRO 40 -3.431 12.155 7.340 308 1HG PRO 40 HG2 PRO 40 -1.486 13.380 5.939 309 2HG PRO 40 HG1 PRO 40 -1.113 12.307 7.299 310 1HD PRO 40 HD2 PRO 40 -0.855 11.789 4.380 311 2HD PRO 40 HD1 PRO 40 0.161 11.193 5.699 312 H PHE 41 HN PHE 41 -3.399 10.631 3.606 313 HA PHE 41 HA PHE 41 -6.238 10.062 3.615 314 1HB PHE 41 HB2 PHE 41 -4.110 10.249 1.480 315 2HB PHE 41 HB1 PHE 41 -5.736 9.703 1.089 316 HD1 PHE 41 HD2 PHE 41 -3.857 12.519 2.695 317 HD2 PHE 41 HD1 PHE 41 -7.478 11.246 0.767 318 HE1 PHE 41 HE2 PHE 41 -4.656 14.870 2.639 319 HE2 PHE 41 HE1 PHE 41 -8.274 13.595 0.713 320 HZ PHE 41 HZ PHE 41 -6.865 15.408 1.649 321 H PHE 42 HN PHE 42 -3.343 8.161 2.793 322 HA PHE 42 HA PHE 42 -4.665 5.740 2.079 323 1HB PHE 42 HB2 PHE 42 -2.279 6.211 1.655 324 2HB PHE 42 HB1 PHE 42 -1.961 6.189 3.394 325 HD1 PHE 42 HD1 PHE 42 -3.150 4.111 0.542 326 HD2 PHE 42 HD2 PHE 42 -1.655 4.143 4.573 327 HE1 PHE 42 HE1 PHE 42 -2.933 1.641 0.484 328 HE2 PHE 42 HE2 PHE 42 -1.436 1.675 4.510 329 HZ PHE 42 HZ PHE 42 -2.080 0.423 2.467 330 H HIS 43 HN HIS 43 -3.231 6.716 5.206 331 HA HIS 43 HA HIS 43 -4.222 4.444 6.673 332 1HB HIS 43 HB2 HIS 43 -2.262 5.740 7.404 333 2HB HIS 43 HB1 HIS 43 -3.270 7.168 7.624 334 HD1 HIS 43 HD1 HIS 43 -2.340 3.924 9.241 335 HD2 HIS 43 HD2 HIS 43 -5.015 7.050 9.883 336 HE1 HIS 43 HE1 HIS 43 -3.337 3.555 11.545 337 H SER 44 HN SER 44 -5.406 7.807 6.361 338 HA SER 44 HA SER 44 -7.559 7.590 8.197 339 1HB SER 44 HB2 SER 44 -7.447 9.295 5.698 340 2HB SER 44 HB1 SER 44 -8.586 9.492 7.024 341 HG SER 44 HG SER 44 -6.299 10.628 6.850 342 H LEU 45 HN LEU 45 -7.444 6.823 4.724 343 HA LEU 45 HA LEU 45 -10.242 6.385 4.398 344 1HB LEU 45 HB2 LEU 45 -7.867 5.283 2.918 345 2HB LEU 45 HB1 LEU 45 -9.522 4.968 2.420 346 HG LEU 45 HG LEU 45 -8.569 7.805 2.879 347 1HD1 LEU 45 HD13 LEU 45 -7.027 6.685 1.263 348 2HD1 LEU 45 HD12 LEU 45 -8.420 6.271 0.267 349 3HD1 LEU 45 HD11 LEU 45 -7.985 7.962 0.516 350 1HD2 LEU 45 HD23 LEU 45 -10.834 6.489 1.352 351 2HD2 LEU 45 HD22 LEU 45 -10.935 7.703 2.627 352 3HD2 LEU 45 HD21 LEU 45 -10.341 8.148 1.030 353 H SER 46 HN SER 46 -7.849 4.430 5.938 354 HA SER 46 HA SER 46 -8.795 1.838 5.524 355 1HB SER 46 HB2 SER 46 -7.865 3.036 8.162 356 2HB SER 46 HB1 SER 46 -7.939 1.319 7.791 357 HG SER 46 HG SER 46 -6.607 2.745 5.886 358 H GLU 47 HN GLU 47 -10.122 4.350 7.688 359 HA GLU 47 HA GLU 47 -12.281 2.539 8.554 360 1HB GLU 47 HB2 GLU 47 -11.758 5.488 9.064 361 2HB GLU 47 HB1 GLU 47 -13.103 4.584 9.761 362 1HG GLU 47 HG2 GLU 47 -10.199 3.792 10.091 363 2HG GLU 47 HG1 GLU 47 -11.095 4.747 11.275 364 H LYS 48 HN LYS 48 -11.683 4.640 5.906 365 HA LYS 48 HA LYS 48 -14.462 5.395 5.463 366 1HB LYS 48 HB2 LYS 48 -12.533 6.722 4.569 367 2HB LYS 48 HB1 LYS 48 -12.137 5.374 3.506 368 1HG LYS 48 HG2 LYS 48 -13.410 6.981 2.234 369 2HG LYS 48 HG1 LYS 48 -14.429 5.567 2.502 370 1HD LYS 48 HD2 LYS 48 -15.765 6.670 4.093 371 2HD LYS 48 HD1 LYS 48 -14.538 7.890 4.427 372 1HE LYS 48 HE2 LYS 48 -16.058 7.620 1.818 373 2HE LYS 48 HE1 LYS 48 -16.435 8.783 3.089 374 1HZ LYS 48 HZ3 LYS 48 -14.099 9.589 2.852 375 2HZ LYS 48 HZ2 LYS 48 -13.962 8.618 1.465 376 3HZ LYS 48 HZ1 LYS 48 -15.092 9.886 1.509 377 H TYR 49 HN TYR 49 -12.250 2.886 4.430 378 HA TYR 49 HA TYR 49 -14.559 1.349 3.266 379 1HB TYR 49 HB2 TYR 49 -11.672 1.414 2.297 380 2HB TYR 49 HB1 TYR 49 -12.916 0.327 1.683 381 HD1 TYR 49 HD2 TYR 49 -15.037 1.362 0.694 382 HD2 TYR 49 HD1 TYR 49 -11.442 3.608 1.399 383 HE1 TYR 49 HE2 TYR 49 -15.821 3.107 -0.880 384 HE2 TYR 49 HE1 TYR 49 -12.227 5.357 -0.178 385 HH TYR 49 HH TYR 49 -14.170 5.119 -2.378 386 H SER 50 HN SER 50 -14.481 0.802 5.691 387 HA SER 50 HA SER 50 -12.317 -0.711 6.767 388 1HB SER 50 HB2 SER 50 -13.823 -1.260 8.556 389 2HB SER 50 HB1 SER 50 -14.189 0.381 8.062 390 HG SER 50 HG SER 50 -15.652 -1.140 6.538 391 H ASN 51 HN ASN 51 -14.433 -1.444 4.288 392 HA ASN 51 HA ASN 51 -14.432 -4.366 4.776 393 1HB ASN 51 HB2 ASN 51 -16.434 -3.121 3.793 394 2HB ASN 51 HB1 ASN 51 -15.461 -2.880 2.344 395 1HD2 ASN 51 HD22 ASN 51 -16.094 -6.125 1.138 396 2HD2 ASN 51 HD21 ASN 51 -15.530 -4.557 0.820 397 H VAL 52 HN VAL 52 -12.190 -2.283 3.933 398 HA VAL 52 HA VAL 52 -10.904 -4.096 1.944 399 HB VAL 52 HB VAL 52 -10.990 -1.066 1.984 400 1HG1 VAL 52 HG11 VAL 52 -8.971 -2.941 0.763 401 2HG1 VAL 52 HG13 VAL 52 -9.365 -1.426 -0.055 402 3HG1 VAL 52 HG12 VAL 52 -8.710 -1.404 1.581 403 1HG2 VAL 52 HG21 VAL 52 -11.686 -3.205 -0.050 404 2HG2 VAL 52 HG23 VAL 52 -12.779 -2.046 0.707 405 3HG2 VAL 52 HG22 VAL 52 -11.571 -1.493 -0.451 406 H ILE 53 HN ILE 53 -8.729 -4.545 2.410 407 HA ILE 53 HA ILE 53 -7.808 -3.646 5.112 408 HB ILE 53 HB ILE 53 -6.664 -5.802 3.316 409 1HG1 ILE 53 HG12 ILE 53 -8.956 -6.410 3.736 410 2HG1 ILE 53 HG11 ILE 53 -7.957 -7.365 4.829 411 1HG2 ILE 53 HG21 ILE 53 -5.320 -4.831 5.281 412 2HG2 ILE 53 HG23 ILE 53 -6.507 -5.608 6.323 413 3HG2 ILE 53 HG22 ILE 53 -5.519 -6.579 5.232 414 1HD1 ILE 53 HD12 ILE 53 -8.359 -5.445 6.533 415 2HD1 ILE 53 HD11 ILE 53 -9.682 -4.975 5.466 416 3HD1 ILE 53 HD13 ILE 53 -9.687 -6.568 6.224 417 H PHE 54 HN PHE 54 -6.329 -2.025 5.200 418 HA PHE 54 HA PHE 54 -4.702 -1.420 2.762 419 1HB PHE 54 HB2 PHE 54 -5.259 0.192 5.268 420 2HB PHE 54 HB1 PHE 54 -4.191 0.713 3.970 421 HD1 PHE 54 HD1 PHE 54 -7.701 -0.440 4.604 422 HD2 PHE 54 HD2 PHE 54 -5.075 1.874 2.127 423 HE1 PHE 54 HE1 PHE 54 -9.651 0.472 3.372 424 HE2 PHE 54 HE2 PHE 54 -7.016 2.776 0.889 425 HZ PHE 54 HZ PHE 54 -9.308 2.074 1.513 426 H LEU 55 HN LEU 55 -2.561 -1.951 2.757 427 HA LEU 55 HA LEU 55 -1.240 -2.655 5.360 428 1HB LEU 55 HB2 LEU 55 -0.660 -3.560 2.523 429 2HB LEU 55 HB1 LEU 55 0.488 -3.793 3.834 430 HG LEU 55 HG LEU 55 -1.013 -5.238 5.003 431 1HD1 LEU 55 HD12 LEU 55 -3.063 -4.211 3.052 432 2HD1 LEU 55 HD11 LEU 55 -3.293 -5.752 3.874 433 3HD1 LEU 55 HD13 LEU 55 -3.130 -4.275 4.814 434 1HD2 LEU 55 HD23 LEU 55 0.203 -6.145 2.988 435 2HD2 LEU 55 HD22 LEU 55 -1.253 -7.044 3.416 436 3HD2 LEU 55 HD21 LEU 55 -1.282 -5.915 2.063 437 H GLU 56 HN GLU 56 0.663 -1.618 5.893 438 HA GLU 56 HA GLU 56 1.566 0.564 4.043 439 1HB GLU 56 HB2 GLU 56 0.736 1.247 6.352 440 2HB GLU 56 HB1 GLU 56 2.105 0.353 7.020 441 1HG GLU 56 HG2 GLU 56 3.649 1.722 5.643 442 2HG GLU 56 HG1 GLU 56 2.270 2.657 5.055 443 H VAL 57 HN VAL 57 3.612 0.327 3.234 444 HA VAL 57 HA VAL 57 5.377 -1.755 4.495 445 HB VAL 57 HB VAL 57 4.977 -1.249 1.539 446 1HG1 VAL 57 HG13 VAL 57 6.579 -3.302 3.079 447 2HG1 VAL 57 HG12 VAL 57 6.339 -3.317 1.337 448 3HG1 VAL 57 HG11 VAL 57 7.241 -2.004 2.087 449 1HG2 VAL 57 HG23 VAL 57 4.003 -3.422 3.399 450 2HG2 VAL 57 HG22 VAL 57 3.016 -2.322 2.440 451 3HG2 VAL 57 HG21 VAL 57 3.979 -3.568 1.643 452 H ASP 58 HN ASP 58 7.410 -1.108 4.890 453 HA ASP 58 HA ASP 58 8.277 1.606 4.016 454 1HB ASP 58 HB2 ASP 58 8.399 0.809 6.435 455 2HB ASP 58 HB1 ASP 58 9.650 -0.316 5.897 456 H VAL 59 HN VAL 59 9.573 1.689 2.191 457 HA VAL 59 HA VAL 59 10.694 -0.728 1.056 458 HB VAL 59 HB VAL 59 11.918 0.845 -0.464 459 1HG1 VAL 59 HG12 VAL 59 8.982 1.370 0.054 460 2HG1 VAL 59 HG11 VAL 59 9.831 1.896 -1.401 461 3HG1 VAL 59 HG13 VAL 59 9.664 0.175 -1.048 462 1HG2 VAL 59 HG21 VAL 59 12.299 2.652 1.198 463 2HG2 VAL 59 HG23 VAL 59 11.494 3.259 -0.250 464 3HG2 VAL 59 HG22 VAL 59 10.566 2.977 1.222 465 H ASP 60 HN ASP 60 11.700 1.469 3.513 466 HA ASP 60 HA ASP 60 14.550 0.675 3.293 467 1HB ASP 60 HB2 ASP 60 13.000 2.649 4.947 468 2HB ASP 60 HB1 ASP 60 14.630 2.201 5.407 469 H ASP 61 HN ASP 61 11.888 0.308 5.681 470 HA ASP 61 HA ASP 61 13.635 -1.548 7.230 471 1HB ASP 61 HB2 ASP 61 10.809 -0.594 7.815 472 2HB ASP 61 HB1 ASP 61 11.830 -1.542 8.888 473 H ALA 62 HN ALA 62 11.251 -1.557 4.811 474 HA ALA 62 HA ALA 62 10.829 -4.503 5.156 475 1HB ALA 62 HB3 ALA 62 8.833 -2.677 5.393 476 2HB ALA 62 HB2 ALA 62 8.790 -2.915 3.649 477 3HB ALA 62 HB1 ALA 62 8.568 -4.289 4.732 478 H GLN 63 HN GLN 63 12.966 -3.284 3.763 479 HA GLN 63 HA GLN 63 12.524 -2.874 0.999 480 1HB GLN 63 HB2 GLN 63 14.916 -3.232 0.738 481 2HB GLN 63 HB1 GLN 63 14.630 -2.331 2.229 482 1HG GLN 63 HG2 GLN 63 14.669 -4.552 3.450 483 2HG GLN 63 HG1 GLN 63 15.244 -5.280 1.947 484 1HE2 GLN 63 HE22 GLN 63 18.544 -4.179 2.415 485 2HE2 GLN 63 HE21 GLN 63 17.463 -5.177 1.571 486 H ASP 64 HN ASP 64 12.715 -5.876 2.835 487 HA ASP 64 HA ASP 64 13.284 -7.608 0.631 488 1HB ASP 64 HB2 ASP 64 12.149 -9.368 2.059 489 2HB ASP 64 HB1 ASP 64 13.461 -8.508 2.853 490 H VAL 65 HN VAL 65 10.277 -6.259 1.919 491 HA VAL 65 HA VAL 65 8.520 -7.762 0.195 492 HB VAL 65 HB VAL 65 7.949 -4.996 1.298 493 1HG1 VAL 65 HG13 VAL 65 6.302 -6.104 -0.209 494 2HG1 VAL 65 HG12 VAL 65 6.212 -7.452 0.927 495 3HG1 VAL 65 HG11 VAL 65 5.671 -5.846 1.418 496 1HG2 VAL 65 HG22 VAL 65 8.127 -7.623 2.760 497 2HG2 VAL 65 HG21 VAL 65 8.807 -6.065 3.216 498 3HG2 VAL 65 HG23 VAL 65 7.071 -6.338 3.327 499 H ALA 66 HN ALA 66 9.951 -4.513 0.049 500 HA ALA 66 HA ALA 66 8.710 -3.786 -2.439 501 1HB ALA 66 HB2 ALA 66 9.832 -2.292 -0.606 502 2HB ALA 66 HB1 ALA 66 11.318 -2.599 -1.509 503 3HB ALA 66 HB3 ALA 66 9.950 -1.810 -2.297 504 H SER 67 HN SER 67 11.875 -5.179 -1.633 505 HA SER 67 HA SER 67 12.979 -5.029 -4.253 506 1HB SER 67 HB2 SER 67 14.499 -6.813 -3.509 507 2HB SER 67 HB1 SER 67 14.306 -5.600 -2.246 508 HG SER 67 HG SER 67 14.020 -7.562 -1.278 509 H GLU 68 HN GLU 68 10.775 -7.338 -2.757 510 HA GLU 68 HA GLU 68 10.893 -9.370 -4.751 511 1HB GLU 68 HB2 GLU 68 9.734 -9.572 -2.526 512 2HB GLU 68 HB1 GLU 68 8.461 -8.521 -3.143 513 1HG GLU 68 HG2 GLU 68 8.146 -10.178 -5.035 514 2HG GLU 68 HG1 GLU 68 9.242 -11.259 -4.175 515 H ALA 69 HN ALA 69 9.013 -6.375 -4.523 516 HA ALA 69 HA ALA 69 7.703 -6.906 -7.110 517 1HB ALA 69 HB1 ALA 69 7.527 -4.671 -5.092 518 2HB ALA 69 HB3 ALA 69 6.676 -4.626 -6.638 519 3HB ALA 69 HB2 ALA 69 6.309 -5.892 -5.463 520 H GLU 70 HN GLU 70 10.684 -5.715 -6.239 521 HA GLU 70 HA GLU 70 12.258 -4.381 -7.344 522 1HB GLU 70 HB2 GLU 70 10.471 -4.904 -9.740 523 2HB GLU 70 HB1 GLU 70 12.113 -4.277 -9.805 524 1HG GLU 70 HG2 GLU 70 11.343 -6.962 -8.641 525 2HG GLU 70 HG1 GLU 70 12.011 -6.708 -10.253 526 H VAL 71 HN VAL 71 10.495 -2.842 -5.916 527 HA VAL 71 HA VAL 71 8.995 -0.962 -7.450 528 HB VAL 71 HB VAL 71 10.435 -0.391 -4.841 529 1HG1 VAL 71 HG11 VAL 71 7.993 0.764 -6.230 530 2HG1 VAL 71 HG13 VAL 71 8.395 1.100 -4.548 531 3HG1 VAL 71 HG12 VAL 71 9.495 1.600 -5.837 532 1HG2 VAL 71 HG23 VAL 71 7.776 -1.756 -5.400 533 2HG2 VAL 71 HG22 VAL 71 9.168 -2.445 -4.567 534 3HG2 VAL 71 HG21 VAL 71 8.246 -1.145 -3.815 535 H LYS 72 HN LYS 72 9.656 0.677 -8.732 536 HA LYS 72 HA LYS 72 12.553 1.329 -8.790 537 1HB LYS 72 HB2 LYS 72 10.353 1.876 -10.794 538 2HB LYS 72 HB1 LYS 72 12.061 2.242 -11.034 539 1HG LYS 72 HG2 LYS 72 11.167 -0.575 -10.354 540 2HG LYS 72 HG1 LYS 72 11.134 0.003 -12.018 541 1HD LYS 72 HD2 LYS 72 13.579 0.622 -11.749 542 2HD LYS 72 HD1 LYS 72 13.550 -0.219 -10.199 543 1HE LYS 72 HE2 LYS 72 12.832 -2.290 -11.311 544 2HE LYS 72 HE1 LYS 72 12.816 -1.461 -12.867 545 1HZ LYS 72 HZ2 LYS 72 15.284 -0.912 -11.996 546 2HZ LYS 72 HZ1 LYS 72 15.052 -2.455 -11.319 547 3HZ LYS 72 HZ3 LYS 72 14.900 -2.232 -12.995 548 H ALA 73 HN ALA 73 9.618 2.616 -7.631 549 HA ALA 73 HA ALA 73 10.963 5.080 -6.881 550 1HB ALA 73 HB1 ALA 73 10.194 5.449 -9.294 551 2HB ALA 73 HB3 ALA 73 8.550 5.421 -8.655 552 3HB ALA 73 HB2 ALA 73 9.691 6.653 -8.109 553 H THR 74 HN THR 74 9.701 6.354 -5.400 554 HA THR 74 HA THR 74 7.217 5.046 -4.373 555 HB THR 74 HB THR 74 7.960 5.445 -2.086 556 HG1 THR 74 HG1 THR 74 10.115 6.737 -3.352 557 1HG2 THR 74 HG22 THR 74 10.075 4.176 -3.806 558 2HG2 THR 74 HG21 THR 74 10.117 4.137 -2.049 559 3HG2 THR 74 HG23 THR 74 8.787 3.371 -2.918 560 HA PRO 75 HA PRO 75 5.833 5.710 -2.543 561 1HB PRO 75 HB2 PRO 75 3.262 6.724 -2.617 562 2HB PRO 75 HB1 PRO 75 4.479 7.172 -1.414 563 1HG PRO 75 HG2 PRO 75 3.469 8.732 -3.731 564 2HG PRO 75 HG1 PRO 75 4.183 9.304 -2.214 565 1HD PRO 75 HD2 PRO 75 5.494 9.175 -4.733 566 2HD PRO 75 HD1 PRO 75 6.282 9.447 -3.152 567 H THR 76 HN THR 76 4.877 3.823 -3.238 568 HA THR 76 HA THR 76 3.442 3.872 -5.866 569 HB THR 76 HB THR 76 5.425 1.750 -4.977 570 HG1 THR 76 HG1 THR 76 6.342 2.610 -7.076 571 1HG2 THR 76 HG22 THR 76 3.680 2.051 -7.433 572 2HG2 THR 76 HG21 THR 76 5.026 0.917 -7.328 573 3HG2 THR 76 HG23 THR 76 3.640 0.741 -6.252 574 H PHE 77 HN PHE 77 1.544 2.893 -5.798 575 HA PHE 77 HA PHE 77 0.792 1.390 -3.327 576 1HB PHE 77 HB2 PHE 77 -0.945 2.807 -5.374 577 2HB PHE 77 HB1 PHE 77 -1.519 2.015 -3.902 578 HD1 PHE 77 HD1 PHE 77 -0.893 2.929 -1.657 579 HD2 PHE 77 HD2 PHE 77 0.138 4.931 -5.311 580 HE1 PHE 77 HE1 PHE 77 -0.422 5.008 -0.385 581 HE2 PHE 77 HE2 PHE 77 0.606 7.013 -4.047 582 HZ PHE 77 HZ PHE 77 0.328 7.057 -1.581 583 H GLN 78 HN GLN 78 0.288 -0.764 -3.556 584 HA GLN 78 HA GLN 78 -0.238 -1.793 -6.335 585 1HB GLN 78 HB2 GLN 78 1.301 -3.105 -4.085 586 2HB GLN 78 HB1 GLN 78 0.829 -3.920 -5.570 587 1HG GLN 78 HG2 GLN 78 2.054 -2.102 -6.838 588 2HG GLN 78 HG1 GLN 78 2.701 -1.555 -5.292 589 1HE2 GLN 78 HE22 GLN 78 5.312 -3.900 -5.571 590 2HE2 GLN 78 HE21 GLN 78 4.839 -2.314 -5.200 591 H PHE 79 HN PHE 79 -1.945 -3.151 -6.540 592 HA PHE 79 HA PHE 79 -3.639 -3.530 -4.091 593 1HB PHE 79 HB2 PHE 79 -4.344 -3.492 -7.040 594 2HB PHE 79 HB1 PHE 79 -5.489 -3.781 -5.725 595 HD1 PHE 79 HD2 PHE 79 -3.060 -1.315 -7.104 596 HD2 PHE 79 HD1 PHE 79 -6.338 -1.974 -4.417 597 HE1 PHE 79 HE2 PHE 79 -3.234 1.127 -6.713 598 HE2 PHE 79 HE1 PHE 79 -6.515 0.460 -4.025 599 HZ PHE 79 HZ PHE 79 -4.968 2.009 -5.167 600 H PHE 80 HN PHE 80 -4.176 -5.542 -3.440 601 HA PHE 80 HA PHE 80 -3.481 -7.846 -5.201 602 1HB PHE 80 HB2 PHE 80 -2.907 -7.462 -2.266 603 2HB PHE 80 HB1 PHE 80 -2.944 -9.060 -3.013 604 HD1 PHE 80 HD2 PHE 80 -1.182 -5.776 -2.954 605 HD2 PHE 80 HD1 PHE 80 -1.250 -9.776 -4.551 606 HE1 PHE 80 HE2 PHE 80 1.137 -5.497 -3.786 607 HE2 PHE 80 HE1 PHE 80 1.065 -9.483 -5.380 608 HZ PHE 80 HZ PHE 80 2.260 -7.345 -4.998 609 H LYS 81 HN LYS 81 -4.884 -9.641 -5.037 610 HA LYS 81 HA LYS 81 -7.263 -9.357 -3.272 611 1HB LYS 81 HB2 LYS 81 -7.663 -8.261 -5.576 612 2HB LYS 81 HB1 LYS 81 -7.554 -9.890 -6.244 613 1HG LYS 81 HG2 LYS 81 -9.340 -10.598 -4.626 614 2HG LYS 81 HG1 LYS 81 -9.525 -8.914 -4.161 615 1HD LYS 81 HD2 LYS 81 -9.737 -9.774 -7.048 616 2HD LYS 81 HD1 LYS 81 -11.128 -9.843 -5.969 617 1HE LYS 81 HE2 LYS 81 -10.752 -7.411 -5.438 618 2HE LYS 81 HE1 LYS 81 -9.507 -7.385 -6.687 619 1HZ LYS 81 HZ3 LYS 81 -12.133 -8.470 -7.376 620 2HZ LYS 81 HZ2 LYS 81 -11.984 -6.784 -7.220 621 3HZ LYS 81 HZ1 LYS 81 -11.023 -7.625 -8.342 622 H LYS 82 HN LYS 82 -7.437 -11.329 -2.314 623 HA LYS 82 HA LYS 82 -7.267 -13.642 -1.985 624 1HB LYS 82 HB2 LYS 82 -7.543 -13.701 -5.019 625 2HB LYS 82 HB1 LYS 82 -7.685 -15.098 -3.962 626 1HG LYS 82 HG2 LYS 82 -9.660 -14.261 -2.950 627 2HG LYS 82 HG1 LYS 82 -9.417 -12.649 -3.604 628 1HD LYS 82 HD2 LYS 82 -9.839 -13.450 -5.868 629 2HD LYS 82 HD1 LYS 82 -9.935 -15.115 -5.291 630 1HE LYS 82 HE2 LYS 82 -11.788 -12.933 -4.299 631 2HE LYS 82 HE1 LYS 82 -12.174 -13.955 -5.683 632 1HZ LYS 82 HZ1 LYS 82 -11.298 -15.270 -3.227 633 2HZ LYS 82 HZ3 LYS 82 -12.860 -14.613 -3.243 634 3HZ LYS 82 HZ2 LYS 82 -12.420 -15.785 -4.392 635 H GLY 83 HN GLY 83 -4.939 -11.922 -2.369 636 1HA GLY 83 HA2 GLY 83 -2.621 -12.258 -2.278 637 2HA GLY 83 HA1 GLY 83 -2.889 -13.969 -2.611 638 H GLN 84 HN GLN 84 -4.440 -11.813 -4.803 639 HA GLN 84 HA GLN 84 -2.317 -12.368 -6.846 640 1HB GLN 84 HB2 GLN 84 -5.270 -11.869 -7.313 641 2HB GLN 84 HB1 GLN 84 -4.078 -12.310 -8.529 642 1HG GLN 84 HG2 GLN 84 -4.791 -14.044 -6.150 643 2HG GLN 84 HG1 GLN 84 -5.469 -14.248 -7.763 644 1HE2 GLN 84 HE22 GLN 84 -1.535 -15.233 -7.120 645 2HE2 GLN 84 HE21 GLN 84 -2.310 -14.156 -6.062 646 H LYS 85 HN LYS 85 -1.366 -10.633 -7.832 647 HA LYS 85 HA LYS 85 -2.099 -7.901 -7.029 648 1HB LYS 85 HB2 LYS 85 0.263 -8.642 -7.444 649 2HB LYS 85 HB1 LYS 85 -0.145 -8.862 -9.144 650 1HG LYS 85 HG2 LYS 85 -0.803 -6.443 -9.244 651 2HG LYS 85 HG1 LYS 85 -0.221 -6.262 -7.589 652 1HD LYS 85 HD2 LYS 85 2.013 -7.117 -8.337 653 2HD LYS 85 HD1 LYS 85 1.408 -7.117 -9.995 654 1HE LYS 85 HE2 LYS 85 0.991 -4.700 -9.861 655 2HE LYS 85 HE1 LYS 85 1.552 -4.685 -8.189 656 1HZ LYS 85 HZ3 LYS 85 3.690 -5.614 -9.049 657 2HZ LYS 85 HZ2 LYS 85 3.128 -5.313 -10.623 658 3HZ LYS 85 HZ1 LYS 85 3.362 -4.026 -9.541 659 H VAL 86 HN VAL 86 -3.723 -6.793 -8.041 660 HA VAL 86 HA VAL 86 -4.276 -7.403 -10.929 661 HB VAL 86 HB VAL 86 -6.647 -6.813 -10.454 662 1HG1 VAL 86 HG13 VAL 86 -5.716 -9.182 -10.363 663 2HG1 VAL 86 HG12 VAL 86 -5.664 -9.005 -8.608 664 3HG1 VAL 86 HG11 VAL 86 -7.207 -8.921 -9.457 665 1HG2 VAL 86 HG22 VAL 86 -6.133 -5.429 -8.409 666 2HG2 VAL 86 HG21 VAL 86 -7.407 -6.621 -8.153 667 3HG2 VAL 86 HG23 VAL 86 -5.780 -6.924 -7.546 668 H GLY 87 HN GLY 87 -2.787 -5.117 -9.235 669 1HA GLY 87 HA2 GLY 87 -3.215 -3.092 -11.191 670 2HA GLY 87 HA1 GLY 87 -4.246 -2.726 -9.811 671 H GLU 88 HN GLU 88 -1.949 -1.233 -10.828 672 HA GLU 88 HA GLU 88 -0.632 -0.711 -8.302 673 1HB GLU 88 HB2 GLU 88 0.793 -2.556 -8.866 674 2HB GLU 88 HB1 GLU 88 0.927 -2.027 -10.538 675 1HG GLU 88 HG2 GLU 88 1.879 -0.282 -8.262 676 2HG GLU 88 HG1 GLU 88 2.915 -1.537 -8.938 677 H PHE 89 HN PHE 89 0.464 1.277 -8.340 678 HA PHE 89 HA PHE 89 0.976 2.627 -10.845 679 1HB PHE 89 HB2 PHE 89 -0.668 4.323 -10.815 680 2HB PHE 89 HB1 PHE 89 -1.550 2.825 -10.565 681 HD1 PHE 89 HD1 PHE 89 -0.076 5.750 -8.814 682 HD2 PHE 89 HD2 PHE 89 -2.866 2.497 -8.582 683 HE1 PHE 89 HE1 PHE 89 -1.035 6.728 -6.745 684 HE2 PHE 89 HE2 PHE 89 -3.823 3.474 -6.509 685 HZ PHE 89 HZ PHE 89 -2.921 5.592 -5.593 686 H SER 90 HN SER 90 1.899 4.771 -10.493 687 HA SER 90 HA SER 90 2.921 5.181 -7.706 688 1HB SER 90 HB2 SER 90 5.042 5.956 -8.674 689 2HB SER 90 HB1 SER 90 4.731 4.279 -9.121 690 HG SER 90 HG SER 90 5.109 6.389 -10.696 691 H GLY 91 HN GLY 91 3.607 7.393 -7.285 692 1HA GLY 91 HA2 GLY 91 3.638 9.742 -8.202 693 2HA GLY 91 HA1 GLY 91 2.054 9.404 -8.893 694 H ALA 92 HN ALA 92 3.042 11.357 -6.740 695 HA ALA 92 HA ALA 92 1.772 10.460 -4.284 696 1HB ALA 92 HB1 ALA 92 2.951 13.043 -5.273 697 2HB ALA 92 HB3 ALA 92 1.998 13.039 -3.794 698 3HB ALA 92 HB2 ALA 92 3.453 12.047 -3.911 699 H ASN 93 HN ASN 93 -0.260 9.880 -5.700 700 HA ASN 93 HA ASN 93 -2.136 12.229 -5.672 701 1HB ASN 93 HB2 ASN 93 -1.660 11.262 -7.962 702 2HB ASN 93 HB1 ASN 93 -2.420 9.767 -7.408 703 1HD2 ASN 93 HD22 ASN 93 -5.226 12.568 -6.833 704 2HD2 ASN 93 HD21 ASN 93 -3.889 12.363 -5.810 705 H LYS 94 HN LYS 94 -2.896 11.850 -3.552 706 HA LYS 94 HA LYS 94 -3.631 9.259 -2.532 707 1HB LYS 94 HB2 LYS 94 -4.874 10.613 -0.822 708 2HB LYS 94 HB1 LYS 94 -3.185 11.057 -1.003 709 1HG LYS 94 HG2 LYS 94 -4.994 12.573 -2.790 710 2HG LYS 94 HG1 LYS 94 -5.329 12.840 -1.090 711 1HD LYS 94 HD2 LYS 94 -2.513 12.992 -2.158 712 2HD LYS 94 HD1 LYS 94 -3.598 14.373 -2.259 713 1HE LYS 94 HE2 LYS 94 -3.787 14.540 0.104 714 2HE LYS 94 HE1 LYS 94 -3.099 12.934 0.347 715 1HZ LYS 94 HZ2 LYS 94 -1.642 15.236 -0.825 716 2HZ LYS 94 HZ1 LYS 94 -1.508 14.726 0.791 717 3HZ LYS 94 HZ3 LYS 94 -0.997 13.708 -0.464 718 H GLU 95 HN GLU 95 -5.471 11.675 -4.378 719 HA GLU 95 HA GLU 95 -8.059 10.569 -3.850 720 1HB GLU 95 HB2 GLU 95 -7.050 12.118 -6.258 721 2HB GLU 95 HB1 GLU 95 -8.744 11.819 -5.881 722 1HG GLU 95 HG2 GLU 95 -6.828 13.247 -4.025 723 2HG GLU 95 HG1 GLU 95 -7.947 14.067 -5.107 724 H LYS 96 HN LYS 96 -5.526 9.745 -6.092 725 HA LYS 96 HA LYS 96 -6.971 8.157 -7.942 726 1HB LYS 96 HB2 LYS 96 -4.568 8.953 -8.024 727 2HB LYS 96 HB1 LYS 96 -4.168 7.641 -6.936 728 1HG LYS 96 HG2 LYS 96 -4.723 5.978 -8.515 729 2HG LYS 96 HG1 LYS 96 -5.630 7.111 -9.521 730 1HD LYS 96 HD2 LYS 96 -3.507 8.333 -10.003 731 2HD LYS 96 HD1 LYS 96 -2.627 7.113 -9.086 732 1HE LYS 96 HE2 LYS 96 -3.379 5.368 -10.637 733 2HE LYS 96 HE1 LYS 96 -4.346 6.548 -11.523 734 1HZ LYS 96 HZ1 LYS 96 -1.587 7.303 -11.178 735 2HZ LYS 96 HZ3 LYS 96 -1.797 5.896 -12.102 736 3HZ LYS 96 HZ2 LYS 96 -2.559 7.341 -12.570 737 H LEU 97 HN LEU 97 -5.689 7.430 -4.747 738 HA LEU 97 HA LEU 97 -5.966 4.601 -4.761 739 1HB LEU 97 HB2 LEU 97 -6.198 6.714 -2.616 740 2HB LEU 97 HB1 LEU 97 -6.390 5.010 -2.235 741 HG LEU 97 HG LEU 97 -3.967 6.179 -3.618 742 1HD1 LEU 97 HD13 LEU 97 -4.558 5.611 -0.709 743 2HD1 LEU 97 HD12 LEU 97 -2.910 5.707 -1.323 744 3HD1 LEU 97 HD11 LEU 97 -3.973 7.110 -1.430 745 1HD2 LEU 97 HD22 LEU 97 -4.805 3.426 -2.754 746 2HD2 LEU 97 HD21 LEU 97 -3.824 3.922 -4.130 747 3HD2 LEU 97 HD23 LEU 97 -3.117 3.860 -2.522 748 H GLU 98 HN GLU 98 -8.212 7.216 -4.105 749 HA GLU 98 HA GLU 98 -10.404 5.632 -3.165 750 1HB GLU 98 HB2 GLU 98 -10.245 8.109 -2.946 751 2HB GLU 98 HB1 GLU 98 -10.505 8.261 -4.682 752 1HG GLU 98 HG2 GLU 98 -12.698 7.097 -4.421 753 2HG GLU 98 HG1 GLU 98 -12.437 7.062 -2.675 754 H ALA 99 HN ALA 99 -9.593 6.741 -6.458 755 HA ALA 99 HA ALA 99 -11.935 5.534 -7.642 756 1HB ALA 99 HB3 ALA 99 -10.554 7.377 -8.681 757 2HB ALA 99 HB2 ALA 99 -9.327 6.163 -9.044 758 3HB ALA 99 HB1 ALA 99 -10.930 6.040 -9.766 759 H THR 100 HN THR 100 -8.551 4.409 -7.356 760 HA THR 100 HA THR 100 -8.962 2.036 -8.905 761 HB THR 100 HB THR 100 -6.992 2.352 -6.626 762 HG1 THR 100 HG1 THR 100 -6.611 4.069 -7.910 763 1HG2 THR 100 HG23 THR 100 -7.079 0.683 -9.154 764 2HG2 THR 100 HG22 THR 100 -5.642 0.855 -8.145 765 3HG2 THR 100 HG21 THR 100 -7.097 0.101 -7.488 766 H ILE 101 HN ILE 101 -9.310 2.717 -5.441 767 HA ILE 101 HA ILE 101 -9.906 0.025 -4.596 768 HB ILE 101 HB ILE 101 -10.780 2.736 -3.520 769 1HG1 ILE 101 HG12 ILE 101 -8.866 0.765 -2.261 770 2HG1 ILE 101 HG11 ILE 101 -8.309 1.919 -3.470 771 1HG2 ILE 101 HG22 ILE 101 -11.238 -0.048 -2.421 772 2HG2 ILE 101 HG21 ILE 101 -11.327 1.404 -1.422 773 3HG2 ILE 101 HG23 ILE 101 -12.450 1.189 -2.766 774 1HD1 ILE 101 HD13 ILE 101 -9.283 3.763 -2.063 775 2HD1 ILE 101 HD12 ILE 101 -9.647 2.561 -0.825 776 3HD1 ILE 101 HD11 ILE 101 -7.973 2.889 -1.271 777 H ASN 102 HN ASN 102 -11.890 2.750 -5.686 778 HA ASN 102 HA ASN 102 -14.413 1.432 -5.581 779 1HB ASN 102 HB2 ASN 102 -14.032 3.914 -5.914 780 2HB ASN 102 HB1 ASN 102 -13.572 3.554 -7.582 781 1HD2 ASN 102 HD22 ASN 102 -17.486 3.038 -6.440 782 2HD2 ASN 102 HD21 ASN 102 -16.261 3.000 -5.267 783 H GLU 103 HN GLU 103 -11.863 1.523 -7.986 784 HA GLU 103 HA GLU 103 -13.326 0.243 -10.095 785 1HB GLU 103 HB2 GLU 103 -11.123 1.567 -10.204 786 2HB GLU 103 HB1 GLU 103 -10.344 0.087 -9.652 787 1HG GLU 103 HG2 GLU 103 -12.121 0.235 -12.107 788 2HG GLU 103 HG1 GLU 103 -10.362 0.342 -12.158 789 H LEU 104 HN LEU 104 -11.228 -1.014 -7.493 790 HA LEU 104 HA LEU 104 -11.751 -3.796 -8.412 791 1HB LEU 104 HB2 LEU 104 -9.865 -2.696 -6.318 792 2HB LEU 104 HB1 LEU 104 -10.025 -4.405 -6.704 793 HG LEU 104 HG LEU 104 -9.320 -2.292 -8.755 794 1HD1 LEU 104 HD11 LEU 104 -7.537 -4.047 -7.058 795 2HD1 LEU 104 HD13 LEU 104 -6.988 -3.230 -8.520 796 3HD1 LEU 104 HD12 LEU 104 -7.545 -2.287 -7.138 797 1HD2 LEU 104 HD22 LEU 104 -9.406 -5.314 -8.730 798 2HD2 LEU 104 HD21 LEU 104 -10.083 -4.209 -9.920 799 3HD2 LEU 104 HD23 LEU 104 -8.344 -4.464 -9.847 800 H VAL 105 HN VAL 105 -13.288 -1.676 -6.350 801 HA VAL 105 HA VAL 105 -13.670 -3.341 -4.035 802 HB VAL 105 HB VAL 105 -14.240 -0.868 -4.213 803 1HG1 VAL 105 HG13 VAL 105 -15.585 -1.331 -6.404 804 2HG1 VAL 105 HG12 VAL 105 -16.894 -1.780 -5.320 805 3HG1 VAL 105 HG11 VAL 105 -16.218 -0.151 -5.261 806 1HG2 VAL 105 HG22 VAL 105 -14.968 -2.371 -2.347 807 2HG2 VAL 105 HG21 VAL 105 -16.090 -1.045 -2.652 808 3HG2 VAL 105 HG23 VAL 105 -16.468 -2.668 -3.227 809 HA PRO 59 HA PRO 106 14.215 14.356 -14.024 810 1HB PRO 59 HB2 PRO 106 16.556 13.566 -12.880 811 2HB PRO 59 HB1 PRO 106 16.484 14.225 -14.527 812 1HG PRO 59 HG2 PRO 106 17.251 15.592 -11.981 813 2HG PRO 59 HG1 PRO 106 18.013 15.684 -13.580 814 1HD PRO 59 HD2 PRO 106 16.288 17.608 -12.638 815 2HD PRO 59 HD1 PRO 106 16.483 17.244 -14.367 816 H ALA 60 HN ALA 107 14.725 16.233 -11.145 817 HA ALA 60 HA ALA 107 13.896 13.952 -9.396 818 1HB ALA 60 HB3 ALA 107 15.081 16.683 -8.816 819 2HB ALA 60 HB2 ALA 107 14.452 15.624 -7.553 820 3HB ALA 60 HB1 ALA 107 15.820 15.107 -8.539 821 H THR 61 HN THR 108 11.736 13.816 -9.006 822 HA THR 61 HA THR 108 10.068 16.308 -9.219 823 HB THR 61 HB THR 108 9.120 13.428 -9.267 824 HG1 THR 61 HG1 THR 108 8.907 14.193 -11.622 825 1HG2 THR 61 HG21 THR 108 7.474 15.225 -8.709 826 2HG2 THR 61 HG23 THR 108 7.841 15.984 -10.257 827 3HG2 THR 61 HG22 THR 108 7.101 14.382 -10.211 828 H LEU 62 HN LEU 109 9.196 17.072 -7.345 829 HA LEU 62 HA LEU 109 9.790 15.911 -4.803 830 1HB LEU 62 HB2 LEU 109 7.756 17.981 -5.650 831 2HB LEU 62 HB1 LEU 109 8.035 17.547 -3.967 832 HG LEU 62 HG LEU 109 10.231 18.475 -5.833 833 1HD1 LEU 62 HD11 LEU 109 8.530 20.228 -5.590 834 2HD1 LEU 62 HD13 LEU 109 8.602 20.071 -3.836 835 3HD1 LEU 62 HD12 LEU 109 10.000 20.673 -4.724 836 1HD2 LEU 62 HD21 LEU 109 10.052 17.790 -2.902 837 2HD2 LEU 62 HD23 LEU 109 11.347 17.467 -4.053 838 3HD2 LEU 62 HD22 LEU 109 11.145 19.084 -3.389 839 H LYS 63 HN LYS 110 7.118 15.533 -7.005 840 HA LYS 63 HA LYS 110 5.272 14.315 -5.170 841 1HB LYS 63 HB2 LYS 110 5.538 13.932 -8.173 842 2HB LYS 63 HB1 LYS 110 4.121 13.541 -7.209 843 1HG LYS 63 HG2 LYS 110 5.282 16.330 -7.462 844 2HG LYS 63 HG1 LYS 110 3.929 15.729 -8.417 845 1HD LYS 63 HD2 LYS 110 2.774 15.210 -6.196 846 2HD LYS 63 HD1 LYS 110 4.035 16.175 -5.428 847 1HE LYS 63 HE2 LYS 110 2.242 17.176 -7.652 848 2HE LYS 63 HE1 LYS 110 2.002 17.514 -5.937 849 1HZ LYS 63 HZ2 LYS 110 4.393 18.353 -5.998 850 2HZ LYS 63 HZ1 LYS 110 4.218 18.380 -7.689 851 3HZ LYS 63 HZ3 LYS 110 3.202 19.329 -6.717 852 H ILE 64 HN ILE 111 8.157 13.194 -6.645 853 HA ILE 64 HA ILE 111 7.568 10.366 -5.788 854 HB ILE 64 HB ILE 111 9.082 11.357 -8.229 855 1HG1 ILE 64 HG12 ILE 111 6.659 11.280 -8.560 856 2HG1 ILE 64 HG11 ILE 111 7.436 9.998 -9.477 857 1HG2 ILE 64 HG21 ILE 111 8.880 8.585 -7.049 858 2HG2 ILE 64 HG23 ILE 111 9.355 8.889 -8.719 859 3HG2 ILE 64 HG22 ILE 111 10.345 9.505 -7.398 860 1HD1 ILE 64 HD13 ILE 111 6.955 8.592 -7.248 861 2HD1 ILE 64 HD12 ILE 111 5.690 9.802 -7.056 862 3HD1 ILE 64 HD11 ILE 111 5.728 8.786 -8.496 863 H CYS 65 HN CYS 112 9.276 9.366 -4.631 864 HA CYS 65 HA CYS 112 11.646 11.079 -4.014 865 1HB CYS 65 HB2 CYS 112 10.764 8.535 -2.610 866 2HB CYS 65 HB1 CYS 112 12.016 9.641 -2.079 867 H SER 66 HN SER 113 13.595 10.472 -4.947 868 HA SER 66 HA SER 113 13.598 8.133 -6.716 869 1HB SER 66 HB2 SER 113 15.768 10.147 -6.077 870 2HB SER 66 HB1 SER 113 15.889 8.898 -7.312 871 HG SER 66 HG SER 113 13.701 10.674 -7.243 872 H TRP 67 HN TRP 114 14.799 6.263 -6.510 873 HA TRP 67 HA TRP 114 15.557 5.431 -3.821 874 1HB TRP 67 HB2 TRP 114 15.776 4.072 -6.528 875 2HB TRP 67 HB1 TRP 114 16.261 3.309 -5.011 876 HD1 TRP 67 HD1 TRP 114 13.162 5.296 -6.186 877 HE1 TRP 67 HE1 TRP 114 11.064 4.108 -5.300 878 HE3 TRP 67 HE3 TRP 114 15.307 1.367 -3.747 879 HZ2 TRP 67 HZ2 TRP 114 10.400 1.836 -3.727 880 HZ3 TRP 67 HZ3 TRP 114 13.921 -0.294 -2.564 881 HH2 TRP 67 HH2 TRP 114 11.458 -0.070 -2.564 882 H ASN 68 HN ASN 115 17.149 7.035 -6.370 883 HA ASN 68 HA ASN 115 19.799 6.047 -6.222 884 1HB ASN 68 HB2 ASN 115 18.789 8.893 -6.610 885 2HB ASN 68 HB1 ASN 115 20.476 8.419 -6.808 886 1HD2 ASN 68 HD22 ASN 115 18.495 6.125 -9.428 887 2HD2 ASN 68 HD21 ASN 115 18.519 5.822 -7.757 888 H VAL 69 HN VAL 116 17.861 7.461 -3.845 889 HA VAL 69 HA VAL 116 19.840 8.851 -2.293 890 HB VAL 69 HB VAL 116 18.200 8.573 -0.423 891 1HG1 VAL 69 HG12 VAL 116 17.187 9.446 -3.139 892 2HG1 VAL 69 HG11 VAL 116 16.319 9.759 -1.636 893 3HG1 VAL 69 HG13 VAL 116 17.918 10.454 -1.891 894 1HG2 VAL 69 HG22 VAL 116 16.785 6.872 -2.501 895 2HG2 VAL 69 HG21 VAL 116 17.298 6.373 -0.893 896 3HG2 VAL 69 HG23 VAL 116 15.977 7.525 -1.081 897 H ASP 70 HN ASP 117 21.216 8.081 -0.698 898 HA ASP 70 HA ASP 117 22.078 5.376 -0.831 899 1HB ASP 70 HB2 ASP 117 22.489 7.511 1.277 900 2HB ASP 70 HB1 ASP 117 23.269 5.928 1.348 901 H GLY 71 HN GLY 118 19.825 7.004 1.393 902 1HA GLY 71 HA2 GLY 118 19.445 4.649 3.052 903 2HA GLY 71 HA1 GLY 118 18.420 6.085 3.054 No H/Q in entry = 903 Start of MODEL 2 1 1H MET 1 HT3 MET 1 -8.337 -3.225 8.935 2 2H MET 1 HT2 MET 1 -9.549 -2.826 10.058 3 3H MET 1 HT1 MET 1 -9.395 -1.937 8.618 4 HA MET 1 HA MET 1 -8.393 -0.527 10.096 5 1HB MET 1 HB2 MET 1 -7.070 -1.277 11.999 6 2HB MET 1 HB1 MET 1 -8.601 -2.153 11.984 7 1HG MET 1 HG2 MET 1 -7.462 -4.052 10.830 8 2HG MET 1 HG1 MET 1 -5.931 -3.188 10.974 9 1HE MET 1 HE2 MET 1 -5.125 -5.333 11.905 10 2HE MET 1 HE1 MET 1 -5.393 -5.940 13.537 11 3HE MET 1 HE3 MET 1 -6.600 -6.222 12.273 12 H VAL 2 HN VAL 2 -5.715 -0.425 10.711 13 HA VAL 2 HA VAL 2 -4.445 -0.759 8.021 14 HB VAL 2 HB VAL 2 -3.740 0.906 10.457 15 1HG1 VAL 2 HG12 VAL 2 -2.216 0.428 7.882 16 2HG1 VAL 2 HG11 VAL 2 -1.948 1.846 8.897 17 3HG1 VAL 2 HG13 VAL 2 -1.633 0.233 9.536 18 1HG2 VAL 2 HG21 VAL 2 -5.610 1.598 8.852 19 2HG2 VAL 2 HG23 VAL 2 -4.314 2.770 9.071 20 3HG2 VAL 2 HG22 VAL 2 -4.357 1.769 7.624 21 H LYS 3 HN LYS 3 -2.535 -2.013 7.792 22 HA LYS 3 HA LYS 3 -1.493 -3.405 10.240 23 1HB LYS 3 HB2 LYS 3 -2.974 -4.922 8.968 24 2HB LYS 3 HB1 LYS 3 -2.011 -4.635 7.517 25 1HG LYS 3 HG2 LYS 3 -0.152 -5.772 8.365 26 2HG LYS 3 HG1 LYS 3 -0.681 -5.642 10.035 27 1HD LYS 3 HD2 LYS 3 -2.589 -7.176 9.480 28 2HD LYS 3 HD1 LYS 3 -1.915 -7.362 7.860 29 1HE LYS 3 HE2 LYS 3 -1.154 -9.223 9.232 30 2HE LYS 3 HE1 LYS 3 0.220 -8.169 8.900 31 1HZ LYS 3 HZ1 LYS 3 -1.401 -7.756 11.322 32 2HZ LYS 3 HZ3 LYS 3 -0.211 -8.964 11.301 33 3HZ LYS 3 HZ2 LYS 3 0.222 -7.343 11.032 34 H GLN 4 HN GLN 4 0.689 -3.149 10.422 35 HA GLN 4 HA GLN 4 2.169 -2.069 8.075 36 1HB GLN 4 HB2 GLN 4 2.412 -0.912 10.254 37 2HB GLN 4 HB1 GLN 4 3.059 -2.393 10.959 38 1HG GLN 4 HG2 GLN 4 4.933 -2.361 9.360 39 2HG GLN 4 HG1 GLN 4 4.276 -0.905 8.610 40 1HE2 GLN 4 HE22 GLN 4 6.296 0.960 10.828 41 2HE2 GLN 4 HE21 GLN 4 5.914 0.600 9.213 42 H ILE 5 HN ILE 5 3.382 -3.392 6.867 43 HA ILE 5 HA ILE 5 4.038 -6.132 7.869 44 HB ILE 5 HB ILE 5 4.349 -5.020 5.064 45 1HG1 ILE 5 HG12 ILE 5 1.995 -4.791 5.715 46 2HG1 ILE 5 HG11 ILE 5 2.178 -6.100 4.551 47 1HG2 ILE 5 HG22 ILE 5 4.162 -7.813 6.208 48 2HG2 ILE 5 HG21 ILE 5 4.205 -7.431 4.495 49 3HG2 ILE 5 HG23 ILE 5 5.590 -7.054 5.509 50 1HD1 ILE 5 HD13 ILE 5 2.234 -7.718 6.482 51 2HD1 ILE 5 HD12 ILE 5 1.861 -6.369 7.550 52 3HD1 ILE 5 HD11 ILE 5 0.709 -6.853 6.318 53 H GLU 6 HN GLU 6 6.087 -6.261 8.732 54 HA GLU 6 HA GLU 6 8.157 -4.345 7.764 55 1HB GLU 6 HB2 GLU 6 8.202 -6.269 10.110 56 2HB GLU 6 HB1 GLU 6 9.444 -5.071 9.724 57 1HG GLU 6 HG2 GLU 6 6.558 -4.308 10.189 58 2HG GLU 6 HG1 GLU 6 7.742 -4.376 11.495 59 H SER 7 HN SER 7 7.097 -7.440 7.043 60 HA SER 7 HA SER 7 9.684 -8.022 5.722 61 1HB SER 7 HB2 SER 7 9.805 -10.307 6.649 62 2HB SER 7 HB1 SER 7 9.952 -9.089 7.921 63 HG SER 7 HG SER 7 8.441 -10.461 8.672 64 H LYS 8 HN LYS 8 9.532 -9.777 4.181 65 HA LYS 8 HA LYS 8 7.083 -9.758 2.684 66 1HB LYS 8 HB2 LYS 8 9.403 -10.284 1.780 67 2HB LYS 8 HB1 LYS 8 9.241 -11.866 2.544 68 1HG LYS 8 HG2 LYS 8 6.971 -12.000 1.263 69 2HG LYS 8 HG1 LYS 8 7.637 -10.693 0.281 70 1HD LYS 8 HD2 LYS 8 9.008 -13.355 0.759 71 2HD LYS 8 HD1 LYS 8 8.089 -12.946 -0.690 72 1HE LYS 8 HE2 LYS 8 9.628 -10.952 -0.969 73 2HE LYS 8 HE1 LYS 8 10.624 -11.638 0.311 74 1HZ LYS 8 HZ1 LYS 8 9.879 -13.041 -2.196 75 2HZ LYS 8 HZ3 LYS 8 11.373 -12.287 -1.916 76 3HZ LYS 8 HZ2 LYS 8 10.911 -13.628 -0.980 77 H THR 9 HN THR 9 8.461 -11.877 5.123 78 HA THR 9 HA THR 9 6.714 -14.077 4.836 79 HB THR 9 HB THR 9 7.788 -12.922 7.421 80 HG1 THR 9 HG1 THR 9 9.224 -13.561 5.543 81 1HG2 THR 9 HG23 THR 9 6.713 -15.649 6.673 82 2HG2 THR 9 HG22 THR 9 7.666 -15.354 8.126 83 3HG2 THR 9 HG21 THR 9 6.107 -14.558 7.919 84 H ALA 10 HN ALA 10 6.333 -11.102 6.737 85 HA ALA 10 HA ALA 10 3.676 -11.791 7.631 86 1HB ALA 10 HB3 ALA 10 5.336 -9.281 7.628 87 2HB ALA 10 HB2 ALA 10 3.613 -9.178 8.001 88 3HB ALA 10 HB1 ALA 10 4.674 -10.174 8.998 89 H PHE 11 HN PHE 11 5.010 -10.199 4.800 90 HA PHE 11 HA PHE 11 2.629 -8.973 3.820 91 1HB PHE 11 HB2 PHE 11 4.994 -8.769 2.851 92 2HB PHE 11 HB1 PHE 11 4.738 -10.342 2.115 93 HD1 PHE 11 HD1 PHE 11 2.943 -7.079 2.494 94 HD2 PHE 11 HD2 PHE 11 3.910 -10.379 -0.084 95 HE1 PHE 11 HE1 PHE 11 1.717 -5.992 0.645 96 HE2 PHE 11 HE2 PHE 11 2.676 -9.283 -1.940 97 HZ PHE 11 HZ PHE 11 1.579 -7.094 -1.570 98 H GLN 12 HN GLN 12 3.928 -12.239 3.398 99 HA GLN 12 HA GLN 12 1.836 -13.161 1.658 100 1HB GLN 12 HB2 GLN 12 3.642 -14.675 3.580 101 2HB GLN 12 HB1 GLN 12 2.667 -15.423 2.317 102 1HG GLN 12 HG2 GLN 12 4.834 -13.346 1.837 103 2HG GLN 12 HG1 GLN 12 5.038 -15.083 1.614 104 1HE2 GLN 12 HE22 GLN 12 2.879 -15.146 -1.325 105 2HE2 GLN 12 HE21 GLN 12 3.221 -16.069 0.059 106 H GLU 13 HN GLU 13 2.308 -13.301 5.181 107 HA GLU 13 HA GLU 13 -0.052 -14.777 5.832 108 1HB GLU 13 HB2 GLU 13 1.591 -12.769 7.383 109 2HB GLU 13 HB1 GLU 13 0.256 -13.648 8.104 110 1HG GLU 13 HG2 GLU 13 2.678 -14.934 6.804 111 2HG GLU 13 HG1 GLU 13 2.452 -14.741 8.538 112 H ALA 14 HN ALA 14 0.483 -11.262 5.490 113 HA ALA 14 HA ALA 14 -2.161 -10.559 6.387 114 1HB ALA 14 HB1 ALA 14 -0.239 -9.074 4.572 115 2HB ALA 14 HB3 ALA 14 -1.732 -8.391 5.218 116 3HB ALA 14 HB2 ALA 14 -0.431 -8.854 6.312 117 H LEU 15 HN LEU 15 -0.778 -11.268 3.182 118 HA LEU 15 HA LEU 15 -3.119 -10.623 1.692 119 1HB LEU 15 HB2 LEU 15 -0.944 -12.673 1.192 120 2HB LEU 15 HB1 LEU 15 -2.207 -12.296 0.025 121 HG LEU 15 HG LEU 15 -0.379 -10.200 1.212 122 1HD1 LEU 15 HD13 LEU 15 -0.022 -11.985 -1.187 123 2HD1 LEU 15 HD12 LEU 15 0.671 -10.365 -1.176 124 3HD1 LEU 15 HD11 LEU 15 1.151 -11.534 0.051 125 1HD2 LEU 15 HD23 LEU 15 -2.472 -10.241 -0.956 126 2HD2 LEU 15 HD22 LEU 15 -2.185 -9.040 0.298 127 3HD2 LEU 15 HD21 LEU 15 -1.116 -9.123 -1.096 128 H ASP 16 HN ASP 16 -2.086 -13.600 3.348 129 HA ASP 16 HA ASP 16 -4.381 -15.135 2.517 130 1HB ASP 16 HB2 ASP 16 -2.217 -16.111 3.412 131 2HB ASP 16 HB1 ASP 16 -2.738 -15.591 5.019 132 H ALA 17 HN ALA 17 -3.671 -13.046 5.253 133 HA ALA 17 HA ALA 17 -5.996 -13.733 6.805 134 1HB ALA 17 HB2 ALA 17 -3.985 -12.619 7.746 135 2HB ALA 17 HB1 ALA 17 -4.381 -11.171 6.822 136 3HB ALA 17 HB3 ALA 17 -5.464 -11.725 8.099 137 H ALA 18 HN ALA 18 -5.358 -11.250 4.361 138 HA ALA 18 HA ALA 18 -7.777 -9.774 4.704 139 1HB ALA 18 HB2 ALA 18 -5.951 -10.201 2.339 140 2HB ALA 18 HB1 ALA 18 -7.377 -9.169 2.241 141 3HB ALA 18 HB3 ALA 18 -6.080 -8.776 3.370 142 H GLY 19 HN GLY 19 -7.075 -12.769 2.999 143 1HA GLY 19 HA2 GLY 19 -8.539 -14.370 2.107 144 2HA GLY 19 HA1 GLY 19 -9.851 -13.522 2.922 145 H ASP 20 HN ASP 20 -11.389 -13.006 1.416 146 HA ASP 20 HA ASP 20 -10.588 -12.458 -1.377 147 1HB ASP 20 HB2 ASP 20 -13.332 -12.602 -0.089 148 2HB ASP 20 HB1 ASP 20 -13.009 -12.481 -1.820 149 H LYS 21 HN LYS 21 -10.731 -10.596 1.336 150 HA LYS 21 HA LYS 21 -12.245 -8.322 0.355 151 1HB LYS 21 HB2 LYS 21 -10.156 -8.554 2.544 152 2HB LYS 21 HB1 LYS 21 -11.111 -7.105 2.233 153 1HG LYS 21 HG2 LYS 21 -13.174 -8.675 2.465 154 2HG LYS 21 HG1 LYS 21 -12.047 -9.796 3.226 155 1HD LYS 21 HD2 LYS 21 -11.372 -7.820 4.738 156 2HD LYS 21 HD1 LYS 21 -12.830 -7.025 4.144 157 1HE LYS 21 HE2 LYS 21 -14.139 -9.052 4.864 158 2HE LYS 21 HE1 LYS 21 -12.666 -9.668 5.610 159 1HZ LYS 21 HZ1 LYS 21 -13.666 -6.969 6.248 160 2HZ LYS 21 HZ3 LYS 21 -14.290 -8.331 7.044 161 3HZ LYS 21 HZ2 LYS 21 -12.634 -7.969 7.156 162 H LEU 22 HN LEU 22 -11.394 -6.324 -0.455 163 HA LEU 22 HA LEU 22 -9.253 -6.568 -2.294 164 1HB LEU 22 HB2 LEU 22 -11.226 -4.698 -1.785 165 2HB LEU 22 HB1 LEU 22 -9.795 -3.843 -1.233 166 HG LEU 22 HG LEU 22 -10.257 -5.008 -3.984 167 1HD1 LEU 22 HD11 LEU 22 -10.566 -2.319 -2.786 168 2HD1 LEU 22 HD13 LEU 22 -9.585 -2.323 -4.250 169 3HD1 LEU 22 HD12 LEU 22 -11.220 -2.969 -4.286 170 1HD2 LEU 22 HD23 LEU 22 -7.784 -3.883 -2.675 171 2HD2 LEU 22 HD22 LEU 22 -7.939 -5.337 -3.663 172 3HD2 LEU 22 HD21 LEU 22 -8.009 -3.751 -4.413 173 H VAL 23 HN VAL 23 -7.059 -5.521 -2.102 174 HA VAL 23 HA VAL 23 -6.189 -4.910 0.668 175 HB VAL 23 HB VAL 23 -4.856 -6.972 -1.104 176 1HG1 VAL 23 HG13 VAL 23 -4.129 -5.710 1.544 177 2HG1 VAL 23 HG12 VAL 23 -3.522 -7.301 1.092 178 3HG1 VAL 23 HG11 VAL 23 -3.129 -5.897 0.105 179 1HG2 VAL 23 HG21 VAL 23 -6.546 -7.161 1.390 180 2HG2 VAL 23 HG23 VAL 23 -6.777 -7.991 -0.148 181 3HG2 VAL 23 HG22 VAL 23 -5.442 -8.447 0.904 182 H VAL 24 HN VAL 24 -5.353 -2.912 0.400 183 HA VAL 24 HA VAL 24 -3.832 -2.315 -2.094 184 HB VAL 24 HB VAL 24 -4.756 -0.400 0.081 185 1HG1 VAL 24 HG13 VAL 24 -2.822 0.259 -1.437 186 2HG1 VAL 24 HG12 VAL 24 -3.948 0.135 -2.787 187 3HG1 VAL 24 HG11 VAL 24 -4.226 1.320 -1.511 188 1HG2 VAL 24 HG22 VAL 24 -6.051 -1.311 -2.495 189 2HG2 VAL 24 HG21 VAL 24 -6.754 -1.273 -0.880 190 3HG2 VAL 24 HG23 VAL 24 -6.454 0.234 -1.748 191 H VAL 25 HN VAL 25 -1.632 -1.771 -1.961 192 HA VAL 25 HA VAL 25 -0.365 -1.954 0.761 193 HB VAL 25 HB VAL 25 0.784 -2.936 -1.871 194 1HG1 VAL 25 HG12 VAL 25 2.435 -2.219 -0.136 195 2HG1 VAL 25 HG11 VAL 25 1.704 -3.378 0.975 196 3HG1 VAL 25 HG13 VAL 25 2.507 -3.945 -0.486 197 1HG2 VAL 25 HG22 VAL 25 -1.193 -4.262 -1.000 198 2HG2 VAL 25 HG21 VAL 25 0.312 -5.170 -1.127 199 3HG2 VAL 25 HG23 VAL 25 -0.239 -4.596 0.442 200 H ASP 26 HN ASP 26 0.642 -0.081 1.278 201 HA ASP 26 HA ASP 26 1.423 1.805 -0.909 202 1HB ASP 26 HB2 ASP 26 0.020 2.663 0.962 203 2HB ASP 26 HB1 ASP 26 1.302 2.244 2.098 204 H PHE 27 HN PHE 27 3.550 1.806 -1.523 205 HA PHE 27 HA PHE 27 5.601 0.628 0.295 206 1HB PHE 27 HB2 PHE 27 5.608 1.295 -2.662 207 2HB PHE 27 HB1 PHE 27 7.090 0.894 -1.785 208 HD1 PHE 27 HD1 PHE 27 7.292 -1.309 -0.619 209 HD2 PHE 27 HD2 PHE 27 4.050 -0.412 -3.287 210 HE1 PHE 27 HE1 PHE 27 6.796 -3.729 -0.829 211 HE2 PHE 27 HE2 PHE 27 3.552 -2.829 -3.481 212 HZ PHE 27 HZ PHE 27 4.924 -4.489 -2.260 213 H SER 28 HN SER 28 4.353 3.445 0.431 214 HA SER 28 HA SER 28 6.236 5.382 -0.323 215 1HB SER 28 HB2 SER 28 4.559 5.354 2.202 216 2HB SER 28 HB1 SER 28 5.329 6.769 1.492 217 HG SER 28 HG SER 28 2.965 5.870 0.936 218 H ALA 29 HN ALA 29 8.076 6.224 0.587 219 HA ALA 29 HA ALA 29 9.550 4.485 2.424 220 1HB ALA 29 HB2 ALA 29 10.153 6.994 0.868 221 2HB ALA 29 HB1 ALA 29 11.244 6.493 2.161 222 3HB ALA 29 HB3 ALA 29 10.955 5.427 0.784 223 H THR 30 HN THR 30 9.622 4.793 4.619 224 HA THR 30 HA THR 30 7.964 6.819 5.822 225 HB THR 30 HB THR 30 8.433 4.686 6.967 226 HG1 THR 30 HG1 THR 30 8.882 7.159 8.037 227 1HG2 THR 30 HG21 THR 30 10.813 4.547 6.103 228 2HG2 THR 30 HG23 THR 30 11.254 5.718 7.345 229 3HG2 THR 30 HG22 THR 30 10.619 4.138 7.809 230 H TRP 31 HN TRP 31 11.387 6.568 5.056 231 HA TRP 31 HA TRP 31 12.156 8.892 6.622 232 1HB TRP 31 HB2 TRP 31 14.273 8.753 5.429 233 2HB TRP 31 HB1 TRP 31 13.769 7.146 5.947 234 HD1 TRP 31 HD1 TRP 31 13.338 5.379 4.145 235 HE1 TRP 31 HE1 TRP 31 13.576 5.313 1.577 236 HE3 TRP 31 HE3 TRP 31 13.888 10.354 3.198 237 HZ2 TRP 31 HZ2 TRP 31 13.911 7.150 -0.591 238 HZ3 TRP 31 HZ3 TRP 31 14.139 11.173 0.879 239 HH2 TRP 31 HH2 TRP 31 14.158 9.579 -1.012 240 H CYS 32 HN CYS 32 10.735 8.473 3.480 241 HA CYS 32 HA CYS 32 11.600 11.129 2.560 242 1HB CYS 32 HB2 CYS 32 11.188 9.075 1.061 243 2HB CYS 32 HB1 CYS 32 9.473 9.393 1.292 244 H GLY 33 HN GLY 33 10.690 12.844 3.435 245 1HA GLY 33 HA2 GLY 33 8.315 12.867 4.968 246 2HA GLY 33 HA1 GLY 33 9.089 14.299 4.300 247 HA PRO 34 HA PRO 34 6.136 14.901 1.048 248 1HB PRO 34 HB2 PRO 34 7.569 13.286 -1.011 249 2HB PRO 34 HB1 PRO 34 7.044 14.979 -1.073 250 1HG PRO 34 HG2 PRO 34 9.657 14.240 -0.745 251 2HG PRO 34 HG1 PRO 34 8.995 15.754 -0.112 252 1HD PRO 34 HD2 PRO 34 9.827 13.327 1.367 253 2HD PRO 34 HD1 PRO 34 9.614 14.987 1.973 254 H ALA 35 HN ALA 35 7.370 11.571 1.064 255 HA ALA 35 HA ALA 35 4.851 10.460 0.078 256 1HB ALA 35 HB2 ALA 35 7.363 9.523 -0.006 257 2HB ALA 35 HB1 ALA 35 6.869 8.750 1.499 258 3HB ALA 35 HB3 ALA 35 5.976 8.438 0.008 259 H LYS 36 HN LYS 36 6.546 10.584 3.226 260 HA LYS 36 HA LYS 36 4.579 9.179 4.728 261 1HB LYS 36 HB2 LYS 36 6.855 9.817 5.576 262 2HB LYS 36 HB1 LYS 36 6.292 11.485 5.699 263 1HG LYS 36 HG2 LYS 36 4.470 10.732 7.222 264 2HG LYS 36 HG1 LYS 36 5.102 9.092 7.134 265 1HD LYS 36 HD2 LYS 36 6.093 9.882 9.099 266 2HD LYS 36 HD1 LYS 36 7.356 10.188 7.910 267 1HE LYS 36 HE2 LYS 36 6.703 12.522 7.739 268 2HE LYS 36 HE1 LYS 36 5.301 12.246 8.776 269 1HZ LYS 36 HZ2 LYS 36 7.694 11.311 9.986 270 2HZ LYS 36 HZ1 LYS 36 7.822 12.957 9.584 271 3HZ LYS 36 HZ3 LYS 36 6.552 12.424 10.575 272 H MET 37 HN MET 37 4.774 12.500 3.653 273 HA MET 37 HA MET 37 2.749 13.655 5.258 274 1HB MET 37 HB2 MET 37 4.356 14.862 3.746 275 2HB MET 37 HB1 MET 37 3.387 14.331 2.376 276 1HG MET 37 HG2 MET 37 2.111 15.809 4.675 277 2HG MET 37 HG1 MET 37 2.913 16.680 3.370 278 1HE MET 37 HE2 MET 37 2.576 15.938 0.877 279 2HE MET 37 HE1 MET 37 0.941 16.256 0.303 280 3HE MET 37 HE3 MET 37 1.759 17.428 1.345 281 H ILE 38 HN ILE 38 2.523 11.556 2.469 282 HA ILE 38 HA ILE 38 -0.326 12.097 2.046 283 HB ILE 38 HB ILE 38 1.166 9.735 0.884 284 1HG1 ILE 38 HG12 ILE 38 1.223 12.582 -0.185 285 2HG1 ILE 38 HG11 ILE 38 2.583 11.783 0.600 286 1HG2 ILE 38 HG22 ILE 38 -1.263 9.940 0.475 287 2HG2 ILE 38 HG21 ILE 38 -1.023 11.562 -0.165 288 3HG2 ILE 38 HG23 ILE 38 -0.357 10.169 -1.014 289 1HD1 ILE 38 HD13 ILE 38 2.313 9.929 -1.135 290 2HD1 ILE 38 HD12 ILE 38 1.256 11.039 -2.002 291 3HD1 ILE 38 HD11 ILE 38 2.945 11.465 -1.717 292 H LYS 39 HN LYS 39 1.339 10.223 4.351 293 HA LYS 39 HA LYS 39 -0.202 7.856 4.252 294 1HB LYS 39 HB2 LYS 39 0.641 7.222 6.331 295 2HB LYS 39 HB1 LYS 39 1.895 8.237 5.650 296 1HG LYS 39 HG2 LYS 39 1.463 10.010 7.134 297 2HG LYS 39 HG1 LYS 39 -0.151 9.431 7.536 298 1HD LYS 39 HD2 LYS 39 2.418 7.998 8.252 299 2HD LYS 39 HD1 LYS 39 1.508 9.026 9.353 300 1HE LYS 39 HE2 LYS 39 0.485 7.061 9.953 301 2HE LYS 39 HE1 LYS 39 -0.468 7.311 8.493 302 1HZ LYS 39 HZ2 LYS 39 1.668 6.140 7.456 303 2HZ LYS 39 HZ1 LYS 39 1.700 5.438 9.006 304 3HZ LYS 39 HZ3 LYS 39 0.325 5.269 8.026 305 HA PRO 40 HA PRO 40 -3.308 9.988 7.376 306 1HB PRO 40 HB2 PRO 40 -3.717 12.481 5.783 307 2HB PRO 40 HB1 PRO 40 -3.653 12.272 7.544 308 1HG PRO 40 HG2 PRO 40 -1.635 13.436 6.226 309 2HG PRO 40 HG1 PRO 40 -1.322 12.356 7.594 310 1HD PRO 40 HD2 PRO 40 -1.056 11.806 4.669 311 2HD PRO 40 HD1 PRO 40 -0.004 11.262 5.992 312 H PHE 41 HN PHE 41 -3.399 10.724 3.850 313 HA PHE 41 HA PHE 41 -6.236 10.214 3.612 314 1HB PHE 41 HB2 PHE 41 -3.981 10.098 1.583 315 2HB PHE 41 HB1 PHE 41 -5.674 9.888 1.169 316 HD1 PHE 41 HD2 PHE 41 -3.263 12.243 2.709 317 HD2 PHE 41 HD1 PHE 41 -7.097 11.742 0.847 318 HE1 PHE 41 HE2 PHE 41 -3.522 14.704 2.597 319 HE2 PHE 41 HE1 PHE 41 -7.363 14.211 0.735 320 HZ PHE 41 HZ PHE 41 -5.575 15.691 1.608 321 H PHE 42 HN PHE 42 -3.362 8.232 2.902 322 HA PHE 42 HA PHE 42 -4.746 5.850 2.150 323 1HB PHE 42 HB2 PHE 42 -2.371 6.275 1.677 324 2HB PHE 42 HB1 PHE 42 -2.000 6.235 3.402 325 HD1 PHE 42 HD1 PHE 42 -3.157 4.215 0.511 326 HD2 PHE 42 HD2 PHE 42 -1.820 4.180 4.593 327 HE1 PHE 42 HE1 PHE 42 -2.953 1.744 0.425 328 HE2 PHE 42 HE2 PHE 42 -1.613 1.713 4.510 329 HZ PHE 42 HZ PHE 42 -2.182 0.491 2.426 330 H HIS 43 HN HIS 43 -3.338 6.829 5.245 331 HA HIS 43 HA HIS 43 -4.251 4.572 6.762 332 1HB HIS 43 HB2 HIS 43 -2.361 6.009 7.428 333 2HB HIS 43 HB1 HIS 43 -3.462 7.374 7.624 334 HD1 HIS 43 HD1 HIS 43 -2.375 4.197 9.232 335 HD2 HIS 43 HD2 HIS 43 -5.166 7.206 9.908 336 HE1 HIS 43 HE1 HIS 43 -3.389 3.727 11.505 337 H SER 44 HN SER 44 -5.595 7.848 6.287 338 HA SER 44 HA SER 44 -7.755 7.567 8.144 339 1HB SER 44 HB2 SER 44 -7.568 9.326 5.684 340 2HB SER 44 HB1 SER 44 -8.805 9.460 6.927 341 HG SER 44 HG SER 44 -7.194 9.922 8.427 342 H LEU 45 HN LEU 45 -7.465 6.802 4.712 343 HA LEU 45 HA LEU 45 -10.215 6.253 4.220 344 1HB LEU 45 HB2 LEU 45 -7.692 5.253 2.926 345 2HB LEU 45 HB1 LEU 45 -9.277 4.789 2.339 346 HG LEU 45 HG LEU 45 -8.563 7.703 2.718 347 1HD1 LEU 45 HD11 LEU 45 -6.835 6.699 1.262 348 2HD1 LEU 45 HD13 LEU 45 -8.099 6.015 0.239 349 3HD1 LEU 45 HD12 LEU 45 -7.899 7.765 0.341 350 1HD2 LEU 45 HD23 LEU 45 -10.593 6.166 1.078 351 2HD2 LEU 45 HD22 LEU 45 -10.893 7.354 2.344 352 3HD2 LEU 45 HD21 LEU 45 -10.238 7.868 0.798 353 H SER 46 HN SER 46 -7.777 4.365 5.859 354 HA SER 46 HA SER 46 -8.788 1.767 5.484 355 1HB SER 46 HB2 SER 46 -7.746 2.939 8.089 356 2HB SER 46 HB1 SER 46 -7.888 1.226 7.720 357 HG SER 46 HG SER 46 -6.326 1.431 6.176 358 H GLU 47 HN GLU 47 -9.886 4.340 7.653 359 HA GLU 47 HA GLU 47 -12.052 2.654 8.701 360 1HB GLU 47 HB2 GLU 47 -11.415 5.605 9.042 361 2HB GLU 47 HB1 GLU 47 -12.768 4.793 9.825 362 1HG GLU 47 HG2 GLU 47 -9.859 3.989 10.152 363 2HG GLU 47 HG1 GLU 47 -10.768 4.958 11.308 364 H LYS 48 HN LYS 48 -11.573 4.743 5.955 365 HA LYS 48 HA LYS 48 -14.399 5.443 5.658 366 1HB LYS 48 HB2 LYS 48 -12.561 6.789 4.567 367 2HB LYS 48 HB1 LYS 48 -12.260 5.411 3.502 368 1HG LYS 48 HG2 LYS 48 -14.633 5.512 2.742 369 2HG LYS 48 HG1 LYS 48 -14.865 6.950 3.733 370 1HD LYS 48 HD2 LYS 48 -13.108 8.117 2.451 371 2HD LYS 48 HD1 LYS 48 -12.882 6.673 1.461 372 1HE LYS 48 HE2 LYS 48 -15.208 6.815 0.687 373 2HE LYS 48 HE1 LYS 48 -15.461 8.245 1.685 374 1HZ LYS 48 HZ3 LYS 48 -13.492 8.004 -0.526 375 2HZ LYS 48 HZ2 LYS 48 -14.969 8.840 -0.604 376 3HZ LYS 48 HZ1 LYS 48 -13.737 9.383 0.431 377 H TYR 49 HN TYR 49 -12.173 2.989 4.516 378 HA TYR 49 HA TYR 49 -14.512 1.398 3.489 379 1HB TYR 49 HB2 TYR 49 -11.652 1.441 2.450 380 2HB TYR 49 HB1 TYR 49 -12.904 0.324 1.910 381 HD1 TYR 49 HD2 TYR 49 -15.143 1.412 1.086 382 HD2 TYR 49 HD1 TYR 49 -11.399 3.502 1.340 383 HE1 TYR 49 HE2 TYR 49 -15.981 3.107 -0.519 384 HE2 TYR 49 HE1 TYR 49 -12.240 5.197 -0.266 385 HH TYR 49 HH TYR 49 -13.973 5.323 -2.073 386 H SER 50 HN SER 50 -14.395 0.949 5.902 387 HA SER 50 HA SER 50 -12.255 -0.555 7.034 388 1HB SER 50 HB2 SER 50 -13.800 -1.040 8.805 389 2HB SER 50 HB1 SER 50 -14.161 0.586 8.253 390 HG SER 50 HG SER 50 -15.473 -1.762 7.341 391 H ASN 51 HN ASN 51 -14.481 -1.327 4.616 392 HA ASN 51 HA ASN 51 -14.477 -4.234 5.158 393 1HB ASN 51 HB2 ASN 51 -16.497 -3.015 4.211 394 2HB ASN 51 HB1 ASN 51 -15.566 -2.784 2.732 395 1HD2 ASN 51 HD22 ASN 51 -16.292 -6.007 1.546 396 2HD2 ASN 51 HD21 ASN 51 -15.789 -4.422 1.209 397 H VAL 52 HN VAL 52 -12.213 -2.221 4.171 398 HA VAL 52 HA VAL 52 -11.068 -4.127 2.174 399 HB VAL 52 HB VAL 52 -11.022 -1.098 2.154 400 1HG1 VAL 52 HG11 VAL 52 -9.174 -3.101 0.873 401 2HG1 VAL 52 HG13 VAL 52 -9.567 -1.617 0.002 402 3HG1 VAL 52 HG12 VAL 52 -8.798 -1.535 1.583 403 1HG2 VAL 52 HG21 VAL 52 -12.944 -2.271 1.090 404 2HG2 VAL 52 HG23 VAL 52 -11.958 -1.405 -0.087 405 3HG2 VAL 52 HG22 VAL 52 -11.809 -3.154 0.070 406 H ILE 53 HN ILE 53 -8.821 -4.543 2.453 407 HA ILE 53 HA ILE 53 -7.786 -3.707 5.141 408 HB ILE 53 HB ILE 53 -6.635 -5.775 3.254 409 1HG1 ILE 53 HG12 ILE 53 -8.907 -6.464 3.710 410 2HG1 ILE 53 HG11 ILE 53 -7.839 -7.426 4.728 411 1HG2 ILE 53 HG23 ILE 53 -5.302 -4.802 5.224 412 2HG2 ILE 53 HG22 ILE 53 -6.445 -5.632 6.265 413 3HG2 ILE 53 HG21 ILE 53 -5.439 -6.554 5.149 414 1HD1 ILE 53 HD12 ILE 53 -8.248 -5.592 6.528 415 2HD1 ILE 53 HD11 ILE 53 -9.619 -5.126 5.525 416 3HD1 ILE 53 HD13 ILE 53 -9.543 -6.747 6.211 417 H PHE 54 HN PHE 54 -6.311 -2.077 5.196 418 HA PHE 54 HA PHE 54 -4.787 -1.417 2.700 419 1HB PHE 54 HB2 PHE 54 -5.340 0.194 5.212 420 2HB PHE 54 HB1 PHE 54 -4.284 0.731 3.910 421 HD1 PHE 54 HD1 PHE 54 -7.773 -0.449 4.581 422 HD2 PHE 54 HD2 PHE 54 -5.182 1.848 2.037 423 HE1 PHE 54 HE1 PHE 54 -9.742 0.429 3.356 424 HE2 PHE 54 HE2 PHE 54 -7.157 2.708 0.803 425 HZ PHE 54 HZ PHE 54 -9.434 1.994 1.463 426 H LEU 55 HN LEU 55 -2.628 -1.899 2.658 427 HA LEU 55 HA LEU 55 -1.259 -2.567 5.245 428 1HB LEU 55 HB2 LEU 55 -0.716 -3.540 2.431 429 2HB LEU 55 HB1 LEU 55 0.435 -3.758 3.741 430 HG LEU 55 HG LEU 55 -1.059 -5.190 4.926 431 1HD1 LEU 55 HD12 LEU 55 -3.153 -4.169 3.021 432 2HD1 LEU 55 HD11 LEU 55 -3.364 -5.695 3.876 433 3HD1 LEU 55 HD13 LEU 55 -3.159 -4.207 4.787 434 1HD2 LEU 55 HD22 LEU 55 0.105 -6.099 2.867 435 2HD2 LEU 55 HD21 LEU 55 -1.305 -7.015 3.391 436 3HD2 LEU 55 HD23 LEU 55 -1.425 -5.924 2.012 437 H GLU 56 HN GLU 56 0.600 -1.539 5.740 438 HA GLU 56 HA GLU 56 1.551 0.594 3.860 439 1HB GLU 56 HB2 GLU 56 0.601 1.345 6.095 440 2HB GLU 56 HB1 GLU 56 1.937 0.488 6.867 441 1HG GLU 56 HG2 GLU 56 3.543 1.843 5.535 442 2HG GLU 56 HG1 GLU 56 2.187 2.741 4.849 443 H VAL 57 HN VAL 57 3.597 0.313 3.122 444 HA VAL 57 HA VAL 57 5.333 -1.713 4.509 445 HB VAL 57 HB VAL 57 5.063 -1.251 1.529 446 1HG1 VAL 57 HG12 VAL 57 6.587 -3.275 3.184 447 2HG1 VAL 57 HG11 VAL 57 6.409 -3.352 1.434 448 3HG1 VAL 57 HG13 VAL 57 7.291 -2.015 2.171 449 1HG2 VAL 57 HG23 VAL 57 3.065 -2.306 2.530 450 2HG2 VAL 57 HG22 VAL 57 3.966 -3.450 1.530 451 3HG2 VAL 57 HG21 VAL 57 4.097 -3.519 3.288 452 H ASP 58 HN ASP 58 7.448 -1.164 4.771 453 HA ASP 58 HA ASP 58 8.303 1.576 3.945 454 1HB ASP 58 HB2 ASP 58 8.474 0.767 6.363 455 2HB ASP 58 HB1 ASP 58 9.704 -0.368 5.792 456 H VAL 59 HN VAL 59 9.533 1.627 2.052 457 HA VAL 59 HA VAL 59 10.642 -0.816 0.941 458 HB VAL 59 HB VAL 59 11.842 0.728 -0.619 459 1HG1 VAL 59 HG13 VAL 59 8.891 1.121 -0.095 460 2HG1 VAL 59 HG12 VAL 59 9.695 1.786 -1.516 461 3HG1 VAL 59 HG11 VAL 59 9.649 0.045 -1.268 462 1HG2 VAL 59 HG21 VAL 59 12.155 2.569 1.071 463 2HG2 VAL 59 HG23 VAL 59 11.505 3.120 -0.471 464 3HG2 VAL 59 HG22 VAL 59 10.437 2.928 0.919 465 H ASP 60 HN ASP 60 11.684 1.430 3.330 466 HA ASP 60 HA ASP 60 14.538 0.686 3.042 467 1HB ASP 60 HB2 ASP 60 13.005 2.661 4.714 468 2HB ASP 60 HB1 ASP 60 14.659 2.250 5.122 469 H ASP 61 HN ASP 61 11.930 0.263 5.492 470 HA ASP 61 HA ASP 61 13.758 -1.534 7.030 471 1HB ASP 61 HB2 ASP 61 10.939 -0.594 7.680 472 2HB ASP 61 HB1 ASP 61 11.963 -1.567 8.726 473 H ALA 62 HN ALA 62 11.261 -1.619 4.711 474 HA ALA 62 HA ALA 62 10.924 -4.570 5.112 475 1HB ALA 62 HB2 ALA 62 8.888 -2.856 5.438 476 2HB ALA 62 HB1 ALA 62 8.821 -2.974 3.681 477 3HB ALA 62 HB3 ALA 62 8.646 -4.425 4.672 478 H GLN 63 HN GLN 63 12.998 -3.293 3.651 479 HA GLN 63 HA GLN 63 12.499 -2.959 0.881 480 1HB GLN 63 HB2 GLN 63 14.887 -3.189 0.580 481 2HB GLN 63 HB1 GLN 63 14.617 -2.334 2.098 482 1HG GLN 63 HG2 GLN 63 14.795 -4.572 3.273 483 2HG GLN 63 HG1 GLN 63 15.326 -5.257 1.739 484 1HE2 GLN 63 HE22 GLN 63 18.630 -4.353 2.487 485 2HE2 GLN 63 HE21 GLN 63 17.549 -5.544 1.946 486 H ASP 64 HN ASP 64 12.623 -5.848 2.787 487 HA ASP 64 HA ASP 64 13.335 -7.663 0.680 488 1HB ASP 64 HB2 ASP 64 12.195 -9.372 2.172 489 2HB ASP 64 HB1 ASP 64 13.464 -8.436 2.956 490 H VAL 65 HN VAL 65 10.289 -6.258 1.807 491 HA VAL 65 HA VAL 65 8.601 -7.849 0.083 492 HB VAL 65 HB VAL 65 7.979 -5.087 1.167 493 1HG1 VAL 65 HG13 VAL 65 6.414 -6.127 -0.467 494 2HG1 VAL 65 HG12 VAL 65 6.220 -7.492 0.634 495 3HG1 VAL 65 HG11 VAL 65 5.684 -5.883 1.122 496 1HG2 VAL 65 HG23 VAL 65 8.105 -7.745 2.578 497 2HG2 VAL 65 HG22 VAL 65 8.662 -6.172 3.133 498 3HG2 VAL 65 HG21 VAL 65 6.939 -6.532 3.096 499 H ALA 66 HN ALA 66 9.931 -4.543 -0.118 500 HA ALA 66 HA ALA 66 8.767 -3.962 -2.689 501 1HB ALA 66 HB2 ALA 66 9.666 -2.341 -0.861 502 2HB ALA 66 HB1 ALA 66 11.227 -2.579 -1.647 503 3HB ALA 66 HB3 ALA 66 9.870 -1.910 -2.557 504 H SER 67 HN SER 67 11.949 -5.228 -1.704 505 HA SER 67 HA SER 67 13.226 -4.951 -4.234 506 1HB SER 67 HB2 SER 67 14.752 -6.708 -3.467 507 2HB SER 67 HB1 SER 67 14.411 -5.595 -2.144 508 HG SER 67 HG SER 67 13.074 -7.077 -1.241 509 H GLU 68 HN GLU 68 11.086 -7.450 -2.960 510 HA GLU 68 HA GLU 68 11.368 -9.310 -5.113 511 1HB GLU 68 HB2 GLU 68 10.270 -9.756 -2.873 512 2HB GLU 68 HB1 GLU 68 8.876 -8.844 -3.450 513 1HG GLU 68 HG2 GLU 68 10.007 -11.197 -4.981 514 2HG GLU 68 HG1 GLU 68 8.770 -11.392 -3.743 515 H ALA 69 HN ALA 69 9.331 -6.459 -4.671 516 HA ALA 69 HA ALA 69 7.895 -6.957 -7.187 517 1HB ALA 69 HB3 ALA 69 7.806 -4.649 -5.232 518 2HB ALA 69 HB2 ALA 69 6.764 -4.806 -6.645 519 3HB ALA 69 HB1 ALA 69 6.658 -5.984 -5.337 520 H GLU 70 HN GLU 70 10.913 -5.748 -6.502 521 HA GLU 70 HA GLU 70 12.403 -4.387 -7.703 522 1HB GLU 70 HB2 GLU 70 10.453 -5.116 -9.906 523 2HB GLU 70 HB1 GLU 70 11.968 -4.265 -10.182 524 1HG GLU 70 HG2 GLU 70 12.452 -6.554 -10.568 525 2HG GLU 70 HG1 GLU 70 13.113 -6.198 -8.974 526 H VAL 71 HN VAL 71 10.709 -2.863 -6.187 527 HA VAL 71 HA VAL 71 9.182 -0.966 -7.717 528 HB VAL 71 HB VAL 71 10.523 -0.488 -5.030 529 1HG1 VAL 71 HG11 VAL 71 8.166 0.751 -6.490 530 2HG1 VAL 71 HG13 VAL 71 8.470 1.004 -4.772 531 3HG1 VAL 71 HG12 VAL 71 9.650 1.550 -5.968 532 1HG2 VAL 71 HG21 VAL 71 7.887 -1.830 -5.748 533 2HG2 VAL 71 HG23 VAL 71 9.223 -2.521 -4.831 534 3HG2 VAL 71 HG22 VAL 71 8.252 -1.226 -4.133 535 H LYS 72 HN LYS 72 9.831 0.870 -8.751 536 HA LYS 72 HA LYS 72 12.751 1.452 -8.806 537 1HB LYS 72 HB2 LYS 72 10.566 2.108 -10.794 538 2HB LYS 72 HB1 LYS 72 12.264 2.521 -10.990 539 1HG LYS 72 HG2 LYS 72 11.411 -0.352 -10.530 540 2HG LYS 72 HG1 LYS 72 11.397 0.354 -12.145 541 1HD LYS 72 HD2 LYS 72 13.821 1.014 -11.772 542 2HD LYS 72 HD1 LYS 72 13.782 0.043 -10.304 543 1HE LYS 72 HE2 LYS 72 13.139 -0.997 -13.074 544 2HE LYS 72 HE1 LYS 72 14.680 -1.219 -12.246 545 1HZ LYS 72 HZ2 LYS 72 13.018 -2.075 -10.377 546 2HZ LYS 72 HZ1 LYS 72 12.110 -2.482 -11.754 547 3HZ LYS 72 HZ3 LYS 72 13.678 -3.098 -11.563 548 H ALA 73 HN ALA 73 9.720 2.715 -7.770 549 HA ALA 73 HA ALA 73 11.068 5.150 -6.852 550 1HB ALA 73 HB3 ALA 73 10.390 5.554 -9.276 551 2HB ALA 73 HB2 ALA 73 8.721 5.492 -8.710 552 3HB ALA 73 HB1 ALA 73 9.817 6.727 -8.095 553 H THR 74 HN THR 74 9.807 6.373 -5.355 554 HA THR 74 HA THR 74 7.295 5.032 -4.407 555 HB THR 74 HB THR 74 7.994 5.472 -2.116 556 HG1 THR 74 HG1 THR 74 9.014 7.311 -2.033 557 1HG2 THR 74 HG23 THR 74 9.106 3.558 -3.440 558 2HG2 THR 74 HG22 THR 74 10.536 4.592 -3.435 559 3HG2 THR 74 HG21 THR 74 9.839 4.050 -1.914 560 HA PRO 75 HA PRO 75 5.889 5.664 -2.636 561 1HB PRO 75 HB2 PRO 75 3.294 6.625 -2.673 562 2HB PRO 75 HB1 PRO 75 4.522 7.095 -1.491 563 1HG PRO 75 HG2 PRO 75 3.438 8.644 -3.771 564 2HG PRO 75 HG1 PRO 75 4.188 9.218 -2.278 565 1HD PRO 75 HD2 PRO 75 5.416 9.091 -4.841 566 2HD PRO 75 HD1 PRO 75 6.237 9.425 -3.295 567 H THR 76 HN THR 76 4.970 3.752 -3.349 568 HA THR 76 HA THR 76 3.525 3.789 -5.977 569 HB THR 76 HB THR 76 5.436 1.639 -5.031 570 HG1 THR 76 HG1 THR 76 5.848 2.973 -7.394 571 1HG2 THR 76 HG22 THR 76 3.713 1.950 -7.502 572 2HG2 THR 76 HG21 THR 76 5.044 0.798 -7.393 573 3HG2 THR 76 HG23 THR 76 3.654 0.646 -6.316 574 H PHE 77 HN PHE 77 1.611 2.864 -5.898 575 HA PHE 77 HA PHE 77 0.853 1.329 -3.447 576 1HB PHE 77 HB2 PHE 77 -0.869 2.826 -5.441 577 2HB PHE 77 HB1 PHE 77 -1.461 1.973 -4.013 578 HD1 PHE 77 HD1 PHE 77 -0.816 2.771 -1.718 579 HD2 PHE 77 HD2 PHE 77 0.179 4.972 -5.274 580 HE1 PHE 77 HE1 PHE 77 -0.363 4.789 -0.344 581 HE2 PHE 77 HE2 PHE 77 0.633 6.988 -3.900 582 HZ PHE 77 HZ PHE 77 0.362 6.895 -1.435 583 H GLN 78 HN GLN 78 0.310 -0.769 -3.689 584 HA GLN 78 HA GLN 78 -0.188 -1.807 -6.462 585 1HB GLN 78 HB2 GLN 78 1.343 -3.071 -4.181 586 2HB GLN 78 HB1 GLN 78 0.837 -3.946 -5.626 587 1HG GLN 78 HG2 GLN 78 2.066 -2.249 -7.007 588 2HG GLN 78 HG1 GLN 78 2.691 -1.549 -5.513 589 1HE2 GLN 78 HE22 GLN 78 5.399 -3.804 -6.040 590 2HE2 GLN 78 HE21 GLN 78 4.907 -2.188 -6.179 591 H PHE 79 HN PHE 79 -1.851 -3.234 -6.661 592 HA PHE 79 HA PHE 79 -3.606 -3.539 -4.246 593 1HB PHE 79 HB2 PHE 79 -4.250 -3.533 -7.203 594 2HB PHE 79 HB1 PHE 79 -5.420 -3.855 -5.920 595 HD1 PHE 79 HD2 PHE 79 -2.995 -1.324 -7.189 596 HD2 PHE 79 HD1 PHE 79 -6.379 -2.094 -4.667 597 HE1 PHE 79 HE2 PHE 79 -3.251 1.107 -6.792 598 HE2 PHE 79 HE1 PHE 79 -6.635 0.333 -4.262 599 HZ PHE 79 HZ PHE 79 -5.076 1.937 -5.326 600 H PHE 80 HN PHE 80 -4.108 -5.511 -3.534 601 HA PHE 80 HA PHE 80 -3.432 -7.879 -5.218 602 1HB PHE 80 HB2 PHE 80 -2.907 -7.414 -2.284 603 2HB PHE 80 HB1 PHE 80 -2.868 -9.018 -3.017 604 HD1 PHE 80 HD2 PHE 80 -1.217 -5.693 -2.882 605 HD2 PHE 80 HD1 PHE 80 -1.127 -9.656 -4.563 606 HE1 PHE 80 HE2 PHE 80 1.113 -5.328 -3.644 607 HE2 PHE 80 HE1 PHE 80 1.202 -9.279 -5.324 608 HZ PHE 80 HZ PHE 80 2.321 -7.114 -4.863 609 H LYS 81 HN LYS 81 -4.855 -9.662 -5.005 610 HA LYS 81 HA LYS 81 -7.195 -9.355 -3.198 611 1HB LYS 81 HB2 LYS 81 -7.566 -8.255 -5.543 612 2HB LYS 81 HB1 LYS 81 -7.633 -9.912 -6.140 613 1HG LYS 81 HG2 LYS 81 -9.448 -10.397 -4.522 614 2HG LYS 81 HG1 LYS 81 -9.404 -8.722 -3.984 615 1HD LYS 81 HD2 LYS 81 -9.847 -8.052 -6.391 616 2HD LYS 81 HD1 LYS 81 -10.145 -9.758 -6.731 617 1HE LYS 81 HE2 LYS 81 -11.919 -9.800 -5.027 618 2HE LYS 81 HE1 LYS 81 -11.616 -8.100 -4.658 619 1HZ LYS 81 HZ3 LYS 81 -12.191 -8.896 -7.428 620 2HZ LYS 81 HZ2 LYS 81 -13.475 -8.770 -6.324 621 3HZ LYS 81 HZ1 LYS 81 -12.495 -7.421 -6.648 622 H LYS 82 HN LYS 82 -7.603 -11.355 -2.334 623 HA LYS 82 HA LYS 82 -7.378 -13.670 -1.980 624 1HB LYS 82 HB2 LYS 82 -7.613 -13.697 -5.016 625 2HB LYS 82 HB1 LYS 82 -7.837 -15.089 -3.958 626 1HG LYS 82 HG2 LYS 82 -9.750 -14.051 -2.895 627 2HG LYS 82 HG1 LYS 82 -9.480 -12.552 -3.770 628 1HD LYS 82 HD2 LYS 82 -9.862 -13.760 -5.912 629 2HD LYS 82 HD1 LYS 82 -10.221 -15.222 -4.992 630 1HE LYS 82 HE2 LYS 82 -12.113 -14.131 -3.910 631 2HE LYS 82 HE1 LYS 82 -11.719 -12.603 -4.699 632 1HZ LYS 82 HZ1 LYS 82 -11.967 -13.852 -6.852 633 2HZ LYS 82 HZ3 LYS 82 -12.664 -15.110 -5.954 634 3HZ LYS 82 HZ2 LYS 82 -13.403 -13.579 -5.984 635 H GLY 83 HN GLY 83 -4.939 -12.058 -2.296 636 1HA GLY 83 HA2 GLY 83 -2.638 -12.538 -2.256 637 2HA GLY 83 HA1 GLY 83 -3.025 -14.218 -2.617 638 H GLN 84 HN GLN 84 -4.360 -11.808 -4.737 639 HA GLN 84 HA GLN 84 -2.265 -12.443 -6.778 640 1HB GLN 84 HB2 GLN 84 -5.262 -12.189 -7.153 641 2HB GLN 84 HB1 GLN 84 -4.110 -12.289 -8.481 642 1HG GLN 84 HG2 GLN 84 -4.261 -14.387 -6.309 643 2HG GLN 84 HG1 GLN 84 -5.200 -14.492 -7.796 644 1HE2 GLN 84 HE22 GLN 84 -1.447 -14.189 -9.097 645 2HE2 GLN 84 HE21 GLN 84 -2.383 -12.873 -8.562 646 H LYS 85 HN LYS 85 -1.391 -10.744 -7.857 647 HA LYS 85 HA LYS 85 -2.090 -8.004 -7.072 648 1HB LYS 85 HB2 LYS 85 0.243 -8.709 -7.498 649 2HB LYS 85 HB1 LYS 85 -0.170 -9.064 -9.175 650 1HG LYS 85 HG2 LYS 85 -0.829 -6.659 -9.461 651 2HG LYS 85 HG1 LYS 85 -0.255 -6.350 -7.823 652 1HD LYS 85 HD2 LYS 85 1.989 -7.191 -8.471 653 2HD LYS 85 HD1 LYS 85 1.404 -7.434 -10.116 654 1HE LYS 85 HE2 LYS 85 1.484 -4.780 -8.657 655 2HE LYS 85 HE1 LYS 85 2.603 -5.291 -9.919 656 1HZ LYS 85 HZ1 LYS 85 0.417 -5.679 -11.240 657 2HZ LYS 85 HZ3 LYS 85 -0.235 -4.571 -10.134 658 3HZ LYS 85 HZ2 LYS 85 1.072 -4.116 -11.121 659 H VAL 86 HN VAL 86 -3.580 -6.761 -8.102 660 HA VAL 86 HA VAL 86 -4.344 -7.475 -10.912 661 HB VAL 86 HB VAL 86 -6.639 -6.696 -10.351 662 1HG1 VAL 86 HG12 VAL 86 -5.861 -9.117 -10.182 663 2HG1 VAL 86 HG11 VAL 86 -5.727 -8.859 -8.442 664 3HG1 VAL 86 HG13 VAL 86 -7.293 -8.711 -9.238 665 1HG2 VAL 86 HG21 VAL 86 -5.540 -6.657 -7.521 666 2HG2 VAL 86 HG23 VAL 86 -6.032 -5.240 -8.448 667 3HG2 VAL 86 HG22 VAL 86 -7.232 -6.441 -7.967 668 H GLY 87 HN GLY 87 -2.754 -5.134 -9.206 669 1HA GLY 87 HA2 GLY 87 -2.977 -3.234 -11.333 670 2HA GLY 87 HA1 GLY 87 -4.063 -2.737 -10.040 671 H GLU 88 HN GLU 88 -1.889 -1.201 -10.895 672 HA GLU 88 HA GLU 88 -0.544 -0.699 -8.396 673 1HB GLU 88 HB2 GLU 88 0.829 -2.568 -8.986 674 2HB GLU 88 HB1 GLU 88 0.971 -2.023 -10.649 675 1HG GLU 88 HG2 GLU 88 2.009 -0.356 -8.351 676 2HG GLU 88 HG1 GLU 88 2.982 -1.638 -9.073 677 H PHE 89 HN PHE 89 0.492 1.340 -8.405 678 HA PHE 89 HA PHE 89 1.037 2.720 -10.909 679 1HB PHE 89 HB2 PHE 89 -0.550 4.490 -10.815 680 2HB PHE 89 HB1 PHE 89 -1.478 3.006 -10.674 681 HD1 PHE 89 HD1 PHE 89 -0.064 5.869 -8.768 682 HD2 PHE 89 HD2 PHE 89 -2.749 2.525 -8.708 683 HE1 PHE 89 HE1 PHE 89 -1.080 6.729 -6.668 684 HE2 PHE 89 HE2 PHE 89 -3.762 3.376 -6.610 685 HZ PHE 89 HZ PHE 89 -2.933 5.485 -5.595 686 H SER 90 HN SER 90 1.971 4.866 -10.521 687 HA SER 90 HA SER 90 2.997 5.199 -7.718 688 1HB SER 90 HB2 SER 90 5.116 5.965 -8.701 689 2HB SER 90 HB1 SER 90 4.758 4.313 -9.206 690 HG SER 90 HG SER 90 4.843 6.664 -10.658 691 H GLY 91 HN GLY 91 3.657 7.407 -7.214 692 1HA GLY 91 HA2 GLY 91 3.706 9.782 -8.060 693 2HA GLY 91 HA1 GLY 91 2.141 9.466 -8.801 694 H ALA 92 HN ALA 92 3.005 11.381 -6.586 695 HA ALA 92 HA ALA 92 1.685 10.336 -4.201 696 1HB ALA 92 HB1 ALA 92 2.648 13.099 -4.982 697 2HB ALA 92 HB3 ALA 92 1.939 12.727 -3.414 698 3HB ALA 92 HB2 ALA 92 3.448 11.956 -3.908 699 H ASN 93 HN ASN 93 -0.287 9.818 -5.740 700 HA ASN 93 HA ASN 93 -2.171 12.159 -5.665 701 1HB ASN 93 HB2 ASN 93 -1.613 11.268 -7.971 702 2HB ASN 93 HB1 ASN 93 -2.377 9.753 -7.489 703 1HD2 ASN 93 HD22 ASN 93 -5.265 12.445 -6.920 704 2HD2 ASN 93 HD21 ASN 93 -3.983 12.191 -5.837 705 H LYS 94 HN LYS 94 -3.029 11.767 -3.635 706 HA LYS 94 HA LYS 94 -3.731 9.143 -2.657 707 1HB LYS 94 HB2 LYS 94 -4.990 10.450 -0.940 708 2HB LYS 94 HB1 LYS 94 -3.295 10.888 -1.095 709 1HG LYS 94 HG2 LYS 94 -5.001 12.480 -2.900 710 2HG LYS 94 HG1 LYS 94 -5.493 12.663 -1.222 711 1HD LYS 94 HD2 LYS 94 -3.037 13.107 -0.679 712 2HD LYS 94 HD1 LYS 94 -2.762 13.202 -2.420 713 1HE LYS 94 HE2 LYS 94 -4.415 15.022 -2.577 714 2HE LYS 94 HE1 LYS 94 -4.709 14.905 -0.840 715 1HZ LYS 94 HZ1 LYS 94 -2.001 15.381 -1.940 716 2HZ LYS 94 HZ3 LYS 94 -3.067 16.660 -1.612 717 3HZ LYS 94 HZ2 LYS 94 -2.557 15.638 -0.355 718 H GLU 95 HN GLU 95 -5.560 11.619 -4.436 719 HA GLU 95 HA GLU 95 -8.154 10.502 -4.000 720 1HB GLU 95 HB2 GLU 95 -7.089 12.072 -6.366 721 2HB GLU 95 HB1 GLU 95 -8.791 11.764 -6.039 722 1HG GLU 95 HG2 GLU 95 -6.945 13.155 -4.087 723 2HG GLU 95 HG1 GLU 95 -7.985 14.010 -5.229 724 H LYS 96 HN LYS 96 -5.557 9.726 -6.170 725 HA LYS 96 HA LYS 96 -6.930 8.143 -8.079 726 1HB LYS 96 HB2 LYS 96 -4.554 8.967 -8.125 727 2HB LYS 96 HB1 LYS 96 -4.145 7.692 -6.998 728 1HG LYS 96 HG2 LYS 96 -4.617 5.983 -8.540 729 2HG LYS 96 HG1 LYS 96 -5.540 7.053 -9.593 730 1HD LYS 96 HD2 LYS 96 -2.626 7.654 -9.084 731 2HD LYS 96 HD1 LYS 96 -3.055 6.385 -10.234 732 1HE LYS 96 HE2 LYS 96 -4.191 9.190 -10.377 733 2HE LYS 96 HE1 LYS 96 -2.749 8.683 -11.251 734 1HZ LYS 96 HZ3 LYS 96 -4.132 6.857 -12.198 735 2HZ LYS 96 HZ2 LYS 96 -5.495 7.610 -11.520 736 3HZ LYS 96 HZ1 LYS 96 -4.574 8.415 -12.699 737 H LEU 97 HN LEU 97 -5.648 7.364 -4.877 738 HA LEU 97 HA LEU 97 -5.940 4.543 -4.926 739 1HB LEU 97 HB2 LEU 97 -6.265 6.603 -2.734 740 2HB LEU 97 HB1 LEU 97 -6.412 4.885 -2.406 741 HG LEU 97 HG LEU 97 -3.986 6.171 -3.669 742 1HD1 LEU 97 HD13 LEU 97 -4.679 5.512 -0.802 743 2HD1 LEU 97 HD12 LEU 97 -3.007 5.660 -1.341 744 3HD1 LEU 97 HD11 LEU 97 -4.098 7.043 -1.461 745 1HD2 LEU 97 HD23 LEU 97 -4.690 3.379 -2.739 746 2HD2 LEU 97 HD22 LEU 97 -3.899 3.873 -4.235 747 3HD2 LEU 97 HD21 LEU 97 -3.015 3.914 -2.721 748 H GLU 98 HN GLU 98 -8.190 7.135 -4.250 749 HA GLU 98 HA GLU 98 -10.371 5.540 -3.364 750 1HB GLU 98 HB2 GLU 98 -10.239 8.008 -3.146 751 2HB GLU 98 HB1 GLU 98 -10.480 8.159 -4.884 752 1HG GLU 98 HG2 GLU 98 -12.445 6.668 -3.143 753 2HG GLU 98 HG1 GLU 98 -12.557 8.410 -3.373 754 H ALA 99 HN ALA 99 -9.531 6.624 -6.655 755 HA ALA 99 HA ALA 99 -11.879 5.488 -7.850 756 1HB ALA 99 HB3 ALA 99 -10.458 7.249 -8.904 757 2HB ALA 99 HB2 ALA 99 -9.211 6.033 -9.176 758 3HB ALA 99 HB1 ALA 99 -10.775 5.886 -9.977 759 H THR 100 HN THR 100 -8.567 4.180 -7.514 760 HA THR 100 HA THR 100 -9.108 1.798 -9.012 761 HB THR 100 HB THR 100 -7.117 2.069 -6.744 762 HG1 THR 100 HG1 THR 100 -7.297 3.297 -9.174 763 1HG2 THR 100 HG23 THR 100 -7.293 0.351 -9.233 764 2HG2 THR 100 HG22 THR 100 -5.838 0.487 -8.246 765 3HG2 THR 100 HG21 THR 100 -7.314 -0.194 -7.557 766 H ILE 101 HN ILE 101 -9.406 2.552 -5.558 767 HA ILE 101 HA ILE 101 -10.048 -0.081 -4.633 768 HB ILE 101 HB ILE 101 -10.882 2.668 -3.634 769 1HG1 ILE 101 HG12 ILE 101 -8.902 0.728 -2.416 770 2HG1 ILE 101 HG11 ILE 101 -8.416 1.917 -3.621 771 1HG2 ILE 101 HG22 ILE 101 -11.262 -0.077 -2.396 772 2HG2 ILE 101 HG21 ILE 101 -11.372 1.425 -1.478 773 3HG2 ILE 101 HG23 ILE 101 -12.514 1.105 -2.781 774 1HD1 ILE 101 HD13 ILE 101 -9.411 3.710 -2.153 775 2HD1 ILE 101 HD12 ILE 101 -9.677 2.477 -0.919 776 3HD1 ILE 101 HD11 ILE 101 -8.036 2.878 -1.426 777 H ASN 102 HN ASN 102 -12.104 2.632 -5.644 778 HA ASN 102 HA ASN 102 -14.605 1.294 -5.434 779 1HB ASN 102 HB2 ASN 102 -14.358 3.750 -5.730 780 2HB ASN 102 HB1 ASN 102 -13.790 3.477 -7.380 781 1HD2 ASN 102 HD22 ASN 102 -17.732 3.575 -6.683 782 2HD2 ASN 102 HD21 ASN 102 -16.569 4.099 -5.563 783 H GLU 103 HN GLU 103 -12.186 1.446 -7.963 784 HA GLU 103 HA GLU 103 -13.708 0.195 -10.042 785 1HB GLU 103 HB2 GLU 103 -11.526 1.497 -10.248 786 2HB GLU 103 HB1 GLU 103 -10.714 0.067 -9.621 787 1HG GLU 103 HG2 GLU 103 -11.787 -1.272 -11.474 788 2HG GLU 103 HG1 GLU 103 -12.332 0.255 -12.170 789 H LEU 104 HN LEU 104 -11.521 -1.095 -7.537 790 HA LEU 104 HA LEU 104 -12.111 -3.870 -8.462 791 1HB LEU 104 HB2 LEU 104 -10.110 -2.839 -6.440 792 2HB LEU 104 HB1 LEU 104 -10.265 -4.516 -6.956 793 HG LEU 104 HG LEU 104 -9.636 -2.186 -8.792 794 1HD1 LEU 104 HD13 LEU 104 -7.890 -4.242 -7.433 795 2HD1 LEU 104 HD12 LEU 104 -7.366 -3.361 -8.870 796 3HD1 LEU 104 HD11 LEU 104 -7.747 -2.486 -7.389 797 1HD2 LEU 104 HD21 LEU 104 -10.029 -5.150 -9.200 798 2HD2 LEU 104 HD23 LEU 104 -10.564 -3.806 -10.210 799 3HD2 LEU 104 HD22 LEU 104 -8.872 -4.297 -10.220 800 H VAL 105 HN VAL 105 -13.552 -1.751 -6.335 801 HA VAL 105 HA VAL 105 -13.765 -3.420 -3.982 802 HB VAL 105 HB VAL 105 -14.345 -0.929 -4.113 803 1HG1 VAL 105 HG13 VAL 105 -15.911 -1.425 -6.167 804 2HG1 VAL 105 HG12 VAL 105 -17.103 -1.819 -4.930 805 3HG1 VAL 105 HG11 VAL 105 -16.392 -0.205 -4.988 806 1HG2 VAL 105 HG22 VAL 105 -16.329 -2.863 -2.886 807 2HG2 VAL 105 HG21 VAL 105 -14.838 -2.290 -2.142 808 3HG2 VAL 105 HG23 VAL 105 -16.167 -1.166 -2.432 809 HA PRO 59 HA PRO 106 14.784 15.838 -13.207 810 1HB PRO 59 HB2 PRO 106 17.184 15.917 -11.405 811 2HB PRO 59 HB1 PRO 106 17.010 15.199 -13.021 812 1HG PRO 59 HG2 PRO 106 18.300 17.494 -12.688 813 2HG PRO 59 HG1 PRO 106 17.251 17.235 -14.095 814 1HD PRO 59 HD2 PRO 106 16.731 18.874 -11.637 815 2HD PRO 59 HD1 PRO 106 16.226 19.170 -13.317 816 H ALA 60 HN ALA 107 15.048 17.174 -9.958 817 HA ALA 60 HA ALA 107 14.133 14.606 -8.755 818 1HB ALA 60 HB2 ALA 107 15.099 17.216 -7.552 819 2HB ALA 60 HB1 ALA 107 14.504 15.859 -6.595 820 3HB ALA 60 HB3 ALA 107 15.957 15.676 -7.577 821 H THR 61 HN THR 108 11.982 14.333 -8.544 822 HA THR 61 HA THR 108 10.201 16.743 -8.462 823 HB THR 61 HB THR 108 9.414 13.848 -8.926 824 HG1 THR 61 HG1 THR 108 9.600 15.734 -10.972 825 1HG2 THR 61 HG21 THR 108 7.721 15.664 -8.224 826 2HG2 THR 61 HG23 THR 108 8.019 16.369 -9.812 827 3HG2 THR 61 HG22 THR 108 7.355 14.741 -9.684 828 H LEU 62 HN LEU 109 9.168 17.201 -6.574 829 HA LEU 62 HA LEU 109 9.725 15.739 -4.171 830 1HB LEU 62 HB2 LEU 109 7.635 17.838 -4.824 831 2HB LEU 62 HB1 LEU 109 7.881 17.197 -3.203 832 HG LEU 62 HG LEU 109 10.192 18.355 -4.771 833 1HD1 LEU 62 HD12 LEU 109 8.195 19.849 -3.041 834 2HD1 LEU 62 HD11 LEU 109 9.758 20.502 -3.537 835 3HD1 LEU 62 HD13 LEU 109 8.533 20.129 -4.750 836 1HD2 LEU 62 HD23 LEU 109 9.584 17.899 -1.831 837 2HD2 LEU 62 HD22 LEU 109 10.877 17.179 -2.789 838 3HD2 LEU 62 HD21 LEU 109 10.932 18.892 -2.383 839 H LYS 63 HN LYS 110 7.125 15.605 -6.522 840 HA LYS 63 HA LYS 110 5.240 14.119 -4.976 841 1HB LYS 63 HB2 LYS 110 5.731 14.060 -7.966 842 2HB LYS 63 HB1 LYS 110 4.279 13.473 -7.159 843 1HG LYS 63 HG2 LYS 110 5.226 16.317 -6.792 844 2HG LYS 63 HG1 LYS 110 4.220 15.862 -8.165 845 1HD LYS 63 HD2 LYS 110 2.550 14.907 -6.531 846 2HD LYS 63 HD1 LYS 110 3.517 15.594 -5.225 847 1HE LYS 63 HE2 LYS 110 3.222 17.838 -6.131 848 2HE LYS 63 HE1 LYS 110 2.340 17.188 -7.514 849 1HZ LYS 63 HZ3 LYS 110 1.447 16.626 -4.762 850 2HZ LYS 63 HZ2 LYS 110 1.019 18.083 -5.525 851 3HZ LYS 63 HZ1 LYS 110 0.549 16.595 -6.200 852 H ILE 64 HN ILE 111 8.220 13.172 -6.461 853 HA ILE 64 HA ILE 111 7.664 10.304 -5.732 854 HB ILE 64 HB ILE 111 9.128 11.395 -8.166 855 1HG1 ILE 64 HG12 ILE 111 6.684 11.331 -8.401 856 2HG1 ILE 64 HG11 ILE 111 7.429 10.107 -9.424 857 1HG2 ILE 64 HG22 ILE 111 8.978 8.609 -7.018 858 2HG2 ILE 64 HG21 ILE 111 9.341 8.905 -8.721 859 3HG2 ILE 64 HG23 ILE 111 10.416 9.528 -7.468 860 1HD1 ILE 64 HD13 ILE 111 7.024 8.602 -7.216 861 2HD1 ILE 64 HD12 ILE 111 5.744 9.781 -6.991 862 3HD1 ILE 64 HD11 ILE 111 5.790 8.806 -8.454 863 H CYS 65 HN CYS 112 9.379 9.302 -4.592 864 HA CYS 65 HA CYS 112 11.732 11.034 -3.962 865 1HB CYS 65 HB2 CYS 112 11.025 8.450 -2.549 866 2HB CYS 65 HB1 CYS 112 12.066 9.738 -1.982 867 H SER 66 HN SER 113 13.739 10.408 -4.774 868 HA SER 66 HA SER 113 13.770 8.148 -6.651 869 1HB SER 66 HB2 SER 113 15.961 10.075 -5.829 870 2HB SER 66 HB1 SER 113 16.051 8.936 -7.169 871 HG SER 66 HG SER 113 14.224 10.002 -8.064 872 H TRP 67 HN TRP 114 14.871 6.216 -6.397 873 HA TRP 67 HA TRP 114 15.570 5.378 -3.704 874 1HB TRP 67 HB2 TRP 114 15.846 4.008 -6.394 875 2HB TRP 67 HB1 TRP 114 16.304 3.250 -4.868 876 HD1 TRP 67 HD1 TRP 114 13.209 5.270 -6.020 877 HE1 TRP 67 HE1 TRP 114 11.104 4.029 -5.218 878 HE3 TRP 67 HE3 TRP 114 15.349 1.243 -3.750 879 HZ2 TRP 67 HZ2 TRP 114 10.436 1.675 -3.783 880 HZ3 TRP 67 HZ3 TRP 114 13.956 -0.483 -2.674 881 HH2 TRP 67 HH2 TRP 114 11.491 -0.275 -2.698 882 H ASN 68 HN ASN 115 17.257 7.108 -6.051 883 HA ASN 68 HA ASN 115 19.880 6.056 -5.924 884 1HB ASN 68 HB2 ASN 115 18.913 8.926 -6.102 885 2HB ASN 68 HB1 ASN 115 20.608 8.460 -6.279 886 1HD2 ASN 68 HD22 ASN 115 18.733 6.357 -9.119 887 2HD2 ASN 68 HD21 ASN 115 18.734 5.925 -7.477 888 H VAL 69 HN VAL 116 17.947 7.303 -3.417 889 HA VAL 69 HA VAL 116 19.893 8.555 -1.756 890 HB VAL 69 HB VAL 116 18.366 7.876 0.138 891 1HG1 VAL 69 HG13 VAL 116 18.054 9.929 -1.315 892 2HG1 VAL 69 HG12 VAL 116 16.885 9.000 -2.254 893 3HG1 VAL 69 HG11 VAL 116 16.582 9.335 -0.549 894 1HG2 VAL 69 HG23 VAL 116 16.841 6.560 -2.139 895 2HG2 VAL 69 HG22 VAL 116 17.595 5.725 -0.785 896 3HG2 VAL 69 HG21 VAL 116 16.219 6.788 -0.508 897 H ASP 70 HN ASP 117 21.412 7.718 -0.340 898 HA ASP 70 HA ASP 117 22.446 5.110 -0.820 899 1HB ASP 70 HB2 ASP 117 22.817 7.053 1.474 900 2HB ASP 70 HB1 ASP 117 23.674 5.510 1.393 901 H GLY 71 HN GLY 118 20.252 6.339 1.686 902 1HA GLY 71 HA2 GLY 118 18.678 5.128 2.960 903 2HA GLY 71 HA1 GLY 118 19.120 3.684 2.046 No H/Q in entry = 903 Start of MODEL 3 1 1H MET 1 HT3 MET 1 -8.817 -1.705 7.748 2 2H MET 1 HT2 MET 1 -8.475 -3.102 8.654 3 3H MET 1 HT1 MET 1 -9.786 -2.109 9.081 4 HA MET 1 HA MET 1 -8.362 -0.356 9.771 5 1HB MET 1 HB2 MET 1 -7.347 -3.054 10.731 6 2HB MET 1 HB1 MET 1 -7.059 -1.518 11.548 7 1HG MET 1 HG2 MET 1 -9.801 -2.678 10.978 8 2HG MET 1 HG1 MET 1 -8.974 -2.779 12.532 9 1HE MET 1 HE2 MET 1 -7.877 -0.617 13.602 10 2HE MET 1 HE1 MET 1 -9.087 0.562 14.098 11 3HE MET 1 HE3 MET 1 -9.371 -1.166 14.358 12 H VAL 2 HN VAL 2 -5.817 -0.255 10.523 13 HA VAL 2 HA VAL 2 -4.292 -0.382 7.956 14 HB VAL 2 HB VAL 2 -3.837 1.111 10.558 15 1HG1 VAL 2 HG11 VAL 2 -2.101 0.768 8.109 16 2HG1 VAL 2 HG13 VAL 2 -1.993 2.221 9.102 17 3HG1 VAL 2 HG12 VAL 2 -1.645 0.644 9.808 18 1HG2 VAL 2 HG23 VAL 2 -5.611 1.834 8.817 19 2HG2 VAL 2 HG22 VAL 2 -4.436 3.042 9.317 20 3HG2 VAL 2 HG21 VAL 2 -4.246 2.220 7.773 21 H LYS 3 HN LYS 3 -2.498 -1.730 7.765 22 HA LYS 3 HA LYS 3 -1.533 -3.164 10.214 23 1HB LYS 3 HB2 LYS 3 -3.066 -4.588 8.817 24 2HB LYS 3 HB1 LYS 3 -1.966 -4.372 7.461 25 1HG LYS 3 HG2 LYS 3 -1.248 -6.419 8.338 26 2HG LYS 3 HG1 LYS 3 -0.149 -5.294 9.126 27 1HD LYS 3 HD2 LYS 3 -1.600 -5.269 11.125 28 2HD LYS 3 HD1 LYS 3 -2.710 -6.382 10.327 29 1HE LYS 3 HE2 LYS 3 -0.920 -8.070 10.180 30 2HE LYS 3 HE1 LYS 3 0.198 -6.956 10.967 31 1HZ LYS 3 HZ1 LYS 3 -2.107 -7.109 12.531 32 2HZ LYS 3 HZ3 LYS 3 -1.649 -8.698 12.155 33 3HZ LYS 3 HZ2 LYS 3 -0.544 -7.655 12.911 34 H GLN 4 HN GLN 4 0.674 -3.041 10.400 35 HA GLN 4 HA GLN 4 2.213 -1.935 8.089 36 1HB GLN 4 HB2 GLN 4 2.431 -0.814 10.305 37 2HB GLN 4 HB1 GLN 4 3.035 -2.322 10.986 38 1HG GLN 4 HG2 GLN 4 4.931 -2.282 9.377 39 2HG GLN 4 HG1 GLN 4 4.334 -0.748 8.738 40 1HE2 GLN 4 HE22 GLN 4 6.483 0.772 11.112 41 2HE2 GLN 4 HE21 GLN 4 6.180 0.489 9.465 42 H ILE 5 HN ILE 5 3.398 -3.342 6.890 43 HA ILE 5 HA ILE 5 4.001 -6.055 8.008 44 HB ILE 5 HB ILE 5 4.277 -5.104 5.154 45 1HG1 ILE 5 HG12 ILE 5 1.945 -4.824 5.738 46 2HG1 ILE 5 HG11 ILE 5 2.094 -6.311 4.805 47 1HG2 ILE 5 HG23 ILE 5 4.109 -7.824 6.463 48 2HG2 ILE 5 HG22 ILE 5 4.115 -7.537 4.732 49 3HG2 ILE 5 HG21 ILE 5 5.526 -7.111 5.689 50 1HD1 ILE 5 HD12 ILE 5 2.326 -7.489 7.110 51 2HD1 ILE 5 HD11 ILE 5 1.664 -5.995 7.771 52 3HD1 ILE 5 HD13 ILE 5 0.726 -6.942 6.618 53 H GLU 6 HN GLU 6 6.032 -6.160 8.885 54 HA GLU 6 HA GLU 6 8.151 -4.354 7.828 55 1HB GLU 6 HB2 GLU 6 8.128 -6.152 10.265 56 2HB GLU 6 HB1 GLU 6 9.408 -5.017 9.832 57 1HG GLU 6 HG2 GLU 6 6.543 -4.151 10.239 58 2HG GLU 6 HG1 GLU 6 7.723 -4.172 11.548 59 H SER 7 HN SER 7 7.029 -7.412 7.147 60 HA SER 7 HA SER 7 9.646 -8.132 5.962 61 1HB SER 7 HB2 SER 7 9.641 -10.387 6.978 62 2HB SER 7 HB1 SER 7 9.763 -9.127 8.209 63 HG SER 7 HG SER 7 7.993 -9.908 9.006 64 H LYS 8 HN LYS 8 9.476 -9.773 4.325 65 HA LYS 8 HA LYS 8 7.011 -9.773 2.847 66 1HB LYS 8 HB2 LYS 8 9.333 -10.225 1.895 67 2HB LYS 8 HB1 LYS 8 9.218 -11.831 2.613 68 1HG LYS 8 HG2 LYS 8 6.976 -12.046 1.366 69 2HG LYS 8 HG1 LYS 8 7.491 -10.629 0.451 70 1HD LYS 8 HD2 LYS 8 9.138 -13.163 0.701 71 2HD LYS 8 HD1 LYS 8 8.063 -12.817 -0.653 72 1HE LYS 8 HE2 LYS 8 9.352 -10.655 -0.982 73 2HE LYS 8 HE1 LYS 8 10.523 -11.269 0.185 74 1HZ LYS 8 HZ2 LYS 8 9.745 -13.020 -2.024 75 2HZ LYS 8 HZ1 LYS 8 10.778 -11.718 -2.376 76 3HZ LYS 8 HZ3 LYS 8 11.238 -12.878 -1.227 77 H THR 9 HN THR 9 8.421 -11.898 5.257 78 HA THR 9 HA THR 9 6.750 -14.150 4.884 79 HB THR 9 HB THR 9 7.720 -13.066 7.542 80 HG1 THR 9 HG1 THR 9 9.503 -13.308 6.308 81 1HG2 THR 9 HG23 THR 9 6.859 -15.801 6.581 82 2HG2 THR 9 HG22 THR 9 7.730 -15.538 8.091 83 3HG2 THR 9 HG21 THR 9 6.127 -14.838 7.862 84 H ALA 10 HN ALA 10 6.243 -11.272 6.919 85 HA ALA 10 HA ALA 10 3.574 -12.056 7.706 86 1HB ALA 10 HB2 ALA 10 5.120 -9.461 7.790 87 2HB ALA 10 HB1 ALA 10 3.412 -9.506 8.228 88 3HB ALA 10 HB3 ALA 10 4.579 -10.462 9.137 89 H PHE 11 HN PHE 11 4.922 -10.301 4.977 90 HA PHE 11 HA PHE 11 2.546 -9.067 4.003 91 1HB PHE 11 HB2 PHE 11 4.926 -8.794 3.103 92 2HB PHE 11 HB1 PHE 11 4.726 -10.341 2.310 93 HD1 PHE 11 HD1 PHE 11 2.865 -7.095 2.694 94 HD2 PHE 11 HD2 PHE 11 3.981 -10.335 0.099 95 HE1 PHE 11 HE1 PHE 11 1.726 -5.977 0.800 96 HE2 PHE 11 HE2 PHE 11 2.833 -9.215 -1.791 97 HZ PHE 11 HZ PHE 11 1.702 -7.038 -1.441 98 H GLN 12 HN GLN 12 3.913 -12.296 3.433 99 HA GLN 12 HA GLN 12 1.852 -13.190 1.640 100 1HB GLN 12 HB2 GLN 12 3.648 -14.747 3.540 101 2HB GLN 12 HB1 GLN 12 2.700 -15.461 2.234 102 1HG GLN 12 HG2 GLN 12 4.839 -13.344 1.868 103 2HG GLN 12 HG1 GLN 12 5.065 -15.069 1.571 104 1HE2 GLN 12 HE22 GLN 12 3.543 -12.853 -1.360 105 2HE2 GLN 12 HE21 GLN 12 4.397 -12.233 -0.031 106 H GLU 13 HN GLU 13 2.266 -13.371 5.158 107 HA GLU 13 HA GLU 13 -0.091 -14.920 5.689 108 1HB GLU 13 HB2 GLU 13 1.434 -12.942 7.415 109 2HB GLU 13 HB1 GLU 13 0.184 -14.018 8.021 110 1HG GLU 13 HG2 GLU 13 2.717 -14.928 6.627 111 2HG GLU 13 HG1 GLU 13 2.470 -14.938 8.371 112 H ALA 14 HN ALA 14 0.467 -11.442 5.392 113 HA ALA 14 HA ALA 14 -2.139 -10.653 6.315 114 1HB ALA 14 HB1 ALA 14 -0.042 -9.185 6.010 115 2HB ALA 14 HB3 ALA 14 -0.481 -9.122 4.302 116 3HB ALA 14 HB2 ALA 14 -1.584 -8.483 5.521 117 H LEU 15 HN LEU 15 -0.797 -11.339 3.096 118 HA LEU 15 HA LEU 15 -3.116 -10.646 1.604 119 1HB LEU 15 HB2 LEU 15 -0.925 -12.678 1.113 120 2HB LEU 15 HB1 LEU 15 -2.163 -12.300 -0.080 121 HG LEU 15 HG LEU 15 -0.444 -10.159 1.190 122 1HD1 LEU 15 HD12 LEU 15 0.135 -11.942 -1.171 123 2HD1 LEU 15 HD11 LEU 15 0.800 -10.314 -1.087 124 3HD1 LEU 15 HD13 LEU 15 1.196 -11.492 0.165 125 1HD2 LEU 15 HD22 LEU 15 -2.332 -10.309 -1.161 126 2HD2 LEU 15 HD21 LEU 15 -2.237 -9.099 0.115 127 3HD2 LEU 15 HD23 LEU 15 -1.028 -9.125 -1.165 128 H ASP 16 HN ASP 16 -2.120 -13.640 3.201 129 HA ASP 16 HA ASP 16 -4.369 -15.185 2.295 130 1HB ASP 16 HB2 ASP 16 -2.177 -16.093 3.209 131 2HB ASP 16 HB1 ASP 16 -2.770 -15.666 4.817 132 H ALA 17 HN ALA 17 -3.754 -13.239 5.203 133 HA ALA 17 HA ALA 17 -6.148 -14.045 6.580 134 1HB ALA 17 HB2 ALA 17 -4.238 -12.962 7.729 135 2HB ALA 17 HB1 ALA 17 -4.575 -11.467 6.857 136 3HB ALA 17 HB3 ALA 17 -5.746 -12.095 8.016 137 H ALA 18 HN ALA 18 -5.433 -11.417 4.322 138 HA ALA 18 HA ALA 18 -7.872 -9.987 4.632 139 1HB ALA 18 HB1 ALA 18 -6.022 -10.335 2.268 140 2HB ALA 18 HB3 ALA 18 -7.427 -9.272 2.227 141 3HB ALA 18 HB2 ALA 18 -6.120 -8.960 3.369 142 H GLY 19 HN GLY 19 -7.090 -12.923 2.870 143 1HA GLY 19 HA2 GLY 19 -8.509 -14.500 1.870 144 2HA GLY 19 HA1 GLY 19 -9.845 -13.709 2.707 145 H ASP 20 HN ASP 20 -11.357 -13.148 1.227 146 HA ASP 20 HA ASP 20 -10.565 -12.452 -1.530 147 1HB ASP 20 HB2 ASP 20 -13.297 -12.700 -0.240 148 2HB ASP 20 HB1 ASP 20 -12.995 -12.459 -1.962 149 H LYS 21 HN LYS 21 -10.749 -10.697 1.269 150 HA LYS 21 HA LYS 21 -12.253 -8.390 0.340 151 1HB LYS 21 HB2 LYS 21 -10.207 -8.726 2.557 152 2HB LYS 21 HB1 LYS 21 -11.071 -7.220 2.250 153 1HG LYS 21 HG2 LYS 21 -13.224 -8.671 2.420 154 2HG LYS 21 HG1 LYS 21 -12.178 -9.868 3.183 155 1HD LYS 21 HD2 LYS 21 -11.422 -7.927 4.726 156 2HD LYS 21 HD1 LYS 21 -12.850 -7.080 4.131 157 1HE LYS 21 HE2 LYS 21 -14.162 -9.201 4.776 158 2HE LYS 21 HE1 LYS 21 -12.724 -9.665 5.687 159 1HZ LYS 21 HZ1 LYS 21 -12.938 -7.273 6.624 160 2HZ LYS 21 HZ3 LYS 21 -14.554 -7.407 6.127 161 3HZ LYS 21 HZ2 LYS 21 -13.916 -8.514 7.248 162 H LEU 22 HN LEU 22 -11.382 -6.383 -0.430 163 HA LEU 22 HA LEU 22 -9.200 -6.606 -2.233 164 1HB LEU 22 HB2 LEU 22 -11.193 -4.758 -1.755 165 2HB LEU 22 HB1 LEU 22 -9.784 -3.899 -1.159 166 HG LEU 22 HG LEU 22 -10.177 -5.024 -3.935 167 1HD1 LEU 22 HD12 LEU 22 -10.562 -2.369 -2.692 168 2HD1 LEU 22 HD11 LEU 22 -9.524 -2.312 -4.111 169 3HD1 LEU 22 HD13 LEU 22 -11.145 -2.988 -4.231 170 1HD2 LEU 22 HD22 LEU 22 -7.738 -3.894 -2.559 171 2HD2 LEU 22 HD21 LEU 22 -7.860 -5.336 -3.568 172 3HD2 LEU 22 HD23 LEU 22 -7.932 -3.736 -4.299 173 H VAL 23 HN VAL 23 -7.042 -5.577 -2.003 174 HA VAL 23 HA VAL 23 -6.182 -4.999 0.779 175 HB VAL 23 HB VAL 23 -4.848 -7.033 -1.036 176 1HG1 VAL 23 HG12 VAL 23 -4.125 -5.830 1.638 177 2HG1 VAL 23 HG11 VAL 23 -3.467 -7.376 1.106 178 3HG1 VAL 23 HG13 VAL 23 -3.139 -5.911 0.181 179 1HG2 VAL 23 HG23 VAL 23 -6.404 -7.296 1.548 180 2HG2 VAL 23 HG22 VAL 23 -6.822 -7.991 -0.019 181 3HG2 VAL 23 HG21 VAL 23 -5.416 -8.585 0.863 182 H VAL 24 HN VAL 24 -5.370 -2.993 0.528 183 HA VAL 24 HA VAL 24 -3.881 -2.327 -1.964 184 HB VAL 24 HB VAL 24 -4.757 -0.484 0.287 185 1HG1 VAL 24 HG13 VAL 24 -2.884 0.226 -1.294 186 2HG1 VAL 24 HG12 VAL 24 -4.076 0.162 -2.592 187 3HG1 VAL 24 HG11 VAL 24 -4.289 1.291 -1.255 188 1HG2 VAL 24 HG22 VAL 24 -6.135 -1.333 -2.266 189 2HG2 VAL 24 HG21 VAL 24 -6.767 -1.388 -0.623 190 3HG2 VAL 24 HG23 VAL 24 -6.545 0.163 -1.428 191 H VAL 25 HN VAL 25 -1.677 -1.805 -1.856 192 HA VAL 25 HA VAL 25 -0.382 -2.000 0.854 193 HB VAL 25 HB VAL 25 0.763 -2.974 -1.778 194 1HG1 VAL 25 HG11 VAL 25 2.403 -2.263 -0.051 195 2HG1 VAL 25 HG13 VAL 25 1.649 -3.386 1.081 196 3HG1 VAL 25 HG12 VAL 25 2.466 -3.999 -0.355 197 1HG2 VAL 25 HG22 VAL 25 -1.257 -4.276 -0.843 198 2HG2 VAL 25 HG21 VAL 25 0.217 -5.196 -1.128 199 3HG2 VAL 25 HG23 VAL 25 -0.208 -4.698 0.510 200 H ASP 26 HN ASP 26 0.689 -0.181 1.371 201 HA ASP 26 HA ASP 26 1.411 1.746 -0.811 202 1HB ASP 26 HB2 ASP 26 -0.022 2.543 1.087 203 2HB ASP 26 HB1 ASP 26 1.306 2.196 2.193 204 H PHE 27 HN PHE 27 3.495 1.684 -1.441 205 HA PHE 27 HA PHE 27 5.587 0.576 0.365 206 1HB PHE 27 HB2 PHE 27 5.474 1.192 -2.592 207 2HB PHE 27 HB1 PHE 27 7.005 0.857 -1.783 208 HD1 PHE 27 HD1 PHE 27 7.357 -1.317 -0.636 209 HD2 PHE 27 HD2 PHE 27 3.913 -0.565 -3.087 210 HE1 PHE 27 HE1 PHE 27 6.947 -3.755 -0.799 211 HE2 PHE 27 HE2 PHE 27 3.501 -3.007 -3.250 212 HZ PHE 27 HZ PHE 27 5.019 -4.600 -2.107 213 H SER 28 HN SER 28 4.334 3.385 0.575 214 HA SER 28 HA SER 28 6.219 5.298 -0.321 215 1HB SER 28 HB2 SER 28 4.540 5.411 2.199 216 2HB SER 28 HB1 SER 28 5.329 6.780 1.421 217 HG SER 28 HG SER 28 2.948 5.870 0.910 218 H ALA 29 HN ALA 29 8.023 6.220 0.602 219 HA ALA 29 HA ALA 29 9.491 4.493 2.466 220 1HB ALA 29 HB3 ALA 29 10.121 6.797 0.677 221 2HB ALA 29 HB2 ALA 29 11.109 6.677 2.132 222 3HB ALA 29 HB1 ALA 29 11.057 5.337 0.986 223 H THR 30 HN THR 30 9.493 4.808 4.629 224 HA THR 30 HA THR 30 7.910 6.898 5.817 225 HB THR 30 HB THR 30 8.300 4.736 6.944 226 HG1 THR 30 HG1 THR 30 9.219 7.101 8.156 227 1HG2 THR 30 HG23 THR 30 10.668 4.531 6.057 228 2HG2 THR 30 HG22 THR 30 11.158 5.655 7.325 229 3HG2 THR 30 HG21 THR 30 10.465 4.090 7.751 230 H TRP 31 HN TRP 31 11.304 6.514 4.994 231 HA TRP 31 HA TRP 31 12.203 8.818 6.543 232 1HB TRP 31 HB2 TRP 31 14.302 8.531 5.299 233 2HB TRP 31 HB1 TRP 31 13.727 6.987 5.929 234 HD1 TRP 31 HD1 TRP 31 12.988 5.164 4.228 235 HE1 TRP 31 HE1 TRP 31 13.189 4.948 1.668 236 HE3 TRP 31 HE3 TRP 31 14.136 9.982 3.044 237 HZ2 TRP 31 HZ2 TRP 31 13.722 6.625 -0.589 238 HZ3 TRP 31 HZ3 TRP 31 14.459 10.656 0.683 239 HH2 TRP 31 HH2 TRP 31 14.254 8.984 -1.133 240 H CYS 32 HN CYS 32 10.589 8.470 3.513 241 HA CYS 32 HA CYS 32 11.659 11.002 2.431 242 1HB CYS 32 HB2 CYS 32 11.034 9.029 0.961 243 2HB CYS 32 HB1 CYS 32 9.351 9.327 1.378 244 H GLY 33 HN GLY 33 10.863 12.907 3.062 245 1HA GLY 33 HA2 GLY 33 8.693 13.183 4.882 246 2HA GLY 33 HA1 GLY 33 9.472 14.506 4.031 247 HA PRO 34 HA PRO 34 6.062 15.046 1.328 248 1HB PRO 34 HB2 PRO 34 6.865 14.085 -1.226 249 2HB PRO 34 HB1 PRO 34 7.038 15.732 -0.606 250 1HG PRO 34 HG2 PRO 34 9.101 13.665 -0.957 251 2HG PRO 34 HG1 PRO 34 9.295 15.405 -0.706 252 1HD PRO 34 HD2 PRO 34 9.807 13.383 1.200 253 2HD PRO 34 HD1 PRO 34 9.691 15.121 1.545 254 H ALA 35 HN ALA 35 7.409 11.790 1.025 255 HA ALA 35 HA ALA 35 4.914 10.652 0.023 256 1HB ALA 35 HB1 ALA 35 7.370 9.735 -0.193 257 2HB ALA 35 HB3 ALA 35 7.041 9.008 1.380 258 3HB ALA 35 HB2 ALA 35 6.034 8.600 -0.009 259 H LYS 36 HN LYS 36 6.597 10.630 3.189 260 HA LYS 36 HA LYS 36 4.596 9.171 4.610 261 1HB LYS 36 HB2 LYS 36 6.904 9.751 5.472 262 2HB LYS 36 HB1 LYS 36 6.313 11.389 5.751 263 1HG LYS 36 HG2 LYS 36 4.467 10.394 7.162 264 2HG LYS 36 HG1 LYS 36 5.283 8.836 7.018 265 1HD LYS 36 HD2 LYS 36 7.337 9.860 7.977 266 2HD LYS 36 HD1 LYS 36 6.454 11.370 8.197 267 1HE LYS 36 HE2 LYS 36 4.886 10.283 9.713 268 2HE LYS 36 HE1 LYS 36 5.647 8.717 9.425 269 1HZ LYS 36 HZ2 LYS 36 7.414 10.858 10.278 270 2HZ LYS 36 HZ1 LYS 36 6.305 10.312 11.444 271 3HZ LYS 36 HZ3 LYS 36 7.390 9.221 10.732 272 H MET 37 HN MET 37 4.835 12.522 3.653 273 HA MET 37 HA MET 37 2.855 13.653 5.345 274 1HB MET 37 HB2 MET 37 4.437 14.916 3.859 275 2HB MET 37 HB1 MET 37 3.472 14.414 2.474 276 1HG MET 37 HG2 MET 37 2.220 15.843 4.820 277 2HG MET 37 HG1 MET 37 2.969 16.735 3.497 278 1HE MET 37 HE3 MET 37 1.995 17.304 1.439 279 2HE MET 37 HE2 MET 37 2.407 15.696 0.852 280 3HE MET 37 HE1 MET 37 0.812 16.362 0.518 281 H ILE 38 HN ILE 38 2.590 11.668 2.479 282 HA ILE 38 HA ILE 38 -0.253 12.213 2.062 283 HB ILE 38 HB ILE 38 1.251 9.858 0.898 284 1HG1 ILE 38 HG12 ILE 38 1.263 12.706 -0.151 285 2HG1 ILE 38 HG11 ILE 38 2.625 11.933 0.649 286 1HG2 ILE 38 HG23 ILE 38 -1.027 11.631 -0.048 287 2HG2 ILE 38 HG22 ILE 38 -0.265 10.393 -1.043 288 3HG2 ILE 38 HG21 ILE 38 -1.131 9.936 0.417 289 1HD1 ILE 38 HD13 ILE 38 2.412 10.087 -1.112 290 2HD1 ILE 38 HD12 ILE 38 1.379 11.211 -1.988 291 3HD1 ILE 38 HD11 ILE 38 3.056 11.637 -1.644 292 H LYS 39 HN LYS 39 1.351 10.343 4.372 293 HA LYS 39 HA LYS 39 -0.153 7.957 4.255 294 1HB LYS 39 HB2 LYS 39 0.619 7.375 6.378 295 2HB LYS 39 HB1 LYS 39 1.888 8.393 5.726 296 1HG LYS 39 HG2 LYS 39 1.388 10.178 7.165 297 2HG LYS 39 HG1 LYS 39 -0.249 9.617 7.493 298 1HD LYS 39 HD2 LYS 39 2.262 8.165 8.365 299 2HD LYS 39 HD1 LYS 39 1.343 9.262 9.392 300 1HE LYS 39 HE2 LYS 39 0.294 7.314 10.032 301 2HE LYS 39 HE1 LYS 39 -0.666 7.603 8.583 302 1HZ LYS 39 HZ2 LYS 39 1.846 6.226 8.154 303 2HZ LYS 39 HZ1 LYS 39 0.700 5.359 9.061 304 3HZ LYS 39 HZ3 LYS 39 0.307 5.912 7.504 305 HA PRO 40 HA PRO 40 -3.340 10.052 7.306 306 1HB PRO 40 HB2 PRO 40 -3.762 12.548 5.726 307 2HB PRO 40 HB1 PRO 40 -3.720 12.321 7.486 308 1HG PRO 40 HG2 PRO 40 -1.693 13.521 6.222 309 2HG PRO 40 HG1 PRO 40 -1.388 12.410 7.568 310 1HD PRO 40 HD2 PRO 40 -1.104 11.920 4.630 311 2HD PRO 40 HD1 PRO 40 -0.042 11.379 5.948 312 H PHE 41 HN PHE 41 -3.441 10.755 3.778 313 HA PHE 41 HA PHE 41 -6.283 10.240 3.593 314 1HB PHE 41 HB2 PHE 41 -4.067 10.108 1.528 315 2HB PHE 41 HB1 PHE 41 -5.777 9.932 1.158 316 HD1 PHE 41 HD2 PHE 41 -3.315 12.234 2.725 317 HD2 PHE 41 HD1 PHE 41 -7.153 11.812 0.853 318 HE1 PHE 41 HE2 PHE 41 -3.555 14.701 2.671 319 HE2 PHE 41 HE1 PHE 41 -7.397 14.283 0.799 320 HZ PHE 41 HZ PHE 41 -5.596 15.726 1.706 321 H PHE 42 HN PHE 42 -3.405 8.294 2.848 322 HA PHE 42 HA PHE 42 -4.756 5.882 2.150 323 1HB PHE 42 HB2 PHE 42 -2.371 6.303 1.688 324 2HB PHE 42 HB1 PHE 42 -2.026 6.328 3.418 325 HD1 PHE 42 HD1 PHE 42 -3.162 4.173 0.607 326 HD2 PHE 42 HD2 PHE 42 -1.783 4.316 4.673 327 HE1 PHE 42 HE1 PHE 42 -2.913 1.708 0.609 328 HE2 PHE 42 HE2 PHE 42 -1.534 1.850 4.673 329 HZ PHE 42 HZ PHE 42 -2.106 0.548 2.641 330 H HIS 43 HN HIS 43 -3.337 6.936 5.228 331 HA HIS 43 HA HIS 43 -4.251 4.714 6.790 332 1HB HIS 43 HB2 HIS 43 -2.402 6.176 7.489 333 2HB HIS 43 HB1 HIS 43 -3.509 7.542 7.610 334 HD1 HIS 43 HD1 HIS 43 -2.407 4.468 9.398 335 HD2 HIS 43 HD2 HIS 43 -5.341 7.389 9.801 336 HE1 HIS 43 HE1 HIS 43 -3.450 4.125 11.683 337 H SER 44 HN SER 44 -5.624 7.979 6.292 338 HA SER 44 HA SER 44 -7.794 7.649 8.107 339 1HB SER 44 HB2 SER 44 -7.642 9.390 5.634 340 2HB SER 44 HB1 SER 44 -8.872 9.513 6.888 341 HG SER 44 HG SER 44 -7.251 10.003 8.373 342 H LEU 45 HN LEU 45 -7.525 6.911 4.643 343 HA LEU 45 HA LEU 45 -10.255 6.283 4.176 344 1HB LEU 45 HB2 LEU 45 -7.734 5.245 2.889 345 2HB LEU 45 HB1 LEU 45 -9.334 4.829 2.305 346 HG LEU 45 HG LEU 45 -8.554 7.724 2.693 347 1HD1 LEU 45 HD11 LEU 45 -6.832 6.697 1.244 348 2HD1 LEU 45 HD13 LEU 45 -8.102 6.057 0.198 349 3HD1 LEU 45 HD12 LEU 45 -7.863 7.799 0.332 350 1HD2 LEU 45 HD22 LEU 45 -10.614 6.236 1.046 351 2HD2 LEU 45 HD21 LEU 45 -10.882 7.451 2.296 352 3HD2 LEU 45 HD23 LEU 45 -10.203 7.922 0.743 353 H SER 46 HN SER 46 -7.782 4.463 5.830 354 HA SER 46 HA SER 46 -8.722 1.838 5.520 355 1HB SER 46 HB2 SER 46 -7.714 3.123 8.083 356 2HB SER 46 HB1 SER 46 -7.798 1.393 7.773 357 HG SER 46 HG SER 46 -6.019 1.545 6.674 358 H GLU 47 HN GLU 47 -9.920 4.412 7.641 359 HA GLU 47 HA GLU 47 -12.044 2.668 8.689 360 1HB GLU 47 HB2 GLU 47 -11.468 5.629 9.065 361 2HB GLU 47 HB1 GLU 47 -12.767 4.757 9.875 362 1HG GLU 47 HG2 GLU 47 -9.832 4.022 10.074 363 2HG GLU 47 HG1 GLU 47 -10.709 4.958 11.283 364 H LYS 48 HN LYS 48 -11.598 4.718 5.941 365 HA LYS 48 HA LYS 48 -14.424 5.423 5.663 366 1HB LYS 48 HB2 LYS 48 -12.580 6.767 4.587 367 2HB LYS 48 HB1 LYS 48 -12.297 5.404 3.502 368 1HG LYS 48 HG2 LYS 48 -14.664 5.529 2.754 369 2HG LYS 48 HG1 LYS 48 -14.893 6.944 3.780 370 1HD LYS 48 HD2 LYS 48 -13.125 8.131 2.527 371 2HD LYS 48 HD1 LYS 48 -12.924 6.720 1.489 372 1HE LYS 48 HE2 LYS 48 -15.287 6.913 0.783 373 2HE LYS 48 HE1 LYS 48 -15.460 8.349 1.792 374 1HZ LYS 48 HZ2 LYS 48 -13.240 8.864 0.320 375 2HZ LYS 48 HZ1 LYS 48 -14.251 8.070 -0.792 376 3HZ LYS 48 HZ3 LYS 48 -14.798 9.464 0.001 377 H TYR 49 HN TYR 49 -12.205 2.980 4.474 378 HA TYR 49 HA TYR 49 -14.563 1.400 3.463 379 1HB TYR 49 HB2 TYR 49 -11.706 1.450 2.407 380 2HB TYR 49 HB1 TYR 49 -12.965 0.342 1.860 381 HD1 TYR 49 HD2 TYR 49 -15.182 1.416 1.019 382 HD2 TYR 49 HD1 TYR 49 -11.473 3.555 1.355 383 HE1 TYR 49 HE2 TYR 49 -16.028 3.132 -0.557 384 HE2 TYR 49 HE1 TYR 49 -12.322 5.268 -0.227 385 HH TYR 49 HH TYR 49 -15.612 5.041 -1.589 386 H SER 50 HN SER 50 -14.404 0.941 5.901 387 HA SER 50 HA SER 50 -12.238 -0.573 6.969 388 1HB SER 50 HB2 SER 50 -13.705 -1.053 8.797 389 2HB SER 50 HB1 SER 50 -14.134 0.557 8.248 390 HG SER 50 HG SER 50 -15.684 -1.575 8.420 391 H ASN 51 HN ASN 51 -14.473 -1.310 4.571 392 HA ASN 51 HA ASN 51 -14.480 -4.226 5.080 393 1HB ASN 51 HB2 ASN 51 -16.492 -2.948 4.142 394 2HB ASN 51 HB1 ASN 51 -15.561 -2.765 2.656 395 1HD2 ASN 51 HD22 ASN 51 -16.316 -6.011 1.543 396 2HD2 ASN 51 HD21 ASN 51 -15.728 -4.462 1.175 397 H VAL 52 HN VAL 52 -12.226 -2.208 4.149 398 HA VAL 52 HA VAL 52 -11.054 -4.053 2.114 399 HB VAL 52 HB VAL 52 -11.030 -1.023 2.183 400 1HG1 VAL 52 HG13 VAL 52 -9.163 -2.970 0.850 401 2HG1 VAL 52 HG12 VAL 52 -9.547 -1.449 0.043 402 3HG1 VAL 52 HG11 VAL 52 -8.798 -1.440 1.638 403 1HG2 VAL 52 HG21 VAL 52 -11.880 -3.084 0.128 404 2HG2 VAL 52 HG23 VAL 52 -12.941 -2.016 1.047 405 3HG2 VAL 52 HG22 VAL 52 -11.846 -1.345 -0.162 406 H ILE 53 HN ILE 53 -8.832 -4.514 2.473 407 HA ILE 53 HA ILE 53 -7.850 -3.684 5.180 408 HB ILE 53 HB ILE 53 -6.695 -5.782 3.323 409 1HG1 ILE 53 HG12 ILE 53 -9.016 -6.379 3.680 410 2HG1 ILE 53 HG11 ILE 53 -8.028 -7.404 4.716 411 1HG2 ILE 53 HG21 ILE 53 -5.458 -4.816 5.415 412 2HG2 ILE 53 HG23 ILE 53 -6.621 -5.756 6.342 413 3HG2 ILE 53 HG22 ILE 53 -5.535 -6.563 5.212 414 1HD1 ILE 53 HD12 ILE 53 -8.441 -5.571 6.529 415 2HD1 ILE 53 HD11 ILE 53 -9.767 -5.068 5.483 416 3HD1 ILE 53 HD13 ILE 53 -9.745 -6.698 6.156 417 H PHE 54 HN PHE 54 -6.374 -2.025 5.237 418 HA PHE 54 HA PHE 54 -4.773 -1.421 2.772 419 1HB PHE 54 HB2 PHE 54 -5.373 0.233 5.245 420 2HB PHE 54 HB1 PHE 54 -4.280 0.743 3.962 421 HD1 PHE 54 HD1 PHE 54 -7.790 -0.361 4.596 422 HD2 PHE 54 HD2 PHE 54 -5.134 1.823 2.033 423 HE1 PHE 54 HE1 PHE 54 -9.729 0.530 3.334 424 HE2 PHE 54 HE2 PHE 54 -7.070 2.699 0.760 425 HZ PHE 54 HZ PHE 54 -9.368 2.049 1.412 426 H LEU 55 HN LEU 55 -2.631 -1.960 2.782 427 HA LEU 55 HA LEU 55 -1.290 -2.532 5.404 428 1HB LEU 55 HB2 LEU 55 -0.681 -3.584 2.630 429 2HB LEU 55 HB1 LEU 55 0.413 -3.786 3.997 430 HG LEU 55 HG LEU 55 -1.243 -5.089 5.192 431 1HD1 LEU 55 HD13 LEU 55 -3.074 -4.198 2.978 432 2HD1 LEU 55 HD12 LEU 55 -3.379 -5.720 3.823 433 3HD1 LEU 55 HD11 LEU 55 -3.341 -4.216 4.721 434 1HD2 LEU 55 HD21 LEU 55 0.175 -6.201 3.487 435 2HD2 LEU 55 HD23 LEU 55 -1.373 -7.016 3.701 436 3HD2 LEU 55 HD22 LEU 55 -1.107 -5.975 2.300 437 H GLU 56 HN GLU 56 0.674 -1.617 5.842 438 HA GLU 56 HA GLU 56 1.610 0.529 3.965 439 1HB GLU 56 HB2 GLU 56 0.751 1.246 6.256 440 2HB GLU 56 HB1 GLU 56 2.116 0.365 6.947 441 1HG GLU 56 HG2 GLU 56 3.663 1.718 5.537 442 2HG GLU 56 HG1 GLU 56 2.278 2.654 4.965 443 H VAL 57 HN VAL 57 3.665 0.234 3.185 444 HA VAL 57 HA VAL 57 5.400 -1.826 4.523 445 HB VAL 57 HB VAL 57 5.047 -1.398 1.545 446 1HG1 VAL 57 HG13 VAL 57 6.620 -3.385 3.203 447 2HG1 VAL 57 HG12 VAL 57 6.326 -3.574 1.475 448 3HG1 VAL 57 HG11 VAL 57 7.271 -2.206 2.065 449 1HG2 VAL 57 HG21 VAL 57 3.058 -2.399 2.609 450 2HG2 VAL 57 HG23 VAL 57 3.905 -3.586 1.618 451 3HG2 VAL 57 HG22 VAL 57 4.078 -3.615 3.373 452 H ASP 58 HN ASP 58 7.468 -1.164 4.883 453 HA ASP 58 HA ASP 58 8.314 1.529 3.942 454 1HB ASP 58 HB2 ASP 58 8.505 0.792 6.368 455 2HB ASP 58 HB1 ASP 58 9.737 -0.356 5.830 456 H VAL 59 HN VAL 59 9.570 1.615 2.094 457 HA VAL 59 HA VAL 59 10.693 -0.784 0.927 458 HB VAL 59 HB VAL 59 11.878 0.780 -0.591 459 1HG1 VAL 59 HG12 VAL 59 8.977 1.394 0.020 460 2HG1 VAL 59 HG11 VAL 59 9.810 1.972 -1.420 461 3HG1 VAL 59 HG13 VAL 59 9.596 0.245 -1.165 462 1HG2 VAL 59 HG22 VAL 59 10.740 2.905 1.246 463 2HG2 VAL 59 HG21 VAL 59 12.442 2.544 0.988 464 3HG2 VAL 59 HG23 VAL 59 11.482 3.224 -0.322 465 H ASP 60 HN ASP 60 11.691 1.361 3.411 466 HA ASP 60 HA ASP 60 14.544 0.588 3.169 467 1HB ASP 60 HB2 ASP 60 12.997 2.572 4.809 468 2HB ASP 60 HB1 ASP 60 14.629 2.130 5.276 469 H ASP 61 HN ASP 61 11.903 0.184 5.607 470 HA ASP 61 HA ASP 61 13.698 -1.676 7.106 471 1HB ASP 61 HB2 ASP 61 10.913 -0.657 7.764 472 2HB ASP 61 HB1 ASP 61 11.879 -1.714 8.791 473 H ALA 62 HN ALA 62 11.292 -1.713 4.728 474 HA ALA 62 HA ALA 62 10.901 -4.658 5.097 475 1HB ALA 62 HB3 ALA 62 8.852 -3.039 5.464 476 2HB ALA 62 HB2 ALA 62 8.844 -2.956 3.702 477 3HB ALA 62 HB1 ALA 62 8.643 -4.508 4.512 478 H GLN 63 HN GLN 63 12.992 -3.367 3.705 479 HA GLN 63 HA GLN 63 12.534 -3.003 0.935 480 1HB GLN 63 HB2 GLN 63 14.931 -3.244 0.675 481 2HB GLN 63 HB1 GLN 63 14.627 -2.389 2.189 482 1HG GLN 63 HG2 GLN 63 14.767 -4.622 3.368 483 2HG GLN 63 HG1 GLN 63 15.327 -5.315 1.846 484 1HE2 GLN 63 HE22 GLN 63 18.607 -4.485 2.850 485 2HE2 GLN 63 HE21 GLN 63 17.519 -5.715 2.415 486 H ASP 64 HN ASP 64 12.631 -5.901 2.839 487 HA ASP 64 HA ASP 64 13.375 -7.755 0.804 488 1HB ASP 64 HB2 ASP 64 12.092 -9.421 2.212 489 2HB ASP 64 HB1 ASP 64 13.293 -8.497 3.106 490 H VAL 65 HN VAL 65 10.292 -6.252 1.678 491 HA VAL 65 HA VAL 65 8.734 -7.824 -0.191 492 HB VAL 65 HB VAL 65 8.063 -5.082 0.927 493 1HG1 VAL 65 HG13 VAL 65 6.686 -6.085 -0.975 494 2HG1 VAL 65 HG12 VAL 65 6.218 -7.352 0.158 495 3HG1 VAL 65 HG11 VAL 65 5.790 -5.673 0.485 496 1HG2 VAL 65 HG21 VAL 65 7.991 -7.817 2.173 497 2HG2 VAL 65 HG23 VAL 65 8.422 -6.274 2.902 498 3HG2 VAL 65 HG22 VAL 65 6.732 -6.662 2.597 499 H ALA 66 HN ALA 66 10.239 -4.604 -0.248 500 HA ALA 66 HA ALA 66 9.267 -3.868 -2.847 501 1HB ALA 66 HB3 ALA 66 11.578 -2.903 -1.170 502 2HB ALA 66 HB2 ALA 66 11.211 -2.226 -2.750 503 3HB ALA 66 HB1 ALA 66 10.028 -2.108 -1.446 504 H SER 67 HN SER 67 12.323 -5.380 -1.781 505 HA SER 67 HA SER 67 13.625 -5.282 -4.309 506 1HB SER 67 HB2 SER 67 15.042 -7.094 -3.467 507 2HB SER 67 HB1 SER 67 14.754 -5.917 -2.190 508 HG SER 67 HG SER 67 13.722 -7.389 -1.106 509 H GLU 68 HN GLU 68 11.333 -7.633 -2.989 510 HA GLU 68 HA GLU 68 11.552 -9.508 -5.161 511 1HB GLU 68 HB2 GLU 68 10.535 -10.003 -2.919 512 2HB GLU 68 HB1 GLU 68 9.158 -8.998 -3.367 513 1HG GLU 68 HG2 GLU 68 10.064 -11.322 -5.077 514 2HG GLU 68 HG1 GLU 68 8.913 -11.526 -3.757 515 H ALA 69 HN ALA 69 9.520 -6.654 -4.606 516 HA ALA 69 HA ALA 69 8.068 -7.081 -7.131 517 1HB ALA 69 HB2 ALA 69 6.885 -6.194 -5.157 518 2HB ALA 69 HB1 ALA 69 7.944 -4.783 -5.160 519 3HB ALA 69 HB3 ALA 69 6.831 -5.054 -6.501 520 H GLU 70 HN GLU 70 11.058 -5.788 -6.383 521 HA GLU 70 HA GLU 70 12.512 -4.351 -7.542 522 1HB GLU 70 HB2 GLU 70 10.650 -5.153 -9.794 523 2HB GLU 70 HB1 GLU 70 12.125 -4.224 -10.031 524 1HG GLU 70 HG2 GLU 70 12.721 -6.491 -10.428 525 2HG GLU 70 HG1 GLU 70 13.352 -6.103 -8.829 526 H VAL 71 HN VAL 71 10.715 -2.861 -6.082 527 HA VAL 71 HA VAL 71 9.140 -1.055 -7.661 528 HB VAL 71 HB VAL 71 10.462 -0.487 -4.983 529 1HG1 VAL 71 HG11 VAL 71 8.049 0.644 -6.437 530 2HG1 VAL 71 HG13 VAL 71 8.411 0.973 -4.745 531 3HG1 VAL 71 HG12 VAL 71 9.528 1.502 -6.011 532 1HG2 VAL 71 HG21 VAL 71 7.808 -1.823 -5.664 533 2HG2 VAL 71 HG23 VAL 71 9.189 -2.591 -4.880 534 3HG2 VAL 71 HG22 VAL 71 8.290 -1.326 -4.042 535 H LYS 72 HN LYS 72 9.750 0.687 -8.860 536 HA LYS 72 HA LYS 72 12.633 1.405 -8.884 537 1HB LYS 72 HB2 LYS 72 10.447 1.987 -10.894 538 2HB LYS 72 HB1 LYS 72 12.149 2.393 -11.090 539 1HG LYS 72 HG2 LYS 72 11.291 -0.463 -10.566 540 2HG LYS 72 HG1 LYS 72 11.290 0.202 -12.198 541 1HD LYS 72 HD2 LYS 72 13.706 0.838 -11.867 542 2HD LYS 72 HD1 LYS 72 13.671 -0.033 -10.334 543 1HE LYS 72 HE2 LYS 72 13.022 -2.095 -11.500 544 2HE LYS 72 HE1 LYS 72 13.024 -1.234 -13.037 545 1HZ LYS 72 HZ3 LYS 72 15.399 -0.693 -12.587 546 2HZ LYS 72 HZ2 LYS 72 15.341 -1.752 -11.259 547 3HZ LYS 72 HZ1 LYS 72 15.093 -2.343 -12.832 548 H ALA 73 HN ALA 73 9.661 2.617 -7.718 549 HA ALA 73 HA ALA 73 10.971 5.113 -6.969 550 1HB ALA 73 HB3 ALA 73 10.138 5.381 -9.396 551 2HB ALA 73 HB2 ALA 73 8.525 5.447 -8.684 552 3HB ALA 73 HB1 ALA 73 9.741 6.649 -8.237 553 H THR 74 HN THR 74 9.739 6.350 -5.443 554 HA THR 74 HA THR 74 7.265 5.038 -4.378 555 HB THR 74 HB THR 74 8.021 5.493 -2.106 556 HG1 THR 74 HG1 THR 74 10.019 6.906 -3.459 557 1HG2 THR 74 HG23 THR 74 10.138 4.228 -3.815 558 2HG2 THR 74 HG22 THR 74 10.197 4.225 -2.058 559 3HG2 THR 74 HG21 THR 74 8.866 3.430 -2.905 560 HA PRO 75 HA PRO 75 5.888 5.727 -2.551 561 1HB PRO 75 HB2 PRO 75 3.321 6.757 -2.608 562 2HB PRO 75 HB1 PRO 75 4.560 7.224 -1.436 563 1HG PRO 75 HG2 PRO 75 3.537 8.736 -3.777 564 2HG PRO 75 HG1 PRO 75 4.263 9.336 -2.282 565 1HD PRO 75 HD2 PRO 75 5.551 9.153 -4.804 566 2HD PRO 75 HD1 PRO 75 6.351 9.444 -3.233 567 H THR 76 HN THR 76 4.915 3.827 -3.212 568 HA THR 76 HA THR 76 3.500 3.835 -5.863 569 HB THR 76 HB THR 76 5.367 1.679 -4.845 570 HG1 THR 76 HG1 THR 76 6.110 3.822 -5.809 571 1HG2 THR 76 HG21 THR 76 3.661 1.955 -7.321 572 2HG2 THR 76 HG23 THR 76 5.001 0.813 -7.208 573 3HG2 THR 76 HG22 THR 76 3.619 0.661 -6.126 574 H PHE 77 HN PHE 77 1.574 2.890 -5.814 575 HA PHE 77 HA PHE 77 0.747 1.413 -3.340 576 1HB PHE 77 HB2 PHE 77 -0.928 2.833 -5.435 577 2HB PHE 77 HB1 PHE 77 -1.549 2.041 -3.984 578 HD1 PHE 77 HD1 PHE 77 -1.124 2.975 -1.753 579 HD2 PHE 77 HD2 PHE 77 0.284 4.926 -5.312 580 HE1 PHE 77 HE1 PHE 77 -0.675 5.034 -0.444 581 HE2 PHE 77 HE2 PHE 77 0.733 6.987 -4.004 582 HZ PHE 77 HZ PHE 77 0.254 7.041 -1.570 583 H GLN 78 HN GLN 78 0.255 -0.724 -3.569 584 HA GLN 78 HA GLN 78 -0.201 -1.783 -6.341 585 1HB GLN 78 HB2 GLN 78 1.298 -3.034 -4.028 586 2HB GLN 78 HB1 GLN 78 0.830 -3.909 -5.487 587 1HG GLN 78 HG2 GLN 78 2.055 -2.142 -6.816 588 2HG GLN 78 HG1 GLN 78 2.686 -1.524 -5.292 589 1HE2 GLN 78 HE22 GLN 78 5.371 -3.786 -5.963 590 2HE2 GLN 78 HE21 GLN 78 4.895 -2.158 -6.022 591 H PHE 79 HN PHE 79 -1.901 -3.129 -6.583 592 HA PHE 79 HA PHE 79 -3.662 -3.493 -4.185 593 1HB PHE 79 HB2 PHE 79 -4.285 -3.416 -7.148 594 2HB PHE 79 HB1 PHE 79 -5.471 -3.756 -5.882 595 HD1 PHE 79 HD2 PHE 79 -3.080 -1.239 -7.174 596 HD2 PHE 79 HD1 PHE 79 -6.332 -2.005 -4.484 597 HE1 PHE 79 HE2 PHE 79 -3.266 1.179 -6.717 598 HE2 PHE 79 HE1 PHE 79 -6.519 0.423 -4.017 599 HZ PHE 79 HZ PHE 79 -4.987 2.019 -5.137 600 H PHE 80 HN PHE 80 -4.192 -5.479 -3.527 601 HA PHE 80 HA PHE 80 -3.490 -7.817 -5.242 602 1HB PHE 80 HB2 PHE 80 -2.937 -7.397 -2.305 603 2HB PHE 80 HB1 PHE 80 -2.926 -8.993 -3.049 604 HD1 PHE 80 HD2 PHE 80 -1.234 -5.683 -2.929 605 HD2 PHE 80 HD1 PHE 80 -1.176 -9.670 -4.556 606 HE1 PHE 80 HE2 PHE 80 1.107 -5.358 -3.668 607 HE2 PHE 80 HE1 PHE 80 1.168 -9.333 -5.292 608 HZ PHE 80 HZ PHE 80 2.309 -7.177 -4.846 609 H LYS 81 HN LYS 81 -4.919 -9.567 -5.116 610 HA LYS 81 HA LYS 81 -7.194 -9.371 -3.209 611 1HB LYS 81 HB2 LYS 81 -7.780 -8.182 -5.402 612 2HB LYS 81 HB1 LYS 81 -7.645 -9.757 -6.183 613 1HG LYS 81 HG2 LYS 81 -9.297 -10.606 -4.431 614 2HG LYS 81 HG1 LYS 81 -9.579 -8.922 -4.016 615 1HD LYS 81 HD2 LYS 81 -9.860 -9.965 -6.843 616 2HD LYS 81 HD1 LYS 81 -11.204 -9.931 -5.705 617 1HE LYS 81 HE2 LYS 81 -10.802 -7.471 -5.396 618 2HE LYS 81 HE1 LYS 81 -9.600 -7.553 -6.684 619 1HZ LYS 81 HZ2 LYS 81 -12.380 -8.500 -7.049 620 2HZ LYS 81 HZ1 LYS 81 -11.918 -6.896 -7.365 621 3HZ LYS 81 HZ3 LYS 81 -11.218 -8.167 -8.242 622 H LYS 82 HN LYS 82 -7.735 -11.439 -2.530 623 HA LYS 82 HA LYS 82 -7.427 -13.760 -2.250 624 1HB LYS 82 HB2 LYS 82 -7.592 -13.589 -5.281 625 2HB LYS 82 HB1 LYS 82 -7.647 -15.098 -4.371 626 1HG LYS 82 HG2 LYS 82 -9.613 -13.968 -3.072 627 2HG LYS 82 HG1 LYS 82 -9.672 -12.864 -4.442 628 1HD LYS 82 HD2 LYS 82 -9.785 -14.909 -5.946 629 2HD LYS 82 HD1 LYS 82 -10.027 -15.867 -4.485 630 1HE LYS 82 HE2 LYS 82 -12.024 -14.538 -3.931 631 2HE LYS 82 HE1 LYS 82 -11.776 -13.554 -5.373 632 1HZ LYS 82 HZ2 LYS 82 -11.743 -15.993 -6.425 633 2HZ LYS 82 HZ1 LYS 82 -12.805 -16.256 -5.126 634 3HZ LYS 82 HZ3 LYS 82 -13.155 -15.059 -6.276 635 H GLY 83 HN GLY 83 -5.010 -12.092 -2.414 636 1HA GLY 83 HA2 GLY 83 -2.704 -12.528 -2.356 637 2HA GLY 83 HA1 GLY 83 -3.071 -14.214 -2.716 638 H GLN 84 HN GLN 84 -4.290 -11.683 -4.798 639 HA GLN 84 HA GLN 84 -2.201 -12.345 -6.822 640 1HB GLN 84 HB2 GLN 84 -5.193 -12.184 -7.223 641 2HB GLN 84 HB1 GLN 84 -4.044 -12.166 -8.556 642 1HG GLN 84 HG2 GLN 84 -4.113 -14.350 -6.462 643 2HG GLN 84 HG1 GLN 84 -4.986 -14.449 -7.992 644 1HE2 GLN 84 HE22 GLN 84 -1.286 -13.880 -9.258 645 2HE2 GLN 84 HE21 GLN 84 -2.367 -12.652 -8.798 646 H LYS 85 HN LYS 85 -1.314 -10.637 -7.824 647 HA LYS 85 HA LYS 85 -2.109 -7.923 -7.041 648 1HB LYS 85 HB2 LYS 85 0.261 -8.629 -7.374 649 2HB LYS 85 HB1 LYS 85 -0.081 -8.869 -9.087 650 1HG LYS 85 HG2 LYS 85 -0.754 -6.474 -9.248 651 2HG LYS 85 HG1 LYS 85 -0.286 -6.261 -7.561 652 1HD LYS 85 HD2 LYS 85 2.005 -7.045 -8.128 653 2HD LYS 85 HD1 LYS 85 1.525 -7.143 -9.823 654 1HE LYS 85 HE2 LYS 85 0.958 -4.722 -9.773 655 2HE LYS 85 HE1 LYS 85 1.529 -4.650 -8.104 656 1HZ LYS 85 HZ3 LYS 85 3.514 -5.899 -9.574 657 2HZ LYS 85 HZ2 LYS 85 3.029 -4.552 -10.491 658 3HZ LYS 85 HZ1 LYS 85 3.559 -4.348 -8.889 659 H VAL 86 HN VAL 86 -3.654 -6.781 -8.111 660 HA VAL 86 HA VAL 86 -4.176 -7.431 -10.993 661 HB VAL 86 HB VAL 86 -6.544 -6.770 -10.542 662 1HG1 VAL 86 HG13 VAL 86 -5.622 -9.174 -10.410 663 2HG1 VAL 86 HG12 VAL 86 -5.713 -8.984 -8.659 664 3HG1 VAL 86 HG11 VAL 86 -7.176 -8.870 -9.636 665 1HG2 VAL 86 HG23 VAL 86 -5.603 -6.815 -7.656 666 2HG2 VAL 86 HG22 VAL 86 -6.111 -5.381 -8.548 667 3HG2 VAL 86 HG21 VAL 86 -7.279 -6.651 -8.183 668 H GLY 87 HN GLY 87 -2.746 -5.121 -9.177 669 1HA GLY 87 HA2 GLY 87 -3.043 -3.126 -11.212 670 2HA GLY 87 HA1 GLY 87 -4.105 -2.719 -9.872 671 H GLU 88 HN GLU 88 -1.835 -1.223 -10.823 672 HA GLU 88 HA GLU 88 -0.528 -0.681 -8.304 673 1HB GLU 88 HB2 GLU 88 0.880 -2.549 -8.857 674 2HB GLU 88 HB1 GLU 88 1.057 -2.004 -10.518 675 1HG GLU 88 HG2 GLU 88 1.967 -0.272 -8.215 676 2HG GLU 88 HG1 GLU 88 3.005 -1.552 -8.839 677 H PHE 89 HN PHE 89 0.560 1.328 -8.345 678 HA PHE 89 HA PHE 89 1.120 2.645 -10.861 679 1HB PHE 89 HB2 PHE 89 -0.483 4.411 -10.831 680 2HB PHE 89 HB1 PHE 89 -1.390 2.912 -10.696 681 HD1 PHE 89 HD1 PHE 89 0.020 5.742 -8.757 682 HD2 PHE 89 HD2 PHE 89 -2.802 2.507 -8.794 683 HE1 PHE 89 HE1 PHE 89 -1.028 6.644 -6.698 684 HE2 PHE 89 HE2 PHE 89 -3.855 3.409 -6.726 685 HZ PHE 89 HZ PHE 89 -2.970 5.480 -5.685 686 H SER 90 HN SER 90 1.955 4.878 -10.486 687 HA SER 90 HA SER 90 3.021 5.235 -7.702 688 1HB SER 90 HB2 SER 90 5.103 6.070 -8.710 689 2HB SER 90 HB1 SER 90 4.798 4.401 -9.191 690 HG SER 90 HG SER 90 5.181 6.472 -10.747 691 H GLY 91 HN GLY 91 3.623 7.448 -7.208 692 1HA GLY 91 HA2 GLY 91 3.608 9.823 -8.062 693 2HA GLY 91 HA1 GLY 91 2.035 9.471 -8.770 694 H ALA 92 HN ALA 92 2.961 11.388 -6.583 695 HA ALA 92 HA ALA 92 1.676 10.394 -4.164 696 1HB ALA 92 HB3 ALA 92 2.697 13.089 -5.069 697 2HB ALA 92 HB2 ALA 92 1.912 12.870 -3.508 698 3HB ALA 92 HB1 ALA 92 3.410 12.012 -3.876 699 H ASN 93 HN ASN 93 -0.318 9.834 -5.688 700 HA ASN 93 HA ASN 93 -2.213 12.167 -5.668 701 1HB ASN 93 HB2 ASN 93 -1.636 11.203 -7.950 702 2HB ASN 93 HB1 ASN 93 -2.415 9.710 -7.425 703 1HD2 ASN 93 HD22 ASN 93 -5.263 12.466 -6.958 704 2HD2 ASN 93 HD21 ASN 93 -3.979 12.244 -5.873 705 H LYS 94 HN LYS 94 -2.993 11.749 -3.568 706 HA LYS 94 HA LYS 94 -3.700 9.133 -2.624 707 1HB LYS 94 HB2 LYS 94 -4.962 10.422 -0.888 708 2HB LYS 94 HB1 LYS 94 -3.266 10.863 -1.037 709 1HG LYS 94 HG2 LYS 94 -4.954 12.463 -2.840 710 2HG LYS 94 HG1 LYS 94 -5.478 12.621 -1.173 711 1HD LYS 94 HD2 LYS 94 -3.124 13.161 -0.524 712 2HD LYS 94 HD1 LYS 94 -2.681 13.114 -2.236 713 1HE LYS 94 HE2 LYS 94 -4.291 14.893 -2.722 714 2HE LYS 94 HE1 LYS 94 -4.806 14.910 -1.036 715 1HZ LYS 94 HZ3 LYS 94 -1.970 15.188 -1.345 716 2HZ LYS 94 HZ2 LYS 94 -2.831 16.435 -2.113 717 3HZ LYS 94 HZ1 LYS 94 -3.058 16.139 -0.455 718 H GLU 95 HN GLU 95 -5.569 11.614 -4.355 719 HA GLU 95 HA GLU 95 -8.149 10.467 -3.898 720 1HB GLU 95 HB2 GLU 95 -7.131 12.081 -6.260 721 2HB GLU 95 HB1 GLU 95 -8.826 11.754 -5.910 722 1HG GLU 95 HG2 GLU 95 -6.976 13.109 -3.939 723 2HG GLU 95 HG1 GLU 95 -7.978 14.001 -5.084 724 H LYS 96 HN LYS 96 -5.570 9.712 -6.124 725 HA LYS 96 HA LYS 96 -7.003 8.128 -8.000 726 1HB LYS 96 HB2 LYS 96 -4.606 8.932 -8.113 727 2HB LYS 96 HB1 LYS 96 -4.189 7.630 -7.017 728 1HG LYS 96 HG2 LYS 96 -4.810 5.954 -8.577 729 2HG LYS 96 HG1 LYS 96 -5.655 7.112 -9.607 730 1HD LYS 96 HD2 LYS 96 -3.491 8.251 -10.061 731 2HD LYS 96 HD1 LYS 96 -2.665 7.028 -9.100 732 1HE LYS 96 HE2 LYS 96 -4.295 6.513 -11.606 733 2HE LYS 96 HE1 LYS 96 -2.537 6.462 -11.490 734 1HZ LYS 96 HZ3 LYS 96 -3.680 4.841 -9.485 735 2HZ LYS 96 HZ2 LYS 96 -4.325 4.403 -10.995 736 3HZ LYS 96 HZ1 LYS 96 -2.643 4.395 -10.751 737 H LEU 97 HN LEU 97 -5.685 7.390 -4.806 738 HA LEU 97 HA LEU 97 -5.953 4.561 -4.868 739 1HB LEU 97 HB2 LEU 97 -6.304 6.563 -2.616 740 2HB LEU 97 HB1 LEU 97 -6.342 4.827 -2.359 741 HG LEU 97 HG LEU 97 -4.007 6.141 -3.735 742 1HD1 LEU 97 HD13 LEU 97 -4.372 7.237 -1.523 743 2HD1 LEU 97 HD12 LEU 97 -4.299 5.659 -0.758 744 3HD1 LEU 97 HD11 LEU 97 -2.877 6.308 -1.572 745 1HD2 LEU 97 HD22 LEU 97 -4.663 3.457 -3.314 746 2HD2 LEU 97 HD21 LEU 97 -3.044 4.069 -3.626 747 3HD2 LEU 97 HD23 LEU 97 -3.578 3.798 -1.971 748 H GLU 98 HN GLU 98 -8.206 7.164 -4.189 749 HA GLU 98 HA GLU 98 -10.391 5.559 -3.292 750 1HB GLU 98 HB2 GLU 98 -10.277 8.035 -3.051 751 2HB GLU 98 HB1 GLU 98 -10.546 8.194 -4.788 752 1HG GLU 98 HG2 GLU 98 -12.702 6.976 -4.547 753 2HG GLU 98 HG1 GLU 98 -12.435 6.886 -2.806 754 H ALA 99 HN ALA 99 -9.545 6.631 -6.592 755 HA ALA 99 HA ALA 99 -11.910 5.496 -7.777 756 1HB ALA 99 HB3 ALA 99 -10.598 7.233 -8.915 757 2HB ALA 99 HB2 ALA 99 -9.238 6.120 -9.064 758 3HB ALA 99 HB1 ALA 99 -10.739 5.795 -9.930 759 H THR 100 HN THR 100 -8.595 4.183 -7.447 760 HA THR 100 HA THR 100 -9.175 1.805 -8.938 761 HB THR 100 HB THR 100 -7.130 2.056 -6.719 762 HG1 THR 100 HG1 THR 100 -6.425 3.586 -7.991 763 1HG2 THR 100 HG22 THR 100 -7.425 0.295 -9.167 764 2HG2 THR 100 HG21 THR 100 -5.927 0.427 -8.251 765 3HG2 THR 100 HG23 THR 100 -7.377 -0.215 -7.480 766 H ILE 101 HN ILE 101 -9.450 2.542 -5.478 767 HA ILE 101 HA ILE 101 -10.096 -0.104 -4.580 768 HB ILE 101 HB ILE 101 -10.905 2.637 -3.563 769 1HG1 ILE 101 HG12 ILE 101 -9.012 0.663 -2.270 770 2HG1 ILE 101 HG11 ILE 101 -8.442 1.734 -3.549 771 1HG2 ILE 101 HG22 ILE 101 -11.429 -0.120 -2.426 772 2HG2 ILE 101 HG21 ILE 101 -11.414 1.325 -1.415 773 3HG2 ILE 101 HG23 ILE 101 -12.590 1.174 -2.720 774 1HD1 ILE 101 HD12 ILE 101 -9.291 3.684 -2.226 775 2HD1 ILE 101 HD11 ILE 101 -9.712 2.571 -0.924 776 3HD1 ILE 101 HD13 ILE 101 -8.024 2.783 -1.394 777 H ASN 102 HN ASN 102 -12.182 2.605 -5.584 778 HA ASN 102 HA ASN 102 -14.671 1.232 -5.374 779 1HB ASN 102 HB2 ASN 102 -14.433 3.696 -5.720 780 2HB ASN 102 HB1 ASN 102 -13.868 3.386 -7.363 781 1HD2 ASN 102 HD22 ASN 102 -17.798 3.551 -6.702 782 2HD2 ASN 102 HD21 ASN 102 -16.628 4.124 -5.614 783 H GLU 103 HN GLU 103 -12.231 1.420 -7.870 784 HA GLU 103 HA GLU 103 -13.700 0.130 -9.957 785 1HB GLU 103 HB2 GLU 103 -11.566 1.495 -10.160 786 2HB GLU 103 HB1 GLU 103 -10.708 0.097 -9.521 787 1HG GLU 103 HG2 GLU 103 -11.723 -1.285 -11.373 788 2HG GLU 103 HG1 GLU 103 -12.314 0.220 -12.079 789 H LEU 104 HN LEU 104 -11.519 -1.115 -7.420 790 HA LEU 104 HA LEU 104 -12.008 -3.894 -8.371 791 1HB LEU 104 HB2 LEU 104 -10.104 -2.798 -6.291 792 2HB LEU 104 HB1 LEU 104 -10.204 -4.491 -6.769 793 HG LEU 104 HG LEU 104 -9.543 -2.176 -8.616 794 1HD1 LEU 104 HD13 LEU 104 -7.822 -4.280 -7.286 795 2HD1 LEU 104 HD12 LEU 104 -7.273 -3.288 -8.636 796 3HD1 LEU 104 HD11 LEU 104 -7.710 -2.529 -7.105 797 1HD2 LEU 104 HD22 LEU 104 -9.974 -5.127 -9.033 798 2HD2 LEU 104 HD21 LEU 104 -10.425 -3.773 -10.068 799 3HD2 LEU 104 HD23 LEU 104 -8.749 -4.312 -10.007 800 H VAL 105 HN VAL 105 -13.495 -1.808 -6.210 801 HA VAL 105 HA VAL 105 -13.819 -3.511 -3.916 802 HB VAL 105 HB VAL 105 -14.428 -1.006 -4.124 803 1HG1 VAL 105 HG12 VAL 105 -15.949 -1.554 -6.166 804 2HG1 VAL 105 HG11 VAL 105 -17.133 -2.054 -4.961 805 3HG1 VAL 105 HG13 VAL 105 -16.539 -0.392 -4.978 806 1HG2 VAL 105 HG22 VAL 105 -16.294 -3.015 -2.834 807 2HG2 VAL 105 HG21 VAL 105 -14.899 -2.229 -2.095 808 3HG2 VAL 105 HG23 VAL 105 -16.336 -1.285 -2.495 809 HA PRO 59 HA PRO 106 14.883 15.811 -13.463 810 1HB PRO 59 HB2 PRO 106 17.306 15.772 -11.689 811 2HB PRO 59 HB1 PRO 106 17.071 15.044 -13.291 812 1HG PRO 59 HG2 PRO 106 18.475 17.302 -12.966 813 2HG PRO 59 HG1 PRO 106 17.468 17.024 -14.398 814 1HD PRO 59 HD2 PRO 106 16.984 18.854 -12.094 815 2HD PRO 59 HD1 PRO 106 16.407 18.976 -13.771 816 H ALA 60 HN ALA 107 15.266 17.069 -10.158 817 HA ALA 60 HA ALA 107 14.265 14.506 -9.025 818 1HB ALA 60 HB2 ALA 107 16.141 15.846 -7.935 819 2HB ALA 60 HB1 ALA 107 14.923 17.053 -7.525 820 3HB ALA 60 HB3 ALA 107 14.799 15.419 -6.874 821 H THR 61 HN THR 108 12.125 14.224 -8.644 822 HA THR 61 HA THR 108 10.330 16.631 -8.691 823 HB THR 61 HB THR 108 9.626 13.701 -9.088 824 HG1 THR 61 HG1 THR 108 10.152 13.988 -11.086 825 1HG2 THR 61 HG21 THR 108 7.797 15.215 -8.284 826 2HG2 THR 61 HG23 THR 108 8.057 16.218 -9.710 827 3HG2 THR 61 HG22 THR 108 7.499 14.557 -9.890 828 H LEU 62 HN LEU 109 9.309 17.162 -6.819 829 HA LEU 62 HA LEU 109 9.860 15.764 -4.364 830 1HB LEU 62 HB2 LEU 109 7.862 17.916 -5.083 831 2HB LEU 62 HB1 LEU 109 8.073 17.316 -3.442 832 HG LEU 62 HG LEU 109 10.335 18.445 -5.117 833 1HD1 LEU 62 HD12 LEU 109 8.548 20.129 -4.686 834 2HD1 LEU 62 HD11 LEU 109 8.708 19.819 -2.958 835 3HD1 LEU 62 HD13 LEU 109 10.056 20.518 -3.856 836 1HD2 LEU 62 HD22 LEU 109 10.043 17.489 -2.269 837 2HD2 LEU 62 HD21 LEU 109 11.362 17.217 -3.408 838 3HD2 LEU 62 HD23 LEU 109 11.185 18.782 -2.623 839 H LYS 63 HN LYS 110 7.226 15.673 -6.667 840 HA LYS 63 HA LYS 110 5.313 14.318 -5.037 841 1HB LYS 63 HB2 LYS 110 5.719 14.135 -8.039 842 2HB LYS 63 HB1 LYS 110 4.269 13.640 -7.172 843 1HG LYS 63 HG2 LYS 110 5.388 16.455 -7.342 844 2HG LYS 63 HG1 LYS 110 3.934 15.859 -8.136 845 1HD LYS 63 HD2 LYS 110 3.182 15.249 -5.686 846 2HD LYS 63 HD1 LYS 110 4.401 16.429 -5.215 847 1HE LYS 63 HE2 LYS 110 2.135 16.979 -7.154 848 2HE LYS 63 HE1 LYS 110 2.134 17.432 -5.449 849 1HZ LYS 63 HZ2 LYS 110 4.469 18.432 -6.220 850 2HZ LYS 63 HZ1 LYS 110 3.601 18.588 -7.672 851 3HZ LYS 63 HZ3 LYS 110 3.020 19.317 -6.255 852 H ILE 64 HN ILE 111 8.240 13.254 -6.498 853 HA ILE 64 HA ILE 111 7.612 10.415 -5.716 854 HB ILE 64 HB ILE 111 9.164 11.411 -8.133 855 1HG1 ILE 64 HG12 ILE 111 6.746 11.430 -8.478 856 2HG1 ILE 64 HG11 ILE 111 7.473 10.126 -9.410 857 1HG2 ILE 64 HG21 ILE 111 8.869 8.639 -6.965 858 2HG2 ILE 64 HG23 ILE 111 9.348 8.922 -8.638 859 3HG2 ILE 64 HG22 ILE 111 10.361 9.512 -7.323 860 1HD1 ILE 64 HD13 ILE 111 6.916 8.733 -7.174 861 2HD1 ILE 64 HD12 ILE 111 5.688 9.982 -7.019 862 3HD1 ILE 64 HD11 ILE 111 5.726 8.958 -8.452 863 H CYS 65 HN CYS 112 9.276 9.392 -4.551 864 HA CYS 65 HA CYS 112 11.665 11.060 -3.900 865 1HB CYS 65 HB2 CYS 112 11.046 8.430 -2.553 866 2HB CYS 65 HB1 CYS 112 11.946 9.800 -1.927 867 H SER 66 HN SER 113 13.592 10.494 -4.876 868 HA SER 66 HA SER 113 13.591 8.217 -6.715 869 1HB SER 66 HB2 SER 113 15.810 10.138 -5.953 870 2HB SER 66 HB1 SER 113 15.870 8.986 -7.284 871 HG SER 66 HG SER 113 13.800 10.103 -7.918 872 H TRP 67 HN TRP 114 14.847 6.334 -6.542 873 HA TRP 67 HA TRP 114 15.505 5.484 -3.829 874 1HB TRP 67 HB2 TRP 114 15.789 4.126 -6.528 875 2HB TRP 67 HB1 TRP 114 16.241 3.360 -5.002 876 HD1 TRP 67 HD1 TRP 114 13.179 5.348 -6.265 877 HE1 TRP 67 HE1 TRP 114 11.053 4.170 -5.437 878 HE3 TRP 67 HE3 TRP 114 15.234 1.420 -3.731 879 HZ2 TRP 67 HZ2 TRP 114 10.328 1.903 -3.894 880 HZ3 TRP 67 HZ3 TRP 114 13.795 -0.231 -2.597 881 HH2 TRP 67 HH2 TRP 114 11.333 0.011 -2.693 882 H ASN 68 HN ASN 115 17.121 7.209 -6.231 883 HA ASN 68 HA ASN 115 19.774 6.271 -6.158 884 1HB ASN 68 HB2 ASN 115 18.744 9.131 -6.191 885 2HB ASN 68 HB1 ASN 115 20.428 8.684 -6.474 886 1HD2 ASN 68 HD22 ASN 115 18.426 6.678 -9.286 887 2HD2 ASN 68 HD21 ASN 115 18.506 6.192 -7.662 888 H VAL 69 HN VAL 116 17.844 7.400 -3.592 889 HA VAL 69 HA VAL 116 19.818 8.642 -1.942 890 HB VAL 69 HB VAL 116 18.300 7.874 -0.039 891 1HG1 VAL 69 HG12 VAL 116 18.051 10.030 -1.340 892 2HG1 VAL 69 HG11 VAL 116 16.881 9.202 -2.366 893 3HG1 VAL 69 HG13 VAL 116 16.548 9.423 -0.648 894 1HG2 VAL 69 HG23 VAL 116 17.523 5.815 -1.296 895 2HG2 VAL 69 HG22 VAL 116 16.216 6.787 -0.626 896 3HG2 VAL 69 HG21 VAL 116 16.594 6.885 -2.341 897 H ASP 70 HN ASP 117 21.365 7.780 -0.584 898 HA ASP 70 HA ASP 117 22.413 5.190 -1.114 899 1HB ASP 70 HB2 ASP 117 22.794 7.056 1.244 900 2HB ASP 70 HB1 ASP 117 23.713 5.565 1.034 901 H GLY 71 HN GLY 118 20.223 6.347 1.418 902 1HA GLY 71 HA2 GLY 118 18.957 5.165 3.002 903 2HA GLY 71 HA1 GLY 118 18.846 3.920 1.757 No H/Q in entry = 903 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -8.184 -2.374 7.486 2 2H MET 1 HT3 MET 1 -8.738 -3.232 8.839 3 3H MET 1 HT2 MET 1 -9.599 -1.879 8.281 4 HA MET 1 HA MET 1 -8.322 -0.439 9.377 5 1HB MET 1 HB2 MET 1 -7.308 -3.021 10.606 6 2HB MET 1 HB1 MET 1 -7.115 -1.422 11.318 7 1HG MET 1 HG2 MET 1 -9.783 -2.699 10.653 8 2HG MET 1 HG1 MET 1 -9.067 -2.657 12.261 9 1HE MET 1 HE2 MET 1 -9.180 -0.950 13.843 10 2HE MET 1 HE1 MET 1 -7.951 -0.012 12.996 11 3HE MET 1 HE3 MET 1 -9.425 0.774 13.577 12 H VAL 2 HN VAL 2 -5.802 -0.349 10.376 13 HA VAL 2 HA VAL 2 -4.125 -0.420 7.909 14 HB VAL 2 HB VAL 2 -3.757 0.973 10.577 15 1HG1 VAL 2 HG11 VAL 2 -2.014 0.731 8.125 16 2HG1 VAL 2 HG13 VAL 2 -1.976 2.207 9.090 17 3HG1 VAL 2 HG12 VAL 2 -1.559 0.664 9.828 18 1HG2 VAL 2 HG22 VAL 2 -5.579 1.780 9.002 19 2HG2 VAL 2 HG21 VAL 2 -4.334 2.969 9.364 20 3HG2 VAL 2 HG23 VAL 2 -4.310 2.117 7.824 21 H LYS 3 HN LYS 3 -2.399 -1.821 7.748 22 HA LYS 3 HA LYS 3 -1.462 -3.254 10.210 23 1HB LYS 3 HB2 LYS 3 -2.940 -4.694 8.738 24 2HB LYS 3 HB1 LYS 3 -1.774 -4.462 7.444 25 1HG LYS 3 HG2 LYS 3 -1.083 -6.506 8.363 26 2HG LYS 3 HG1 LYS 3 -0.028 -5.359 9.182 27 1HD LYS 3 HD2 LYS 3 -1.540 -5.344 11.131 28 2HD LYS 3 HD1 LYS 3 -2.626 -6.454 10.300 29 1HE LYS 3 HE2 LYS 3 -0.889 -8.173 10.254 30 2HE LYS 3 HE1 LYS 3 0.268 -7.059 10.980 31 1HZ LYS 3 HZ1 LYS 3 -2.296 -7.739 12.291 32 2HZ LYS 3 HZ3 LYS 3 -0.891 -8.659 12.533 33 3HZ LYS 3 HZ2 LYS 3 -0.919 -7.021 12.980 34 H GLN 4 HN GLN 4 0.719 -3.096 10.444 35 HA GLN 4 HA GLN 4 2.290 -1.939 8.193 36 1HB GLN 4 HB2 GLN 4 2.456 -0.869 10.424 37 2HB GLN 4 HB1 GLN 4 3.041 -2.389 11.100 38 1HG GLN 4 HG2 GLN 4 4.979 -2.330 9.550 39 2HG GLN 4 HG1 GLN 4 4.397 -0.793 8.903 40 1HE2 GLN 4 HE22 GLN 4 6.649 0.541 11.346 41 2HE2 GLN 4 HE21 GLN 4 6.487 0.144 9.704 42 H ILE 5 HN ILE 5 3.510 -3.284 6.968 43 HA ILE 5 HA ILE 5 4.113 -6.037 7.969 44 HB ILE 5 HB ILE 5 4.375 -4.945 5.162 45 1HG1 ILE 5 HG12 ILE 5 2.053 -4.707 5.859 46 2HG1 ILE 5 HG11 ILE 5 2.183 -6.077 4.757 47 1HG2 ILE 5 HG22 ILE 5 4.379 -7.709 6.380 48 2HG2 ILE 5 HG21 ILE 5 4.082 -7.428 4.671 49 3HG2 ILE 5 HG23 ILE 5 5.623 -6.956 5.378 50 1HD1 ILE 5 HD11 ILE 5 2.474 -7.507 6.930 51 2HD1 ILE 5 HD13 ILE 5 1.802 -6.097 7.750 52 3HD1 ILE 5 HD12 ILE 5 0.861 -6.931 6.515 53 H GLU 6 HN GLU 6 6.123 -6.239 8.825 54 HA GLU 6 HA GLU 6 8.258 -4.344 7.957 55 1HB GLU 6 HB2 GLU 6 8.169 -6.307 10.271 56 2HB GLU 6 HB1 GLU 6 9.445 -5.128 9.961 57 1HG GLU 6 HG2 GLU 6 6.556 -4.315 10.295 58 2HG GLU 6 HG1 GLU 6 7.668 -4.427 11.659 59 H SER 7 HN SER 7 7.161 -7.384 7.140 60 HA SER 7 HA SER 7 9.745 -8.038 5.889 61 1HB SER 7 HB2 SER 7 9.813 -10.318 6.851 62 2HB SER 7 HB1 SER 7 9.977 -9.075 8.097 63 HG SER 7 HG SER 7 7.517 -10.285 7.336 64 H LYS 8 HN LYS 8 9.560 -9.754 4.276 65 HA LYS 8 HA LYS 8 7.061 -9.724 2.844 66 1HB LYS 8 HB2 LYS 8 9.360 -10.222 1.837 67 2HB LYS 8 HB1 LYS 8 9.229 -11.824 2.566 68 1HG LYS 8 HG2 LYS 8 6.913 -11.943 1.372 69 2HG LYS 8 HG1 LYS 8 7.527 -10.604 0.397 70 1HD LYS 8 HD2 LYS 8 8.861 -13.309 0.731 71 2HD LYS 8 HD1 LYS 8 7.978 -12.766 -0.697 72 1HE LYS 8 HE2 LYS 8 10.567 -11.668 0.408 73 2HE LYS 8 HE1 LYS 8 10.284 -12.389 -1.174 74 1HZ LYS 8 HZ1 LYS 8 9.027 -9.872 -0.223 75 2HZ LYS 8 HZ3 LYS 8 10.394 -9.947 -1.222 76 3HZ LYS 8 HZ2 LYS 8 8.906 -10.543 -1.779 77 H THR 9 HN THR 9 8.503 -11.853 5.232 78 HA THR 9 HA THR 9 6.861 -14.119 4.909 79 HB THR 9 HB THR 9 7.852 -12.927 7.506 80 HG1 THR 9 HG1 THR 9 8.969 -14.777 5.672 81 1HG2 THR 9 HG21 THR 9 6.777 -15.649 6.758 82 2HG2 THR 9 HG23 THR 9 7.737 -15.373 8.210 83 3HG2 THR 9 HG22 THR 9 6.188 -14.559 8.013 84 H ALA 10 HN ALA 10 6.279 -11.228 6.908 85 HA ALA 10 HA ALA 10 3.643 -12.083 7.706 86 1HB ALA 10 HB1 ALA 10 5.099 -9.441 7.777 87 2HB ALA 10 HB3 ALA 10 3.404 -9.555 8.246 88 3HB ALA 10 HB2 ALA 10 4.625 -10.468 9.125 89 H PHE 11 HN PHE 11 4.943 -10.308 4.975 90 HA PHE 11 HA PHE 11 2.568 -9.082 4.012 91 1HB PHE 11 HB2 PHE 11 4.922 -8.776 3.096 92 2HB PHE 11 HB1 PHE 11 4.765 -10.334 2.325 93 HD1 PHE 11 HD1 PHE 11 2.798 -7.139 2.639 94 HD2 PHE 11 HD2 PHE 11 4.069 -10.366 0.098 95 HE1 PHE 11 HE1 PHE 11 1.660 -6.080 0.713 96 HE2 PHE 11 HE2 PHE 11 2.923 -9.306 -1.823 97 HZ PHE 11 HZ PHE 11 1.713 -7.163 -1.520 98 H GLN 12 HN GLN 12 3.901 -12.333 3.398 99 HA GLN 12 HA GLN 12 1.809 -13.167 1.609 100 1HB GLN 12 HB2 GLN 12 3.497 -14.854 3.496 101 2HB GLN 12 HB1 GLN 12 2.598 -15.447 2.102 102 1HG GLN 12 HG2 GLN 12 3.988 -13.722 0.734 103 2HG GLN 12 HG1 GLN 12 5.050 -13.677 2.149 104 1HE2 GLN 12 HE22 GLN 12 6.732 -16.433 0.690 105 2HE2 GLN 12 HE21 GLN 12 6.826 -14.802 1.147 106 H GLU 13 HN GLU 13 2.230 -13.441 5.117 107 HA GLU 13 HA GLU 13 -0.160 -14.922 5.661 108 1HB GLU 13 HB2 GLU 13 1.654 -13.151 7.273 109 2HB GLU 13 HB1 GLU 13 0.162 -13.730 7.993 110 1HG GLU 13 HG2 GLU 13 1.974 -15.265 8.543 111 2HG GLU 13 HG1 GLU 13 0.841 -16.063 7.456 112 H ALA 14 HN ALA 14 0.458 -11.431 5.451 113 HA ALA 14 HA ALA 14 -2.145 -10.652 6.381 114 1HB ALA 14 HB3 ALA 14 -0.098 -9.150 6.189 115 2HB ALA 14 HB2 ALA 14 -0.403 -9.088 4.454 116 3HB ALA 14 HB1 ALA 14 -1.599 -8.454 5.583 117 H LEU 15 HN LEU 15 -0.827 -11.289 3.135 118 HA LEU 15 HA LEU 15 -3.148 -10.524 1.670 119 1HB LEU 15 HB2 LEU 15 -1.007 -12.604 1.125 120 2HB LEU 15 HB1 LEU 15 -2.250 -12.174 -0.051 121 HG LEU 15 HG LEU 15 -0.400 -10.134 1.214 122 1HD1 LEU 15 HD11 LEU 15 -0.053 -11.818 -1.267 123 2HD1 LEU 15 HD13 LEU 15 0.718 -10.237 -1.124 124 3HD1 LEU 15 HD12 LEU 15 1.107 -11.516 0.028 125 1HD2 LEU 15 HD21 LEU 15 -2.395 -10.119 -1.045 126 2HD2 LEU 15 HD23 LEU 15 -2.221 -8.974 0.277 127 3HD2 LEU 15 HD22 LEU 15 -1.062 -8.970 -1.042 128 H ASP 16 HN ASP 16 -2.189 -13.543 3.231 129 HA ASP 16 HA ASP 16 -4.460 -15.083 2.369 130 1HB ASP 16 HB2 ASP 16 -2.266 -15.984 3.288 131 2HB ASP 16 HB1 ASP 16 -2.843 -15.514 4.886 132 H ALA 17 HN ALA 17 -3.819 -13.054 5.195 133 HA ALA 17 HA ALA 17 -6.165 -13.840 6.655 134 1HB ALA 17 HB3 ALA 17 -4.473 -11.327 6.782 135 2HB ALA 17 HB2 ALA 17 -5.754 -11.711 7.933 136 3HB ALA 17 HB1 ALA 17 -4.333 -12.751 7.816 137 H ALA 18 HN ALA 18 -5.514 -11.296 4.287 138 HA ALA 18 HA ALA 18 -7.966 -9.873 4.559 139 1HB ALA 18 HB3 ALA 18 -6.116 -10.300 2.215 140 2HB ALA 18 HB2 ALA 18 -7.543 -9.267 2.109 141 3HB ALA 18 HB1 ALA 18 -6.249 -8.873 3.241 142 H GLY 19 HN GLY 19 -7.171 -12.827 2.787 143 1HA GLY 19 HA2 GLY 19 -8.604 -14.455 1.874 144 2HA GLY 19 HA1 GLY 19 -9.931 -13.658 2.724 145 H ASP 20 HN ASP 20 -11.480 -13.087 1.284 146 HA ASP 20 HA ASP 20 -10.738 -12.462 -1.506 147 1HB ASP 20 HB2 ASP 20 -13.451 -12.647 -0.170 148 2HB ASP 20 HB1 ASP 20 -13.167 -12.476 -1.902 149 H LYS 21 HN LYS 21 -10.826 -10.671 1.253 150 HA LYS 21 HA LYS 21 -12.358 -8.369 0.357 151 1HB LYS 21 HB2 LYS 21 -10.225 -8.672 2.495 152 2HB LYS 21 HB1 LYS 21 -11.137 -7.189 2.222 153 1HG LYS 21 HG2 LYS 21 -13.250 -8.631 2.503 154 2HG LYS 21 HG1 LYS 21 -12.176 -9.871 3.154 155 1HD LYS 21 HD2 LYS 21 -11.298 -8.039 4.739 156 2HD LYS 21 HD1 LYS 21 -12.708 -7.101 4.249 157 1HE LYS 21 HE2 LYS 21 -14.150 -9.058 4.927 158 2HE LYS 21 HE1 LYS 21 -12.702 -9.819 5.588 159 1HZ LYS 21 HZ3 LYS 21 -12.396 -7.796 6.962 160 2HZ LYS 21 HZ2 LYS 21 -13.905 -7.235 6.420 161 3HZ LYS 21 HZ1 LYS 21 -13.805 -8.662 7.337 162 H LEU 22 HN LEU 22 -11.479 -6.336 -0.417 163 HA LEU 22 HA LEU 22 -9.340 -6.605 -2.285 164 1HB LEU 22 HB2 LEU 22 -11.309 -4.727 -1.804 165 2HB LEU 22 HB1 LEU 22 -9.884 -3.878 -1.226 166 HG LEU 22 HG LEU 22 -10.321 -5.018 -3.991 167 1HD1 LEU 22 HD12 LEU 22 -10.680 -2.361 -2.763 168 2HD1 LEU 22 HD11 LEU 22 -9.612 -2.299 -4.163 169 3HD1 LEU 22 HD13 LEU 22 -11.237 -2.964 -4.321 170 1HD2 LEU 22 HD23 LEU 22 -7.844 -3.893 -2.666 171 2HD2 LEU 22 HD22 LEU 22 -7.999 -5.359 -3.640 172 3HD2 LEU 22 HD21 LEU 22 -8.064 -3.780 -4.409 173 H VAL 23 HN VAL 23 -7.182 -5.522 -2.077 174 HA VAL 23 HA VAL 23 -6.314 -4.938 0.692 175 HB VAL 23 HB VAL 23 -4.981 -6.992 -1.091 176 1HG1 VAL 23 HG13 VAL 23 -4.318 -5.801 1.598 177 2HG1 VAL 23 HG12 VAL 23 -3.651 -7.341 1.069 178 3HG1 VAL 23 HG11 VAL 23 -3.297 -5.871 0.164 179 1HG2 VAL 23 HG23 VAL 23 -6.624 -7.223 1.436 180 2HG2 VAL 23 HG22 VAL 23 -6.963 -7.953 -0.137 181 3HG2 VAL 23 HG21 VAL 23 -5.594 -8.516 0.820 182 H VAL 24 HN VAL 24 -5.176 -3.123 0.587 183 HA VAL 24 HA VAL 24 -3.802 -2.430 -1.982 184 HB VAL 24 HB VAL 24 -4.730 -0.577 0.237 185 1HG1 VAL 24 HG12 VAL 24 -2.809 0.198 -1.175 186 2HG1 VAL 24 HG11 VAL 24 -3.823 -0.012 -2.601 187 3HG1 VAL 24 HG13 VAL 24 -4.256 1.185 -1.382 188 1HG2 VAL 24 HG22 VAL 24 -5.997 -1.380 -2.398 189 2HG2 VAL 24 HG21 VAL 24 -6.695 -1.509 -0.782 190 3HG2 VAL 24 HG23 VAL 24 -6.457 0.077 -1.516 191 H VAL 25 HN VAL 25 -1.597 -1.931 -1.872 192 HA VAL 25 HA VAL 25 -0.305 -2.114 0.842 193 HB VAL 25 HB VAL 25 0.817 -3.083 -1.804 194 1HG1 VAL 25 HG11 VAL 25 2.427 -2.370 0.028 195 2HG1 VAL 25 HG13 VAL 25 1.740 -3.664 1.010 196 3HG1 VAL 25 HG12 VAL 25 2.576 -4.046 -0.493 197 1HG2 VAL 25 HG22 VAL 25 -1.172 -4.393 -0.995 198 2HG2 VAL 25 HG21 VAL 25 0.318 -5.329 -1.037 199 3HG2 VAL 25 HG23 VAL 25 -0.289 -4.709 0.494 200 H ASP 26 HN ASP 26 0.653 -0.213 1.358 201 HA ASP 26 HA ASP 26 1.408 1.694 -0.822 202 1HB ASP 26 HB2 ASP 26 0.012 2.493 1.096 203 2HB ASP 26 HB1 ASP 26 1.337 2.106 2.191 204 H PHE 27 HN PHE 27 3.526 1.682 -1.467 205 HA PHE 27 HA PHE 27 5.625 0.555 0.330 206 1HB PHE 27 HB2 PHE 27 5.557 1.192 -2.624 207 2HB PHE 27 HB1 PHE 27 7.062 0.810 -1.788 208 HD1 PHE 27 HD1 PHE 27 7.303 -1.407 -0.612 209 HD2 PHE 27 HD2 PHE 27 4.002 -0.518 -3.214 210 HE1 PHE 27 HE1 PHE 27 6.819 -3.829 -0.828 211 HE2 PHE 27 HE2 PHE 27 3.522 -2.933 -3.413 212 HZ PHE 27 HZ PHE 27 4.925 -4.595 -2.232 213 H SER 28 HN SER 28 4.395 3.319 0.616 214 HA SER 28 HA SER 28 6.227 5.290 -0.275 215 1HB SER 28 HB2 SER 28 4.590 5.277 2.271 216 2HB SER 28 HB1 SER 28 5.337 6.691 1.548 217 HG SER 28 HG SER 28 3.569 5.033 0.103 218 H ALA 29 HN ALA 29 8.006 6.264 0.673 219 HA ALA 29 HA ALA 29 9.552 4.527 2.472 220 1HB ALA 29 HB1 ALA 29 10.095 7.010 0.871 221 2HB ALA 29 HB3 ALA 29 11.177 6.630 2.213 222 3HB ALA 29 HB2 ALA 29 10.974 5.487 0.881 223 H THR 30 HN THR 30 9.536 4.792 4.652 224 HA THR 30 HA THR 30 7.885 6.813 5.864 225 HB THR 30 HB THR 30 8.320 4.658 6.985 226 HG1 THR 30 HG1 THR 30 8.597 5.528 8.982 227 1HG2 THR 30 HG22 THR 30 10.785 4.662 6.118 228 2HG2 THR 30 HG21 THR 30 11.122 5.589 7.580 229 3HG2 THR 30 HG23 THR 30 10.446 3.967 7.702 230 H TRP 31 HN TRP 31 11.328 6.510 5.154 231 HA TRP 31 HA TRP 31 12.125 8.845 6.680 232 1HB TRP 31 HB2 TRP 31 14.224 8.697 5.439 233 2HB TRP 31 HB1 TRP 31 13.734 7.103 6.009 234 HD1 TRP 31 HD1 TRP 31 13.228 5.293 4.251 235 HE1 TRP 31 HE1 TRP 31 13.437 5.175 1.675 236 HE3 TRP 31 HE3 TRP 31 13.845 10.234 3.215 237 HZ2 TRP 31 HZ2 TRP 31 13.792 6.971 -0.532 238 HZ3 TRP 31 HZ3 TRP 31 14.100 11.013 0.878 239 HH2 TRP 31 HH2 TRP 31 14.075 9.394 -0.992 240 H CYS 32 HN CYS 32 10.810 8.381 3.454 241 HA CYS 32 HA CYS 32 11.609 11.066 2.568 242 1HB CYS 32 HB2 CYS 32 11.217 9.047 1.031 243 2HB CYS 32 HB1 CYS 32 9.496 9.272 1.324 244 H GLY 33 HN GLY 33 10.666 12.766 3.486 245 1HA GLY 33 HA2 GLY 33 8.288 12.723 5.017 246 2HA GLY 33 HA1 GLY 33 9.043 14.183 4.382 247 HA PRO 34 HA PRO 34 6.121 14.803 1.117 248 1HB PRO 34 HB2 PRO 34 7.555 13.195 -0.952 249 2HB PRO 34 HB1 PRO 34 7.049 14.892 -1.000 250 1HG PRO 34 HG2 PRO 34 9.654 14.115 -0.669 251 2HG PRO 34 HG1 PRO 34 9.009 15.640 -0.046 252 1HD PRO 34 HD2 PRO 34 9.810 13.222 1.445 253 2HD PRO 34 HD1 PRO 34 9.594 14.879 2.050 254 H ALA 35 HN ALA 35 7.376 11.463 1.085 255 HA ALA 35 HA ALA 35 4.863 10.339 0.130 256 1HB ALA 35 HB3 ALA 35 7.406 9.387 0.192 257 2HB ALA 35 HB2 ALA 35 6.777 8.606 1.640 258 3HB ALA 35 HB1 ALA 35 6.000 8.333 0.079 259 H LYS 36 HN LYS 36 6.513 10.516 3.298 260 HA LYS 36 HA LYS 36 4.490 9.193 4.814 261 1HB LYS 36 HB2 LYS 36 6.776 9.775 5.671 262 2HB LYS 36 HB1 LYS 36 6.288 11.468 5.728 263 1HG LYS 36 HG2 LYS 36 4.460 10.887 7.294 264 2HG LYS 36 HG1 LYS 36 4.971 9.200 7.261 265 1HD LYS 36 HD2 LYS 36 7.184 9.861 8.158 266 2HD LYS 36 HD1 LYS 36 6.655 11.543 8.214 267 1HE LYS 36 HE2 LYS 36 6.363 10.647 10.428 268 2HE LYS 36 HE1 LYS 36 4.753 10.788 9.719 269 1HZ LYS 36 HZ2 LYS 36 5.930 8.280 9.091 270 2HZ LYS 36 HZ1 LYS 36 5.897 8.522 10.771 271 3HZ LYS 36 HZ3 LYS 36 4.462 8.611 9.877 272 H MET 37 HN MET 37 4.759 12.443 3.572 273 HA MET 37 HA MET 37 2.784 13.743 5.139 274 1HB MET 37 HB2 MET 37 4.371 14.846 3.526 275 2HB MET 37 HB1 MET 37 3.376 14.229 2.208 276 1HG MET 37 HG2 MET 37 2.644 16.478 2.658 277 2HG MET 37 HG1 MET 37 1.398 15.396 3.274 278 1HE MET 37 HE3 MET 37 2.014 18.451 3.909 279 2HE MET 37 HE2 MET 37 0.598 17.629 4.559 280 3HE MET 37 HE1 MET 37 1.646 18.549 5.637 281 H ILE 38 HN ILE 38 2.496 11.547 2.411 282 HA ILE 38 HA ILE 38 -0.348 12.117 2.000 283 HB ILE 38 HB ILE 38 1.089 9.683 0.919 284 1HG1 ILE 38 HG12 ILE 38 1.255 12.525 -0.135 285 2HG1 ILE 38 HG11 ILE 38 2.594 11.606 0.563 286 1HG2 ILE 38 HG22 ILE 38 -1.420 10.197 0.551 287 2HG2 ILE 38 HG21 ILE 38 -0.879 11.537 -0.450 288 3HG2 ILE 38 HG23 ILE 38 -0.453 9.884 -0.884 289 1HD1 ILE 38 HD13 ILE 38 2.053 9.826 -1.231 290 2HD1 ILE 38 HD12 ILE 38 1.117 11.097 -2.012 291 3HD1 ILE 38 HD11 ILE 38 2.851 11.304 -1.763 292 H LYS 39 HN LYS 39 1.301 10.287 4.346 293 HA LYS 39 HA LYS 39 -0.267 7.938 4.295 294 1HB LYS 39 HB2 LYS 39 0.517 7.358 6.413 295 2HB LYS 39 HB1 LYS 39 1.810 8.323 5.731 296 1HG LYS 39 HG2 LYS 39 1.358 10.161 7.144 297 2HG LYS 39 HG1 LYS 39 -0.266 9.603 7.539 298 1HD LYS 39 HD2 LYS 39 2.297 8.208 8.351 299 2HD LYS 39 HD1 LYS 39 1.344 9.262 9.396 300 1HE LYS 39 HE2 LYS 39 0.348 7.296 10.034 301 2HE LYS 39 HE1 LYS 39 -0.590 7.506 8.559 302 1HZ LYS 39 HZ2 LYS 39 1.977 6.272 8.133 303 2HZ LYS 39 HZ1 LYS 39 0.956 5.368 9.146 304 3HZ LYS 39 HZ3 LYS 39 0.437 5.798 7.590 305 HA PRO 40 HA PRO 40 -3.321 10.164 7.386 306 1HB PRO 40 HB2 PRO 40 -3.754 12.616 5.735 307 2HB PRO 40 HB1 PRO 40 -3.671 12.447 7.500 308 1HG PRO 40 HG2 PRO 40 -1.665 13.585 6.129 309 2HG PRO 40 HG1 PRO 40 -1.339 12.548 7.527 310 1HD PRO 40 HD2 PRO 40 -1.084 11.915 4.621 311 2HD PRO 40 HD1 PRO 40 -0.034 11.402 5.956 312 H PHE 41 HN PHE 41 -3.425 10.738 3.849 313 HA PHE 41 HA PHE 41 -6.272 10.181 3.649 314 1HB PHE 41 HB2 PHE 41 -4.041 10.071 1.589 315 2HB PHE 41 HB1 PHE 41 -5.748 9.898 1.215 316 HD1 PHE 41 HD2 PHE 41 -3.274 12.202 2.738 317 HD2 PHE 41 HD1 PHE 41 -7.130 11.781 0.908 318 HE1 PHE 41 HE2 PHE 41 -3.478 14.667 2.617 319 HE2 PHE 41 HE1 PHE 41 -7.343 14.250 0.783 320 HZ PHE 41 HZ PHE 41 -5.514 15.693 1.637 321 H PHE 42 HN PHE 42 -3.339 8.286 2.857 322 HA PHE 42 HA PHE 42 -4.674 5.872 2.163 323 1HB PHE 42 HB2 PHE 42 -2.276 6.311 1.726 324 2HB PHE 42 HB1 PHE 42 -1.947 6.276 3.462 325 HD1 PHE 42 HD1 PHE 42 -3.173 4.231 0.600 326 HD2 PHE 42 HD2 PHE 42 -1.664 4.223 4.624 327 HE1 PHE 42 HE1 PHE 42 -3.000 1.759 0.535 328 HE2 PHE 42 HE2 PHE 42 -1.488 1.750 4.553 329 HZ PHE 42 HZ PHE 42 -2.164 0.514 2.510 330 H HIS 43 HN HIS 43 -3.364 6.968 5.281 331 HA HIS 43 HA HIS 43 -4.290 4.708 6.812 332 1HB HIS 43 HB2 HIS 43 -2.450 6.167 7.541 333 2HB HIS 43 HB1 HIS 43 -3.558 7.529 7.655 334 HD1 HIS 43 HD1 HIS 43 -2.436 4.483 9.438 335 HD2 HIS 43 HD2 HIS 43 -5.428 7.340 9.831 336 HE1 HIS 43 HE1 HIS 43 -3.451 4.139 11.732 337 H SER 44 HN SER 44 -5.640 7.955 6.191 338 HA SER 44 HA SER 44 -7.859 7.690 7.963 339 1HB SER 44 HB2 SER 44 -7.547 9.380 5.472 340 2HB SER 44 HB1 SER 44 -8.938 9.471 6.542 341 HG SER 44 HG SER 44 -7.524 10.973 7.295 342 H LEU 45 HN LEU 45 -7.420 6.752 4.573 343 HA LEU 45 HA LEU 45 -10.145 6.128 4.007 344 1HB LEU 45 HB2 LEU 45 -7.576 5.031 2.880 345 2HB LEU 45 HB1 LEU 45 -9.146 4.529 2.283 346 HG LEU 45 HG LEU 45 -8.296 7.433 2.432 347 1HD1 LEU 45 HD11 LEU 45 -8.134 5.495 0.101 348 2HD1 LEU 45 HD13 LEU 45 -7.874 7.236 -0.012 349 3HD1 LEU 45 HD12 LEU 45 -6.771 6.240 0.935 350 1HD2 LEU 45 HD22 LEU 45 -10.671 5.940 1.345 351 2HD2 LEU 45 HD21 LEU 45 -10.608 7.476 2.204 352 3HD2 LEU 45 HD23 LEU 45 -10.140 7.398 0.510 353 H SER 46 HN SER 46 -7.707 4.324 5.768 354 HA SER 46 HA SER 46 -8.734 1.726 5.589 355 1HB SER 46 HB2 SER 46 -7.642 3.105 8.060 356 2HB SER 46 HB1 SER 46 -7.827 1.366 7.875 357 HG SER 46 HG SER 46 -6.323 2.986 6.089 358 H GLU 47 HN GLU 47 -9.894 4.441 7.559 359 HA GLU 47 HA GLU 47 -12.018 2.765 8.733 360 1HB GLU 47 HB2 GLU 47 -11.339 5.718 8.967 361 2HB GLU 47 HB1 GLU 47 -12.721 4.972 9.767 362 1HG GLU 47 HG2 GLU 47 -10.953 4.993 11.379 363 2HG GLU 47 HG1 GLU 47 -11.075 3.328 10.812 364 H LYS 48 HN LYS 48 -11.580 4.716 5.887 365 HA LYS 48 HA LYS 48 -14.425 5.391 5.622 366 1HB LYS 48 HB2 LYS 48 -12.622 6.783 4.528 367 2HB LYS 48 HB1 LYS 48 -12.315 5.427 3.436 368 1HG LYS 48 HG2 LYS 48 -14.735 5.492 2.755 369 2HG LYS 48 HG1 LYS 48 -14.933 6.936 3.741 370 1HD LYS 48 HD2 LYS 48 -12.810 6.818 1.605 371 2HD LYS 48 HD1 LYS 48 -14.471 7.233 1.200 372 1HE LYS 48 HE2 LYS 48 -14.398 9.057 2.896 373 2HE LYS 48 HE1 LYS 48 -12.700 8.678 3.190 374 1HZ LYS 48 HZ1 LYS 48 -12.996 8.906 0.449 375 2HZ LYS 48 HZ3 LYS 48 -13.840 10.216 1.115 376 3HZ LYS 48 HZ2 LYS 48 -12.202 9.982 1.495 377 H TYR 49 HN TYR 49 -12.168 2.978 4.440 378 HA TYR 49 HA TYR 49 -14.508 1.380 3.407 379 1HB TYR 49 HB2 TYR 49 -11.629 1.485 2.411 380 2HB TYR 49 HB1 TYR 49 -12.822 0.305 1.865 381 HD1 TYR 49 HD2 TYR 49 -15.075 1.279 0.945 382 HD2 TYR 49 HD1 TYR 49 -11.450 3.559 1.312 383 HE1 TYR 49 HE2 TYR 49 -15.941 2.921 -0.698 384 HE2 TYR 49 HE1 TYR 49 -12.320 5.198 -0.331 385 HH TYR 49 HH TYR 49 -15.395 4.675 -2.010 386 H SER 50 HN SER 50 -14.359 0.973 5.883 387 HA SER 50 HA SER 50 -12.224 -0.571 6.974 388 1HB SER 50 HB2 SER 50 -13.689 -0.998 8.802 389 2HB SER 50 HB1 SER 50 -14.108 0.605 8.234 390 HG SER 50 HG SER 50 -15.833 -0.319 7.082 391 H ASN 51 HN ASN 51 -14.420 -1.298 4.562 392 HA ASN 51 HA ASN 51 -14.535 -4.196 5.133 393 1HB ASN 51 HB2 ASN 51 -16.492 -2.915 4.163 394 2HB ASN 51 HB1 ASN 51 -15.536 -2.714 2.696 395 1HD2 ASN 51 HD22 ASN 51 -16.380 -5.907 1.511 396 2HD2 ASN 51 HD21 ASN 51 -15.854 -4.330 1.171 397 H VAL 52 HN VAL 52 -12.249 -2.200 4.038 398 HA VAL 52 HA VAL 52 -11.123 -4.214 2.132 399 HB VAL 52 HB VAL 52 -10.977 -1.183 2.053 400 1HG1 VAL 52 HG12 VAL 52 -9.165 -3.270 0.882 401 2HG1 VAL 52 HG11 VAL 52 -9.542 -1.859 -0.110 402 3HG1 VAL 52 HG13 VAL 52 -8.782 -1.656 1.466 403 1HG2 VAL 52 HG23 VAL 52 -11.969 -3.307 0.128 404 2HG2 VAL 52 HG22 VAL 52 -12.936 -2.087 0.952 405 3HG2 VAL 52 HG21 VAL 52 -11.793 -1.605 -0.301 406 H ILE 53 HN ILE 53 -8.849 -4.626 2.464 407 HA ILE 53 HA ILE 53 -7.908 -3.766 5.177 408 HB ILE 53 HB ILE 53 -6.675 -5.855 3.360 409 1HG1 ILE 53 HG12 ILE 53 -8.981 -6.513 3.733 410 2HG1 ILE 53 HG11 ILE 53 -7.951 -7.502 4.763 411 1HG2 ILE 53 HG22 ILE 53 -5.498 -4.786 5.468 412 2HG2 ILE 53 HG21 ILE 53 -6.595 -5.815 6.379 413 3HG2 ILE 53 HG23 ILE 53 -5.454 -6.530 5.243 414 1HD1 ILE 53 HD12 ILE 53 -8.410 -5.659 6.569 415 2HD1 ILE 53 HD11 ILE 53 -9.775 -5.238 5.541 416 3HD1 ILE 53 HD13 ILE 53 -9.660 -6.853 6.231 417 H PHE 54 HN PHE 54 -6.399 -2.158 5.287 418 HA PHE 54 HA PHE 54 -4.815 -1.499 2.829 419 1HB PHE 54 HB2 PHE 54 -5.453 0.103 5.321 420 2HB PHE 54 HB1 PHE 54 -4.320 0.641 4.084 421 HD1 PHE 54 HD1 PHE 54 -7.854 -0.460 4.589 422 HD2 PHE 54 HD2 PHE 54 -5.107 1.743 2.146 423 HE1 PHE 54 HE1 PHE 54 -9.745 0.452 3.276 424 HE2 PHE 54 HE2 PHE 54 -6.995 2.648 0.818 425 HZ PHE 54 HZ PHE 54 -9.316 1.998 1.386 426 H LEU 55 HN LEU 55 -2.665 -2.012 2.809 427 HA LEU 55 HA LEU 55 -1.291 -2.618 5.408 428 1HB LEU 55 HB2 LEU 55 -0.693 -3.675 2.626 429 2HB LEU 55 HB1 LEU 55 0.395 -3.886 3.994 430 HG LEU 55 HG LEU 55 -1.306 -5.167 5.190 431 1HD1 LEU 55 HD13 LEU 55 -3.057 -4.284 2.913 432 2HD1 LEU 55 HD12 LEU 55 -3.380 -5.830 3.706 433 3HD1 LEU 55 HD11 LEU 55 -3.390 -4.350 4.642 434 1HD2 LEU 55 HD21 LEU 55 -0.754 -6.011 2.339 435 2HD2 LEU 55 HD23 LEU 55 0.072 -6.525 3.809 436 3HD2 LEU 55 HD22 LEU 55 -1.573 -7.069 3.481 437 H GLU 56 HN GLU 56 0.649 -1.614 5.843 438 HA GLU 56 HA GLU 56 1.551 0.484 3.894 439 1HB GLU 56 HB2 GLU 56 0.726 1.308 6.135 440 2HB GLU 56 HB1 GLU 56 2.040 0.401 6.889 441 1HG GLU 56 HG2 GLU 56 3.660 1.668 5.454 442 2HG GLU 56 HG1 GLU 56 2.313 2.658 4.879 443 H VAL 57 HN VAL 57 3.627 0.232 3.124 444 HA VAL 57 HA VAL 57 5.373 -1.805 4.488 445 HB VAL 57 HB VAL 57 5.091 -1.376 1.498 446 1HG1 VAL 57 HG13 VAL 57 6.618 -3.354 3.202 447 2HG1 VAL 57 HG12 VAL 57 6.384 -3.536 1.466 448 3HG1 VAL 57 HG11 VAL 57 7.303 -2.165 2.093 449 1HG2 VAL 57 HG21 VAL 57 4.034 -3.546 3.335 450 2HG2 VAL 57 HG23 VAL 57 3.071 -2.392 2.412 451 3HG2 VAL 57 HG22 VAL 57 4.012 -3.626 1.572 452 H ASP 58 HN ASP 58 7.463 -1.180 4.811 453 HA ASP 58 HA ASP 58 8.305 1.539 3.919 454 1HB ASP 58 HB2 ASP 58 8.438 0.800 6.355 455 2HB ASP 58 HB1 ASP 58 9.697 -0.332 5.833 456 H VAL 59 HN VAL 59 9.619 1.613 2.121 457 HA VAL 59 HA VAL 59 10.762 -0.788 0.974 458 HB VAL 59 HB VAL 59 12.001 0.768 -0.483 459 1HG1 VAL 59 HG13 VAL 59 9.618 0.285 -0.947 460 2HG1 VAL 59 HG12 VAL 59 9.159 1.660 0.057 461 3HG1 VAL 59 HG11 VAL 59 10.049 1.922 -1.440 462 1HG2 VAL 59 HG21 VAL 59 11.014 2.816 1.508 463 2HG2 VAL 59 HG23 VAL 59 12.675 2.480 1.020 464 3HG2 VAL 59 HG22 VAL 59 11.566 3.250 -0.112 465 H ASP 60 HN ASP 60 11.722 1.377 3.482 466 HA ASP 60 HA ASP 60 14.570 0.581 3.303 467 1HB ASP 60 HB2 ASP 60 12.978 2.556 4.913 468 2HB ASP 60 HB1 ASP 60 14.610 2.134 5.397 469 H ASP 61 HN ASP 61 11.838 0.152 5.613 470 HA ASP 61 HA ASP 61 13.585 -1.653 7.236 471 1HB ASP 61 HB2 ASP 61 10.737 -0.721 7.755 472 2HB ASP 61 HB1 ASP 61 11.723 -1.681 8.847 473 H ALA 62 HN ALA 62 11.224 -1.717 4.790 474 HA ALA 62 HA ALA 62 10.878 -4.673 5.114 475 1HB ALA 62 HB2 ALA 62 8.822 -3.038 5.443 476 2HB ALA 62 HB1 ALA 62 8.841 -2.982 3.680 477 3HB ALA 62 HB3 ALA 62 8.629 -4.522 4.512 478 H GLN 63 HN GLN 63 12.994 -3.382 3.769 479 HA GLN 63 HA GLN 63 12.606 -2.955 0.995 480 1HB GLN 63 HB2 GLN 63 15.011 -3.243 0.790 481 2HB GLN 63 HB1 GLN 63 14.675 -2.389 2.297 482 1HG GLN 63 HG2 GLN 63 14.723 -4.654 3.458 483 2HG GLN 63 HG1 GLN 63 15.367 -5.315 1.953 484 1HE2 GLN 63 HE22 GLN 63 18.574 -4.508 3.260 485 2HE2 GLN 63 HE21 GLN 63 17.508 -5.757 2.823 486 H ASP 64 HN ASP 64 12.615 -5.885 2.826 487 HA ASP 64 HA ASP 64 13.408 -7.688 0.753 488 1HB ASP 64 HB2 ASP 64 12.119 -9.376 2.136 489 2HB ASP 64 HB1 ASP 64 13.333 -8.466 3.031 490 H VAL 65 HN VAL 65 10.298 -6.222 1.631 491 HA VAL 65 HA VAL 65 8.767 -7.782 -0.266 492 HB VAL 65 HB VAL 65 8.060 -5.031 0.790 493 1HG1 VAL 65 HG13 VAL 65 6.730 -6.178 -1.085 494 2HG1 VAL 65 HG12 VAL 65 6.233 -7.344 0.139 495 3HG1 VAL 65 HG11 VAL 65 5.814 -5.641 0.322 496 1HG2 VAL 65 HG22 VAL 65 7.956 -7.726 2.134 497 2HG2 VAL 65 HG21 VAL 65 8.473 -6.178 2.798 498 3HG2 VAL 65 HG23 VAL 65 6.760 -6.497 2.536 499 H ALA 66 HN ALA 66 10.262 -4.571 -0.248 500 HA ALA 66 HA ALA 66 9.350 -3.798 -2.856 501 1HB ALA 66 HB2 ALA 66 11.607 -2.854 -1.093 502 2HB ALA 66 HB1 ALA 66 11.324 -2.175 -2.690 503 3HB ALA 66 HB3 ALA 66 10.084 -2.041 -1.447 504 H SER 67 HN SER 67 12.353 -5.365 -1.735 505 HA SER 67 HA SER 67 13.710 -5.233 -4.231 506 1HB SER 67 HB2 SER 67 15.077 -7.071 -3.397 507 2HB SER 67 HB1 SER 67 14.750 -5.951 -2.081 508 HG SER 67 HG SER 67 13.079 -7.339 -1.406 509 H GLU 68 HN GLU 68 11.403 -7.640 -2.991 510 HA GLU 68 HA GLU 68 11.629 -9.418 -5.237 511 1HB GLU 68 HB2 GLU 68 10.629 -10.029 -3.028 512 2HB GLU 68 HB1 GLU 68 9.241 -9.012 -3.404 513 1HG GLU 68 HG2 GLU 68 10.141 -11.303 -5.174 514 2HG GLU 68 HG1 GLU 68 8.945 -11.492 -3.895 515 H ALA 69 HN ALA 69 9.541 -6.630 -4.550 516 HA ALA 69 HA ALA 69 8.106 -6.957 -7.089 517 1HB ALA 69 HB1 ALA 69 8.023 -4.880 -4.894 518 2HB ALA 69 HB3 ALA 69 7.078 -4.730 -6.377 519 3HB ALA 69 HB2 ALA 69 6.803 -6.092 -5.289 520 H GLU 70 HN GLU 70 11.123 -5.696 -6.297 521 HA GLU 70 HA GLU 70 12.573 -4.239 -7.433 522 1HB GLU 70 HB2 GLU 70 10.731 -4.875 -9.757 523 2HB GLU 70 HB1 GLU 70 12.314 -4.120 -9.887 524 1HG GLU 70 HG2 GLU 70 11.819 -6.856 -8.702 525 2HG GLU 70 HG1 GLU 70 12.372 -6.554 -10.347 526 H VAL 71 HN VAL 71 10.765 -2.798 -5.951 527 HA VAL 71 HA VAL 71 9.179 -0.989 -7.518 528 HB VAL 71 HB VAL 71 10.472 -0.469 -4.813 529 1HG1 VAL 71 HG13 VAL 71 8.102 0.743 -6.279 530 2HG1 VAL 71 HG12 VAL 71 8.483 1.062 -4.589 531 3HG1 VAL 71 HG11 VAL 71 9.609 1.554 -5.860 532 1HG2 VAL 71 HG22 VAL 71 9.059 -2.573 -4.953 533 2HG2 VAL 71 HG21 VAL 71 8.407 -1.356 -3.856 534 3HG2 VAL 71 HG23 VAL 71 7.705 -1.567 -5.458 535 H LYS 72 HN LYS 72 9.805 0.735 -8.709 536 HA LYS 72 HA LYS 72 12.681 1.467 -8.681 537 1HB LYS 72 HB2 LYS 72 10.534 1.985 -10.740 538 2HB LYS 72 HB1 LYS 72 12.228 2.435 -10.909 539 1HG LYS 72 HG2 LYS 72 11.346 -0.443 -10.438 540 2HG LYS 72 HG1 LYS 72 11.538 0.247 -12.050 541 1HD LYS 72 HD2 LYS 72 13.919 0.900 -11.307 542 2HD LYS 72 HD1 LYS 72 13.665 -0.191 -9.945 543 1HE LYS 72 HE2 LYS 72 13.443 -0.942 -12.874 544 2HE LYS 72 HE1 LYS 72 14.772 -1.373 -11.799 545 1HZ LYS 72 HZ2 LYS 72 13.091 -2.486 -10.367 546 2HZ LYS 72 HZ1 LYS 72 11.940 -2.223 -11.586 547 3HZ LYS 72 HZ3 LYS 72 13.285 -3.205 -11.893 548 H ALA 73 HN ALA 73 9.671 2.687 -7.603 549 HA ALA 73 HA ALA 73 10.962 5.201 -6.866 550 1HB ALA 73 HB1 ALA 73 9.005 5.070 -9.125 551 2HB ALA 73 HB3 ALA 73 8.942 6.470 -8.050 552 3HB ALA 73 HB2 ALA 73 10.426 6.101 -8.932 553 H THR 74 HN THR 74 9.668 6.471 -5.385 554 HA THR 74 HA THR 74 7.234 5.096 -4.312 555 HB THR 74 HB THR 74 7.975 5.552 -2.039 556 HG1 THR 74 HG1 THR 74 10.107 6.540 -1.831 557 1HG2 THR 74 HG21 THR 74 10.162 4.388 -3.734 558 2HG2 THR 74 HG23 THR 74 10.196 4.369 -1.977 559 3HG2 THR 74 HG22 THR 74 8.917 3.520 -2.849 560 HA PRO 75 HA PRO 75 5.846 5.707 -2.533 561 1HB PRO 75 HB2 PRO 75 3.246 6.643 -2.545 562 2HB PRO 75 HB1 PRO 75 4.473 7.120 -1.364 563 1HG PRO 75 HG2 PRO 75 3.365 8.671 -3.634 564 2HG PRO 75 HG1 PRO 75 4.110 9.250 -2.137 565 1HD PRO 75 HD2 PRO 75 5.344 9.157 -4.699 566 2HD PRO 75 HD1 PRO 75 6.163 9.476 -3.144 567 H THR 76 HN THR 76 4.887 3.833 -3.225 568 HA THR 76 HA THR 76 3.501 3.842 -5.883 569 HB THR 76 HB THR 76 5.412 1.719 -4.867 570 HG1 THR 76 HG1 THR 76 6.006 3.953 -5.929 571 1HG2 THR 76 HG23 THR 76 3.722 1.985 -7.357 572 2HG2 THR 76 HG22 THR 76 5.091 0.878 -7.250 573 3HG2 THR 76 HG21 THR 76 3.709 0.677 -6.177 574 H PHE 77 HN PHE 77 1.607 2.752 -5.859 575 HA PHE 77 HA PHE 77 0.872 1.265 -3.354 576 1HB PHE 77 HB2 PHE 77 -0.896 2.712 -5.357 577 2HB PHE 77 HB1 PHE 77 -1.458 1.874 -3.907 578 HD1 PHE 77 HD1 PHE 77 -0.835 2.733 -1.633 579 HD2 PHE 77 HD2 PHE 77 0.164 4.850 -5.238 580 HE1 PHE 77 HE1 PHE 77 -0.359 4.780 -0.307 581 HE2 PHE 77 HE2 PHE 77 0.639 6.895 -3.912 582 HZ PHE 77 HZ PHE 77 0.377 6.855 -1.443 583 H GLN 78 HN GLN 78 0.353 -0.868 -3.596 584 HA GLN 78 HA GLN 78 -0.120 -1.908 -6.380 585 1HB GLN 78 HB2 GLN 78 1.331 -3.203 -4.062 586 2HB GLN 78 HB1 GLN 78 0.837 -4.075 -5.511 587 1HG GLN 78 HG2 GLN 78 2.144 -2.366 -6.855 588 2HG GLN 78 HG1 GLN 78 2.790 -1.765 -5.324 589 1HE2 GLN 78 HE22 GLN 78 5.379 -4.157 -5.903 590 2HE2 GLN 78 HE21 GLN 78 4.985 -2.509 -5.971 591 H PHE 79 HN PHE 79 -1.819 -3.270 -6.615 592 HA PHE 79 HA PHE 79 -3.621 -3.565 -4.238 593 1HB PHE 79 HB2 PHE 79 -4.175 -3.501 -7.215 594 2HB PHE 79 HB1 PHE 79 -5.397 -3.852 -5.986 595 HD1 PHE 79 HD2 PHE 79 -2.979 -1.291 -7.177 596 HD2 PHE 79 HD1 PHE 79 -6.314 -2.132 -4.609 597 HE1 PHE 79 HE2 PHE 79 -3.214 1.124 -6.685 598 HE2 PHE 79 HE1 PHE 79 -6.549 0.281 -4.121 599 HZ PHE 79 HZ PHE 79 -5.002 1.914 -5.159 600 H PHE 80 HN PHE 80 -4.181 -5.523 -3.550 601 HA PHE 80 HA PHE 80 -3.484 -7.904 -5.202 602 1HB PHE 80 HB2 PHE 80 -2.987 -7.430 -2.265 603 2HB PHE 80 HB1 PHE 80 -2.974 -9.037 -2.986 604 HD1 PHE 80 HD2 PHE 80 -1.256 -5.751 -2.871 605 HD2 PHE 80 HD1 PHE 80 -1.202 -9.743 -4.470 606 HE1 PHE 80 HE2 PHE 80 1.091 -5.443 -3.585 607 HE2 PHE 80 HE1 PHE 80 1.150 -9.421 -5.187 608 HZ PHE 80 HZ PHE 80 2.297 -7.268 -4.745 609 H LYS 81 HN LYS 81 -4.963 -9.654 -5.029 610 HA LYS 81 HA LYS 81 -7.246 -9.365 -3.166 611 1HB LYS 81 HB2 LYS 81 -7.743 -8.120 -5.379 612 2HB LYS 81 HB1 LYS 81 -7.787 -9.722 -6.122 613 1HG LYS 81 HG2 LYS 81 -9.491 -10.393 -4.412 614 2HG LYS 81 HG1 LYS 81 -9.521 -8.726 -3.850 615 1HD LYS 81 HD2 LYS 81 -10.040 -8.059 -6.249 616 2HD LYS 81 HD1 LYS 81 -10.309 -9.772 -6.571 617 1HE LYS 81 HE2 LYS 81 -12.017 -9.836 -4.788 618 2HE LYS 81 HE1 LYS 81 -11.754 -8.118 -4.483 619 1HZ LYS 81 HZ2 LYS 81 -12.508 -9.184 -7.140 620 2HZ LYS 81 HZ1 LYS 81 -13.653 -8.665 -5.997 621 3HZ LYS 81 HZ3 LYS 81 -12.523 -7.567 -6.624 622 H LYS 82 HN LYS 82 -7.602 -11.392 -2.362 623 HA LYS 82 HA LYS 82 -7.520 -13.733 -2.175 624 1HB LYS 82 HB2 LYS 82 -7.687 -13.610 -5.218 625 2HB LYS 82 HB1 LYS 82 -7.841 -15.073 -4.264 626 1HG LYS 82 HG2 LYS 82 -9.746 -13.891 -3.031 627 2HG LYS 82 HG1 LYS 82 -9.696 -12.692 -4.319 628 1HD LYS 82 HD2 LYS 82 -9.952 -14.582 -5.979 629 2HD LYS 82 HD1 LYS 82 -10.225 -15.661 -4.608 630 1HE LYS 82 HE2 LYS 82 -12.146 -14.258 -3.906 631 2HE LYS 82 HE1 LYS 82 -11.884 -13.218 -5.304 632 1HZ LYS 82 HZ2 LYS 82 -11.973 -15.671 -6.411 633 2HZ LYS 82 HZ1 LYS 82 -13.105 -15.826 -5.152 634 3HZ LYS 82 HZ3 LYS 82 -13.292 -14.606 -6.316 635 H GLY 83 HN GLY 83 -5.087 -12.075 -2.407 636 1HA GLY 83 HA2 GLY 83 -2.787 -12.559 -2.275 637 2HA GLY 83 HA1 GLY 83 -3.157 -14.233 -2.693 638 H GLN 84 HN GLN 84 -4.527 -11.926 -4.827 639 HA GLN 84 HA GLN 84 -2.375 -12.493 -6.838 640 1HB GLN 84 HB2 GLN 84 -5.308 -11.942 -7.318 641 2HB GLN 84 HB1 GLN 84 -4.115 -12.332 -8.547 642 1HG GLN 84 HG2 GLN 84 -4.872 -14.166 -6.257 643 2HG GLN 84 HG1 GLN 84 -5.517 -14.290 -7.890 644 1HE2 GLN 84 HE21 GLN 84 -2.356 -14.228 -6.179 645 2HE2 GLN 84 HE22 GLN 84 -1.591 -15.315 -7.236 646 H LYS 85 HN LYS 85 -1.441 -10.786 -7.870 647 HA LYS 85 HA LYS 85 -2.091 -8.053 -7.006 648 1HB LYS 85 HB2 LYS 85 0.240 -8.827 -7.466 649 2HB LYS 85 HB1 LYS 85 -0.192 -9.014 -9.165 650 1HG LYS 85 HG2 LYS 85 -0.816 -6.604 -9.240 651 2HG LYS 85 HG1 LYS 85 -0.272 -6.438 -7.573 652 1HD LYS 85 HD2 LYS 85 1.985 -7.247 -8.277 653 2HD LYS 85 HD1 LYS 85 1.420 -7.262 -9.948 654 1HE LYS 85 HE2 LYS 85 1.339 -4.808 -8.176 655 2HE LYS 85 HE1 LYS 85 2.648 -5.156 -9.304 656 1HZ LYS 85 HZ3 LYS 85 0.294 -5.487 -10.712 657 2HZ LYS 85 HZ2 LYS 85 0.100 -4.050 -9.827 658 3HZ LYS 85 HZ1 LYS 85 1.421 -4.232 -10.879 659 H VAL 86 HN VAL 86 -3.625 -6.814 -8.003 660 HA VAL 86 HA VAL 86 -4.323 -7.458 -10.850 661 HB VAL 86 HB VAL 86 -6.644 -6.771 -10.286 662 1HG1 VAL 86 HG13 VAL 86 -5.717 -9.184 -10.123 663 2HG1 VAL 86 HG12 VAL 86 -5.754 -8.944 -8.377 664 3HG1 VAL 86 HG11 VAL 86 -7.246 -8.848 -9.313 665 1HG2 VAL 86 HG22 VAL 86 -6.045 -5.349 -8.329 666 2HG2 VAL 86 HG21 VAL 86 -7.278 -6.547 -7.926 667 3HG2 VAL 86 HG23 VAL 86 -5.602 -6.803 -7.435 668 H GLY 87 HN GLY 87 -2.745 -5.145 -9.154 669 1HA GLY 87 HA2 GLY 87 -3.070 -3.184 -11.209 670 2HA GLY 87 HA1 GLY 87 -4.109 -2.736 -9.864 671 H GLU 88 HN GLU 88 -1.870 -1.245 -10.831 672 HA GLU 88 HA GLU 88 -0.539 -0.728 -8.322 673 1HB GLU 88 HB2 GLU 88 0.923 -2.545 -8.907 674 2HB GLU 88 HB1 GLU 88 1.075 -1.967 -10.563 675 1HG GLU 88 HG2 GLU 88 2.312 -0.009 -9.822 676 2HG GLU 88 HG1 GLU 88 2.008 -0.404 -8.131 677 H PHE 89 HN PHE 89 0.522 1.276 -8.335 678 HA PHE 89 HA PHE 89 0.992 2.700 -10.812 679 1HB PHE 89 HB2 PHE 89 -0.710 4.328 -10.769 680 2HB PHE 89 HB1 PHE 89 -1.553 2.810 -10.483 681 HD1 PHE 89 HD1 PHE 89 -0.086 5.777 -8.772 682 HD2 PHE 89 HD2 PHE 89 -2.826 2.489 -8.509 683 HE1 PHE 89 HE1 PHE 89 -1.017 6.726 -6.676 684 HE2 PHE 89 HE2 PHE 89 -3.756 3.429 -6.407 685 HZ PHE 89 HZ PHE 89 -2.863 5.551 -5.494 686 H SER 90 HN SER 90 1.880 4.851 -10.431 687 HA SER 90 HA SER 90 2.932 5.215 -7.645 688 1HB SER 90 HB2 SER 90 5.049 5.963 -8.642 689 2HB SER 90 HB1 SER 90 4.687 4.302 -9.124 690 HG SER 90 HG SER 90 5.132 5.259 -11.009 691 H GLY 91 HN GLY 91 3.587 7.406 -7.176 692 1HA GLY 91 HA2 GLY 91 3.624 9.774 -8.052 693 2HA GLY 91 HA1 GLY 91 2.041 9.446 -8.746 694 H ALA 92 HN ALA 92 3.038 11.341 -6.533 695 HA ALA 92 HA ALA 92 1.725 10.368 -4.125 696 1HB ALA 92 HB1 ALA 92 2.682 13.117 -4.971 697 2HB ALA 92 HB3 ALA 92 2.023 12.763 -3.377 698 3HB ALA 92 HB2 ALA 92 3.520 11.991 -3.904 699 H ASN 93 HN ASN 93 -0.276 9.843 -5.588 700 HA ASN 93 HA ASN 93 -2.139 12.195 -5.579 701 1HB ASN 93 HB2 ASN 93 -1.575 11.281 -7.875 702 2HB ASN 93 HB1 ASN 93 -2.349 9.774 -7.388 703 1HD2 ASN 93 HD22 ASN 93 -5.199 12.537 -6.896 704 2HD2 ASN 93 HD21 ASN 93 -3.918 12.312 -5.808 705 H LYS 94 HN LYS 94 -2.970 11.789 -3.497 706 HA LYS 94 HA LYS 94 -3.684 9.172 -2.527 707 1HB LYS 94 HB2 LYS 94 -5.010 10.503 -0.847 708 2HB LYS 94 HB1 LYS 94 -3.302 10.906 -0.939 709 1HG LYS 94 HG2 LYS 94 -4.896 12.517 -2.824 710 2HG LYS 94 HG1 LYS 94 -5.474 12.710 -1.175 711 1HD LYS 94 HD2 LYS 94 -3.088 13.163 -0.478 712 2HD LYS 94 HD1 LYS 94 -2.654 13.158 -2.190 713 1HE LYS 94 HE2 LYS 94 -4.164 15.006 -2.623 714 2HE LYS 94 HE1 LYS 94 -4.760 14.948 -0.962 715 1HZ LYS 94 HZ2 LYS 94 -2.006 15.126 -0.799 716 2HZ LYS 94 HZ1 LYS 94 -2.466 16.258 -1.979 717 3HZ LYS 94 HZ3 LYS 94 -3.137 16.337 -0.424 718 H GLU 95 HN GLU 95 -5.534 11.649 -4.263 719 HA GLU 95 HA GLU 95 -8.112 10.498 -3.876 720 1HB GLU 95 HB2 GLU 95 -7.042 12.093 -6.219 721 2HB GLU 95 HB1 GLU 95 -8.747 11.821 -5.861 722 1HG GLU 95 HG2 GLU 95 -6.787 13.200 -4.003 723 2HG GLU 95 HG1 GLU 95 -7.955 14.031 -5.030 724 H LYS 96 HN LYS 96 -5.483 9.705 -6.030 725 HA LYS 96 HA LYS 96 -6.907 8.158 -7.950 726 1HB LYS 96 HB2 LYS 96 -4.461 8.923 -7.983 727 2HB LYS 96 HB1 LYS 96 -4.120 7.557 -6.937 728 1HG LYS 96 HG2 LYS 96 -4.743 5.973 -8.585 729 2HG LYS 96 HG1 LYS 96 -5.564 7.193 -9.567 730 1HD LYS 96 HD2 LYS 96 -3.434 8.269 -10.083 731 2HD LYS 96 HD1 LYS 96 -2.576 7.149 -9.028 732 1HE LYS 96 HE2 LYS 96 -3.134 5.274 -10.457 733 2HE LYS 96 HE1 LYS 96 -4.219 6.270 -11.426 734 1HZ LYS 96 HZ2 LYS 96 -1.294 6.717 -11.160 735 2HZ LYS 96 HZ1 LYS 96 -2.035 5.926 -12.467 736 3HZ LYS 96 HZ3 LYS 96 -2.358 7.565 -12.175 737 H LEU 97 HN LEU 97 -5.664 7.406 -4.743 738 HA LEU 97 HA LEU 97 -5.972 4.580 -4.784 739 1HB LEU 97 HB2 LEU 97 -6.264 6.636 -2.580 740 2HB LEU 97 HB1 LEU 97 -6.412 4.917 -2.268 741 HG LEU 97 HG LEU 97 -3.993 6.155 -3.595 742 1HD1 LEU 97 HD11 LEU 97 -4.578 5.603 -0.676 743 2HD1 LEU 97 HD13 LEU 97 -2.947 5.829 -1.301 744 3HD1 LEU 97 HD12 LEU 97 -4.121 7.139 -1.410 745 1HD2 LEU 97 HD22 LEU 97 -4.700 3.424 -2.499 746 2HD2 LEU 97 HD21 LEU 97 -3.945 3.835 -4.038 747 3HD2 LEU 97 HD23 LEU 97 -3.023 3.943 -2.547 748 H GLU 98 HN GLU 98 -8.195 7.216 -4.156 749 HA GLU 98 HA GLU 98 -10.409 5.625 -3.280 750 1HB GLU 98 HB2 GLU 98 -10.291 8.089 -2.995 751 2HB GLU 98 HB1 GLU 98 -10.493 8.287 -4.736 752 1HG GLU 98 HG2 GLU 98 -12.678 7.089 -4.592 753 2HG GLU 98 HG1 GLU 98 -12.480 6.989 -2.844 754 H ALA 99 HN ALA 99 -9.516 6.754 -6.546 755 HA ALA 99 HA ALA 99 -11.863 5.651 -7.781 756 1HB ALA 99 HB1 ALA 99 -10.297 7.403 -8.764 757 2HB ALA 99 HB3 ALA 99 -9.200 6.077 -9.149 758 3HB ALA 99 HB2 ALA 99 -10.808 6.129 -9.871 759 H THR 100 HN THR 100 -8.568 4.337 -7.405 760 HA THR 100 HA THR 100 -9.079 1.959 -8.910 761 HB THR 100 HB THR 100 -7.133 2.250 -6.615 762 HG1 THR 100 HG1 THR 100 -6.538 3.855 -7.897 763 1HG2 THR 100 HG21 THR 100 -7.231 0.525 -9.101 764 2HG2 THR 100 HG23 THR 100 -5.863 0.605 -7.995 765 3HG2 THR 100 HG22 THR 100 -7.413 -0.025 -7.436 766 H ILE 101 HN ILE 101 -9.450 2.669 -5.445 767 HA ILE 101 HA ILE 101 -10.075 -0.005 -4.593 768 HB ILE 101 HB ILE 101 -10.910 2.720 -3.531 769 1HG1 ILE 101 HG12 ILE 101 -8.981 0.735 -2.303 770 2HG1 ILE 101 HG11 ILE 101 -8.443 1.881 -3.526 771 1HG2 ILE 101 HG22 ILE 101 -11.400 -0.068 -2.450 772 2HG2 ILE 101 HG21 ILE 101 -11.394 1.356 -1.409 773 3HG2 ILE 101 HG23 ILE 101 -12.575 1.222 -2.711 774 1HD1 ILE 101 HD12 ILE 101 -9.803 2.611 -0.917 775 2HD1 ILE 101 HD11 ILE 101 -8.080 2.779 -1.258 776 3HD1 ILE 101 HD13 ILE 101 -9.254 3.755 -2.140 777 H ASN 102 HN ASN 102 -12.147 2.715 -5.591 778 HA ASN 102 HA ASN 102 -14.629 1.328 -5.448 779 1HB ASN 102 HB2 ASN 102 -14.417 3.798 -5.729 780 2HB ASN 102 HB1 ASN 102 -13.814 3.542 -7.369 781 1HD2 ASN 102 HD22 ASN 102 -17.742 3.735 -6.853 782 2HD2 ASN 102 HD21 ASN 102 -16.594 4.352 -5.768 783 H GLU 103 HN GLU 103 -12.128 1.523 -7.899 784 HA GLU 103 HA GLU 103 -13.593 0.276 -10.018 785 1HB GLU 103 HB2 GLU 103 -11.426 1.596 -10.207 786 2HB GLU 103 HB1 GLU 103 -10.603 0.166 -9.582 787 1HG GLU 103 HG2 GLU 103 -11.584 -1.192 -11.427 788 2HG GLU 103 HG1 GLU 103 -12.305 0.277 -12.086 789 H LEU 104 HN LEU 104 -11.463 -1.051 -7.480 790 HA LEU 104 HA LEU 104 -12.006 -3.807 -8.478 791 1HB LEU 104 HB2 LEU 104 -10.080 -2.806 -6.374 792 2HB LEU 104 HB1 LEU 104 -10.196 -4.473 -6.936 793 HG LEU 104 HG LEU 104 -9.541 -2.089 -8.700 794 1HD1 LEU 104 HD11 LEU 104 -7.817 -4.124 -7.285 795 2HD1 LEU 104 HD13 LEU 104 -7.257 -3.300 -8.741 796 3HD1 LEU 104 HD12 LEU 104 -7.659 -2.365 -7.300 797 1HD2 LEU 104 HD23 LEU 104 -9.839 -5.056 -9.177 798 2HD2 LEU 104 HD22 LEU 104 -10.430 -3.712 -10.152 799 3HD2 LEU 104 HD21 LEU 104 -8.718 -4.122 -10.169 800 H VAL 105 HN VAL 105 -13.463 -1.729 -6.313 801 HA VAL 105 HA VAL 105 -13.772 -3.451 -4.026 802 HB VAL 105 HB VAL 105 -14.348 -0.961 -4.110 803 1HG1 VAL 105 HG12 VAL 105 -15.801 -1.383 -6.250 804 2HG1 VAL 105 HG11 VAL 105 -17.055 -1.837 -5.102 805 3HG1 VAL 105 HG13 VAL 105 -16.359 -0.217 -5.056 806 1HG2 VAL 105 HG23 VAL 105 -14.993 -2.545 -2.260 807 2HG2 VAL 105 HG22 VAL 105 -16.106 -1.189 -2.455 808 3HG2 VAL 105 HG21 VAL 105 -16.538 -2.780 -3.078 809 HA PRO 59 HA PRO 106 13.651 14.026 -14.650 810 1HB PRO 59 HB2 PRO 106 15.777 12.578 -13.774 811 2HB PRO 59 HB1 PRO 106 15.763 13.363 -15.368 812 1HG PRO 59 HG2 PRO 106 17.025 14.291 -12.821 813 2HG PRO 59 HG1 PRO 106 17.689 14.292 -14.464 814 1HD PRO 59 HD2 PRO 106 16.613 16.533 -13.316 815 2HD PRO 59 HD1 PRO 106 16.560 16.232 -15.070 816 H ALA 60 HN ALA 107 14.668 15.571 -11.747 817 HA ALA 60 HA ALA 107 13.666 13.360 -10.022 818 1HB ALA 60 HB3 ALA 107 15.828 14.506 -9.462 819 2HB ALA 60 HB2 ALA 107 14.925 16.001 -9.222 820 3HB ALA 60 HB1 ALA 107 14.629 14.615 -8.173 821 H THR 61 HN THR 108 11.571 13.410 -9.420 822 HA THR 61 HA THR 108 10.089 16.018 -9.509 823 HB THR 61 HB THR 108 8.961 13.203 -9.476 824 HG1 THR 61 HG1 THR 108 8.640 13.772 -11.774 825 1HG2 THR 61 HG21 THR 108 7.525 15.192 -8.776 826 2HG2 THR 61 HG23 THR 108 7.708 15.782 -10.426 827 3HG2 THR 61 HG22 THR 108 6.906 14.241 -10.126 828 H LEU 62 HN LEU 109 9.313 16.848 -7.612 829 HA LEU 62 HA LEU 109 10.079 15.734 -5.084 830 1HB LEU 62 HB2 LEU 109 8.053 17.860 -5.824 831 2HB LEU 62 HB1 LEU 109 8.464 17.469 -4.163 832 HG LEU 62 HG LEU 109 10.572 18.212 -6.199 833 1HD1 LEU 62 HD13 LEU 109 8.838 19.992 -4.481 834 2HD1 LEU 62 HD12 LEU 109 10.445 20.501 -4.998 835 3HD1 LEU 62 HD11 LEU 109 9.208 20.140 -6.199 836 1HD2 LEU 62 HD21 LEU 109 10.463 17.966 -3.184 837 2HD2 LEU 62 HD23 LEU 109 11.624 17.264 -4.307 838 3HD2 LEU 62 HD22 LEU 109 11.672 18.987 -3.953 839 H LYS 63 HN LYS 110 7.186 15.468 -7.033 840 HA LYS 63 HA LYS 110 5.441 14.350 -5.056 841 1HB LYS 63 HB2 LYS 110 5.478 13.903 -8.062 842 2HB LYS 63 HB1 LYS 110 4.126 13.543 -6.996 843 1HG LYS 63 HG2 LYS 110 5.301 16.290 -7.536 844 2HG LYS 63 HG1 LYS 110 3.743 15.694 -8.097 845 1HD LYS 63 HD2 LYS 110 3.291 15.306 -5.521 846 2HD LYS 63 HD1 LYS 110 4.584 16.486 -5.320 847 1HE LYS 63 HE2 LYS 110 2.531 17.723 -5.334 848 2HE LYS 63 HE1 LYS 110 3.292 18.006 -6.899 849 1HZ LYS 63 HZ1 LYS 110 1.404 15.775 -6.597 850 2HZ LYS 63 HZ3 LYS 110 0.801 17.349 -6.762 851 3HZ LYS 63 HZ2 LYS 110 1.781 16.686 -7.978 852 H ILE 64 HN ILE 111 8.178 13.113 -6.665 853 HA ILE 64 HA ILE 111 7.587 10.328 -5.695 854 HB ILE 64 HB ILE 111 9.058 11.226 -8.197 855 1HG1 ILE 64 HG12 ILE 111 6.634 11.182 -8.459 856 2HG1 ILE 64 HG11 ILE 111 7.355 9.856 -9.360 857 1HG2 ILE 64 HG22 ILE 111 8.877 8.515 -6.877 858 2HG2 ILE 64 HG21 ILE 111 9.260 8.710 -8.589 859 3HG2 ILE 64 HG23 ILE 111 10.329 9.396 -7.365 860 1HD1 ILE 64 HD13 ILE 111 6.903 8.561 -7.033 861 2HD1 ILE 64 HD12 ILE 111 5.641 9.783 -6.921 862 3HD1 ILE 64 HD11 ILE 111 5.680 8.684 -8.296 863 H CYS 65 HN CYS 112 9.296 9.365 -4.513 864 HA CYS 65 HA CYS 112 11.657 11.104 -3.976 865 1HB CYS 65 HB2 CYS 112 11.123 8.487 -2.558 866 2HB CYS 65 HB1 CYS 112 12.046 9.869 -1.998 867 H SER 66 HN SER 113 13.585 10.566 -4.960 868 HA SER 66 HA SER 113 13.629 8.292 -6.793 869 1HB SER 66 HB2 SER 113 15.824 10.224 -5.976 870 2HB SER 66 HB1 SER 113 15.906 9.092 -7.325 871 HG SER 66 HG SER 113 14.848 11.528 -7.267 872 H TRP 67 HN TRP 114 14.868 6.390 -6.599 873 HA TRP 67 HA TRP 114 15.573 5.581 -3.872 874 1HB TRP 67 HB2 TRP 114 15.764 4.162 -6.547 875 2HB TRP 67 HB1 TRP 114 16.263 3.430 -5.021 876 HD1 TRP 67 HD1 TRP 114 13.168 5.433 -6.176 877 HE1 TRP 67 HE1 TRP 114 11.071 4.261 -5.278 878 HE3 TRP 67 HE3 TRP 114 15.298 1.472 -3.756 879 HZ2 TRP 67 HZ2 TRP 114 10.397 1.997 -3.733 880 HZ3 TRP 67 HZ3 TRP 114 13.887 -0.181 -2.574 881 HH2 TRP 67 HH2 TRP 114 11.423 0.083 -2.577 882 H ASN 68 HN ASN 115 17.177 7.097 -6.484 883 HA ASN 68 HA ASN 115 19.824 6.088 -6.211 884 1HB ASN 68 HB2 ASN 115 18.822 8.875 -6.900 885 2HB ASN 68 HB1 ASN 115 20.520 8.399 -7.001 886 1HD2 ASN 68 HD22 ASN 115 18.539 5.858 -9.413 887 2HD2 ASN 68 HD21 ASN 115 18.449 5.769 -7.723 888 H VAL 69 HN VAL 116 17.829 7.692 -4.023 889 HA VAL 69 HA VAL 116 19.722 9.227 -2.523 890 HB VAL 69 HB VAL 116 17.306 9.505 -2.226 891 1HG1 VAL 69 HG13 VAL 116 16.841 7.014 -2.593 892 2HG1 VAL 69 HG12 VAL 116 17.269 6.779 -0.901 893 3HG1 VAL 69 HG11 VAL 116 15.893 7.795 -1.332 894 1HG2 VAL 69 HG22 VAL 116 19.010 9.813 -0.290 895 2HG2 VAL 69 HG21 VAL 116 17.301 9.734 0.123 896 3HG2 VAL 69 HG23 VAL 116 18.329 8.323 0.361 897 H ASP 70 HN ASP 117 21.178 8.601 -0.948 898 HA ASP 70 HA ASP 117 22.059 5.895 -0.814 899 1HB ASP 70 HB2 ASP 117 22.508 8.234 1.064 900 2HB ASP 70 HB1 ASP 117 23.293 6.669 1.270 901 H GLY 71 HN GLY 118 19.852 7.767 1.228 902 1HA GLY 71 HA2 GLY 118 18.124 6.960 2.619 903 2HA GLY 71 HA1 GLY 118 18.567 5.319 2.149 No H/Q in entry = 903 Start of MODEL 5 1 1H MET 1 HT3 MET 1 -9.031 -0.874 9.437 2 2H MET 1 HT2 MET 1 -9.345 -2.199 10.453 3 3H MET 1 HT1 MET 1 -9.784 -0.630 10.936 4 HA MET 1 HA MET 1 -7.661 -0.022 11.469 5 1HB MET 1 HB2 MET 1 -7.733 -3.039 11.800 6 2HB MET 1 HB1 MET 1 -6.594 -1.968 12.614 7 1HG MET 1 HG2 MET 1 -9.611 -1.779 12.855 8 2HG MET 1 HG1 MET 1 -8.560 -2.543 14.046 9 1HE MET 1 HE3 MET 1 -6.666 -1.600 15.027 10 2HE MET 1 HE2 MET 1 -5.921 -0.292 14.113 11 3HE MET 1 HE1 MET 1 -6.593 0.031 15.708 12 H VAL 2 HN VAL 2 -5.392 -0.048 11.009 13 HA VAL 2 HA VAL 2 -4.758 -1.095 8.287 14 HB VAL 2 HB VAL 2 -3.450 0.999 10.051 15 1HG1 VAL 2 HG13 VAL 2 -2.597 -0.164 7.384 16 2HG1 VAL 2 HG12 VAL 2 -2.023 1.393 7.981 17 3HG1 VAL 2 HG11 VAL 2 -1.648 -0.083 8.869 18 1HG2 VAL 2 HG22 VAL 2 -5.614 1.463 8.768 19 2HG2 VAL 2 HG21 VAL 2 -4.261 2.536 8.406 20 3HG2 VAL 2 HG23 VAL 2 -4.668 1.228 7.298 21 H LYS 3 HN LYS 3 -2.614 -2.114 7.967 22 HA LYS 3 HA LYS 3 -1.531 -3.454 10.425 23 1HB LYS 3 HB2 LYS 3 -3.015 -4.953 9.039 24 2HB LYS 3 HB1 LYS 3 -1.911 -4.715 7.690 25 1HG LYS 3 HG2 LYS 3 -1.095 -6.709 8.603 26 2HG LYS 3 HG1 LYS 3 -0.072 -5.520 9.404 27 1HD LYS 3 HD2 LYS 3 -1.505 -5.563 11.382 28 2HD LYS 3 HD1 LYS 3 -2.627 -6.657 10.576 29 1HE LYS 3 HE2 LYS 3 0.274 -7.278 11.214 30 2HE LYS 3 HE1 LYS 3 -1.121 -7.878 12.109 31 1HZ LYS 3 HZ3 LYS 3 -1.743 -8.526 9.573 32 2HZ LYS 3 HZ2 LYS 3 -0.056 -8.734 9.571 33 3HZ LYS 3 HZ1 LYS 3 -1.018 -9.579 10.688 34 H GLN 4 HN GLN 4 0.650 -3.231 10.579 35 HA GLN 4 HA GLN 4 2.120 -2.059 8.266 36 1HB GLN 4 HB2 GLN 4 2.295 -0.962 10.493 37 2HB GLN 4 HB1 GLN 4 2.974 -2.449 11.154 38 1HG GLN 4 HG2 GLN 4 4.850 -2.286 9.513 39 2HG GLN 4 HG1 GLN 4 4.191 -0.745 8.956 40 1HE2 GLN 4 HE22 GLN 4 6.649 0.235 11.506 41 2HE2 GLN 4 HE21 GLN 4 6.640 -0.340 9.909 42 H ILE 5 HN ILE 5 3.330 -3.377 7.034 43 HA ILE 5 HA ILE 5 4.033 -6.105 8.041 44 HB ILE 5 HB ILE 5 4.229 -4.991 5.242 45 1HG1 ILE 5 HG12 ILE 5 1.896 -4.857 5.914 46 2HG1 ILE 5 HG11 ILE 5 2.087 -6.236 4.832 47 1HG2 ILE 5 HG22 ILE 5 4.365 -7.753 6.442 48 2HG2 ILE 5 HG21 ILE 5 4.063 -7.472 4.736 49 3HG2 ILE 5 HG23 ILE 5 5.572 -6.930 5.452 50 1HD1 ILE 5 HD11 ILE 5 2.403 -7.636 6.994 51 2HD1 ILE 5 HD13 ILE 5 1.721 -6.242 7.829 52 3HD1 ILE 5 HD12 ILE 5 0.776 -7.085 6.606 53 H GLU 6 HN GLU 6 6.078 -6.186 8.888 54 HA GLU 6 HA GLU 6 8.129 -4.259 7.897 55 1HB GLU 6 HB2 GLU 6 8.159 -6.121 10.291 56 2HB GLU 6 HB1 GLU 6 9.393 -4.923 9.900 57 1HG GLU 6 HG2 GLU 6 6.489 -4.180 10.298 58 2HG GLU 6 HG1 GLU 6 7.654 -4.192 11.622 59 H SER 7 HN SER 7 7.098 -7.312 7.139 60 HA SER 7 HA SER 7 9.723 -7.976 5.940 61 1HB SER 7 HB2 SER 7 9.711 -10.263 6.870 62 2HB SER 7 HB1 SER 7 9.822 -9.054 8.150 63 HG SER 7 HG SER 7 7.297 -9.912 7.301 64 H LYS 8 HN LYS 8 9.571 -9.572 4.298 65 HA LYS 8 HA LYS 8 7.154 -9.581 2.725 66 1HB LYS 8 HB2 LYS 8 9.556 -9.893 1.898 67 2HB LYS 8 HB1 LYS 8 9.471 -11.514 2.582 68 1HG LYS 8 HG2 LYS 8 7.726 -12.164 1.077 69 2HG LYS 8 HG1 LYS 8 7.491 -10.501 0.534 70 1HD LYS 8 HD2 LYS 8 8.825 -11.943 -1.065 71 2HD LYS 8 HD1 LYS 8 9.645 -10.470 -0.556 72 1HE LYS 8 HE2 LYS 8 10.073 -13.092 0.884 73 2HE LYS 8 HE1 LYS 8 11.021 -12.650 -0.531 74 1HZ LYS 8 HZ3 LYS 8 11.089 -10.421 1.022 75 2HZ LYS 8 HZ2 LYS 8 11.199 -11.682 2.154 76 3HZ LYS 8 HZ1 LYS 8 12.325 -11.573 0.888 77 H THR 9 HN THR 9 8.596 -11.714 5.104 78 HA THR 9 HA THR 9 7.004 -14.020 4.662 79 HB THR 9 HB THR 9 7.974 -12.961 7.332 80 HG1 THR 9 HG1 THR 9 9.590 -13.150 5.665 81 1HG2 THR 9 HG23 THR 9 7.350 -15.765 6.359 82 2HG2 THR 9 HG22 THR 9 8.020 -15.360 7.940 83 3HG2 THR 9 HG21 THR 9 6.391 -14.835 7.513 84 H ALA 10 HN ALA 10 6.446 -11.193 6.747 85 HA ALA 10 HA ALA 10 3.816 -12.058 7.574 86 1HB ALA 10 HB3 ALA 10 5.363 -9.482 7.719 87 2HB ALA 10 HB2 ALA 10 3.632 -9.461 8.067 88 3HB ALA 10 HB1 ALA 10 4.715 -10.462 9.033 89 H PHE 11 HN PHE 11 5.078 -10.213 4.863 90 HA PHE 11 HA PHE 11 2.642 -9.055 3.946 91 1HB PHE 11 HB2 PHE 11 4.993 -8.636 3.036 92 2HB PHE 11 HB1 PHE 11 4.864 -10.172 2.199 93 HD1 PHE 11 HD1 PHE 11 2.847 -7.040 2.708 94 HD2 PHE 11 HD2 PHE 11 4.075 -10.144 -0.002 95 HE1 PHE 11 HE1 PHE 11 1.595 -5.944 0.873 96 HE2 PHE 11 HE2 PHE 11 2.823 -9.041 -1.831 97 HZ PHE 11 HZ PHE 11 1.583 -6.949 -1.395 98 H GLN 12 HN GLN 12 4.120 -12.219 3.283 99 HA GLN 12 HA GLN 12 2.094 -13.121 1.458 100 1HB GLN 12 HB2 GLN 12 3.896 -14.677 3.357 101 2HB GLN 12 HB1 GLN 12 2.973 -15.391 2.037 102 1HG GLN 12 HG2 GLN 12 5.077 -13.233 1.698 103 2HG GLN 12 HG1 GLN 12 5.347 -14.952 1.411 104 1HE2 GLN 12 HE22 GLN 12 3.798 -12.778 -1.546 105 2HE2 GLN 12 HE21 GLN 12 4.593 -12.120 -0.197 106 H GLU 13 HN GLU 13 2.482 -13.479 4.981 107 HA GLU 13 HA GLU 13 0.122 -15.033 5.453 108 1HB GLU 13 HB2 GLU 13 1.870 -13.257 7.142 109 2HB GLU 13 HB1 GLU 13 0.400 -13.932 7.824 110 1HG GLU 13 HG2 GLU 13 2.318 -15.392 8.305 111 2HG GLU 13 HG1 GLU 13 1.183 -16.209 7.232 112 H ALA 14 HN ALA 14 0.654 -11.521 5.427 113 HA ALA 14 HA ALA 14 -1.963 -10.812 6.337 114 1HB ALA 14 HB3 ALA 14 0.119 -9.320 6.131 115 2HB ALA 14 HB2 ALA 14 -0.299 -9.166 4.424 116 3HB ALA 14 HB1 ALA 14 -1.419 -8.595 5.662 117 H LEU 15 HN LEU 15 -0.626 -11.310 3.078 118 HA LEU 15 HA LEU 15 -2.957 -10.551 1.642 119 1HB LEU 15 HB2 LEU 15 -0.784 -12.558 1.018 120 2HB LEU 15 HB1 LEU 15 -2.045 -12.117 -0.128 121 HG LEU 15 HG LEU 15 -0.174 -10.137 1.183 122 1HD1 LEU 15 HD12 LEU 15 -0.013 -11.645 -1.427 123 2HD1 LEU 15 HD11 LEU 15 0.750 -10.068 -1.250 124 3HD1 LEU 15 HD13 LEU 15 1.243 -11.402 -0.210 125 1HD2 LEU 15 HD23 LEU 15 -2.400 -9.931 -0.831 126 2HD2 LEU 15 HD22 LEU 15 -1.978 -8.836 0.484 127 3HD2 LEU 15 HD21 LEU 15 -1.021 -8.843 -0.991 128 H ASP 16 HN ASP 16 -1.952 -13.594 3.110 129 HA ASP 16 HA ASP 16 -4.186 -15.115 2.142 130 1HB ASP 16 HB2 ASP 16 -1.982 -16.020 3.065 131 2HB ASP 16 HB1 ASP 16 -2.637 -15.690 4.673 132 H ALA 17 HN ALA 17 -3.653 -13.165 5.045 133 HA ALA 17 HA ALA 17 -5.991 -14.064 6.456 134 1HB ALA 17 HB3 ALA 17 -4.348 -11.534 6.647 135 2HB ALA 17 HB2 ALA 17 -5.674 -11.910 7.749 136 3HB ALA 17 HB1 ALA 17 -4.253 -12.955 7.686 137 H ALA 18 HN ALA 18 -5.447 -11.410 4.173 138 HA ALA 18 HA ALA 18 -7.942 -10.083 4.508 139 1HB ALA 18 HB3 ALA 18 -6.119 -10.377 2.117 140 2HB ALA 18 HB2 ALA 18 -7.546 -9.340 2.110 141 3HB ALA 18 HB1 ALA 18 -6.221 -9.011 3.229 142 H GLY 19 HN GLY 19 -7.081 -12.982 2.715 143 1HA GLY 19 HA2 GLY 19 -8.461 -14.606 1.730 144 2HA GLY 19 HA1 GLY 19 -9.817 -13.851 2.567 145 H ASP 20 HN ASP 20 -11.342 -13.288 1.122 146 HA ASP 20 HA ASP 20 -10.604 -12.606 -1.657 147 1HB ASP 20 HB2 ASP 20 -13.296 -12.889 -0.292 148 2HB ASP 20 HB1 ASP 20 -13.050 -12.648 -2.024 149 H LYS 21 HN LYS 21 -10.699 -10.901 1.126 150 HA LYS 21 HA LYS 21 -12.272 -8.589 0.330 151 1HB LYS 21 HB2 LYS 21 -10.140 -8.992 2.448 152 2HB LYS 21 HB1 LYS 21 -11.071 -7.507 2.261 153 1HG LYS 21 HG2 LYS 21 -13.160 -9.041 2.436 154 2HG LYS 21 HG1 LYS 21 -12.041 -10.244 3.082 155 1HD LYS 21 HD2 LYS 21 -11.340 -8.687 4.840 156 2HD LYS 21 HD1 LYS 21 -12.404 -7.441 4.181 157 1HE LYS 21 HE2 LYS 21 -13.540 -8.491 6.033 158 2HE LYS 21 HE1 LYS 21 -14.336 -9.000 4.545 159 1HZ LYS 21 HZ3 LYS 21 -12.145 -10.687 5.335 160 2HZ LYS 21 HZ2 LYS 21 -13.419 -10.662 6.459 161 3HZ LYS 21 HZ1 LYS 21 -13.714 -11.106 4.846 162 H LEU 22 HN LEU 22 -11.452 -6.550 -0.459 163 HA LEU 22 HA LEU 22 -9.238 -6.692 -2.248 164 1HB LEU 22 HB2 LEU 22 -11.298 -4.907 -1.797 165 2HB LEU 22 HB1 LEU 22 -9.930 -4.008 -1.168 166 HG LEU 22 HG LEU 22 -10.218 -5.135 -3.957 167 1HD1 LEU 22 HD13 LEU 22 -10.673 -2.473 -2.721 168 2HD1 LEU 22 HD12 LEU 22 -9.678 -2.429 -4.173 169 3HD1 LEU 22 HD11 LEU 22 -11.286 -3.139 -4.232 170 1HD2 LEU 22 HD21 LEU 22 -7.862 -3.918 -2.516 171 2HD2 LEU 22 HD23 LEU 22 -7.899 -5.355 -3.541 172 3HD2 LEU 22 HD22 LEU 22 -8.015 -3.755 -4.260 173 H VAL 23 HN VAL 23 -7.121 -5.533 -1.979 174 HA VAL 23 HA VAL 23 -6.330 -4.906 0.795 175 HB VAL 23 HB VAL 23 -4.825 -6.909 -0.913 176 1HG1 VAL 23 HG13 VAL 23 -4.380 -5.708 1.823 177 2HG1 VAL 23 HG12 VAL 23 -3.621 -7.224 1.336 178 3HG1 VAL 23 HG11 VAL 23 -3.275 -5.738 0.449 179 1HG2 VAL 23 HG23 VAL 23 -6.568 -7.296 1.532 180 2HG2 VAL 23 HG22 VAL 23 -6.840 -7.961 -0.077 181 3HG2 VAL 23 HG21 VAL 23 -5.477 -8.519 0.888 182 H VAL 24 HN VAL 24 -5.351 -2.938 0.593 183 HA VAL 24 HA VAL 24 -3.883 -2.333 -1.949 184 HB VAL 24 HB VAL 24 -4.824 -0.386 0.183 185 1HG1 VAL 24 HG11 VAL 24 -2.947 0.228 -1.467 186 2HG1 VAL 24 HG13 VAL 24 -4.175 0.126 -2.729 187 3HG1 VAL 24 HG12 VAL 24 -4.342 1.306 -1.429 188 1HG2 VAL 24 HG21 VAL 24 -6.185 -1.471 -2.288 189 2HG2 VAL 24 HG23 VAL 24 -6.826 -1.330 -0.652 190 3HG2 VAL 24 HG22 VAL 24 -6.596 0.115 -1.635 191 H VAL 25 HN VAL 25 -1.663 -1.818 -1.812 192 HA VAL 25 HA VAL 25 -0.444 -1.892 0.941 193 HB VAL 25 HB VAL 25 0.798 -2.916 -1.629 194 1HG1 VAL 25 HG13 VAL 25 2.308 -2.160 0.267 195 2HG1 VAL 25 HG12 VAL 25 1.571 -3.423 1.252 196 3HG1 VAL 25 HG11 VAL 25 2.483 -3.851 -0.192 197 1HG2 VAL 25 HG21 VAL 25 -1.234 -4.216 -0.867 198 2HG2 VAL 25 HG23 VAL 25 0.264 -5.139 -0.871 199 3HG2 VAL 25 HG22 VAL 25 -0.385 -4.526 0.647 200 H ASP 26 HN ASP 26 0.569 -0.042 1.445 201 HA ASP 26 HA ASP 26 1.353 1.842 -0.740 202 1HB ASP 26 HB2 ASP 26 -0.042 2.644 1.190 203 2HB ASP 26 HB1 ASP 26 1.315 2.302 2.262 204 H PHE 27 HN PHE 27 3.462 1.786 -1.367 205 HA PHE 27 HA PHE 27 5.524 0.662 0.473 206 1HB PHE 27 HB2 PHE 27 5.475 1.238 -2.497 207 2HB PHE 27 HB1 PHE 27 6.980 0.885 -1.644 208 HD1 PHE 27 HD1 PHE 27 7.254 -1.289 -0.447 209 HD2 PHE 27 HD2 PHE 27 3.902 -0.499 -3.013 210 HE1 PHE 27 HE1 PHE 27 6.805 -3.723 -0.606 211 HE2 PHE 27 HE2 PHE 27 3.446 -2.932 -3.154 212 HZ PHE 27 HZ PHE 27 4.900 -4.545 -1.957 213 H SER 28 HN SER 28 4.294 3.443 0.683 214 HA SER 28 HA SER 28 6.158 5.396 -0.188 215 1HB SER 28 HB2 SER 28 4.513 5.424 2.357 216 2HB SER 28 HB1 SER 28 5.284 6.820 1.616 217 HG SER 28 HG SER 28 3.504 5.197 0.151 218 H ALA 29 HN ALA 29 7.958 6.329 0.783 219 HA ALA 29 HA ALA 29 9.426 4.567 2.634 220 1HB ALA 29 HB2 ALA 29 10.067 6.907 0.882 221 2HB ALA 29 HB1 ALA 29 11.075 6.700 2.309 222 3HB ALA 29 HB3 ALA 29 10.967 5.410 1.111 223 H THR 30 HN THR 30 9.276 4.868 4.809 224 HA THR 30 HA THR 30 7.789 7.074 5.903 225 HB THR 30 HB THR 30 7.951 4.915 7.081 226 HG1 THR 30 HG1 THR 30 7.610 6.723 8.355 227 1HG2 THR 30 HG23 THR 30 10.285 4.396 6.378 228 2HG2 THR 30 HG22 THR 30 10.868 5.621 7.505 229 3HG2 THR 30 HG21 THR 30 10.035 4.190 8.112 230 H TRP 31 HN TRP 31 11.184 6.473 5.229 231 HA TRP 31 HA TRP 31 12.213 8.691 6.790 232 1HB TRP 31 HB2 TRP 31 14.279 8.343 5.558 233 2HB TRP 31 HB1 TRP 31 13.613 6.788 6.049 234 HD1 TRP 31 HD1 TRP 31 12.976 5.112 4.202 235 HE1 TRP 31 HE1 TRP 31 13.198 5.098 1.631 236 HE3 TRP 31 HE3 TRP 31 14.044 10.027 3.398 237 HZ2 TRP 31 HZ2 TRP 31 13.725 6.953 -0.489 238 HZ3 TRP 31 HZ3 TRP 31 14.383 10.883 1.102 239 HH2 TRP 31 HH2 TRP 31 14.224 9.359 -0.840 240 H CYS 32 HN CYS 32 10.852 8.414 3.574 241 HA CYS 32 HA CYS 32 11.854 11.047 2.735 242 1HB CYS 32 HB2 CYS 32 11.347 8.981 1.228 243 2HB CYS 32 HB1 CYS 32 9.659 9.451 1.389 244 H GLY 33 HN GLY 33 10.877 12.885 3.419 245 1HA GLY 33 HA2 GLY 33 8.513 12.893 4.998 246 2HA GLY 33 HA1 GLY 33 9.240 14.323 4.272 247 HA PRO 34 HA PRO 34 6.271 14.706 1.024 248 1HB PRO 34 HB2 PRO 34 7.782 13.145 -1.020 249 2HB PRO 34 HB1 PRO 34 7.191 14.814 -1.083 250 1HG PRO 34 HG2 PRO 34 9.828 14.196 -0.753 251 2HG PRO 34 HG1 PRO 34 9.100 15.673 -0.099 252 1HD PRO 34 HD2 PRO 34 9.996 13.235 1.344 253 2HD PRO 34 HD1 PRO 34 9.779 14.887 1.967 254 H ALA 35 HN ALA 35 7.615 11.404 1.136 255 HA ALA 35 HA ALA 35 5.197 10.205 0.036 256 1HB ALA 35 HB3 ALA 35 7.712 9.328 0.097 257 2HB ALA 35 HB2 ALA 35 7.179 8.585 1.603 258 3HB ALA 35 HB1 ALA 35 6.359 8.201 0.089 259 H LYS 36 HN LYS 36 6.678 10.147 3.321 260 HA LYS 36 HA LYS 36 4.485 8.813 4.557 261 1HB LYS 36 HB2 LYS 36 6.760 9.206 5.589 262 2HB LYS 36 HB1 LYS 36 6.256 10.870 5.896 263 1HG LYS 36 HG2 LYS 36 4.244 9.949 7.119 264 2HG LYS 36 HG1 LYS 36 4.962 8.346 6.966 265 1HD LYS 36 HD2 LYS 36 7.049 9.296 8.068 266 2HD LYS 36 HD1 LYS 36 6.106 10.741 8.427 267 1HE LYS 36 HE2 LYS 36 5.993 9.323 10.367 268 2HE LYS 36 HE1 LYS 36 4.421 9.240 9.572 269 1HZ LYS 36 HZ2 LYS 36 6.017 7.287 8.414 270 2HZ LYS 36 HZ1 LYS 36 6.251 7.156 10.091 271 3HZ LYS 36 HZ3 LYS 36 4.686 7.060 9.445 272 H MET 37 HN MET 37 5.064 12.243 3.919 273 HA MET 37 HA MET 37 2.942 13.324 5.452 274 1HB MET 37 HB2 MET 37 4.754 14.630 4.278 275 2HB MET 37 HB1 MET 37 3.898 14.358 2.764 276 1HG MET 37 HG2 MET 37 2.507 15.586 5.150 277 2HG MET 37 HG1 MET 37 3.433 16.573 4.020 278 1HE MET 37 HE2 MET 37 3.176 16.138 1.383 279 2HE MET 37 HE1 MET 37 1.589 16.646 0.811 280 3HE MET 37 HE3 MET 37 2.452 17.616 2.014 281 H ILE 38 HN ILE 38 2.935 11.644 2.403 282 HA ILE 38 HA ILE 38 0.165 12.386 1.767 283 HB ILE 38 HB ILE 38 2.109 10.464 0.474 284 1HG1 ILE 38 HG12 ILE 38 1.132 13.139 -0.531 285 2HG1 ILE 38 HG11 ILE 38 2.558 12.997 0.494 286 1HG2 ILE 38 HG22 ILE 38 -0.691 11.330 -0.260 287 2HG2 ILE 38 HG21 ILE 38 0.449 10.765 -1.482 288 3HG2 ILE 38 HG23 ILE 38 -0.040 9.694 -0.170 289 1HD1 ILE 38 HD11 ILE 38 2.151 11.565 -2.131 290 2HD1 ILE 38 HD13 ILE 38 3.168 12.987 -1.884 291 3HD1 ILE 38 HD12 ILE 38 3.583 11.458 -1.108 292 H LYS 39 HN LYS 39 1.620 9.898 3.710 293 HA LYS 39 HA LYS 39 -0.236 7.845 3.011 294 1HB LYS 39 HB2 LYS 39 0.531 6.522 4.752 295 2HB LYS 39 HB1 LYS 39 1.928 7.477 4.292 296 1HG LYS 39 HG2 LYS 39 1.853 8.786 6.251 297 2HG LYS 39 HG1 LYS 39 0.166 8.412 6.578 298 1HD LYS 39 HD2 LYS 39 0.996 5.955 6.838 299 2HD LYS 39 HD1 LYS 39 2.595 6.678 6.995 300 1HE LYS 39 HE2 LYS 39 1.752 8.065 8.867 301 2HE LYS 39 HE1 LYS 39 0.164 7.309 8.693 302 1HZ LYS 39 HZ3 LYS 39 2.608 5.696 9.092 303 2HZ LYS 39 HZ2 LYS 39 1.750 6.339 10.409 304 3HZ LYS 39 HZ1 LYS 39 0.991 5.249 9.348 305 HA PRO 40 HA PRO 40 -2.744 9.474 6.959 306 1HB PRO 40 HB2 PRO 40 -3.139 12.183 5.774 307 2HB PRO 40 HB1 PRO 40 -2.957 11.714 7.477 308 1HG PRO 40 HG2 PRO 40 -0.973 12.947 6.091 309 2HG PRO 40 HG1 PRO 40 -0.651 11.787 7.389 310 1HD PRO 40 HD2 PRO 40 -0.330 11.451 4.475 311 2HD PRO 40 HD1 PRO 40 0.507 10.594 5.777 312 H PHE 41 HN PHE 41 -3.097 10.582 3.564 313 HA PHE 41 HA PHE 41 -5.978 10.275 3.613 314 1HB PHE 41 HB2 PHE 41 -3.966 10.176 1.330 315 2HB PHE 41 HB1 PHE 41 -5.707 10.103 1.112 316 HD1 PHE 41 HD2 PHE 41 -3.068 12.197 2.719 317 HD2 PHE 41 HD1 PHE 41 -6.935 12.075 0.862 318 HE1 PHE 41 HE2 PHE 41 -3.187 14.677 2.814 319 HE2 PHE 41 HE1 PHE 41 -7.066 14.557 0.967 320 HZ PHE 41 HZ PHE 41 -5.188 15.856 1.941 321 H PHE 42 HN PHE 42 -3.223 8.229 2.684 322 HA PHE 42 HA PHE 42 -4.697 5.911 1.917 323 1HB PHE 42 HB2 PHE 42 -2.345 6.119 1.387 324 2HB PHE 42 HB1 PHE 42 -1.919 6.219 3.092 325 HD1 PHE 42 HD1 PHE 42 -3.228 3.976 0.440 326 HD2 PHE 42 HD2 PHE 42 -1.771 4.276 4.471 327 HE1 PHE 42 HE1 PHE 42 -3.079 1.507 0.575 328 HE2 PHE 42 HE2 PHE 42 -1.620 1.807 4.605 329 HZ PHE 42 HZ PHE 42 -2.281 0.421 2.655 330 H HIS 43 HN HIS 43 -3.184 6.696 5.060 331 HA HIS 43 HA HIS 43 -4.241 4.415 6.439 332 1HB HIS 43 HB2 HIS 43 -2.278 5.716 7.229 333 2HB HIS 43 HB1 HIS 43 -3.325 7.106 7.511 334 HD1 HIS 43 HD1 HIS 43 -2.335 3.827 8.957 335 HD2 HIS 43 HD2 HIS 43 -5.161 6.786 9.683 336 HE1 HIS 43 HE1 HIS 43 -3.333 3.319 11.236 337 H SER 44 HN SER 44 -5.357 7.766 6.084 338 HA SER 44 HA SER 44 -7.513 7.650 7.922 339 1HB SER 44 HB2 SER 44 -7.231 9.300 5.401 340 2HB SER 44 HB1 SER 44 -8.475 9.546 6.620 341 HG SER 44 HG SER 44 -7.035 10.694 7.612 342 H LEU 45 HN LEU 45 -7.348 6.808 4.490 343 HA LEU 45 HA LEU 45 -10.126 6.374 4.039 344 1HB LEU 45 HB2 LEU 45 -7.668 5.196 2.758 345 2HB LEU 45 HB1 LEU 45 -9.285 4.847 2.177 346 HG LEU 45 HG LEU 45 -8.378 7.710 2.547 347 1HD1 LEU 45 HD11 LEU 45 -7.839 5.867 0.208 348 2HD1 LEU 45 HD13 LEU 45 -7.851 7.622 0.045 349 3HD1 LEU 45 HD12 LEU 45 -6.677 6.844 1.103 350 1HD2 LEU 45 HD22 LEU 45 -10.494 6.301 0.909 351 2HD2 LEU 45 HD21 LEU 45 -10.709 7.548 2.139 352 3HD2 LEU 45 HD23 LEU 45 -10.005 7.958 0.580 353 H SER 46 HN SER 46 -7.839 4.457 5.809 354 HA SER 46 HA SER 46 -8.941 1.885 5.456 355 1HB SER 46 HB2 SER 46 -7.837 3.108 8.000 356 2HB SER 46 HB1 SER 46 -8.089 1.388 7.732 357 HG SER 46 HG SER 46 -6.236 3.146 6.562 358 H GLU 47 HN GLU 47 -10.001 4.579 7.456 359 HA GLU 47 HA GLU 47 -12.208 3.030 8.619 360 1HB GLU 47 HB2 GLU 47 -11.478 5.984 8.689 361 2HB GLU 47 HB1 GLU 47 -12.865 5.295 9.531 362 1HG GLU 47 HG2 GLU 47 -11.107 5.366 11.143 363 2HG GLU 47 HG1 GLU 47 -11.224 3.681 10.642 364 H LYS 48 HN LYS 48 -11.638 4.946 5.760 365 HA LYS 48 HA LYS 48 -14.436 5.663 5.331 366 1HB LYS 48 HB2 LYS 48 -12.495 6.937 4.323 367 2HB LYS 48 HB1 LYS 48 -12.214 5.548 3.270 368 1HG LYS 48 HG2 LYS 48 -14.542 5.740 2.421 369 2HG LYS 48 HG1 LYS 48 -14.774 7.170 3.427 370 1HD LYS 48 HD2 LYS 48 -12.923 8.298 2.233 371 2HD LYS 48 HD1 LYS 48 -12.734 6.878 1.203 372 1HE LYS 48 HE2 LYS 48 -14.100 8.501 0.026 373 2HE LYS 48 HE1 LYS 48 -15.122 7.143 0.495 374 1HZ LYS 48 HZ2 LYS 48 -14.849 9.477 2.274 375 2HZ LYS 48 HZ1 LYS 48 -15.925 9.529 0.960 376 3HZ LYS 48 HZ3 LYS 48 -16.119 8.353 2.166 377 H TYR 49 HN TYR 49 -12.217 3.134 4.336 378 HA TYR 49 HA TYR 49 -14.556 1.556 3.287 379 1HB TYR 49 HB2 TYR 49 -11.687 1.571 2.263 380 2HB TYR 49 HB1 TYR 49 -12.944 0.453 1.728 381 HD1 TYR 49 HD2 TYR 49 -15.163 1.534 0.851 382 HD2 TYR 49 HD1 TYR 49 -11.424 3.631 1.143 383 HE1 TYR 49 HE2 TYR 49 -15.978 3.217 -0.780 384 HE2 TYR 49 HE1 TYR 49 -12.241 5.314 -0.483 385 HH TYR 49 HH TYR 49 -14.843 6.107 -1.158 386 H SER 50 HN SER 50 -14.437 1.170 5.726 387 HA SER 50 HA SER 50 -12.335 -0.355 6.898 388 1HB SER 50 HB2 SER 50 -13.899 -0.760 8.680 389 2HB SER 50 HB1 SER 50 -14.188 0.868 8.096 390 HG SER 50 HG SER 50 -16.154 0.204 7.818 391 H ASN 51 HN ASN 51 -14.549 -1.180 4.486 392 HA ASN 51 HA ASN 51 -14.601 -4.062 5.164 393 1HB ASN 51 HB2 ASN 51 -16.591 -2.832 4.149 394 2HB ASN 51 HB1 ASN 51 -15.649 -2.713 2.664 395 1HD2 ASN 51 HD22 ASN 51 -16.401 -5.999 1.675 396 2HD2 ASN 51 HD21 ASN 51 -15.816 -4.462 1.249 397 H VAL 52 HN VAL 52 -12.293 -2.141 4.130 398 HA VAL 52 HA VAL 52 -11.172 -4.125 2.199 399 HB VAL 52 HB VAL 52 -11.075 -1.098 2.102 400 1HG1 VAL 52 HG12 VAL 52 -9.281 -3.161 0.849 401 2HG1 VAL 52 HG11 VAL 52 -9.646 -1.683 -0.042 402 3HG1 VAL 52 HG13 VAL 52 -8.866 -1.596 1.536 403 1HG2 VAL 52 HG22 VAL 52 -12.083 -3.264 0.236 404 2HG2 VAL 52 HG21 VAL 52 -13.029 -2.006 1.030 405 3HG2 VAL 52 HG23 VAL 52 -11.896 -1.579 -0.252 406 H ILE 53 HN ILE 53 -8.910 -4.512 2.460 407 HA ILE 53 HA ILE 53 -7.878 -3.691 5.146 408 HB ILE 53 HB ILE 53 -6.749 -5.740 3.226 409 1HG1 ILE 53 HG12 ILE 53 -9.032 -6.395 3.727 410 2HG1 ILE 53 HG11 ILE 53 -7.945 -7.409 4.671 411 1HG2 ILE 53 HG23 ILE 53 -5.381 -4.774 5.205 412 2HG2 ILE 53 HG22 ILE 53 -6.470 -5.704 6.227 413 3HG2 ILE 53 HG21 ILE 53 -5.469 -6.525 5.032 414 1HD1 ILE 53 HD12 ILE 53 -8.268 -5.634 6.548 415 2HD1 ILE 53 HD11 ILE 53 -9.670 -5.120 5.612 416 3HD1 ILE 53 HD13 ILE 53 -9.584 -6.766 6.237 417 H PHE 54 HN PHE 54 -6.379 -2.087 5.258 418 HA PHE 54 HA PHE 54 -4.836 -1.338 2.786 419 1HB PHE 54 HB2 PHE 54 -5.553 0.230 5.286 420 2HB PHE 54 HB1 PHE 54 -4.453 0.825 4.047 421 HD1 PHE 54 HD1 PHE 54 -7.946 -0.345 4.635 422 HD2 PHE 54 HD2 PHE 54 -5.291 1.832 2.055 423 HE1 PHE 54 HE1 PHE 54 -9.887 0.517 3.356 424 HE2 PHE 54 HE2 PHE 54 -7.233 2.676 0.767 425 HZ PHE 54 HZ PHE 54 -9.531 2.015 1.416 426 H LEU 55 HN LEU 55 -2.660 -1.896 2.835 427 HA LEU 55 HA LEU 55 -1.361 -2.381 5.500 428 1HB LEU 55 HB2 LEU 55 -0.776 -3.549 2.767 429 2HB LEU 55 HB1 LEU 55 0.402 -3.624 4.075 430 HG LEU 55 HG LEU 55 -1.035 -4.975 5.417 431 1HD1 LEU 55 HD11 LEU 55 -3.180 -4.185 3.458 432 2HD1 LEU 55 HD13 LEU 55 -3.341 -5.631 4.456 433 3HD1 LEU 55 HD12 LEU 55 -3.175 -4.054 5.221 434 1HD2 LEU 55 HD23 LEU 55 0.115 -6.131 3.550 435 2HD2 LEU 55 HD22 LEU 55 -1.398 -6.925 3.984 436 3HD2 LEU 55 HD21 LEU 55 -1.317 -5.908 2.545 437 H GLU 56 HN GLU 56 0.607 -1.420 5.949 438 HA GLU 56 HA GLU 56 1.542 0.686 4.020 439 1HB GLU 56 HB2 GLU 56 0.666 1.533 6.232 440 2HB GLU 56 HB1 GLU 56 1.926 0.600 7.038 441 1HG GLU 56 HG2 GLU 56 3.624 1.843 5.642 442 2HG GLU 56 HG1 GLU 56 2.309 2.878 5.075 443 H VAL 57 HN VAL 57 3.592 0.332 3.233 444 HA VAL 57 HA VAL 57 5.307 -1.702 4.642 445 HB VAL 57 HB VAL 57 5.018 -1.310 1.646 446 1HG1 VAL 57 HG11 VAL 57 6.598 -3.233 3.368 447 2HG1 VAL 57 HG13 VAL 57 6.337 -3.468 1.644 448 3HG1 VAL 57 HG12 VAL 57 7.241 -2.065 2.208 449 1HG2 VAL 57 HG23 VAL 57 3.037 -2.368 2.712 450 2HG2 VAL 57 HG22 VAL 57 3.925 -3.503 1.693 451 3HG2 VAL 57 HG21 VAL 57 4.098 -3.570 3.440 452 H ASP 58 HN ASP 58 7.384 -1.136 4.966 453 HA ASP 58 HA ASP 58 8.280 1.563 4.098 454 1HB ASP 58 HB2 ASP 58 8.482 0.713 6.498 455 2HB ASP 58 HB1 ASP 58 9.689 -0.430 5.882 456 H VAL 59 HN VAL 59 9.490 1.650 2.235 457 HA VAL 59 HA VAL 59 10.553 -0.763 1.021 458 HB VAL 59 HB VAL 59 11.684 0.856 -0.515 459 1HG1 VAL 59 HG11 VAL 59 8.751 1.193 0.152 460 2HG1 VAL 59 HG13 VAL 59 9.483 2.011 -1.228 461 3HG1 VAL 59 HG12 VAL 59 9.469 0.251 -1.155 462 1HG2 VAL 59 HG23 VAL 59 12.094 2.605 1.237 463 2HG2 VAL 59 HG22 VAL 59 11.343 3.244 -0.222 464 3HG2 VAL 59 HG21 VAL 59 10.369 2.964 1.219 465 H ASP 60 HN ASP 60 11.649 1.414 3.460 466 HA ASP 60 HA ASP 60 14.490 0.641 3.098 467 1HB ASP 60 HB2 ASP 60 13.029 2.636 4.815 468 2HB ASP 60 HB1 ASP 60 14.681 2.187 5.188 469 H ASP 61 HN ASP 61 11.911 0.216 5.572 470 HA ASP 61 HA ASP 61 13.741 -1.613 7.062 471 1HB ASP 61 HB2 ASP 61 10.927 -0.676 7.725 472 2HB ASP 61 HB1 ASP 61 11.927 -1.700 8.747 473 H ALA 62 HN ALA 62 11.307 -1.640 4.697 474 HA ALA 62 HA ALA 62 10.964 -4.601 4.992 475 1HB ALA 62 HB1 ALA 62 8.930 -2.749 5.188 476 2HB ALA 62 HB3 ALA 62 8.883 -3.127 3.469 477 3HB ALA 62 HB2 ALA 62 8.695 -4.412 4.658 478 H GLN 63 HN GLN 63 13.082 -3.288 3.619 479 HA GLN 63 HA GLN 63 12.617 -2.848 0.858 480 1HB GLN 63 HB2 GLN 63 15.011 -3.175 0.560 481 2HB GLN 63 HB1 GLN 63 14.738 -2.289 2.062 482 1HG GLN 63 HG2 GLN 63 14.810 -4.522 3.264 483 2HG GLN 63 HG1 GLN 63 15.378 -5.231 1.752 484 1HE2 GLN 63 HE22 GLN 63 18.205 -3.849 4.016 485 2HE2 GLN 63 HE21 GLN 63 16.778 -4.647 4.477 486 H ASP 64 HN ASP 64 12.754 -5.794 2.679 487 HA ASP 64 HA ASP 64 13.399 -7.564 0.520 488 1HB ASP 64 HB2 ASP 64 12.254 -9.286 2.009 489 2HB ASP 64 HB1 ASP 64 13.561 -8.379 2.778 490 H VAL 65 HN VAL 65 10.336 -6.332 1.826 491 HA VAL 65 HA VAL 65 8.670 -7.819 0.017 492 HB VAL 65 HB VAL 65 8.062 -5.159 1.341 493 1HG1 VAL 65 HG13 VAL 65 6.473 -6.049 -0.399 494 2HG1 VAL 65 HG12 VAL 65 6.238 -7.468 0.624 495 3HG1 VAL 65 HG11 VAL 65 5.760 -5.875 1.206 496 1HG2 VAL 65 HG22 VAL 65 8.552 -7.827 2.509 497 2HG2 VAL 65 HG21 VAL 65 8.460 -6.271 3.306 498 3HG2 VAL 65 HG23 VAL 65 6.987 -7.171 2.964 499 H ALA 66 HN ALA 66 9.974 -4.490 -0.070 500 HA ALA 66 HA ALA 66 8.704 -3.852 -2.576 501 1HB ALA 66 HB2 ALA 66 9.647 -2.236 -0.807 502 2HB ALA 66 HB1 ALA 66 11.215 -2.538 -1.560 503 3HB ALA 66 HB3 ALA 66 9.900 -1.838 -2.505 504 H SER 67 HN SER 67 11.879 -5.161 -1.712 505 HA SER 67 HA SER 67 13.069 -4.926 -4.295 506 1HB SER 67 HB2 SER 67 14.623 -6.655 -3.534 507 2HB SER 67 HB1 SER 67 14.312 -5.530 -2.214 508 HG SER 67 HG SER 67 13.215 -8.110 -2.642 509 H GLU 68 HN GLU 68 10.833 -7.234 -2.911 510 HA GLU 68 HA GLU 68 11.046 -9.254 -4.926 511 1HB GLU 68 HB2 GLU 68 9.881 -9.478 -2.692 512 2HB GLU 68 HB1 GLU 68 8.564 -8.510 -3.355 513 1HG GLU 68 HG2 GLU 68 8.350 -10.181 -5.212 514 2HG GLU 68 HG1 GLU 68 9.551 -11.180 -4.392 515 H ALA 69 HN ALA 69 9.053 -6.325 -4.654 516 HA ALA 69 HA ALA 69 7.755 -6.861 -7.245 517 1HB ALA 69 HB1 ALA 69 6.586 -5.800 -5.246 518 2HB ALA 69 HB3 ALA 69 7.541 -4.354 -5.577 519 3HB ALA 69 HB2 ALA 69 6.400 -4.953 -6.782 520 H GLU 70 HN GLU 70 10.729 -5.673 -6.446 521 HA GLU 70 HA GLU 70 12.252 -4.274 -7.561 522 1HB GLU 70 HB2 GLU 70 10.379 -4.726 -9.904 523 2HB GLU 70 HB1 GLU 70 12.016 -4.089 -9.998 524 1HG GLU 70 HG2 GLU 70 11.292 -6.815 -8.915 525 2HG GLU 70 HG1 GLU 70 11.904 -6.498 -10.536 526 H VAL 71 HN VAL 71 10.527 -2.799 -6.022 527 HA VAL 71 HA VAL 71 8.982 -0.903 -7.520 528 HB VAL 71 HB VAL 71 10.340 -0.429 -4.842 529 1HG1 VAL 71 HG12 VAL 71 7.937 0.772 -6.256 530 2HG1 VAL 71 HG11 VAL 71 8.290 1.040 -4.551 531 3HG1 VAL 71 HG13 VAL 71 9.419 1.602 -5.788 532 1HG2 VAL 71 HG22 VAL 71 7.749 -1.826 -5.596 533 2HG2 VAL 71 HG21 VAL 71 9.073 -2.468 -4.626 534 3HG2 VAL 71 HG23 VAL 71 8.042 -1.193 -3.976 535 H LYS 72 HN LYS 72 9.654 0.778 -8.725 536 HA LYS 72 HA LYS 72 12.556 1.402 -8.770 537 1HB LYS 72 HB2 LYS 72 10.351 2.063 -10.737 538 2HB LYS 72 HB1 LYS 72 12.062 2.404 -10.971 539 1HG LYS 72 HG2 LYS 72 11.109 -0.420 -10.421 540 2HG LYS 72 HG1 LYS 72 11.089 0.243 -12.054 541 1HD LYS 72 HD2 LYS 72 13.542 0.802 -11.765 542 2HD LYS 72 HD1 LYS 72 13.502 -0.106 -10.255 543 1HE LYS 72 HE2 LYS 72 12.696 -2.100 -11.499 544 2HE LYS 72 HE1 LYS 72 12.821 -1.187 -13.003 545 1HZ LYS 72 HZ3 LYS 72 15.208 -1.091 -11.409 546 2HZ LYS 72 HZ2 LYS 72 14.796 -2.667 -11.891 547 3HZ LYS 72 HZ1 LYS 72 15.019 -1.451 -13.056 548 H ALA 73 HN ALA 73 9.595 2.691 -7.635 549 HA ALA 73 HA ALA 73 10.949 5.130 -6.796 550 1HB ALA 73 HB2 ALA 73 9.031 5.153 -9.089 551 2HB ALA 73 HB1 ALA 73 9.027 6.522 -7.976 552 3HB ALA 73 HB3 ALA 73 10.500 6.101 -8.851 553 H THR 74 HN THR 74 9.647 6.416 -5.333 554 HA THR 74 HA THR 74 7.162 5.083 -4.335 555 HB THR 74 HB THR 74 7.877 5.466 -2.041 556 HG1 THR 74 HG1 THR 74 9.142 7.046 -1.693 557 1HG2 THR 74 HG21 THR 74 10.090 4.295 -3.706 558 2HG2 THR 74 HG23 THR 74 9.992 4.163 -1.954 559 3HG2 THR 74 HG22 THR 74 8.750 3.427 -2.967 560 HA PRO 75 HA PRO 75 5.770 5.748 -2.477 561 1HB PRO 75 HB2 PRO 75 3.186 6.722 -2.593 562 2HB PRO 75 HB1 PRO 75 4.384 7.200 -1.380 563 1HG PRO 75 HG2 PRO 75 3.381 8.723 -3.725 564 2HG PRO 75 HG1 PRO 75 4.064 9.318 -2.205 565 1HD PRO 75 HD2 PRO 75 5.406 9.190 -4.699 566 2HD PRO 75 HD1 PRO 75 6.173 9.476 -3.113 567 H THR 76 HN THR 76 4.837 3.842 -3.146 568 HA THR 76 HA THR 76 3.450 3.810 -5.804 569 HB THR 76 HB THR 76 5.367 1.700 -4.769 570 HG1 THR 76 HG1 THR 76 6.232 3.715 -5.644 571 1HG2 THR 76 HG22 THR 76 3.599 1.874 -7.211 572 2HG2 THR 76 HG21 THR 76 5.009 0.815 -7.147 573 3HG2 THR 76 HG23 THR 76 3.677 0.582 -6.014 574 H PHE 77 HN PHE 77 1.539 2.846 -5.762 575 HA PHE 77 HA PHE 77 0.700 1.426 -3.257 576 1HB PHE 77 HB2 PHE 77 -0.952 2.872 -5.361 577 2HB PHE 77 HB1 PHE 77 -1.577 2.146 -3.876 578 HD1 PHE 77 HD1 PHE 77 -0.941 3.111 -1.637 579 HD2 PHE 77 HD2 PHE 77 0.223 4.950 -5.344 580 HE1 PHE 77 HE1 PHE 77 -0.375 5.204 -0.423 581 HE2 PHE 77 HE2 PHE 77 0.786 7.041 -4.133 582 HZ PHE 77 HZ PHE 77 0.488 7.174 -1.672 583 H GLN 78 HN GLN 78 0.270 -0.744 -3.502 584 HA GLN 78 HA GLN 78 -0.267 -1.782 -6.276 585 1HB GLN 78 HB2 GLN 78 1.236 -3.070 -3.979 586 2HB GLN 78 HB1 GLN 78 0.719 -3.941 -5.424 587 1HG GLN 78 HG2 GLN 78 2.014 -2.345 -6.814 588 2HG GLN 78 HG1 GLN 78 2.590 -1.553 -5.350 589 1HE2 GLN 78 HE22 GLN 78 5.332 -3.801 -5.589 590 2HE2 GLN 78 HE21 GLN 78 4.828 -2.189 -5.753 591 H PHE 79 HN PHE 79 -1.959 -3.143 -6.508 592 HA PHE 79 HA PHE 79 -3.743 -3.484 -4.122 593 1HB PHE 79 HB2 PHE 79 -4.332 -3.483 -7.094 594 2HB PHE 79 HB1 PHE 79 -5.532 -3.767 -5.826 595 HD1 PHE 79 HD2 PHE 79 -3.048 -1.320 -7.109 596 HD2 PHE 79 HD1 PHE 79 -6.444 -1.967 -4.569 597 HE1 PHE 79 HE2 PHE 79 -3.222 1.116 -6.732 598 HE2 PHE 79 HE1 PHE 79 -6.625 0.474 -4.185 599 HZ PHE 79 HZ PHE 79 -5.019 2.020 -5.272 600 H PHE 80 HN PHE 80 -4.186 -5.486 -3.407 601 HA PHE 80 HA PHE 80 -3.499 -7.822 -5.137 602 1HB PHE 80 HB2 PHE 80 -2.959 -7.413 -2.194 603 2HB PHE 80 HB1 PHE 80 -2.930 -9.002 -2.954 604 HD1 PHE 80 HD2 PHE 80 -1.242 -5.703 -2.745 605 HD2 PHE 80 HD1 PHE 80 -1.199 -9.612 -4.547 606 HE1 PHE 80 HE2 PHE 80 1.093 -5.347 -3.486 607 HE2 PHE 80 HE1 PHE 80 1.135 -9.243 -5.285 608 HZ PHE 80 HZ PHE 80 2.282 -7.111 -4.752 609 H LYS 81 HN LYS 81 -4.902 -9.572 -5.027 610 HA LYS 81 HA LYS 81 -7.230 -9.425 -3.200 611 1HB LYS 81 HB2 LYS 81 -7.728 -8.177 -5.383 612 2HB LYS 81 HB1 LYS 81 -7.607 -9.738 -6.195 613 1HG LYS 81 HG2 LYS 81 -9.332 -10.596 -4.531 614 2HG LYS 81 HG1 LYS 81 -9.572 -8.918 -4.049 615 1HD LYS 81 HD2 LYS 81 -9.838 -9.888 -6.907 616 2HD LYS 81 HD1 LYS 81 -11.198 -9.738 -5.798 617 1HE LYS 81 HE2 LYS 81 -10.511 -7.307 -5.469 618 2HE LYS 81 HE1 LYS 81 -9.407 -7.525 -6.827 619 1HZ LYS 81 HZ3 LYS 81 -11.467 -8.420 -8.027 620 2HZ LYS 81 HZ2 LYS 81 -12.351 -7.636 -6.808 621 3HZ LYS 81 HZ1 LYS 81 -11.321 -6.743 -7.823 622 H LYS 82 HN LYS 82 -7.645 -11.483 -2.484 623 HA LYS 82 HA LYS 82 -7.378 -13.794 -2.228 624 1HB LYS 82 HB2 LYS 82 -7.571 -13.675 -5.251 625 2HB LYS 82 HB1 LYS 82 -7.612 -15.164 -4.310 626 1HG LYS 82 HG2 LYS 82 -9.581 -14.187 -3.046 627 2HG LYS 82 HG1 LYS 82 -9.613 -12.892 -4.244 628 1HD LYS 82 HD2 LYS 82 -9.763 -14.660 -6.037 629 2HD LYS 82 HD1 LYS 82 -9.943 -15.860 -4.758 630 1HE LYS 82 HE2 LYS 82 -11.986 -14.804 -3.978 631 2HE LYS 82 HE1 LYS 82 -11.776 -13.472 -5.116 632 1HZ LYS 82 HZ1 LYS 82 -12.004 -16.297 -5.980 633 2HZ LYS 82 HZ3 LYS 82 -13.351 -15.279 -5.819 634 3HZ LYS 82 HZ2 LYS 82 -12.131 -14.899 -6.937 635 H GLY 83 HN GLY 83 -4.938 -12.142 -2.426 636 1HA GLY 83 HA2 GLY 83 -2.650 -12.651 -2.290 637 2HA GLY 83 HA1 GLY 83 -3.032 -14.310 -2.726 638 H GLN 84 HN GLN 84 -4.224 -11.825 -4.838 639 HA GLN 84 HA GLN 84 -1.966 -12.337 -6.737 640 1HB GLN 84 HB2 GLN 84 -4.933 -12.291 -7.322 641 2HB GLN 84 HB1 GLN 84 -3.690 -12.251 -8.569 642 1HG GLN 84 HG2 GLN 84 -2.781 -14.400 -7.680 643 2HG GLN 84 HG1 GLN 84 -4.122 -14.453 -6.532 644 1HE2 GLN 84 HE22 GLN 84 -6.475 -14.598 -9.476 645 2HE2 GLN 84 HE21 GLN 84 -6.196 -13.447 -8.261 646 H LYS 85 HN LYS 85 -1.233 -10.536 -7.868 647 HA LYS 85 HA LYS 85 -2.204 -7.907 -6.980 648 1HB LYS 85 HB2 LYS 85 0.223 -8.415 -7.373 649 2HB LYS 85 HB1 LYS 85 -0.136 -8.543 -9.096 650 1HG LYS 85 HG2 LYS 85 -1.109 -6.207 -8.968 651 2HG LYS 85 HG1 LYS 85 -0.470 -6.104 -7.333 652 1HD LYS 85 HD2 LYS 85 1.202 -6.724 -9.777 653 2HD LYS 85 HD1 LYS 85 1.042 -5.119 -9.069 654 1HE LYS 85 HE2 LYS 85 1.806 -6.238 -6.861 655 2HE LYS 85 HE1 LYS 85 2.344 -7.568 -7.891 656 1HZ LYS 85 HZ2 LYS 85 3.203 -5.244 -9.112 657 2HZ LYS 85 HZ1 LYS 85 3.558 -5.047 -7.461 658 3HZ LYS 85 HZ3 LYS 85 4.159 -6.393 -8.301 659 H VAL 86 HN VAL 86 -3.709 -6.722 -8.036 660 HA VAL 86 HA VAL 86 -4.346 -7.394 -10.889 661 HB VAL 86 HB VAL 86 -6.696 -6.668 -10.313 662 1HG1 VAL 86 HG11 VAL 86 -5.913 -9.084 -10.400 663 2HG1 VAL 86 HG13 VAL 86 -5.740 -9.010 -8.645 664 3HG1 VAL 86 HG12 VAL 86 -7.325 -8.793 -9.385 665 1HG2 VAL 86 HG21 VAL 86 -5.996 -5.421 -8.251 666 2HG2 VAL 86 HG23 VAL 86 -7.322 -6.550 -7.969 667 3HG2 VAL 86 HG22 VAL 86 -5.683 -6.972 -7.474 668 H GLY 87 HN GLY 87 -2.820 -5.081 -9.168 669 1HA GLY 87 HA2 GLY 87 -3.206 -3.046 -11.149 670 2HA GLY 87 HA1 GLY 87 -4.231 -2.676 -9.769 671 H GLU 88 HN GLU 88 -1.915 -1.192 -10.794 672 HA GLU 88 HA GLU 88 -0.616 -0.634 -8.268 673 1HB GLU 88 HB2 GLU 88 0.778 -2.531 -8.781 674 2HB GLU 88 HB1 GLU 88 0.975 -2.008 -10.450 675 1HG GLU 88 HG2 GLU 88 2.287 -0.078 -9.746 676 2HG GLU 88 HG1 GLU 88 1.976 -0.431 -8.049 677 H PHE 89 HN PHE 89 0.506 1.347 -8.328 678 HA PHE 89 HA PHE 89 1.146 2.636 -10.841 679 1HB PHE 89 HB2 PHE 89 -0.411 4.455 -10.833 680 2HB PHE 89 HB1 PHE 89 -1.356 2.975 -10.733 681 HD1 PHE 89 HD1 PHE 89 -0.022 5.833 -8.797 682 HD2 PHE 89 HD2 PHE 89 -2.716 2.500 -8.804 683 HE1 PHE 89 HE1 PHE 89 -1.091 6.705 -6.736 684 HE2 PHE 89 HE2 PHE 89 -3.794 3.368 -6.741 685 HZ PHE 89 HZ PHE 89 -2.981 5.477 -5.708 686 H SER 90 HN SER 90 2.045 4.821 -10.457 687 HA SER 90 HA SER 90 3.038 5.175 -7.648 688 1HB SER 90 HB2 SER 90 5.169 5.936 -8.606 689 2HB SER 90 HB1 SER 90 4.831 4.276 -9.100 690 HG SER 90 HG SER 90 4.238 5.007 -11.096 691 H GLY 91 HN GLY 91 3.653 7.399 -7.168 692 1HA GLY 91 HA2 GLY 91 3.704 9.750 -8.112 693 2HA GLY 91 HA1 GLY 91 2.142 9.395 -8.841 694 H ALA 92 HN ALA 92 3.006 11.399 -6.736 695 HA ALA 92 HA ALA 92 1.706 10.544 -4.280 696 1HB ALA 92 HB3 ALA 92 2.756 13.162 -5.348 697 2HB ALA 92 HB2 ALA 92 1.866 13.103 -3.829 698 3HB ALA 92 HB1 ALA 92 3.373 12.198 -4.011 699 H ASN 93 HN ASN 93 -0.306 9.879 -5.788 700 HA ASN 93 HA ASN 93 -2.214 12.207 -5.824 701 1HB ASN 93 HB2 ASN 93 -1.663 11.177 -8.099 702 2HB ASN 93 HB1 ASN 93 -2.461 9.714 -7.523 703 1HD2 ASN 93 HD22 ASN 93 -5.250 12.574 -7.161 704 2HD2 ASN 93 HD21 ASN 93 -3.956 12.402 -6.078 705 H LYS 94 HN LYS 94 -2.966 11.828 -3.704 706 HA LYS 94 HA LYS 94 -3.633 9.209 -2.716 707 1HB LYS 94 HB2 LYS 94 -4.851 10.490 -0.952 708 2HB LYS 94 HB1 LYS 94 -3.166 10.948 -1.149 709 1HG LYS 94 HG2 LYS 94 -4.862 12.536 -2.923 710 2HG LYS 94 HG1 LYS 94 -5.425 12.679 -1.262 711 1HD LYS 94 HD2 LYS 94 -3.084 13.235 -0.572 712 2HD LYS 94 HD1 LYS 94 -2.611 13.202 -2.273 713 1HE LYS 94 HE2 LYS 94 -4.174 15.005 -2.777 714 2HE LYS 94 HE1 LYS 94 -4.768 14.992 -1.114 715 1HZ LYS 94 HZ3 LYS 94 -1.972 15.577 -1.933 716 2HZ LYS 94 HZ2 LYS 94 -3.129 16.748 -1.509 717 3HZ LYS 94 HZ1 LYS 94 -2.583 15.629 -0.351 718 H GLU 95 HN GLU 95 -5.542 11.653 -4.443 719 HA GLU 95 HA GLU 95 -8.108 10.507 -3.915 720 1HB GLU 95 HB2 GLU 95 -7.147 12.039 -6.357 721 2HB GLU 95 HB1 GLU 95 -8.825 11.697 -5.972 722 1HG GLU 95 HG2 GLU 95 -8.571 13.852 -5.093 723 2HG GLU 95 HG1 GLU 95 -8.292 12.837 -3.679 724 H LYS 96 HN LYS 96 -5.563 9.721 -6.169 725 HA LYS 96 HA LYS 96 -7.000 8.095 -8.001 726 1HB LYS 96 HB2 LYS 96 -4.610 8.913 -8.165 727 2HB LYS 96 HB1 LYS 96 -4.166 7.638 -7.050 728 1HG LYS 96 HG2 LYS 96 -4.762 5.925 -8.572 729 2HG LYS 96 HG1 LYS 96 -5.672 7.036 -9.598 730 1HD LYS 96 HD2 LYS 96 -3.554 8.224 -10.149 731 2HD LYS 96 HD1 LYS 96 -2.664 7.048 -9.186 732 1HE LYS 96 HE2 LYS 96 -3.494 5.226 -10.662 733 2HE LYS 96 HE1 LYS 96 -4.349 6.423 -11.636 734 1HZ LYS 96 HZ2 LYS 96 -1.417 6.405 -11.167 735 2HZ LYS 96 HZ1 LYS 96 -2.177 5.820 -12.569 736 3HZ LYS 96 HZ3 LYS 96 -2.272 7.467 -12.180 737 H LEU 97 HN LEU 97 -5.680 7.431 -4.799 738 HA LEU 97 HA LEU 97 -5.894 4.597 -4.830 739 1HB LEU 97 HB2 LEU 97 -6.224 6.633 -2.608 740 2HB LEU 97 HB1 LEU 97 -6.279 4.902 -2.309 741 HG LEU 97 HG LEU 97 -3.947 6.158 -3.741 742 1HD1 LEU 97 HD13 LEU 97 -4.281 7.304 -1.543 743 2HD1 LEU 97 HD12 LEU 97 -4.199 5.736 -0.749 744 3HD1 LEU 97 HD11 LEU 97 -2.790 6.367 -1.600 745 1HD2 LEU 97 HD21 LEU 97 -4.611 3.503 -3.308 746 2HD2 LEU 97 HD23 LEU 97 -2.974 4.093 -3.552 747 3HD2 LEU 97 HD22 LEU 97 -3.584 3.832 -1.921 748 H GLU 98 HN GLU 98 -8.197 7.156 -4.159 749 HA GLU 98 HA GLU 98 -10.340 5.514 -3.216 750 1HB GLU 98 HB2 GLU 98 -10.295 7.979 -2.972 751 2HB GLU 98 HB1 GLU 98 -10.525 8.145 -4.715 752 1HG GLU 98 HG2 GLU 98 -12.683 6.985 -4.570 753 2HG GLU 98 HG1 GLU 98 -12.451 6.734 -2.841 754 H ALA 99 HN ALA 99 -9.514 6.560 -6.512 755 HA ALA 99 HA ALA 99 -11.883 5.448 -7.707 756 1HB ALA 99 HB2 ALA 99 -10.526 7.173 -8.814 757 2HB ALA 99 HB1 ALA 99 -9.182 6.039 -8.946 758 3HB ALA 99 HB3 ALA 99 -10.673 5.746 -9.841 759 H THR 100 HN THR 100 -8.580 4.111 -7.387 760 HA THR 100 HA THR 100 -9.148 1.760 -8.906 761 HB THR 100 HB THR 100 -7.142 1.967 -6.647 762 HG1 THR 100 HG1 THR 100 -6.371 3.508 -7.858 763 1HG2 THR 100 HG21 THR 100 -7.356 0.302 -9.170 764 2HG2 THR 100 HG23 THR 100 -5.911 0.377 -8.165 765 3HG2 THR 100 HG22 THR 100 -7.410 -0.278 -7.508 766 H ILE 101 HN ILE 101 -9.500 2.467 -5.451 767 HA ILE 101 HA ILE 101 -10.144 -0.190 -4.580 768 HB ILE 101 HB ILE 101 -11.008 2.538 -3.571 769 1HG1 ILE 101 HG12 ILE 101 -9.104 0.591 -2.253 770 2HG1 ILE 101 HG11 ILE 101 -8.535 1.690 -3.507 771 1HG2 ILE 101 HG22 ILE 101 -11.525 -0.232 -2.469 772 2HG2 ILE 101 HG21 ILE 101 -11.516 1.194 -1.432 773 3HG2 ILE 101 HG23 ILE 101 -12.685 1.068 -2.747 774 1HD1 ILE 101 HD12 ILE 101 -9.496 3.598 -2.170 775 2HD1 ILE 101 HD11 ILE 101 -9.851 2.444 -0.885 776 3HD1 ILE 101 HD13 ILE 101 -8.183 2.749 -1.361 777 H ASN 102 HN ASN 102 -12.188 2.519 -5.620 778 HA ASN 102 HA ASN 102 -14.682 1.153 -5.500 779 1HB ASN 102 HB2 ASN 102 -14.478 3.605 -5.734 780 2HB ASN 102 HB1 ASN 102 -13.801 3.395 -7.349 781 1HD2 ASN 102 HD22 ASN 102 -17.777 3.434 -6.902 782 2HD2 ASN 102 HD21 ASN 102 -16.695 3.911 -5.686 783 H GLU 103 HN GLU 103 -12.155 1.316 -7.939 784 HA GLU 103 HA GLU 103 -13.637 0.075 -10.067 785 1HB GLU 103 HB2 GLU 103 -11.443 1.379 -10.219 786 2HB GLU 103 HB1 GLU 103 -10.651 -0.070 -9.604 787 1HG GLU 103 HG2 GLU 103 -11.699 -1.369 -11.493 788 2HG GLU 103 HG1 GLU 103 -12.241 0.170 -12.169 789 H LEU 104 HN LEU 104 -11.507 -1.200 -7.520 790 HA LEU 104 HA LEU 104 -12.033 -3.980 -8.448 791 1HB LEU 104 HB2 LEU 104 -10.085 -2.883 -6.407 792 2HB LEU 104 HB1 LEU 104 -10.212 -4.579 -6.866 793 HG LEU 104 HG LEU 104 -9.569 -2.302 -8.764 794 1HD1 LEU 104 HD11 LEU 104 -7.842 -4.337 -7.352 795 2HD1 LEU 104 HD13 LEU 104 -7.304 -3.486 -8.800 796 3HD1 LEU 104 HD12 LEU 104 -7.688 -2.583 -7.336 797 1HD2 LEU 104 HD21 LEU 104 -10.030 -5.255 -9.106 798 2HD2 LEU 104 HD23 LEU 104 -10.459 -3.924 -10.178 799 3HD2 LEU 104 HD22 LEU 104 -8.793 -4.491 -10.106 800 H VAL 105 HN VAL 105 -13.543 -1.884 -6.343 801 HA VAL 105 HA VAL 105 -13.821 -3.575 -4.010 802 HB VAL 105 HB VAL 105 -14.420 -1.087 -4.127 803 1HG1 VAL 105 HG11 VAL 105 -15.848 -1.514 -6.261 804 2HG1 VAL 105 HG13 VAL 105 -17.102 -2.027 -5.136 805 3HG1 VAL 105 HG12 VAL 105 -16.466 -0.384 -5.058 806 1HG2 VAL 105 HG21 VAL 105 -16.470 -3.041 -3.042 807 2HG2 VAL 105 HG23 VAL 105 -15.018 -2.487 -2.205 808 3HG2 VAL 105 HG22 VAL 105 -16.323 -1.353 -2.554 809 HA PRO 59 HA PRO 106 14.344 15.109 -13.449 810 1HB PRO 59 HB2 PRO 106 16.487 13.771 -12.329 811 2HB PRO 59 HB1 PRO 106 16.527 14.491 -13.951 812 1HG PRO 59 HG2 PRO 106 17.614 15.557 -11.384 813 2HG PRO 59 HG1 PRO 106 18.315 15.612 -13.013 814 1HD PRO 59 HD2 PRO 106 17.055 17.757 -11.873 815 2HD PRO 59 HD1 PRO 106 17.066 17.473 -13.629 816 H ALA 60 HN ALA 107 15.242 16.498 -10.401 817 HA ALA 60 HA ALA 107 14.189 14.263 -8.802 818 1HB ALA 60 HB3 ALA 107 16.142 15.655 -8.049 819 2HB ALA 60 HB2 ALA 107 15.049 17.030 -7.902 820 3HB ALA 60 HB1 ALA 107 14.822 15.611 -6.882 821 H THR 61 HN THR 108 12.064 14.069 -8.461 822 HA THR 61 HA THR 108 10.304 16.494 -8.648 823 HB THR 61 HB THR 108 9.511 13.579 -8.905 824 HG1 THR 61 HG1 THR 108 10.521 13.735 -10.734 825 1HG2 THR 61 HG23 THR 108 7.794 15.402 -8.346 826 2HG2 THR 61 HG22 THR 108 8.117 16.042 -9.958 827 3HG2 THR 61 HG21 THR 108 7.461 14.417 -9.769 828 H LEU 62 HN LEU 109 9.222 17.087 -6.802 829 HA LEU 62 HA LEU 109 9.761 15.783 -4.292 830 1HB LEU 62 HB2 LEU 109 7.703 17.855 -5.105 831 2HB LEU 62 HB1 LEU 109 7.940 17.327 -3.440 832 HG LEU 62 HG LEU 109 10.129 18.496 -5.182 833 1HD1 LEU 62 HD13 LEU 109 8.356 20.149 -4.733 834 2HD1 LEU 62 HD12 LEU 109 8.467 19.809 -3.008 835 3HD1 LEU 62 HD11 LEU 109 9.828 20.551 -3.850 836 1HD2 LEU 62 HD21 LEU 109 9.984 17.482 -2.353 837 2HD2 LEU 62 HD23 LEU 109 11.295 17.353 -3.525 838 3HD2 LEU 62 HD22 LEU 109 11.018 18.871 -2.682 839 H LYS 63 HN LYS 110 7.194 15.553 -6.657 840 HA LYS 63 HA LYS 110 5.241 14.198 -5.059 841 1HB LYS 63 HB2 LYS 110 5.764 14.006 -8.043 842 2HB LYS 63 HB1 LYS 110 4.286 13.486 -7.236 843 1HG LYS 63 HG2 LYS 110 5.298 16.317 -6.960 844 2HG LYS 63 HG1 LYS 110 4.317 15.836 -8.340 845 1HD LYS 63 HD2 LYS 110 2.563 15.018 -6.757 846 2HD LYS 63 HD1 LYS 110 3.521 15.650 -5.419 847 1HE LYS 63 HE2 LYS 110 3.394 17.909 -6.350 848 2HE LYS 63 HE1 LYS 110 2.498 17.305 -7.742 849 1HZ LYS 63 HZ2 LYS 110 0.943 16.374 -5.874 850 2HZ LYS 63 HZ1 LYS 110 1.621 17.639 -4.965 851 3HZ LYS 63 HZ3 LYS 110 0.796 17.980 -6.407 852 H ILE 64 HN ILE 111 8.216 13.152 -6.431 853 HA ILE 64 HA ILE 111 7.620 10.317 -5.629 854 HB ILE 64 HB ILE 111 9.100 11.329 -8.078 855 1HG1 ILE 64 HG12 ILE 111 6.672 11.241 -8.364 856 2HG1 ILE 64 HG11 ILE 111 7.439 9.975 -9.312 857 1HG2 ILE 64 HG22 ILE 111 9.030 8.607 -6.791 858 2HG2 ILE 64 HG21 ILE 111 9.303 8.783 -8.526 859 3HG2 ILE 64 HG23 ILE 111 10.420 9.523 -7.377 860 1HD1 ILE 64 HD11 ILE 111 6.988 8.574 -7.045 861 2HD1 ILE 64 HD13 ILE 111 5.689 9.755 -6.916 862 3HD1 ILE 64 HD12 ILE 111 5.790 8.710 -8.328 863 H CYS 65 HN CYS 112 9.326 9.322 -4.476 864 HA CYS 65 HA CYS 112 11.693 11.042 -3.864 865 1HB CYS 65 HB2 CYS 112 10.904 8.430 -2.536 866 2HB CYS 65 HB1 CYS 112 12.125 9.565 -1.985 867 H SER 66 HN SER 113 13.681 10.433 -4.750 868 HA SER 66 HA SER 113 13.689 8.189 -6.635 869 1HB SER 66 HB2 SER 113 15.877 10.095 -5.777 870 2HB SER 66 HB1 SER 113 16.042 8.901 -7.061 871 HG SER 66 HG SER 113 15.072 11.321 -7.252 872 H TRP 67 HN TRP 114 14.891 6.275 -6.477 873 HA TRP 67 HA TRP 114 15.538 5.380 -3.762 874 1HB TRP 67 HB2 TRP 114 15.725 4.016 -6.464 875 2HB TRP 67 HB1 TRP 114 16.196 3.239 -4.950 876 HD1 TRP 67 HD1 TRP 114 13.147 5.297 -6.116 877 HE1 TRP 67 HE1 TRP 114 11.019 4.139 -5.253 878 HE3 TRP 67 HE3 TRP 114 15.202 1.296 -3.717 879 HZ2 TRP 67 HZ2 TRP 114 10.305 1.857 -3.716 880 HZ3 TRP 67 HZ3 TRP 114 13.776 -0.353 -2.571 881 HH2 TRP 67 HH2 TRP 114 11.323 -0.082 -2.585 882 H ASN 68 HN ASN 115 17.198 6.950 -6.301 883 HA ASN 68 HA ASN 115 19.827 5.877 -6.031 884 1HB ASN 68 HB2 ASN 115 18.901 8.711 -6.645 885 2HB ASN 68 HB1 ASN 115 20.582 8.183 -6.755 886 1HD2 ASN 68 HD22 ASN 115 18.598 5.759 -9.263 887 2HD2 ASN 68 HD21 ASN 115 18.553 5.587 -7.576 888 H VAL 69 HN VAL 116 17.827 7.446 -3.838 889 HA VAL 69 HA VAL 116 19.758 8.872 -2.245 890 HB VAL 69 HB VAL 116 17.338 9.298 -2.075 891 1HG1 VAL 69 HG13 VAL 116 16.837 6.743 -2.385 892 2HG1 VAL 69 HG12 VAL 116 17.014 6.661 -0.635 893 3HG1 VAL 69 HG11 VAL 116 15.776 7.689 -1.349 894 1HG2 VAL 69 HG23 VAL 116 18.888 9.679 -0.121 895 2HG2 VAL 69 HG22 VAL 116 17.207 9.410 0.339 896 3HG2 VAL 69 HG21 VAL 116 18.384 8.113 0.507 897 H ASP 70 HN ASP 117 20.923 8.125 -0.431 898 HA ASP 70 HA ASP 117 21.771 5.411 -0.430 899 1HB ASP 70 HB2 ASP 117 21.920 7.564 1.696 900 2HB ASP 70 HB1 ASP 117 22.691 5.989 1.870 901 H GLY 71 HN GLY 118 19.324 7.087 1.526 902 1HA GLY 71 HA2 GLY 118 17.625 6.235 2.899 903 2HA GLY 71 HA1 GLY 118 17.677 4.814 1.856 No H/Q in entry = 903 Start of MODEL 6 1 1H MET 1 HT3 MET 1 -8.624 -0.235 8.879 2 2H MET 1 HT2 MET 1 -9.522 -0.797 10.206 3 3H MET 1 HT1 MET 1 -9.137 0.853 10.075 4 HA MET 1 HA MET 1 -7.304 0.512 11.246 5 1HB MET 1 HB2 MET 1 -8.019 -2.420 10.939 6 2HB MET 1 HB1 MET 1 -6.769 -1.808 12.021 7 1HG MET 1 HG2 MET 1 -9.695 -1.011 12.129 8 2HG MET 1 HG1 MET 1 -8.936 -2.206 13.185 9 1HE MET 1 HE3 MET 1 -10.519 -0.315 14.270 10 2HE MET 1 HE2 MET 1 -9.453 -0.776 15.597 11 3HE MET 1 HE1 MET 1 -9.771 0.930 15.282 12 H VAL 2 HN VAL 2 -5.117 0.420 10.731 13 HA VAL 2 HA VAL 2 -4.455 -0.588 7.992 14 HB VAL 2 HB VAL 2 -3.038 1.347 9.850 15 1HG1 VAL 2 HG12 VAL 2 -2.218 0.113 7.210 16 2HG1 VAL 2 HG11 VAL 2 -1.562 1.658 7.761 17 3HG1 VAL 2 HG13 VAL 2 -1.290 0.193 8.709 18 1HG2 VAL 2 HG22 VAL 2 -4.406 1.632 7.159 19 2HG2 VAL 2 HG21 VAL 2 -5.000 2.256 8.696 20 3HG2 VAL 2 HG23 VAL 2 -3.530 2.921 7.984 21 H LYS 3 HN LYS 3 -2.392 -1.769 7.736 22 HA LYS 3 HA LYS 3 -1.478 -3.174 10.232 23 1HB LYS 3 HB2 LYS 3 -3.027 -4.566 8.828 24 2HB LYS 3 HB1 LYS 3 -1.897 -4.399 7.489 25 1HG LYS 3 HG2 LYS 3 -1.190 -6.430 8.388 26 2HG LYS 3 HG1 LYS 3 -0.141 -5.322 9.264 27 1HD LYS 3 HD2 LYS 3 -1.724 -5.315 11.156 28 2HD LYS 3 HD1 LYS 3 -2.780 -6.420 10.273 29 1HE LYS 3 HE2 LYS 3 -1.421 -7.713 11.834 30 2HE LYS 3 HE1 LYS 3 -0.906 -8.074 10.186 31 1HZ LYS 3 HZ2 LYS 3 0.419 -5.913 11.679 32 2HZ LYS 3 HZ1 LYS 3 0.844 -7.529 11.999 33 3HZ LYS 3 HZ3 LYS 3 1.032 -6.895 10.435 34 H GLN 4 HN GLN 4 0.716 -2.958 10.471 35 HA GLN 4 HA GLN 4 2.305 -1.955 8.165 36 1HB GLN 4 HB2 GLN 4 2.558 -0.823 10.366 37 2HB GLN 4 HB1 GLN 4 3.112 -2.344 11.067 38 1HG GLN 4 HG2 GLN 4 5.020 -2.382 9.481 39 2HG GLN 4 HG1 GLN 4 4.467 -0.850 8.797 40 1HE2 GLN 4 HE22 GLN 4 6.710 0.600 11.156 41 2HE2 GLN 4 HE21 GLN 4 6.479 0.214 9.518 42 H ILE 5 HN ILE 5 3.416 -3.376 6.947 43 HA ILE 5 HA ILE 5 4.015 -6.093 8.038 44 HB ILE 5 HB ILE 5 4.262 -5.104 5.192 45 1HG1 ILE 5 HG12 ILE 5 1.934 -4.852 5.827 46 2HG1 ILE 5 HG11 ILE 5 2.085 -6.302 4.835 47 1HG2 ILE 5 HG23 ILE 5 4.184 -7.830 6.488 48 2HG2 ILE 5 HG22 ILE 5 4.072 -7.562 4.755 49 3HG2 ILE 5 HG21 ILE 5 5.534 -7.101 5.618 50 1HD1 ILE 5 HD13 ILE 5 2.332 -7.577 7.076 51 2HD1 ILE 5 HD12 ILE 5 1.697 -6.112 7.822 52 3HD1 ILE 5 HD11 ILE 5 0.729 -6.990 6.640 53 H GLU 6 HN GLU 6 6.063 -6.277 8.844 54 HA GLU 6 HA GLU 6 8.178 -4.436 7.856 55 1HB GLU 6 HB2 GLU 6 8.157 -6.350 10.217 56 2HB GLU 6 HB1 GLU 6 9.427 -5.189 9.835 57 1HG GLU 6 HG2 GLU 6 8.130 -4.057 11.440 58 2HG GLU 6 HG1 GLU 6 7.548 -3.408 9.907 59 H SER 7 HN SER 7 7.022 -7.496 7.110 60 HA SER 7 HA SER 7 9.607 -8.196 5.841 61 1HB SER 7 HB2 SER 7 9.621 -10.473 6.814 62 2HB SER 7 HB1 SER 7 9.800 -9.232 8.060 63 HG SER 7 HG SER 7 7.209 -9.668 7.651 64 H LYS 8 HN LYS 8 9.421 -9.839 4.223 65 HA LYS 8 HA LYS 8 6.945 -9.843 2.760 66 1HB LYS 8 HB2 LYS 8 9.268 -10.297 1.788 67 2HB LYS 8 HB1 LYS 8 9.154 -11.904 2.507 68 1HG LYS 8 HG2 LYS 8 6.919 -12.139 1.281 69 2HG LYS 8 HG1 LYS 8 7.381 -10.700 0.377 70 1HD LYS 8 HD2 LYS 8 9.057 -13.224 0.544 71 2HD LYS 8 HD1 LYS 8 7.978 -12.828 -0.797 72 1HE LYS 8 HE2 LYS 8 9.294 -10.617 -0.964 73 2HE LYS 8 HE1 LYS 8 10.493 -11.399 0.065 74 1HZ LYS 8 HZ3 LYS 8 9.660 -13.104 -2.058 75 2HZ LYS 8 HZ2 LYS 8 10.269 -11.636 -2.656 76 3HZ LYS 8 HZ1 LYS 8 11.226 -12.601 -1.634 77 H THR 9 HN THR 9 8.382 -11.971 5.163 78 HA THR 9 HA THR 9 6.648 -14.197 4.812 79 HB THR 9 HB THR 9 7.759 -13.161 7.436 80 HG1 THR 9 HG1 THR 9 9.519 -13.562 6.311 81 1HG2 THR 9 HG23 THR 9 6.715 -15.873 6.559 82 2HG2 THR 9 HG22 THR 9 7.613 -15.605 8.054 83 3HG2 THR 9 HG21 THR 9 6.046 -14.831 7.817 84 H ALA 10 HN ALA 10 6.283 -11.279 6.809 85 HA ALA 10 HA ALA 10 3.636 -12.020 7.717 86 1HB ALA 10 HB1 ALA 10 5.244 -9.470 7.749 87 2HB ALA 10 HB3 ALA 10 3.534 -9.437 8.180 88 3HB ALA 10 HB2 ALA 10 4.662 -10.425 9.107 89 H PHE 11 HN PHE 11 4.912 -10.301 4.920 90 HA PHE 11 HA PHE 11 2.510 -9.071 4.008 91 1HB PHE 11 HB2 PHE 11 4.859 -8.813 3.033 92 2HB PHE 11 HB1 PHE 11 4.633 -10.377 2.269 93 HD1 PHE 11 HD1 PHE 11 2.767 -7.142 2.672 94 HD2 PHE 11 HD2 PHE 11 3.840 -10.389 0.070 95 HE1 PHE 11 HE1 PHE 11 1.553 -6.053 0.807 96 HE2 PHE 11 HE2 PHE 11 2.625 -9.296 -1.792 97 HZ PHE 11 HZ PHE 11 1.478 -7.132 -1.422 98 H GLN 12 HN GLN 12 3.853 -12.304 3.454 99 HA GLN 12 HA GLN 12 1.765 -13.256 1.729 100 1HB GLN 12 HB2 GLN 12 3.603 -14.747 3.649 101 2HB GLN 12 HB1 GLN 12 2.626 -15.509 2.393 102 1HG GLN 12 HG2 GLN 12 4.736 -13.389 1.879 103 2HG GLN 12 HG1 GLN 12 4.991 -15.121 1.676 104 1HE2 GLN 12 HE22 GLN 12 2.397 -15.149 -1.016 105 2HE2 GLN 12 HE21 GLN 12 2.556 -15.901 0.494 106 H GLU 13 HN GLU 13 2.250 -13.391 5.247 107 HA GLU 13 HA GLU 13 -0.112 -14.890 5.872 108 1HB GLU 13 HB2 GLU 13 1.480 -12.882 7.503 109 2HB GLU 13 HB1 GLU 13 0.222 -13.902 8.172 110 1HG GLU 13 HG2 GLU 13 2.681 -14.943 6.741 111 2HG GLU 13 HG1 GLU 13 2.515 -14.845 8.497 112 H ALA 14 HN ALA 14 0.472 -11.408 5.451 113 HA ALA 14 HA ALA 14 -2.125 -10.602 6.399 114 1HB ALA 14 HB3 ALA 14 -0.050 -9.121 6.046 115 2HB ALA 14 HB2 ALA 14 -0.518 -9.078 4.346 116 3HB ALA 14 HB1 ALA 14 -1.610 -8.442 5.580 117 H LEU 15 HN LEU 15 -0.848 -11.337 3.163 118 HA LEU 15 HA LEU 15 -3.214 -10.692 1.716 119 1HB LEU 15 HB2 LEU 15 -1.040 -12.740 1.200 120 2HB LEU 15 HB1 LEU 15 -2.287 -12.324 0.025 121 HG LEU 15 HG LEU 15 -0.440 -10.283 1.297 122 1HD1 LEU 15 HD13 LEU 15 -0.116 -11.955 -1.189 123 2HD1 LEU 15 HD12 LEU 15 0.606 -10.356 -1.089 124 3HD1 LEU 15 HD11 LEU 15 1.065 -11.598 0.072 125 1HD2 LEU 15 HD21 LEU 15 -2.534 -10.213 -0.874 126 2HD2 LEU 15 HD23 LEU 15 -2.230 -9.060 0.424 127 3HD2 LEU 15 HD22 LEU 15 -1.162 -9.109 -0.973 128 H ASP 16 HN ASP 16 -2.156 -13.618 3.398 129 HA ASP 16 HA ASP 16 -4.405 -15.221 2.585 130 1HB ASP 16 HB2 ASP 16 -2.180 -16.057 3.528 131 2HB ASP 16 HB1 ASP 16 -2.802 -15.609 5.119 132 H ALA 17 HN ALA 17 -3.802 -13.039 5.290 133 HA ALA 17 HA ALA 17 -6.145 -13.826 6.783 134 1HB ALA 17 HB3 ALA 17 -4.146 -12.636 7.739 135 2HB ALA 17 HB2 ALA 17 -4.694 -11.179 6.908 136 3HB ALA 17 HB1 ALA 17 -5.696 -11.909 8.164 137 H ALA 18 HN ALA 18 -5.500 -11.312 4.373 138 HA ALA 18 HA ALA 18 -7.995 -9.928 4.653 139 1HB ALA 18 HB1 ALA 18 -6.185 -10.257 2.242 140 2HB ALA 18 HB3 ALA 18 -7.543 -9.136 2.323 141 3HB ALA 18 HB2 ALA 18 -6.165 -8.925 3.399 142 H GLY 19 HN GLY 19 -7.046 -12.822 2.884 143 1HA GLY 19 HA2 GLY 19 -8.383 -14.470 1.883 144 2HA GLY 19 HA1 GLY 19 -9.769 -13.723 2.682 145 H ASP 20 HN ASP 20 -11.261 -13.157 1.216 146 HA ASP 20 HA ASP 20 -10.458 -12.488 -1.548 147 1HB ASP 20 HB2 ASP 20 -13.189 -12.807 -0.280 148 2HB ASP 20 HB1 ASP 20 -12.877 -12.580 -2.002 149 H LYS 21 HN LYS 21 -10.599 -10.737 1.195 150 HA LYS 21 HA LYS 21 -12.166 -8.450 0.284 151 1HB LYS 21 HB2 LYS 21 -10.145 -8.781 2.528 152 2HB LYS 21 HB1 LYS 21 -11.015 -7.278 2.212 153 1HG LYS 21 HG2 LYS 21 -13.163 -8.667 2.381 154 2HG LYS 21 HG1 LYS 21 -12.153 -9.942 3.063 155 1HD LYS 21 HD2 LYS 21 -11.382 -8.406 4.828 156 2HD LYS 21 HD1 LYS 21 -12.372 -7.113 4.143 157 1HE LYS 21 HE2 LYS 21 -13.583 -8.109 5.987 158 2HE LYS 21 HE1 LYS 21 -14.388 -8.563 4.483 159 1HZ LYS 21 HZ2 LYS 21 -12.289 -10.365 5.245 160 2HZ LYS 21 HZ1 LYS 21 -13.545 -10.290 6.390 161 3HZ LYS 21 HZ3 LYS 21 -13.888 -10.700 4.779 162 H LEU 22 HN LEU 22 -11.304 -6.448 -0.503 163 HA LEU 22 HA LEU 22 -9.088 -6.664 -2.266 164 1HB LEU 22 HB2 LEU 22 -11.104 -4.834 -1.829 165 2HB LEU 22 HB1 LEU 22 -9.722 -3.962 -1.207 166 HG LEU 22 HG LEU 22 -10.056 -5.082 -3.992 167 1HD1 LEU 22 HD12 LEU 22 -10.394 -2.404 -2.728 168 2HD1 LEU 22 HD11 LEU 22 -9.462 -2.392 -4.220 169 3HD1 LEU 22 HD13 LEU 22 -11.093 -3.054 -4.205 170 1HD2 LEU 22 HD21 LEU 22 -7.644 -3.890 -2.599 171 2HD2 LEU 22 HD23 LEU 22 -7.730 -5.364 -3.562 172 3HD2 LEU 22 HD22 LEU 22 -7.836 -3.801 -4.347 173 H VAL 23 HN VAL 23 -6.936 -5.594 -1.994 174 HA VAL 23 HA VAL 23 -6.156 -4.963 0.800 175 HB VAL 23 HB VAL 23 -4.751 -7.007 -0.954 176 1HG1 VAL 23 HG11 VAL 23 -3.960 -5.571 1.572 177 2HG1 VAL 23 HG13 VAL 23 -3.413 -7.225 1.317 178 3HG1 VAL 23 HG12 VAL 23 -2.981 -5.969 0.162 179 1HG2 VAL 23 HG21 VAL 23 -6.355 -7.205 1.600 180 2HG2 VAL 23 HG23 VAL 23 -6.629 -8.054 0.078 181 3HG2 VAL 23 HG22 VAL 23 -5.240 -8.467 1.086 182 H VAL 24 HN VAL 24 -5.328 -2.946 0.562 183 HA VAL 24 HA VAL 24 -3.850 -2.298 -1.945 184 HB VAL 24 HB VAL 24 -4.759 -0.428 0.274 185 1HG1 VAL 24 HG13 VAL 24 -2.859 0.301 -1.234 186 2HG1 VAL 24 HG12 VAL 24 -3.960 0.131 -2.597 187 3HG1 VAL 24 HG11 VAL 24 -4.294 1.317 -1.337 188 1HG2 VAL 24 HG21 VAL 24 -6.062 -1.304 -2.313 189 2HG2 VAL 24 HG23 VAL 24 -6.747 -1.347 -0.691 190 3HG2 VAL 24 HG22 VAL 24 -6.500 0.201 -1.497 191 H VAL 25 HN VAL 25 -1.651 -1.776 -1.867 192 HA VAL 25 HA VAL 25 -0.322 -1.944 0.828 193 HB VAL 25 HB VAL 25 0.764 -2.923 -1.817 194 1HG1 VAL 25 HG13 VAL 25 1.747 -3.172 1.034 195 2HG1 VAL 25 HG12 VAL 25 2.475 -3.978 -0.354 196 3HG1 VAL 25 HG11 VAL 25 2.500 -2.221 -0.243 197 1HG2 VAL 25 HG23 VAL 25 -1.185 -4.237 -0.952 198 2HG2 VAL 25 HG22 VAL 25 0.316 -5.161 -0.980 199 3HG2 VAL 25 HG21 VAL 25 -0.288 -4.509 0.539 200 H ASP 26 HN ASP 26 0.710 -0.121 1.349 201 HA ASP 26 HA ASP 26 1.476 1.820 -0.788 202 1HB ASP 26 HB2 ASP 26 0.110 2.584 1.172 203 2HB ASP 26 HB1 ASP 26 1.449 2.167 2.235 204 H PHE 27 HN PHE 27 3.593 1.793 -1.452 205 HA PHE 27 HA PHE 27 5.678 0.587 0.310 206 1HB PHE 27 HB2 PHE 27 5.618 1.285 -2.627 207 2HB PHE 27 HB1 PHE 27 7.124 0.892 -1.802 208 HD1 PHE 27 HD1 PHE 27 7.432 -1.325 -0.744 209 HD2 PHE 27 HD2 PHE 27 4.014 -0.415 -3.177 210 HE1 PHE 27 HE1 PHE 27 6.969 -3.744 -0.992 211 HE2 PHE 27 HE2 PHE 27 3.549 -2.835 -3.410 212 HZ PHE 27 HZ PHE 27 5.023 -4.504 -2.330 213 H SER 28 HN SER 28 4.478 3.347 0.681 214 HA SER 28 HA SER 28 6.310 5.331 -0.169 215 1HB SER 28 HB2 SER 28 4.692 5.257 2.390 216 2HB SER 28 HB1 SER 28 5.451 6.687 1.712 217 HG SER 28 HG SER 28 3.189 6.398 1.161 218 H ALA 29 HN ALA 29 8.187 6.166 0.701 219 HA ALA 29 HA ALA 29 9.676 4.395 2.508 220 1HB ALA 29 HB1 ALA 29 10.315 6.804 0.841 221 2HB ALA 29 HB3 ALA 29 11.345 6.490 2.236 222 3HB ALA 29 HB2 ALA 29 11.185 5.281 0.965 223 H THR 30 HN THR 30 9.718 4.703 4.699 224 HA THR 30 HA THR 30 8.117 6.775 5.885 225 HB THR 30 HB THR 30 8.564 4.634 7.051 226 HG1 THR 30 HG1 THR 30 8.218 6.696 8.194 227 1HG2 THR 30 HG23 THR 30 10.938 4.476 6.195 228 2HG2 THR 30 HG22 THR 30 11.384 5.673 7.419 229 3HG2 THR 30 HG21 THR 30 10.744 4.101 7.911 230 H TRP 31 HN TRP 31 11.552 6.458 5.094 231 HA TRP 31 HA TRP 31 12.345 8.809 6.614 232 1HB TRP 31 HB2 TRP 31 14.442 8.683 5.360 233 2HB TRP 31 HB1 TRP 31 13.973 7.080 5.938 234 HD1 TRP 31 HD1 TRP 31 13.451 5.264 4.206 235 HE1 TRP 31 HE1 TRP 31 13.586 5.122 1.643 236 HE3 TRP 31 HE3 TRP 31 14.047 10.201 3.089 237 HZ2 TRP 31 HZ2 TRP 31 13.863 6.868 -0.590 238 HZ3 TRP 31 HZ3 TRP 31 14.223 10.934 0.728 239 HH2 TRP 31 HH2 TRP 31 14.140 9.274 -1.108 240 H CYS 32 HN CYS 32 10.830 8.374 3.513 241 HA CYS 32 HA CYS 32 11.693 11.036 2.574 242 1HB CYS 32 HB2 CYS 32 11.243 8.975 1.071 243 2HB CYS 32 HB1 CYS 32 9.538 9.325 1.316 244 H GLY 33 HN GLY 33 10.762 12.788 3.385 245 1HA GLY 33 HA2 GLY 33 8.508 12.799 5.102 246 2HA GLY 33 HA1 GLY 33 9.204 14.229 4.353 247 HA PRO 34 HA PRO 34 5.994 14.735 1.377 248 1HB PRO 34 HB2 PRO 34 7.350 13.229 -0.812 249 2HB PRO 34 HB1 PRO 34 6.758 14.899 -0.798 250 1HG PRO 34 HG2 PRO 34 9.402 14.314 -0.671 251 2HG PRO 34 HG1 PRO 34 8.712 15.728 0.139 252 1HD PRO 34 HD2 PRO 34 9.689 13.180 1.329 253 2HD PRO 34 HD1 PRO 34 9.594 14.802 2.067 254 H ALA 35 HN ALA 35 7.335 11.453 1.242 255 HA ALA 35 HA ALA 35 4.844 10.250 0.348 256 1HB ALA 35 HB3 ALA 35 7.413 9.443 0.255 257 2HB ALA 35 HB2 ALA 35 6.917 8.589 1.715 258 3HB ALA 35 HB1 ALA 35 6.070 8.307 0.193 259 H LYS 36 HN LYS 36 6.606 10.197 3.469 260 HA LYS 36 HA LYS 36 4.591 8.784 4.907 261 1HB LYS 36 HB2 LYS 36 6.943 9.226 5.706 262 2HB LYS 36 HB1 LYS 36 6.453 10.889 6.051 263 1HG LYS 36 HG2 LYS 36 4.587 9.929 7.483 264 2HG LYS 36 HG1 LYS 36 5.345 8.348 7.285 265 1HD LYS 36 HD2 LYS 36 7.451 9.274 8.245 266 2HD LYS 36 HD1 LYS 36 6.622 10.810 8.515 267 1HE LYS 36 HE2 LYS 36 4.976 9.669 9.959 268 2HE LYS 36 HE1 LYS 36 5.812 8.140 9.703 269 1HZ LYS 36 HZ1 LYS 36 7.702 10.037 10.484 270 2HZ LYS 36 HZ3 LYS 36 6.400 10.147 11.565 271 3HZ LYS 36 HZ2 LYS 36 7.187 8.658 11.334 272 H MET 37 HN MET 37 5.008 12.211 4.203 273 HA MET 37 HA MET 37 3.015 13.269 5.929 274 1HB MET 37 HB2 MET 37 4.712 14.586 4.596 275 2HB MET 37 HB1 MET 37 3.731 14.285 3.166 276 1HG MET 37 HG2 MET 37 2.519 15.520 5.642 277 2HG MET 37 HG1 MET 37 3.347 16.512 4.445 278 1HE MET 37 HE1 MET 37 2.948 16.024 1.860 279 2HE MET 37 HE3 MET 37 1.316 16.454 1.336 280 3HE MET 37 HE2 MET 37 2.198 17.506 2.440 281 H ILE 38 HN ILE 38 2.798 11.627 2.862 282 HA ILE 38 HA ILE 38 0.024 12.350 2.347 283 HB ILE 38 HB ILE 38 1.893 10.305 1.102 284 1HG1 ILE 38 HG12 ILE 38 0.705 12.823 -0.094 285 2HG1 ILE 38 HG11 ILE 38 2.226 12.839 0.792 286 1HG2 ILE 38 HG21 ILE 38 -1.019 10.893 0.596 287 2HG2 ILE 38 HG23 ILE 38 0.018 10.415 -0.747 288 3HG2 ILE 38 HG22 ILE 38 -0.189 9.340 0.627 289 1HD1 ILE 38 HD13 ILE 38 2.981 10.965 -0.795 290 2HD1 ILE 38 HD12 ILE 38 1.584 11.388 -1.775 291 3HD1 ILE 38 HD11 ILE 38 2.850 12.575 -1.483 292 H LYS 39 HN LYS 39 1.370 10.280 4.619 293 HA LYS 39 HA LYS 39 -0.232 7.971 4.259 294 1HB LYS 39 HB2 LYS 39 0.342 7.241 6.407 295 2HB LYS 39 HB1 LYS 39 1.742 8.122 5.830 296 1HG LYS 39 HG2 LYS 39 1.279 9.980 7.258 297 2HG LYS 39 HG1 LYS 39 -0.355 9.426 7.611 298 1HD LYS 39 HD2 LYS 39 2.191 8.002 8.421 299 2HD LYS 39 HD1 LYS 39 1.214 9.015 9.480 300 1HE LYS 39 HE2 LYS 39 0.222 7.012 10.023 301 2HE LYS 39 HE1 LYS 39 -0.707 7.306 8.555 302 1HZ LYS 39 HZ1 LYS 39 1.475 6.193 7.532 303 2HZ LYS 39 HZ3 LYS 39 1.443 5.415 9.044 304 3HZ LYS 39 HZ2 LYS 39 0.102 5.301 7.999 305 HA PRO 40 HA PRO 40 -3.443 10.043 7.313 306 1HB PRO 40 HB2 PRO 40 -3.769 12.570 5.770 307 2HB PRO 40 HB1 PRO 40 -3.798 12.314 7.525 308 1HG PRO 40 HG2 PRO 40 -1.710 13.504 6.338 309 2HG PRO 40 HG1 PRO 40 -1.472 12.394 7.706 310 1HD PRO 40 HD2 PRO 40 -1.030 11.911 4.787 311 2HD PRO 40 HD1 PRO 40 -0.079 11.319 6.167 312 H PHE 41 HN PHE 41 -3.417 10.803 3.788 313 HA PHE 41 HA PHE 41 -6.260 10.307 3.517 314 1HB PHE 41 HB2 PHE 41 -4.003 10.190 1.485 315 2HB PHE 41 HB1 PHE 41 -5.712 10.043 1.092 316 HD1 PHE 41 HD2 PHE 41 -3.276 12.334 2.778 317 HD2 PHE 41 HD1 PHE 41 -7.028 11.927 0.719 318 HE1 PHE 41 HE2 PHE 41 -3.522 14.806 2.733 319 HE2 PHE 41 HE1 PHE 41 -7.271 14.388 0.678 320 HZ PHE 41 HZ PHE 41 -5.523 15.830 1.681 321 H PHE 42 HN PHE 42 -3.358 8.363 2.847 322 HA PHE 42 HA PHE 42 -4.692 5.981 2.040 323 1HB PHE 42 HB2 PHE 42 -2.313 6.369 1.653 324 2HB PHE 42 HB1 PHE 42 -1.998 6.390 3.389 325 HD1 PHE 42 HD1 PHE 42 -3.144 4.282 0.570 326 HD2 PHE 42 HD2 PHE 42 -1.753 4.353 4.630 327 HE1 PHE 42 HE1 PHE 42 -2.928 1.821 0.534 328 HE2 PHE 42 HE2 PHE 42 -1.531 1.880 4.597 329 HZ PHE 42 HZ PHE 42 -2.121 0.613 2.545 330 H HIS 43 HN HIS 43 -3.398 6.897 5.225 331 HA HIS 43 HA HIS 43 -4.420 4.603 6.615 332 1HB HIS 43 HB2 HIS 43 -2.530 5.941 7.425 333 2HB HIS 43 HB1 HIS 43 -3.577 7.344 7.622 334 HD1 HIS 43 HD1 HIS 43 -2.574 4.151 9.255 335 HD2 HIS 43 HD2 HIS 43 -5.442 7.118 9.790 336 HE1 HIS 43 HE1 HIS 43 -3.641 3.715 11.515 337 H SER 44 HN SER 44 -5.717 7.910 6.145 338 HA SER 44 HA SER 44 -7.975 7.658 7.872 339 1HB SER 44 HB2 SER 44 -7.671 9.295 5.339 340 2HB SER 44 HB1 SER 44 -9.013 9.445 6.465 341 HG SER 44 HG SER 44 -6.405 9.565 7.476 342 H LEU 45 HN LEU 45 -7.553 6.765 4.465 343 HA LEU 45 HA LEU 45 -10.286 6.174 3.913 344 1HB LEU 45 HB2 LEU 45 -7.724 5.140 2.720 345 2HB LEU 45 HB1 LEU 45 -9.306 4.721 2.078 346 HG LEU 45 HG LEU 45 -8.539 7.617 2.512 347 1HD1 LEU 45 HD12 LEU 45 -7.873 5.863 0.134 348 2HD1 LEU 45 HD11 LEU 45 -7.932 7.624 0.047 349 3HD1 LEU 45 HD13 LEU 45 -6.762 6.831 1.106 350 1HD2 LEU 45 HD23 LEU 45 -10.564 6.124 0.827 351 2HD2 LEU 45 HD22 LEU 45 -10.843 7.366 2.046 352 3HD2 LEU 45 HD21 LEU 45 -10.134 7.801 0.496 353 H SER 46 HN SER 46 -7.917 4.403 5.718 354 HA SER 46 HA SER 46 -8.894 1.779 5.372 355 1HB SER 46 HB2 SER 46 -7.865 3.036 7.931 356 2HB SER 46 HB1 SER 46 -8.010 1.310 7.629 357 HG SER 46 HG SER 46 -6.135 3.125 6.744 358 H GLU 47 HN GLU 47 -10.124 4.457 7.310 359 HA GLU 47 HA GLU 47 -12.246 2.762 8.469 360 1HB GLU 47 HB2 GLU 47 -11.640 5.734 8.667 361 2HB GLU 47 HB1 GLU 47 -13.017 4.962 9.449 362 1HG GLU 47 HG2 GLU 47 -11.283 5.039 11.097 363 2HG GLU 47 HG1 GLU 47 -11.360 3.367 10.543 364 H LYS 48 HN LYS 48 -11.789 4.766 5.657 365 HA LYS 48 HA LYS 48 -14.634 5.350 5.285 366 1HB LYS 48 HB2 LYS 48 -12.824 6.752 4.242 367 2HB LYS 48 HB1 LYS 48 -12.429 5.387 3.195 368 1HG LYS 48 HG2 LYS 48 -14.796 5.377 2.373 369 2HG LYS 48 HG1 LYS 48 -15.101 6.825 3.328 370 1HD LYS 48 HD2 LYS 48 -12.896 6.707 1.267 371 2HD LYS 48 HD1 LYS 48 -14.539 7.156 0.840 372 1HE LYS 48 HE2 LYS 48 -14.455 8.970 2.561 373 2HE LYS 48 HE1 LYS 48 -12.763 8.570 2.858 374 1HZ LYS 48 HZ3 LYS 48 -12.998 8.830 0.127 375 2HZ LYS 48 HZ2 LYS 48 -13.896 10.125 0.772 376 3HZ LYS 48 HZ1 LYS 48 -12.262 9.924 1.197 377 H TYR 49 HN TYR 49 -12.284 2.954 4.213 378 HA TYR 49 HA TYR 49 -14.568 1.276 3.184 379 1HB TYR 49 HB2 TYR 49 -11.718 1.395 2.119 380 2HB TYR 49 HB1 TYR 49 -12.951 0.255 1.591 381 HD1 TYR 49 HD2 TYR 49 -15.178 1.234 0.702 382 HD2 TYR 49 HD1 TYR 49 -11.563 3.521 1.102 383 HE1 TYR 49 HE2 TYR 49 -16.075 2.924 -0.871 384 HE2 TYR 49 HE1 TYR 49 -12.462 5.211 -0.476 385 HH TYR 49 HH TYR 49 -14.456 5.968 -1.430 386 H SER 50 HN SER 50 -14.404 0.864 5.610 387 HA SER 50 HA SER 50 -12.215 -0.583 6.721 388 1HB SER 50 HB2 SER 50 -13.720 -1.066 8.538 389 2HB SER 50 HB1 SER 50 -14.077 0.562 7.978 390 HG SER 50 HG SER 50 -15.755 -1.412 8.195 391 H ASN 51 HN ASN 51 -14.369 -1.439 4.298 392 HA ASN 51 HA ASN 51 -14.335 -4.338 4.910 393 1HB ASN 51 HB2 ASN 51 -16.358 -3.145 3.891 394 2HB ASN 51 HB1 ASN 51 -15.407 -2.998 2.417 395 1HD2 ASN 51 HD22 ASN 51 -16.020 -6.313 1.426 396 2HD2 ASN 51 HD21 ASN 51 -15.419 -4.779 1.022 397 H VAL 52 HN VAL 52 -12.101 -2.312 3.981 398 HA VAL 52 HA VAL 52 -10.837 -4.211 2.059 399 HB VAL 52 HB VAL 52 -10.860 -1.181 1.933 400 1HG1 VAL 52 HG11 VAL 52 -8.931 -3.197 0.814 401 2HG1 VAL 52 HG13 VAL 52 -9.363 -1.814 -0.196 402 3HG1 VAL 52 HG12 VAL 52 -8.632 -1.561 1.387 403 1HG2 VAL 52 HG23 VAL 52 -11.733 -3.404 0.060 404 2HG2 VAL 52 HG22 VAL 52 -12.754 -2.187 0.822 405 3HG2 VAL 52 HG21 VAL 52 -11.606 -1.716 -0.433 406 H ILE 53 HN ILE 53 -8.659 -4.626 2.506 407 HA ILE 53 HA ILE 53 -7.744 -3.618 5.167 408 HB ILE 53 HB ILE 53 -6.507 -5.779 3.435 409 1HG1 ILE 53 HG12 ILE 53 -8.805 -6.442 3.846 410 2HG1 ILE 53 HG11 ILE 53 -7.774 -7.359 4.943 411 1HG2 ILE 53 HG23 ILE 53 -5.264 -4.671 5.421 412 2HG2 ILE 53 HG22 ILE 53 -6.425 -5.508 6.444 413 3HG2 ILE 53 HG21 ILE 53 -5.354 -6.430 5.391 414 1HD1 ILE 53 HD11 ILE 53 -8.248 -5.411 6.627 415 2HD1 ILE 53 HD13 ILE 53 -9.610 -5.057 5.567 416 3HD1 ILE 53 HD12 ILE 53 -9.497 -6.625 6.357 417 H PHE 54 HN PHE 54 -6.296 -1.953 5.198 418 HA PHE 54 HA PHE 54 -4.692 -1.343 2.744 419 1HB PHE 54 HB2 PHE 54 -5.337 0.274 5.232 420 2HB PHE 54 HB1 PHE 54 -4.256 0.832 3.956 421 HD1 PHE 54 HD1 PHE 54 -7.743 -0.420 4.531 422 HD2 PHE 54 HD2 PHE 54 -5.138 1.944 2.072 423 HE1 PHE 54 HE1 PHE 54 -9.702 0.436 3.266 424 HE2 PHE 54 HE2 PHE 54 -7.092 2.786 0.805 425 HZ PHE 54 HZ PHE 54 -9.372 2.031 1.405 426 H LEU 55 HN LEU 55 -2.526 -1.946 2.785 427 HA LEU 55 HA LEU 55 -1.240 -2.482 5.443 428 1HB LEU 55 HB2 LEU 55 -0.674 -3.598 2.681 429 2HB LEU 55 HB1 LEU 55 0.474 -3.760 4.011 430 HG LEU 55 HG LEU 55 -0.950 -5.184 5.233 431 1HD1 LEU 55 HD11 LEU 55 -3.198 -4.160 3.491 432 2HD1 LEU 55 HD13 LEU 55 -3.352 -5.589 4.509 433 3HD1 LEU 55 HD12 LEU 55 -3.024 -4.029 5.245 434 1HD2 LEU 55 HD23 LEU 55 -0.074 -6.224 3.137 435 2HD2 LEU 55 HD22 LEU 55 -1.570 -6.963 3.710 436 3HD2 LEU 55 HD21 LEU 55 -1.606 -5.840 2.352 437 H GLU 56 HN GLU 56 0.780 -1.574 5.877 438 HA GLU 56 HA GLU 56 1.694 0.555 3.963 439 1HB GLU 56 HB2 GLU 56 0.924 1.356 6.250 440 2HB GLU 56 HB1 GLU 56 2.244 0.414 6.945 441 1HG GLU 56 HG2 GLU 56 3.838 1.674 5.454 442 2HG GLU 56 HG1 GLU 56 2.488 2.707 4.975 443 H VAL 57 HN VAL 57 3.682 0.203 3.110 444 HA VAL 57 HA VAL 57 5.454 -1.845 4.407 445 HB VAL 57 HB VAL 57 4.953 -1.343 1.465 446 1HG1 VAL 57 HG13 VAL 57 6.939 -3.088 2.934 447 2HG1 VAL 57 HG12 VAL 57 6.464 -3.399 1.265 448 3HG1 VAL 57 HG11 VAL 57 7.268 -1.887 1.685 449 1HG2 VAL 57 HG21 VAL 57 3.226 -2.651 2.768 450 2HG2 VAL 57 HG23 VAL 57 4.003 -3.567 1.477 451 3HG2 VAL 57 HG22 VAL 57 4.490 -3.821 3.152 452 H ASP 58 HN ASP 58 7.494 -1.197 4.785 453 HA ASP 58 HA ASP 58 8.362 1.513 3.892 454 1HB ASP 58 HB2 ASP 58 8.498 0.708 6.316 455 2HB ASP 58 HB1 ASP 58 9.748 -0.412 5.764 456 H VAL 59 HN VAL 59 9.609 1.554 2.016 457 HA VAL 59 HA VAL 59 10.699 -0.869 0.882 458 HB VAL 59 HB VAL 59 11.933 0.641 -0.641 459 1HG1 VAL 59 HG11 VAL 59 9.069 1.405 -0.045 460 2HG1 VAL 59 HG13 VAL 59 9.926 1.900 -1.502 461 3HG1 VAL 59 HG12 VAL 59 9.628 0.191 -1.187 462 1HG2 VAL 59 HG23 VAL 59 11.036 2.727 1.348 463 2HG2 VAL 59 HG22 VAL 59 12.662 2.416 0.745 464 3HG2 VAL 59 HG21 VAL 59 11.457 3.151 -0.310 465 H ASP 60 HN ASP 60 11.717 1.313 3.351 466 HA ASP 60 HA ASP 60 14.558 0.486 3.142 467 1HB ASP 60 HB2 ASP 60 13.033 2.523 4.743 468 2HB ASP 60 HB1 ASP 60 14.658 2.070 5.210 469 H ASP 61 HN ASP 61 11.843 0.056 5.506 470 HA ASP 61 HA ASP 61 13.646 -1.729 7.101 471 1HB ASP 61 HB2 ASP 61 10.821 -0.776 7.692 472 2HB ASP 61 HB1 ASP 61 11.777 -1.820 8.734 473 H ALA 62 HN ALA 62 11.124 -1.793 4.787 474 HA ALA 62 HA ALA 62 10.896 -4.766 5.073 475 1HB ALA 62 HB3 ALA 62 8.817 -2.702 4.310 476 2HB ALA 62 HB2 ALA 62 8.649 -4.392 3.853 477 3HB ALA 62 HB1 ALA 62 8.721 -3.944 5.554 478 H GLN 63 HN GLN 63 12.953 -3.476 3.660 479 HA GLN 63 HA GLN 63 12.436 -3.002 0.911 480 1HB GLN 63 HB2 GLN 63 14.823 -3.281 0.574 481 2HB GLN 63 HB1 GLN 63 14.584 -2.482 2.131 482 1HG GLN 63 HG2 GLN 63 14.689 -4.765 3.213 483 2HG GLN 63 HG1 GLN 63 15.203 -5.402 1.651 484 1HE2 GLN 63 HE22 GLN 63 18.528 -4.645 2.491 485 2HE2 GLN 63 HE21 GLN 63 17.417 -5.795 1.927 486 H ASP 64 HN ASP 64 12.525 -5.987 2.683 487 HA ASP 64 HA ASP 64 13.226 -7.758 0.564 488 1HB ASP 64 HB2 ASP 64 11.910 -9.456 1.917 489 2HB ASP 64 HB1 ASP 64 13.165 -8.615 2.818 490 H VAL 65 HN VAL 65 10.129 -6.325 1.531 491 HA VAL 65 HA VAL 65 8.610 -7.858 -0.400 492 HB VAL 65 HB VAL 65 7.868 -5.201 0.854 493 1HG1 VAL 65 HG13 VAL 65 6.462 -6.027 -1.030 494 2HG1 VAL 65 HG12 VAL 65 6.185 -7.522 -0.142 495 3HG1 VAL 65 HG11 VAL 65 5.583 -5.990 0.492 496 1HG2 VAL 65 HG21 VAL 65 7.947 -7.976 1.990 497 2HG2 VAL 65 HG23 VAL 65 8.249 -6.435 2.783 498 3HG2 VAL 65 HG22 VAL 65 6.601 -6.946 2.443 499 H ALA 66 HN ALA 66 9.889 -4.541 -0.278 500 HA ALA 66 HA ALA 66 8.828 -3.827 -2.841 501 1HB ALA 66 HB2 ALA 66 9.866 -2.405 -0.799 502 2HB ALA 66 HB1 ALA 66 11.268 -2.419 -1.869 503 3HB ALA 66 HB3 ALA 66 9.730 -1.762 -2.439 504 H SER 67 HN SER 67 11.974 -5.129 -1.823 505 HA SER 67 HA SER 67 13.294 -4.853 -4.342 506 1HB SER 67 HB2 SER 67 14.809 -6.592 -3.508 507 2HB SER 67 HB1 SER 67 14.417 -5.483 -2.200 508 HG SER 67 HG SER 67 13.327 -7.013 -1.223 509 H GLU 68 HN GLU 68 11.097 -7.306 -3.061 510 HA GLU 68 HA GLU 68 11.367 -9.206 -5.184 511 1HB GLU 68 HB2 GLU 68 10.252 -9.695 -3.018 512 2HB GLU 68 HB1 GLU 68 8.939 -8.603 -3.458 513 1HG GLU 68 HG2 GLU 68 8.485 -10.034 -5.467 514 2HG GLU 68 HG1 GLU 68 9.729 -11.152 -4.909 515 H ALA 69 HN ALA 69 9.290 -6.350 -4.778 516 HA ALA 69 HA ALA 69 7.955 -6.839 -7.348 517 1HB ALA 69 HB3 ALA 69 7.771 -4.610 -5.320 518 2HB ALA 69 HB2 ALA 69 6.868 -4.610 -6.832 519 3HB ALA 69 HB1 ALA 69 6.583 -5.875 -5.637 520 H GLU 70 HN GLU 70 10.949 -5.634 -6.590 521 HA GLU 70 HA GLU 70 12.433 -4.208 -7.723 522 1HB GLU 70 HB2 GLU 70 10.573 -4.970 -9.992 523 2HB GLU 70 HB1 GLU 70 12.066 -4.062 -10.216 524 1HG GLU 70 HG2 GLU 70 12.615 -6.347 -10.622 525 2HG GLU 70 HG1 GLU 70 13.260 -5.961 -9.027 526 H VAL 71 HN VAL 71 10.660 -2.729 -6.245 527 HA VAL 71 HA VAL 71 9.099 -0.871 -7.782 528 HB VAL 71 HB VAL 71 10.383 -0.420 -5.069 529 1HG1 VAL 71 HG13 VAL 71 8.047 0.849 -6.531 530 2HG1 VAL 71 HG12 VAL 71 8.376 1.101 -4.820 531 3HG1 VAL 71 HG11 VAL 71 9.542 1.637 -6.034 532 1HG2 VAL 71 HG23 VAL 71 7.716 -1.660 -5.859 533 2HG2 VAL 71 HG22 VAL 71 9.057 -2.485 -5.062 534 3HG2 VAL 71 HG21 VAL 71 8.163 -1.226 -4.209 535 H LYS 72 HN LYS 72 9.712 0.927 -8.882 536 HA LYS 72 HA LYS 72 12.600 1.642 -8.861 537 1HB LYS 72 HB2 LYS 72 10.397 2.211 -10.852 538 2HB LYS 72 HB1 LYS 72 12.069 2.753 -11.023 539 1HG LYS 72 HG2 LYS 72 12.686 0.235 -10.717 540 2HG LYS 72 HG1 LYS 72 10.992 -0.075 -11.090 541 1HD LYS 72 HD2 LYS 72 11.260 1.230 -13.201 542 2HD LYS 72 HD1 LYS 72 12.977 1.409 -12.840 543 1HE LYS 72 HE2 LYS 72 13.271 -1.016 -12.875 544 2HE LYS 72 HE1 LYS 72 11.537 -1.244 -13.134 545 1HZ LYS 72 HZ3 LYS 72 12.523 0.556 -15.049 546 2HZ LYS 72 HZ2 LYS 72 13.518 -0.823 -15.049 547 3HZ LYS 72 HZ1 LYS 72 11.840 -0.979 -15.292 548 H ALA 73 HN ALA 73 9.643 2.797 -7.603 549 HA ALA 73 HA ALA 73 10.919 5.298 -6.811 550 1HB ALA 73 HB2 ALA 73 9.091 5.215 -9.131 551 2HB ALA 73 HB1 ALA 73 8.731 6.483 -7.965 552 3HB ALA 73 HB3 ALA 73 10.324 6.405 -8.720 553 H THR 74 HN THR 74 9.642 6.527 -5.266 554 HA THR 74 HA THR 74 7.214 5.134 -4.202 555 HB THR 74 HB THR 74 7.977 5.508 -1.922 556 HG1 THR 74 HG1 THR 74 10.036 6.537 -1.624 557 1HG2 THR 74 HG21 THR 74 10.284 4.505 -3.581 558 2HG2 THR 74 HG23 THR 74 10.071 4.237 -1.852 559 3HG2 THR 74 HG22 THR 74 8.932 3.535 -3.001 560 HA PRO 75 HA PRO 75 5.826 5.762 -2.382 561 1HB PRO 75 HB2 PRO 75 3.246 6.763 -2.404 562 2HB PRO 75 HB1 PRO 75 4.479 7.207 -1.221 563 1HG PRO 75 HG2 PRO 75 3.432 8.785 -3.507 564 2HG PRO 75 HG1 PRO 75 4.155 9.341 -1.995 565 1HD PRO 75 HD2 PRO 75 5.435 9.246 -4.529 566 2HD PRO 75 HD1 PRO 75 6.239 9.514 -2.955 567 H THR 76 HN THR 76 4.807 3.884 -3.086 568 HA THR 76 HA THR 76 3.421 3.958 -5.743 569 HB THR 76 HB THR 76 5.367 1.832 -4.811 570 HG1 THR 76 HG1 THR 76 5.898 2.949 -7.172 571 1HG2 THR 76 HG21 THR 76 3.596 2.056 -7.234 572 2HG2 THR 76 HG23 THR 76 4.976 0.960 -7.160 573 3HG2 THR 76 HG22 THR 76 3.625 0.759 -6.041 574 H PHE 77 HN PHE 77 1.551 2.929 -5.766 575 HA PHE 77 HA PHE 77 0.707 1.429 -3.318 576 1HB PHE 77 HB2 PHE 77 -0.939 2.891 -5.402 577 2HB PHE 77 HB1 PHE 77 -1.588 2.065 -3.983 578 HD1 PHE 77 HD1 PHE 77 -1.193 2.946 -1.716 579 HD2 PHE 77 HD2 PHE 77 0.268 5.010 -5.196 580 HE1 PHE 77 HE1 PHE 77 -0.774 4.968 -0.341 581 HE2 PHE 77 HE2 PHE 77 0.687 7.034 -3.813 582 HZ PHE 77 HZ PHE 77 0.168 7.012 -1.386 583 H GLN 78 HN GLN 78 0.250 -0.709 -3.555 584 HA GLN 78 HA GLN 78 -0.231 -1.769 -6.327 585 1HB GLN 78 HB2 GLN 78 1.329 -3.014 -4.053 586 2HB GLN 78 HB1 GLN 78 0.816 -3.908 -5.483 587 1HG GLN 78 HG2 GLN 78 2.030 -2.173 -6.872 588 2HG GLN 78 HG1 GLN 78 2.692 -1.529 -5.372 589 1HE2 GLN 78 HE22 GLN 78 5.367 -3.796 -5.847 590 2HE2 GLN 78 HE21 GLN 78 4.885 -2.170 -5.795 591 H PHE 79 HN PHE 79 -1.920 -3.165 -6.530 592 HA PHE 79 HA PHE 79 -3.646 -3.520 -4.103 593 1HB PHE 79 HB2 PHE 79 -4.294 -3.515 -7.059 594 2HB PHE 79 HB1 PHE 79 -5.465 -3.848 -5.780 595 HD1 PHE 79 HD2 PHE 79 -3.100 -1.319 -7.096 596 HD2 PHE 79 HD1 PHE 79 -6.388 -2.070 -4.462 597 HE1 PHE 79 HE2 PHE 79 -3.337 1.107 -6.693 598 HE2 PHE 79 HE1 PHE 79 -6.636 0.356 -4.054 599 HZ PHE 79 HZ PHE 79 -5.109 1.954 -5.176 600 H PHE 80 HN PHE 80 -4.049 -5.518 -3.377 601 HA PHE 80 HA PHE 80 -3.391 -7.851 -5.121 602 1HB PHE 80 HB2 PHE 80 -2.811 -7.458 -2.186 603 2HB PHE 80 HB1 PHE 80 -2.784 -9.036 -2.965 604 HD1 PHE 80 HD2 PHE 80 -1.110 -5.725 -2.756 605 HD2 PHE 80 HD1 PHE 80 -1.070 -9.634 -4.568 606 HE1 PHE 80 HE2 PHE 80 1.214 -5.350 -3.536 607 HE2 PHE 80 HE1 PHE 80 1.253 -9.245 -5.344 608 HZ PHE 80 HZ PHE 80 2.395 -7.105 -4.827 609 H LYS 81 HN LYS 81 -4.827 -9.607 -4.990 610 HA LYS 81 HA LYS 81 -7.094 -9.436 -3.073 611 1HB LYS 81 HB2 LYS 81 -7.612 -8.226 -5.330 612 2HB LYS 81 HB1 LYS 81 -7.650 -9.847 -6.021 613 1HG LYS 81 HG2 LYS 81 -9.340 -10.463 -4.246 614 2HG LYS 81 HG1 LYS 81 -9.391 -8.762 -3.790 615 1HD LYS 81 HD2 LYS 81 -9.934 -8.244 -6.211 616 2HD LYS 81 HD1 LYS 81 -10.153 -9.974 -6.454 617 1HE LYS 81 HE2 LYS 81 -11.921 -10.038 -4.790 618 2HE LYS 81 HE1 LYS 81 -11.637 -8.341 -4.372 619 1HZ LYS 81 HZ3 LYS 81 -12.057 -7.939 -6.855 620 2HZ LYS 81 HZ2 LYS 81 -12.782 -9.476 -6.844 621 3HZ LYS 81 HZ1 LYS 81 -13.393 -8.239 -5.855 622 H LYS 82 HN LYS 82 -7.418 -11.471 -2.302 623 HA LYS 82 HA LYS 82 -7.218 -13.796 -2.061 624 1HB LYS 82 HB2 LYS 82 -7.290 -13.759 -5.100 625 2HB LYS 82 HB1 LYS 82 -7.507 -15.178 -4.079 626 1HG LYS 82 HG2 LYS 82 -9.440 -14.004 -2.991 627 2HG LYS 82 HG1 LYS 82 -9.293 -12.751 -4.214 628 1HD LYS 82 HD2 LYS 82 -9.539 -14.490 -5.978 629 2HD LYS 82 HD1 LYS 82 -9.809 -15.685 -4.710 630 1HE LYS 82 HE2 LYS 82 -11.978 -14.992 -5.453 631 2HE LYS 82 HE1 LYS 82 -11.716 -14.215 -3.895 632 1HZ LYS 82 HZ2 LYS 82 -10.933 -12.808 -6.356 633 2HZ LYS 82 HZ1 LYS 82 -12.571 -12.848 -5.913 634 3HZ LYS 82 HZ3 LYS 82 -11.427 -12.172 -4.859 635 H GLY 83 HN GLY 83 -4.868 -11.954 -2.510 636 1HA GLY 83 HA2 GLY 83 -2.555 -12.344 -2.282 637 2HA GLY 83 HA1 GLY 83 -2.831 -14.046 -2.643 638 H GLN 84 HN GLN 84 -4.285 -11.855 -4.849 639 HA GLN 84 HA GLN 84 -2.098 -12.370 -6.838 640 1HB GLN 84 HB2 GLN 84 -5.064 -11.961 -7.348 641 2HB GLN 84 HB1 GLN 84 -3.843 -12.295 -8.569 642 1HG GLN 84 HG2 GLN 84 -4.522 -14.156 -6.272 643 2HG GLN 84 HG1 GLN 84 -5.142 -14.328 -7.911 644 1HE2 GLN 84 HE22 GLN 84 -1.181 -15.147 -7.192 645 2HE2 GLN 84 HE21 GLN 84 -2.040 -14.145 -6.122 646 H LYS 85 HN LYS 85 -1.274 -10.608 -7.951 647 HA LYS 85 HA LYS 85 -2.053 -7.923 -7.006 648 1HB LYS 85 HB2 LYS 85 0.331 -8.527 -7.479 649 2HB LYS 85 HB1 LYS 85 -0.096 -8.723 -9.179 650 1HG LYS 85 HG2 LYS 85 -0.812 -6.378 -9.296 651 2HG LYS 85 HG1 LYS 85 -0.473 -6.175 -7.579 652 1HD LYS 85 HD2 LYS 85 1.427 -5.293 -8.741 653 2HD LYS 85 HD1 LYS 85 1.926 -6.851 -8.085 654 1HE LYS 85 HE2 LYS 85 1.771 -7.915 -10.209 655 2HE LYS 85 HE1 LYS 85 0.845 -6.577 -10.901 656 1HZ LYS 85 HZ1 LYS 85 3.601 -6.240 -9.884 657 2HZ LYS 85 HZ3 LYS 85 3.283 -6.716 -11.481 658 3HZ LYS 85 HZ2 LYS 85 2.725 -5.215 -10.916 659 H VAL 86 HN VAL 86 -3.685 -6.830 -7.958 660 HA VAL 86 HA VAL 86 -4.366 -7.453 -10.811 661 HB VAL 86 HB VAL 86 -6.719 -6.863 -10.164 662 1HG1 VAL 86 HG12 VAL 86 -5.767 -9.246 -10.143 663 2HG1 VAL 86 HG11 VAL 86 -5.607 -9.070 -8.397 664 3HG1 VAL 86 HG13 VAL 86 -7.197 -8.986 -9.151 665 1HG2 VAL 86 HG22 VAL 86 -6.107 -5.488 -8.189 666 2HG2 VAL 86 HG21 VAL 86 -7.253 -6.760 -7.761 667 3HG2 VAL 86 HG23 VAL 86 -5.544 -6.942 -7.364 668 H GLY 87 HN GLY 87 -2.754 -5.185 -9.225 669 1HA GLY 87 HA2 GLY 87 -3.259 -3.147 -11.150 670 2HA GLY 87 HA1 GLY 87 -4.172 -2.750 -9.703 671 H GLU 88 HN GLU 88 -2.033 -1.209 -10.774 672 HA GLU 88 HA GLU 88 -0.446 -0.848 -8.392 673 1HB GLU 88 HB2 GLU 88 1.075 -2.493 -9.005 674 2HB GLU 88 HB1 GLU 88 0.637 -2.398 -10.700 675 1HG GLU 88 HG2 GLU 88 2.964 -1.657 -10.284 676 2HG GLU 88 HG1 GLU 88 1.990 -0.362 -10.962 677 H PHE 89 HN PHE 89 0.600 1.200 -8.436 678 HA PHE 89 HA PHE 89 0.970 2.645 -10.897 679 1HB PHE 89 HB2 PHE 89 -0.714 4.294 -10.818 680 2HB PHE 89 HB1 PHE 89 -1.567 2.779 -10.545 681 HD1 PHE 89 HD1 PHE 89 -0.094 5.727 -8.864 682 HD2 PHE 89 HD2 PHE 89 -2.798 2.417 -8.516 683 HE1 PHE 89 HE1 PHE 89 -1.002 6.704 -6.772 684 HE2 PHE 89 HE2 PHE 89 -3.711 3.388 -6.413 685 HZ PHE 89 HZ PHE 89 -2.820 5.537 -5.558 686 H SER 90 HN SER 90 1.778 4.866 -10.463 687 HA SER 90 HA SER 90 2.881 5.160 -7.691 688 1HB SER 90 HB2 SER 90 4.965 5.978 -8.701 689 2HB SER 90 HB1 SER 90 4.630 4.324 -9.212 690 HG SER 90 HG SER 90 4.228 5.016 -11.191 691 H GLY 91 HN GLY 91 3.721 7.416 -7.364 692 1HA GLY 91 HA2 GLY 91 3.615 9.779 -8.104 693 2HA GLY 91 HA1 GLY 91 2.037 9.435 -8.822 694 H ALA 92 HN ALA 92 2.954 11.321 -6.600 695 HA ALA 92 HA ALA 92 1.626 10.289 -4.213 696 1HB ALA 92 HB1 ALA 92 2.924 12.869 -5.032 697 2HB ALA 92 HB3 ALA 92 1.906 12.843 -3.592 698 3HB ALA 92 HB2 ALA 92 3.333 11.803 -3.690 699 H ASN 93 HN ASN 93 -0.383 9.862 -5.734 700 HA ASN 93 HA ASN 93 -2.179 12.272 -5.628 701 1HB ASN 93 HB2 ASN 93 -1.725 11.445 -7.961 702 2HB ASN 93 HB1 ASN 93 -2.440 9.897 -7.495 703 1HD2 ASN 93 HD22 ASN 93 -4.849 13.023 -8.358 704 2HD2 ASN 93 HD21 ASN 93 -3.165 13.118 -8.522 705 H LYS 94 HN LYS 94 -3.110 11.890 -3.645 706 HA LYS 94 HA LYS 94 -3.770 9.286 -2.643 707 1HB LYS 94 HB2 LYS 94 -5.148 10.614 -1.005 708 2HB LYS 94 HB1 LYS 94 -3.448 11.058 -1.085 709 1HG LYS 94 HG2 LYS 94 -5.151 12.568 -2.991 710 2HG LYS 94 HG1 LYS 94 -5.598 12.834 -1.315 711 1HD LYS 94 HD2 LYS 94 -3.130 13.323 -0.864 712 2HD LYS 94 HD1 LYS 94 -2.910 13.332 -2.618 713 1HE LYS 94 HE2 LYS 94 -4.620 15.088 -2.828 714 2HE LYS 94 HE1 LYS 94 -4.861 15.066 -1.080 715 1HZ LYS 94 HZ1 LYS 94 -2.171 15.512 -2.198 716 2HZ LYS 94 HZ3 LYS 94 -3.273 16.799 -2.119 717 3HZ LYS 94 HZ2 LYS 94 -2.801 15.996 -0.697 718 H GLU 95 HN GLU 95 -5.661 11.657 -4.494 719 HA GLU 95 HA GLU 95 -8.223 10.477 -4.043 720 1HB GLU 95 HB2 GLU 95 -7.210 12.051 -6.424 721 2HB GLU 95 HB1 GLU 95 -8.901 11.718 -6.075 722 1HG GLU 95 HG2 GLU 95 -7.035 13.197 -4.205 723 2HG GLU 95 HG1 GLU 95 -8.182 13.978 -5.286 724 H LYS 96 HN LYS 96 -5.624 9.711 -6.210 725 HA LYS 96 HA LYS 96 -6.989 8.084 -8.109 726 1HB LYS 96 HB2 LYS 96 -4.609 8.953 -8.177 727 2HB LYS 96 HB1 LYS 96 -4.182 7.686 -7.048 728 1HG LYS 96 HG2 LYS 96 -4.707 5.968 -8.619 729 2HG LYS 96 HG1 LYS 96 -5.519 7.109 -9.701 730 1HD LYS 96 HD2 LYS 96 -3.398 8.265 -10.122 731 2HD LYS 96 HD1 LYS 96 -2.561 7.197 -8.998 732 1HE LYS 96 HE2 LYS 96 -2.156 6.401 -11.250 733 2HE LYS 96 HE1 LYS 96 -3.243 5.256 -10.458 734 1HZ LYS 96 HZ1 LYS 96 -4.217 7.503 -12.112 735 2HZ LYS 96 HZ3 LYS 96 -3.889 5.973 -12.760 736 3HZ LYS 96 HZ2 LYS 96 -5.089 6.151 -11.571 737 H LEU 97 HN LEU 97 -5.696 7.446 -4.888 738 HA LEU 97 HA LEU 97 -5.873 4.605 -4.879 739 1HB LEU 97 HB2 LEU 97 -6.274 6.667 -2.691 740 2HB LEU 97 HB1 LEU 97 -6.306 4.943 -2.368 741 HG LEU 97 HG LEU 97 -3.974 6.254 -3.749 742 1HD1 LEU 97 HD13 LEU 97 -4.360 7.349 -1.552 743 2HD1 LEU 97 HD12 LEU 97 -4.304 5.770 -0.778 744 3HD1 LEU 97 HD11 LEU 97 -2.867 6.413 -1.572 745 1HD2 LEU 97 HD23 LEU 97 -4.629 3.550 -3.263 746 2HD2 LEU 97 HD22 LEU 97 -3.051 4.172 -3.705 747 3HD2 LEU 97 HD21 LEU 97 -3.453 3.942 -2.009 748 H GLU 98 HN GLU 98 -8.191 7.131 -4.217 749 HA GLU 98 HA GLU 98 -10.339 5.494 -3.291 750 1HB GLU 98 HB2 GLU 98 -10.223 7.953 -3.033 751 2HB GLU 98 HB1 GLU 98 -10.480 8.136 -4.770 752 1HG GLU 98 HG2 GLU 98 -12.656 6.940 -4.546 753 2HG GLU 98 HG1 GLU 98 -12.404 6.866 -2.803 754 H ALA 99 HN ALA 99 -9.544 6.595 -6.590 755 HA ALA 99 HA ALA 99 -11.901 5.440 -7.762 756 1HB ALA 99 HB2 ALA 99 -10.503 7.203 -8.857 757 2HB ALA 99 HB1 ALA 99 -9.257 5.985 -9.130 758 3HB ALA 99 HB3 ALA 99 -10.834 5.823 -9.903 759 H THR 100 HN THR 100 -8.575 4.179 -7.420 760 HA THR 100 HA THR 100 -9.074 1.811 -8.940 761 HB THR 100 HB THR 100 -7.111 2.093 -6.651 762 HG1 THR 100 HG1 THR 100 -7.262 3.292 -9.081 763 1HG2 THR 100 HG22 THR 100 -7.319 0.292 -9.074 764 2HG2 THR 100 HG21 THR 100 -5.856 0.436 -8.102 765 3HG2 THR 100 HG23 THR 100 -7.340 -0.188 -7.379 766 H ILE 101 HN ILE 101 -9.453 2.510 -5.485 767 HA ILE 101 HA ILE 101 -10.076 -0.155 -4.624 768 HB ILE 101 HB ILE 101 -10.938 2.563 -3.574 769 1HG1 ILE 101 HG12 ILE 101 -9.008 0.587 -2.342 770 2HG1 ILE 101 HG11 ILE 101 -8.470 1.755 -3.544 771 1HG2 ILE 101 HG21 ILE 101 -11.342 -0.208 -2.400 772 2HG2 ILE 101 HG23 ILE 101 -11.496 1.278 -1.469 773 3HG2 ILE 101 HG22 ILE 101 -12.598 0.962 -2.807 774 1HD1 ILE 101 HD12 ILE 101 -9.354 3.595 -2.133 775 2HD1 ILE 101 HD11 ILE 101 -9.854 2.414 -0.925 776 3HD1 ILE 101 HD13 ILE 101 -8.143 2.644 -1.278 777 H ASN 102 HN ASN 102 -12.174 2.544 -5.630 778 HA ASN 102 HA ASN 102 -14.657 1.143 -5.485 779 1HB ASN 102 HB2 ASN 102 -14.449 3.619 -5.788 780 2HB ASN 102 HB1 ASN 102 -13.875 3.336 -7.436 781 1HD2 ASN 102 HD22 ASN 102 -17.811 3.451 -6.831 782 2HD2 ASN 102 HD21 ASN 102 -16.658 4.074 -5.749 783 H GLU 103 HN GLU 103 -12.179 1.379 -7.953 784 HA GLU 103 HA GLU 103 -13.642 0.138 -10.080 785 1HB GLU 103 HB2 GLU 103 -11.473 1.460 -10.251 786 2HB GLU 103 HB1 GLU 103 -10.650 0.038 -9.623 787 1HG GLU 103 HG2 GLU 103 -11.645 -1.312 -11.492 788 2HG GLU 103 HG1 GLU 103 -12.280 0.181 -12.177 789 H LEU 104 HN LEU 104 -11.496 -1.126 -7.550 790 HA LEU 104 HA LEU 104 -11.966 -3.905 -8.500 791 1HB LEU 104 HB2 LEU 104 -10.106 -2.789 -6.393 792 2HB LEU 104 HB1 LEU 104 -10.196 -4.488 -6.844 793 HG LEU 104 HG LEU 104 -9.470 -2.198 -8.701 794 1HD1 LEU 104 HD12 LEU 104 -7.837 -4.257 -7.217 795 2HD1 LEU 104 HD11 LEU 104 -7.237 -3.511 -8.699 796 3HD1 LEU 104 HD13 LEU 104 -7.604 -2.513 -7.294 797 1HD2 LEU 104 HD23 LEU 104 -9.983 -5.133 -9.121 798 2HD2 LEU 104 HD22 LEU 104 -10.355 -3.770 -10.174 799 3HD2 LEU 104 HD21 LEU 104 -8.705 -4.370 -10.069 800 H VAL 105 HN VAL 105 -13.436 -1.808 -6.295 801 HA VAL 105 HA VAL 105 -13.789 -3.576 -4.049 802 HB VAL 105 HB VAL 105 -14.378 -1.062 -4.181 803 1HG1 VAL 105 HG11 VAL 105 -15.851 -1.515 -6.274 804 2HG1 VAL 105 HG13 VAL 105 -17.072 -2.034 -5.118 805 3HG1 VAL 105 HG12 VAL 105 -16.452 -0.385 -5.065 806 1HG2 VAL 105 HG21 VAL 105 -14.952 -2.559 -2.263 807 2HG2 VAL 105 HG23 VAL 105 -16.138 -1.274 -2.513 808 3HG2 VAL 105 HG22 VAL 105 -16.489 -2.915 -3.049 809 HA PRO 59 HA PRO 106 13.730 16.088 -14.574 810 1HB PRO 59 HB2 PRO 106 16.364 15.765 -13.163 811 2HB PRO 59 HB1 PRO 106 15.865 15.166 -14.760 812 1HG PRO 59 HG2 PRO 106 17.416 17.313 -14.542 813 2HG PRO 59 HG1 PRO 106 16.142 17.231 -15.771 814 1HD PRO 59 HD2 PRO 106 16.209 18.831 -13.247 815 2HD PRO 59 HD1 PRO 106 15.378 19.172 -14.779 816 H ALA 60 HN ALA 107 14.598 16.975 -11.281 817 HA ALA 60 HA ALA 107 13.635 14.379 -10.216 818 1HB ALA 60 HB1 ALA 107 14.798 16.841 -8.888 819 2HB ALA 60 HB3 ALA 107 14.303 15.386 -8.021 820 3HB ALA 60 HB2 ALA 107 15.625 15.315 -9.186 821 H THR 61 HN THR 108 11.537 14.140 -9.618 822 HA THR 61 HA THR 108 9.834 16.582 -9.324 823 HB THR 61 HB THR 108 8.939 13.702 -9.628 824 HG1 THR 61 HG1 THR 108 8.514 14.695 -11.843 825 1HG2 THR 61 HG21 THR 108 7.301 15.358 -8.718 826 2HG2 THR 61 HG23 THR 108 7.531 16.332 -10.170 827 3HG2 THR 61 HG22 THR 108 6.826 14.718 -10.289 828 H LEU 62 HN LEU 109 9.066 17.116 -7.358 829 HA LEU 62 HA LEU 109 9.916 15.742 -4.988 830 1HB LEU 62 HB2 LEU 109 7.830 17.886 -5.454 831 2HB LEU 62 HB1 LEU 109 8.283 17.314 -3.851 832 HG LEU 62 HG LEU 109 10.254 18.446 -5.863 833 1HD1 LEU 62 HD11 LEU 109 8.514 20.094 -5.076 834 2HD1 LEU 62 HD13 LEU 109 9.084 19.822 -3.430 835 3HD1 LEU 62 HD12 LEU 109 10.164 20.522 -4.637 836 1HD2 LEU 62 HD23 LEU 109 10.447 17.442 -3.031 837 2HD2 LEU 62 HD22 LEU 109 11.572 17.231 -4.371 838 3HD2 LEU 62 HD21 LEU 109 11.492 18.770 -3.524 839 H LYS 63 HN LYS 110 7.067 15.519 -6.983 840 HA LYS 63 HA LYS 110 5.305 14.265 -5.127 841 1HB LYS 63 HB2 LYS 110 5.500 13.868 -8.130 842 2HB LYS 63 HB1 LYS 110 4.119 13.426 -7.129 843 1HG LYS 63 HG2 LYS 110 5.194 16.233 -7.570 844 2HG LYS 63 HG1 LYS 110 3.696 15.571 -8.229 845 1HD LYS 63 HD2 LYS 110 3.057 15.135 -5.739 846 2HD LYS 63 HD1 LYS 110 4.345 16.283 -5.369 847 1HE LYS 63 HE2 LYS 110 2.305 17.540 -5.518 848 2HE LYS 63 HE1 LYS 110 3.253 17.900 -6.960 849 1HZ LYS 63 HZ3 LYS 110 1.833 15.731 -7.705 850 2HZ LYS 63 HZ2 LYS 110 0.726 16.559 -6.723 851 3HZ LYS 63 HZ1 LYS 110 1.420 17.335 -8.061 852 H ILE 64 HN ILE 111 8.152 13.120 -6.645 853 HA ILE 64 HA ILE 111 7.581 10.331 -5.665 854 HB ILE 64 HB ILE 111 9.031 11.222 -8.181 855 1HG1 ILE 64 HG12 ILE 111 6.607 11.162 -8.429 856 2HG1 ILE 64 HG11 ILE 111 7.322 9.824 -9.318 857 1HG2 ILE 64 HG21 ILE 111 8.907 8.522 -6.830 858 2HG2 ILE 64 HG23 ILE 111 9.254 8.692 -8.548 859 3HG2 ILE 64 HG22 ILE 111 10.331 9.416 -7.354 860 1HD1 ILE 64 HD13 ILE 111 6.890 8.558 -6.975 861 2HD1 ILE 64 HD12 ILE 111 5.629 9.787 -6.859 862 3HD1 ILE 64 HD11 ILE 111 5.652 8.670 -8.223 863 H CYS 65 HN CYS 112 9.289 9.368 -4.497 864 HA CYS 65 HA CYS 112 11.658 11.100 -3.968 865 1HB CYS 65 HB2 CYS 112 11.084 8.470 -2.582 866 2HB CYS 65 HB1 CYS 112 12.095 9.798 -2.037 867 H SER 66 HN SER 113 13.615 10.557 -4.911 868 HA SER 66 HA SER 113 13.683 8.321 -6.793 869 1HB SER 66 HB2 SER 113 15.845 10.244 -5.885 870 2HB SER 66 HB1 SER 113 16.010 9.094 -7.213 871 HG SER 66 HG SER 113 14.404 11.391 -6.993 872 H TRP 67 HN TRP 114 14.796 6.354 -6.569 873 HA TRP 67 HA TRP 114 15.489 5.519 -3.858 874 1HB TRP 67 HB2 TRP 114 15.740 4.088 -6.527 875 2HB TRP 67 HB1 TRP 114 16.189 3.367 -4.980 876 HD1 TRP 67 HD1 TRP 114 13.125 5.406 -6.155 877 HE1 TRP 67 HE1 TRP 114 11.004 4.214 -5.320 878 HE3 TRP 67 HE3 TRP 114 15.211 1.356 -3.865 879 HZ2 TRP 67 HZ2 TRP 114 10.304 1.872 -3.853 880 HZ3 TRP 67 HZ3 TRP 114 13.798 -0.339 -2.763 881 HH2 TRP 67 HH2 TRP 114 11.335 -0.093 -2.768 882 H ASN 68 HN ASN 115 17.117 7.203 -6.262 883 HA ASN 68 HA ASN 115 19.728 6.144 -6.211 884 1HB ASN 68 HB2 ASN 115 18.787 9.027 -6.312 885 2HB ASN 68 HB1 ASN 115 20.461 8.538 -6.571 886 1HD2 ASN 68 HD22 ASN 115 18.366 6.512 -9.331 887 2HD2 ASN 68 HD21 ASN 115 18.379 6.092 -7.684 888 H VAL 69 HN VAL 116 17.870 7.378 -3.640 889 HA VAL 69 HA VAL 116 19.888 8.571 -2.009 890 HB VAL 69 HB VAL 116 18.352 7.933 -0.104 891 1HG1 VAL 69 HG11 VAL 116 18.090 10.023 -1.477 892 2HG1 VAL 69 HG13 VAL 116 16.956 9.144 -2.505 893 3HG1 VAL 69 HG12 VAL 116 16.573 9.425 -0.806 894 1HG2 VAL 69 HG21 VAL 116 17.552 5.820 -1.270 895 2HG2 VAL 69 HG23 VAL 116 16.270 6.830 -0.601 896 3HG2 VAL 69 HG22 VAL 116 16.603 6.860 -2.333 897 H ASP 70 HN ASP 117 21.302 7.684 -0.496 898 HA ASP 70 HA ASP 117 22.355 5.088 -1.019 899 1HB ASP 70 HB2 ASP 117 22.601 6.915 1.390 900 2HB ASP 70 HB1 ASP 117 23.535 5.429 1.194 901 H GLY 71 HN GLY 118 20.037 6.270 1.388 902 1HA GLY 71 HA2 GLY 118 19.856 3.859 2.909 903 2HA GLY 71 HA1 GLY 118 18.602 5.097 2.826 No H/Q in entry = 903 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -8.780 -1.532 7.437 2 2H MET 1 HT3 MET 1 -8.384 -3.164 7.678 3 3H MET 1 HT2 MET 1 -9.674 -2.472 8.538 4 HA MET 1 HA MET 1 -8.153 -1.018 9.717 5 1HB MET 1 HB2 MET 1 -7.421 -3.962 9.748 6 2HB MET 1 HB1 MET 1 -6.932 -2.805 10.987 7 1HG MET 1 HG2 MET 1 -9.808 -3.406 10.232 8 2HG MET 1 HG1 MET 1 -8.977 -4.094 11.624 9 1HE MET 1 HE2 MET 1 -7.862 -2.947 13.300 10 2HE MET 1 HE1 MET 1 -7.284 -1.335 12.891 11 3HE MET 1 HE3 MET 1 -8.521 -1.544 14.138 12 H VAL 2 HN VAL 2 -5.827 -0.713 10.308 13 HA VAL 2 HA VAL 2 -4.135 -0.709 7.842 14 HB VAL 2 HB VAL 2 -3.927 0.792 10.469 15 1HG1 VAL 2 HG12 VAL 2 -2.113 0.693 8.049 16 2HG1 VAL 2 HG11 VAL 2 -2.100 2.038 9.188 17 3HG1 VAL 2 HG13 VAL 2 -1.679 0.415 9.736 18 1HG2 VAL 2 HG23 VAL 2 -5.694 1.467 8.788 19 2HG2 VAL 2 HG22 VAL 2 -4.501 2.718 9.127 20 3HG2 VAL 2 HG21 VAL 2 -4.392 1.779 7.640 21 H LYS 3 HN LYS 3 -2.333 -2.035 7.738 22 HA LYS 3 HA LYS 3 -1.319 -3.291 10.262 23 1HB LYS 3 HB2 LYS 3 -2.766 -4.894 8.987 24 2HB LYS 3 HB1 LYS 3 -1.709 -4.690 7.598 25 1HG LYS 3 HG2 LYS 3 -0.993 -6.694 8.701 26 2HG LYS 3 HG1 LYS 3 0.216 -5.468 9.065 27 1HD LYS 3 HD2 LYS 3 -0.540 -5.193 11.277 28 2HD LYS 3 HD1 LYS 3 -2.103 -5.936 10.936 29 1HE LYS 3 HE2 LYS 3 -1.001 -8.114 10.623 30 2HE LYS 3 HE1 LYS 3 0.567 -7.373 10.936 31 1HZ LYS 3 HZ1 LYS 3 -1.420 -6.831 12.950 32 2HZ LYS 3 HZ3 LYS 3 -1.015 -8.472 12.816 33 3HZ LYS 3 HZ2 LYS 3 0.197 -7.321 13.122 34 H GLN 4 HN GLN 4 0.886 -3.195 10.419 35 HA GLN 4 HA GLN 4 2.378 -2.032 8.116 36 1HB GLN 4 HB2 GLN 4 2.581 -0.947 10.341 37 2HB GLN 4 HB1 GLN 4 3.217 -2.453 11.003 38 1HG GLN 4 HG2 GLN 4 5.114 -2.356 9.422 39 2HG GLN 4 HG1 GLN 4 4.475 -0.853 8.752 40 1HE2 GLN 4 HE22 GLN 4 6.637 0.709 11.109 41 2HE2 GLN 4 HE21 GLN 4 6.402 0.338 9.469 42 H ILE 5 HN ILE 5 3.583 -3.375 6.877 43 HA ILE 5 HA ILE 5 4.240 -6.112 7.890 44 HB ILE 5 HB ILE 5 4.522 -5.001 5.094 45 1HG1 ILE 5 HG12 ILE 5 2.193 -4.813 5.719 46 2HG1 ILE 5 HG11 ILE 5 2.366 -6.200 4.647 47 1HG2 ILE 5 HG22 ILE 5 5.615 -7.286 6.119 48 2HG2 ILE 5 HG21 ILE 5 4.050 -7.901 5.599 49 3HG2 ILE 5 HG23 ILE 5 5.118 -7.112 4.444 50 1HD1 ILE 5 HD11 ILE 5 2.642 -7.576 6.853 51 2HD1 ILE 5 HD13 ILE 5 1.915 -6.169 7.625 52 3HD1 ILE 5 HD12 ILE 5 1.029 -7.049 6.385 53 H GLU 6 HN GLU 6 6.274 -6.235 8.773 54 HA GLU 6 HA GLU 6 8.384 -4.371 7.775 55 1HB GLU 6 HB2 GLU 6 8.374 -6.213 10.192 56 2HB GLU 6 HB1 GLU 6 9.638 -5.052 9.774 57 1HG GLU 6 HG2 GLU 6 6.763 -4.226 10.212 58 2HG GLU 6 HG1 GLU 6 7.950 -4.263 11.515 59 H SER 7 HN SER 7 7.234 -7.414 7.086 60 HA SER 7 HA SER 7 9.821 -8.151 5.850 61 1HB SER 7 HB2 SER 7 9.778 -10.435 6.793 62 2HB SER 7 HB1 SER 7 9.948 -9.219 8.061 63 HG SER 7 HG SER 7 8.357 -10.659 8.669 64 H LYS 8 HN LYS 8 9.618 -9.733 4.190 65 HA LYS 8 HA LYS 8 7.154 -9.667 2.708 66 1HB LYS 8 HB2 LYS 8 9.495 -10.092 1.772 67 2HB LYS 8 HB1 LYS 8 9.352 -11.719 2.442 68 1HG LYS 8 HG2 LYS 8 7.323 -12.110 1.117 69 2HG LYS 8 HG1 LYS 8 7.426 -10.476 0.467 70 1HD LYS 8 HD2 LYS 8 8.340 -12.150 -1.116 71 2HD LYS 8 HD1 LYS 8 9.569 -11.001 -0.597 72 1HE LYS 8 HE2 LYS 8 10.145 -13.553 -0.616 73 2HE LYS 8 HE1 LYS 8 10.657 -12.579 0.757 74 1HZ LYS 8 HZ2 LYS 8 8.516 -13.247 1.841 75 2HZ LYS 8 HZ1 LYS 8 8.292 -14.360 0.577 76 3HZ LYS 8 HZ3 LYS 8 9.625 -14.514 1.613 77 H THR 9 HN THR 9 8.536 -11.867 5.072 78 HA THR 9 HA THR 9 6.858 -14.106 4.624 79 HB THR 9 HB THR 9 7.846 -13.086 7.302 80 HG1 THR 9 HG1 THR 9 9.725 -13.912 6.791 81 1HG2 THR 9 HG23 THR 9 6.977 -15.817 6.322 82 2HG2 THR 9 HG22 THR 9 7.771 -15.527 7.870 83 3HG2 THR 9 HG21 THR 9 6.183 -14.832 7.549 84 H ALA 10 HN ALA 10 6.381 -11.270 6.713 85 HA ALA 10 HA ALA 10 3.730 -12.046 7.548 86 1HB ALA 10 HB2 ALA 10 5.178 -9.381 7.513 87 2HB ALA 10 HB1 ALA 10 3.545 -9.572 8.151 88 3HB ALA 10 HB3 ALA 10 4.891 -10.430 8.901 89 H PHE 11 HN PHE 11 5.030 -10.293 4.786 90 HA PHE 11 HA PHE 11 2.648 -9.036 3.880 91 1HB PHE 11 HB2 PHE 11 4.988 -8.771 2.913 92 2HB PHE 11 HB1 PHE 11 4.773 -10.317 2.126 93 HD1 PHE 11 HD1 PHE 11 2.938 -7.067 2.550 94 HD2 PHE 11 HD2 PHE 11 3.947 -10.331 -0.055 95 HE1 PHE 11 HE1 PHE 11 1.724 -5.964 0.693 96 HE2 PHE 11 HE2 PHE 11 2.733 -9.225 -1.909 97 HZ PHE 11 HZ PHE 11 1.619 -7.049 -1.536 98 H GLN 12 HN GLN 12 3.964 -12.269 3.257 99 HA GLN 12 HA GLN 12 1.861 -13.153 1.507 100 1HB GLN 12 HB2 GLN 12 3.647 -14.736 3.396 101 2HB GLN 12 HB1 GLN 12 2.716 -15.411 2.060 102 1HG GLN 12 HG2 GLN 12 4.871 -13.297 1.759 103 2HG GLN 12 HG1 GLN 12 5.104 -15.019 1.451 104 1HE2 GLN 12 HE22 GLN 12 3.541 -12.746 -1.449 105 2HE2 GLN 12 HE21 GLN 12 4.294 -12.114 -0.064 106 H GLU 13 HN GLU 13 2.371 -13.360 5.022 107 HA GLU 13 HA GLU 13 0.013 -14.879 5.627 108 1HB GLU 13 HB2 GLU 13 1.585 -12.898 7.310 109 2HB GLU 13 HB1 GLU 13 0.341 -13.958 7.946 110 1HG GLU 13 HG2 GLU 13 2.846 -14.902 6.527 111 2HG GLU 13 HG1 GLU 13 2.623 -14.888 8.276 112 H ALA 14 HN ALA 14 0.578 -11.398 5.318 113 HA ALA 14 HA ALA 14 -2.009 -10.634 6.313 114 1HB ALA 14 HB1 ALA 14 -0.043 -9.096 6.102 115 2HB ALA 14 HB3 ALA 14 -0.255 -9.132 4.351 116 3HB ALA 14 HB2 ALA 14 -1.517 -8.451 5.379 117 H LEU 15 HN LEU 15 -0.750 -11.264 3.040 118 HA LEU 15 HA LEU 15 -3.094 -10.522 1.617 119 1HB LEU 15 HB2 LEU 15 -0.982 -12.614 1.046 120 2HB LEU 15 HB1 LEU 15 -2.240 -12.168 -0.107 121 HG LEU 15 HG LEU 15 -0.292 -10.205 1.129 122 1HD1 LEU 15 HD11 LEU 15 -0.203 -11.759 -1.457 123 2HD1 LEU 15 HD13 LEU 15 0.657 -10.232 -1.266 124 3HD1 LEU 15 HD12 LEU 15 1.050 -11.600 -0.227 125 1HD2 LEU 15 HD22 LEU 15 -2.538 -9.992 -0.861 126 2HD2 LEU 15 HD21 LEU 15 -2.043 -8.865 0.398 127 3HD2 LEU 15 HD23 LEU 15 -1.120 -8.968 -1.097 128 H ASP 16 HN ASP 16 -2.111 -13.554 3.138 129 HA ASP 16 HA ASP 16 -4.397 -15.055 2.278 130 1HB ASP 16 HB2 ASP 16 -2.241 -16.036 3.143 131 2HB ASP 16 HB1 ASP 16 -2.751 -15.551 4.765 132 H ALA 17 HN ALA 17 -3.715 -13.092 5.134 133 HA ALA 17 HA ALA 17 -6.049 -13.872 6.605 134 1HB ALA 17 HB3 ALA 17 -4.049 -12.756 7.598 135 2HB ALA 17 HB2 ALA 17 -4.510 -11.266 6.772 136 3HB ALA 17 HB1 ALA 17 -5.558 -11.945 8.017 137 H ALA 18 HN ALA 18 -5.461 -11.290 4.249 138 HA ALA 18 HA ALA 18 -7.930 -9.894 4.650 139 1HB ALA 18 HB3 ALA 18 -6.136 -10.189 2.235 140 2HB ALA 18 HB2 ALA 18 -7.544 -9.125 2.259 141 3HB ALA 18 HB1 ALA 18 -6.198 -8.835 3.364 142 H GLY 19 HN GLY 19 -7.078 -12.755 2.780 143 1HA GLY 19 HA2 GLY 19 -8.459 -14.385 1.811 144 2HA GLY 19 HA1 GLY 19 -9.808 -13.659 2.686 145 H ASP 20 HN ASP 20 -11.379 -13.050 1.293 146 HA ASP 20 HA ASP 20 -10.702 -12.379 -1.501 147 1HB ASP 20 HB2 ASP 20 -13.382 -12.587 -0.099 148 2HB ASP 20 HB1 ASP 20 -13.143 -12.390 -1.837 149 H LYS 21 HN LYS 21 -10.781 -10.619 1.308 150 HA LYS 21 HA LYS 21 -12.296 -8.302 0.414 151 1HB LYS 21 HB2 LYS 21 -10.200 -8.667 2.576 152 2HB LYS 21 HB1 LYS 21 -11.054 -7.151 2.298 153 1HG LYS 21 HG2 LYS 21 -13.219 -8.569 2.522 154 2HG LYS 21 HG1 LYS 21 -12.173 -9.790 3.245 155 1HD LYS 21 HD2 LYS 21 -11.336 -7.924 4.798 156 2HD LYS 21 HD1 LYS 21 -12.713 -6.981 4.221 157 1HE LYS 21 HE2 LYS 21 -14.202 -8.898 4.894 158 2HE LYS 21 HE1 LYS 21 -12.797 -9.654 5.639 159 1HZ LYS 21 HZ3 LYS 21 -13.411 -6.876 6.325 160 2HZ LYS 21 HZ2 LYS 21 -14.367 -8.104 7.008 161 3HZ LYS 21 HZ1 LYS 21 -12.687 -8.088 7.267 162 H LEU 22 HN LEU 22 -11.445 -6.332 -0.464 163 HA LEU 22 HA LEU 22 -9.262 -6.587 -2.259 164 1HB LEU 22 HB2 LEU 22 -11.243 -4.718 -1.797 165 2HB LEU 22 HB1 LEU 22 -9.830 -3.859 -1.209 166 HG LEU 22 HG LEU 22 -10.224 -5.016 -3.975 167 1HD1 LEU 22 HD13 LEU 22 -10.643 -2.360 -2.764 168 2HD1 LEU 22 HD12 LEU 22 -9.574 -2.295 -4.155 169 3HD1 LEU 22 HD11 LEU 22 -11.184 -2.988 -4.315 170 1HD2 LEU 22 HD22 LEU 22 -7.796 -3.848 -2.613 171 2HD2 LEU 22 HD21 LEU 22 -7.908 -5.313 -3.592 172 3HD2 LEU 22 HD23 LEU 22 -7.991 -3.731 -4.356 173 H VAL 23 HN VAL 23 -7.100 -5.460 -2.032 174 HA VAL 23 HA VAL 23 -6.270 -4.868 0.742 175 HB VAL 23 HB VAL 23 -4.897 -6.933 -1.005 176 1HG1 VAL 23 HG13 VAL 23 -4.209 -5.665 1.652 177 2HG1 VAL 23 HG12 VAL 23 -3.497 -7.187 1.121 178 3HG1 VAL 23 HG11 VAL 23 -3.222 -5.714 0.192 179 1HG2 VAL 23 HG22 VAL 23 -6.474 -7.144 1.572 180 2HG2 VAL 23 HG21 VAL 23 -6.837 -7.923 0.032 181 3HG2 VAL 23 HG23 VAL 23 -5.427 -8.424 0.961 182 H VAL 24 HN VAL 24 -5.191 -2.985 0.601 183 HA VAL 24 HA VAL 24 -3.780 -2.329 -1.959 184 HB VAL 24 HB VAL 24 -4.674 -0.424 0.230 185 1HG1 VAL 24 HG11 VAL 24 -2.790 0.271 -1.304 186 2HG1 VAL 24 HG13 VAL 24 -3.905 0.094 -2.658 187 3HG1 VAL 24 HG12 VAL 24 -4.217 1.299 -1.407 188 1HG2 VAL 24 HG21 VAL 24 -6.024 -1.325 -2.323 189 2HG2 VAL 24 HG23 VAL 24 -6.673 -1.362 -0.686 190 3HG2 VAL 24 HG22 VAL 24 -6.446 0.180 -1.510 191 H VAL 25 HN VAL 25 -1.574 -1.828 -1.840 192 HA VAL 25 HA VAL 25 -0.308 -1.961 0.888 193 HB VAL 25 HB VAL 25 0.880 -2.955 -1.716 194 1HG1 VAL 25 HG11 VAL 25 2.441 -2.229 0.126 195 2HG1 VAL 25 HG13 VAL 25 1.707 -3.467 1.144 196 3HG1 VAL 25 HG12 VAL 25 2.581 -3.930 -0.313 197 1HG2 VAL 25 HG23 VAL 25 -1.153 -4.258 -0.900 198 2HG2 VAL 25 HG22 VAL 25 0.336 -5.185 -1.019 199 3HG2 VAL 25 HG21 VAL 25 -0.228 -4.626 0.556 200 H ASP 26 HN ASP 26 0.676 -0.086 1.383 201 HA ASP 26 HA ASP 26 1.448 1.785 -0.820 202 1HB ASP 26 HB2 ASP 26 0.031 2.641 1.043 203 2HB ASP 26 HB1 ASP 26 1.320 2.253 2.183 204 H PHE 27 HN PHE 27 3.540 1.679 -1.464 205 HA PHE 27 HA PHE 27 5.626 0.594 0.359 206 1HB PHE 27 HB2 PHE 27 5.538 1.176 -2.607 207 2HB PHE 27 HB1 PHE 27 7.052 0.803 -1.774 208 HD1 PHE 27 HD1 PHE 27 7.297 -1.365 -0.552 209 HD2 PHE 27 HD2 PHE 27 3.959 -0.543 -3.126 210 HE1 PHE 27 HE1 PHE 27 6.799 -3.792 -0.678 211 HE2 PHE 27 HE2 PHE 27 3.460 -2.967 -3.241 212 HZ PHE 27 HZ PHE 27 4.878 -4.592 -2.024 213 H SER 28 HN SER 28 4.413 3.342 0.617 214 HA SER 28 HA SER 28 6.222 5.309 -0.310 215 1HB SER 28 HB2 SER 28 4.617 5.310 2.257 216 2HB SER 28 HB1 SER 28 5.349 6.723 1.507 217 HG SER 28 HG SER 28 2.995 5.971 1.052 218 H ALA 29 HN ALA 29 8.020 6.274 0.590 219 HA ALA 29 HA ALA 29 9.621 4.572 2.363 220 1HB ALA 29 HB3 ALA 29 10.081 7.122 0.813 221 2HB ALA 29 HB2 ALA 29 11.237 6.631 2.051 222 3HB ALA 29 HB1 ALA 29 10.927 5.584 0.664 223 H THR 30 HN THR 30 9.657 4.851 4.564 224 HA THR 30 HA THR 30 7.997 6.863 5.783 225 HB THR 30 HB THR 30 8.455 4.741 6.932 226 HG1 THR 30 HG1 THR 30 9.148 5.688 8.949 227 1HG2 THR 30 HG21 THR 30 10.776 4.464 6.073 228 2HG2 THR 30 HG23 THR 30 11.308 5.747 7.161 229 3HG2 THR 30 HG22 THR 30 10.671 4.240 7.819 230 H TRP 31 HN TRP 31 11.408 6.644 4.978 231 HA TRP 31 HA TRP 31 12.193 8.967 6.542 232 1HB TRP 31 HB2 TRP 31 14.287 8.839 5.299 233 2HB TRP 31 HB1 TRP 31 13.807 7.241 5.865 234 HD1 TRP 31 HD1 TRP 31 13.347 5.424 4.109 235 HE1 TRP 31 HE1 TRP 31 13.532 5.312 1.541 236 HE3 TRP 31 HE3 TRP 31 13.850 10.384 3.062 237 HZ2 TRP 31 HZ2 TRP 31 13.815 7.101 -0.667 238 HZ3 TRP 31 HZ3 TRP 31 14.050 11.158 0.722 239 HH2 TRP 31 HH2 TRP 31 14.036 9.525 -1.143 240 H CYS 32 HN CYS 32 10.760 8.552 3.391 241 HA CYS 32 HA CYS 32 11.607 11.214 2.479 242 1HB CYS 32 HB2 CYS 32 11.168 9.176 0.972 243 2HB CYS 32 HB1 CYS 32 9.457 9.466 1.257 244 H GLY 33 HN GLY 33 10.719 12.893 3.496 245 1HA GLY 33 HA2 GLY 33 8.362 12.840 5.045 246 2HA GLY 33 HA1 GLY 33 9.110 14.309 4.421 247 HA PRO 34 HA PRO 34 6.131 14.946 1.226 248 1HB PRO 34 HB2 PRO 34 7.573 13.454 -0.924 249 2HB PRO 34 HB1 PRO 34 7.022 15.137 -0.894 250 1HG PRO 34 HG2 PRO 34 9.645 14.442 -0.641 251 2HG PRO 34 HG1 PRO 34 8.963 15.901 0.099 252 1HD PRO 34 HD2 PRO 34 9.825 13.367 1.395 253 2HD PRO 34 HD1 PRO 34 9.663 14.992 2.109 254 H ALA 35 HN ALA 35 7.434 11.637 1.146 255 HA ALA 35 HA ALA 35 4.976 10.500 0.072 256 1HB ALA 35 HB2 ALA 35 7.409 9.583 -0.092 257 2HB ALA 35 HB1 ALA 35 7.095 8.908 1.503 258 3HB ALA 35 HB3 ALA 35 6.091 8.438 0.133 259 H LYS 36 HN LYS 36 6.553 10.397 3.289 260 HA LYS 36 HA LYS 36 4.463 8.977 4.610 261 1HB LYS 36 HB2 LYS 36 6.764 9.446 5.545 262 2HB LYS 36 HB1 LYS 36 6.233 11.095 5.859 263 1HG LYS 36 HG2 LYS 36 4.300 10.116 7.180 264 2HG LYS 36 HG1 LYS 36 5.098 8.551 7.036 265 1HD LYS 36 HD2 LYS 36 7.116 9.483 8.121 266 2HD LYS 36 HD1 LYS 36 6.308 11.040 8.278 267 1HE LYS 36 HE2 LYS 36 6.122 9.826 10.384 268 2HE LYS 36 HE1 LYS 36 4.529 9.948 9.638 269 1HZ LYS 36 HZ2 LYS 36 5.031 7.707 8.630 270 2HZ LYS 36 HZ1 LYS 36 6.331 7.605 9.717 271 3HZ LYS 36 HZ3 LYS 36 4.745 7.730 10.304 272 H MET 37 HN MET 37 4.890 12.394 3.902 273 HA MET 37 HA MET 37 2.837 13.473 5.534 274 1HB MET 37 HB2 MET 37 4.560 14.757 4.192 275 2HB MET 37 HB1 MET 37 3.588 14.434 2.764 276 1HG MET 37 HG2 MET 37 1.630 15.496 3.975 277 2HG MET 37 HG1 MET 37 2.766 16.001 5.219 278 1HE MET 37 HE2 MET 37 1.711 18.289 4.725 279 2HE MET 37 HE1 MET 37 2.035 19.288 3.309 280 3HE MET 37 HE3 MET 37 0.879 17.951 3.208 281 H ILE 38 HN ILE 38 2.694 11.696 2.537 282 HA ILE 38 HA ILE 38 -0.107 12.391 2.014 283 HB ILE 38 HB ILE 38 1.688 10.311 0.711 284 1HG1 ILE 38 HG12 ILE 38 0.887 13.029 -0.353 285 2HG1 ILE 38 HG11 ILE 38 2.360 12.782 0.580 286 1HG2 ILE 38 HG22 ILE 38 -1.109 11.301 0.160 287 2HG2 ILE 38 HG21 ILE 38 -0.091 10.771 -1.182 288 3HG2 ILE 38 HG23 ILE 38 -0.482 9.654 0.123 289 1HD1 ILE 38 HD13 ILE 38 2.996 10.977 -1.082 290 2HD1 ILE 38 HD12 ILE 38 1.627 11.498 -2.062 291 3HD1 ILE 38 HD11 ILE 38 2.962 12.612 -1.741 292 H LYS 39 HN LYS 39 1.356 10.248 4.194 293 HA LYS 39 HA LYS 39 -0.316 7.979 3.723 294 1HB LYS 39 HB2 LYS 39 0.425 6.994 5.688 295 2HB LYS 39 HB1 LYS 39 1.797 7.953 5.156 296 1HG LYS 39 HG2 LYS 39 1.216 9.714 6.788 297 2HG LYS 39 HG1 LYS 39 -0.190 8.804 7.307 298 1HD LYS 39 HD2 LYS 39 2.728 8.105 7.682 299 2HD LYS 39 HD1 LYS 39 1.508 8.398 8.920 300 1HE LYS 39 HE2 LYS 39 0.288 6.339 7.908 301 2HE LYS 39 HE1 LYS 39 1.842 5.984 7.150 302 1HZ LYS 39 HZ2 LYS 39 1.897 6.633 9.981 303 2HZ LYS 39 HZ1 LYS 39 1.211 5.135 9.568 304 3HZ LYS 39 HZ3 LYS 39 2.806 5.495 9.110 305 HA PRO 40 HA PRO 40 -3.176 9.911 7.193 306 1HB PRO 40 HB2 PRO 40 -3.684 12.471 5.748 307 2HB PRO 40 HB1 PRO 40 -3.529 12.174 7.494 308 1HG PRO 40 HG2 PRO 40 -1.585 13.421 6.131 309 2HG PRO 40 HG1 PRO 40 -1.204 12.291 7.438 310 1HD PRO 40 HD2 PRO 40 -1.044 11.873 4.481 311 2HD PRO 40 HD1 PRO 40 0.051 11.268 5.746 312 H PHE 41 HN PHE 41 -3.442 10.744 3.709 313 HA PHE 41 HA PHE 41 -6.290 10.234 3.626 314 1HB PHE 41 HB2 PHE 41 -4.149 10.140 1.479 315 2HB PHE 41 HB1 PHE 41 -5.864 9.943 1.163 316 HD1 PHE 41 HD2 PHE 41 -3.420 12.278 2.730 317 HD2 PHE 41 HD1 PHE 41 -7.235 11.809 0.823 318 HE1 PHE 41 HE2 PHE 41 -3.693 14.744 2.674 319 HE2 PHE 41 HE1 PHE 41 -7.514 14.274 0.765 320 HZ PHE 41 HZ PHE 41 -5.741 15.741 1.691 321 H PHE 42 HN PHE 42 -3.415 8.295 2.847 322 HA PHE 42 HA PHE 42 -4.733 5.882 2.082 323 1HB PHE 42 HB2 PHE 42 -2.337 6.357 1.700 324 2HB PHE 42 HB1 PHE 42 -2.045 6.325 3.441 325 HD1 PHE 42 HD1 PHE 42 -3.181 4.260 0.559 326 HD2 PHE 42 HD2 PHE 42 -1.699 4.271 4.588 327 HE1 PHE 42 HE1 PHE 42 -2.886 1.805 0.457 328 HE2 PHE 42 HE2 PHE 42 -1.399 1.810 4.484 329 HZ PHE 42 HZ PHE 42 -1.996 0.577 2.418 330 H HIS 43 HN HIS 43 -3.353 6.850 5.205 331 HA HIS 43 HA HIS 43 -4.307 4.574 6.661 332 1HB HIS 43 HB2 HIS 43 -2.420 5.961 7.405 333 2HB HIS 43 HB1 HIS 43 -3.493 7.346 7.592 334 HD1 HIS 43 HD1 HIS 43 -2.521 4.118 9.211 335 HD2 HIS 43 HD2 HIS 43 -5.236 7.209 9.820 336 HE1 HIS 43 HE1 HIS 43 -3.533 3.737 11.504 337 H SER 44 HN SER 44 -5.562 7.895 6.323 338 HA SER 44 HA SER 44 -7.779 7.618 8.061 339 1HB SER 44 HB2 SER 44 -7.537 9.355 5.593 340 2HB SER 44 HB1 SER 44 -8.769 9.523 6.833 341 HG SER 44 HG SER 44 -7.039 10.916 7.253 342 H LEU 45 HN LEU 45 -7.449 6.846 4.613 343 HA LEU 45 HA LEU 45 -10.208 6.322 4.110 344 1HB LEU 45 HB2 LEU 45 -7.679 5.310 2.826 345 2HB LEU 45 HB1 LEU 45 -9.262 4.843 2.232 346 HG LEU 45 HG LEU 45 -8.588 7.767 2.632 347 1HD1 LEU 45 HD13 LEU 45 -6.813 6.773 1.192 348 2HD1 LEU 45 HD12 LEU 45 -8.063 6.148 0.118 349 3HD1 LEU 45 HD11 LEU 45 -7.846 7.889 0.301 350 1HD2 LEU 45 HD21 LEU 45 -10.525 6.213 0.888 351 2HD2 LEU 45 HD23 LEU 45 -10.910 7.335 2.193 352 3HD2 LEU 45 HD22 LEU 45 -10.217 7.937 0.693 353 H SER 46 HN SER 46 -7.791 4.403 5.746 354 HA SER 46 HA SER 46 -8.826 1.809 5.399 355 1HB SER 46 HB2 SER 46 -7.742 2.987 7.975 356 2HB SER 46 HB1 SER 46 -7.865 1.278 7.595 357 HG SER 46 HG SER 46 -6.311 1.486 6.081 358 H GLU 47 HN GLU 47 -9.971 4.425 7.483 359 HA GLU 47 HA GLU 47 -12.077 2.702 8.632 360 1HB GLU 47 HB2 GLU 47 -11.440 5.665 8.901 361 2HB GLU 47 HB1 GLU 47 -12.804 4.882 9.702 362 1HG GLU 47 HG2 GLU 47 -11.011 4.894 11.295 363 2HG GLU 47 HG1 GLU 47 -11.128 3.237 10.695 364 H LYS 48 HN LYS 48 -11.605 4.678 5.841 365 HA LYS 48 HA LYS 48 -14.446 5.329 5.514 366 1HB LYS 48 HB2 LYS 48 -12.629 6.752 4.499 367 2HB LYS 48 HB1 LYS 48 -12.258 5.409 3.410 368 1HG LYS 48 HG2 LYS 48 -14.620 5.442 2.613 369 2HG LYS 48 HG1 LYS 48 -14.923 6.846 3.634 370 1HD LYS 48 HD2 LYS 48 -13.127 8.069 2.405 371 2HD LYS 48 HD1 LYS 48 -12.956 6.677 1.340 372 1HE LYS 48 HE2 LYS 48 -15.267 6.892 0.604 373 2HE LYS 48 HE1 LYS 48 -15.534 8.210 1.742 374 1HZ LYS 48 HZ2 LYS 48 -13.641 9.363 0.558 375 2HZ LYS 48 HZ1 LYS 48 -13.806 8.191 -0.660 376 3HZ LYS 48 HZ3 LYS 48 -15.098 9.229 -0.304 377 H TYR 49 HN TYR 49 -12.119 2.947 4.392 378 HA TYR 49 HA TYR 49 -14.402 1.285 3.350 379 1HB TYR 49 HB2 TYR 49 -11.560 1.463 2.273 380 2HB TYR 49 HB1 TYR 49 -12.775 0.307 1.729 381 HD1 TYR 49 HD2 TYR 49 -15.073 1.325 0.970 382 HD2 TYR 49 HD1 TYR 49 -11.403 3.548 1.195 383 HE1 TYR 49 HE2 TYR 49 -16.002 3.017 -0.585 384 HE2 TYR 49 HE1 TYR 49 -12.331 5.239 -0.364 385 HH TYR 49 HH TYR 49 -14.985 4.731 -2.260 386 H SER 50 HN SER 50 -14.248 0.788 5.752 387 HA SER 50 HA SER 50 -12.030 -0.680 6.817 388 1HB SER 50 HB2 SER 50 -13.506 -1.203 8.632 389 2HB SER 50 HB1 SER 50 -13.924 0.418 8.110 390 HG SER 50 HG SER 50 -15.639 -0.452 6.928 391 H ASN 51 HN ASN 51 -14.381 -1.416 4.506 392 HA ASN 51 HA ASN 51 -14.408 -4.312 4.959 393 1HB ASN 51 HB2 ASN 51 -16.336 -3.019 3.934 394 2HB ASN 51 HB1 ASN 51 -15.328 -2.801 2.503 395 1HD2 ASN 51 HD22 ASN 51 -16.105 -5.984 1.253 396 2HD2 ASN 51 HD21 ASN 51 -15.549 -4.409 0.956 397 H VAL 52 HN VAL 52 -12.227 -2.144 3.799 398 HA VAL 52 HA VAL 52 -10.927 -4.155 2.010 399 HB VAL 52 HB VAL 52 -10.911 -1.122 1.921 400 1HG1 VAL 52 HG12 VAL 52 -8.975 -3.131 0.808 401 2HG1 VAL 52 HG11 VAL 52 -9.375 -1.727 -0.182 402 3HG1 VAL 52 HG13 VAL 52 -8.677 -1.510 1.420 403 1HG2 VAL 52 HG23 VAL 52 -11.766 -3.310 0.004 404 2HG2 VAL 52 HG22 VAL 52 -12.789 -2.089 0.761 405 3HG2 VAL 52 HG21 VAL 52 -11.614 -1.617 -0.466 406 H ILE 53 HN ILE 53 -8.764 -4.620 2.505 407 HA ILE 53 HA ILE 53 -7.876 -3.628 5.183 408 HB ILE 53 HB ILE 53 -6.669 -5.826 3.482 409 1HG1 ILE 53 HG12 ILE 53 -8.996 -6.408 3.850 410 2HG1 ILE 53 HG11 ILE 53 -8.016 -7.364 4.958 411 1HG2 ILE 53 HG23 ILE 53 -5.452 -4.732 5.518 412 2HG2 ILE 53 HG22 ILE 53 -6.628 -5.606 6.491 413 3HG2 ILE 53 HG21 ILE 53 -5.534 -6.489 5.430 414 1HD1 ILE 53 HD12 ILE 53 -8.452 -5.436 6.654 415 2HD1 ILE 53 HD11 ILE 53 -9.760 -4.980 5.567 416 3HD1 ILE 53 HD13 ILE 53 -9.761 -6.571 6.326 417 H PHE 54 HN PHE 54 -6.375 -2.022 5.258 418 HA PHE 54 HA PHE 54 -4.735 -1.424 2.828 419 1HB PHE 54 HB2 PHE 54 -5.339 0.169 5.334 420 2HB PHE 54 HB1 PHE 54 -4.218 0.706 4.087 421 HD1 PHE 54 HD1 PHE 54 -7.735 -0.465 4.575 422 HD2 PHE 54 HD2 PHE 54 -5.028 1.885 2.221 423 HE1 PHE 54 HE1 PHE 54 -9.644 0.435 3.272 424 HE2 PHE 54 HE2 PHE 54 -6.933 2.777 0.909 425 HZ PHE 54 HZ PHE 54 -9.240 2.046 1.435 426 H LEU 55 HN LEU 55 -2.537 -1.810 2.834 427 HA LEU 55 HA LEU 55 -1.222 -2.443 5.462 428 1HB LEU 55 HB2 LEU 55 -0.618 -3.574 2.714 429 2HB LEU 55 HB1 LEU 55 0.480 -3.731 4.084 430 HG LEU 55 HG LEU 55 -1.244 -4.933 5.342 431 1HD1 LEU 55 HD11 LEU 55 -2.966 -4.148 3.034 432 2HD1 LEU 55 HD13 LEU 55 -3.260 -5.720 3.782 433 3HD1 LEU 55 HD12 LEU 55 -3.340 -4.265 4.754 434 1HD2 LEU 55 HD23 LEU 55 -0.431 -5.918 2.621 435 2HD2 LEU 55 HD22 LEU 55 0.095 -6.457 4.218 436 3HD2 LEU 55 HD21 LEU 55 -1.497 -6.911 3.618 437 H GLU 56 HN GLU 56 0.672 -1.428 5.921 438 HA GLU 56 HA GLU 56 1.605 0.667 3.980 439 1HB GLU 56 HB2 GLU 56 0.718 1.412 6.258 440 2HB GLU 56 HB1 GLU 56 2.089 0.566 6.978 441 1HG GLU 56 HG2 GLU 56 3.624 1.946 5.569 442 2HG GLU 56 HG1 GLU 56 2.223 2.854 4.989 443 H VAL 57 HN VAL 57 3.654 0.345 3.183 444 HA VAL 57 HA VAL 57 5.401 -1.664 4.586 445 HB VAL 57 HB VAL 57 5.077 -1.307 1.598 446 1HG1 VAL 57 HG12 VAL 57 6.604 -3.273 3.323 447 2HG1 VAL 57 HG11 VAL 57 6.351 -3.475 1.592 448 3HG1 VAL 57 HG13 VAL 57 7.287 -2.108 2.192 449 1HG2 VAL 57 HG22 VAL 57 4.001 -3.375 3.531 450 2HG2 VAL 57 HG21 VAL 57 3.060 -2.250 2.559 451 3HG2 VAL 57 HG23 VAL 57 3.961 -3.548 1.776 452 H ASP 58 HN ASP 58 7.465 -1.066 4.882 453 HA ASP 58 HA ASP 58 8.344 1.617 3.935 454 1HB ASP 58 HB2 ASP 58 8.466 0.859 6.372 455 2HB ASP 58 HB1 ASP 58 9.716 -0.277 5.851 456 H VAL 59 HN VAL 59 9.599 1.630 2.088 457 HA VAL 59 HA VAL 59 10.717 -0.823 1.008 458 HB VAL 59 HB VAL 59 11.894 0.715 -0.571 459 1HG1 VAL 59 HG12 VAL 59 8.968 1.323 -0.044 460 2HG1 VAL 59 HG11 VAL 59 9.821 1.727 -1.531 461 3HG1 VAL 59 HG13 VAL 59 9.603 0.039 -1.075 462 1HG2 VAL 59 HG21 VAL 59 10.658 2.833 1.207 463 2HG2 VAL 59 HG23 VAL 59 12.378 2.551 0.943 464 3HG2 VAL 59 HG22 VAL 59 11.372 3.157 -0.373 465 H ASP 60 HN ASP 60 11.707 1.450 3.402 466 HA ASP 60 HA ASP 60 14.570 0.704 3.159 467 1HB ASP 60 HB2 ASP 60 13.025 2.763 4.713 468 2HB ASP 60 HB1 ASP 60 14.673 2.361 5.172 469 H ASP 61 HN ASP 61 11.914 0.317 5.554 470 HA ASP 61 HA ASP 61 13.753 -1.391 7.190 471 1HB ASP 61 HB2 ASP 61 10.913 -0.481 7.782 472 2HB ASP 61 HB1 ASP 61 11.967 -1.374 8.875 473 H ALA 62 HN ALA 62 11.306 -1.557 4.836 474 HA ALA 62 HA ALA 62 11.011 -4.505 5.267 475 1HB ALA 62 HB1 ALA 62 8.953 -2.777 5.561 476 2HB ALA 62 HB3 ALA 62 8.862 -3.006 3.813 477 3HB ALA 62 HB2 ALA 62 8.729 -4.395 4.895 478 H GLN 63 HN GLN 63 13.059 -3.268 3.784 479 HA GLN 63 HA GLN 63 12.532 -2.927 1.020 480 1HB GLN 63 HB2 GLN 63 14.916 -3.232 0.691 481 2HB GLN 63 HB1 GLN 63 14.669 -2.324 2.181 482 1HG GLN 63 HG2 GLN 63 14.786 -4.545 3.417 483 2HG GLN 63 HG1 GLN 63 15.346 -5.257 1.901 484 1HE2 GLN 63 HE22 GLN 63 18.228 -3.916 4.047 485 2HE2 GLN 63 HE21 GLN 63 16.870 -4.833 4.487 486 H ASP 64 HN ASP 64 12.780 -5.852 2.923 487 HA ASP 64 HA ASP 64 13.389 -7.630 0.776 488 1HB ASP 64 HB2 ASP 64 12.284 -9.368 2.257 489 2HB ASP 64 HB1 ASP 64 13.577 -8.451 3.022 490 H VAL 65 HN VAL 65 10.356 -6.263 1.983 491 HA VAL 65 HA VAL 65 8.647 -7.845 0.290 492 HB VAL 65 HB VAL 65 8.046 -5.054 1.301 493 1HG1 VAL 65 HG11 VAL 65 6.473 -6.247 -0.275 494 2HG1 VAL 65 HG13 VAL 65 6.251 -7.469 0.978 495 3HG1 VAL 65 HG12 VAL 65 5.761 -5.800 1.278 496 1HG2 VAL 65 HG22 VAL 65 8.195 -7.654 2.812 497 2HG2 VAL 65 HG21 VAL 65 8.802 -6.070 3.277 498 3HG2 VAL 65 HG23 VAL 65 7.070 -6.396 3.314 499 H ALA 66 HN ALA 66 10.052 -4.580 0.015 500 HA ALA 66 HA ALA 66 8.831 -4.031 -2.537 501 1HB ALA 66 HB2 ALA 66 9.841 -2.410 -0.717 502 2HB ALA 66 HB1 ALA 66 11.322 -2.616 -1.652 503 3HB ALA 66 HB3 ALA 66 9.872 -1.967 -2.422 504 H SER 67 HN SER 67 12.010 -5.293 -1.592 505 HA SER 67 HA SER 67 13.240 -5.107 -4.153 506 1HB SER 67 HB2 SER 67 14.774 -6.837 -3.342 507 2HB SER 67 HB1 SER 67 14.451 -5.674 -2.059 508 HG SER 67 HG SER 67 12.847 -7.968 -2.347 509 H GLU 68 HN GLU 68 11.060 -7.533 -2.787 510 HA GLU 68 HA GLU 68 11.334 -9.468 -4.885 511 1HB GLU 68 HB2 GLU 68 10.210 -9.858 -2.655 512 2HB GLU 68 HB1 GLU 68 8.845 -8.907 -3.241 513 1HG GLU 68 HG2 GLU 68 9.900 -11.317 -4.744 514 2HG GLU 68 HG1 GLU 68 8.648 -11.451 -3.512 515 H ALA 69 HN ALA 69 9.308 -6.590 -4.513 516 HA ALA 69 HA ALA 69 7.924 -7.115 -7.059 517 1HB ALA 69 HB2 ALA 69 7.736 -4.923 -4.995 518 2HB ALA 69 HB1 ALA 69 6.866 -4.850 -6.528 519 3HB ALA 69 HB3 ALA 69 6.537 -6.156 -5.389 520 H GLU 70 HN GLU 70 10.901 -5.838 -6.292 521 HA GLU 70 HA GLU 70 12.394 -4.461 -7.466 522 1HB GLU 70 HB2 GLU 70 10.523 -5.079 -9.770 523 2HB GLU 70 HB1 GLU 70 12.131 -4.392 -9.918 524 1HG GLU 70 HG2 GLU 70 11.532 -7.072 -8.653 525 2HG GLU 70 HG1 GLU 70 12.087 -6.843 -10.312 526 H VAL 71 HN VAL 71 10.598 -2.961 -5.996 527 HA VAL 71 HA VAL 71 9.078 -1.116 -7.573 528 HB VAL 71 HB VAL 71 10.397 -0.539 -4.901 529 1HG1 VAL 71 HG11 VAL 71 8.025 0.610 -6.406 530 2HG1 VAL 71 HG13 VAL 71 8.340 0.946 -4.707 531 3HG1 VAL 71 HG12 VAL 71 9.502 1.449 -5.938 532 1HG2 VAL 71 HG22 VAL 71 7.838 -2.000 -5.627 533 2HG2 VAL 71 HG21 VAL 71 9.138 -2.550 -4.573 534 3HG2 VAL 71 HG23 VAL 71 8.066 -1.254 -4.046 535 H LYS 72 HN LYS 72 9.718 0.634 -8.716 536 HA LYS 72 HA LYS 72 12.627 1.258 -8.771 537 1HB LYS 72 HB2 LYS 72 10.425 1.856 -10.755 538 2HB LYS 72 HB1 LYS 72 12.133 2.207 -10.992 539 1HG LYS 72 HG2 LYS 72 11.241 -0.618 -10.361 540 2HG LYS 72 HG1 LYS 72 11.156 -0.007 -12.011 541 1HD LYS 72 HD2 LYS 72 13.592 0.590 -11.849 542 2HD LYS 72 HD1 LYS 72 13.632 -0.208 -10.275 543 1HE LYS 72 HE2 LYS 72 12.845 -2.310 -11.328 544 2HE LYS 72 HE1 LYS 72 12.845 -1.511 -12.900 545 1HZ LYS 72 HZ3 LYS 72 15.293 -0.969 -12.232 546 2HZ LYS 72 HZ2 LYS 72 15.109 -2.329 -11.226 547 3HZ LYS 72 HZ1 LYS 72 14.896 -2.476 -12.906 548 H ALA 73 HN ALA 73 9.641 2.538 -7.667 549 HA ALA 73 HA ALA 73 10.956 5.016 -6.866 550 1HB ALA 73 HB2 ALA 73 10.136 5.253 -9.344 551 2HB ALA 73 HB1 ALA 73 8.542 5.444 -8.605 552 3HB ALA 73 HB3 ALA 73 9.847 6.568 -8.203 553 H THR 74 HN THR 74 9.658 6.302 -5.417 554 HA THR 74 HA THR 74 7.158 4.999 -4.406 555 HB THR 74 HB THR 74 7.887 5.399 -2.119 556 HG1 THR 74 HG1 THR 74 9.117 7.361 -3.052 557 1HG2 THR 74 HG23 THR 74 8.810 3.380 -3.198 558 2HG2 THR 74 HG22 THR 74 10.221 4.315 -3.671 559 3HG2 THR 74 HG21 THR 74 9.890 4.034 -1.967 560 HA PRO 75 HA PRO 75 5.779 5.712 -2.570 561 1HB PRO 75 HB2 PRO 75 3.215 6.732 -2.634 562 2HB PRO 75 HB1 PRO 75 4.453 7.224 -1.472 563 1HG PRO 75 HG2 PRO 75 3.426 8.684 -3.851 564 2HG PRO 75 HG1 PRO 75 4.109 9.322 -2.351 565 1HD PRO 75 HD2 PRO 75 5.456 9.133 -4.838 566 2HD PRO 75 HD1 PRO 75 6.228 9.431 -3.255 567 H THR 76 HN THR 76 4.812 3.836 -3.238 568 HA THR 76 HA THR 76 3.391 3.838 -5.876 569 HB THR 76 HB THR 76 5.300 1.715 -4.863 570 HG1 THR 76 HG1 THR 76 6.182 3.714 -5.731 571 1HG2 THR 76 HG23 THR 76 3.428 1.876 -7.219 572 2HG2 THR 76 HG22 THR 76 4.912 0.928 -7.324 573 3HG2 THR 76 HG21 THR 76 3.700 0.532 -6.108 574 H PHE 77 HN PHE 77 1.526 2.739 -5.874 575 HA PHE 77 HA PHE 77 0.704 1.348 -3.346 576 1HB PHE 77 HB2 PHE 77 -0.996 2.742 -5.444 577 2HB PHE 77 HB1 PHE 77 -1.601 1.975 -3.972 578 HD1 PHE 77 HD1 PHE 77 -1.116 2.953 -1.749 579 HD2 PHE 77 HD2 PHE 77 0.182 4.855 -5.379 580 HE1 PHE 77 HE1 PHE 77 -0.665 5.046 -0.491 581 HE2 PHE 77 HE2 PHE 77 0.640 6.950 -4.120 582 HZ PHE 77 HZ PHE 77 0.214 7.047 -1.676 583 H GLN 78 HN GLN 78 0.229 -0.807 -3.550 584 HA GLN 78 HA GLN 78 -0.230 -1.886 -6.318 585 1HB GLN 78 HB2 GLN 78 1.259 -3.134 -4.000 586 2HB GLN 78 HB1 GLN 78 0.736 -4.039 -5.420 587 1HG GLN 78 HG2 GLN 78 1.998 -2.439 -6.848 588 2HG GLN 78 HG1 GLN 78 2.614 -1.658 -5.394 589 1HE2 GLN 78 HE22 GLN 78 5.249 -4.062 -6.231 590 2HE2 GLN 78 HE21 GLN 78 4.680 -2.548 -6.750 591 H PHE 79 HN PHE 79 -1.937 -3.220 -6.572 592 HA PHE 79 HA PHE 79 -3.728 -3.544 -4.183 593 1HB PHE 79 HB2 PHE 79 -4.313 -3.481 -7.155 594 2HB PHE 79 HB1 PHE 79 -5.520 -3.820 -5.905 595 HD1 PHE 79 HD2 PHE 79 -3.121 -1.297 -7.174 596 HD2 PHE 79 HD1 PHE 79 -6.365 -2.088 -4.490 597 HE1 PHE 79 HE2 PHE 79 -3.296 1.120 -6.681 598 HE2 PHE 79 HE1 PHE 79 -6.534 0.322 -3.981 599 HZ PHE 79 HZ PHE 79 -5.008 1.939 -5.080 600 H PHE 80 HN PHE 80 -4.232 -5.501 -3.476 601 HA PHE 80 HA PHE 80 -3.594 -7.872 -5.165 602 1HB PHE 80 HB2 PHE 80 -2.977 -7.434 -2.243 603 2HB PHE 80 HB1 PHE 80 -2.980 -9.028 -2.989 604 HD1 PHE 80 HD1 PHE 80 -1.302 -9.649 -4.658 605 HD2 PHE 80 HD2 PHE 80 -1.238 -5.769 -2.792 606 HE1 PHE 80 HE1 PHE 80 1.022 -9.310 -5.438 607 HE2 PHE 80 HE2 PHE 80 1.085 -5.440 -3.581 608 HZ PHE 80 HZ PHE 80 2.217 -7.207 -4.897 609 H LYS 81 HN LYS 81 -5.053 -9.586 -4.985 610 HA LYS 81 HA LYS 81 -7.294 -9.339 -3.059 611 1HB LYS 81 HB2 LYS 81 -7.791 -8.125 -5.326 612 2HB LYS 81 HB1 LYS 81 -7.881 -9.753 -6.001 613 1HG LYS 81 HG2 LYS 81 -9.580 -10.327 -4.258 614 2HG LYS 81 HG1 LYS 81 -9.540 -8.652 -3.720 615 1HD LYS 81 HD2 LYS 81 -10.137 -7.969 -6.075 616 2HD LYS 81 HD1 LYS 81 -10.406 -9.675 -6.432 617 1HE LYS 81 HE2 LYS 81 -11.790 -8.181 -4.189 618 2HE LYS 81 HE1 LYS 81 -12.500 -8.440 -5.781 619 1HZ LYS 81 HZ1 LYS 81 -12.142 -10.856 -5.415 620 2HZ LYS 81 HZ3 LYS 81 -11.692 -10.506 -3.818 621 3HZ LYS 81 HZ2 LYS 81 -13.265 -10.151 -4.352 622 H LYS 82 HN LYS 82 -7.766 -11.397 -2.345 623 HA LYS 82 HA LYS 82 -7.626 -13.731 -2.166 624 1HB LYS 82 HB2 LYS 82 -7.802 -13.468 -5.187 625 2HB LYS 82 HB1 LYS 82 -7.919 -14.993 -4.319 626 1HG LYS 82 HG2 LYS 82 -9.861 -14.128 -3.068 627 2HG LYS 82 HG1 LYS 82 -9.760 -12.617 -3.965 628 1HD LYS 82 HD2 LYS 82 -10.040 -13.908 -6.088 629 2HD LYS 82 HD1 LYS 82 -10.275 -15.366 -5.123 630 1HE LYS 82 HE2 LYS 82 -11.960 -12.870 -4.816 631 2HE LYS 82 HE1 LYS 82 -12.424 -14.245 -5.820 632 1HZ LYS 82 HZ2 LYS 82 -11.586 -15.044 -3.212 633 2HZ LYS 82 HZ1 LYS 82 -12.895 -13.966 -3.145 634 3HZ LYS 82 HZ3 LYS 82 -13.025 -15.401 -4.037 635 H GLY 83 HN GLY 83 -5.108 -12.114 -2.430 636 1HA GLY 83 HA2 GLY 83 -2.843 -12.760 -2.271 637 2HA GLY 83 HA1 GLY 83 -3.310 -14.385 -2.749 638 H GLN 84 HN GLN 84 -4.472 -11.924 -4.851 639 HA GLN 84 HA GLN 84 -2.214 -12.446 -6.755 640 1HB GLN 84 HB2 GLN 84 -5.183 -12.302 -7.305 641 2HB GLN 84 HB1 GLN 84 -3.953 -12.289 -8.567 642 1HG GLN 84 HG2 GLN 84 -3.093 -14.462 -7.710 643 2HG GLN 84 HG1 GLN 84 -4.406 -14.488 -6.530 644 1HE2 GLN 84 HE22 GLN 84 -6.819 -14.522 -9.432 645 2HE2 GLN 84 HE21 GLN 84 -6.456 -13.370 -8.237 646 H LYS 85 HN LYS 85 -1.457 -10.672 -7.924 647 HA LYS 85 HA LYS 85 -2.217 -8.015 -6.945 648 1HB LYS 85 HB2 LYS 85 0.121 -8.669 -7.535 649 2HB LYS 85 HB1 LYS 85 -0.368 -8.754 -9.226 650 1HG LYS 85 HG2 LYS 85 -1.163 -6.345 -8.997 651 2HG LYS 85 HG1 LYS 85 -0.367 -6.309 -7.430 652 1HD LYS 85 HD2 LYS 85 1.077 -7.087 -9.969 653 2HD LYS 85 HD1 LYS 85 0.991 -5.426 -9.399 654 1HE LYS 85 HE2 LYS 85 2.184 -7.772 -7.895 655 2HE LYS 85 HE1 LYS 85 3.068 -6.439 -8.624 656 1HZ LYS 85 HZ3 LYS 85 1.835 -4.919 -7.156 657 2HZ LYS 85 HZ2 LYS 85 1.126 -6.260 -6.390 658 3HZ LYS 85 HZ1 LYS 85 2.805 -6.017 -6.304 659 H VAL 86 HN VAL 86 -3.748 -6.745 -7.827 660 HA VAL 86 HA VAL 86 -4.660 -7.304 -10.629 661 HB VAL 86 HB VAL 86 -6.913 -6.497 -9.846 662 1HG1 VAL 86 HG13 VAL 86 -6.271 -8.929 -10.041 663 2HG1 VAL 86 HG12 VAL 86 -5.891 -8.905 -8.316 664 3HG1 VAL 86 HG11 VAL 86 -7.542 -8.611 -8.859 665 1HG2 VAL 86 HG22 VAL 86 -5.974 -5.322 -7.810 666 2HG2 VAL 86 HG21 VAL 86 -7.357 -6.358 -7.472 667 3HG2 VAL 86 HG23 VAL 86 -5.729 -6.910 -7.085 668 H GLY 87 HN GLY 87 -2.847 -5.148 -9.050 669 1HA GLY 87 HA2 GLY 87 -3.388 -3.039 -10.918 670 2HA GLY 87 HA1 GLY 87 -4.168 -2.651 -9.390 671 H GLU 88 HN GLU 88 -2.031 -1.221 -10.671 672 HA GLU 88 HA GLU 88 -0.255 -0.887 -8.412 673 1HB GLU 88 HB2 GLU 88 0.982 -2.716 -9.213 674 2HB GLU 88 HB1 GLU 88 0.701 -2.293 -10.895 675 1HG GLU 88 HG2 GLU 88 3.031 -1.853 -10.249 676 2HG GLU 88 HG1 GLU 88 2.230 -0.339 -10.635 677 H PHE 89 HN PHE 89 0.514 1.200 -8.403 678 HA PHE 89 HA PHE 89 1.006 2.654 -10.862 679 1HB PHE 89 HB2 PHE 89 -0.739 4.221 -10.863 680 2HB PHE 89 HB1 PHE 89 -1.553 2.696 -10.558 681 HD1 PHE 89 HD1 PHE 89 -0.144 5.709 -8.873 682 HD2 PHE 89 HD2 PHE 89 -2.861 2.400 -8.596 683 HE1 PHE 89 HE1 PHE 89 -1.117 6.686 -6.809 684 HE2 PHE 89 HE2 PHE 89 -3.838 3.376 -6.530 685 HZ PHE 89 HZ PHE 89 -2.970 5.525 -5.645 686 H SER 90 HN SER 90 1.855 4.805 -10.461 687 HA SER 90 HA SER 90 2.822 5.219 -7.653 688 1HB SER 90 HB2 SER 90 4.956 5.998 -8.606 689 2HB SER 90 HB1 SER 90 4.643 4.316 -9.031 690 HG SER 90 HG SER 90 4.506 6.645 -10.602 691 H GLY 91 HN GLY 91 3.435 7.434 -7.181 692 1HA GLY 91 HA2 GLY 91 3.483 9.786 -8.151 693 2HA GLY 91 HA1 GLY 91 1.894 9.433 -8.819 694 H ALA 92 HN ALA 92 2.873 11.413 -6.712 695 HA ALA 92 HA ALA 92 1.653 10.532 -4.224 696 1HB ALA 92 HB2 ALA 92 2.700 13.150 -5.290 697 2HB ALA 92 HB1 ALA 92 1.855 13.084 -3.745 698 3HB ALA 92 HB3 ALA 92 3.341 12.163 -3.980 699 H ASN 93 HN ASN 93 -0.388 9.907 -5.666 700 HA ASN 93 HA ASN 93 -2.294 12.227 -5.647 701 1HB ASN 93 HB2 ASN 93 -1.759 11.242 -7.925 702 2HB ASN 93 HB1 ASN 93 -2.518 9.750 -7.363 703 1HD2 ASN 93 HD22 ASN 93 -5.394 12.465 -6.862 704 2HD2 ASN 93 HD21 ASN 93 -4.096 12.244 -5.786 705 H LYS 94 HN LYS 94 -3.136 11.870 -3.575 706 HA LYS 94 HA LYS 94 -3.741 9.247 -2.553 707 1HB LYS 94 HB2 LYS 94 -5.098 10.550 -0.883 708 2HB LYS 94 HB1 LYS 94 -3.409 11.030 -0.999 709 1HG LYS 94 HG2 LYS 94 -5.112 12.520 -2.888 710 2HG LYS 94 HG1 LYS 94 -5.641 12.737 -1.226 711 1HD LYS 94 HD2 LYS 94 -3.237 13.310 -0.642 712 2HD LYS 94 HD1 LYS 94 -2.901 13.323 -2.379 713 1HE LYS 94 HE2 LYS 94 -4.643 15.020 -2.715 714 2HE LYS 94 HE1 LYS 94 -5.026 14.981 -0.994 715 1HZ LYS 94 HZ2 LYS 94 -2.418 15.456 -0.895 716 2HZ LYS 94 HZ1 LYS 94 -2.781 16.215 -2.371 717 3HZ LYS 94 HZ3 LYS 94 -3.582 16.690 -0.953 718 H GLU 95 HN GLU 95 -5.666 11.613 -4.382 719 HA GLU 95 HA GLU 95 -8.213 10.389 -3.925 720 1HB GLU 95 HB2 GLU 95 -7.231 11.984 -6.311 721 2HB GLU 95 HB1 GLU 95 -8.918 11.631 -5.940 722 1HG GLU 95 HG2 GLU 95 -7.085 13.061 -4.006 723 2HG GLU 95 HG1 GLU 95 -8.101 13.911 -5.169 724 H LYS 96 HN LYS 96 -5.599 9.698 -6.136 725 HA LYS 96 HA LYS 96 -6.973 8.074 -8.014 726 1HB LYS 96 HB2 LYS 96 -4.590 8.928 -8.092 727 2HB LYS 96 HB1 LYS 96 -4.163 7.630 -6.997 728 1HG LYS 96 HG2 LYS 96 -4.706 5.947 -8.566 729 2HG LYS 96 HG1 LYS 96 -5.604 7.073 -9.590 730 1HD LYS 96 HD2 LYS 96 -3.483 8.291 -10.062 731 2HD LYS 96 HD1 LYS 96 -2.608 7.088 -9.119 732 1HE LYS 96 HE2 LYS 96 -3.410 5.310 -10.644 733 2HE LYS 96 HE1 LYS 96 -4.267 6.524 -11.596 734 1HZ LYS 96 HZ1 LYS 96 -2.044 7.653 -11.834 735 2HZ LYS 96 HZ3 LYS 96 -1.347 6.235 -11.220 736 3HZ LYS 96 HZ2 LYS 96 -2.227 6.185 -12.670 737 H LEU 97 HN LEU 97 -5.671 7.370 -4.812 738 HA LEU 97 HA LEU 97 -5.856 4.538 -4.862 739 1HB LEU 97 HB2 LEU 97 -6.267 6.559 -2.639 740 2HB LEU 97 HB1 LEU 97 -6.281 4.828 -2.353 741 HG LEU 97 HG LEU 97 -3.959 6.227 -3.681 742 1HD1 LEU 97 HD13 LEU 97 -4.479 5.684 -0.745 743 2HD1 LEU 97 HD12 LEU 97 -2.894 6.108 -1.393 744 3HD1 LEU 97 HD11 LEU 97 -4.229 7.252 -1.506 745 1HD2 LEU 97 HD23 LEU 97 -4.596 3.471 -3.257 746 2HD2 LEU 97 HD22 LEU 97 -3.066 4.134 -3.804 747 3HD2 LEU 97 HD21 LEU 97 -3.336 3.859 -2.091 748 H GLU 98 HN GLU 98 -8.215 7.061 -4.147 749 HA GLU 98 HA GLU 98 -10.320 5.313 -3.296 750 1HB GLU 98 HB2 GLU 98 -10.362 7.769 -2.950 751 2HB GLU 98 HB1 GLU 98 -10.592 7.995 -4.686 752 1HG GLU 98 HG2 GLU 98 -12.699 6.629 -4.542 753 2HG GLU 98 HG1 GLU 98 -12.473 6.546 -2.792 754 H ALA 99 HN ALA 99 -9.542 6.606 -6.528 755 HA ALA 99 HA ALA 99 -11.826 5.392 -7.774 756 1HB ALA 99 HB1 ALA 99 -10.433 7.258 -8.755 757 2HB ALA 99 HB3 ALA 99 -9.193 6.056 -9.113 758 3HB ALA 99 HB2 ALA 99 -10.780 5.941 -9.874 759 H THR 100 HN THR 100 -8.430 4.280 -7.487 760 HA THR 100 HA THR 100 -8.872 1.889 -9.006 761 HB THR 100 HB THR 100 -6.892 2.216 -6.735 762 HG1 THR 100 HG1 THR 100 -6.517 2.851 -9.468 763 1HG2 THR 100 HG22 THR 100 -6.990 0.532 -9.250 764 2HG2 THR 100 HG21 THR 100 -5.554 0.700 -8.242 765 3HG2 THR 100 HG23 THR 100 -7.012 -0.044 -7.584 766 H ILE 101 HN ILE 101 -9.194 2.641 -5.550 767 HA ILE 101 HA ILE 101 -9.862 -0.040 -4.674 768 HB ILE 101 HB ILE 101 -10.585 2.701 -3.561 769 1HG1 ILE 101 HG12 ILE 101 -8.682 0.634 -2.434 770 2HG1 ILE 101 HG11 ILE 101 -8.157 1.862 -3.580 771 1HG2 ILE 101 HG21 ILE 101 -11.131 -0.089 -2.517 772 2HG2 ILE 101 HG23 ILE 101 -11.074 1.313 -1.449 773 3HG2 ILE 101 HG22 ILE 101 -12.279 1.233 -2.736 774 1HD1 ILE 101 HD12 ILE 101 -8.982 3.633 -2.066 775 2HD1 ILE 101 HD11 ILE 101 -9.484 2.399 -0.913 776 3HD1 ILE 101 HD13 ILE 101 -7.774 2.623 -1.274 777 H ASN 102 HN ASN 102 -11.748 2.782 -5.634 778 HA ASN 102 HA ASN 102 -14.343 1.653 -5.404 779 1HB ASN 102 HB2 ASN 102 -13.755 4.100 -5.738 780 2HB ASN 102 HB1 ASN 102 -13.401 3.723 -7.425 781 1HD2 ASN 102 HD22 ASN 102 -17.226 2.691 -6.844 782 2HD2 ASN 102 HD21 ASN 102 -15.935 1.798 -6.208 783 H GLU 103 HN GLU 103 -11.915 1.595 -7.934 784 HA GLU 103 HA GLU 103 -13.538 0.406 -9.983 785 1HB GLU 103 HB2 GLU 103 -11.300 1.608 -10.238 786 2HB GLU 103 HB1 GLU 103 -10.545 0.143 -9.621 787 1HG GLU 103 HG2 GLU 103 -12.408 0.110 -12.007 788 2HG GLU 103 HG1 GLU 103 -10.664 0.321 -12.165 789 H LEU 104 HN LEU 104 -11.386 -0.956 -7.479 790 HA LEU 104 HA LEU 104 -12.062 -3.711 -8.371 791 1HB LEU 104 HB2 LEU 104 -10.073 -2.669 -6.348 792 2HB LEU 104 HB1 LEU 104 -10.302 -4.375 -6.707 793 HG LEU 104 HG LEU 104 -9.549 -2.289 -8.777 794 1HD1 LEU 104 HD12 LEU 104 -7.860 -4.104 -7.058 795 2HD1 LEU 104 HD11 LEU 104 -7.280 -3.491 -8.605 796 3HD1 LEU 104 HD13 LEU 104 -7.696 -2.367 -7.311 797 1HD2 LEU 104 HD21 LEU 104 -9.867 -5.296 -8.787 798 2HD2 LEU 104 HD23 LEU 104 -10.444 -4.120 -9.968 799 3HD2 LEU 104 HD22 LEU 104 -8.734 -4.533 -9.902 800 H VAL 105 HN VAL 105 -13.374 -1.507 -6.193 801 HA VAL 105 HA VAL 105 -13.772 -3.185 -3.893 802 HB VAL 105 HB VAL 105 -14.192 -0.670 -4.032 803 1HG1 VAL 105 HG13 VAL 105 -15.698 -1.032 -6.128 804 2HG1 VAL 105 HG12 VAL 105 -16.958 -1.422 -4.962 805 3HG1 VAL 105 HG11 VAL 105 -16.192 0.168 -4.936 806 1HG2 VAL 105 HG23 VAL 105 -14.865 -2.090 -2.106 807 2HG2 VAL 105 HG22 VAL 105 -15.981 -0.751 -2.369 808 3HG2 VAL 105 HG21 VAL 105 -16.418 -2.378 -2.889 809 HA PRO 59 HA PRO 106 14.438 16.044 -13.805 810 1HB PRO 59 HB2 PRO 106 16.827 15.283 -12.681 811 2HB PRO 59 HB1 PRO 106 16.713 16.126 -14.238 812 1HG PRO 59 HG2 PRO 106 17.336 17.234 -11.533 813 2HG PRO 59 HG1 PRO 106 18.092 17.594 -13.096 814 1HD PRO 59 HD2 PRO 106 16.236 19.243 -11.964 815 2HD PRO 59 HD1 PRO 106 16.399 19.065 -13.728 816 H ALA 60 HN ALA 107 14.718 17.376 -10.600 817 HA ALA 60 HA ALA 107 14.002 14.742 -9.363 818 1HB ALA 60 HB1 ALA 107 15.922 15.953 -8.363 819 2HB ALA 60 HB3 ALA 107 14.878 17.342 -8.056 820 3HB ALA 60 HB2 ALA 107 14.584 15.812 -7.226 821 H THR 61 HN THR 108 11.878 14.428 -8.936 822 HA THR 61 HA THR 108 10.069 16.822 -8.774 823 HB THR 61 HB THR 108 9.356 13.923 -9.322 824 HG1 THR 61 HG1 THR 108 9.078 14.914 -11.497 825 1HG2 THR 61 HG21 THR 108 7.563 15.457 -8.430 826 2HG2 THR 61 HG23 THR 108 7.803 16.469 -9.853 827 3HG2 THR 61 HG22 THR 108 7.229 14.812 -10.035 828 H LEU 62 HN LEU 109 9.089 17.239 -6.849 829 HA LEU 62 HA LEU 109 9.700 15.729 -4.480 830 1HB LEU 62 HB2 LEU 109 7.623 17.860 -5.059 831 2HB LEU 62 HB1 LEU 109 7.881 17.183 -3.451 832 HG LEU 62 HG LEU 109 10.187 18.343 -5.023 833 1HD1 LEU 62 HD11 LEU 109 8.207 19.821 -3.262 834 2HD1 LEU 62 HD13 LEU 109 9.772 20.473 -3.747 835 3HD1 LEU 62 HD12 LEU 109 8.544 20.125 -4.965 836 1HD2 LEU 62 HD23 LEU 109 9.589 17.885 -2.077 837 2HD2 LEU 62 HD22 LEU 109 10.837 17.104 -3.048 838 3HD2 LEU 62 HD21 LEU 109 10.973 18.812 -2.651 839 H LYS 63 HN LYS 110 7.041 15.676 -6.751 840 HA LYS 63 HA LYS 110 5.125 14.262 -5.217 841 1HB LYS 63 HB2 LYS 110 5.685 14.083 -8.194 842 2HB LYS 63 HB1 LYS 110 4.205 13.546 -7.406 843 1HG LYS 63 HG2 LYS 110 5.205 16.389 -7.149 844 2HG LYS 63 HG1 LYS 110 4.162 15.892 -8.474 845 1HD LYS 63 HD2 LYS 110 2.538 15.019 -6.707 846 2HD LYS 63 HD1 LYS 110 3.531 15.862 -5.516 847 1HE LYS 63 HE2 LYS 110 3.161 17.987 -6.625 848 2HE LYS 63 HE1 LYS 110 2.289 17.190 -7.936 849 1HZ LYS 63 HZ3 LYS 110 0.833 16.310 -5.996 850 2HZ LYS 63 HZ2 LYS 110 1.453 17.650 -5.158 851 3HZ LYS 63 HZ1 LYS 110 0.579 17.876 -6.598 852 H ILE 64 HN ILE 111 8.115 13.202 -6.606 853 HA ILE 64 HA ILE 111 7.501 10.374 -5.770 854 HB ILE 64 HB ILE 111 9.061 11.314 -8.207 855 1HG1 ILE 64 HG12 ILE 111 6.639 11.346 -8.558 856 2HG1 ILE 64 HG11 ILE 111 7.358 10.027 -9.462 857 1HG2 ILE 64 HG21 ILE 111 8.710 8.564 -6.997 858 2HG2 ILE 64 HG23 ILE 111 9.240 8.825 -8.660 859 3HG2 ILE 64 HG22 ILE 111 10.226 9.414 -7.319 860 1HD1 ILE 64 HD11 ILE 111 6.785 8.675 -7.198 861 2HD1 ILE 64 HD13 ILE 111 5.555 9.930 -7.088 862 3HD1 ILE 64 HD12 ILE 111 5.611 8.873 -8.492 863 H CYS 65 HN CYS 112 9.189 9.356 -4.618 864 HA CYS 65 HA CYS 112 11.554 11.057 -3.955 865 1HB CYS 65 HB2 CYS 112 10.764 8.466 -2.603 866 2HB CYS 65 HB1 CYS 112 11.875 9.682 -2.007 867 H SER 66 HN SER 113 13.555 10.426 -4.778 868 HA SER 66 HA SER 113 13.589 8.149 -6.639 869 1HB SER 66 HB2 SER 113 15.779 10.088 -5.832 870 2HB SER 66 HB1 SER 113 15.873 8.929 -7.156 871 HG SER 66 HG SER 113 13.643 10.185 -7.548 872 H TRP 67 HN TRP 114 14.764 6.240 -6.411 873 HA TRP 67 HA TRP 114 15.444 5.391 -3.707 874 1HB TRP 67 HB2 TRP 114 15.754 4.043 -6.410 875 2HB TRP 67 HB1 TRP 114 16.213 3.277 -4.887 876 HD1 TRP 67 HD1 TRP 114 13.125 5.239 -6.111 877 HE1 TRP 67 HE1 TRP 114 11.018 4.012 -5.306 878 HE3 TRP 67 HE3 TRP 114 15.244 1.274 -3.703 879 HZ2 TRP 67 HZ2 TRP 114 10.331 1.699 -3.810 880 HZ3 TRP 67 HZ3 TRP 114 13.841 -0.426 -2.600 881 HH2 TRP 67 HH2 TRP 114 11.377 -0.224 -2.661 882 H ASN 68 HN ASN 115 17.074 7.088 -6.146 883 HA ASN 68 HA ASN 115 19.719 6.141 -6.037 884 1HB ASN 68 HB2 ASN 115 18.717 9.010 -6.128 885 2HB ASN 68 HB1 ASN 115 20.394 8.544 -6.404 886 1HD2 ASN 68 HD22 ASN 115 18.268 6.560 -9.179 887 2HD2 ASN 68 HD21 ASN 115 18.263 6.125 -7.540 888 H VAL 69 HN VAL 116 17.781 7.356 -3.507 889 HA VAL 69 HA VAL 116 19.733 8.599 -1.843 890 HB VAL 69 HB VAL 116 18.201 7.903 0.049 891 1HG1 VAL 69 HG13 VAL 116 17.908 9.978 -1.428 892 2HG1 VAL 69 HG12 VAL 116 16.669 9.064 -2.290 893 3HG1 VAL 69 HG11 VAL 116 16.473 9.421 -0.576 894 1HG2 VAL 69 HG23 VAL 116 17.453 5.768 -1.104 895 2HG2 VAL 69 HG22 VAL 116 16.138 6.752 -0.471 896 3HG2 VAL 69 HG21 VAL 116 16.499 6.773 -2.195 897 H ASP 70 HN ASP 117 21.230 7.737 -0.390 898 HA ASP 70 HA ASP 117 22.283 5.136 -0.881 899 1HB ASP 70 HB2 ASP 117 22.588 7.026 1.463 900 2HB ASP 70 HB1 ASP 117 23.458 5.495 1.367 901 H GLY 71 HN GLY 118 20.007 6.320 1.573 902 1HA GLY 71 HA2 GLY 118 19.874 4.061 3.238 903 2HA GLY 71 HA1 GLY 118 18.511 5.131 2.937 No H/Q in entry = 903 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -8.926 -1.712 9.179 2 2H MET 1 HT3 MET 1 -9.814 -1.964 10.601 3 3H MET 1 HT2 MET 1 -9.380 -0.387 10.141 4 HA MET 1 HA MET 1 -7.704 -0.659 11.585 5 1HB MET 1 HB2 MET 1 -8.732 -2.818 12.352 6 2HB MET 1 HB1 MET 1 -7.827 -3.648 11.086 7 1HG MET 1 HG2 MET 1 -5.714 -2.673 12.079 8 2HG MET 1 HG1 MET 1 -6.693 -2.089 13.424 9 1HE MET 1 HE3 MET 1 -8.297 -3.385 14.590 10 2HE MET 1 HE2 MET 1 -8.027 -5.012 15.211 11 3HE MET 1 HE1 MET 1 -6.932 -3.707 15.666 12 H VAL 2 HN VAL 2 -5.486 -0.467 11.176 13 HA VAL 2 HA VAL 2 -4.638 -1.075 8.378 14 HB VAL 2 HB VAL 2 -3.418 0.689 10.525 15 1HG1 VAL 2 HG13 VAL 2 -2.547 -0.002 7.715 16 2HG1 VAL 2 HG12 VAL 2 -2.076 1.517 8.476 17 3HG1 VAL 2 HG11 VAL 2 -1.586 -0.017 9.195 18 1HG2 VAL 2 HG21 VAL 2 -5.100 1.183 8.061 19 2HG2 VAL 2 HG23 VAL 2 -5.387 1.734 9.711 20 3HG2 VAL 2 HG22 VAL 2 -4.088 2.447 8.756 21 H LYS 3 HN LYS 3 -2.622 -2.126 7.972 22 HA LYS 3 HA LYS 3 -1.482 -3.682 10.264 23 1HB LYS 3 HB2 LYS 3 -3.035 -5.040 8.830 24 2HB LYS 3 HB1 LYS 3 -2.008 -4.690 7.445 25 1HG LYS 3 HG2 LYS 3 -1.177 -6.767 8.122 26 2HG LYS 3 HG1 LYS 3 -0.098 -5.667 8.972 27 1HD LYS 3 HD2 LYS 3 -0.707 -7.103 10.696 28 2HD LYS 3 HD1 LYS 3 -1.902 -5.834 10.896 29 1HE LYS 3 HE2 LYS 3 -3.019 -7.992 10.997 30 2HE LYS 3 HE1 LYS 3 -3.501 -7.175 9.517 31 1HZ LYS 3 HZ1 LYS 3 -1.164 -8.932 9.414 32 2HZ LYS 3 HZ3 LYS 3 -2.696 -9.655 9.513 33 3HZ LYS 3 HZ2 LYS 3 -2.333 -8.610 8.223 34 H GLN 4 HN GLN 4 0.675 -3.359 10.409 35 HA GLN 4 HA GLN 4 2.097 -2.125 8.094 36 1HB GLN 4 HB2 GLN 4 2.305 -1.003 10.288 37 2HB GLN 4 HB1 GLN 4 2.969 -2.484 10.980 38 1HG GLN 4 HG2 GLN 4 4.849 -2.385 9.352 39 2HG GLN 4 HG1 GLN 4 4.189 -0.881 8.711 40 1HE2 GLN 4 HE22 GLN 4 6.478 0.570 11.035 41 2HE2 GLN 4 HE21 GLN 4 6.250 0.158 9.405 42 H ILE 5 HN ILE 5 3.326 -3.408 6.848 43 HA ILE 5 HA ILE 5 4.048 -6.134 7.838 44 HB ILE 5 HB ILE 5 4.269 -4.997 5.044 45 1HG1 ILE 5 HG12 ILE 5 1.948 -4.805 5.716 46 2HG1 ILE 5 HG11 ILE 5 2.089 -6.196 4.645 47 1HG2 ILE 5 HG22 ILE 5 4.325 -7.769 6.235 48 2HG2 ILE 5 HG21 ILE 5 4.042 -7.476 4.528 49 3HG2 ILE 5 HG23 ILE 5 5.559 -6.975 5.257 50 1HD1 ILE 5 HD11 ILE 5 2.398 -7.569 6.839 51 2HD1 ILE 5 HD13 ILE 5 1.729 -6.149 7.635 52 3HD1 ILE 5 HD12 ILE 5 0.779 -7.010 6.427 53 H GLU 6 HN GLU 6 6.054 -6.154 8.772 54 HA GLU 6 HA GLU 6 8.135 -4.281 7.807 55 1HB GLU 6 HB2 GLU 6 8.113 -6.203 10.154 56 2HB GLU 6 HB1 GLU 6 9.372 -5.018 9.807 57 1HG GLU 6 HG2 GLU 6 8.037 -3.891 11.372 58 2HG GLU 6 HG1 GLU 6 7.430 -3.284 9.836 59 H SER 7 HN SER 7 7.069 -7.314 6.966 60 HA SER 7 HA SER 7 9.660 -7.915 5.694 61 1HB SER 7 HB2 SER 7 9.792 -10.200 6.620 62 2HB SER 7 HB1 SER 7 9.915 -8.984 7.894 63 HG SER 7 HG SER 7 7.898 -10.805 7.310 64 H LYS 8 HN LYS 8 9.507 -9.648 4.133 65 HA LYS 8 HA LYS 8 7.046 -9.691 2.629 66 1HB LYS 8 HB2 LYS 8 9.429 -10.092 1.763 67 2HB LYS 8 HB1 LYS 8 9.290 -11.702 2.469 68 1HG LYS 8 HG2 LYS 8 7.274 -12.127 1.104 69 2HG LYS 8 HG1 LYS 8 7.440 -10.525 0.387 70 1HD LYS 8 HD2 LYS 8 8.388 -12.272 -1.088 71 2HD LYS 8 HD1 LYS 8 9.620 -11.135 -0.552 72 1HE LYS 8 HE2 LYS 8 10.624 -12.698 0.877 73 2HE LYS 8 HE1 LYS 8 9.156 -13.674 1.000 74 1HZ LYS 8 HZ2 LYS 8 9.478 -14.074 -1.475 75 2HZ LYS 8 HZ1 LYS 8 11.053 -13.473 -1.259 76 3HZ LYS 8 HZ3 LYS 8 10.556 -14.861 -0.422 77 H THR 9 HN THR 9 8.490 -11.743 5.080 78 HA THR 9 HA THR 9 6.897 -14.047 4.725 79 HB THR 9 HB THR 9 7.878 -12.887 7.344 80 HG1 THR 9 HG1 THR 9 9.669 -13.168 6.206 81 1HG2 THR 9 HG21 THR 9 7.166 -15.717 6.525 82 2HG2 THR 9 HG23 THR 9 7.852 -15.247 8.080 83 3HG2 THR 9 HG22 THR 9 6.240 -14.694 7.625 84 H ALA 10 HN ALA 10 6.311 -11.205 6.776 85 HA ALA 10 HA ALA 10 3.672 -12.058 7.592 86 1HB ALA 10 HB2 ALA 10 5.156 -9.424 7.624 87 2HB ALA 10 HB1 ALA 10 3.470 -9.525 8.131 88 3HB ALA 10 HB3 ALA 10 4.708 -10.442 8.988 89 H PHE 11 HN PHE 11 4.952 -10.286 4.833 90 HA PHE 11 HA PHE 11 2.548 -9.096 3.876 91 1HB PHE 11 HB2 PHE 11 4.911 -8.811 2.933 92 2HB PHE 11 HB1 PHE 11 4.709 -10.369 2.163 93 HD1 PHE 11 HD1 PHE 11 2.845 -7.124 2.525 94 HD2 PHE 11 HD2 PHE 11 3.920 -10.410 -0.031 95 HE1 PHE 11 HE1 PHE 11 1.673 -6.042 0.631 96 HE2 PHE 11 HE2 PHE 11 2.743 -9.325 -1.921 97 HZ PHE 11 HZ PHE 11 1.617 -7.144 -1.587 98 H GLN 12 HN GLN 12 3.933 -12.315 3.360 99 HA GLN 12 HA GLN 12 1.882 -13.283 1.602 100 1HB GLN 12 HB2 GLN 12 3.690 -14.741 3.565 101 2HB GLN 12 HB1 GLN 12 2.749 -15.526 2.297 102 1HG GLN 12 HG2 GLN 12 4.864 -13.398 1.831 103 2HG GLN 12 HG1 GLN 12 5.111 -15.130 1.609 104 1HE2 GLN 12 HE22 GLN 12 3.555 -13.047 -1.405 105 2HE2 GLN 12 HE21 GLN 12 4.386 -12.364 -0.093 106 H GLU 13 HN GLU 13 2.302 -13.450 5.128 107 HA GLU 13 HA GLU 13 -0.078 -14.951 5.690 108 1HB GLU 13 HB2 GLU 13 1.512 -12.984 7.379 109 2HB GLU 13 HB1 GLU 13 0.251 -14.030 8.015 110 1HG GLU 13 HG2 GLU 13 2.726 -15.012 6.568 111 2HG GLU 13 HG1 GLU 13 2.540 -14.986 8.322 112 H ALA 14 HN ALA 14 0.532 -11.490 5.341 113 HA ALA 14 HA ALA 14 -2.053 -10.666 6.289 114 1HB ALA 14 HB1 ALA 14 0.068 -9.230 5.944 115 2HB ALA 14 HB3 ALA 14 -0.418 -9.149 4.252 116 3HB ALA 14 HB2 ALA 14 -1.479 -8.506 5.506 117 H LEU 15 HN LEU 15 -0.766 -11.398 3.052 118 HA LEU 15 HA LEU 15 -3.100 -10.683 1.588 119 1HB LEU 15 HB2 LEU 15 -0.959 -12.762 1.077 120 2HB LEU 15 HB1 LEU 15 -2.200 -12.347 -0.098 121 HG LEU 15 HG LEU 15 -0.365 -10.290 1.153 122 1HD1 LEU 15 HD12 LEU 15 0.026 -12.042 -1.267 123 2HD1 LEU 15 HD11 LEU 15 0.726 -10.426 -1.223 124 3HD1 LEU 15 HD13 LEU 15 1.180 -11.615 -0.004 125 1HD2 LEU 15 HD22 LEU 15 -2.387 -10.286 -1.089 126 2HD2 LEU 15 HD21 LEU 15 -2.156 -9.111 0.206 127 3HD2 LEU 15 HD23 LEU 15 -1.029 -9.164 -1.146 128 H ASP 16 HN ASP 16 -2.120 -13.691 3.154 129 HA ASP 16 HA ASP 16 -4.394 -15.201 2.283 130 1HB ASP 16 HB2 ASP 16 -2.240 -16.175 3.131 131 2HB ASP 16 HB1 ASP 16 -2.726 -15.692 4.761 132 H ALA 17 HN ALA 17 -3.780 -13.166 5.101 133 HA ALA 17 HA ALA 17 -6.107 -13.987 6.570 134 1HB ALA 17 HB2 ALA 17 -4.126 -12.800 7.543 135 2HB ALA 17 HB1 ALA 17 -4.663 -11.328 6.733 136 3HB ALA 17 HB3 ALA 17 -5.668 -12.067 7.982 137 H ALA 18 HN ALA 18 -5.534 -11.385 4.249 138 HA ALA 18 HA ALA 18 -8.034 -10.043 4.508 139 1HB ALA 18 HB2 ALA 18 -6.259 -10.425 2.085 140 2HB ALA 18 HB1 ALA 18 -7.552 -9.232 2.206 141 3HB ALA 18 HB3 ALA 18 -6.140 -9.115 3.259 142 H GLY 19 HN GLY 19 -7.081 -12.918 2.683 143 1HA GLY 19 HA2 GLY 19 -8.420 -14.558 1.671 144 2HA GLY 19 HA1 GLY 19 -9.799 -13.856 2.521 145 H ASP 20 HN ASP 20 -11.342 -13.236 1.077 146 HA ASP 20 HA ASP 20 -10.561 -12.500 -1.676 147 1HB ASP 20 HB2 ASP 20 -13.307 -12.762 -0.420 148 2HB ASP 20 HB1 ASP 20 -12.962 -12.569 -2.140 149 H LYS 21 HN LYS 21 -10.859 -10.825 1.175 150 HA LYS 21 HA LYS 21 -12.319 -8.494 0.219 151 1HB LYS 21 HB2 LYS 21 -10.408 -8.851 2.554 152 2HB LYS 21 HB1 LYS 21 -11.409 -7.426 2.277 153 1HG LYS 21 HG2 LYS 21 -13.440 -8.866 2.371 154 2HG LYS 21 HG1 LYS 21 -12.415 -10.255 2.715 155 1HD LYS 21 HD2 LYS 21 -13.179 -9.527 4.848 156 2HD LYS 21 HD1 LYS 21 -11.528 -8.925 4.724 157 1HE LYS 21 HE2 LYS 21 -12.253 -6.702 4.295 158 2HE LYS 21 HE1 LYS 21 -13.896 -7.218 3.921 159 1HZ LYS 21 HZ1 LYS 21 -12.930 -7.922 6.565 160 2HZ LYS 21 HZ3 LYS 21 -13.138 -6.261 6.289 161 3HZ LYS 21 HZ2 LYS 21 -14.447 -7.325 6.082 162 H LEU 22 HN LEU 22 -11.355 -6.466 -0.443 163 HA LEU 22 HA LEU 22 -9.072 -6.677 -2.108 164 1HB LEU 22 HB2 LEU 22 -10.687 -4.415 -1.007 165 2HB LEU 22 HB1 LEU 22 -9.102 -4.000 -1.630 166 HG LEU 22 HG LEU 22 -11.228 -5.492 -3.177 167 1HD1 LEU 22 HD12 LEU 22 -10.241 -2.623 -3.286 168 2HD1 LEU 22 HD11 LEU 22 -11.368 -3.344 -4.430 169 3HD1 LEU 22 HD13 LEU 22 -11.832 -3.157 -2.742 170 1HD2 LEU 22 HD23 LEU 22 -8.338 -4.898 -3.645 171 2HD2 LEU 22 HD22 LEU 22 -9.363 -6.139 -4.367 172 3HD2 LEU 22 HD21 LEU 22 -9.403 -4.496 -4.989 173 H VAL 23 HN VAL 23 -6.996 -5.590 -1.881 174 HA VAL 23 HA VAL 23 -6.061 -5.015 0.856 175 HB VAL 23 HB VAL 23 -4.729 -7.100 -0.905 176 1HG1 VAL 23 HG12 VAL 23 -4.004 -5.811 1.734 177 2HG1 VAL 23 HG11 VAL 23 -3.329 -7.360 1.234 178 3HG1 VAL 23 HG13 VAL 23 -3.030 -5.916 0.268 179 1HG2 VAL 23 HG21 VAL 23 -6.334 -7.294 1.652 180 2HG2 VAL 23 HG23 VAL 23 -6.640 -8.112 0.121 181 3HG2 VAL 23 HG22 VAL 23 -5.248 -8.572 1.104 182 H VAL 24 HN VAL 24 -5.222 -3.009 0.496 183 HA VAL 24 HA VAL 24 -3.768 -2.502 -2.071 184 HB VAL 24 HB VAL 24 -4.808 -0.536 -0.001 185 1HG1 VAL 24 HG12 VAL 24 -2.819 0.212 -1.369 186 2HG1 VAL 24 HG11 VAL 24 -3.785 -0.056 -2.819 187 3HG1 VAL 24 HG13 VAL 24 -4.270 1.171 -1.648 188 1HG2 VAL 24 HG22 VAL 24 -5.913 -1.516 -2.635 189 2HG2 VAL 24 HG21 VAL 24 -6.704 -1.514 -1.061 190 3HG2 VAL 24 HG23 VAL 24 -6.425 0.007 -1.910 191 H VAL 25 HN VAL 25 -1.575 -1.807 -1.968 192 HA VAL 25 HA VAL 25 -0.312 -1.933 0.765 193 HB VAL 25 HB VAL 25 0.880 -2.907 -1.845 194 1HG1 VAL 25 HG11 VAL 25 2.434 -2.165 0.019 195 2HG1 VAL 25 HG13 VAL 25 1.725 -3.442 1.008 196 3HG1 VAL 25 HG12 VAL 25 2.606 -3.850 -0.464 197 1HG2 VAL 25 HG22 VAL 25 -1.120 -4.232 -1.064 198 2HG2 VAL 25 HG21 VAL 25 0.380 -5.153 -1.086 199 3HG2 VAL 25 HG23 VAL 25 -0.258 -4.541 0.441 200 H ASP 26 HN ASP 26 0.670 -0.067 1.296 201 HA ASP 26 HA ASP 26 1.436 1.842 -0.881 202 1HB ASP 26 HB2 ASP 26 -0.004 2.570 1.080 203 2HB ASP 26 HB1 ASP 26 1.402 2.325 2.112 204 H PHE 27 HN PHE 27 3.549 1.744 -1.501 205 HA PHE 27 HA PHE 27 5.619 0.679 0.352 206 1HB PHE 27 HB2 PHE 27 5.602 1.312 -2.605 207 2HB PHE 27 HB1 PHE 27 7.084 0.902 -1.737 208 HD1 PHE 27 HD1 PHE 27 7.256 -1.325 -0.562 209 HD2 PHE 27 HD2 PHE 27 4.036 -0.371 -3.244 210 HE1 PHE 27 HE1 PHE 27 6.734 -3.740 -0.798 211 HE2 PHE 27 HE2 PHE 27 3.515 -2.784 -3.461 212 HZ PHE 27 HZ PHE 27 4.860 -4.466 -2.245 213 H SER 28 HN SER 28 4.381 3.434 0.631 214 HA SER 28 HA SER 28 6.224 5.401 -0.267 215 1HB SER 28 HB2 SER 28 4.569 5.428 2.274 216 2HB SER 28 HB1 SER 28 5.318 6.831 1.523 217 HG SER 28 HG SER 28 3.071 5.392 0.781 218 H ALA 29 HN ALA 29 8.065 6.302 0.651 219 HA ALA 29 HA ALA 29 9.515 4.562 2.529 220 1HB ALA 29 HB3 ALA 29 10.203 6.927 0.807 221 2HB ALA 29 HB2 ALA 29 11.254 6.552 2.173 222 3HB ALA 29 HB1 ALA 29 10.992 5.355 0.901 223 H THR 30 HN THR 30 9.493 4.911 4.710 224 HA THR 30 HA THR 30 7.964 7.058 5.840 225 HB THR 30 HB THR 30 8.293 4.957 7.061 226 HG1 THR 30 HG1 THR 30 9.677 6.979 8.463 227 1HG2 THR 30 HG23 THR 30 10.634 4.565 6.207 228 2HG2 THR 30 HG22 THR 30 11.198 5.762 7.372 229 3HG2 THR 30 HG21 THR 30 10.433 4.274 7.934 230 H TRP 31 HN TRP 31 11.393 6.639 5.101 231 HA TRP 31 HA TRP 31 12.242 8.999 6.567 232 1HB TRP 31 HB2 TRP 31 14.340 8.761 5.363 233 2HB TRP 31 HB1 TRP 31 13.795 7.187 5.939 234 HD1 TRP 31 HD1 TRP 31 13.289 5.373 4.214 235 HE1 TRP 31 HE1 TRP 31 13.526 5.207 1.655 236 HE3 TRP 31 HE3 TRP 31 13.988 10.295 3.075 237 HZ2 TRP 31 HZ2 TRP 31 13.925 6.927 -0.576 238 HZ3 TRP 31 HZ3 TRP 31 14.273 11.003 0.715 239 HH2 TRP 31 HH2 TRP 31 14.241 9.326 -1.109 240 H CYS 32 HN CYS 32 10.814 8.518 3.405 241 HA CYS 32 HA CYS 32 11.740 11.112 2.397 242 1HB CYS 32 HB2 CYS 32 11.194 9.095 0.929 243 2HB CYS 32 HB1 CYS 32 9.500 9.398 1.285 244 H GLY 33 HN GLY 33 10.846 12.991 2.929 245 1HA GLY 33 HA2 GLY 33 8.676 13.255 4.731 246 2HA GLY 33 HA1 GLY 33 9.357 14.567 3.781 247 HA PRO 34 HA PRO 34 5.865 14.720 1.122 248 1HB PRO 34 HB2 PRO 34 6.708 13.704 -1.391 249 2HB PRO 34 HB1 PRO 34 6.774 15.387 -0.853 250 1HG PRO 34 HG2 PRO 34 8.965 13.419 -1.090 251 2HG PRO 34 HG1 PRO 34 9.047 15.186 -1.033 252 1HD PRO 34 HD2 PRO 34 9.783 13.472 1.057 253 2HD PRO 34 HD1 PRO 34 9.415 15.199 1.249 254 H ALA 35 HN ALA 35 7.474 11.566 0.961 255 HA ALA 35 HA ALA 35 5.079 10.209 -0.002 256 1HB ALA 35 HB2 ALA 35 7.626 9.491 -0.118 257 2HB ALA 35 HB1 ALA 35 7.272 8.746 1.439 258 3HB ALA 35 HB3 ALA 35 6.361 8.272 0.005 259 H LYS 36 HN LYS 36 6.784 10.200 3.162 260 HA LYS 36 HA LYS 36 4.764 8.750 4.559 261 1HB LYS 36 HB2 LYS 36 7.088 9.244 5.417 262 2HB LYS 36 HB1 LYS 36 6.548 10.892 5.733 263 1HG LYS 36 HG2 LYS 36 4.710 9.959 7.170 264 2HG LYS 36 HG1 LYS 36 5.395 8.355 6.928 265 1HD LYS 36 HD2 LYS 36 6.296 9.101 9.006 266 2HD LYS 36 HD1 LYS 36 7.595 9.302 7.834 267 1HE LYS 36 HE2 LYS 36 7.314 11.655 7.753 268 2HE LYS 36 HE1 LYS 36 5.711 11.577 8.488 269 1HZ LYS 36 HZ1 LYS 36 7.946 10.497 10.022 270 2HZ LYS 36 HZ3 LYS 36 7.870 12.184 9.861 271 3HZ LYS 36 HZ2 LYS 36 6.569 11.338 10.552 272 H MET 37 HN MET 37 5.192 12.206 3.963 273 HA MET 37 HA MET 37 3.136 13.184 5.653 274 1HB MET 37 HB2 MET 37 4.879 14.559 4.457 275 2HB MET 37 HB1 MET 37 3.947 14.356 2.977 276 1HG MET 37 HG2 MET 37 2.690 15.459 5.496 277 2HG MET 37 HG1 MET 37 3.528 16.503 4.350 278 1HE MET 37 HE3 MET 37 0.888 17.110 5.178 279 2HE MET 37 HE2 MET 37 1.294 17.980 3.700 280 3HE MET 37 HE1 MET 37 -0.264 17.167 3.835 281 H ILE 38 HN ILE 38 2.987 11.677 2.510 282 HA ILE 38 HA ILE 38 0.210 12.436 2.024 283 HB ILE 38 HB ILE 38 2.076 10.476 0.662 284 1HG1 ILE 38 HG12 ILE 38 0.902 13.034 -0.432 285 2HG1 ILE 38 HG11 ILE 38 2.373 13.049 0.531 286 1HG2 ILE 38 HG21 ILE 38 -0.835 11.096 0.189 287 2HG2 ILE 38 HG23 ILE 38 0.202 10.693 -1.179 288 3HG2 ILE 38 HG22 ILE 38 -0.006 9.540 0.137 289 1HD1 ILE 38 HD12 ILE 38 3.364 11.386 -1.054 290 2HD1 ILE 38 HD11 ILE 38 1.923 11.548 -2.057 291 3HD1 ILE 38 HD13 ILE 38 2.984 12.934 -1.799 292 H LYS 39 HN LYS 39 1.597 10.216 4.126 293 HA LYS 39 HA LYS 39 -0.070 7.972 3.619 294 1HB LYS 39 HB2 LYS 39 0.646 6.998 5.607 295 2HB LYS 39 HB1 LYS 39 2.011 7.981 5.107 296 1HG LYS 39 HG2 LYS 39 1.326 9.743 6.704 297 2HG LYS 39 HG1 LYS 39 -0.042 8.774 7.214 298 1HD LYS 39 HD2 LYS 39 2.900 8.255 7.657 299 2HD LYS 39 HD1 LYS 39 1.625 8.442 8.857 300 1HE LYS 39 HE2 LYS 39 0.594 6.308 7.824 301 2HE LYS 39 HE1 LYS 39 2.170 6.085 7.058 302 1HZ LYS 39 HZ3 LYS 39 2.237 6.714 9.883 303 2HZ LYS 39 HZ2 LYS 39 1.567 5.202 9.502 304 3HZ LYS 39 HZ1 LYS 39 3.146 5.587 9.003 305 HA PRO 40 HA PRO 40 -2.980 9.903 7.083 306 1HB PRO 40 HB2 PRO 40 -3.510 12.462 5.644 307 2HB PRO 40 HB1 PRO 40 -3.348 12.158 7.385 308 1HG PRO 40 HG2 PRO 40 -1.419 13.423 6.017 309 2HG PRO 40 HG1 PRO 40 -1.027 12.302 7.330 310 1HD PRO 40 HD2 PRO 40 -0.859 11.879 4.379 311 2HD PRO 40 HD1 PRO 40 0.234 11.281 5.641 312 H PHE 41 HN PHE 41 -3.295 10.728 3.594 313 HA PHE 41 HA PHE 41 -6.148 10.225 3.542 314 1HB PHE 41 HB2 PHE 41 -4.037 10.174 1.361 315 2HB PHE 41 HB1 PHE 41 -5.759 9.973 1.068 316 HD1 PHE 41 HD2 PHE 41 -3.306 12.290 2.657 317 HD2 PHE 41 HD1 PHE 41 -7.141 11.833 0.781 318 HE1 PHE 41 HE2 PHE 41 -3.603 14.755 2.669 319 HE2 PHE 41 HE1 PHE 41 -7.443 14.294 0.797 320 HZ PHE 41 HZ PHE 41 -5.673 15.756 1.737 321 H PHE 42 HN PHE 42 -3.284 8.284 2.728 322 HA PHE 42 HA PHE 42 -4.674 5.917 1.939 323 1HB PHE 42 HB2 PHE 42 -2.292 6.292 1.471 324 2HB PHE 42 HB1 PHE 42 -1.930 6.275 3.200 325 HD1 PHE 42 HD1 PHE 42 -3.289 4.207 0.409 326 HD2 PHE 42 HD2 PHE 42 -1.604 4.240 4.360 327 HE1 PHE 42 HE1 PHE 42 -3.135 1.734 0.365 328 HE2 PHE 42 HE2 PHE 42 -1.444 1.769 4.312 329 HZ PHE 42 HZ PHE 42 -2.212 0.512 2.316 330 H HIS 43 HN HIS 43 -3.191 6.789 5.050 331 HA HIS 43 HA HIS 43 -4.199 4.511 6.477 332 1HB HIS 43 HB2 HIS 43 -2.227 5.798 7.207 333 2HB HIS 43 HB1 HIS 43 -3.239 7.215 7.478 334 HD1 HIS 43 HD1 HIS 43 -2.285 3.933 8.963 335 HD2 HIS 43 HD2 HIS 43 -4.987 7.001 9.743 336 HE1 HIS 43 HE1 HIS 43 -3.266 3.455 11.248 337 H SER 44 HN SER 44 -5.415 7.854 6.109 338 HA SER 44 HA SER 44 -7.534 7.648 8.005 339 1HB SER 44 HB2 SER 44 -7.372 9.389 5.532 340 2HB SER 44 HB1 SER 44 -8.577 9.553 6.801 341 HG SER 44 HG SER 44 -7.043 10.186 8.203 342 H LEU 45 HN LEU 45 -7.465 6.854 4.531 343 HA LEU 45 HA LEU 45 -10.269 6.374 4.244 344 1HB LEU 45 HB2 LEU 45 -7.911 5.194 2.764 345 2HB LEU 45 HB1 LEU 45 -9.581 4.950 2.287 346 HG LEU 45 HG LEU 45 -8.512 7.744 2.696 347 1HD1 LEU 45 HD13 LEU 45 -7.005 6.552 1.096 348 2HD1 LEU 45 HD12 LEU 45 -8.412 6.185 0.095 349 3HD1 LEU 45 HD11 LEU 45 -7.913 7.860 0.339 350 1HD2 LEU 45 HD21 LEU 45 -10.816 6.506 1.173 351 2HD2 LEU 45 HD23 LEU 45 -10.868 7.722 2.449 352 3HD2 LEU 45 HD22 LEU 45 -10.261 8.145 0.853 353 H SER 46 HN SER 46 -7.811 4.500 5.815 354 HA SER 46 HA SER 46 -8.830 1.896 5.489 355 1HB SER 46 HB2 SER 46 -7.626 3.093 8.006 356 2HB SER 46 HB1 SER 46 -7.786 1.374 7.661 357 HG SER 46 HG SER 46 -6.538 3.004 5.765 358 H GLU 47 HN GLU 47 -9.872 4.491 7.661 359 HA GLU 47 HA GLU 47 -11.954 2.779 8.842 360 1HB GLU 47 HB2 GLU 47 -11.364 5.752 9.099 361 2HB GLU 47 HB1 GLU 47 -12.649 4.922 9.976 362 1HG GLU 47 HG2 GLU 47 -9.707 4.186 10.128 363 2HG GLU 47 HG1 GLU 47 -10.569 5.145 11.332 364 H LYS 48 HN LYS 48 -11.658 4.816 6.040 365 HA LYS 48 HA LYS 48 -14.524 5.416 5.893 366 1HB LYS 48 HB2 LYS 48 -12.809 6.858 4.764 367 2HB LYS 48 HB1 LYS 48 -12.465 5.522 3.664 368 1HG LYS 48 HG2 LYS 48 -14.869 5.505 2.983 369 2HG LYS 48 HG1 LYS 48 -15.143 6.910 4.008 370 1HD LYS 48 HD2 LYS 48 -13.031 6.920 1.850 371 2HD LYS 48 HD1 LYS 48 -14.707 7.326 1.493 372 1HE LYS 48 HE2 LYS 48 -14.579 9.058 3.348 373 2HE LYS 48 HE1 LYS 48 -12.845 8.747 3.412 374 1HZ LYS 48 HZ1 LYS 48 -12.715 9.304 1.049 375 2HZ LYS 48 HZ3 LYS 48 -14.373 9.665 1.039 376 3HZ LYS 48 HZ2 LYS 48 -13.306 10.602 1.972 377 H TYR 49 HN TYR 49 -12.265 3.048 4.662 378 HA TYR 49 HA TYR 49 -14.576 1.394 3.670 379 1HB TYR 49 HB2 TYR 49 -11.737 1.535 2.577 380 2HB TYR 49 HB1 TYR 49 -12.978 0.405 2.035 381 HD1 TYR 49 HD2 TYR 49 -15.264 1.472 1.329 382 HD2 TYR 49 HD1 TYR 49 -11.541 3.606 1.481 383 HE1 TYR 49 HE2 TYR 49 -16.182 3.184 -0.212 384 HE2 TYR 49 HE1 TYR 49 -12.458 5.318 -0.053 385 HH TYR 49 HH TYR 49 -15.719 5.628 -0.724 386 H SER 50 HN SER 50 -14.370 0.928 6.080 387 HA SER 50 HA SER 50 -12.141 -0.554 7.089 388 1HB SER 50 HB2 SER 50 -13.573 -1.034 8.962 389 2HB SER 50 HB1 SER 50 -13.933 0.602 8.444 390 HG SER 50 HG SER 50 -15.708 -0.228 7.287 391 H ASN 51 HN ASN 51 -14.469 -1.297 4.792 392 HA ASN 51 HA ASN 51 -14.504 -4.204 5.321 393 1HB ASN 51 HB2 ASN 51 -16.508 -2.900 4.398 394 2HB ASN 51 HB1 ASN 51 -15.590 -2.739 2.903 395 1HD2 ASN 51 HD22 ASN 51 -16.493 -5.949 1.793 396 2HD2 ASN 51 HD21 ASN 51 -15.922 -4.396 1.410 397 H VAL 52 HN VAL 52 -12.245 -2.174 4.242 398 HA VAL 52 HA VAL 52 -11.143 -4.120 2.259 399 HB VAL 52 HB VAL 52 -10.968 -1.089 2.201 400 1HG1 VAL 52 HG13 VAL 52 -9.530 -3.238 0.645 401 2HG1 VAL 52 HG12 VAL 52 -9.745 -1.615 -0.009 402 3HG1 VAL 52 HG11 VAL 52 -8.841 -1.850 1.486 403 1HG2 VAL 52 HG22 VAL 52 -12.294 -3.153 0.427 404 2HG2 VAL 52 HG21 VAL 52 -13.063 -1.817 1.284 405 3HG2 VAL 52 HG23 VAL 52 -12.010 -1.492 -0.091 406 H ILE 53 HN ILE 53 -8.860 -4.515 2.521 407 HA ILE 53 HA ILE 53 -7.824 -3.615 5.185 408 HB ILE 53 HB ILE 53 -6.639 -5.710 3.342 409 1HG1 ILE 53 HG12 ILE 53 -8.890 -6.471 3.815 410 2HG1 ILE 53 HG11 ILE 53 -7.798 -7.359 4.873 411 1HG2 ILE 53 HG22 ILE 53 -5.308 -4.676 5.264 412 2HG2 ILE 53 HG21 ILE 53 -6.468 -5.431 6.350 413 3HG2 ILE 53 HG23 ILE 53 -5.467 -6.431 5.296 414 1HD1 ILE 53 HD12 ILE 53 -8.308 -5.425 6.578 415 2HD1 ILE 53 HD11 ILE 53 -9.729 -5.165 5.567 416 3HD1 ILE 53 HD13 ILE 53 -9.482 -6.721 6.355 417 H PHE 54 HN PHE 54 -6.320 -2.002 5.232 418 HA PHE 54 HA PHE 54 -4.796 -1.346 2.723 419 1HB PHE 54 HB2 PHE 54 -5.376 0.273 5.225 420 2HB PHE 54 HB1 PHE 54 -4.329 0.822 3.923 421 HD1 PHE 54 HD1 PHE 54 -7.816 -0.369 4.616 422 HD2 PHE 54 HD2 PHE 54 -5.247 1.929 2.050 423 HE1 PHE 54 HE1 PHE 54 -9.799 0.531 3.425 424 HE2 PHE 54 HE2 PHE 54 -7.233 2.810 0.850 425 HZ PHE 54 HZ PHE 54 -9.505 2.109 1.540 426 H LEU 55 HN LEU 55 -2.627 -1.901 2.723 427 HA LEU 55 HA LEU 55 -1.288 -2.432 5.358 428 1HB LEU 55 HB2 LEU 55 -0.769 -3.597 2.612 429 2HB LEU 55 HB1 LEU 55 0.429 -3.696 3.901 430 HG LEU 55 HG LEU 55 -0.959 -5.074 5.235 431 1HD1 LEU 55 HD11 LEU 55 -3.216 -4.169 3.454 432 2HD1 LEU 55 HD13 LEU 55 -3.347 -5.594 4.482 433 3HD1 LEU 55 HD12 LEU 55 -3.060 -4.019 5.209 434 1HD2 LEU 55 HD23 LEU 55 -1.383 -5.839 2.334 435 2HD2 LEU 55 HD22 LEU 55 -0.033 -6.315 3.366 436 3HD2 LEU 55 HD21 LEU 55 -1.657 -6.919 3.703 437 H GLU 56 HN GLU 56 0.610 -1.418 5.822 438 HA GLU 56 HA GLU 56 1.558 0.660 3.874 439 1HB GLU 56 HB2 GLU 56 0.688 1.472 6.132 440 2HB GLU 56 HB1 GLU 56 2.035 0.604 6.872 441 1HG GLU 56 HG2 GLU 56 3.558 1.905 5.265 442 2HG GLU 56 HG1 GLU 56 2.157 2.932 4.944 443 H VAL 57 HN VAL 57 3.630 0.358 3.139 444 HA VAL 57 HA VAL 57 5.325 -1.691 4.549 445 HB VAL 57 HB VAL 57 5.112 -1.228 1.561 446 1HG1 VAL 57 HG13 VAL 57 6.561 -3.313 3.213 447 2HG1 VAL 57 HG12 VAL 57 6.452 -3.307 1.456 448 3HG1 VAL 57 HG11 VAL 57 7.319 -2.017 2.285 449 1HG2 VAL 57 HG23 VAL 57 4.059 -3.477 3.295 450 2HG2 VAL 57 HG22 VAL 57 3.077 -2.260 2.486 451 3HG2 VAL 57 HG21 VAL 57 4.001 -3.426 1.537 452 H ASP 58 HN ASP 58 7.431 -1.115 4.883 453 HA ASP 58 HA ASP 58 8.281 1.620 4.017 454 1HB ASP 58 HB2 ASP 58 8.385 0.872 6.457 455 2HB ASP 58 HB1 ASP 58 9.646 -0.261 5.952 456 H VAL 59 HN VAL 59 9.552 1.653 2.183 457 HA VAL 59 HA VAL 59 10.651 -0.791 1.087 458 HB VAL 59 HB VAL 59 11.836 0.705 -0.490 459 1HG1 VAL 59 HG11 VAL 59 8.958 1.437 0.115 460 2HG1 VAL 59 HG13 VAL 59 9.796 1.880 -1.372 461 3HG1 VAL 59 HG12 VAL 59 9.521 0.182 -0.987 462 1HG2 VAL 59 HG23 VAL 59 10.824 2.859 1.382 463 2HG2 VAL 59 HG22 VAL 59 12.500 2.496 0.967 464 3HG2 VAL 59 HG21 VAL 59 11.419 3.183 -0.247 465 H ASP 60 HN ASP 60 11.696 1.453 3.489 466 HA ASP 60 HA ASP 60 14.542 0.664 3.239 467 1HB ASP 60 HB2 ASP 60 13.002 2.683 4.850 468 2HB ASP 60 HB1 ASP 60 14.647 2.268 5.296 469 H ASP 61 HN ASP 61 11.888 0.245 5.629 470 HA ASP 61 HA ASP 61 13.709 -1.529 7.212 471 1HB ASP 61 HB2 ASP 61 10.878 -0.606 7.818 472 2HB ASP 61 HB1 ASP 61 11.922 -1.532 8.892 473 H ALA 62 HN ALA 62 11.203 -1.582 4.893 474 HA ALA 62 HA ALA 62 10.887 -4.541 5.235 475 1HB ALA 62 HB1 ALA 62 8.848 -2.785 5.512 476 2HB ALA 62 HB3 ALA 62 8.802 -2.981 3.762 477 3HB ALA 62 HB2 ALA 62 8.618 -4.387 4.809 478 H GLN 63 HN GLN 63 12.984 -3.265 3.824 479 HA GLN 63 HA GLN 63 12.492 -2.885 1.060 480 1HB GLN 63 HB2 GLN 63 14.885 -3.117 0.757 481 2HB GLN 63 HB1 GLN 63 14.614 -2.276 2.280 482 1HG GLN 63 HG2 GLN 63 14.774 -4.540 3.425 483 2HG GLN 63 HG1 GLN 63 15.354 -5.176 1.885 484 1HE2 GLN 63 HE22 GLN 63 17.978 -3.366 4.282 485 2HE2 GLN 63 HE21 GLN 63 16.470 -3.960 4.789 486 H ASP 64 HN ASP 64 12.690 -5.843 2.919 487 HA ASP 64 HA ASP 64 13.338 -7.597 0.752 488 1HB ASP 64 HB2 ASP 64 12.205 -9.354 2.179 489 2HB ASP 64 HB1 ASP 64 13.477 -8.456 2.995 490 H VAL 65 HN VAL 65 10.285 -6.277 1.952 491 HA VAL 65 HA VAL 65 8.580 -7.830 0.216 492 HB VAL 65 HB VAL 65 8.004 -5.063 1.323 493 1HG1 VAL 65 HG13 VAL 65 6.411 -6.071 -0.298 494 2HG1 VAL 65 HG12 VAL 65 6.211 -7.444 0.793 495 3HG1 VAL 65 HG11 VAL 65 5.702 -5.831 1.298 496 1HG2 VAL 65 HG21 VAL 65 8.115 -7.719 2.728 497 2HG2 VAL 65 HG23 VAL 65 8.696 -6.151 3.273 498 3HG2 VAL 65 HG22 VAL 65 6.968 -6.493 3.255 499 H ALA 66 HN ALA 66 9.946 -4.555 0.055 500 HA ALA 66 HA ALA 66 8.712 -3.902 -2.454 501 1HB ALA 66 HB2 ALA 66 9.786 -2.386 -0.572 502 2HB ALA 66 HB1 ALA 66 11.238 -2.558 -1.557 503 3HB ALA 66 HB3 ALA 66 9.775 -1.856 -2.252 504 H SER 67 HN SER 67 11.919 -5.184 -1.592 505 HA SER 67 HA SER 67 13.081 -4.994 -4.190 506 1HB SER 67 HB2 SER 67 14.640 -6.705 -3.434 507 2HB SER 67 HB1 SER 67 14.318 -5.610 -2.093 508 HG SER 67 HG SER 67 13.308 -8.210 -2.565 509 H GLU 68 HN GLU 68 10.862 -7.318 -2.767 510 HA GLU 68 HA GLU 68 11.051 -9.344 -4.774 511 1HB GLU 68 HB2 GLU 68 9.885 -9.623 -2.577 512 2HB GLU 68 HB1 GLU 68 8.615 -8.541 -3.146 513 1HG GLU 68 HG2 GLU 68 8.261 -10.122 -5.089 514 2HG GLU 68 HG1 GLU 68 9.375 -11.237 -4.299 515 H ALA 69 HN ALA 69 9.122 -6.381 -4.529 516 HA ALA 69 HA ALA 69 7.826 -6.911 -7.125 517 1HB ALA 69 HB2 ALA 69 6.563 -5.905 -5.217 518 2HB ALA 69 HB1 ALA 69 7.595 -4.480 -5.335 519 3HB ALA 69 HB3 ALA 69 6.530 -4.912 -6.673 520 H GLU 70 HN GLU 70 10.793 -5.709 -6.277 521 HA GLU 70 HA GLU 70 12.330 -4.311 -7.386 522 1HB GLU 70 HB2 GLU 70 10.508 -5.010 -9.709 523 2HB GLU 70 HB1 GLU 70 12.057 -4.192 -9.869 524 1HG GLU 70 HG2 GLU 70 12.475 -6.502 -10.267 525 2HG GLU 70 HG1 GLU 70 13.101 -6.151 -8.657 526 H VAL 71 HN VAL 71 10.512 -2.799 -5.967 527 HA VAL 71 HA VAL 71 9.014 -0.961 -7.574 528 HB VAL 71 HB VAL 71 10.310 -0.406 -4.884 529 1HG1 VAL 71 HG12 VAL 71 7.969 0.786 -6.400 530 2HG1 VAL 71 HG11 VAL 71 8.285 1.109 -4.697 531 3HG1 VAL 71 HG13 VAL 71 9.460 1.600 -5.922 532 1HG2 VAL 71 HG22 VAL 71 7.667 -1.726 -5.610 533 2HG2 VAL 71 HG21 VAL 71 8.996 -2.446 -4.703 534 3HG2 VAL 71 HG23 VAL 71 8.052 -1.135 -3.994 535 H LYS 72 HN LYS 72 9.684 0.799 -8.722 536 HA LYS 72 HA LYS 72 12.586 1.433 -8.687 537 1HB LYS 72 HB2 LYS 72 10.464 2.058 -10.747 538 2HB LYS 72 HB1 LYS 72 12.174 2.445 -10.903 539 1HG LYS 72 HG2 LYS 72 11.220 -0.401 -10.434 540 2HG LYS 72 HG1 LYS 72 11.369 0.276 -12.055 541 1HD LYS 72 HD2 LYS 72 13.780 0.864 -11.463 542 2HD LYS 72 HD1 LYS 72 13.574 -0.121 -10.017 543 1HE LYS 72 HE2 LYS 72 12.952 -2.056 -11.434 544 2HE LYS 72 HE1 LYS 72 13.231 -1.071 -12.872 545 1HZ LYS 72 HZ1 LYS 72 15.260 -1.652 -10.785 546 2HZ LYS 72 HZ3 LYS 72 15.162 -2.432 -12.287 547 3HZ LYS 72 HZ2 LYS 72 15.516 -0.771 -12.215 548 H ALA 73 HN ALA 73 9.620 2.699 -7.576 549 HA ALA 73 HA ALA 73 10.982 5.131 -6.744 550 1HB ALA 73 HB3 ALA 73 10.205 5.467 -9.206 551 2HB ALA 73 HB2 ALA 73 8.603 5.657 -8.494 552 3HB ALA 73 HB1 ALA 73 9.913 6.745 -8.029 553 H THR 74 HN THR 74 9.689 6.446 -5.282 554 HA THR 74 HA THR 74 7.191 5.119 -4.281 555 HB THR 74 HB THR 74 7.894 5.545 -1.987 556 HG1 THR 74 HG1 THR 74 10.310 6.630 -2.869 557 1HG2 THR 74 HG23 THR 74 10.171 4.434 -3.615 558 2HG2 THR 74 HG22 THR 74 10.091 4.350 -1.861 559 3HG2 THR 74 HG21 THR 74 8.880 3.520 -2.842 560 HA PRO 75 HA PRO 75 5.772 5.802 -2.504 561 1HB PRO 75 HB2 PRO 75 3.208 6.807 -2.605 562 2HB PRO 75 HB1 PRO 75 4.415 7.287 -1.405 563 1HG PRO 75 HG2 PRO 75 3.456 8.771 -3.806 564 2HG PRO 75 HG1 PRO 75 4.049 9.397 -2.260 565 1HD PRO 75 HD2 PRO 75 5.532 9.317 -4.652 566 2HD PRO 75 HD1 PRO 75 6.228 9.508 -3.019 567 H THR 76 HN THR 76 4.854 3.938 -3.221 568 HA THR 76 HA THR 76 3.440 3.953 -5.863 569 HB THR 76 HB THR 76 5.342 1.832 -4.835 570 HG1 THR 76 HG1 THR 76 5.778 4.079 -6.099 571 1HG2 THR 76 HG21 THR 76 3.812 2.033 -7.441 572 2HG2 THR 76 HG23 THR 76 5.001 0.798 -7.035 573 3HG2 THR 76 HG22 THR 76 3.481 0.881 -6.146 574 H PHE 77 HN PHE 77 1.574 2.859 -5.863 575 HA PHE 77 HA PHE 77 0.778 1.436 -3.343 576 1HB PHE 77 HB2 PHE 77 -0.960 2.893 -5.358 577 2HB PHE 77 HB1 PHE 77 -1.525 2.096 -3.889 578 HD1 PHE 77 HD1 PHE 77 -0.996 3.042 -1.650 579 HD2 PHE 77 HD2 PHE 77 0.227 4.999 -5.275 580 HE1 PHE 77 HE1 PHE 77 -0.550 5.126 -0.377 581 HE2 PHE 77 HE2 PHE 77 0.668 7.083 -4.005 582 HZ PHE 77 HZ PHE 77 0.280 7.151 -1.553 583 H GLN 78 HN GLN 78 0.248 -0.704 -3.613 584 HA GLN 78 HA GLN 78 -0.264 -1.667 -6.414 585 1HB GLN 78 HB2 GLN 78 1.316 -2.994 -4.204 586 2HB GLN 78 HB1 GLN 78 0.808 -3.817 -5.681 587 1HG GLN 78 HG2 GLN 78 1.993 -2.052 -7.006 588 2HG GLN 78 HG1 GLN 78 2.600 -1.378 -5.494 589 1HE2 GLN 78 HE22 GLN 78 5.361 -3.545 -6.326 590 2HE2 GLN 78 HE21 GLN 78 4.779 -1.970 -6.572 591 H PHE 79 HN PHE 79 -1.864 -3.148 -6.654 592 HA PHE 79 HA PHE 79 -3.642 -3.532 -4.274 593 1HB PHE 79 HB2 PHE 79 -4.230 -3.553 -7.245 594 2HB PHE 79 HB1 PHE 79 -5.418 -3.897 -5.984 595 HD1 PHE 79 HD2 PHE 79 -2.990 -1.320 -7.167 596 HD2 PHE 79 HD1 PHE 79 -6.488 -2.134 -4.815 597 HE1 PHE 79 HE2 PHE 79 -3.297 1.107 -6.785 598 HE2 PHE 79 HE1 PHE 79 -6.794 0.293 -4.429 599 HZ PHE 79 HZ PHE 79 -5.201 1.916 -5.416 600 H PHE 80 HN PHE 80 -4.047 -5.501 -3.549 601 HA PHE 80 HA PHE 80 -3.331 -7.861 -5.225 602 1HB PHE 80 HB2 PHE 80 -2.818 -7.418 -2.284 603 2HB PHE 80 HB1 PHE 80 -2.755 -9.007 -3.044 604 HD1 PHE 80 HD2 PHE 80 -1.179 -5.656 -2.895 605 HD2 PHE 80 HD1 PHE 80 -0.957 -9.630 -4.525 606 HE1 PHE 80 HE2 PHE 80 1.154 -5.239 -3.608 607 HE2 PHE 80 HE1 PHE 80 1.381 -9.203 -5.241 608 HZ PHE 80 HZ PHE 80 2.435 -7.006 -4.779 609 H LYS 81 HN LYS 81 -4.806 -9.563 -5.122 610 HA LYS 81 HA LYS 81 -7.060 -9.370 -3.192 611 1HB LYS 81 HB2 LYS 81 -7.559 -8.117 -5.419 612 2HB LYS 81 HB1 LYS 81 -7.606 -9.720 -6.149 613 1HG LYS 81 HG2 LYS 81 -9.314 -10.390 -4.457 614 2HG LYS 81 HG1 LYS 81 -9.317 -8.733 -3.855 615 1HD LYS 81 HD2 LYS 81 -9.857 -8.006 -6.238 616 2HD LYS 81 HD1 LYS 81 -10.165 -9.710 -6.588 617 1HE LYS 81 HE2 LYS 81 -11.805 -9.767 -4.715 618 2HE LYS 81 HE1 LYS 81 -11.544 -8.042 -4.465 619 1HZ LYS 81 HZ3 LYS 81 -12.444 -9.207 -7.041 620 2HZ LYS 81 HZ2 LYS 81 -13.509 -8.614 -5.856 621 3HZ LYS 81 HZ1 LYS 81 -12.403 -7.566 -6.610 622 H LYS 82 HN LYS 82 -7.446 -11.429 -2.468 623 HA LYS 82 HA LYS 82 -7.320 -13.763 -2.318 624 1HB LYS 82 HB2 LYS 82 -7.399 -13.568 -5.358 625 2HB LYS 82 HB1 LYS 82 -7.562 -15.057 -4.438 626 1HG LYS 82 HG2 LYS 82 -9.504 -13.875 -3.217 627 2HG LYS 82 HG1 LYS 82 -9.451 -12.706 -4.536 628 1HD LYS 82 HD2 LYS 82 -9.612 -14.677 -6.135 629 2HD LYS 82 HD1 LYS 82 -9.959 -15.684 -4.731 630 1HE LYS 82 HE2 LYS 82 -12.074 -15.021 -5.687 631 2HE LYS 82 HE1 LYS 82 -11.867 -14.119 -4.189 632 1HZ LYS 82 HZ2 LYS 82 -11.140 -13.072 -6.866 633 2HZ LYS 82 HZ1 LYS 82 -12.619 -12.755 -6.092 634 3HZ LYS 82 HZ3 LYS 82 -11.169 -12.211 -5.401 635 H GLY 83 HN GLY 83 -4.876 -12.068 -2.503 636 1HA GLY 83 HA2 GLY 83 -2.579 -12.558 -2.360 637 2HA GLY 83 HA1 GLY 83 -2.953 -14.233 -2.765 638 H GLN 84 HN GLN 84 -4.227 -11.825 -4.883 639 HA GLN 84 HA GLN 84 -2.048 -12.385 -6.855 640 1HB GLN 84 HB2 GLN 84 -5.036 -12.213 -7.283 641 2HB GLN 84 HB1 GLN 84 -3.875 -12.167 -8.605 642 1HG GLN 84 HG2 GLN 84 -3.934 -14.402 -6.567 643 2HG GLN 84 HG1 GLN 84 -4.851 -14.462 -8.074 644 1HE2 GLN 84 HE22 GLN 84 -1.127 -13.872 -9.335 645 2HE2 GLN 84 HE21 GLN 84 -2.150 -12.645 -8.751 646 H LYS 85 HN LYS 85 -1.270 -10.665 -8.024 647 HA LYS 85 HA LYS 85 -1.976 -7.956 -7.116 648 1HB LYS 85 HB2 LYS 85 0.371 -8.692 -7.694 649 2HB LYS 85 HB1 LYS 85 -0.140 -8.813 -9.378 650 1HG LYS 85 HG2 LYS 85 -0.802 -6.424 -9.332 651 2HG LYS 85 HG1 LYS 85 -0.215 -6.309 -7.673 652 1HD LYS 85 HD2 LYS 85 2.042 -6.995 -8.440 653 2HD LYS 85 HD1 LYS 85 1.449 -7.045 -10.100 654 1HE LYS 85 HE2 LYS 85 0.871 -4.653 -9.968 655 2HE LYS 85 HE1 LYS 85 1.475 -4.595 -8.311 656 1HZ LYS 85 HZ1 LYS 85 3.104 -5.388 -10.666 657 2HZ LYS 85 HZ3 LYS 85 3.106 -3.836 -9.980 658 3HZ LYS 85 HZ2 LYS 85 3.656 -5.164 -9.074 659 H VAL 86 HN VAL 86 -3.592 -6.781 -8.046 660 HA VAL 86 HA VAL 86 -4.385 -7.420 -10.870 661 HB VAL 86 HB VAL 86 -6.695 -6.701 -10.191 662 1HG1 VAL 86 HG11 VAL 86 -6.005 -9.085 -10.345 663 2HG1 VAL 86 HG13 VAL 86 -5.543 -9.041 -8.645 664 3HG1 VAL 86 HG12 VAL 86 -7.231 -8.827 -9.103 665 1HG2 VAL 86 HG21 VAL 86 -5.909 -5.437 -8.153 666 2HG2 VAL 86 HG23 VAL 86 -7.238 -6.551 -7.833 667 3HG2 VAL 86 HG22 VAL 86 -5.591 -6.989 -7.375 668 H GLY 87 HN GLY 87 -2.770 -5.111 -9.252 669 1HA GLY 87 HA2 GLY 87 -3.284 -3.115 -11.247 670 2HA GLY 87 HA1 GLY 87 -4.172 -2.692 -9.787 671 H GLU 88 HN GLU 88 -2.092 -1.097 -10.847 672 HA GLU 88 HA GLU 88 -0.422 -0.767 -8.517 673 1HB GLU 88 HB2 GLU 88 1.001 -2.469 -9.193 674 2HB GLU 88 HB1 GLU 88 0.609 -2.265 -10.892 675 1HG GLU 88 HG2 GLU 88 2.925 -1.645 -10.484 676 2HG GLU 88 HG1 GLU 88 2.030 -0.203 -10.927 677 H PHE 89 HN PHE 89 0.646 1.252 -8.551 678 HA PHE 89 HA PHE 89 1.007 2.779 -10.955 679 1HB PHE 89 HB2 PHE 89 -0.697 4.390 -10.855 680 2HB PHE 89 HB1 PHE 89 -1.535 2.871 -10.591 681 HD1 PHE 89 HD1 PHE 89 -0.038 5.791 -8.821 682 HD2 PHE 89 HD2 PHE 89 -2.818 2.529 -8.622 683 HE1 PHE 89 HE1 PHE 89 -0.976 6.721 -6.718 684 HE2 PHE 89 HE2 PHE 89 -3.753 3.449 -6.515 685 HZ PHE 89 HZ PHE 89 -2.848 5.554 -5.564 686 H SER 90 HN SER 90 1.944 4.896 -10.530 687 HA SER 90 HA SER 90 2.944 5.243 -7.728 688 1HB SER 90 HB2 SER 90 5.105 5.960 -8.648 689 2HB SER 90 HB1 SER 90 4.748 4.298 -9.119 690 HG SER 90 HG SER 90 4.774 4.937 -11.117 691 H GLY 91 HN GLY 91 3.606 7.451 -7.243 692 1HA GLY 91 HA2 GLY 91 3.684 9.812 -8.153 693 2HA GLY 91 HA1 GLY 91 2.128 9.481 -8.901 694 H ALA 92 HN ALA 92 2.972 11.452 -6.732 695 HA ALA 92 HA ALA 92 1.649 10.519 -4.310 696 1HB ALA 92 HB3 ALA 92 2.790 13.128 -5.272 697 2HB ALA 92 HB2 ALA 92 1.813 13.090 -3.805 698 3HB ALA 92 HB1 ALA 92 3.295 12.136 -3.911 699 H ASN 93 HN ASN 93 -0.340 9.899 -5.749 700 HA ASN 93 HA ASN 93 -2.267 12.205 -5.812 701 1HB ASN 93 HB2 ASN 93 -1.662 11.201 -8.072 702 2HB ASN 93 HB1 ASN 93 -2.424 9.710 -7.517 703 1HD2 ASN 93 HD22 ASN 93 -5.342 12.404 -7.146 704 2HD2 ASN 93 HD21 ASN 93 -4.080 12.214 -6.027 705 H LYS 94 HN LYS 94 -3.100 11.834 -3.724 706 HA LYS 94 HA LYS 94 -3.780 9.217 -2.706 707 1HB LYS 94 HB2 LYS 94 -5.040 10.533 -1.005 708 2HB LYS 94 HB1 LYS 94 -3.357 11.007 -1.177 709 1HG LYS 94 HG2 LYS 94 -5.085 12.533 -3.005 710 2HG LYS 94 HG1 LYS 94 -5.615 12.713 -1.337 711 1HD LYS 94 HD2 LYS 94 -3.200 13.259 -0.745 712 2HD LYS 94 HD1 LYS 94 -2.879 13.332 -2.483 713 1HE LYS 94 HE2 LYS 94 -4.618 15.055 -2.733 714 2HE LYS 94 HE1 LYS 94 -4.968 14.962 -1.008 715 1HZ LYS 94 HZ2 LYS 94 -2.312 15.372 -1.025 716 2HZ LYS 94 HZ1 LYS 94 -2.795 16.276 -2.381 717 3HZ LYS 94 HZ3 LYS 94 -3.474 16.601 -0.861 718 H GLU 95 HN GLU 95 -5.632 11.626 -4.535 719 HA GLU 95 HA GLU 95 -8.216 10.503 -4.045 720 1HB GLU 95 HB2 GLU 95 -7.178 12.028 -6.453 721 2HB GLU 95 HB1 GLU 95 -8.877 11.732 -6.092 722 1HG GLU 95 HG2 GLU 95 -6.979 13.175 -4.226 723 2HG GLU 95 HG1 GLU 95 -8.079 13.989 -5.337 724 H LYS 96 HN LYS 96 -5.637 9.698 -6.231 725 HA LYS 96 HA LYS 96 -7.004 8.085 -8.119 726 1HB LYS 96 HB2 LYS 96 -4.619 8.906 -8.155 727 2HB LYS 96 HB1 LYS 96 -4.227 7.643 -7.005 728 1HG LYS 96 HG2 LYS 96 -4.691 5.920 -8.542 729 2HG LYS 96 HG1 LYS 96 -5.587 6.996 -9.617 730 1HD LYS 96 HD2 LYS 96 -3.503 8.224 -10.124 731 2HD LYS 96 HD1 LYS 96 -2.606 7.134 -9.066 732 1HE LYS 96 HE2 LYS 96 -2.393 6.396 -11.395 733 2HE LYS 96 HE1 LYS 96 -3.323 5.215 -10.472 734 1HZ LYS 96 HZ2 LYS 96 -4.904 7.316 -11.662 735 2HZ LYS 96 HZ1 LYS 96 -4.123 6.313 -12.789 736 3HZ LYS 96 HZ3 LYS 96 -5.167 5.638 -11.636 737 H LEU 97 HN LEU 97 -5.766 7.381 -4.895 738 HA LEU 97 HA LEU 97 -6.033 4.551 -4.913 739 1HB LEU 97 HB2 LEU 97 -6.375 6.635 -2.741 740 2HB LEU 97 HB1 LEU 97 -6.502 4.916 -2.405 741 HG LEU 97 HG LEU 97 -4.089 6.198 -3.699 742 1HD1 LEU 97 HD12 LEU 97 -4.740 5.576 -0.809 743 2HD1 LEU 97 HD11 LEU 97 -3.089 5.820 -1.376 744 3HD1 LEU 97 HD13 LEU 97 -4.268 7.129 -1.496 745 1HD2 LEU 97 HD22 LEU 97 -4.788 3.425 -2.716 746 2HD2 LEU 97 HD21 LEU 97 -3.956 3.903 -4.195 747 3HD2 LEU 97 HD23 LEU 97 -3.122 3.969 -2.654 748 H GLU 98 HN GLU 98 -8.288 7.146 -4.258 749 HA GLU 98 HA GLU 98 -10.468 5.544 -3.352 750 1HB GLU 98 HB2 GLU 98 -10.294 8.030 -3.145 751 2HB GLU 98 HB1 GLU 98 -10.638 8.156 -4.870 752 1HG GLU 98 HG2 GLU 98 -12.712 8.474 -3.653 753 2HG GLU 98 HG1 GLU 98 -12.787 6.914 -4.470 754 H ALA 99 HN ALA 99 -9.669 6.661 -6.646 755 HA ALA 99 HA ALA 99 -12.037 5.498 -7.786 756 1HB ALA 99 HB3 ALA 99 -10.596 7.310 -8.836 757 2HB ALA 99 HB2 ALA 99 -9.457 6.035 -9.270 758 3HB ALA 99 HB1 ALA 99 -11.096 6.014 -9.923 759 H THR 100 HN THR 100 -8.689 4.262 -7.517 760 HA THR 100 HA THR 100 -9.189 1.892 -9.042 761 HB THR 100 HB THR 100 -7.219 2.107 -6.751 762 HG1 THR 100 HG1 THR 100 -6.818 2.786 -9.471 763 1HG2 THR 100 HG23 THR 100 -7.408 0.449 -9.282 764 2HG2 THR 100 HG22 THR 100 -5.943 0.560 -8.314 765 3HG2 THR 100 HG21 THR 100 -7.408 -0.132 -7.618 766 H ILE 101 HN ILE 101 -9.503 2.563 -5.569 767 HA ILE 101 HA ILE 101 -10.064 -0.121 -4.724 768 HB ILE 101 HB ILE 101 -10.947 2.574 -3.621 769 1HG1 ILE 101 HG12 ILE 101 -8.947 0.623 -2.453 770 2HG1 ILE 101 HG11 ILE 101 -8.463 1.828 -3.644 771 1HG2 ILE 101 HG22 ILE 101 -11.331 -0.232 -2.540 772 2HG2 ILE 101 HG21 ILE 101 -11.365 1.193 -1.500 773 3HG2 ILE 101 HG23 ILE 101 -12.557 1.014 -2.786 774 1HD1 ILE 101 HD11 ILE 101 -9.861 2.429 -1.020 775 2HD1 ILE 101 HD13 ILE 101 -8.138 2.653 -1.328 776 3HD1 ILE 101 HD12 ILE 101 -9.325 3.622 -2.201 777 H ASN 102 HN ASN 102 -12.218 2.551 -5.652 778 HA ASN 102 HA ASN 102 -14.684 1.126 -5.472 779 1HB ASN 102 HB2 ASN 102 -14.476 3.613 -5.712 780 2HB ASN 102 HB1 ASN 102 -13.956 3.381 -7.382 781 1HD2 ASN 102 HD22 ASN 102 -17.854 3.571 -6.656 782 2HD2 ASN 102 HD21 ASN 102 -16.647 4.147 -5.611 783 H GLU 103 HN GLU 103 -12.257 1.399 -7.981 784 HA GLU 103 HA GLU 103 -13.773 0.190 -10.084 785 1HB GLU 103 HB2 GLU 103 -11.612 1.545 -10.240 786 2HB GLU 103 HB1 GLU 103 -10.775 0.097 -9.695 787 1HG GLU 103 HG2 GLU 103 -12.605 0.085 -12.103 788 2HG GLU 103 HG1 GLU 103 -10.876 0.407 -12.221 789 H LEU 104 HN LEU 104 -11.559 -1.149 -7.622 790 HA LEU 104 HA LEU 104 -12.104 -3.900 -8.631 791 1HB LEU 104 HB2 LEU 104 -10.137 -2.908 -6.552 792 2HB LEU 104 HB1 LEU 104 -10.279 -4.574 -7.102 793 HG LEU 104 HG LEU 104 -9.643 -2.241 -8.938 794 1HD1 LEU 104 HD13 LEU 104 -7.843 -4.210 -7.503 795 2HD1 LEU 104 HD12 LEU 104 -7.315 -3.249 -8.884 796 3HD1 LEU 104 HD11 LEU 104 -7.811 -2.450 -7.392 797 1HD2 LEU 104 HD23 LEU 104 -9.734 -5.253 -9.250 798 2HD2 LEU 104 HD22 LEU 104 -10.491 -4.028 -10.264 799 3HD2 LEU 104 HD21 LEU 104 -8.747 -4.261 -10.321 800 H VAL 105 HN VAL 105 -13.426 -1.843 -6.270 801 HA VAL 105 HA VAL 105 -13.662 -3.687 -4.086 802 HB VAL 105 HB VAL 105 -14.214 -1.202 -4.012 803 1HG1 VAL 105 HG11 VAL 105 -15.724 -1.418 -6.091 804 2HG1 VAL 105 HG13 VAL 105 -16.947 -2.036 -4.985 805 3HG1 VAL 105 HG12 VAL 105 -16.305 -0.406 -4.772 806 1HG2 VAL 105 HG22 VAL 105 -16.176 -3.245 -2.942 807 2HG2 VAL 105 HG21 VAL 105 -14.758 -2.597 -2.120 808 3HG2 VAL 105 HG23 VAL 105 -16.151 -1.559 -2.426 809 HA PRO 59 HA PRO 106 14.778 15.569 -13.535 810 1HB PRO 59 HB2 PRO 106 17.194 15.625 -11.740 811 2HB PRO 59 HB1 PRO 106 16.958 14.771 -13.282 812 1HG PRO 59 HG2 PRO 106 18.358 17.021 -13.188 813 2HG PRO 59 HG1 PRO 106 17.259 16.692 -14.541 814 1HD PRO 59 HD2 PRO 106 16.919 18.607 -12.270 815 2HD PRO 59 HD1 PRO 106 16.292 18.708 -13.931 816 H ALA 60 HN ALA 107 15.167 16.896 -10.280 817 HA ALA 60 HA ALA 107 14.136 14.382 -9.071 818 1HB ALA 60 HB2 ALA 107 15.068 16.972 -7.791 819 2HB ALA 60 HB1 ALA 107 14.604 15.509 -6.921 820 3HB ALA 60 HB3 ALA 107 16.030 15.502 -7.959 821 H THR 61 HN THR 108 12.003 14.167 -8.650 822 HA THR 61 HA THR 108 10.264 16.618 -8.677 823 HB THR 61 HB THR 108 9.429 13.725 -9.059 824 HG1 THR 61 HG1 THR 108 10.777 15.302 -10.702 825 1HG2 THR 61 HG22 THR 108 7.732 15.458 -8.312 826 2HG2 THR 61 HG21 THR 108 8.019 16.286 -9.839 827 3HG2 THR 61 HG23 THR 108 7.357 14.652 -9.831 828 H LEU 62 HN LEU 109 9.267 17.139 -6.755 829 HA LEU 62 HA LEU 109 9.838 15.630 -4.364 830 1HB LEU 62 HB2 LEU 109 7.861 17.853 -4.942 831 2HB LEU 62 HB1 LEU 109 8.112 17.182 -3.333 832 HG LEU 62 HG LEU 109 10.356 18.321 -5.025 833 1HD1 LEU 62 HD11 LEU 109 8.625 20.035 -4.514 834 2HD1 LEU 62 HD13 LEU 109 8.809 19.675 -2.797 835 3HD1 LEU 62 HD12 LEU 109 10.157 20.362 -3.705 836 1HD2 LEU 62 HD21 LEU 109 10.103 17.338 -2.178 837 2HD2 LEU 62 HD23 LEU 109 11.372 17.010 -3.358 838 3HD2 LEU 62 HD22 LEU 109 11.291 18.580 -2.569 839 H LYS 63 HN LYS 110 7.198 15.672 -6.649 840 HA LYS 63 HA LYS 110 5.211 14.301 -5.143 841 1HB LYS 63 HB2 LYS 110 5.799 14.144 -8.122 842 2HB LYS 63 HB1 LYS 110 4.292 13.653 -7.355 843 1HG LYS 63 HG2 LYS 110 5.436 16.465 -7.428 844 2HG LYS 63 HG1 LYS 110 4.038 15.886 -8.329 845 1HD LYS 63 HD2 LYS 110 3.022 15.314 -6.021 846 2HD LYS 63 HD1 LYS 110 4.291 16.339 -5.349 847 1HE LYS 63 HE2 LYS 110 3.540 18.207 -6.778 848 2HE LYS 63 HE1 LYS 110 2.248 17.191 -7.418 849 1HZ LYS 63 HZ2 LYS 110 2.272 17.166 -4.574 850 2HZ LYS 63 HZ1 LYS 110 2.144 18.756 -5.162 851 3HZ LYS 63 HZ3 LYS 110 1.013 17.584 -5.636 852 H ILE 64 HN ILE 111 8.197 13.225 -6.510 853 HA ILE 64 HA ILE 111 7.579 10.397 -5.700 854 HB ILE 64 HB ILE 111 9.037 11.374 -8.183 855 1HG1 ILE 64 HG12 ILE 111 6.605 11.277 -8.437 856 2HG1 ILE 64 HG11 ILE 111 7.359 9.989 -9.366 857 1HG2 ILE 64 HG21 ILE 111 8.899 8.617 -6.958 858 2HG2 ILE 64 HG23 ILE 111 9.288 8.889 -8.658 859 3HG2 ILE 64 HG22 ILE 111 10.338 9.539 -7.398 860 1HD1 ILE 64 HD12 ILE 111 6.947 8.636 -7.061 861 2HD1 ILE 64 HD11 ILE 111 5.646 9.813 -6.933 862 3HD1 ILE 64 HD13 ILE 111 5.730 8.738 -8.326 863 H CYS 65 HN CYS 112 9.348 9.310 -4.661 864 HA CYS 65 HA CYS 112 11.703 11.033 -3.987 865 1HB CYS 65 HB2 CYS 112 11.031 8.434 -2.594 866 2HB CYS 65 HB1 CYS 112 12.020 9.763 -2.011 867 H SER 66 HN SER 113 13.695 10.410 -4.788 868 HA SER 66 HA SER 113 13.768 8.155 -6.658 869 1HB SER 66 HB2 SER 113 15.939 10.068 -5.759 870 2HB SER 66 HB1 SER 113 16.068 8.935 -7.103 871 HG SER 66 HG SER 113 15.110 10.400 -8.250 872 H TRP 67 HN TRP 114 14.864 6.206 -6.381 873 HA TRP 67 HA TRP 114 15.509 5.400 -3.649 874 1HB TRP 67 HB2 TRP 114 15.769 3.967 -6.311 875 2HB TRP 67 HB1 TRP 114 16.178 3.235 -4.758 876 HD1 TRP 67 HD1 TRP 114 13.172 5.317 -6.007 877 HE1 TRP 67 HE1 TRP 114 11.022 4.159 -5.214 878 HE3 TRP 67 HE3 TRP 114 15.154 1.283 -3.616 879 HZ2 TRP 67 HZ2 TRP 114 10.254 1.855 -3.747 880 HZ3 TRP 67 HZ3 TRP 114 13.695 -0.382 -2.532 881 HH2 TRP 67 HH2 TRP 114 11.238 -0.103 -2.602 882 H ASN 68 HN ASN 115 17.140 7.044 -6.066 883 HA ASN 68 HA ASN 115 19.759 5.994 -6.024 884 1HB ASN 68 HB2 ASN 115 18.800 8.875 -6.177 885 2HB ASN 68 HB1 ASN 115 20.479 8.386 -6.434 886 1HD2 ASN 68 HD22 ASN 115 18.460 6.258 -9.138 887 2HD2 ASN 68 HD21 ASN 115 18.544 5.863 -7.490 888 H VAL 69 HN VAL 116 17.904 7.265 -3.484 889 HA VAL 69 HA VAL 116 19.897 8.523 -1.880 890 HB VAL 69 HB VAL 116 18.408 7.875 0.051 891 1HG1 VAL 69 HG13 VAL 116 18.039 9.878 -1.555 892 2HG1 VAL 69 HG12 VAL 116 16.743 8.909 -2.251 893 3HG1 VAL 69 HG11 VAL 116 16.678 9.376 -0.553 894 1HG2 VAL 69 HG23 VAL 116 16.856 6.515 -2.171 895 2HG2 VAL 69 HG22 VAL 116 17.661 5.703 -0.832 896 3HG2 VAL 69 HG21 VAL 116 16.268 6.742 -0.529 897 H ASP 70 HN ASP 117 21.426 7.677 -0.480 898 HA ASP 70 HA ASP 117 22.486 5.092 -0.982 899 1HB ASP 70 HB2 ASP 117 22.829 6.972 1.368 900 2HB ASP 70 HB1 ASP 117 23.768 5.492 1.165 901 H GLY 71 HN GLY 118 20.318 6.237 1.595 902 1HA GLY 71 HA2 GLY 118 18.866 5.001 2.972 903 2HA GLY 71 HA1 GLY 118 19.188 3.598 1.952 No H/Q in entry = 903 Start of MODEL 9 1 1H MET 1 HT2 MET 1 -9.073 -0.856 9.652 2 2H MET 1 HT1 MET 1 -9.036 -2.500 10.079 3 3H MET 1 HT3 MET 1 -9.755 -1.370 11.121 4 HA MET 1 HA MET 1 -7.660 -0.343 11.585 5 1HB MET 1 HB2 MET 1 -7.523 -3.372 11.740 6 2HB MET 1 HB1 MET 1 -6.507 -2.265 12.663 7 1HG MET 1 HG2 MET 1 -9.537 -2.360 12.797 8 2HG MET 1 HG1 MET 1 -8.451 -3.070 13.989 9 1HE MET 1 HE2 MET 1 -6.681 -1.993 15.056 10 2HE MET 1 HE1 MET 1 -6.621 -0.327 15.621 11 3HE MET 1 HE3 MET 1 -7.820 -1.446 16.284 12 H VAL 2 HN VAL 2 -5.328 -0.345 11.269 13 HA VAL 2 HA VAL 2 -4.584 -1.044 8.462 14 HB VAL 2 HB VAL 2 -3.314 0.786 10.525 15 1HG1 VAL 2 HG13 VAL 2 -2.442 -0.014 7.738 16 2HG1 VAL 2 HG12 VAL 2 -1.885 1.466 8.519 17 3HG1 VAL 2 HG11 VAL 2 -1.505 -0.103 9.230 18 1HG2 VAL 2 HG23 VAL 2 -5.389 1.615 9.464 19 2HG2 VAL 2 HG22 VAL 2 -3.988 2.533 8.917 20 3HG2 VAL 2 HG21 VAL 2 -4.695 1.304 7.874 21 H LYS 3 HN LYS 3 -2.522 -2.117 8.067 22 HA LYS 3 HA LYS 3 -1.409 -3.624 10.409 23 1HB LYS 3 HB2 LYS 3 -2.929 -5.050 8.993 24 2HB LYS 3 HB1 LYS 3 -1.887 -4.721 7.615 25 1HG LYS 3 HG2 LYS 3 -1.063 -6.780 8.385 26 2HG LYS 3 HG1 LYS 3 0.030 -5.633 9.150 27 1HD LYS 3 HD2 LYS 3 -1.214 -5.755 11.236 28 2HD LYS 3 HD1 LYS 3 -2.439 -6.774 10.482 29 1HE LYS 3 HE2 LYS 3 -0.704 -8.498 10.050 30 2HE LYS 3 HE1 LYS 3 0.482 -7.487 10.876 31 1HZ LYS 3 HZ3 LYS 3 -1.329 -7.536 12.746 32 2HZ LYS 3 HZ2 LYS 3 -1.784 -8.982 11.981 33 3HZ LYS 3 HZ1 LYS 3 -0.209 -8.799 12.589 34 H GLN 4 HN GLN 4 0.788 -3.431 10.526 35 HA GLN 4 HA GLN 4 2.204 -2.144 8.232 36 1HB GLN 4 HB2 GLN 4 2.422 -1.137 10.508 37 2HB GLN 4 HB1 GLN 4 3.150 -2.640 11.074 38 1HG GLN 4 HG2 GLN 4 4.957 -2.385 9.382 39 2HG GLN 4 HG1 GLN 4 4.242 -0.850 8.880 40 1HE2 GLN 4 HE22 GLN 4 6.390 0.655 11.264 41 2HE2 GLN 4 HE21 GLN 4 6.021 0.474 9.617 42 H ILE 5 HN ILE 5 3.356 -3.459 6.910 43 HA ILE 5 HA ILE 5 4.085 -6.200 7.848 44 HB ILE 5 HB ILE 5 4.282 -5.043 5.065 45 1HG1 ILE 5 HG12 ILE 5 1.960 -4.859 5.710 46 2HG1 ILE 5 HG11 ILE 5 2.119 -6.269 4.664 47 1HG2 ILE 5 HG21 ILE 5 5.543 -7.159 5.732 48 2HG2 ILE 5 HG23 ILE 5 3.961 -7.914 5.923 49 3HG2 ILE 5 HG22 ILE 5 4.454 -7.288 4.358 50 1HD1 ILE 5 HD12 ILE 5 2.422 -7.607 6.877 51 2HD1 ILE 5 HD11 ILE 5 1.730 -6.184 7.650 52 3HD1 ILE 5 HD13 ILE 5 0.802 -7.069 6.443 53 H GLU 6 HN GLU 6 6.125 -6.292 8.697 54 HA GLU 6 HA GLU 6 8.201 -4.397 7.704 55 1HB GLU 6 HB2 GLU 6 8.195 -6.267 10.093 56 2HB GLU 6 HB1 GLU 6 9.452 -5.090 9.705 57 1HG GLU 6 HG2 GLU 6 6.565 -4.286 10.079 58 2HG GLU 6 HG1 GLU 6 7.706 -4.341 11.421 59 H SER 7 HN SER 7 7.110 -7.437 6.946 60 HA SER 7 HA SER 7 9.711 -8.141 5.718 61 1HB SER 7 HB2 SER 7 9.715 -10.410 6.698 62 2HB SER 7 HB1 SER 7 9.857 -9.172 7.949 63 HG SER 7 HG SER 7 8.174 -10.158 8.755 64 H LYS 8 HN LYS 8 9.514 -9.837 4.105 65 HA LYS 8 HA LYS 8 7.037 -9.810 2.630 66 1HB LYS 8 HB2 LYS 8 9.353 -10.312 1.684 67 2HB LYS 8 HB1 LYS 8 9.207 -11.911 2.420 68 1HG LYS 8 HG2 LYS 8 6.965 -12.106 1.187 69 2HG LYS 8 HG1 LYS 8 7.482 -10.695 0.263 70 1HD LYS 8 HD2 LYS 8 9.036 -13.291 0.485 71 2HD LYS 8 HD1 LYS 8 8.047 -12.817 -0.896 72 1HE LYS 8 HE2 LYS 8 9.472 -10.701 -0.998 73 2HE LYS 8 HE1 LYS 8 10.572 -11.511 0.116 74 1HZ LYS 8 HZ2 LYS 8 10.397 -13.430 -1.587 75 2HZ LYS 8 HZ1 LYS 8 9.908 -12.207 -2.662 76 3HZ LYS 8 HZ3 LYS 8 11.425 -12.116 -1.910 77 H THR 9 HN THR 9 8.434 -11.906 5.057 78 HA THR 9 HA THR 9 6.763 -14.165 4.772 79 HB THR 9 HB THR 9 7.724 -12.951 7.377 80 HG1 THR 9 HG1 THR 9 9.567 -13.267 6.388 81 1HG2 THR 9 HG23 THR 9 6.072 -14.780 7.603 82 2HG2 THR 9 HG22 THR 9 7.095 -15.813 6.604 83 3HG2 THR 9 HG21 THR 9 7.666 -15.266 8.181 84 H ALA 10 HN ALA 10 6.278 -11.209 6.679 85 HA ALA 10 HA ALA 10 3.621 -11.957 7.534 86 1HB ALA 10 HB1 ALA 10 5.062 -9.290 7.440 87 2HB ALA 10 HB3 ALA 10 3.445 -9.494 8.115 88 3HB ALA 10 HB2 ALA 10 4.819 -10.324 8.845 89 H PHE 11 HN PHE 11 4.938 -10.272 4.729 90 HA PHE 11 HA PHE 11 2.548 -9.062 3.777 91 1HB PHE 11 HB2 PHE 11 4.901 -8.834 2.798 92 2HB PHE 11 HB1 PHE 11 4.658 -10.399 2.047 93 HD1 PHE 11 HD1 PHE 11 2.848 -7.138 2.451 94 HD2 PHE 11 HD2 PHE 11 3.806 -10.437 -0.131 95 HE1 PHE 11 HE1 PHE 11 1.615 -6.054 0.604 96 HE2 PHE 11 HE2 PHE 11 2.566 -9.348 -1.981 97 HZ PHE 11 HZ PHE 11 1.466 -7.158 -1.612 98 H GLN 12 HN GLN 12 3.884 -12.307 3.247 99 HA GLN 12 HA GLN 12 1.791 -13.265 1.532 100 1HB GLN 12 HB2 GLN 12 3.574 -14.754 3.494 101 2HB GLN 12 HB1 GLN 12 2.630 -15.507 2.209 102 1HG GLN 12 HG2 GLN 12 4.794 -13.424 1.776 103 2HG GLN 12 HG1 GLN 12 5.010 -15.161 1.559 104 1HE2 GLN 12 HE22 GLN 12 3.474 -13.041 -1.454 105 2HE2 GLN 12 HE21 GLN 12 4.264 -12.350 -0.119 106 H GLU 13 HN GLU 13 2.277 -13.362 5.047 107 HA GLU 13 HA GLU 13 -0.070 -14.879 5.668 108 1HB GLU 13 HB2 GLU 13 1.486 -12.864 7.317 109 2HB GLU 13 HB1 GLU 13 0.255 -13.931 7.970 110 1HG GLU 13 HG2 GLU 13 2.761 -14.861 6.541 111 2HG GLU 13 HG1 GLU 13 2.549 -14.839 8.292 112 H ALA 14 HN ALA 14 0.474 -11.419 5.249 113 HA ALA 14 HA ALA 14 -2.109 -10.611 6.224 114 1HB ALA 14 HB1 ALA 14 0.022 -9.183 5.776 115 2HB ALA 14 HB3 ALA 14 -0.568 -9.099 4.117 116 3HB ALA 14 HB2 ALA 14 -1.552 -8.465 5.437 117 H LEU 15 HN LEU 15 -0.850 -11.339 2.976 118 HA LEU 15 HA LEU 15 -3.223 -10.730 1.533 119 1HB LEU 15 HB2 LEU 15 -1.051 -12.786 1.035 120 2HB LEU 15 HB1 LEU 15 -2.311 -12.404 -0.136 121 HG LEU 15 HG LEU 15 -0.467 -10.311 1.043 122 1HD1 LEU 15 HD13 LEU 15 -0.126 -12.097 -1.365 123 2HD1 LEU 15 HD12 LEU 15 0.624 -10.502 -1.307 124 3HD1 LEU 15 HD11 LEU 15 1.041 -11.715 -0.098 125 1HD2 LEU 15 HD21 LEU 15 -2.478 -10.378 -1.212 126 2HD2 LEU 15 HD23 LEU 15 -2.309 -9.196 0.082 127 3HD2 LEU 15 HD22 LEU 15 -1.150 -9.220 -1.242 128 H ASP 16 HN ASP 16 -2.118 -13.648 3.198 129 HA ASP 16 HA ASP 16 -4.370 -15.266 2.423 130 1HB ASP 16 HB2 ASP 16 -2.157 -16.140 3.284 131 2HB ASP 16 HB1 ASP 16 -2.658 -15.614 4.895 132 H ALA 17 HN ALA 17 -3.666 -13.248 5.257 133 HA ALA 17 HA ALA 17 -6.047 -14.008 6.702 134 1HB ALA 17 HB1 ALA 17 -3.965 -12.974 7.707 135 2HB ALA 17 HB3 ALA 17 -4.485 -11.436 7.018 136 3HB ALA 17 HB2 ALA 17 -5.482 -12.242 8.228 137 H ALA 18 HN ALA 18 -5.328 -11.489 4.346 138 HA ALA 18 HA ALA 18 -7.668 -9.901 4.797 139 1HB ALA 18 HB3 ALA 18 -5.836 -10.306 2.437 140 2HB ALA 18 HB2 ALA 18 -7.280 -9.304 2.286 141 3HB ALA 18 HB1 ALA 18 -6.027 -8.878 3.452 142 H GLY 19 HN GLY 19 -7.141 -12.935 3.166 143 1HA GLY 19 HA2 GLY 19 -8.685 -14.464 2.284 144 2HA GLY 19 HA1 GLY 19 -9.956 -13.498 3.037 145 H ASP 20 HN ASP 20 -11.404 -13.039 1.446 146 HA ASP 20 HA ASP 20 -10.461 -12.501 -1.302 147 1HB ASP 20 HB2 ASP 20 -13.254 -12.681 -0.149 148 2HB ASP 20 HB1 ASP 20 -12.858 -12.527 -1.863 149 H LYS 21 HN LYS 21 -10.727 -10.613 1.381 150 HA LYS 21 HA LYS 21 -12.191 -8.346 0.304 151 1HB LYS 21 HB2 LYS 21 -10.180 -8.568 2.565 152 2HB LYS 21 HB1 LYS 21 -11.070 -7.096 2.180 153 1HG LYS 21 HG2 LYS 21 -13.197 -8.566 2.397 154 2HG LYS 21 HG1 LYS 21 -12.143 -9.723 3.211 155 1HD LYS 21 HD2 LYS 21 -11.410 -7.798 4.718 156 2HD LYS 21 HD1 LYS 21 -12.746 -6.874 4.032 157 1HE LYS 21 HE2 LYS 21 -14.253 -8.829 4.698 158 2HE LYS 21 HE1 LYS 21 -12.888 -9.425 5.643 159 1HZ LYS 21 HZ3 LYS 21 -12.885 -6.978 6.512 160 2HZ LYS 21 HZ2 LYS 21 -14.517 -7.022 6.041 161 3HZ LYS 21 HZ1 LYS 21 -13.930 -8.133 7.185 162 H LEU 22 HN LEU 22 -11.292 -6.391 -0.572 163 HA LEU 22 HA LEU 22 -9.074 -6.688 -2.306 164 1HB LEU 22 HB2 LEU 22 -11.042 -4.805 -1.937 165 2HB LEU 22 HB1 LEU 22 -9.661 -3.956 -1.276 166 HG LEU 22 HG LEU 22 -9.987 -5.037 -4.078 167 1HD1 LEU 22 HD13 LEU 22 -10.027 -2.327 -2.794 168 2HD1 LEU 22 HD12 LEU 22 -9.246 -2.439 -4.359 169 3HD1 LEU 22 HD11 LEU 22 -10.928 -2.934 -4.178 170 1HD2 LEU 22 HD23 LEU 22 -7.510 -3.987 -2.686 171 2HD2 LEU 22 HD22 LEU 22 -7.685 -5.484 -3.607 172 3HD2 LEU 22 HD21 LEU 22 -7.689 -3.937 -4.436 173 H VAL 23 HN VAL 23 -6.902 -5.619 -2.042 174 HA VAL 23 HA VAL 23 -6.111 -5.019 0.753 175 HB VAL 23 HB VAL 23 -4.740 -7.064 -1.016 176 1HG1 VAL 23 HG13 VAL 23 -4.036 -5.841 1.658 177 2HG1 VAL 23 HG12 VAL 23 -3.333 -7.356 1.096 178 3HG1 VAL 23 HG11 VAL 23 -3.058 -5.867 0.191 179 1HG2 VAL 23 HG23 VAL 23 -6.386 -7.274 1.509 180 2HG2 VAL 23 HG22 VAL 23 -6.646 -8.098 -0.029 181 3HG2 VAL 23 HG21 VAL 23 -5.281 -8.550 0.993 182 H VAL 24 HN VAL 24 -5.340 -2.984 0.460 183 HA VAL 24 HA VAL 24 -3.773 -2.381 -2.001 184 HB VAL 24 HB VAL 24 -4.724 -0.477 0.165 185 1HG1 VAL 24 HG13 VAL 24 -2.803 0.240 -1.293 186 2HG1 VAL 24 HG12 VAL 24 -3.850 0.027 -2.696 187 3HG1 VAL 24 HG11 VAL 24 -4.240 1.244 -1.480 188 1HG2 VAL 24 HG23 VAL 24 -6.019 -1.446 -2.383 189 2HG2 VAL 24 HG22 VAL 24 -6.718 -1.348 -0.771 190 3HG2 VAL 24 HG21 VAL 24 -6.421 0.125 -1.695 191 H VAL 25 HN VAL 25 -1.590 -1.820 -1.855 192 HA VAL 25 HA VAL 25 -0.327 -1.995 0.870 193 HB VAL 25 HB VAL 25 0.869 -2.918 -1.760 194 1HG1 VAL 25 HG13 VAL 25 2.375 -2.224 0.196 195 2HG1 VAL 25 HG12 VAL 25 1.714 -3.615 1.053 196 3HG1 VAL 25 HG11 VAL 25 2.616 -3.848 -0.442 197 1HG2 VAL 25 HG22 VAL 25 -1.156 -4.256 -0.999 198 2HG2 VAL 25 HG21 VAL 25 0.339 -5.173 -1.121 199 3HG2 VAL 25 HG23 VAL 25 -0.247 -4.655 0.457 200 H ASP 26 HN ASP 26 0.682 -0.120 1.397 201 HA ASP 26 HA ASP 26 1.421 1.791 -0.793 202 1HB ASP 26 HB2 ASP 26 0.007 2.570 1.136 203 2HB ASP 26 HB1 ASP 26 1.359 2.240 2.217 204 H PHE 27 HN PHE 27 3.528 1.653 -1.458 205 HA PHE 27 HA PHE 27 5.607 0.562 0.364 206 1HB PHE 27 HB2 PHE 27 5.540 1.169 -2.595 207 2HB PHE 27 HB1 PHE 27 7.058 0.843 -1.761 208 HD1 PHE 27 HD1 PHE 27 7.369 -1.345 -0.559 209 HD2 PHE 27 HD2 PHE 27 4.037 -0.611 -3.172 210 HE1 PHE 27 HE1 PHE 27 6.985 -3.786 -0.754 211 HE2 PHE 27 HE2 PHE 27 3.653 -3.055 -3.358 212 HZ PHE 27 HZ PHE 27 5.129 -4.642 -2.155 213 H SER 28 HN SER 28 4.347 3.378 0.510 214 HA SER 28 HA SER 28 6.224 5.317 -0.286 215 1HB SER 28 HB2 SER 28 4.561 5.330 2.245 216 2HB SER 28 HB1 SER 28 5.335 6.732 1.516 217 HG SER 28 HG SER 28 3.712 5.194 -0.134 218 H ALA 29 HN ALA 29 8.013 6.239 0.655 219 HA ALA 29 HA ALA 29 9.493 4.505 2.523 220 1HB ALA 29 HB2 ALA 29 10.115 6.724 0.636 221 2HB ALA 29 HB1 ALA 29 11.114 6.682 2.086 222 3HB ALA 29 HB3 ALA 29 11.058 5.284 1.009 223 H THR 30 HN THR 30 9.354 4.859 4.704 224 HA THR 30 HA THR 30 7.860 7.051 5.784 225 HB THR 30 HB THR 30 8.193 4.941 7.042 226 HG1 THR 30 HG1 THR 30 7.852 6.222 8.652 227 1HG2 THR 30 HG23 THR 30 10.608 4.686 6.267 228 2HG2 THR 30 HG22 THR 30 11.034 5.868 7.504 229 3HG2 THR 30 HG21 THR 30 10.310 4.328 7.970 230 H TRP 31 HN TRP 31 11.255 6.596 5.015 231 HA TRP 31 HA TRP 31 12.159 8.931 6.501 232 1HB TRP 31 HB2 TRP 31 14.254 8.633 5.279 233 2HB TRP 31 HB1 TRP 31 13.675 7.082 5.885 234 HD1 TRP 31 HD1 TRP 31 13.024 5.268 4.171 235 HE1 TRP 31 HE1 TRP 31 13.244 5.064 1.612 236 HE3 TRP 31 HE3 TRP 31 14.007 10.127 3.000 237 HZ2 TRP 31 HZ2 TRP 31 13.719 6.762 -0.640 238 HZ3 TRP 31 HZ3 TRP 31 14.305 10.816 0.641 239 HH2 TRP 31 HH2 TRP 31 14.158 9.140 -1.179 240 H CYS 32 HN CYS 32 10.596 8.518 3.430 241 HA CYS 32 HA CYS 32 11.647 11.059 2.366 242 1HB CYS 32 HB2 CYS 32 11.014 9.024 0.933 243 2HB CYS 32 HB1 CYS 32 9.337 9.442 1.255 244 H GLY 33 HN GLY 33 10.863 12.937 3.013 245 1HA GLY 33 HA2 GLY 33 8.685 13.257 4.789 246 2HA GLY 33 HA1 GLY 33 9.441 14.561 3.886 247 HA PRO 34 HA PRO 34 6.021 14.957 1.175 248 1HB PRO 34 HB2 PRO 34 6.822 13.904 -1.339 249 2HB PRO 34 HB1 PRO 34 6.986 15.576 -0.787 250 1HG PRO 34 HG2 PRO 34 9.059 13.498 -1.046 251 2HG PRO 34 HG1 PRO 34 9.245 15.252 -0.909 252 1HD PRO 34 HD2 PRO 34 9.807 13.376 1.112 253 2HD PRO 34 HD1 PRO 34 9.630 15.125 1.363 254 H ALA 35 HN ALA 35 7.409 11.705 1.003 255 HA ALA 35 HA ALA 35 4.936 10.499 0.034 256 1HB ALA 35 HB3 ALA 35 7.399 9.593 -0.105 257 2HB ALA 35 HB2 ALA 35 7.063 8.949 1.502 258 3HB ALA 35 HB1 ALA 35 6.071 8.456 0.128 259 H LYS 36 HN LYS 36 6.567 10.636 3.222 260 HA LYS 36 HA LYS 36 4.576 9.210 4.687 261 1HB LYS 36 HB2 LYS 36 6.839 9.802 5.567 262 2HB LYS 36 HB1 LYS 36 6.329 11.485 5.675 263 1HG LYS 36 HG2 LYS 36 4.433 10.705 7.180 264 2HG LYS 36 HG1 LYS 36 5.208 9.120 7.205 265 1HD LYS 36 HD2 LYS 36 7.294 10.198 8.050 266 2HD LYS 36 HD1 LYS 36 6.436 11.737 8.121 267 1HE LYS 36 HE2 LYS 36 6.349 10.771 10.329 268 2HE LYS 36 HE1 LYS 36 4.739 10.615 9.625 269 1HZ LYS 36 HZ3 LYS 36 6.307 8.389 8.904 270 2HZ LYS 36 HZ2 LYS 36 6.370 8.589 10.591 271 3HZ LYS 36 HZ1 LYS 36 4.872 8.428 9.808 272 H MET 37 HN MET 37 4.785 12.549 3.645 273 HA MET 37 HA MET 37 2.746 13.658 5.269 274 1HB MET 37 HB2 MET 37 4.295 14.969 3.830 275 2HB MET 37 HB1 MET 37 3.430 14.386 2.413 276 1HG MET 37 HG2 MET 37 1.951 15.771 4.648 277 2HG MET 37 HG1 MET 37 2.767 16.707 3.397 278 1HE MET 37 HE1 MET 37 2.732 16.120 1.077 279 2HE MET 37 HE3 MET 37 1.297 15.664 0.148 280 3HE MET 37 HE2 MET 37 1.377 17.234 0.942 281 H ILE 38 HN ILE 38 2.539 11.574 2.462 282 HA ILE 38 HA ILE 38 -0.308 12.105 2.016 283 HB ILE 38 HB ILE 38 1.200 9.742 0.895 284 1HG1 ILE 38 HG12 ILE 38 1.269 12.621 -0.058 285 2HG1 ILE 38 HG11 ILE 38 2.633 11.699 0.571 286 1HG2 ILE 38 HG22 ILE 38 -1.302 10.075 0.517 287 2HG2 ILE 38 HG21 ILE 38 -0.888 11.536 -0.373 288 3HG2 ILE 38 HG23 ILE 38 -0.330 9.965 -0.944 289 1HD1 ILE 38 HD13 ILE 38 2.114 10.011 -1.316 290 2HD1 ILE 38 HD12 ILE 38 1.145 11.305 -2.014 291 3HD1 ILE 38 HD11 ILE 38 2.875 11.536 -1.765 292 H LYS 39 HN LYS 39 1.313 10.262 4.359 293 HA LYS 39 HA LYS 39 -0.250 7.903 4.330 294 1HB LYS 39 HB2 LYS 39 0.543 7.366 6.461 295 2HB LYS 39 HB1 LYS 39 1.830 8.315 5.748 296 1HG LYS 39 HG2 LYS 39 1.335 10.207 7.105 297 2HG LYS 39 HG1 LYS 39 -0.243 9.581 7.579 298 1HD LYS 39 HD2 LYS 39 2.403 8.295 8.296 299 2HD LYS 39 HD1 LYS 39 1.506 9.378 9.355 300 1HE LYS 39 HE2 LYS 39 0.649 7.386 10.136 301 2HE LYS 39 HE1 LYS 39 -0.465 7.601 8.787 302 1HZ LYS 39 HZ3 LYS 39 2.032 6.359 8.074 303 2HZ LYS 39 HZ2 LYS 39 1.108 5.451 9.175 304 3HZ LYS 39 HZ1 LYS 39 0.444 5.910 7.678 305 HA PRO 40 HA PRO 40 -3.346 10.177 7.324 306 1HB PRO 40 HB2 PRO 40 -3.761 12.622 5.670 307 2HB PRO 40 HB1 PRO 40 -3.653 12.464 7.434 308 1HG PRO 40 HG2 PRO 40 -1.666 13.581 6.007 309 2HG PRO 40 HG1 PRO 40 -1.330 12.582 7.430 310 1HD PRO 40 HD2 PRO 40 -1.097 11.874 4.542 311 2HD PRO 40 HD1 PRO 40 -0.037 11.399 5.881 312 H PHE 41 HN PHE 41 -3.434 10.843 3.788 313 HA PHE 41 HA PHE 41 -6.264 10.291 3.587 314 1HB PHE 41 HB2 PHE 41 -4.023 10.243 1.547 315 2HB PHE 41 HB1 PHE 41 -5.712 9.971 1.140 316 HD1 PHE 41 HD2 PHE 41 -3.422 12.419 2.762 317 HD2 PHE 41 HD1 PHE 41 -7.173 11.770 0.780 318 HE1 PHE 41 HE2 PHE 41 -3.799 14.869 2.678 319 HE2 PHE 41 HE1 PHE 41 -7.554 14.219 0.694 320 HZ PHE 41 HZ PHE 41 -5.865 15.769 1.642 321 H PHE 42 HN PHE 42 -3.360 8.368 2.853 322 HA PHE 42 HA PHE 42 -4.695 5.967 2.102 323 1HB PHE 42 HB2 PHE 42 -2.305 6.402 1.691 324 2HB PHE 42 HB1 PHE 42 -1.988 6.377 3.427 325 HD1 PHE 42 HD1 PHE 42 -3.163 4.304 0.568 326 HD2 PHE 42 HD2 PHE 42 -1.701 4.327 4.603 327 HE1 PHE 42 HE1 PHE 42 -2.934 1.841 0.492 328 HE2 PHE 42 HE2 PHE 42 -1.464 1.860 4.529 329 HZ PHE 42 HZ PHE 42 -2.084 0.615 2.474 330 H HIS 43 HN HIS 43 -3.286 6.899 5.224 331 HA HIS 43 HA HIS 43 -4.251 4.605 6.644 332 1HB HIS 43 HB2 HIS 43 -2.319 5.937 7.370 333 2HB HIS 43 HB1 HIS 43 -3.363 7.332 7.637 334 HD1 HIS 43 HD1 HIS 43 -2.354 4.068 9.107 335 HD2 HIS 43 HD2 HIS 43 -5.068 7.113 9.915 336 HE1 HIS 43 HE1 HIS 43 -3.314 3.574 11.398 337 H SER 44 HN SER 44 -5.581 7.906 6.258 338 HA SER 44 HA SER 44 -7.718 7.578 8.133 339 1HB SER 44 HB2 SER 44 -7.602 9.354 5.683 340 2HB SER 44 HB1 SER 44 -8.804 9.465 6.961 341 HG SER 44 HG SER 44 -7.300 10.828 7.664 342 H LEU 45 HN LEU 45 -7.488 6.847 4.676 343 HA LEU 45 HA LEU 45 -10.245 6.297 4.251 344 1HB LEU 45 HB2 LEU 45 -7.766 5.286 2.874 345 2HB LEU 45 HB1 LEU 45 -9.381 4.884 2.314 346 HG LEU 45 HG LEU 45 -8.578 7.765 2.765 347 1HD1 LEU 45 HD13 LEU 45 -8.175 6.097 0.262 348 2HD1 LEU 45 HD12 LEU 45 -8.051 7.855 0.322 349 3HD1 LEU 45 HD11 LEU 45 -6.909 6.859 1.225 350 1HD2 LEU 45 HD22 LEU 45 -10.646 6.359 1.062 351 2HD2 LEU 45 HD21 LEU 45 -10.943 7.405 2.444 352 3HD2 LEU 45 HD23 LEU 45 -10.303 8.081 0.954 353 H SER 46 HN SER 46 -7.843 4.425 5.892 354 HA SER 46 HA SER 46 -8.781 1.814 5.478 355 1HB SER 46 HB2 SER 46 -7.853 3.028 8.097 356 2HB SER 46 HB1 SER 46 -7.933 1.307 7.739 357 HG SER 46 HG SER 46 -6.613 2.498 5.772 358 H GLU 47 HN GLU 47 -10.045 4.318 7.666 359 HA GLU 47 HA GLU 47 -12.198 2.527 8.584 360 1HB GLU 47 HB2 GLU 47 -11.631 5.473 9.076 361 2HB GLU 47 HB1 GLU 47 -12.990 4.603 9.782 362 1HG GLU 47 HG2 GLU 47 -10.077 3.847 10.155 363 2HG GLU 47 HG1 GLU 47 -11.041 4.741 11.328 364 H LYS 48 HN LYS 48 -11.675 4.734 5.963 365 HA LYS 48 HA LYS 48 -14.496 5.432 5.650 366 1HB LYS 48 HB2 LYS 48 -12.613 6.833 4.698 367 2HB LYS 48 HB1 LYS 48 -12.334 5.543 3.523 368 1HG LYS 48 HG2 LYS 48 -14.716 5.734 2.800 369 2HG LYS 48 HG1 LYS 48 -14.908 7.101 3.896 370 1HD LYS 48 HD2 LYS 48 -13.097 8.298 2.675 371 2HD LYS 48 HD1 LYS 48 -13.007 6.947 1.546 372 1HE LYS 48 HE2 LYS 48 -15.283 7.301 0.826 373 2HE LYS 48 HE1 LYS 48 -15.535 8.525 2.069 374 1HZ LYS 48 HZ3 LYS 48 -13.767 9.846 1.006 375 2HZ LYS 48 HZ2 LYS 48 -13.670 8.694 -0.237 376 3HZ LYS 48 HZ1 LYS 48 -15.095 9.592 -0.016 377 H TYR 49 HN TYR 49 -12.237 3.057 4.391 378 HA TYR 49 HA TYR 49 -14.569 1.511 3.282 379 1HB TYR 49 HB2 TYR 49 -11.726 1.649 2.197 380 2HB TYR 49 HB1 TYR 49 -12.983 0.564 1.607 381 HD1 TYR 49 HD2 TYR 49 -15.197 1.639 0.796 382 HD2 TYR 49 HD1 TYR 49 -11.532 3.829 1.289 383 HE1 TYR 49 HE2 TYR 49 -16.054 3.415 -0.707 384 HE2 TYR 49 HE1 TYR 49 -12.395 5.596 -0.228 385 HH TYR 49 HH TYR 49 -14.005 6.092 -1.748 386 H SER 50 HN SER 50 -14.396 0.879 5.676 387 HA SER 50 HA SER 50 -12.205 -0.676 6.646 388 1HB SER 50 HB2 SER 50 -13.714 -1.340 8.402 389 2HB SER 50 HB1 SER 50 -14.102 0.322 8.001 390 HG SER 50 HG SER 50 -15.898 -0.322 6.971 391 H ASN 51 HN ASN 51 -14.270 -1.216 4.120 392 HA ASN 51 HA ASN 51 -14.561 -4.117 4.356 393 1HB ASN 51 HB2 ASN 51 -16.295 -3.070 3.114 394 2HB ASN 51 HB1 ASN 51 -15.156 -2.079 2.206 395 1HD2 ASN 51 HD22 ASN 51 -16.235 -5.596 0.662 396 2HD2 ASN 51 HD21 ASN 51 -17.066 -4.841 1.932 397 H VAL 52 HN VAL 52 -12.217 -1.879 3.206 398 HA VAL 52 HA VAL 52 -10.794 -4.052 1.747 399 HB VAL 52 HB VAL 52 -10.578 -1.031 1.583 400 1HG1 VAL 52 HG13 VAL 52 -8.732 -3.209 0.671 401 2HG1 VAL 52 HG12 VAL 52 -9.004 -1.867 -0.443 402 3HG1 VAL 52 HG11 VAL 52 -8.366 -1.562 1.169 403 1HG2 VAL 52 HG22 VAL 52 -11.641 -3.210 -0.226 404 2HG2 VAL 52 HG21 VAL 52 -12.440 -1.731 0.309 405 3HG2 VAL 52 HG23 VAL 52 -11.137 -1.654 -0.869 406 H ILE 53 HN ILE 53 -8.614 -4.452 2.302 407 HA ILE 53 HA ILE 53 -7.875 -3.508 5.046 408 HB ILE 53 HB ILE 53 -6.576 -5.670 3.358 409 1HG1 ILE 53 HG12 ILE 53 -8.903 -6.304 3.646 410 2HG1 ILE 53 HG11 ILE 53 -7.925 -7.268 4.748 411 1HG2 ILE 53 HG23 ILE 53 -5.478 -4.565 5.484 412 2HG2 ILE 53 HG22 ILE 53 -6.618 -5.563 6.368 413 3HG2 ILE 53 HG21 ILE 53 -5.442 -6.315 5.295 414 1HD1 ILE 53 HD11 ILE 53 -8.443 -5.443 6.507 415 2HD1 ILE 53 HD13 ILE 53 -9.711 -4.924 5.398 416 3HD1 ILE 53 HD12 ILE 53 -9.745 -6.551 6.075 417 H PHE 54 HN PHE 54 -6.468 -1.785 5.094 418 HA PHE 54 HA PHE 54 -4.712 -1.283 2.729 419 1HB PHE 54 HB2 PHE 54 -5.301 0.426 5.168 420 2HB PHE 54 HB1 PHE 54 -4.269 0.902 3.827 421 HD1 PHE 54 HD1 PHE 54 -7.739 -0.357 4.506 422 HD2 PHE 54 HD2 PHE 54 -5.214 2.087 2.033 423 HE1 PHE 54 HE1 PHE 54 -9.736 0.495 3.302 424 HE2 PHE 54 HE2 PHE 54 -7.214 2.923 0.820 425 HZ PHE 54 HZ PHE 54 -9.470 2.125 1.456 426 H LEU 55 HN LEU 55 -2.599 -1.886 2.809 427 HA LEU 55 HA LEU 55 -1.332 -2.431 5.476 428 1HB LEU 55 HB2 LEU 55 -0.679 -3.555 2.728 429 2HB LEU 55 HB1 LEU 55 0.369 -3.764 4.128 430 HG LEU 55 HG LEU 55 -1.327 -5.045 5.282 431 1HD1 LEU 55 HD13 LEU 55 -3.117 -4.086 3.066 432 2HD1 LEU 55 HD12 LEU 55 -3.488 -5.582 3.925 433 3HD1 LEU 55 HD11 LEU 55 -3.373 -4.069 4.808 434 1HD2 LEU 55 HD23 LEU 55 -1.028 -5.860 2.378 435 2HD2 LEU 55 HD22 LEU 55 -0.030 -6.369 3.740 436 3HD2 LEU 55 HD21 LEU 55 -1.703 -6.913 3.623 437 H GLU 56 HN GLU 56 0.611 -1.426 5.962 438 HA GLU 56 HA GLU 56 1.570 0.635 3.996 439 1HB GLU 56 HB2 GLU 56 0.749 1.491 6.238 440 2HB GLU 56 HB1 GLU 56 2.046 0.568 6.998 441 1HG GLU 56 HG2 GLU 56 3.685 1.799 5.531 442 2HG GLU 56 HG1 GLU 56 2.350 2.814 4.983 443 H VAL 57 HN VAL 57 3.605 0.292 3.195 444 HA VAL 57 HA VAL 57 5.332 -1.752 4.574 445 HB VAL 57 HB VAL 57 5.057 -1.294 1.593 446 1HG1 VAL 57 HG12 VAL 57 6.578 -3.309 3.260 447 2HG1 VAL 57 HG11 VAL 57 6.353 -3.446 1.517 448 3HG1 VAL 57 HG13 VAL 57 7.267 -2.091 2.183 449 1HG2 VAL 57 HG23 VAL 57 3.959 -3.434 3.422 450 2HG2 VAL 57 HG22 VAL 57 3.036 -2.308 2.434 451 3HG2 VAL 57 HG21 VAL 57 3.997 -3.573 1.666 452 H ASP 58 HN ASP 58 7.422 -1.160 4.904 453 HA ASP 58 HA ASP 58 8.293 1.546 4.002 454 1HB ASP 58 HB2 ASP 58 8.436 0.817 6.429 455 2HB ASP 58 HB1 ASP 58 9.662 -0.351 5.915 456 H VAL 59 HN VAL 59 9.541 1.589 2.150 457 HA VAL 59 HA VAL 59 10.665 -0.821 1.009 458 HB VAL 59 HB VAL 59 11.898 0.762 -0.492 459 1HG1 VAL 59 HG11 VAL 59 8.968 1.308 0.033 460 2HG1 VAL 59 HG13 VAL 59 9.824 1.885 -1.398 461 3HG1 VAL 59 HG12 VAL 59 9.643 0.153 -1.113 462 1HG2 VAL 59 HG21 VAL 59 10.612 2.860 1.285 463 2HG2 VAL 59 HG23 VAL 59 12.340 2.525 1.173 464 3HG2 VAL 59 HG22 VAL 59 11.478 3.189 -0.216 465 H ASP 60 HN ASP 60 11.699 1.403 3.448 466 HA ASP 60 HA ASP 60 14.540 0.596 3.217 467 1HB ASP 60 HB2 ASP 60 13.011 2.594 4.857 468 2HB ASP 60 HB1 ASP 60 14.641 2.149 5.317 469 H ASP 61 HN ASP 61 11.900 0.217 5.649 470 HA ASP 61 HA ASP 61 13.688 -1.614 7.191 471 1HB ASP 61 HB2 ASP 61 10.883 -0.627 7.824 472 2HB ASP 61 HB1 ASP 61 11.898 -1.601 8.885 473 H ALA 62 HN ALA 62 11.265 -1.684 4.820 474 HA ALA 62 HA ALA 62 10.887 -4.626 5.217 475 1HB ALA 62 HB2 ALA 62 8.846 -2.955 5.582 476 2HB ALA 62 HB1 ALA 62 8.796 -2.975 3.820 477 3HB ALA 62 HB3 ALA 62 8.611 -4.478 4.725 478 H GLN 63 HN GLN 63 12.953 -3.331 3.790 479 HA GLN 63 HA GLN 63 12.487 -2.953 1.023 480 1HB GLN 63 HB2 GLN 63 14.877 -3.158 0.755 481 2HB GLN 63 HB1 GLN 63 14.591 -2.364 2.303 482 1HG GLN 63 HG2 GLN 63 14.739 -4.666 3.376 483 2HG GLN 63 HG1 GLN 63 15.337 -5.254 1.824 484 1HE2 GLN 63 HE22 GLN 63 17.983 -3.636 4.268 485 2HE2 GLN 63 HE21 GLN 63 16.510 -4.339 4.737 486 H ASP 64 HN ASP 64 12.611 -5.877 2.884 487 HA ASP 64 HA ASP 64 13.355 -7.656 0.767 488 1HB ASP 64 HB2 ASP 64 12.180 -9.388 2.205 489 2HB ASP 64 HB1 ASP 64 13.428 -8.460 3.032 490 H VAL 65 HN VAL 65 10.250 -6.333 1.865 491 HA VAL 65 HA VAL 65 8.634 -7.875 0.040 492 HB VAL 65 HB VAL 65 7.969 -5.135 1.167 493 1HG1 VAL 65 HG11 VAL 65 6.490 -6.182 -0.587 494 2HG1 VAL 65 HG13 VAL 65 6.190 -7.507 0.538 495 3HG1 VAL 65 HG12 VAL 65 5.682 -5.868 0.949 496 1HG2 VAL 65 HG23 VAL 65 8.082 -7.818 2.515 497 2HG2 VAL 65 HG22 VAL 65 8.508 -6.236 3.153 498 3HG2 VAL 65 HG21 VAL 65 6.814 -6.691 2.981 499 H ALA 66 HN ALA 66 9.945 -4.558 -0.020 500 HA ALA 66 HA ALA 66 8.842 -3.900 -2.590 501 1HB ALA 66 HB2 ALA 66 9.790 -2.359 -0.679 502 2HB ALA 66 HB1 ALA 66 11.320 -2.562 -1.533 503 3HB ALA 66 HB3 ALA 66 9.932 -1.853 -2.362 504 H SER 67 HN SER 67 11.983 -5.224 -1.592 505 HA SER 67 HA SER 67 13.303 -4.932 -4.096 506 1HB SER 67 HB2 SER 67 14.791 -6.744 -3.308 507 2HB SER 67 HB1 SER 67 14.492 -5.565 -2.035 508 HG SER 67 HG SER 67 13.260 -8.099 -2.399 509 H GLU 68 HN GLU 68 11.143 -7.466 -2.896 510 HA GLU 68 HA GLU 68 11.492 -9.274 -5.087 511 1HB GLU 68 HB2 GLU 68 10.404 -9.836 -2.911 512 2HB GLU 68 HB1 GLU 68 9.014 -8.861 -3.387 513 1HG GLU 68 HG2 GLU 68 8.472 -11.129 -3.942 514 2HG GLU 68 HG1 GLU 68 8.852 -10.331 -5.466 515 H ALA 69 HN ALA 69 9.306 -6.537 -4.581 516 HA ALA 69 HA ALA 69 7.946 -6.984 -7.136 517 1HB ALA 69 HB1 ALA 69 7.809 -4.780 -5.068 518 2HB ALA 69 HB3 ALA 69 6.841 -4.781 -6.542 519 3HB ALA 69 HB2 ALA 69 6.630 -6.060 -5.346 520 H GLU 70 HN GLU 70 10.921 -5.738 -6.328 521 HA GLU 70 HA GLU 70 12.439 -4.345 -7.444 522 1HB GLU 70 HB2 GLU 70 10.615 -4.949 -9.793 523 2HB GLU 70 HB1 GLU 70 12.214 -4.220 -9.909 524 1HG GLU 70 HG2 GLU 70 11.680 -6.928 -8.672 525 2HG GLU 70 HG1 GLU 70 12.200 -6.681 -10.338 526 H VAL 71 HN VAL 71 10.650 -2.862 -5.982 527 HA VAL 71 HA VAL 71 9.111 -1.001 -7.519 528 HB VAL 71 HB VAL 71 10.468 -0.462 -4.852 529 1HG1 VAL 71 HG13 VAL 71 8.049 0.700 -6.271 530 2HG1 VAL 71 HG12 VAL 71 8.437 1.021 -4.583 531 3HG1 VAL 71 HG11 VAL 71 9.545 1.538 -5.859 532 1HG2 VAL 71 HG22 VAL 71 7.857 -1.866 -5.541 533 2HG2 VAL 71 HG21 VAL 71 9.205 -2.510 -4.606 534 3HG2 VAL 71 HG23 VAL 71 8.204 -1.223 -3.936 535 H LYS 72 HN LYS 72 9.758 0.697 -8.728 536 HA LYS 72 HA LYS 72 12.650 1.372 -8.749 537 1HB LYS 72 HB2 LYS 72 10.469 1.958 -10.761 538 2HB LYS 72 HB1 LYS 72 12.178 2.343 -10.964 539 1HG LYS 72 HG2 LYS 72 12.595 -0.188 -10.536 540 2HG LYS 72 HG1 LYS 72 10.872 -0.388 -10.853 541 1HD LYS 72 HD2 LYS 72 11.144 0.698 -13.052 542 2HD LYS 72 HD1 LYS 72 12.866 0.915 -12.736 543 1HE LYS 72 HE2 LYS 72 11.439 -1.760 -12.849 544 2HE LYS 72 HE1 LYS 72 12.441 -1.088 -14.136 545 1HZ LYS 72 HZ2 LYS 72 14.306 -1.033 -12.574 546 2HZ LYS 72 HZ1 LYS 72 13.332 -1.752 -11.382 547 3HZ LYS 72 HZ3 LYS 72 13.715 -2.611 -12.793 548 H ALA 73 HN ALA 73 9.687 2.633 -7.602 549 HA ALA 73 HA ALA 73 11.021 5.105 -6.839 550 1HB ALA 73 HB1 ALA 73 10.285 5.405 -9.274 551 2HB ALA 73 HB3 ALA 73 8.637 5.432 -8.645 552 3HB ALA 73 HB2 ALA 73 9.802 6.648 -8.128 553 H THR 74 HN THR 74 9.733 6.397 -5.356 554 HA THR 74 HA THR 74 7.235 5.078 -4.353 555 HB THR 74 HB THR 74 7.963 5.464 -2.063 556 HG1 THR 74 HG1 THR 74 9.599 7.201 -3.326 557 1HG2 THR 74 HG23 THR 74 10.194 4.314 -3.725 558 2HG2 THR 74 HG22 THR 74 10.080 4.168 -1.976 559 3HG2 THR 74 HG21 THR 74 8.854 3.428 -3.007 560 HA PRO 75 HA PRO 75 5.855 5.732 -2.505 561 1HB PRO 75 HB2 PRO 75 3.286 6.734 -2.555 562 2HB PRO 75 HB1 PRO 75 4.513 7.198 -1.366 563 1HG PRO 75 HG2 PRO 75 3.500 8.726 -3.706 564 2HG PRO 75 HG1 PRO 75 4.171 9.319 -2.179 565 1HD PRO 75 HD2 PRO 75 5.537 9.223 -4.656 566 2HD PRO 75 HD1 PRO 75 6.297 9.454 -3.057 567 H THR 76 HN THR 76 4.894 3.873 -3.188 568 HA THR 76 HA THR 76 3.484 3.895 -5.832 569 HB THR 76 HB THR 76 5.354 1.730 -4.833 570 HG1 THR 76 HG1 THR 76 5.704 3.344 -7.100 571 1HG2 THR 76 HG22 THR 76 3.589 2.036 -7.257 572 2HG2 THR 76 HG21 THR 76 5.021 1.010 -7.302 573 3HG2 THR 76 HG23 THR 76 3.724 0.662 -6.159 574 H PHE 77 HN PHE 77 1.607 2.821 -5.828 575 HA PHE 77 HA PHE 77 0.804 1.371 -3.327 576 1HB PHE 77 HB2 PHE 77 -0.906 2.836 -5.363 577 2HB PHE 77 HB1 PHE 77 -1.504 2.019 -3.915 578 HD1 PHE 77 HD1 PHE 77 -0.976 2.897 -1.661 579 HD2 PHE 77 HD2 PHE 77 0.258 4.948 -5.231 580 HE1 PHE 77 HE1 PHE 77 -0.505 4.935 -0.327 581 HE2 PHE 77 HE2 PHE 77 0.727 6.988 -3.896 582 HZ PHE 77 HZ PHE 77 0.347 6.979 -1.443 583 H GLN 78 HN GLN 78 0.305 -0.767 -3.580 584 HA GLN 78 HA GLN 78 -0.197 -1.772 -6.369 585 1HB GLN 78 HB2 GLN 78 1.349 -3.055 -4.102 586 2HB GLN 78 HB1 GLN 78 0.850 -3.916 -5.561 587 1HG GLN 78 HG2 GLN 78 2.044 -2.153 -6.911 588 2HG GLN 78 HG1 GLN 78 2.675 -1.503 -5.402 589 1HE2 GLN 78 HE22 GLN 78 5.411 -3.692 -5.938 590 2HE2 GLN 78 HE21 GLN 78 4.891 -2.077 -5.923 591 H PHE 79 HN PHE 79 -1.885 -3.129 -6.614 592 HA PHE 79 HA PHE 79 -3.649 -3.497 -4.224 593 1HB PHE 79 HB2 PHE 79 -4.240 -3.414 -7.191 594 2HB PHE 79 HB1 PHE 79 -5.443 -3.736 -5.939 595 HD1 PHE 79 HD2 PHE 79 -2.994 -1.227 -7.185 596 HD2 PHE 79 HD1 PHE 79 -6.313 -1.994 -4.579 597 HE1 PHE 79 HE2 PHE 79 -3.178 1.199 -6.710 598 HE2 PHE 79 HE1 PHE 79 -6.490 0.432 -4.087 599 HZ PHE 79 HZ PHE 79 -4.927 2.029 -5.159 600 H PHE 80 HN PHE 80 -4.117 -5.471 -3.523 601 HA PHE 80 HA PHE 80 -3.505 -7.826 -5.256 602 1HB PHE 80 HB2 PHE 80 -2.883 -7.398 -2.335 603 2HB PHE 80 HB1 PHE 80 -2.942 -9.003 -3.058 604 HD1 PHE 80 HD2 PHE 80 -1.125 -5.777 -2.956 605 HD2 PHE 80 HD1 PHE 80 -1.294 -9.722 -4.673 606 HE1 PHE 80 HE2 PHE 80 1.200 -5.528 -3.777 607 HE2 PHE 80 HE1 PHE 80 1.031 -9.463 -5.492 608 HZ PHE 80 HZ PHE 80 2.278 -7.366 -5.043 609 H LYS 81 HN LYS 81 -4.913 -9.603 -5.014 610 HA LYS 81 HA LYS 81 -7.176 -9.365 -3.120 611 1HB LYS 81 HB2 LYS 81 -7.721 -8.170 -5.369 612 2HB LYS 81 HB1 LYS 81 -7.758 -9.791 -6.059 613 1HG LYS 81 HG2 LYS 81 -9.426 -10.440 -4.304 614 2HG LYS 81 HG1 LYS 81 -9.458 -8.757 -3.778 615 1HD LYS 81 HD2 LYS 81 -9.998 -8.173 -6.224 616 2HD LYS 81 HD1 LYS 81 -10.326 -9.893 -6.437 617 1HE LYS 81 HE2 LYS 81 -12.050 -9.835 -4.737 618 2HE LYS 81 HE1 LYS 81 -11.647 -8.167 -4.327 619 1HZ LYS 81 HZ3 LYS 81 -12.435 -8.940 -7.066 620 2HZ LYS 81 HZ2 LYS 81 -13.595 -8.547 -5.888 621 3HZ LYS 81 HZ1 LYS 81 -12.437 -7.397 -6.361 622 H LYS 82 HN LYS 82 -7.452 -11.397 -2.309 623 HA LYS 82 HA LYS 82 -7.281 -13.724 -2.105 624 1HB LYS 82 HB2 LYS 82 -7.587 -13.580 -5.133 625 2HB LYS 82 HB1 LYS 82 -7.621 -15.066 -4.196 626 1HG LYS 82 HG2 LYS 82 -9.498 -13.961 -2.828 627 2HG LYS 82 HG1 LYS 82 -9.589 -12.776 -4.133 628 1HD LYS 82 HD2 LYS 82 -9.791 -14.768 -5.728 629 2HD LYS 82 HD1 LYS 82 -10.048 -15.762 -4.293 630 1HE LYS 82 HE2 LYS 82 -11.961 -14.329 -3.653 631 2HE LYS 82 HE1 LYS 82 -11.716 -13.364 -5.108 632 1HZ LYS 82 HZ2 LYS 82 -11.891 -16.206 -5.573 633 2HZ LYS 82 HZ1 LYS 82 -13.315 -15.515 -4.957 634 3HZ LYS 82 HZ3 LYS 82 -12.639 -14.922 -6.394 635 H GLY 83 HN GLY 83 -4.904 -11.981 -2.486 636 1HA GLY 83 HA2 GLY 83 -2.592 -12.425 -2.446 637 2HA GLY 83 HA1 GLY 83 -2.947 -14.106 -2.842 638 H GLN 84 HN GLN 84 -4.478 -11.876 -4.947 639 HA GLN 84 HA GLN 84 -2.383 -12.380 -7.031 640 1HB GLN 84 HB2 GLN 84 -5.339 -11.862 -7.451 641 2HB GLN 84 HB1 GLN 84 -4.159 -12.241 -8.699 642 1HG GLN 84 HG2 GLN 84 -4.889 -14.087 -6.409 643 2HG GLN 84 HG1 GLN 84 -5.524 -14.218 -8.048 644 1HE2 GLN 84 HE22 GLN 84 -1.612 -15.221 -7.334 645 2HE2 GLN 84 HE21 GLN 84 -2.433 -14.210 -6.245 646 H LYS 85 HN LYS 85 -1.504 -10.647 -8.064 647 HA LYS 85 HA LYS 85 -2.207 -7.931 -7.164 648 1HB LYS 85 HB2 LYS 85 0.151 -8.700 -7.620 649 2HB LYS 85 HB1 LYS 85 -0.274 -8.815 -9.328 650 1HG LYS 85 HG2 LYS 85 -0.916 -6.405 -9.287 651 2HG LYS 85 HG1 LYS 85 -0.350 -6.316 -7.619 652 1HD LYS 85 HD2 LYS 85 1.893 -7.126 -8.397 653 2HD LYS 85 HD1 LYS 85 1.308 -7.013 -10.058 654 1HE LYS 85 HE2 LYS 85 0.799 -4.607 -9.677 655 2HE LYS 85 HE1 LYS 85 1.507 -4.738 -8.067 656 1HZ LYS 85 HZ3 LYS 85 3.417 -5.807 -9.639 657 2HZ LYS 85 HZ2 LYS 85 2.796 -4.580 -10.638 658 3HZ LYS 85 HZ1 LYS 85 3.399 -4.201 -9.095 659 H VAL 86 HN VAL 86 -3.792 -6.774 -8.157 660 HA VAL 86 HA VAL 86 -4.386 -7.339 -11.042 661 HB VAL 86 HB VAL 86 -6.767 -6.769 -10.493 662 1HG1 VAL 86 HG11 VAL 86 -5.805 -9.134 -10.589 663 2HG1 VAL 86 HG13 VAL 86 -5.733 -9.081 -8.827 664 3HG1 VAL 86 HG12 VAL 86 -7.287 -8.953 -9.651 665 1HG2 VAL 86 HG22 VAL 86 -6.132 -5.543 -8.353 666 2HG2 VAL 86 HG21 VAL 86 -7.476 -6.671 -8.194 667 3HG2 VAL 86 HG23 VAL 86 -5.872 -7.124 -7.617 668 H GLY 87 HN GLY 87 -2.820 -5.131 -9.408 669 1HA GLY 87 HA2 GLY 87 -3.352 -3.020 -11.252 670 2HA GLY 87 HA1 GLY 87 -4.256 -2.687 -9.779 671 H GLU 88 HN GLU 88 -2.089 -1.115 -10.835 672 HA GLU 88 HA GLU 88 -0.531 -0.785 -8.428 673 1HB GLU 88 HB2 GLU 88 1.005 -2.416 -8.961 674 2HB GLU 88 HB1 GLU 88 0.541 -2.433 -10.651 675 1HG GLU 88 HG2 GLU 88 2.874 -1.697 -10.356 676 2HG GLU 88 HG1 GLU 88 1.901 -0.407 -11.054 677 H PHE 89 HN PHE 89 0.600 1.243 -8.480 678 HA PHE 89 HA PHE 89 0.982 2.710 -10.927 679 1HB PHE 89 HB2 PHE 89 -0.742 4.308 -10.884 680 2HB PHE 89 HB1 PHE 89 -1.569 2.798 -10.539 681 HD1 PHE 89 HD1 PHE 89 -0.008 5.761 -8.880 682 HD2 PHE 89 HD2 PHE 89 -2.876 2.578 -8.579 683 HE1 PHE 89 HE1 PHE 89 -0.894 6.763 -6.794 684 HE2 PHE 89 HE2 PHE 89 -3.766 3.581 -6.489 685 HZ PHE 89 HZ PHE 89 -2.784 5.682 -5.606 686 H SER 90 HN SER 90 1.918 4.876 -10.508 687 HA SER 90 HA SER 90 2.945 5.189 -7.699 688 1HB SER 90 HB2 SER 90 5.076 5.965 -8.659 689 2HB SER 90 HB1 SER 90 4.726 4.309 -9.162 690 HG SER 90 HG SER 90 4.527 4.980 -11.157 691 H GLY 91 HN GLY 91 3.654 7.420 -7.208 692 1HA GLY 91 HA2 GLY 91 3.694 9.802 -8.054 693 2HA GLY 91 HA1 GLY 91 2.129 9.485 -8.786 694 H ALA 92 HN ALA 92 3.032 11.422 -6.591 695 HA ALA 92 HA ALA 92 1.708 10.468 -4.173 696 1HB ALA 92 HB3 ALA 92 2.684 13.197 -5.044 697 2HB ALA 92 HB2 ALA 92 1.971 12.891 -3.466 698 3HB ALA 92 HB1 ALA 92 3.474 12.092 -3.926 699 H ASN 93 HN ASN 93 -0.273 9.937 -5.715 700 HA ASN 93 HA ASN 93 -2.169 12.268 -5.663 701 1HB ASN 93 HB2 ASN 93 -1.582 11.323 -7.953 702 2HB ASN 93 HB1 ASN 93 -2.359 9.824 -7.442 703 1HD2 ASN 93 HD22 ASN 93 -5.222 12.588 -7.019 704 2HD2 ASN 93 HD21 ASN 93 -3.952 12.379 -5.913 705 H LYS 94 HN LYS 94 -3.047 11.863 -3.619 706 HA LYS 94 HA LYS 94 -3.692 9.226 -2.646 707 1HB LYS 94 HB2 LYS 94 -5.014 10.500 -0.946 708 2HB LYS 94 HB1 LYS 94 -3.325 10.976 -1.067 709 1HG LYS 94 HG2 LYS 94 -5.012 12.530 -2.911 710 2HG LYS 94 HG1 LYS 94 -5.574 12.688 -1.251 711 1HD LYS 94 HD2 LYS 94 -3.191 13.234 -0.592 712 2HD LYS 94 HD1 LYS 94 -2.799 13.286 -2.316 713 1HE LYS 94 HE2 LYS 94 -4.945 14.945 -0.963 714 2HE LYS 94 HE1 LYS 94 -3.344 15.538 -1.409 715 1HZ LYS 94 HZ2 LYS 94 -3.944 14.697 -3.728 716 2HZ LYS 94 HZ1 LYS 94 -5.548 14.675 -3.169 717 3HZ LYS 94 HZ3 LYS 94 -4.681 16.132 -3.193 718 H GLU 95 HN GLU 95 -5.563 11.647 -4.443 719 HA GLU 95 HA GLU 95 -8.144 10.500 -4.009 720 1HB GLU 95 HB2 GLU 95 -7.066 12.030 -6.396 721 2HB GLU 95 HB1 GLU 95 -8.769 11.711 -6.086 722 1HG GLU 95 HG2 GLU 95 -6.955 13.183 -4.161 723 2HG GLU 95 HG1 GLU 95 -8.014 13.984 -5.323 724 H LYS 96 HN LYS 96 -5.534 9.735 -6.179 725 HA LYS 96 HA LYS 96 -6.907 8.109 -8.048 726 1HB LYS 96 HB2 LYS 96 -4.527 8.977 -8.117 727 2HB LYS 96 HB1 LYS 96 -4.097 7.671 -7.027 728 1HG LYS 96 HG2 LYS 96 -4.583 6.002 -8.613 729 2HG LYS 96 HG1 LYS 96 -5.547 7.096 -9.609 730 1HD LYS 96 HD2 LYS 96 -3.531 8.376 -10.187 731 2HD LYS 96 HD1 LYS 96 -2.553 7.314 -9.175 732 1HE LYS 96 HE2 LYS 96 -3.141 5.392 -10.590 733 2HE LYS 96 HE1 LYS 96 -4.174 6.424 -11.581 734 1HZ LYS 96 HZ1 LYS 96 -1.784 7.733 -11.501 735 2HZ LYS 96 HZ3 LYS 96 -1.337 6.103 -11.644 736 3HZ LYS 96 HZ2 LYS 96 -2.371 6.803 -12.796 737 H LEU 97 HN LEU 97 -5.630 7.405 -4.832 738 HA LEU 97 HA LEU 97 -5.838 4.566 -4.876 739 1HB LEU 97 HB2 LEU 97 -6.246 6.592 -2.658 740 2HB LEU 97 HB1 LEU 97 -6.251 4.859 -2.375 741 HG LEU 97 HG LEU 97 -3.948 6.273 -3.717 742 1HD1 LEU 97 HD11 LEU 97 -4.387 5.693 -0.779 743 2HD1 LEU 97 HD13 LEU 97 -2.852 6.218 -1.469 744 3HD1 LEU 97 HD12 LEU 97 -4.258 7.280 -1.524 745 1HD2 LEU 97 HD23 LEU 97 -4.569 3.501 -3.232 746 2HD2 LEU 97 HD22 LEU 97 -3.089 4.172 -3.899 747 3HD2 LEU 97 HD21 LEU 97 -3.232 3.927 -2.166 748 H GLU 98 HN GLU 98 -8.152 7.123 -4.262 749 HA GLU 98 HA GLU 98 -10.313 5.489 -3.340 750 1HB GLU 98 HB2 GLU 98 -10.203 7.962 -3.104 751 2HB GLU 98 HB1 GLU 98 -10.482 8.113 -4.838 752 1HG GLU 98 HG2 GLU 98 -12.637 6.877 -4.567 753 2HG GLU 98 HG1 GLU 98 -12.365 6.847 -2.825 754 H ALA 99 HN ALA 99 -9.491 6.580 -6.633 755 HA ALA 99 HA ALA 99 -11.867 5.479 -7.816 756 1HB ALA 99 HB1 ALA 99 -9.179 6.188 -9.012 757 2HB ALA 99 HB3 ALA 99 -10.568 5.679 -9.972 758 3HB ALA 99 HB2 ALA 99 -10.649 7.163 -9.023 759 H THR 100 HN THR 100 -8.572 4.114 -7.508 760 HA THR 100 HA THR 100 -9.196 1.744 -8.992 761 HB THR 100 HB THR 100 -7.129 1.979 -6.791 762 HG1 THR 100 HG1 THR 100 -7.045 3.646 -8.441 763 1HG2 THR 100 HG23 THR 100 -7.475 0.201 -9.218 764 2HG2 THR 100 HG22 THR 100 -5.959 0.328 -8.331 765 3HG2 THR 100 HG21 THR 100 -7.402 -0.292 -7.527 766 H ILE 101 HN ILE 101 -9.452 2.519 -5.535 767 HA ILE 101 HA ILE 101 -10.108 -0.109 -4.590 768 HB ILE 101 HB ILE 101 -10.919 2.658 -3.632 769 1HG1 ILE 101 HG12 ILE 101 -9.059 0.681 -2.298 770 2HG1 ILE 101 HG11 ILE 101 -8.476 1.779 -3.546 771 1HG2 ILE 101 HG23 ILE 101 -11.520 -0.067 -2.488 772 2HG2 ILE 101 HG22 ILE 101 -11.468 1.371 -1.469 773 3HG2 ILE 101 HG21 ILE 101 -12.636 1.263 -2.785 774 1HD1 ILE 101 HD13 ILE 101 -9.336 3.701 -2.219 775 2HD1 ILE 101 HD12 ILE 101 -9.834 2.579 -0.955 776 3HD1 ILE 101 HD11 ILE 101 -8.124 2.774 -1.337 777 H ASN 102 HN ASN 102 -12.181 2.582 -5.645 778 HA ASN 102 HA ASN 102 -14.669 1.210 -5.457 779 1HB ASN 102 HB2 ASN 102 -14.403 3.679 -5.793 780 2HB ASN 102 HB1 ASN 102 -13.864 3.364 -7.442 781 1HD2 ASN 102 HD22 ASN 102 -17.781 3.553 -6.715 782 2HD2 ASN 102 HD21 ASN 102 -16.591 4.108 -5.639 783 H GLU 103 HN GLU 103 -12.192 1.351 -7.930 784 HA GLU 103 HA GLU 103 -13.674 0.075 -10.022 785 1HB GLU 103 HB2 GLU 103 -11.489 1.405 -10.178 786 2HB GLU 103 HB1 GLU 103 -10.682 -0.043 -9.590 787 1HG GLU 103 HG2 GLU 103 -12.481 -0.064 -12.022 788 2HG GLU 103 HG1 GLU 103 -10.742 0.207 -12.119 789 H LEU 104 HN LEU 104 -11.531 -1.188 -7.464 790 HA LEU 104 HA LEU 104 -12.073 -3.971 -8.378 791 1HB LEU 104 HB2 LEU 104 -10.145 -2.836 -6.361 792 2HB LEU 104 HB1 LEU 104 -10.319 -4.556 -6.669 793 HG LEU 104 HG LEU 104 -9.562 -2.482 -8.749 794 1HD1 LEU 104 HD11 LEU 104 -7.866 -4.456 -7.195 795 2HD1 LEU 104 HD13 LEU 104 -7.295 -3.500 -8.564 796 3HD1 LEU 104 HD12 LEU 104 -7.801 -2.697 -7.078 797 1HD2 LEU 104 HD22 LEU 104 -9.947 -5.477 -8.784 798 2HD2 LEU 104 HD21 LEU 104 -10.452 -4.279 -9.976 799 3HD2 LEU 104 HD23 LEU 104 -8.759 -4.747 -9.862 800 H VAL 105 HN VAL 105 -13.523 -1.820 -6.230 801 HA VAL 105 HA VAL 105 -13.857 -3.537 -3.946 802 HB VAL 105 HB VAL 105 -14.397 -1.039 -4.025 803 1HG1 VAL 105 HG13 VAL 105 -15.848 -1.391 -6.145 804 2HG1 VAL 105 HG12 VAL 105 -17.098 -1.941 -5.040 805 3HG1 VAL 105 HG11 VAL 105 -16.465 -0.299 -4.911 806 1HG2 VAL 105 HG22 VAL 105 -15.037 -2.567 -2.152 807 2HG2 VAL 105 HG21 VAL 105 -16.210 -1.270 -2.386 808 3HG2 VAL 105 HG23 VAL 105 -16.562 -2.895 -2.974 809 HA PRO 59 HA PRO 106 14.935 15.385 -12.961 810 1HB PRO 59 HB2 PRO 106 17.230 14.504 -11.683 811 2HB PRO 59 HB1 PRO 106 17.190 15.093 -13.358 812 1HG PRO 59 HG2 PRO 106 17.985 16.538 -10.866 813 2HG PRO 59 HG1 PRO 106 18.736 16.565 -12.474 814 1HD PRO 59 HD2 PRO 106 17.124 18.575 -11.622 815 2HD PRO 59 HD1 PRO 106 17.173 18.073 -13.328 816 H ALA 60 HN ALA 107 15.243 17.036 -9.929 817 HA ALA 60 HA ALA 107 14.401 14.610 -8.404 818 1HB ALA 60 HB2 ALA 107 15.197 17.379 -7.449 819 2HB ALA 60 HB1 ALA 107 14.804 16.010 -6.408 820 3HB ALA 60 HB3 ALA 107 16.230 15.950 -7.445 821 H THR 61 HN THR 108 12.255 14.304 -8.301 822 HA THR 61 HA THR 108 10.416 16.677 -8.354 823 HB THR 61 HB THR 108 9.776 13.764 -8.914 824 HG1 THR 61 HG1 THR 108 11.286 14.838 -10.388 825 1HG2 THR 61 HG22 THR 108 7.901 15.278 -8.218 826 2HG2 THR 61 HG21 THR 108 8.276 16.302 -9.603 827 3HG2 THR 61 HG23 THR 108 7.726 14.646 -9.855 828 H LEU 62 HN LEU 109 9.269 17.090 -6.511 829 HA LEU 62 HA LEU 109 9.718 15.585 -4.102 830 1HB LEU 62 HB2 LEU 109 7.667 17.691 -4.826 831 2HB LEU 62 HB1 LEU 109 7.825 17.021 -3.205 832 HG LEU 62 HG LEU 109 10.207 18.221 -4.629 833 1HD1 LEU 62 HD13 LEU 109 8.089 19.643 -2.992 834 2HD1 LEU 62 HD12 LEU 109 9.672 20.332 -3.353 835 3HD1 LEU 62 HD11 LEU 109 8.545 19.977 -4.663 836 1HD2 LEU 62 HD21 LEU 109 9.456 17.725 -1.727 837 2HD2 LEU 62 HD23 LEU 109 10.777 16.985 -2.631 838 3HD2 LEU 62 HD22 LEU 109 10.844 18.692 -2.212 839 H LYS 63 HN LYS 110 7.175 15.546 -6.531 840 HA LYS 63 HA LYS 110 5.220 14.068 -5.091 841 1HB LYS 63 HB2 LYS 110 5.860 14.033 -8.055 842 2HB LYS 63 HB1 LYS 110 4.383 13.399 -7.338 843 1HG LYS 63 HG2 LYS 110 5.236 16.257 -6.856 844 2HG LYS 63 HG1 LYS 110 4.336 15.816 -8.304 845 1HD LYS 63 HD2 LYS 110 2.612 14.743 -6.758 846 2HD LYS 63 HD1 LYS 110 3.452 15.530 -5.421 847 1HE LYS 63 HE2 LYS 110 3.099 17.724 -6.510 848 2HE LYS 63 HE1 LYS 110 2.236 16.921 -7.823 849 1HZ LYS 63 HZ1 LYS 110 1.434 16.634 -4.989 850 2HZ LYS 63 HZ3 LYS 110 0.829 17.870 -5.979 851 3HZ LYS 63 HZ2 LYS 110 0.536 16.245 -6.378 852 H ILE 64 HN ILE 111 8.205 13.083 -6.587 853 HA ILE 64 HA ILE 111 7.666 10.238 -5.774 854 HB ILE 64 HB ILE 111 9.068 11.291 -8.256 855 1HG1 ILE 64 HG12 ILE 111 6.636 11.215 -8.469 856 2HG1 ILE 64 HG11 ILE 111 7.356 9.940 -9.443 857 1HG2 ILE 64 HG21 ILE 111 8.988 8.532 -7.050 858 2HG2 ILE 64 HG23 ILE 111 9.265 8.785 -8.774 859 3HG2 ILE 64 HG22 ILE 111 10.394 9.452 -7.593 860 1HD1 ILE 64 HD11 ILE 111 6.980 8.516 -7.200 861 2HD1 ILE 64 HD13 ILE 111 5.726 9.728 -6.945 862 3HD1 ILE 64 HD12 ILE 111 5.701 8.718 -8.388 863 H CYS 65 HN CYS 112 9.371 9.253 -4.658 864 HA CYS 65 HA CYS 112 11.719 10.984 -4.037 865 1HB CYS 65 HB2 CYS 112 11.045 8.386 -2.641 866 2HB CYS 65 HB1 CYS 112 12.033 9.712 -2.048 867 H SER 66 HN SER 113 13.669 10.438 -4.967 868 HA SER 66 HA SER 113 13.751 8.143 -6.770 869 1HB SER 66 HB2 SER 113 15.896 10.137 -5.986 870 2HB SER 66 HB1 SER 113 16.060 8.932 -7.260 871 HG SER 66 HG SER 113 13.976 10.856 -7.142 872 H TRP 67 HN TRP 114 14.936 6.249 -6.546 873 HA TRP 67 HA TRP 114 15.617 5.435 -3.828 874 1HB TRP 67 HB2 TRP 114 15.837 4.033 -6.504 875 2HB TRP 67 HB1 TRP 114 16.314 3.286 -4.978 876 HD1 TRP 67 HD1 TRP 114 13.226 5.308 -6.144 877 HE1 TRP 67 HE1 TRP 114 11.119 4.119 -5.275 878 HE3 TRP 67 HE3 TRP 114 15.347 1.328 -3.767 879 HZ2 TRP 67 HZ2 TRP 114 10.437 1.814 -3.746 880 HZ3 TRP 67 HZ3 TRP 114 13.954 -0.347 -2.614 881 HH2 TRP 67 HH2 TRP 114 11.488 -0.118 -2.611 882 H ASN 68 HN ASN 115 17.276 7.007 -6.352 883 HA ASN 68 HA ASN 115 19.905 5.974 -6.159 884 1HB ASN 68 HB2 ASN 115 18.947 8.827 -6.587 885 2HB ASN 68 HB1 ASN 115 20.630 8.323 -6.763 886 1HD2 ASN 68 HD22 ASN 115 18.652 5.998 -9.355 887 2HD2 ASN 68 HD21 ASN 115 18.674 5.725 -7.678 888 H VAL 69 HN VAL 116 17.972 7.402 -3.798 889 HA VAL 69 HA VAL 116 19.913 8.791 -2.210 890 HB VAL 69 HB VAL 116 18.269 8.414 -0.354 891 1HG1 VAL 69 HG13 VAL 116 17.140 9.247 -3.044 892 2HG1 VAL 69 HG12 VAL 116 16.401 9.613 -1.486 893 3HG1 VAL 69 HG11 VAL 116 17.975 10.290 -1.895 894 1HG2 VAL 69 HG23 VAL 116 16.925 6.724 -2.485 895 2HG2 VAL 69 HG22 VAL 116 17.493 6.174 -0.915 896 3HG2 VAL 69 HG21 VAL 116 16.115 7.266 -1.023 897 H ASP 70 HN ASP 117 21.444 7.997 -0.792 898 HA ASP 70 HA ASP 117 22.238 5.264 -0.913 899 1HB ASP 70 HB2 ASP 117 22.826 7.417 1.136 900 2HB ASP 70 HB1 ASP 117 23.585 5.825 1.160 901 H GLY 71 HN GLY 118 20.185 7.021 1.366 902 1HA GLY 71 HA2 GLY 118 18.476 6.117 2.736 903 2HA GLY 71 HA1 GLY 118 18.951 4.499 2.213 No H/Q in entry = 903 Start of MODEL 10 1 1H MET 1 HT2 MET 1 -8.769 -1.227 8.213 2 2H MET 1 HT1 MET 1 -9.840 -1.352 9.530 3 3H MET 1 HT3 MET 1 -9.167 0.152 9.125 4 HA MET 1 HA MET 1 -7.787 -0.367 10.827 5 1HB MET 1 HB2 MET 1 -9.015 -2.524 11.230 6 2HB MET 1 HB1 MET 1 -8.001 -3.282 10.008 7 1HG MET 1 HG2 MET 1 -6.996 -3.757 12.138 8 2HG MET 1 HG1 MET 1 -5.988 -2.537 11.365 9 1HE MET 1 HE1 MET 1 -5.632 -3.132 14.161 10 2HE MET 1 HE3 MET 1 -4.864 -1.640 13.605 11 3HE MET 1 HE2 MET 1 -5.780 -1.656 15.110 12 H VAL 2 HN VAL 2 -5.567 -0.111 10.639 13 HA VAL 2 HA VAL 2 -4.381 -0.645 7.951 14 HB VAL 2 HB VAL 2 -3.523 1.105 10.277 15 1HG1 VAL 2 HG13 VAL 2 -2.114 0.412 7.690 16 2HG1 VAL 2 HG12 VAL 2 -1.753 1.874 8.601 17 3HG1 VAL 2 HG11 VAL 2 -1.483 0.293 9.329 18 1HG2 VAL 2 HG21 VAL 2 -5.396 1.865 8.777 19 2HG2 VAL 2 HG23 VAL 2 -3.980 2.911 8.719 20 3HG2 VAL 2 HG22 VAL 2 -4.280 1.767 7.416 21 H LYS 3 HN LYS 3 -2.475 -1.921 7.729 22 HA LYS 3 HA LYS 3 -1.509 -3.354 10.187 23 1HB LYS 3 HB2 LYS 3 -3.027 -4.794 8.767 24 2HB LYS 3 HB1 LYS 3 -1.917 -4.562 7.425 25 1HG LYS 3 HG2 LYS 3 -1.220 -6.618 8.318 26 2HG LYS 3 HG1 LYS 3 -0.100 -5.486 9.069 27 1HD LYS 3 HD2 LYS 3 -1.448 -5.450 11.108 28 2HD LYS 3 HD1 LYS 3 -2.657 -6.478 10.349 29 1HE LYS 3 HE2 LYS 3 0.236 -7.300 10.718 30 2HE LYS 3 HE1 LYS 3 -1.042 -7.699 11.863 31 1HZ LYS 3 HZ3 LYS 3 -1.132 -8.391 8.979 32 2HZ LYS 3 HZ2 LYS 3 -0.589 -9.450 10.192 33 3HZ LYS 3 HZ1 LYS 3 -2.199 -8.909 10.192 34 H GLN 4 HN GLN 4 0.685 -3.178 10.385 35 HA GLN 4 HA GLN 4 2.210 -2.074 8.076 36 1HB GLN 4 HB2 GLN 4 2.432 -0.937 10.265 37 2HB GLN 4 HB1 GLN 4 3.029 -2.436 10.979 38 1HG GLN 4 HG2 GLN 4 4.948 -2.434 9.436 39 2HG GLN 4 HG1 GLN 4 4.332 -0.969 8.663 40 1HE2 GLN 4 HE22 GLN 4 6.203 0.965 10.929 41 2HE2 GLN 4 HE21 GLN 4 5.753 0.666 9.317 42 H ILE 5 HN ILE 5 3.440 -3.410 6.880 43 HA ILE 5 HA ILE 5 4.074 -6.149 7.911 44 HB ILE 5 HB ILE 5 4.317 -5.080 5.094 45 1HG1 ILE 5 HG12 ILE 5 1.990 -4.834 5.747 46 2HG1 ILE 5 HG11 ILE 5 2.129 -6.248 4.706 47 1HG2 ILE 5 HG22 ILE 5 4.207 -7.855 6.298 48 2HG2 ILE 5 HG21 ILE 5 4.127 -7.513 4.572 49 3HG2 ILE 5 HG23 ILE 5 5.578 -7.104 5.479 50 1HD1 ILE 5 HD11 ILE 5 2.360 -7.615 6.883 51 2HD1 ILE 5 HD13 ILE 5 1.775 -6.169 7.706 52 3HD1 ILE 5 HD12 ILE 5 0.764 -6.970 6.507 53 H GLU 6 HN GLU 6 6.111 -6.260 8.772 54 HA GLU 6 HA GLU 6 8.208 -4.395 7.768 55 1HB GLU 6 HB2 GLU 6 8.202 -6.259 10.155 56 2HB GLU 6 HB1 GLU 6 9.463 -5.092 9.757 57 1HG GLU 6 HG2 GLU 6 6.582 -4.296 10.213 58 2HG GLU 6 HG1 GLU 6 7.792 -4.306 11.493 59 H SER 7 HN SER 7 7.114 -7.450 7.030 60 HA SER 7 HA SER 7 9.735 -8.133 5.834 61 1HB SER 7 HB2 SER 7 9.737 -10.410 6.798 62 2HB SER 7 HB1 SER 7 9.863 -9.178 8.057 63 HG SER 7 HG SER 7 7.571 -9.395 8.314 64 H LYS 8 HN LYS 8 9.579 -9.785 4.209 65 HA LYS 8 HA LYS 8 7.128 -9.759 2.701 66 1HB LYS 8 HB2 LYS 8 9.490 -10.169 1.798 67 2HB LYS 8 HB1 LYS 8 9.349 -11.791 2.474 68 1HG LYS 8 HG2 LYS 8 7.306 -12.173 1.146 69 2HG LYS 8 HG1 LYS 8 7.460 -10.562 0.457 70 1HD LYS 8 HD2 LYS 8 8.356 -12.272 -1.084 71 2HD LYS 8 HD1 LYS 8 9.626 -11.175 -0.542 72 1HE LYS 8 HE2 LYS 8 10.061 -13.766 -0.527 73 2HE LYS 8 HE1 LYS 8 10.614 -12.786 0.833 74 1HZ LYS 8 HZ2 LYS 8 7.930 -14.021 0.835 75 2HZ LYS 8 HZ1 LYS 8 9.294 -14.906 1.318 76 3HZ LYS 8 HZ3 LYS 8 8.863 -13.497 2.155 77 H THR 9 HN THR 9 8.505 -11.908 5.111 78 HA THR 9 HA THR 9 6.865 -14.177 4.680 79 HB THR 9 HB THR 9 7.854 -13.106 7.335 80 HG1 THR 9 HG1 THR 9 9.741 -13.772 6.732 81 1HG2 THR 9 HG21 THR 9 6.910 -15.826 6.408 82 2HG2 THR 9 HG23 THR 9 7.870 -15.600 7.871 83 3HG2 THR 9 HG22 THR 9 6.276 -14.853 7.740 84 H ALA 10 HN ALA 10 6.315 -11.344 6.768 85 HA ALA 10 HA ALA 10 3.668 -12.200 7.547 86 1HB ALA 10 HB1 ALA 10 5.127 -9.554 7.683 87 2HB ALA 10 HB3 ALA 10 3.443 -9.712 8.191 88 3HB ALA 10 HB2 ALA 10 4.700 -10.639 9.011 89 H PHE 11 HN PHE 11 4.983 -10.408 4.828 90 HA PHE 11 HA PHE 11 2.598 -9.132 3.915 91 1HB PHE 11 HB2 PHE 11 4.963 -8.857 2.966 92 2HB PHE 11 HB1 PHE 11 4.740 -10.396 2.161 93 HD1 PHE 11 HD1 PHE 11 2.903 -7.141 2.616 94 HD2 PHE 11 HD2 PHE 11 3.943 -10.360 -0.036 95 HE1 PHE 11 HE1 PHE 11 1.725 -5.998 0.759 96 HE2 PHE 11 HE2 PHE 11 2.758 -9.220 -1.886 97 HZ PHE 11 HZ PHE 11 1.650 -7.043 -1.493 98 H GLN 12 HN GLN 12 3.938 -12.347 3.268 99 HA GLN 12 HA GLN 12 1.860 -13.232 1.499 100 1HB GLN 12 HB2 GLN 12 3.659 -14.787 3.398 101 2HB GLN 12 HB1 GLN 12 2.723 -15.494 2.085 102 1HG GLN 12 HG2 GLN 12 4.844 -13.359 1.729 103 2HG GLN 12 HG1 GLN 12 5.096 -15.084 1.450 104 1HE2 GLN 12 HE22 GLN 12 3.952 -13.196 -1.693 105 2HE2 GLN 12 HE21 GLN 12 5.078 -12.752 -0.502 106 H GLU 13 HN GLU 13 2.331 -13.504 5.000 107 HA GLU 13 HA GLU 13 -0.029 -15.026 5.557 108 1HB GLU 13 HB2 GLU 13 1.557 -13.101 7.284 109 2HB GLU 13 HB1 GLU 13 0.317 -14.184 7.896 110 1HG GLU 13 HG2 GLU 13 2.796 -15.094 6.406 111 2HG GLU 13 HG1 GLU 13 2.623 -15.115 8.159 112 H ALA 14 HN ALA 14 0.551 -11.544 5.321 113 HA ALA 14 HA ALA 14 -2.012 -10.765 6.366 114 1HB ALA 14 HB1 ALA 14 0.050 -9.281 6.061 115 2HB ALA 14 HB3 ALA 14 -0.383 -9.202 4.354 116 3HB ALA 14 HB2 ALA 14 -1.492 -8.572 5.574 117 H LEU 15 HN LEU 15 -0.794 -11.368 3.091 118 HA LEU 15 HA LEU 15 -3.130 -10.602 1.671 119 1HB LEU 15 HB2 LEU 15 -1.008 -12.682 1.083 120 2HB LEU 15 HB1 LEU 15 -2.249 -12.205 -0.076 121 HG LEU 15 HG LEU 15 -0.340 -10.248 1.230 122 1HD1 LEU 15 HD11 LEU 15 -0.112 -11.844 -1.317 123 2HD1 LEU 15 HD13 LEU 15 0.674 -10.270 -1.168 124 3HD1 LEU 15 HD12 LEU 15 1.099 -11.578 -0.065 125 1HD2 LEU 15 HD22 LEU 15 -2.481 -10.051 -0.873 126 2HD2 LEU 15 HD21 LEU 15 -2.090 -8.943 0.438 127 3HD2 LEU 15 HD23 LEU 15 -1.074 -8.996 -0.998 128 H ASP 16 HN ASP 16 -2.163 -13.645 3.181 129 HA ASP 16 HA ASP 16 -4.429 -15.173 2.306 130 1HB ASP 16 HB2 ASP 16 -2.269 -16.127 3.202 131 2HB ASP 16 HB1 ASP 16 -2.797 -15.637 4.815 132 H ALA 17 HN ALA 17 -3.799 -13.183 5.144 133 HA ALA 17 HA ALA 17 -6.121 -13.976 6.623 134 1HB ALA 17 HB2 ALA 17 -4.130 -12.799 7.577 135 2HB ALA 17 HB1 ALA 17 -4.650 -11.331 6.751 136 3HB ALA 17 HB3 ALA 17 -5.659 -12.040 8.012 137 H ALA 18 HN ALA 18 -5.561 -11.364 4.300 138 HA ALA 18 HA ALA 18 -8.044 -10.008 4.649 139 1HB ALA 18 HB3 ALA 18 -6.339 -10.330 2.163 140 2HB ALA 18 HB2 ALA 18 -7.651 -9.166 2.338 141 3HB ALA 18 HB1 ALA 18 -6.213 -9.033 3.352 142 H GLY 19 HN GLY 19 -7.177 -12.900 2.832 143 1HA GLY 19 HA2 GLY 19 -8.561 -14.544 1.887 144 2HA GLY 19 HA1 GLY 19 -9.925 -13.762 2.690 145 H ASP 20 HN ASP 20 -11.427 -13.166 1.205 146 HA ASP 20 HA ASP 20 -10.589 -12.521 -1.560 147 1HB ASP 20 HB2 ASP 20 -13.324 -12.826 -0.294 148 2HB ASP 20 HB1 ASP 20 -13.036 -12.516 -2.011 149 H LYS 21 HN LYS 21 -10.752 -10.761 1.191 150 HA LYS 21 HA LYS 21 -12.277 -8.456 0.260 151 1HB LYS 21 HB2 LYS 21 -10.285 -8.836 2.517 152 2HB LYS 21 HB1 LYS 21 -11.158 -7.334 2.233 153 1HG LYS 21 HG2 LYS 21 -13.303 -8.737 2.324 154 2HG LYS 21 HG1 LYS 21 -12.298 -10.031 2.976 155 1HD LYS 21 HD2 LYS 21 -11.496 -8.342 4.721 156 2HD LYS 21 HD1 LYS 21 -12.810 -7.299 4.172 157 1HE LYS 21 HE2 LYS 21 -13.193 -10.146 5.128 158 2HE LYS 21 HE1 LYS 21 -13.430 -8.721 6.141 159 1HZ LYS 21 HZ1 LYS 21 -14.905 -8.050 4.062 160 2HZ LYS 21 HZ3 LYS 21 -15.052 -9.735 3.947 161 3HZ LYS 21 HZ2 LYS 21 -15.523 -8.939 5.371 162 H LEU 22 HN LEU 22 -11.403 -6.467 -0.562 163 HA LEU 22 HA LEU 22 -9.173 -6.673 -2.300 164 1HB LEU 22 HB2 LEU 22 -11.192 -4.846 -1.878 165 2HB LEU 22 HB1 LEU 22 -9.824 -3.971 -1.220 166 HG LEU 22 HG LEU 22 -10.120 -5.046 -4.025 167 1HD1 LEU 22 HD11 LEU 22 -10.499 -2.402 -2.747 168 2HD1 LEU 22 HD13 LEU 22 -9.470 -2.345 -4.170 169 3HD1 LEU 22 HD12 LEU 22 -11.096 -3.002 -4.282 170 1HD2 LEU 22 HD21 LEU 22 -7.714 -3.905 -2.594 171 2HD2 LEU 22 HD23 LEU 22 -7.811 -5.368 -3.574 172 3HD2 LEU 22 HD22 LEU 22 -7.882 -3.791 -4.341 173 H VAL 23 HN VAL 23 -7.020 -5.559 -2.003 174 HA VAL 23 HA VAL 23 -6.261 -4.961 0.797 175 HB VAL 23 HB VAL 23 -4.829 -7.031 -0.911 176 1HG1 VAL 23 HG12 VAL 23 -4.205 -5.741 1.747 177 2HG1 VAL 23 HG11 VAL 23 -3.480 -7.268 1.250 178 3HG1 VAL 23 HG13 VAL 23 -3.187 -5.803 0.311 179 1HG2 VAL 23 HG21 VAL 23 -6.510 -7.218 1.602 180 2HG2 VAL 23 HG23 VAL 23 -6.756 -8.061 0.070 181 3HG2 VAL 23 HG22 VAL 23 -5.391 -8.490 1.104 182 H VAL 24 HN VAL 24 -5.389 -2.960 0.562 183 HA VAL 24 HA VAL 24 -3.864 -2.349 -1.924 184 HB VAL 24 HB VAL 24 -4.786 -0.473 0.280 185 1HG1 VAL 24 HG12 VAL 24 -2.827 0.249 -1.164 186 2HG1 VAL 24 HG11 VAL 24 -3.901 0.126 -2.559 187 3HG1 VAL 24 HG13 VAL 24 -4.244 1.293 -1.282 188 1HG2 VAL 24 HG22 VAL 24 -6.028 -1.266 -2.361 189 2HG2 VAL 24 HG21 VAL 24 -6.761 -1.355 -0.760 190 3HG2 VAL 24 HG23 VAL 24 -6.469 0.215 -1.514 191 H VAL 25 HN VAL 25 -1.656 -1.819 -1.810 192 HA VAL 25 HA VAL 25 -0.359 -2.025 0.903 193 HB VAL 25 HB VAL 25 0.776 -2.973 -1.746 194 1HG1 VAL 25 HG12 VAL 25 2.387 -2.267 0.085 195 2HG1 VAL 25 HG11 VAL 25 1.701 -3.552 1.078 196 3HG1 VAL 25 HG13 VAL 25 2.534 -3.946 -0.424 197 1HG2 VAL 25 HG23 VAL 25 -1.183 -4.313 -1.012 198 2HG2 VAL 25 HG22 VAL 25 0.313 -5.232 -0.936 199 3HG2 VAL 25 HG21 VAL 25 -0.396 -4.585 0.542 200 H ASP 26 HN ASP 26 0.721 -0.190 1.434 201 HA ASP 26 HA ASP 26 1.438 1.738 -0.746 202 1HB ASP 26 HB2 ASP 26 0.054 2.611 1.102 203 2HB ASP 26 HB1 ASP 26 1.297 2.137 2.267 204 H PHE 27 HN PHE 27 3.520 1.635 -1.434 205 HA PHE 27 HA PHE 27 5.649 0.572 0.350 206 1HB PHE 27 HB2 PHE 27 5.511 1.170 -2.608 207 2HB PHE 27 HB1 PHE 27 7.040 0.802 -1.804 208 HD1 PHE 27 HD1 PHE 27 7.320 -1.385 -0.605 209 HD2 PHE 27 HD2 PHE 27 3.939 -0.552 -3.120 210 HE1 PHE 27 HE1 PHE 27 6.840 -3.811 -0.757 211 HE2 PHE 27 HE2 PHE 27 3.462 -2.977 -3.252 212 HZ PHE 27 HZ PHE 27 4.906 -4.610 -2.086 213 H SER 28 HN SER 28 4.447 3.375 0.596 214 HA SER 28 HA SER 28 6.317 5.290 -0.347 215 1HB SER 28 HB2 SER 28 4.701 5.370 2.211 216 2HB SER 28 HB1 SER 28 5.475 6.754 1.450 217 HG SER 28 HG SER 28 3.169 6.344 0.960 218 H ALA 29 HN ALA 29 8.101 6.280 0.621 219 HA ALA 29 HA ALA 29 9.635 4.537 2.440 220 1HB ALA 29 HB3 ALA 29 10.198 6.857 0.645 221 2HB ALA 29 HB2 ALA 29 11.199 6.774 2.097 222 3HB ALA 29 HB1 ALA 29 11.180 5.427 0.954 223 H THR 30 HN THR 30 9.546 4.848 4.637 224 HA THR 30 HA THR 30 7.926 6.946 5.755 225 HB THR 30 HB THR 30 8.338 4.802 6.937 226 HG1 THR 30 HG1 THR 30 8.402 5.748 8.871 227 1HG2 THR 30 HG22 THR 30 10.747 4.655 6.171 228 2HG2 THR 30 HG21 THR 30 11.135 5.856 7.403 229 3HG2 THR 30 HG23 THR 30 10.491 4.284 7.878 230 H TRP 31 HN TRP 31 11.336 6.604 5.014 231 HA TRP 31 HA TRP 31 12.167 8.953 6.523 232 1HB TRP 31 HB2 TRP 31 14.279 8.698 5.318 233 2HB TRP 31 HB1 TRP 31 13.730 7.140 5.927 234 HD1 TRP 31 HD1 TRP 31 13.048 5.318 4.207 235 HE1 TRP 31 HE1 TRP 31 13.311 5.107 1.650 236 HE3 TRP 31 HE3 TRP 31 14.151 10.157 3.042 237 HZ2 TRP 31 HZ2 TRP 31 13.865 6.786 -0.592 238 HZ3 TRP 31 HZ3 TRP 31 14.518 10.830 0.689 239 HH2 TRP 31 HH2 TRP 31 14.376 9.153 -1.129 240 H CYS 32 HN CYS 32 10.561 8.541 3.501 241 HA CYS 32 HA CYS 32 11.629 11.049 2.371 242 1HB CYS 32 HB2 CYS 32 10.987 9.032 0.962 243 2HB CYS 32 HB1 CYS 32 9.307 9.379 1.358 244 H GLY 33 HN GLY 33 10.887 12.941 3.056 245 1HA GLY 33 HA2 GLY 33 8.726 13.262 4.855 246 2HA GLY 33 HA1 GLY 33 9.492 14.571 3.964 247 HA PRO 34 HA PRO 34 6.050 15.038 1.299 248 1HB PRO 34 HB2 PRO 34 6.790 14.018 -1.241 249 2HB PRO 34 HB1 PRO 34 6.997 15.676 -0.665 250 1HG PRO 34 HG2 PRO 34 9.021 13.554 -0.985 251 2HG PRO 34 HG1 PRO 34 9.246 15.302 -0.845 252 1HD PRO 34 HD2 PRO 34 9.816 13.416 1.161 253 2HD PRO 34 HD1 PRO 34 9.657 15.166 1.421 254 H ALA 35 HN ALA 35 7.412 11.784 1.064 255 HA ALA 35 HA ALA 35 4.928 10.588 0.113 256 1HB ALA 35 HB1 ALA 35 7.432 9.714 0.003 257 2HB ALA 35 HB3 ALA 35 7.021 8.989 1.558 258 3HB ALA 35 HB2 ALA 35 6.093 8.574 0.118 259 H LYS 36 HN LYS 36 6.591 10.707 3.280 260 HA LYS 36 HA LYS 36 4.624 9.264 4.758 261 1HB LYS 36 HB2 LYS 36 6.933 9.908 5.562 262 2HB LYS 36 HB1 LYS 36 6.323 11.541 5.817 263 1HG LYS 36 HG2 LYS 36 4.507 10.516 7.278 264 2HG LYS 36 HG1 LYS 36 5.394 8.998 7.172 265 1HD LYS 36 HD2 LYS 36 7.428 10.225 8.039 266 2HD LYS 36 HD1 LYS 36 6.381 11.613 8.338 267 1HE LYS 36 HE2 LYS 36 5.920 8.843 9.487 268 2HE LYS 36 HE1 LYS 36 6.689 10.172 10.363 269 1HZ LYS 36 HZ1 LYS 36 4.362 11.205 9.306 270 2HZ LYS 36 HZ3 LYS 36 3.933 9.685 9.919 271 3HZ LYS 36 HZ2 LYS 36 4.669 10.830 10.935 272 H MET 37 HN MET 37 4.785 12.620 3.752 273 HA MET 37 HA MET 37 2.784 13.715 5.439 274 1HB MET 37 HB2 MET 37 4.307 15.012 3.920 275 2HB MET 37 HB1 MET 37 3.321 14.482 2.562 276 1HG MET 37 HG2 MET 37 1.323 15.497 3.666 277 2HG MET 37 HG1 MET 37 2.376 16.119 4.934 278 1HE MET 37 HE1 MET 37 4.734 17.296 4.160 279 2HE MET 37 HE3 MET 37 4.355 18.894 3.505 280 3HE MET 37 HE2 MET 37 3.469 18.276 4.894 281 H ILE 38 HN ILE 38 2.531 11.744 2.556 282 HA ILE 38 HA ILE 38 -0.313 12.255 2.167 283 HB ILE 38 HB ILE 38 1.159 9.883 1.005 284 1HG1 ILE 38 HG12 ILE 38 1.191 12.667 -0.198 285 2HG1 ILE 38 HG11 ILE 38 2.542 12.008 0.732 286 1HG2 ILE 38 HG21 ILE 38 -1.101 11.674 0.063 287 2HG2 ILE 38 HG23 ILE 38 -0.337 10.448 -0.944 288 3HG2 ILE 38 HG22 ILE 38 -1.203 9.973 0.514 289 1HD1 ILE 38 HD11 ILE 38 2.494 10.019 -0.853 290 2HD1 ILE 38 HD13 ILE 38 1.397 10.965 -1.857 291 3HD1 ILE 38 HD12 ILE 38 3.036 11.545 -1.546 292 H LYS 39 HN LYS 39 1.306 10.405 4.485 293 HA LYS 39 HA LYS 39 -0.213 8.023 4.403 294 1HB LYS 39 HB2 LYS 39 0.586 7.447 6.516 295 2HB LYS 39 HB1 LYS 39 1.857 8.441 5.829 296 1HG LYS 39 HG2 LYS 39 1.384 10.259 7.256 297 2HG LYS 39 HG1 LYS 39 -0.234 9.687 7.648 298 1HD LYS 39 HD2 LYS 39 2.347 8.338 8.486 299 2HD LYS 39 HD1 LYS 39 1.357 9.367 9.516 300 1HE LYS 39 HE2 LYS 39 0.429 7.363 10.145 301 2HE LYS 39 HE1 LYS 39 -0.523 7.572 8.677 302 1HZ LYS 39 HZ3 LYS 39 2.063 6.433 8.188 303 2HZ LYS 39 HZ2 LYS 39 1.113 5.476 9.226 304 3HZ LYS 39 HZ1 LYS 39 0.531 5.900 7.683 305 HA PRO 40 HA PRO 40 -3.367 10.137 7.463 306 1HB PRO 40 HB2 PRO 40 -3.833 12.608 5.854 307 2HB PRO 40 HB1 PRO 40 -3.751 12.411 7.614 308 1HG PRO 40 HG2 PRO 40 -1.768 13.612 6.268 309 2HG PRO 40 HG1 PRO 40 -1.424 12.563 7.655 310 1HD PRO 40 HD2 PRO 40 -1.146 11.968 4.738 311 2HD PRO 40 HD1 PRO 40 -0.083 11.468 6.072 312 H PHE 41 HN PHE 41 -3.428 10.788 3.929 313 HA PHE 41 HA PHE 41 -6.264 10.212 3.697 314 1HB PHE 41 HB2 PHE 41 -3.999 10.237 1.676 315 2HB PHE 41 HB1 PHE 41 -5.669 9.909 1.246 316 HD1 PHE 41 HD2 PHE 41 -3.497 12.438 2.906 317 HD2 PHE 41 HD1 PHE 41 -7.180 11.653 0.849 318 HE1 PHE 41 HE2 PHE 41 -3.960 14.873 2.815 319 HE2 PHE 41 HE1 PHE 41 -7.653 14.087 0.764 320 HZ PHE 41 HZ PHE 41 -6.041 15.699 1.744 321 H PHE 42 HN PHE 42 -3.319 8.355 2.924 322 HA PHE 42 HA PHE 42 -4.650 5.936 2.216 323 1HB PHE 42 HB2 PHE 42 -2.280 6.400 1.734 324 2HB PHE 42 HB1 PHE 42 -1.911 6.368 3.460 325 HD1 PHE 42 HD1 PHE 42 -3.073 4.331 0.584 326 HD2 PHE 42 HD2 PHE 42 -1.682 4.306 4.644 327 HE1 PHE 42 HE1 PHE 42 -2.842 1.866 0.493 328 HE2 PHE 42 HE2 PHE 42 -1.452 1.839 4.555 329 HZ PHE 42 HZ PHE 42 -2.036 0.614 2.477 330 H HIS 43 HN HIS 43 -3.322 7.033 5.322 331 HA HIS 43 HA HIS 43 -4.166 4.727 6.822 332 1HB HIS 43 HB2 HIS 43 -2.359 6.214 7.573 333 2HB HIS 43 HB1 HIS 43 -3.505 7.539 7.741 334 HD1 HIS 43 HD1 HIS 43 -2.377 4.388 9.366 335 HD2 HIS 43 HD2 HIS 43 -5.318 7.271 9.931 336 HE1 HIS 43 HE1 HIS 43 -3.454 3.873 11.600 337 H SER 44 HN SER 44 -5.642 7.951 6.339 338 HA SER 44 HA SER 44 -7.818 7.532 8.151 339 1HB SER 44 HB2 SER 44 -7.650 9.357 5.737 340 2HB SER 44 HB1 SER 44 -8.928 9.403 6.946 341 HG SER 44 HG SER 44 -7.532 10.124 8.430 342 H LEU 45 HN LEU 45 -7.473 6.897 4.677 343 HA LEU 45 HA LEU 45 -10.176 6.268 4.116 344 1HB LEU 45 HB2 LEU 45 -7.611 5.253 2.914 345 2HB LEU 45 HB1 LEU 45 -9.185 4.836 2.261 346 HG LEU 45 HG LEU 45 -8.405 7.727 2.709 347 1HD1 LEU 45 HD11 LEU 45 -6.669 6.652 1.286 348 2HD1 LEU 45 HD13 LEU 45 -7.935 6.121 0.183 349 3HD1 LEU 45 HD12 LEU 45 -7.618 7.841 0.401 350 1HD2 LEU 45 HD22 LEU 45 -10.479 6.264 1.078 351 2HD2 LEU 45 HD21 LEU 45 -10.696 7.560 2.250 352 3HD2 LEU 45 HD23 LEU 45 -10.004 7.910 0.673 353 H SER 46 HN SER 46 -7.782 4.447 5.871 354 HA SER 46 HA SER 46 -8.770 1.835 5.467 355 1HB SER 46 HB2 SER 46 -7.644 3.017 8.025 356 2HB SER 46 HB1 SER 46 -7.803 1.300 7.676 357 HG SER 46 HG SER 46 -6.246 3.209 6.265 358 H GLU 47 HN GLU 47 -9.967 4.448 7.549 359 HA GLU 47 HA GLU 47 -12.077 2.664 8.632 360 1HB GLU 47 HB2 GLU 47 -11.420 5.594 9.097 361 2HB GLU 47 HB1 GLU 47 -12.806 4.782 9.821 362 1HG GLU 47 HG2 GLU 47 -11.053 4.689 11.442 363 2HG GLU 47 HG1 GLU 47 -11.166 3.070 10.744 364 H LYS 48 HN LYS 48 -11.620 4.701 5.907 365 HA LYS 48 HA LYS 48 -14.470 5.413 5.651 366 1HB LYS 48 HB2 LYS 48 -12.631 6.848 4.692 367 2HB LYS 48 HB1 LYS 48 -12.313 5.561 3.528 368 1HG LYS 48 HG2 LYS 48 -14.743 5.694 2.839 369 2HG LYS 48 HG1 LYS 48 -14.887 7.127 3.853 370 1HD LYS 48 HD2 LYS 48 -12.793 6.915 1.682 371 2HD LYS 48 HD1 LYS 48 -14.415 7.507 1.350 372 1HE LYS 48 HE2 LYS 48 -12.485 8.691 3.372 373 2HE LYS 48 HE1 LYS 48 -12.918 9.392 1.817 374 1HZ LYS 48 HZ2 LYS 48 -15.283 9.309 2.622 375 2HZ LYS 48 HZ1 LYS 48 -14.664 8.976 4.170 376 3HZ LYS 48 HZ3 LYS 48 -14.277 10.437 3.401 377 H TYR 49 HN TYR 49 -12.163 3.069 4.453 378 HA TYR 49 HA TYR 49 -14.437 1.488 3.255 379 1HB TYR 49 HB2 TYR 49 -11.539 1.696 2.349 380 2HB TYR 49 HB1 TYR 49 -12.695 0.523 1.722 381 HD1 TYR 49 HD2 TYR 49 -14.910 1.436 0.775 382 HD2 TYR 49 HD1 TYR 49 -11.423 3.860 1.403 383 HE1 TYR 49 HE2 TYR 49 -15.805 3.125 -0.803 384 HE2 TYR 49 HE1 TYR 49 -12.320 5.555 -0.173 385 HH TYR 49 HH TYR 49 -15.240 4.948 -2.050 386 H SER 50 HN SER 50 -14.370 0.919 5.689 387 HA SER 50 HA SER 50 -12.230 -0.653 6.753 388 1HB SER 50 HB2 SER 50 -13.739 -1.161 8.519 389 2HB SER 50 HB1 SER 50 -14.208 0.440 7.979 390 HG SER 50 HG SER 50 -16.095 -0.487 7.799 391 H ASN 51 HN ASN 51 -14.295 -1.183 4.223 392 HA ASN 51 HA ASN 51 -14.620 -4.076 4.453 393 1HB ASN 51 HB2 ASN 51 -16.334 -3.000 3.215 394 2HB ASN 51 HB1 ASN 51 -15.178 -2.001 2.336 395 1HD2 ASN 51 HD22 ASN 51 -16.265 -5.498 0.731 396 2HD2 ASN 51 HD21 ASN 51 -17.079 -4.795 2.042 397 H VAL 52 HN VAL 52 -12.226 -1.875 3.312 398 HA VAL 52 HA VAL 52 -10.840 -4.056 1.827 399 HB VAL 52 HB VAL 52 -10.605 -1.033 1.700 400 1HG1 VAL 52 HG11 VAL 52 -8.808 -3.211 0.699 401 2HG1 VAL 52 HG13 VAL 52 -9.120 -1.864 -0.402 402 3HG1 VAL 52 HG12 VAL 52 -8.418 -1.564 1.186 403 1HG2 VAL 52 HG23 VAL 52 -11.731 -3.168 -0.127 404 2HG2 VAL 52 HG22 VAL 52 -12.526 -1.720 0.497 405 3HG2 VAL 52 HG21 VAL 52 -11.271 -1.574 -0.731 406 H ILE 53 HN ILE 53 -8.631 -4.479 2.367 407 HA ILE 53 HA ILE 53 -7.861 -3.527 5.103 408 HB ILE 53 HB ILE 53 -6.582 -5.709 3.434 409 1HG1 ILE 53 HG12 ILE 53 -8.924 -6.279 3.703 410 2HG1 ILE 53 HG11 ILE 53 -7.990 -7.259 4.827 411 1HG2 ILE 53 HG22 ILE 53 -5.433 -4.643 5.507 412 2HG2 ILE 53 HG21 ILE 53 -6.669 -5.459 6.447 413 3HG2 ILE 53 HG23 ILE 53 -5.559 -6.398 5.456 414 1HD1 ILE 53 HD12 ILE 53 -8.483 -5.356 6.538 415 2HD1 ILE 53 HD11 ILE 53 -9.747 -4.885 5.406 416 3HD1 ILE 53 HD13 ILE 53 -9.777 -6.488 6.139 417 H PHE 54 HN PHE 54 -6.392 -1.869 5.185 418 HA PHE 54 HA PHE 54 -4.662 -1.354 2.803 419 1HB PHE 54 HB2 PHE 54 -5.225 0.320 5.268 420 2HB PHE 54 HB1 PHE 54 -4.167 0.807 3.948 421 HD1 PHE 54 HD1 PHE 54 -7.666 -0.402 4.582 422 HD2 PHE 54 HD2 PHE 54 -5.070 1.999 2.143 423 HE1 PHE 54 HE1 PHE 54 -9.631 0.474 3.343 424 HE2 PHE 54 HE2 PHE 54 -7.035 2.862 0.897 425 HZ PHE 54 HZ PHE 54 -9.312 2.096 1.495 426 H LEU 55 HN LEU 55 -2.541 -1.915 2.842 427 HA LEU 55 HA LEU 55 -1.250 -2.536 5.475 428 1HB LEU 55 HB2 LEU 55 -0.613 -3.594 2.702 429 2HB LEU 55 HB1 LEU 55 0.458 -3.809 4.083 430 HG LEU 55 HG LEU 55 -1.209 -5.111 5.249 431 1HD1 LEU 55 HD11 LEU 55 -3.031 -4.161 3.056 432 2HD1 LEU 55 HD13 LEU 55 -3.364 -5.679 3.892 433 3HD1 LEU 55 HD12 LEU 55 -3.284 -4.183 4.802 434 1HD2 LEU 55 HD21 LEU 55 0.176 -6.198 3.441 435 2HD2 LEU 55 HD23 LEU 55 -1.331 -7.036 3.808 436 3HD2 LEU 55 HD22 LEU 55 -1.207 -6.031 2.363 437 H GLU 56 HN GLU 56 0.722 -1.582 5.939 438 HA GLU 56 HA GLU 56 1.606 0.578 4.047 439 1HB GLU 56 HB2 GLU 56 0.747 1.269 6.357 440 2HB GLU 56 HB1 GLU 56 2.144 0.418 7.028 441 1HG GLU 56 HG2 GLU 56 3.635 1.826 5.605 442 2HG GLU 56 HG1 GLU 56 2.215 2.735 5.077 443 H VAL 57 HN VAL 57 3.635 0.267 3.206 444 HA VAL 57 HA VAL 57 5.412 -1.758 4.548 445 HB VAL 57 HB VAL 57 5.081 -1.321 1.570 446 1HG1 VAL 57 HG12 VAL 57 6.589 -3.351 3.236 447 2HG1 VAL 57 HG11 VAL 57 6.351 -3.474 1.495 448 3HG1 VAL 57 HG13 VAL 57 7.294 -2.140 2.161 449 1HG2 VAL 57 HG21 VAL 57 4.043 -3.512 3.393 450 2HG2 VAL 57 HG23 VAL 57 3.058 -2.325 2.542 451 3HG2 VAL 57 HG22 VAL 57 3.959 -3.538 1.635 452 H ASP 58 HN ASP 58 7.457 -1.107 4.895 453 HA ASP 58 HA ASP 58 8.319 1.590 3.967 454 1HB ASP 58 HB2 ASP 58 8.427 0.840 6.399 455 2HB ASP 58 HB1 ASP 58 9.670 -0.306 5.897 456 H VAL 59 HN VAL 59 9.616 1.625 2.132 457 HA VAL 59 HA VAL 59 10.744 -0.819 1.053 458 HB VAL 59 HB VAL 59 11.938 0.662 -0.516 459 1HG1 VAL 59 HG13 VAL 59 9.082 1.477 0.066 460 2HG1 VAL 59 HG12 VAL 59 9.945 1.890 -1.415 461 3HG1 VAL 59 HG11 VAL 59 9.615 0.202 -1.029 462 1HG2 VAL 59 HG22 VAL 59 11.107 2.769 1.475 463 2HG2 VAL 59 HG21 VAL 59 12.697 2.473 0.772 464 3HG2 VAL 59 HG23 VAL 59 11.423 3.197 -0.209 465 H ASP 60 HN ASP 60 11.704 1.441 3.468 466 HA ASP 60 HA ASP 60 14.567 0.708 3.287 467 1HB ASP 60 HB2 ASP 60 12.951 2.641 4.934 468 2HB ASP 60 HB1 ASP 60 14.596 2.242 5.397 469 H ASP 61 HN ASP 61 11.890 0.225 5.651 470 HA ASP 61 HA ASP 61 13.690 -1.584 7.206 471 1HB ASP 61 HB2 ASP 61 10.857 -0.650 7.793 472 2HB ASP 61 HB1 ASP 61 11.854 -1.638 8.857 473 H ALA 62 HN ALA 62 11.191 -1.628 4.880 474 HA ALA 62 HA ALA 62 10.871 -4.586 5.203 475 1HB ALA 62 HB2 ALA 62 8.843 -2.854 5.503 476 2HB ALA 62 HB1 ALA 62 8.814 -2.963 3.745 477 3HB ALA 62 HB3 ALA 62 8.606 -4.416 4.722 478 H GLN 63 HN GLN 63 12.987 -3.314 3.819 479 HA GLN 63 HA GLN 63 12.545 -2.915 1.049 480 1HB GLN 63 HB2 GLN 63 14.940 -3.211 0.778 481 2HB GLN 63 HB1 GLN 63 14.652 -2.329 2.276 482 1HG GLN 63 HG2 GLN 63 14.757 -4.553 3.486 483 2HG GLN 63 HG1 GLN 63 15.325 -5.263 1.972 484 1HE2 GLN 63 HE22 GLN 63 17.991 -3.447 4.301 485 2HE2 GLN 63 HE21 GLN 63 16.462 -3.966 4.830 486 H ASP 64 HN ASP 64 12.662 -5.870 2.895 487 HA ASP 64 HA ASP 64 13.342 -7.615 0.731 488 1HB ASP 64 HB2 ASP 64 12.158 -9.374 2.133 489 2HB ASP 64 HB1 ASP 64 13.445 -8.505 2.966 490 H VAL 65 HN VAL 65 10.277 -6.265 1.893 491 HA VAL 65 HA VAL 65 8.630 -7.798 0.085 492 HB VAL 65 HB VAL 65 7.983 -5.069 1.231 493 1HG1 VAL 65 HG13 VAL 65 6.464 -6.119 -0.468 494 2HG1 VAL 65 HG12 VAL 65 6.219 -7.458 0.656 495 3HG1 VAL 65 HG11 VAL 65 5.696 -5.832 1.092 496 1HG2 VAL 65 HG21 VAL 65 8.130 -7.741 2.588 497 2HG2 VAL 65 HG23 VAL 65 8.602 -6.162 3.196 498 3HG2 VAL 65 HG22 VAL 65 6.899 -6.593 3.094 499 H ALA 66 HN ALA 66 9.999 -4.504 -0.001 500 HA ALA 66 HA ALA 66 8.825 -3.849 -2.545 501 1HB ALA 66 HB1 ALA 66 9.877 -2.320 -0.653 502 2HB ALA 66 HB3 ALA 66 11.346 -2.512 -1.612 503 3HB ALA 66 HB2 ALA 66 9.899 -1.810 -2.337 504 H SER 67 HN SER 67 12.007 -5.153 -1.605 505 HA SER 67 HA SER 67 13.218 -4.965 -4.178 506 1HB SER 67 HB2 SER 67 14.750 -6.720 -3.384 507 2HB SER 67 HB1 SER 67 14.480 -5.522 -2.121 508 HG SER 67 HG SER 67 13.742 -8.182 -2.263 509 H GLU 68 HN GLU 68 11.021 -7.341 -2.791 510 HA GLU 68 HA GLU 68 11.290 -9.339 -4.815 511 1HB GLU 68 HB2 GLU 68 10.124 -9.679 -2.637 512 2HB GLU 68 HB1 GLU 68 8.824 -8.626 -3.190 513 1HG GLU 68 HG2 GLU 68 8.533 -10.209 -5.162 514 2HG GLU 68 HG1 GLU 68 9.649 -11.302 -4.346 515 H ALA 69 HN ALA 69 9.303 -6.419 -4.586 516 HA ALA 69 HA ALA 69 8.009 -6.993 -7.174 517 1HB ALA 69 HB2 ALA 69 7.781 -4.603 -5.329 518 2HB ALA 69 HB1 ALA 69 6.781 -4.898 -6.753 519 3HB ALA 69 HB3 ALA 69 6.688 -5.981 -5.367 520 H GLU 70 HN GLU 70 10.986 -5.757 -6.362 521 HA GLU 70 HA GLU 70 12.501 -4.361 -7.491 522 1HB GLU 70 HB2 GLU 70 10.693 -5.160 -9.797 523 2HB GLU 70 HB1 GLU 70 12.188 -4.248 -9.997 524 1HG GLU 70 HG2 GLU 70 12.771 -6.519 -10.368 525 2HG GLU 70 HG1 GLU 70 13.349 -6.142 -8.748 526 H VAL 71 HN VAL 71 10.696 -2.897 -6.065 527 HA VAL 71 HA VAL 71 9.134 -1.076 -7.630 528 HB VAL 71 HB VAL 71 10.436 -0.553 -4.928 529 1HG1 VAL 71 HG13 VAL 71 8.079 0.670 -6.398 530 2HG1 VAL 71 HG12 VAL 71 8.435 0.969 -4.695 531 3HG1 VAL 71 HG11 VAL 71 9.581 1.473 -5.939 532 1HG2 VAL 71 HG23 VAL 71 7.869 -1.959 -5.736 533 2HG2 VAL 71 HG22 VAL 71 9.134 -2.540 -4.657 534 3HG2 VAL 71 HG21 VAL 71 8.063 -1.241 -4.137 535 H LYS 72 HN LYS 72 9.732 0.729 -8.739 536 HA LYS 72 HA LYS 72 12.628 1.412 -8.781 537 1HB LYS 72 HB2 LYS 72 10.443 1.986 -10.793 538 2HB LYS 72 HB1 LYS 72 12.139 2.420 -10.986 539 1HG LYS 72 HG2 LYS 72 11.313 -0.455 -10.482 540 2HG LYS 72 HG1 LYS 72 11.318 0.223 -12.109 541 1HD LYS 72 HD2 LYS 72 13.724 0.893 -11.746 542 2HD LYS 72 HD1 LYS 72 13.688 0.005 -10.228 543 1HE LYS 72 HE2 LYS 72 13.094 -2.057 -11.433 544 2HE LYS 72 HE1 LYS 72 13.116 -1.172 -12.959 545 1HZ LYS 72 HZ1 LYS 72 15.452 -0.603 -12.499 546 2HZ LYS 72 HZ3 LYS 72 15.408 -1.584 -11.116 547 3HZ LYS 72 HZ2 LYS 72 15.205 -2.279 -12.654 548 H ALA 73 HN ALA 73 9.618 2.625 -7.684 549 HA ALA 73 HA ALA 73 10.929 5.086 -6.845 550 1HB ALA 73 HB2 ALA 73 8.937 5.096 -9.092 551 2HB ALA 73 HB1 ALA 73 9.078 6.494 -8.027 552 3HB ALA 73 HB3 ALA 73 10.469 5.958 -8.968 553 H THR 74 HN THR 74 9.667 6.321 -5.365 554 HA THR 74 HA THR 74 7.172 4.998 -4.350 555 HB THR 74 HB THR 74 7.925 5.455 -2.075 556 HG1 THR 74 HG1 THR 74 10.216 6.405 -2.100 557 1HG2 THR 74 HG22 THR 74 10.233 4.395 -3.707 558 2HG2 THR 74 HG21 THR 74 10.060 4.220 -1.964 559 3HG2 THR 74 HG23 THR 74 8.912 3.441 -3.048 560 HA PRO 75 HA PRO 75 5.826 5.703 -2.554 561 1HB PRO 75 HB2 PRO 75 3.257 6.718 -2.497 562 2HB PRO 75 HB1 PRO 75 4.548 7.199 -1.386 563 1HG PRO 75 HG2 PRO 75 3.387 8.711 -3.647 564 2HG PRO 75 HG1 PRO 75 4.227 9.306 -2.210 565 1HD PRO 75 HD2 PRO 75 5.320 9.059 -4.834 566 2HD PRO 75 HD1 PRO 75 6.216 9.454 -3.346 567 H THR 76 HN THR 76 4.811 3.823 -3.188 568 HA THR 76 HA THR 76 3.365 3.837 -5.818 569 HB THR 76 HB THR 76 5.305 1.730 -4.838 570 HG1 THR 76 HG1 THR 76 5.439 3.660 -6.892 571 1HG2 THR 76 HG23 THR 76 3.488 1.917 -7.238 572 2HG2 THR 76 HG22 THR 76 4.923 0.891 -7.240 573 3HG2 THR 76 HG21 THR 76 3.632 0.599 -6.074 574 H PHE 77 HN PHE 77 1.464 2.803 -5.768 575 HA PHE 77 HA PHE 77 0.741 1.291 -3.284 576 1HB PHE 77 HB2 PHE 77 -1.051 2.700 -5.289 577 2HB PHE 77 HB1 PHE 77 -1.588 1.870 -3.821 578 HD1 PHE 77 HD1 PHE 77 -1.037 2.776 -1.580 579 HD2 PHE 77 HD2 PHE 77 0.072 4.822 -5.187 580 HE1 PHE 77 HE1 PHE 77 -0.579 4.835 -0.271 581 HE2 PHE 77 HE2 PHE 77 0.531 6.882 -3.882 582 HZ PHE 77 HZ PHE 77 0.201 6.888 -1.423 583 H GLN 78 HN GLN 78 0.286 -0.855 -3.527 584 HA GLN 78 HA GLN 78 -0.205 -1.893 -6.311 585 1HB GLN 78 HB2 GLN 78 1.325 -3.153 -4.028 586 2HB GLN 78 HB1 GLN 78 0.796 -4.048 -5.448 587 1HG GLN 78 HG2 GLN 78 2.054 -2.484 -6.893 588 2HG GLN 78 HG1 GLN 78 2.641 -1.639 -5.462 589 1HE2 GLN 78 HE22 GLN 78 5.417 -3.848 -5.690 590 2HE2 GLN 78 HE21 GLN 78 4.882 -2.250 -5.891 591 H PHE 79 HN PHE 79 -1.897 -3.241 -6.541 592 HA PHE 79 HA PHE 79 -3.639 -3.628 -4.131 593 1HB PHE 79 HB2 PHE 79 -4.275 -3.576 -7.092 594 2HB PHE 79 HB1 PHE 79 -5.452 -3.880 -5.809 595 HD1 PHE 79 HD2 PHE 79 -3.010 -1.397 -7.113 596 HD2 PHE 79 HD1 PHE 79 -6.317 -2.110 -4.484 597 HE1 PHE 79 HE2 PHE 79 -3.190 1.036 -6.680 598 HE2 PHE 79 HE1 PHE 79 -6.494 0.318 -4.038 599 HZ PHE 79 HZ PHE 79 -4.934 1.892 -5.135 600 H PHE 80 HN PHE 80 -4.065 -5.612 -3.437 601 HA PHE 80 HA PHE 80 -3.416 -7.944 -5.182 602 1HB PHE 80 HB2 PHE 80 -2.857 -7.555 -2.240 603 2HB PHE 80 HB1 PHE 80 -2.825 -9.138 -3.021 604 HD1 PHE 80 HD2 PHE 80 -1.168 -5.831 -2.795 605 HD2 PHE 80 HD1 PHE 80 -1.120 -9.726 -4.630 606 HE1 PHE 80 HE2 PHE 80 1.143 -5.437 -3.593 607 HE2 PHE 80 HE1 PHE 80 1.191 -9.319 -5.432 608 HZ PHE 80 HZ PHE 80 2.321 -7.172 -4.915 609 H LYS 81 HN LYS 81 -4.900 -9.651 -5.104 610 HA LYS 81 HA LYS 81 -7.118 -9.457 -3.140 611 1HB LYS 81 HB2 LYS 81 -7.626 -8.142 -5.355 612 2HB LYS 81 HB1 LYS 81 -7.781 -9.745 -6.079 613 1HG LYS 81 HG2 LYS 81 -9.444 -10.336 -4.308 614 2HG LYS 81 HG1 LYS 81 -9.345 -8.680 -3.716 615 1HD LYS 81 HD2 LYS 81 -9.882 -8.080 -6.255 616 2HD LYS 81 HD1 LYS 81 -10.554 -9.709 -6.269 617 1HE LYS 81 HE2 LYS 81 -12.446 -8.620 -5.534 618 2HE LYS 81 HE1 LYS 81 -11.665 -8.759 -3.958 619 1HZ LYS 81 HZ2 LYS 81 -10.510 -6.563 -4.860 620 2HZ LYS 81 HZ1 LYS 81 -11.998 -6.436 -5.670 621 3HZ LYS 81 HZ3 LYS 81 -11.962 -6.547 -3.978 622 H LYS 82 HN LYS 82 -7.541 -11.481 -2.458 623 HA LYS 82 HA LYS 82 -7.469 -13.814 -2.307 624 1HB LYS 82 HB2 LYS 82 -7.493 -13.662 -5.353 625 2HB LYS 82 HB1 LYS 82 -7.764 -15.109 -4.398 626 1HG LYS 82 HG2 LYS 82 -9.669 -13.833 -3.264 627 2HG LYS 82 HG1 LYS 82 -9.504 -12.646 -4.555 628 1HD LYS 82 HD2 LYS 82 -9.754 -14.546 -6.208 629 2HD LYS 82 HD1 LYS 82 -10.167 -15.583 -4.841 630 1HE LYS 82 HE2 LYS 82 -12.045 -14.096 -4.267 631 2HE LYS 82 HE1 LYS 82 -11.631 -13.043 -5.619 632 1HZ LYS 82 HZ2 LYS 82 -11.783 -15.473 -6.779 633 2HZ LYS 82 HZ1 LYS 82 -13.017 -15.562 -5.616 634 3HZ LYS 82 HZ3 LYS 82 -13.029 -14.317 -6.768 635 H GLY 83 HN GLY 83 -5.008 -12.143 -2.490 636 1HA GLY 83 HA2 GLY 83 -2.714 -12.655 -2.317 637 2HA GLY 83 HA1 GLY 83 -3.102 -14.324 -2.730 638 H GLN 84 HN GLN 84 -4.282 -11.831 -4.848 639 HA GLN 84 HA GLN 84 -2.063 -12.390 -6.763 640 1HB GLN 84 HB2 GLN 84 -5.032 -12.359 -7.315 641 2HB GLN 84 HB1 GLN 84 -3.818 -12.294 -8.587 642 1HG GLN 84 HG2 GLN 84 -3.877 -14.478 -6.495 643 2HG GLN 84 HG1 GLN 84 -4.700 -14.619 -8.048 644 1HE2 GLN 84 HE22 GLN 84 -0.952 -13.869 -9.128 645 2HE2 GLN 84 HE21 GLN 84 -2.072 -12.689 -8.638 646 H LYS 85 HN LYS 85 -1.274 -10.663 -7.878 647 HA LYS 85 HA LYS 85 -2.076 -7.983 -7.030 648 1HB LYS 85 HB2 LYS 85 0.277 -8.607 -7.498 649 2HB LYS 85 HB1 LYS 85 -0.150 -8.870 -9.189 650 1HG LYS 85 HG2 LYS 85 -0.835 -6.521 -9.397 651 2HG LYS 85 HG1 LYS 85 -0.468 -6.252 -7.696 652 1HD LYS 85 HD2 LYS 85 1.479 -5.486 -8.763 653 2HD LYS 85 HD1 LYS 85 1.916 -7.129 -8.305 654 1HE LYS 85 HE2 LYS 85 1.463 -7.934 -10.551 655 2HE LYS 85 HE1 LYS 85 0.814 -6.366 -11.028 656 1HZ LYS 85 HZ3 LYS 85 3.602 -6.885 -10.147 657 2HZ LYS 85 HZ2 LYS 85 3.105 -6.653 -11.754 658 3HZ LYS 85 HZ1 LYS 85 2.978 -5.385 -10.631 659 H VAL 86 HN VAL 86 -3.630 -6.777 -7.988 660 HA VAL 86 HA VAL 86 -4.401 -7.410 -10.819 661 HB VAL 86 HB VAL 86 -6.710 -6.653 -10.141 662 1HG1 VAL 86 HG13 VAL 86 -5.893 -9.087 -10.237 663 2HG1 VAL 86 HG12 VAL 86 -5.767 -8.997 -8.480 664 3HG1 VAL 86 HG11 VAL 86 -7.330 -8.780 -9.264 665 1HG2 VAL 86 HG21 VAL 86 -5.930 -5.416 -8.111 666 2HG2 VAL 86 HG23 VAL 86 -7.230 -6.555 -7.760 667 3HG2 VAL 86 HG22 VAL 86 -5.564 -6.964 -7.350 668 H GLY 87 HN GLY 87 -2.779 -5.116 -9.159 669 1HA GLY 87 HA2 GLY 87 -3.175 -3.112 -11.149 670 2HA GLY 87 HA1 GLY 87 -4.212 -2.712 -9.785 671 H GLU 88 HN GLU 88 -1.966 -1.184 -10.765 672 HA GLU 88 HA GLU 88 -0.643 -0.670 -8.251 673 1HB GLU 88 HB2 GLU 88 0.769 -2.535 -8.853 674 2HB GLU 88 HB1 GLU 88 0.956 -1.922 -10.494 675 1HG GLU 88 HG2 GLU 88 2.197 0.027 -9.659 676 2HG GLU 88 HG1 GLU 88 1.934 -0.489 -7.995 677 H PHE 89 HN PHE 89 0.485 1.335 -8.302 678 HA PHE 89 HA PHE 89 1.015 2.674 -10.817 679 1HB PHE 89 HB2 PHE 89 -0.572 4.465 -10.732 680 2HB PHE 89 HB1 PHE 89 -1.482 2.963 -10.635 681 HD1 PHE 89 HD1 PHE 89 -0.101 5.762 -8.632 682 HD2 PHE 89 HD2 PHE 89 -2.845 2.474 -8.733 683 HE1 PHE 89 HE1 PHE 89 -1.167 6.601 -6.553 684 HE2 PHE 89 HE2 PHE 89 -3.908 3.300 -6.649 685 HZ PHE 89 HZ PHE 89 -3.079 5.374 -5.560 686 H SER 90 HN SER 90 1.924 4.872 -10.445 687 HA SER 90 HA SER 90 2.951 5.216 -7.644 688 1HB SER 90 HB2 SER 90 5.078 5.979 -8.614 689 2HB SER 90 HB1 SER 90 4.728 4.319 -9.102 690 HG SER 90 HG SER 90 3.776 6.398 -10.705 691 H GLY 91 HN GLY 91 3.575 7.405 -7.146 692 1HA GLY 91 HA2 GLY 91 3.610 9.788 -7.977 693 2HA GLY 91 HA1 GLY 91 2.056 9.456 -8.742 694 H ALA 92 HN ALA 92 2.883 11.359 -6.497 695 HA ALA 92 HA ALA 92 1.542 10.299 -4.128 696 1HB ALA 92 HB3 ALA 92 2.539 13.050 -4.905 697 2HB ALA 92 HB2 ALA 92 1.805 12.701 -3.341 698 3HB ALA 92 HB1 ALA 92 3.309 11.904 -3.812 699 H ASN 93 HN ASN 93 -0.454 9.788 -5.620 700 HA ASN 93 HA ASN 93 -2.307 12.161 -5.582 701 1HB ASN 93 HB2 ASN 93 -1.739 11.216 -7.877 702 2HB ASN 93 HB1 ASN 93 -2.545 9.730 -7.376 703 1HD2 ASN 93 HD22 ASN 93 -5.343 12.562 -6.923 704 2HD2 ASN 93 HD21 ASN 93 -4.080 12.307 -5.822 705 H LYS 94 HN LYS 94 -3.188 11.764 -3.532 706 HA LYS 94 HA LYS 94 -3.887 9.134 -2.580 707 1HB LYS 94 HB2 LYS 94 -5.224 10.444 -0.896 708 2HB LYS 94 HB1 LYS 94 -3.517 10.850 -0.977 709 1HG LYS 94 HG2 LYS 94 -5.125 12.489 -2.832 710 2HG LYS 94 HG1 LYS 94 -5.672 12.667 -1.165 711 1HD LYS 94 HD2 LYS 94 -3.271 13.098 -0.499 712 2HD LYS 94 HD1 LYS 94 -2.857 13.110 -2.218 713 1HE LYS 94 HE2 LYS 94 -4.387 14.980 -2.590 714 2HE LYS 94 HE1 LYS 94 -4.891 14.928 -0.901 715 1HZ LYS 94 HZ1 LYS 94 -2.030 15.150 -1.432 716 2HZ LYS 94 HZ3 LYS 94 -2.972 16.523 -1.756 717 3HZ LYS 94 HZ2 LYS 94 -2.961 15.849 -0.197 718 H GLU 95 HN GLU 95 -5.737 11.617 -4.314 719 HA GLU 95 HA GLU 95 -8.323 10.469 -3.977 720 1HB GLU 95 HB2 GLU 95 -7.179 12.026 -6.316 721 2HB GLU 95 HB1 GLU 95 -8.891 11.735 -6.035 722 1HG GLU 95 HG2 GLU 95 -7.100 13.110 -4.026 723 2HG GLU 95 HG1 GLU 95 -8.060 13.981 -5.221 724 H LYS 96 HN LYS 96 -5.660 9.706 -6.096 725 HA LYS 96 HA LYS 96 -7.019 8.113 -8.024 726 1HB LYS 96 HB2 LYS 96 -4.643 8.963 -8.096 727 2HB LYS 96 HB1 LYS 96 -4.215 7.682 -6.985 728 1HG LYS 96 HG2 LYS 96 -4.783 5.978 -8.544 729 2HG LYS 96 HG1 LYS 96 -5.608 7.123 -9.606 730 1HD LYS 96 HD2 LYS 96 -3.454 8.275 -10.020 731 2HD LYS 96 HD1 LYS 96 -2.635 7.096 -8.999 732 1HE LYS 96 HE2 LYS 96 -3.294 5.283 -10.517 733 2HE LYS 96 HE1 LYS 96 -4.201 6.424 -11.512 734 1HZ LYS 96 HZ2 LYS 96 -2.052 7.656 -11.783 735 2HZ LYS 96 HZ1 LYS 96 -1.271 6.316 -11.087 736 3HZ LYS 96 HZ3 LYS 96 -2.120 6.139 -12.546 737 H LEU 97 HN LEU 97 -5.796 7.395 -4.793 738 HA LEU 97 HA LEU 97 -5.976 4.559 -4.891 739 1HB LEU 97 HB2 LEU 97 -6.362 6.571 -2.663 740 2HB LEU 97 HB1 LEU 97 -6.538 4.853 -2.369 741 HG LEU 97 HG LEU 97 -4.060 6.082 -3.587 742 1HD1 LEU 97 HD12 LEU 97 -4.728 5.453 -0.702 743 2HD1 LEU 97 HD11 LEU 97 -3.088 5.735 -1.282 744 3HD1 LEU 97 HD13 LEU 97 -4.290 7.020 -1.379 745 1HD2 LEU 97 HD23 LEU 97 -4.856 3.331 -2.630 746 2HD2 LEU 97 HD22 LEU 97 -3.966 3.788 -4.080 747 3HD2 LEU 97 HD21 LEU 97 -3.177 3.828 -2.513 748 H GLU 98 HN GLU 98 -8.344 7.085 -4.245 749 HA GLU 98 HA GLU 98 -10.496 5.384 -3.454 750 1HB GLU 98 HB2 GLU 98 -10.499 7.878 -3.240 751 2HB GLU 98 HB1 GLU 98 -10.743 7.986 -4.982 752 1HG GLU 98 HG2 GLU 98 -12.830 6.646 -4.764 753 2HG GLU 98 HG1 GLU 98 -12.599 6.606 -3.016 754 H ALA 99 HN ALA 99 -9.606 6.553 -6.709 755 HA ALA 99 HA ALA 99 -11.870 5.289 -7.957 756 1HB ALA 99 HB1 ALA 99 -10.547 7.116 -9.019 757 2HB ALA 99 HB3 ALA 99 -9.194 5.999 -9.207 758 3HB ALA 99 HB2 ALA 99 -10.706 5.707 -10.068 759 H THR 100 HN THR 100 -8.480 4.185 -7.561 760 HA THR 100 HA THR 100 -8.889 1.747 -9.012 761 HB THR 100 HB THR 100 -6.961 2.146 -6.710 762 HG1 THR 100 HG1 THR 100 -6.433 3.774 -8.000 763 1HG2 THR 100 HG22 THR 100 -7.021 0.380 -9.168 764 2HG2 THR 100 HG21 THR 100 -5.589 0.597 -8.167 765 3HG2 THR 100 HG23 THR 100 -7.042 -0.132 -7.480 766 H ILE 101 HN ILE 101 -9.250 2.588 -5.592 767 HA ILE 101 HA ILE 101 -9.910 -0.062 -4.629 768 HB ILE 101 HB ILE 101 -10.609 2.726 -3.642 769 1HG1 ILE 101 HG12 ILE 101 -8.718 0.672 -2.467 770 2HG1 ILE 101 HG11 ILE 101 -8.192 1.890 -3.624 771 1HG2 ILE 101 HG21 ILE 101 -11.209 0.011 -2.455 772 2HG2 ILE 101 HG23 ILE 101 -11.122 1.466 -1.465 773 3HG2 ILE 101 HG22 ILE 101 -12.325 1.343 -2.745 774 1HD1 ILE 101 HD13 ILE 101 -9.222 3.623 -2.026 775 2HD1 ILE 101 HD12 ILE 101 -9.305 2.317 -0.847 776 3HD1 ILE 101 HD11 ILE 101 -7.743 2.830 -1.485 777 H ASN 102 HN ASN 102 -11.835 2.721 -5.671 778 HA ASN 102 HA ASN 102 -14.406 1.534 -5.430 779 1HB ASN 102 HB2 ASN 102 -13.864 3.994 -5.833 780 2HB ASN 102 HB1 ASN 102 -13.529 3.572 -7.515 781 1HD2 ASN 102 HD22 ASN 102 -17.321 2.466 -6.812 782 2HD2 ASN 102 HD21 ASN 102 -15.997 1.641 -6.159 783 H GLU 103 HN GLU 103 -11.980 1.489 -7.969 784 HA GLU 103 HA GLU 103 -13.589 0.248 -9.993 785 1HB GLU 103 HB2 GLU 103 -11.375 1.476 -10.283 786 2HB GLU 103 HB1 GLU 103 -10.593 0.044 -9.640 787 1HG GLU 103 HG2 GLU 103 -10.526 -0.187 -12.019 788 2HG GLU 103 HG1 GLU 103 -11.776 -1.292 -11.450 789 H LEU 104 HN LEU 104 -11.377 -1.049 -7.519 790 HA LEU 104 HA LEU 104 -12.000 -3.821 -8.389 791 1HB LEU 104 HB2 LEU 104 -10.018 -2.769 -6.358 792 2HB LEU 104 HB1 LEU 104 -10.185 -4.460 -6.826 793 HG LEU 104 HG LEU 104 -9.481 -2.178 -8.702 794 1HD1 LEU 104 HD12 LEU 104 -7.820 -4.292 -7.331 795 2HD1 LEU 104 HD11 LEU 104 -7.258 -3.422 -8.758 796 3HD1 LEU 104 HD13 LEU 104 -7.615 -2.543 -7.273 797 1HD2 LEU 104 HD21 LEU 104 -10.020 -5.116 -9.083 798 2HD2 LEU 104 HD23 LEU 104 -10.440 -3.755 -10.126 799 3HD2 LEU 104 HD22 LEU 104 -8.782 -4.358 -10.086 800 H VAL 105 HN VAL 105 -13.337 -1.638 -6.181 801 HA VAL 105 HA VAL 105 -13.660 -3.357 -3.900 802 HB VAL 105 HB VAL 105 -14.157 -0.858 -3.950 803 1HG1 VAL 105 HG12 VAL 105 -15.649 -1.194 -6.063 804 2HG1 VAL 105 HG11 VAL 105 -16.899 -1.664 -4.917 805 3HG1 VAL 105 HG13 VAL 105 -16.184 -0.052 -4.830 806 1HG2 VAL 105 HG22 VAL 105 -14.802 -2.402 -2.085 807 2HG2 VAL 105 HG21 VAL 105 -15.932 -1.060 -2.278 808 3HG2 VAL 105 HG23 VAL 105 -16.356 -2.664 -2.882 809 HA PRO 59 HA PRO 106 13.657 15.814 -14.084 810 1HB PRO 59 HB2 PRO 106 16.038 14.703 -13.164 811 2HB PRO 59 HB1 PRO 106 15.814 15.439 -14.759 812 1HG PRO 59 HG2 PRO 106 17.085 16.567 -12.319 813 2HG PRO 59 HG1 PRO 106 17.485 16.825 -14.027 814 1HD PRO 59 HD2 PRO 106 16.113 18.664 -12.501 815 2HD PRO 59 HD1 PRO 106 15.948 18.539 -14.266 816 H ALA 60 HN ALA 107 14.614 16.871 -10.864 817 HA ALA 60 HA ALA 107 13.588 14.345 -9.664 818 1HB ALA 60 HB3 ALA 107 14.866 16.793 -8.402 819 2HB ALA 60 HB2 ALA 107 14.383 15.342 -7.528 820 3HB ALA 60 HB1 ALA 107 15.670 15.259 -8.731 821 H THR 61 HN THR 108 11.483 14.240 -9.067 822 HA THR 61 HA THR 108 9.974 16.800 -8.626 823 HB THR 61 HB THR 108 8.805 14.070 -9.241 824 HG1 THR 61 HG1 THR 108 9.478 16.224 -10.958 825 1HG2 THR 61 HG22 THR 108 7.465 16.052 -8.177 826 2HG2 THR 61 HG21 THR 108 7.582 16.766 -9.781 827 3HG2 THR 61 HG23 THR 108 6.780 15.216 -9.566 828 H LEU 62 HN LEU 109 9.205 17.153 -6.598 829 HA LEU 62 HA LEU 109 9.910 15.447 -4.412 830 1HB LEU 62 HB2 LEU 109 7.903 17.703 -4.644 831 2HB LEU 62 HB1 LEU 109 8.294 16.910 -3.119 832 HG LEU 62 HG LEU 109 10.330 18.275 -4.906 833 1HD1 LEU 62 HD12 LEU 109 8.946 19.205 -2.377 834 2HD1 LEU 62 HD11 LEU 109 10.311 20.028 -3.128 835 3HD1 LEU 62 HD13 LEU 109 8.775 19.908 -3.982 836 1HD2 LEU 62 HD23 LEU 109 10.462 16.810 -2.277 837 2HD2 LEU 62 HD22 LEU 109 11.599 16.782 -3.627 838 3HD2 LEU 62 HD21 LEU 109 11.555 18.170 -2.542 839 H LYS 63 HN LYS 110 7.167 15.534 -6.529 840 HA LYS 63 HA LYS 110 5.254 14.162 -4.925 841 1HB LYS 63 HB2 LYS 110 5.654 14.014 -7.929 842 2HB LYS 63 HB1 LYS 110 4.191 13.552 -7.066 843 1HG LYS 63 HG2 LYS 110 5.377 16.343 -7.085 844 2HG LYS 63 HG1 LYS 110 4.014 15.820 -8.070 845 1HD LYS 63 HD2 LYS 110 2.928 15.134 -5.815 846 2HD LYS 63 HD1 LYS 110 4.154 16.162 -5.078 847 1HE LYS 63 HE2 LYS 110 3.398 18.077 -6.389 848 2HE LYS 63 HE1 LYS 110 2.220 17.070 -7.230 849 1HZ LYS 63 HZ3 LYS 110 1.989 16.842 -4.398 850 2HZ LYS 63 HZ2 LYS 110 1.807 18.453 -4.907 851 3HZ LYS 63 HZ1 LYS 110 0.804 17.236 -5.546 852 H ILE 64 HN ILE 111 8.162 13.128 -6.429 853 HA ILE 64 HA ILE 111 7.577 10.265 -5.707 854 HB ILE 64 HB ILE 111 9.072 11.339 -8.131 855 1HG1 ILE 64 HG12 ILE 111 6.646 11.308 -8.436 856 2HG1 ILE 64 HG11 ILE 111 7.386 10.042 -9.408 857 1HG2 ILE 64 HG23 ILE 111 8.901 8.564 -6.958 858 2HG2 ILE 64 HG22 ILE 111 9.254 8.825 -8.667 859 3HG2 ILE 64 HG21 ILE 111 10.338 9.470 -7.431 860 1HD1 ILE 64 HD13 ILE 111 6.906 8.585 -7.210 861 2HD1 ILE 64 HD12 ILE 111 5.676 9.815 -6.977 862 3HD1 ILE 64 HD11 ILE 111 5.670 8.835 -8.440 863 H CYS 65 HN CYS 112 9.304 9.237 -4.590 864 HA CYS 65 HA CYS 112 11.679 10.948 -3.975 865 1HB CYS 65 HB2 CYS 112 11.083 8.336 -2.576 866 2HB CYS 65 HB1 CYS 112 11.975 9.726 -1.977 867 H SER 66 HN SER 113 13.640 10.345 -4.895 868 HA SER 66 HA SER 113 13.627 8.083 -6.763 869 1HB SER 66 HB2 SER 113 15.858 9.985 -5.991 870 2HB SER 66 HB1 SER 113 15.908 8.843 -7.329 871 HG SER 66 HG SER 113 13.646 10.265 -7.446 872 H TRP 67 HN TRP 114 14.875 6.194 -6.642 873 HA TRP 67 HA TRP 114 15.605 5.305 -3.949 874 1HB TRP 67 HB2 TRP 114 15.734 3.943 -6.656 875 2HB TRP 67 HB1 TRP 114 16.256 3.170 -5.156 876 HD1 TRP 67 HD1 TRP 114 13.142 5.194 -6.232 877 HE1 TRP 67 HE1 TRP 114 11.055 3.996 -5.307 878 HE3 TRP 67 HE3 TRP 114 15.336 1.239 -3.879 879 HZ2 TRP 67 HZ2 TRP 114 10.425 1.702 -3.749 880 HZ3 TRP 67 HZ3 TRP 114 13.977 -0.434 -2.676 881 HH2 TRP 67 HH2 TRP 114 11.516 -0.211 -2.621 882 H ASN 68 HN ASN 115 17.221 6.792 -6.595 883 HA ASN 68 HA ASN 115 19.855 5.773 -6.346 884 1HB ASN 68 HB2 ASN 115 18.877 8.587 -6.947 885 2HB ASN 68 HB1 ASN 115 20.560 8.078 -7.110 886 1HD2 ASN 68 HD22 ASN 115 18.503 5.601 -9.495 887 2HD2 ASN 68 HD21 ASN 115 18.500 5.471 -7.803 888 H VAL 69 HN VAL 116 17.917 7.402 -4.127 889 HA VAL 69 HA VAL 116 19.855 8.899 -2.652 890 HB VAL 69 HB VAL 116 17.426 9.190 -2.403 891 1HG1 VAL 69 HG11 VAL 116 16.940 6.714 -2.676 892 2HG1 VAL 69 HG13 VAL 116 17.427 6.506 -0.995 893 3HG1 VAL 69 HG12 VAL 116 16.032 7.510 -1.394 894 1HG2 VAL 69 HG21 VAL 116 18.997 9.757 -0.535 895 2HG2 VAL 69 HG23 VAL 116 17.370 9.357 0.017 896 3HG2 VAL 69 HG22 VAL 116 18.667 8.171 0.168 897 H ASP 70 HN ASP 117 21.263 8.240 -1.015 898 HA ASP 70 HA ASP 117 22.165 5.547 -0.951 899 1HB ASP 70 HB2 ASP 117 22.503 7.814 1.035 900 2HB ASP 70 HB1 ASP 117 23.318 6.255 1.204 901 H GLY 71 HN GLY 118 19.883 7.275 1.166 902 1HA GLY 71 HA2 GLY 118 18.273 6.398 2.640 903 2HA GLY 71 HA1 GLY 118 18.549 4.823 1.894 No H/Q in entry = 903 Start of MODEL 11 1 1H MET 1 HT2 MET 1 -8.845 -2.683 8.440 2 2H MET 1 HT1 MET 1 -8.576 -3.917 9.576 3 3H MET 1 HT3 MET 1 -9.836 -2.806 9.815 4 HA MET 1 HA MET 1 -8.400 -1.068 10.332 5 1HB MET 1 HB2 MET 1 -7.217 -3.639 11.428 6 2HB MET 1 HB1 MET 1 -6.903 -2.032 12.081 7 1HG MET 1 HG2 MET 1 -9.638 -3.338 11.891 8 2HG MET 1 HG1 MET 1 -8.670 -3.214 13.357 9 1HE MET 1 HE1 MET 1 -11.544 -2.362 13.208 10 2HE MET 1 HE3 MET 1 -10.635 -1.972 14.676 11 3HE MET 1 HE2 MET 1 -11.629 -0.743 13.898 12 H VAL 2 HN VAL 2 -5.817 -0.773 10.834 13 HA VAL 2 HA VAL 2 -4.531 -1.080 8.158 14 HB VAL 2 HB VAL 2 -3.861 0.651 10.555 15 1HG1 VAL 2 HG11 VAL 2 -2.582 0.466 7.808 16 2HG1 VAL 2 HG13 VAL 2 -2.277 1.760 8.965 17 3HG1 VAL 2 HG12 VAL 2 -1.806 0.107 9.350 18 1HG2 VAL 2 HG23 VAL 2 -5.042 1.230 7.822 19 2HG2 VAL 2 HG22 VAL 2 -5.898 1.312 9.360 20 3HG2 VAL 2 HG21 VAL 2 -4.608 2.459 9.005 21 H LYS 3 HN LYS 3 -2.566 -2.204 7.912 22 HA LYS 3 HA LYS 3 -1.375 -3.473 10.358 23 1HB LYS 3 HB2 LYS 3 -2.799 -5.085 9.034 24 2HB LYS 3 HB1 LYS 3 -1.758 -4.792 7.647 25 1HG LYS 3 HG2 LYS 3 -0.808 -6.729 8.554 26 2HG LYS 3 HG1 LYS 3 0.181 -5.473 9.287 27 1HD LYS 3 HD2 LYS 3 -1.168 -5.551 11.327 28 2HD LYS 3 HD1 LYS 3 -2.235 -6.747 10.591 29 1HE LYS 3 HE2 LYS 3 -0.613 -7.877 12.036 30 2HE LYS 3 HE1 LYS 3 -0.291 -8.285 10.350 31 1HZ LYS 3 HZ1 LYS 3 1.056 -5.969 11.557 32 2HZ LYS 3 HZ3 LYS 3 1.634 -7.529 11.893 33 3HZ LYS 3 HZ2 LYS 3 1.571 -6.975 10.288 34 H GLN 4 HN GLN 4 0.816 -3.121 10.470 35 HA GLN 4 HA GLN 4 2.168 -1.948 8.079 36 1HB GLN 4 HB2 GLN 4 2.424 -0.777 10.278 37 2HB GLN 4 HB1 GLN 4 3.180 -2.230 10.934 38 1HG GLN 4 HG2 GLN 4 4.971 -2.080 9.227 39 2HG GLN 4 HG1 GLN 4 4.213 -0.629 8.567 40 1HE2 GLN 4 HE22 GLN 4 6.777 0.694 10.832 41 2HE2 GLN 4 HE21 GLN 4 6.684 -0.035 9.302 42 H ILE 5 HN ILE 5 3.407 -3.280 6.857 43 HA ILE 5 HA ILE 5 4.153 -5.962 7.960 44 HB ILE 5 HB ILE 5 4.276 -4.947 5.115 45 1HG1 ILE 5 HG12 ILE 5 1.969 -4.827 5.837 46 2HG1 ILE 5 HG11 ILE 5 2.141 -6.255 4.822 47 1HG2 ILE 5 HG21 ILE 5 5.329 -7.285 6.346 48 2HG2 ILE 5 HG23 ILE 5 3.901 -7.819 5.461 49 3HG2 ILE 5 HG22 ILE 5 5.191 -6.960 4.626 50 1HD1 ILE 5 HD11 ILE 5 2.563 -7.524 7.052 51 2HD1 ILE 5 HD13 ILE 5 1.847 -6.105 7.812 52 3HD1 ILE 5 HD12 ILE 5 0.911 -7.051 6.659 53 H GLU 6 HN GLU 6 6.188 -5.998 8.796 54 HA GLU 6 HA GLU 6 8.240 -4.141 7.684 55 1HB GLU 6 HB2 GLU 6 8.297 -5.908 10.151 56 2HB GLU 6 HB1 GLU 6 9.532 -4.738 9.686 57 1HG GLU 6 HG2 GLU 6 6.646 -3.959 10.122 58 2HG GLU 6 HG1 GLU 6 7.847 -3.927 11.413 59 H SER 7 HN SER 7 7.144 -7.227 7.149 60 HA SER 7 HA SER 7 9.729 -8.010 5.919 61 1HB SER 7 HB2 SER 7 9.644 -10.257 6.946 62 2HB SER 7 HB1 SER 7 9.840 -8.997 8.168 63 HG SER 7 HG SER 7 8.201 -10.503 8.723 64 H LYS 8 HN LYS 8 9.509 -9.613 4.298 65 HA LYS 8 HA LYS 8 7.034 -9.605 2.838 66 1HB LYS 8 HB2 LYS 8 9.354 -10.080 1.904 67 2HB LYS 8 HB1 LYS 8 9.219 -11.684 2.632 68 1HG LYS 8 HG2 LYS 8 6.978 -11.876 1.372 69 2HG LYS 8 HG1 LYS 8 7.525 -10.478 0.448 70 1HD LYS 8 HD2 LYS 8 9.034 -13.096 0.712 71 2HD LYS 8 HD1 LYS 8 8.089 -12.598 -0.692 72 1HE LYS 8 HE2 LYS 8 10.316 -12.021 -1.245 73 2HE LYS 8 HE1 LYS 8 9.581 -10.502 -0.733 74 1HZ LYS 8 HZ3 LYS 8 10.615 -11.876 1.502 75 2HZ LYS 8 HZ2 LYS 8 11.828 -11.732 0.322 76 3HZ LYS 8 HZ1 LYS 8 11.040 -10.346 0.909 77 H THR 9 HN THR 9 8.388 -11.726 5.298 78 HA THR 9 HA THR 9 6.699 -13.964 4.918 79 HB THR 9 HB THR 9 7.666 -12.866 7.570 80 HG1 THR 9 HG1 THR 9 9.536 -13.741 7.112 81 1HG2 THR 9 HG23 THR 9 6.771 -15.617 6.674 82 2HG2 THR 9 HG22 THR 9 7.562 -15.290 8.216 83 3HG2 THR 9 HG21 THR 9 5.983 -14.583 7.867 84 H ALA 10 HN ALA 10 6.183 -11.090 6.960 85 HA ALA 10 HA ALA 10 3.527 -11.885 7.769 86 1HB ALA 10 HB1 ALA 10 4.997 -9.235 7.741 87 2HB ALA 10 HB3 ALA 10 3.329 -9.367 8.296 88 3HB ALA 10 HB2 ALA 10 4.608 -10.242 9.135 89 H PHE 11 HN PHE 11 4.845 -10.149 5.022 90 HA PHE 11 HA PHE 11 2.452 -8.955 4.043 91 1HB PHE 11 HB2 PHE 11 4.818 -8.642 3.161 92 2HB PHE 11 HB1 PHE 11 4.662 -10.194 2.369 93 HD1 PHE 11 HD1 PHE 11 2.761 -6.982 2.723 94 HD2 PHE 11 HD2 PHE 11 3.907 -10.226 0.161 95 HE1 PHE 11 HE1 PHE 11 1.594 -5.904 0.832 96 HE2 PHE 11 HE2 PHE 11 2.735 -9.148 -1.735 97 HZ PHE 11 HZ PHE 11 1.573 -6.986 -1.400 98 H GLN 12 HN GLN 12 3.865 -12.166 3.478 99 HA GLN 12 HA GLN 12 1.823 -13.099 1.685 100 1HB GLN 12 HB2 GLN 12 3.645 -14.625 3.584 101 2HB GLN 12 HB1 GLN 12 2.694 -15.361 2.293 102 1HG GLN 12 HG2 GLN 12 4.807 -13.220 1.890 103 2HG GLN 12 HG1 GLN 12 5.050 -14.943 1.606 104 1HE2 GLN 12 HE22 GLN 12 2.841 -14.961 -1.298 105 2HE2 GLN 12 HE21 GLN 12 3.225 -15.919 0.049 106 H GLU 13 HN GLU 13 2.244 -13.332 5.197 107 HA GLU 13 HA GLU 13 -0.074 -14.925 5.735 108 1HB GLU 13 HB2 GLU 13 1.393 -12.891 7.444 109 2HB GLU 13 HB1 GLU 13 0.194 -14.016 8.057 110 1HG GLU 13 HG2 GLU 13 2.753 -14.819 6.651 111 2HG GLU 13 HG1 GLU 13 2.517 -14.838 8.397 112 H ALA 14 HN ALA 14 0.409 -11.423 5.520 113 HA ALA 14 HA ALA 14 -2.224 -10.731 6.429 114 1HB ALA 14 HB3 ALA 14 -0.305 -9.131 6.324 115 2HB ALA 14 HB2 ALA 14 -0.410 -9.169 4.564 116 3HB ALA 14 HB1 ALA 14 -1.747 -8.519 5.513 117 H LEU 15 HN LEU 15 -0.844 -11.308 3.205 118 HA LEU 15 HA LEU 15 -3.174 -10.629 1.721 119 1HB LEU 15 HB2 LEU 15 -0.968 -12.633 1.193 120 2HB LEU 15 HB1 LEU 15 -2.212 -12.237 0.014 121 HG LEU 15 HG LEU 15 -0.455 -10.142 1.304 122 1HD1 LEU 15 HD11 LEU 15 0.002 -11.846 -1.143 123 2HD1 LEU 15 HD13 LEU 15 0.705 -10.235 -1.021 124 3HD1 LEU 15 HD12 LEU 15 1.122 -11.468 0.166 125 1HD2 LEU 15 HD23 LEU 15 -2.405 -10.185 -1.005 126 2HD2 LEU 15 HD22 LEU 15 -2.292 -9.035 0.326 127 3HD2 LEU 15 HD21 LEU 15 -1.101 -8.997 -0.969 128 H ASP 16 HN ASP 16 -2.134 -13.639 3.290 129 HA ASP 16 HA ASP 16 -4.379 -15.184 2.351 130 1HB ASP 16 HB2 ASP 16 -2.152 -16.078 3.299 131 2HB ASP 16 HB1 ASP 16 -2.851 -15.770 4.893 132 H ALA 17 HN ALA 17 -3.782 -13.219 5.222 133 HA ALA 17 HA ALA 17 -6.148 -14.024 6.653 134 1HB ALA 17 HB1 ALA 17 -4.379 -11.575 6.818 135 2HB ALA 17 HB3 ALA 17 -5.727 -11.859 7.919 136 3HB ALA 17 HB2 ALA 17 -4.369 -12.982 7.880 137 H ALA 18 HN ALA 18 -5.485 -11.449 4.317 138 HA ALA 18 HA ALA 18 -7.942 -10.020 4.636 139 1HB ALA 18 HB2 ALA 18 -6.126 -10.356 2.236 140 2HB ALA 18 HB1 ALA 18 -7.494 -9.243 2.280 141 3HB ALA 18 HB3 ALA 18 -6.136 -9.015 3.383 142 H GLY 19 HN GLY 19 -7.083 -12.895 2.798 143 1HA GLY 19 HA2 GLY 19 -8.460 -14.506 1.796 144 2HA GLY 19 HA1 GLY 19 -9.821 -13.764 2.638 145 H ASP 20 HN ASP 20 -11.355 -13.142 1.195 146 HA ASP 20 HA ASP 20 -10.577 -12.445 -1.575 147 1HB ASP 20 HB2 ASP 20 -13.296 -12.791 -0.287 148 2HB ASP 20 HB1 ASP 20 -13.014 -12.487 -2.002 149 H LYS 21 HN LYS 21 -10.757 -10.710 1.205 150 HA LYS 21 HA LYS 21 -12.327 -8.429 0.308 151 1HB LYS 21 HB2 LYS 21 -10.247 -8.732 2.497 152 2HB LYS 21 HB1 LYS 21 -11.179 -7.261 2.221 153 1HG LYS 21 HG2 LYS 21 -13.264 -8.825 2.415 154 2HG LYS 21 HG1 LYS 21 -12.144 -9.955 3.178 155 1HD LYS 21 HD2 LYS 21 -11.462 -7.965 4.687 156 2HD LYS 21 HD1 LYS 21 -12.932 -7.188 4.100 157 1HE LYS 21 HE2 LYS 21 -14.150 -9.340 4.805 158 2HE LYS 21 HE1 LYS 21 -12.675 -9.742 5.687 159 1HZ LYS 21 HZ1 LYS 21 -13.282 -7.096 6.269 160 2HZ LYS 21 HZ3 LYS 21 -14.732 -7.964 6.421 161 3HZ LYS 21 HZ2 LYS 21 -13.365 -8.434 7.312 162 H LEU 22 HN LEU 22 -11.444 -6.396 -0.453 163 HA LEU 22 HA LEU 22 -9.241 -6.641 -2.236 164 1HB LEU 22 HB2 LEU 22 -11.255 -4.809 -1.837 165 2HB LEU 22 HB1 LEU 22 -9.876 -3.923 -1.209 166 HG LEU 22 HG LEU 22 -10.184 -5.086 -3.980 167 1HD1 LEU 22 HD12 LEU 22 -10.562 -2.400 -2.782 168 2HD1 LEU 22 HD11 LEU 22 -9.538 -2.393 -4.214 169 3HD1 LEU 22 HD13 LEU 22 -11.165 -3.057 -4.299 170 1HD2 LEU 22 HD21 LEU 22 -7.783 -3.938 -2.557 171 2HD2 LEU 22 HD23 LEU 22 -7.877 -5.392 -3.552 172 3HD2 LEU 22 HD22 LEU 22 -7.932 -3.806 -4.302 173 H VAL 23 HN VAL 23 -7.095 -5.613 -1.995 174 HA VAL 23 HA VAL 23 -6.265 -4.930 0.767 175 HB VAL 23 HB VAL 23 -4.837 -6.974 -0.961 176 1HG1 VAL 23 HG12 VAL 23 -4.289 -5.732 1.738 177 2HG1 VAL 23 HG11 VAL 23 -3.638 -7.316 1.316 178 3HG1 VAL 23 HG13 VAL 23 -3.200 -5.901 0.360 179 1HG2 VAL 23 HG22 VAL 23 -6.621 -7.253 1.461 180 2HG2 VAL 23 HG21 VAL 23 -6.830 -8.001 -0.122 181 3HG2 VAL 23 HG23 VAL 23 -5.516 -8.521 0.933 182 H VAL 24 HN VAL 24 -5.428 -2.941 0.483 183 HA VAL 24 HA VAL 24 -3.946 -2.340 -2.039 184 HB VAL 24 HB VAL 24 -4.899 -0.428 0.127 185 1HG1 VAL 24 HG11 VAL 24 -2.977 0.284 -1.370 186 2HG1 VAL 24 HG13 VAL 24 -4.075 0.115 -2.740 187 3HG1 VAL 24 HG12 VAL 24 -4.410 1.303 -1.481 188 1HG2 VAL 24 HG21 VAL 24 -6.138 -1.146 -2.541 189 2HG2 VAL 24 HG23 VAL 24 -6.802 -1.551 -0.961 190 3HG2 VAL 24 HG22 VAL 24 -6.703 0.134 -1.472 191 H VAL 25 HN VAL 25 -1.747 -1.771 -1.919 192 HA VAL 25 HA VAL 25 -0.481 -1.855 0.812 193 HB VAL 25 HB VAL 25 0.675 -2.900 -1.790 194 1HG1 VAL 25 HG13 VAL 25 1.672 -2.891 1.067 195 2HG1 VAL 25 HG12 VAL 25 2.407 -3.834 -0.229 196 3HG1 VAL 25 HG11 VAL 25 2.404 -2.073 -0.313 197 1HG2 VAL 25 HG21 VAL 25 -1.242 -4.230 -0.756 198 2HG2 VAL 25 HG23 VAL 25 0.279 -5.102 -0.934 199 3HG2 VAL 25 HG22 VAL 25 -0.199 -4.473 0.640 200 H ASP 26 HN ASP 26 0.529 -0.017 1.293 201 HA ASP 26 HA ASP 26 1.208 1.893 -0.904 202 1HB ASP 26 HB2 ASP 26 -0.200 2.717 0.942 203 2HB ASP 26 HB1 ASP 26 1.057 2.283 2.102 204 H PHE 27 HN PHE 27 3.288 1.574 -1.625 205 HA PHE 27 HA PHE 27 5.432 0.853 0.325 206 1HB PHE 27 HB2 PHE 27 5.396 1.193 -2.700 207 2HB PHE 27 HB1 PHE 27 6.879 0.932 -1.783 208 HD1 PHE 27 HD1 PHE 27 7.292 -1.208 -0.637 209 HD2 PHE 27 HD2 PHE 27 3.768 -0.573 -3.011 210 HE1 PHE 27 HE1 PHE 27 6.888 -3.652 -0.701 211 HE2 PHE 27 HE2 PHE 27 3.367 -3.016 -3.061 212 HZ PHE 27 HZ PHE 27 4.919 -4.556 -1.907 213 H SER 28 HN SER 28 5.819 2.694 1.493 214 HA SER 28 HA SER 28 6.593 5.165 -0.037 215 1HB SER 28 HB2 SER 28 5.092 4.956 2.593 216 2HB SER 28 HB1 SER 28 5.739 6.452 1.925 217 HG SER 28 HG SER 28 3.691 4.781 0.926 218 H ALA 29 HN ALA 29 8.421 6.217 0.787 219 HA ALA 29 HA ALA 29 10.110 4.529 2.511 220 1HB ALA 29 HB3 ALA 29 10.508 7.058 0.921 221 2HB ALA 29 HB2 ALA 29 11.678 6.614 2.161 222 3HB ALA 29 HB1 ALA 29 11.379 5.530 0.800 223 H THR 30 HN THR 30 10.083 4.772 4.688 224 HA THR 30 HA THR 30 8.450 6.802 5.895 225 HB THR 30 HB THR 30 8.870 4.657 7.022 226 HG1 THR 30 HG1 THR 30 10.055 6.791 8.455 227 1HG2 THR 30 HG23 THR 30 11.211 4.370 6.233 228 2HG2 THR 30 HG22 THR 30 11.715 5.647 7.337 229 3HG2 THR 30 HG21 THR 30 11.055 4.142 7.975 230 H TRP 31 HN TRP 31 11.878 6.554 5.121 231 HA TRP 31 HA TRP 31 12.674 8.878 6.675 232 1HB TRP 31 HB2 TRP 31 14.737 8.820 5.365 233 2HB TRP 31 HB1 TRP 31 14.302 7.198 5.897 234 HD1 TRP 31 HD1 TRP 31 13.866 5.438 4.132 235 HE1 TRP 31 HE1 TRP 31 13.982 5.364 1.556 236 HE3 TRP 31 HE3 TRP 31 14.151 10.420 3.149 237 HZ2 TRP 31 HZ2 TRP 31 14.131 7.203 -0.637 238 HZ3 TRP 31 HZ3 TRP 31 14.252 11.242 0.820 239 HH2 TRP 31 HH2 TRP 31 14.239 9.644 -1.075 240 H CYS 32 HN CYS 32 11.248 8.468 3.508 241 HA CYS 32 HA CYS 32 11.920 11.211 2.679 242 1HB CYS 32 HB2 CYS 32 11.597 9.123 1.153 243 2HB CYS 32 HB1 CYS 32 9.877 9.423 1.352 244 H GLY 33 HN GLY 33 10.848 12.869 3.549 245 1HA GLY 33 HA2 GLY 33 8.506 12.616 5.136 246 2HA GLY 33 HA1 GLY 33 9.152 14.134 4.528 247 HA PRO 34 HA PRO 34 6.132 14.629 1.353 248 1HB PRO 34 HB2 PRO 34 7.624 13.236 -0.822 249 2HB PRO 34 HB1 PRO 34 6.995 14.891 -0.770 250 1HG PRO 34 HG2 PRO 34 9.650 14.323 -0.545 251 2HG PRO 34 HG1 PRO 34 8.907 15.734 0.225 252 1HD PRO 34 HD2 PRO 34 9.896 13.221 1.472 253 2HD PRO 34 HD1 PRO 34 9.674 14.825 2.213 254 H ALA 35 HN ALA 35 7.589 11.378 1.198 255 HA ALA 35 HA ALA 35 5.191 10.109 0.142 256 1HB ALA 35 HB2 ALA 35 7.620 9.260 -0.032 257 2HB ALA 35 HB1 ALA 35 7.412 8.695 1.626 258 3HB ALA 35 HB3 ALA 35 6.378 8.066 0.343 259 H LYS 36 HN LYS 36 6.777 10.011 3.365 260 HA LYS 36 HA LYS 36 4.675 8.570 4.644 261 1HB LYS 36 HB2 LYS 36 6.979 8.950 5.594 262 2HB LYS 36 HB1 LYS 36 6.489 10.603 5.966 263 1HG LYS 36 HG2 LYS 36 4.537 9.651 7.262 264 2HG LYS 36 HG1 LYS 36 5.228 8.051 7.016 265 1HD LYS 36 HD2 LYS 36 6.148 8.580 9.089 266 2HD LYS 36 HD1 LYS 36 7.415 9.187 8.025 267 1HE LYS 36 HE2 LYS 36 6.918 10.886 9.691 268 2HE LYS 36 HE1 LYS 36 6.332 11.453 8.128 269 1HZ LYS 36 HZ3 LYS 36 4.324 9.931 9.386 270 2HZ LYS 36 HZ2 LYS 36 4.873 11.118 10.470 271 3HZ LYS 36 HZ1 LYS 36 4.292 11.566 8.938 272 H MET 37 HN MET 37 5.163 12.013 4.118 273 HA MET 37 HA MET 37 3.133 13.055 5.791 274 1HB MET 37 HB2 MET 37 4.902 14.370 4.590 275 2HB MET 37 HB1 MET 37 4.005 14.137 3.094 276 1HG MET 37 HG2 MET 37 2.694 15.340 5.532 277 2HG MET 37 HG1 MET 37 3.607 16.335 4.399 278 1HE MET 37 HE1 MET 37 2.712 17.371 2.439 279 2HE MET 37 HE3 MET 37 3.228 15.861 1.673 280 3HE MET 37 HE2 MET 37 1.667 16.570 1.268 281 H ILE 38 HN ILE 38 2.956 11.507 2.680 282 HA ILE 38 HA ILE 38 0.205 12.319 2.142 283 HB ILE 38 HB ILE 38 2.077 10.337 0.846 284 1HG1 ILE 38 HG12 ILE 38 0.968 12.921 -0.258 285 2HG1 ILE 38 HG11 ILE 38 2.431 12.893 0.729 286 1HG2 ILE 38 HG21 ILE 38 -0.808 10.999 0.269 287 2HG2 ILE 38 HG23 ILE 38 0.278 10.564 -1.052 288 3HG2 ILE 38 HG22 ILE 38 -0.002 9.430 0.266 289 1HD1 ILE 38 HD11 ILE 38 3.421 11.245 -0.834 290 2HD1 ILE 38 HD13 ILE 38 1.985 11.374 -1.845 291 3HD1 ILE 38 HD12 ILE 38 3.039 12.774 -1.618 292 H LYS 39 HN LYS 39 1.491 10.042 4.281 293 HA LYS 39 HA LYS 39 -0.237 7.855 3.720 294 1HB LYS 39 HB2 LYS 39 0.376 6.849 5.722 295 2HB LYS 39 HB1 LYS 39 1.800 7.761 5.252 296 1HG LYS 39 HG2 LYS 39 1.235 9.525 6.860 297 2HG LYS 39 HG1 LYS 39 -0.255 8.704 7.302 298 1HD LYS 39 HD2 LYS 39 2.590 7.808 7.820 299 2HD LYS 39 HD1 LYS 39 1.354 8.222 9.003 300 1HE LYS 39 HE2 LYS 39 0.011 6.247 7.985 301 2HE LYS 39 HE1 LYS 39 1.557 5.746 7.295 302 1HZ LYS 39 HZ3 LYS 39 1.375 6.421 10.149 303 2HZ LYS 39 HZ2 LYS 39 0.874 4.891 9.609 304 3HZ LYS 39 HZ1 LYS 39 2.474 5.401 9.358 305 HA PRO 40 HA PRO 40 -3.180 9.842 7.119 306 1HB PRO 40 HB2 PRO 40 -3.570 12.434 5.701 307 2HB PRO 40 HB1 PRO 40 -3.455 12.109 7.441 308 1HG PRO 40 HG2 PRO 40 -1.448 13.303 6.103 309 2HG PRO 40 HG1 PRO 40 -1.134 12.181 7.436 310 1HD PRO 40 HD2 PRO 40 -0.874 11.737 4.501 311 2HD PRO 40 HD1 PRO 40 0.126 11.084 5.810 312 H PHE 41 HN PHE 41 -3.367 10.766 3.647 313 HA PHE 41 HA PHE 41 -6.221 10.309 3.527 314 1HB PHE 41 HB2 PHE 41 -4.052 10.226 1.404 315 2HB PHE 41 HB1 PHE 41 -5.766 10.047 1.060 316 HD1 PHE 41 HD2 PHE 41 -3.293 12.354 2.631 317 HD2 PHE 41 HD1 PHE 41 -7.155 11.913 0.800 318 HE1 PHE 41 HE2 PHE 41 -3.570 14.821 2.623 319 HE2 PHE 41 HE1 PHE 41 -7.435 14.379 0.800 320 HZ PHE 41 HZ PHE 41 -5.643 15.830 1.709 321 H PHE 42 HN PHE 42 -3.359 8.345 2.763 322 HA PHE 42 HA PHE 42 -4.729 5.989 1.947 323 1HB PHE 42 HB2 PHE 42 -2.347 6.324 1.561 324 2HB PHE 42 HB1 PHE 42 -2.038 6.378 3.301 325 HD1 PHE 42 HD1 PHE 42 -3.207 4.209 0.528 326 HD2 PHE 42 HD2 PHE 42 -1.810 4.381 4.584 327 HE1 PHE 42 HE1 PHE 42 -3.011 1.741 0.562 328 HE2 PHE 42 HE2 PHE 42 -1.605 1.910 4.621 329 HZ PHE 42 HZ PHE 42 -2.208 0.588 2.607 330 H HIS 43 HN HIS 43 -3.365 6.792 5.137 331 HA HIS 43 HA HIS 43 -4.449 4.502 6.485 332 1HB HIS 43 HB2 HIS 43 -2.499 5.771 7.289 333 2HB HIS 43 HB1 HIS 43 -3.515 7.188 7.545 334 HD1 HIS 43 HD1 HIS 43 -2.562 3.939 9.048 335 HD2 HIS 43 HD2 HIS 43 -5.384 6.920 9.709 336 HE1 HIS 43 HE1 HIS 43 -3.578 3.464 11.320 337 H SER 44 HN SER 44 -5.598 7.860 6.126 338 HA SER 44 HA SER 44 -7.797 7.657 7.922 339 1HB SER 44 HB2 SER 44 -7.517 9.402 5.464 340 2HB SER 44 HB1 SER 44 -8.751 9.593 6.703 341 HG SER 44 HG SER 44 -6.663 9.504 8.110 342 H LEU 45 HN LEU 45 -7.518 6.888 4.470 343 HA LEU 45 HA LEU 45 -10.277 6.415 3.972 344 1HB LEU 45 HB2 LEU 45 -7.799 5.232 2.731 345 2HB LEU 45 HB1 LEU 45 -9.407 4.859 2.144 346 HG LEU 45 HG LEU 45 -8.482 7.727 2.434 347 1HD1 LEU 45 HD11 LEU 45 -8.143 5.898 0.037 348 2HD1 LEU 45 HD13 LEU 45 -7.895 7.643 0.016 349 3HD1 LEU 45 HD12 LEU 45 -6.842 6.616 0.986 350 1HD2 LEU 45 HD21 LEU 45 -10.661 6.303 0.892 351 2HD2 LEU 45 HD23 LEU 45 -10.825 7.594 2.080 352 3HD2 LEU 45 HD22 LEU 45 -10.152 7.940 0.493 353 H SER 46 HN SER 46 -7.869 4.439 5.590 354 HA SER 46 HA SER 46 -8.996 1.889 5.358 355 1HB SER 46 HB2 SER 46 -7.847 3.122 7.868 356 2HB SER 46 HB1 SER 46 -8.077 1.401 7.591 357 HG SER 46 HG SER 46 -6.777 2.020 5.544 358 H GLU 47 HN GLU 47 -10.042 4.557 7.452 359 HA GLU 47 HA GLU 47 -12.169 2.886 8.616 360 1HB GLU 47 HB2 GLU 47 -11.501 5.843 8.841 361 2HB GLU 47 HB1 GLU 47 -12.879 5.100 9.652 362 1HG GLU 47 HG2 GLU 47 -11.115 5.102 11.262 363 2HG GLU 47 HG1 GLU 47 -11.204 3.443 10.668 364 H LYS 48 HN LYS 48 -11.764 4.736 5.741 365 HA LYS 48 HA LYS 48 -14.624 5.397 5.477 366 1HB LYS 48 HB2 LYS 48 -12.840 6.809 4.405 367 2HB LYS 48 HB1 LYS 48 -12.488 5.460 3.323 368 1HG LYS 48 HG2 LYS 48 -14.877 5.465 2.591 369 2HG LYS 48 HG1 LYS 48 -15.153 6.887 3.591 370 1HD LYS 48 HD2 LYS 48 -12.956 6.901 1.526 371 2HD LYS 48 HD1 LYS 48 -14.619 7.186 1.034 372 1HE LYS 48 HE2 LYS 48 -13.662 9.342 1.447 373 2HE LYS 48 HE1 LYS 48 -14.722 9.007 2.811 374 1HZ LYS 48 HZ3 LYS 48 -12.105 7.999 3.268 375 2HZ LYS 48 HZ2 LYS 48 -12.057 9.658 2.911 376 3HZ LYS 48 HZ1 LYS 48 -13.010 9.091 4.197 377 H TYR 49 HN TYR 49 -12.311 2.996 4.355 378 HA TYR 49 HA TYR 49 -14.617 1.325 3.364 379 1HB TYR 49 HB2 TYR 49 -11.770 1.421 2.273 380 2HB TYR 49 HB1 TYR 49 -13.025 0.296 1.752 381 HD1 TYR 49 HD2 TYR 49 -15.221 1.283 0.872 382 HD2 TYR 49 HD1 TYR 49 -11.602 3.558 1.260 383 HE1 TYR 49 HE2 TYR 49 -16.112 2.965 -0.715 384 HE2 TYR 49 HE1 TYR 49 -12.497 5.245 -0.328 385 HH TYR 49 HH TYR 49 -15.714 5.443 -1.164 386 H SER 50 HN SER 50 -14.367 0.966 5.822 387 HA SER 50 HA SER 50 -12.148 -0.480 6.875 388 1HB SER 50 HB2 SER 50 -13.590 -0.963 8.730 389 2HB SER 50 HB1 SER 50 -14.043 0.636 8.163 390 HG SER 50 HG SER 50 -15.940 -0.406 8.278 391 H ASN 51 HN ASN 51 -14.396 -1.294 4.536 392 HA ASN 51 HA ASN 51 -14.407 -4.190 5.114 393 1HB ASN 51 HB2 ASN 51 -16.408 -2.902 4.167 394 2HB ASN 51 HB1 ASN 51 -15.497 -2.791 2.662 395 1HD2 ASN 51 HD22 ASN 51 -16.429 -6.025 1.671 396 2HD2 ASN 51 HD21 ASN 51 -15.899 -4.474 1.233 397 H VAL 52 HN VAL 52 -12.150 -2.194 4.068 398 HA VAL 52 HA VAL 52 -11.010 -4.149 2.117 399 HB VAL 52 HB VAL 52 -10.929 -1.116 2.022 400 1HG1 VAL 52 HG11 VAL 52 -9.091 -3.175 0.829 401 2HG1 VAL 52 HG13 VAL 52 -9.481 -1.743 -0.127 402 3HG1 VAL 52 HG12 VAL 52 -8.720 -1.571 1.452 403 1HG2 VAL 52 HG22 VAL 52 -11.932 -3.293 0.165 404 2HG2 VAL 52 HG21 VAL 52 -12.863 -1.990 0.905 405 3HG2 VAL 52 HG23 VAL 52 -11.690 -1.629 -0.360 406 H ILE 53 HN ILE 53 -8.723 -4.479 2.372 407 HA ILE 53 HA ILE 53 -7.743 -3.692 5.089 408 HB ILE 53 HB ILE 53 -6.511 -5.667 3.154 409 1HG1 ILE 53 HG12 ILE 53 -8.767 -6.444 3.531 410 2HG1 ILE 53 HG11 ILE 53 -7.705 -7.401 4.560 411 1HG2 ILE 53 HG21 ILE 53 -5.251 -4.712 5.197 412 2HG2 ILE 53 HG23 ILE 53 -6.386 -5.637 6.173 413 3HG2 ILE 53 HG22 ILE 53 -5.318 -6.465 5.043 414 1HD1 ILE 53 HD13 ILE 53 -8.224 -5.667 6.401 415 2HD1 ILE 53 HD12 ILE 53 -9.547 -5.146 5.358 416 3HD1 ILE 53 HD11 ILE 53 -9.510 -6.797 5.971 417 H PHE 54 HN PHE 54 -6.318 -1.994 5.197 418 HA PHE 54 HA PHE 54 -4.742 -1.273 2.746 419 1HB PHE 54 HB2 PHE 54 -5.411 0.293 5.256 420 2HB PHE 54 HB1 PHE 54 -4.343 0.874 3.984 421 HD1 PHE 54 HD1 PHE 54 -7.812 -0.371 4.604 422 HD2 PHE 54 HD2 PHE 54 -5.224 1.927 2.065 423 HE1 PHE 54 HE1 PHE 54 -9.779 0.452 3.333 424 HE2 PHE 54 HE2 PHE 54 -7.186 2.740 0.794 425 HZ PHE 54 HZ PHE 54 -9.463 1.998 1.427 426 H LEU 55 HN LEU 55 -2.574 -1.805 2.762 427 HA LEU 55 HA LEU 55 -1.247 -2.305 5.410 428 1HB LEU 55 HB2 LEU 55 -0.681 -3.468 2.676 429 2HB LEU 55 HB1 LEU 55 0.507 -3.533 3.975 430 HG LEU 55 HG LEU 55 -0.914 -4.887 5.332 431 1HD1 LEU 55 HD13 LEU 55 -3.083 -4.114 3.394 432 2HD1 LEU 55 HD12 LEU 55 -3.228 -5.557 4.397 433 3HD1 LEU 55 HD11 LEU 55 -3.057 -3.979 5.153 434 1HD2 LEU 55 HD22 LEU 55 0.223 -6.015 3.413 435 2HD2 LEU 55 HD21 LEU 55 -1.234 -6.850 3.952 436 3HD2 LEU 55 HD23 LEU 55 -1.273 -5.865 2.490 437 H GLU 56 HN GLU 56 0.689 -1.307 5.857 438 HA GLU 56 HA GLU 56 1.596 0.804 3.924 439 1HB GLU 56 HB2 GLU 56 0.695 1.595 6.180 440 2HB GLU 56 HB1 GLU 56 2.072 0.774 6.920 441 1HG GLU 56 HG2 GLU 56 3.590 2.097 5.421 442 2HG GLU 56 HG1 GLU 56 2.179 3.001 4.867 443 H VAL 57 HN VAL 57 3.654 0.510 3.154 444 HA VAL 57 HA VAL 57 5.389 -1.501 4.569 445 HB VAL 57 HB VAL 57 5.065 -1.095 1.585 446 1HG1 VAL 57 HG13 VAL 57 6.642 -3.073 3.252 447 2HG1 VAL 57 HG12 VAL 57 6.410 -3.207 1.514 448 3HG1 VAL 57 HG11 VAL 57 7.313 -1.847 2.176 449 1HG2 VAL 57 HG23 VAL 57 3.107 -2.146 2.742 450 2HG2 VAL 57 HG22 VAL 57 3.924 -3.246 1.632 451 3HG2 VAL 57 HG21 VAL 57 4.191 -3.386 3.369 452 H ASP 58 HN ASP 58 7.503 -1.027 4.775 453 HA ASP 58 HA ASP 58 8.461 1.673 3.899 454 1HB ASP 58 HB2 ASP 58 8.523 0.972 6.342 455 2HB ASP 58 HB1 ASP 58 9.703 -0.260 5.872 456 H VAL 59 HN VAL 59 9.708 1.602 2.067 457 HA VAL 59 HA VAL 59 10.785 -0.876 1.013 458 HB VAL 59 HB VAL 59 11.916 0.600 -0.622 459 1HG1 VAL 59 HG11 VAL 59 9.519 0.031 -0.928 460 2HG1 VAL 59 HG13 VAL 59 9.072 1.472 -0.015 461 3HG1 VAL 59 HG12 VAL 59 9.892 1.630 -1.565 462 1HG2 VAL 59 HG23 VAL 59 10.992 2.735 1.304 463 2HG2 VAL 59 HG22 VAL 59 12.620 2.444 0.697 464 3HG2 VAL 59 HG21 VAL 59 11.386 3.105 -0.375 465 H ASP 60 HN ASP 60 11.830 1.354 3.401 466 HA ASP 60 HA ASP 60 14.694 0.624 3.075 467 1HB ASP 60 HB2 ASP 60 13.149 2.617 4.719 468 2HB ASP 60 HB1 ASP 60 14.813 2.237 5.121 469 H ASP 61 HN ASP 61 12.073 0.269 5.488 470 HA ASP 61 HA ASP 61 13.850 -1.511 7.105 471 1HB ASP 61 HB2 ASP 61 11.084 -0.383 7.682 472 2HB ASP 61 HB1 ASP 61 12.000 -1.414 8.777 473 H ALA 62 HN ALA 62 11.316 -1.560 4.821 474 HA ALA 62 HA ALA 62 10.948 -4.503 5.236 475 1HB ALA 62 HB1 ALA 62 8.931 -2.800 5.635 476 2HB ALA 62 HB3 ALA 62 8.825 -2.872 3.878 477 3HB ALA 62 HB2 ALA 62 8.662 -4.346 4.829 478 H GLN 63 HN GLN 63 12.982 -3.279 3.772 479 HA GLN 63 HA GLN 63 12.479 -2.897 1.011 480 1HB GLN 63 HB2 GLN 63 14.874 -3.187 0.727 481 2HB GLN 63 HB1 GLN 63 14.596 -2.310 2.225 482 1HG GLN 63 HG2 GLN 63 15.126 -5.285 2.034 483 2HG GLN 63 HG1 GLN 63 16.288 -4.064 2.522 484 1HE2 GLN 63 HE22 GLN 63 13.581 -5.406 5.211 485 2HE2 GLN 63 HE21 GLN 63 13.634 -6.021 3.630 486 H ASP 64 HN ASP 64 12.623 -5.824 2.893 487 HA ASP 64 HA ASP 64 13.255 -7.644 0.791 488 1HB ASP 64 HB2 ASP 64 12.020 -9.317 2.249 489 2HB ASP 64 HB1 ASP 64 13.320 -8.448 3.058 490 H VAL 65 HN VAL 65 10.236 -6.155 1.839 491 HA VAL 65 HA VAL 65 8.554 -7.731 0.083 492 HB VAL 65 HB VAL 65 7.958 -4.959 1.155 493 1HG1 VAL 65 HG11 VAL 65 6.427 -5.942 -0.531 494 2HG1 VAL 65 HG13 VAL 65 6.189 -7.333 0.526 495 3HG1 VAL 65 HG12 VAL 65 5.651 -5.733 1.040 496 1HG2 VAL 65 HG23 VAL 65 8.030 -7.615 2.557 497 2HG2 VAL 65 HG22 VAL 65 8.531 -6.036 3.146 498 3HG2 VAL 65 HG21 VAL 65 6.819 -6.429 3.028 499 H ALA 66 HN ALA 66 9.989 -4.493 -0.060 500 HA ALA 66 HA ALA 66 8.835 -3.841 -2.611 501 1HB ALA 66 HB3 ALA 66 9.763 -2.287 -0.754 502 2HB ALA 66 HB2 ALA 66 11.326 -2.552 -1.527 503 3HB ALA 66 HB1 ALA 66 10.000 -1.826 -2.437 504 H SER 67 HN SER 67 12.005 -5.146 -1.658 505 HA SER 67 HA SER 67 13.263 -4.915 -4.201 506 1HB SER 67 HB2 SER 67 14.780 -6.683 -3.408 507 2HB SER 67 HB1 SER 67 14.471 -5.511 -2.131 508 HG SER 67 HG SER 67 13.050 -7.948 -2.480 509 H GLU 68 HN GLU 68 11.156 -7.444 -2.889 510 HA GLU 68 HA GLU 68 11.464 -9.276 -5.068 511 1HB GLU 68 HB2 GLU 68 10.406 -9.765 -2.815 512 2HB GLU 68 HB1 GLU 68 8.985 -8.885 -3.367 513 1HG GLU 68 HG2 GLU 68 10.153 -11.194 -4.934 514 2HG GLU 68 HG1 GLU 68 8.942 -11.431 -3.675 515 H ALA 69 HN ALA 69 9.337 -6.498 -4.538 516 HA ALA 69 HA ALA 69 7.869 -6.971 -7.036 517 1HB ALA 69 HB1 ALA 69 7.818 -4.629 -5.117 518 2HB ALA 69 HB3 ALA 69 6.720 -4.851 -6.477 519 3HB ALA 69 HB2 ALA 69 6.689 -5.986 -5.127 520 H GLU 70 HN GLU 70 10.907 -5.735 -6.457 521 HA GLU 70 HA GLU 70 12.308 -4.324 -7.715 522 1HB GLU 70 HB2 GLU 70 10.279 -4.887 -9.896 523 2HB GLU 70 HB1 GLU 70 11.880 -4.202 -10.135 524 1HG GLU 70 HG2 GLU 70 11.331 -6.930 -8.945 525 2HG GLU 70 HG1 GLU 70 11.814 -6.627 -10.613 526 H VAL 71 HN VAL 71 10.659 -2.846 -6.089 527 HA VAL 71 HA VAL 71 8.995 -1.006 -7.529 528 HB VAL 71 HB VAL 71 10.501 -0.448 -4.956 529 1HG1 VAL 71 HG11 VAL 71 8.011 0.685 -6.265 530 2HG1 VAL 71 HG13 VAL 71 8.427 0.984 -4.578 531 3HG1 VAL 71 HG12 VAL 71 9.500 1.537 -5.869 532 1HG2 VAL 71 HG22 VAL 71 7.921 -1.950 -5.501 533 2HG2 VAL 71 HG21 VAL 71 9.320 -2.497 -4.580 534 3HG2 VAL 71 HG23 VAL 71 8.273 -1.238 -3.928 535 H LYS 72 HN LYS 72 9.567 0.707 -8.765 536 HA LYS 72 HA LYS 72 12.455 1.379 -8.947 537 1HB LYS 72 HB2 LYS 72 10.167 1.967 -10.835 538 2HB LYS 72 HB1 LYS 72 11.860 2.362 -11.129 539 1HG LYS 72 HG2 LYS 72 12.274 -0.203 -10.696 540 2HG LYS 72 HG1 LYS 72 10.549 -0.363 -11.025 541 1HD LYS 72 HD2 LYS 72 10.890 0.817 -13.198 542 2HD LYS 72 HD1 LYS 72 12.621 0.866 -12.871 543 1HE LYS 72 HE2 LYS 72 12.662 -1.611 -12.758 544 2HE LYS 72 HE1 LYS 72 10.937 -1.646 -13.124 545 1HZ LYS 72 HZ2 LYS 72 11.412 -0.497 -15.213 546 2HZ LYS 72 HZ1 LYS 72 13.074 -0.535 -14.863 547 3HZ LYS 72 HZ3 LYS 72 12.231 -1.984 -15.120 548 H ALA 73 HN ALA 73 9.530 2.636 -7.671 549 HA ALA 73 HA ALA 73 10.909 5.072 -6.886 550 1HB ALA 73 HB2 ALA 73 10.100 5.479 -9.287 551 2HB ALA 73 HB1 ALA 73 8.473 5.504 -8.603 552 3HB ALA 73 HB3 ALA 73 9.674 6.684 -8.074 553 H THR 74 HN THR 74 9.667 6.352 -5.348 554 HA THR 74 HA THR 74 7.185 5.025 -4.315 555 HB THR 74 HB THR 74 7.969 5.369 -2.022 556 HG1 THR 74 HG1 THR 74 9.351 6.847 -1.655 557 1HG2 THR 74 HG22 THR 74 9.930 4.039 -3.865 558 2HG2 THR 74 HG21 THR 74 10.212 4.098 -2.132 559 3HG2 THR 74 HG23 THR 74 8.774 3.299 -2.762 560 HA PRO 75 HA PRO 75 5.818 5.661 -2.436 561 1HB PRO 75 HB2 PRO 75 3.255 6.700 -2.493 562 2HB PRO 75 HB1 PRO 75 4.477 7.121 -1.286 563 1HG PRO 75 HG2 PRO 75 3.492 8.719 -3.592 564 2HG PRO 75 HG1 PRO 75 4.172 9.266 -2.052 565 1HD PRO 75 HD2 PRO 75 5.534 9.201 -4.534 566 2HD PRO 75 HD1 PRO 75 6.301 9.396 -2.931 567 H THR 76 HN THR 76 4.734 3.823 -3.173 568 HA THR 76 HA THR 76 3.392 3.961 -5.849 569 HB THR 76 HB THR 76 5.258 1.751 -4.932 570 HG1 THR 76 HG1 THR 76 6.129 3.836 -5.695 571 1HG2 THR 76 HG21 THR 76 3.549 2.142 -7.390 572 2HG2 THR 76 HG23 THR 76 4.898 1.010 -7.345 573 3HG2 THR 76 HG22 THR 76 3.521 0.785 -6.266 574 H PHE 77 HN PHE 77 1.493 2.905 -5.918 575 HA PHE 77 HA PHE 77 0.634 1.459 -3.433 576 1HB PHE 77 HB2 PHE 77 -1.001 2.840 -5.583 577 2HB PHE 77 HB1 PHE 77 -1.645 2.081 -4.125 578 HD1 PHE 77 HD1 PHE 77 -1.290 3.074 -1.914 579 HD2 PHE 77 HD2 PHE 77 0.272 4.927 -5.462 580 HE1 PHE 77 HE1 PHE 77 -0.856 5.159 -0.636 581 HE2 PHE 77 HE2 PHE 77 0.707 7.012 -4.183 582 HZ PHE 77 HZ PHE 77 0.142 7.132 -1.767 583 H GLN 78 HN GLN 78 0.193 -0.704 -3.633 584 HA GLN 78 HA GLN 78 -0.216 -1.824 -6.393 585 1HB GLN 78 HB2 GLN 78 1.282 -3.003 -4.040 586 2HB GLN 78 HB1 GLN 78 0.830 -3.929 -5.471 587 1HG GLN 78 HG2 GLN 78 2.069 -2.284 -6.877 588 2HG GLN 78 HG1 GLN 78 2.590 -1.461 -5.411 589 1HE2 GLN 78 HE22 GLN 78 5.455 -3.554 -5.682 590 2HE2 GLN 78 HE21 GLN 78 4.860 -1.979 -5.894 591 H PHE 79 HN PHE 79 -1.950 -3.129 -6.634 592 HA PHE 79 HA PHE 79 -3.706 -3.501 -4.229 593 1HB PHE 79 HB2 PHE 79 -4.327 -3.523 -7.194 594 2HB PHE 79 HB1 PHE 79 -5.508 -3.837 -5.916 595 HD1 PHE 79 HD2 PHE 79 -3.104 -1.349 -7.234 596 HD2 PHE 79 HD1 PHE 79 -6.441 -2.057 -4.638 597 HE1 PHE 79 HE2 PHE 79 -3.313 1.078 -6.854 598 HE2 PHE 79 HE1 PHE 79 -6.652 0.381 -4.241 599 HZ PHE 79 HZ PHE 79 -5.095 1.953 -5.353 600 H PHE 80 HN PHE 80 -4.181 -5.474 -3.514 601 HA PHE 80 HA PHE 80 -3.456 -7.835 -5.185 602 1HB PHE 80 HB2 PHE 80 -2.937 -7.366 -2.251 603 2HB PHE 80 HB1 PHE 80 -2.876 -8.965 -2.985 604 HD1 PHE 80 HD1 PHE 80 -1.125 -9.564 -4.574 605 HD2 PHE 80 HD2 PHE 80 -1.234 -5.652 -2.781 606 HE1 PHE 80 HE1 PHE 80 1.215 -9.175 -5.277 607 HE2 PHE 80 HE2 PHE 80 1.110 -5.270 -3.492 608 HZ PHE 80 HZ PHE 80 2.338 -7.032 -4.731 609 H LYS 81 HN LYS 81 -4.905 -9.567 -5.094 610 HA LYS 81 HA LYS 81 -7.193 -9.389 -3.199 611 1HB LYS 81 HB2 LYS 81 -7.758 -8.167 -5.390 612 2HB LYS 81 HB1 LYS 81 -7.648 -9.743 -6.175 613 1HG LYS 81 HG2 LYS 81 -9.302 -10.558 -4.378 614 2HG LYS 81 HG1 LYS 81 -9.577 -8.857 -4.026 615 1HD LYS 81 HD2 LYS 81 -9.851 -10.022 -6.813 616 2HD LYS 81 HD1 LYS 81 -11.201 -9.891 -5.689 617 1HE LYS 81 HE2 LYS 81 -10.662 -7.415 -5.493 618 2HE LYS 81 HE1 LYS 81 -9.543 -7.637 -6.841 619 1HZ LYS 81 HZ3 LYS 81 -12.304 -8.607 -7.087 620 2HZ LYS 81 HZ2 LYS 81 -11.991 -6.948 -7.276 621 3HZ LYS 81 HZ1 LYS 81 -11.238 -8.079 -8.297 622 H LYS 82 HN LYS 82 -7.537 -11.412 -2.426 623 HA LYS 82 HA LYS 82 -7.406 -13.743 -2.187 624 1HB LYS 82 HB2 LYS 82 -7.440 -13.686 -5.232 625 2HB LYS 82 HB1 LYS 82 -7.591 -15.132 -4.243 626 1HG LYS 82 HG2 LYS 82 -9.570 -13.887 -3.107 627 2HG LYS 82 HG1 LYS 82 -9.525 -12.842 -4.524 628 1HD LYS 82 HD2 LYS 82 -9.659 -14.926 -5.951 629 2HD LYS 82 HD1 LYS 82 -9.972 -15.833 -4.468 630 1HE LYS 82 HE2 LYS 82 -11.907 -14.351 -3.996 631 2HE LYS 82 HE1 LYS 82 -11.617 -13.517 -5.522 632 1HZ LYS 82 HZ2 LYS 82 -12.060 -16.442 -5.364 633 2HZ LYS 82 HZ1 LYS 82 -13.334 -15.335 -5.557 634 3HZ LYS 82 HZ3 LYS 82 -12.123 -15.446 -6.739 635 H GLY 83 HN GLY 83 -4.992 -12.031 -2.410 636 1HA GLY 83 HA2 GLY 83 -2.694 -12.474 -2.223 637 2HA GLY 83 HA1 GLY 83 -3.028 -14.170 -2.573 638 H GLN 84 HN GLN 84 -4.266 -11.750 -4.761 639 HA GLN 84 HA GLN 84 -2.060 -12.352 -6.689 640 1HB GLN 84 HB2 GLN 84 -5.036 -12.243 -7.238 641 2HB GLN 84 HB1 GLN 84 -3.811 -12.283 -8.499 642 1HG GLN 84 HG2 GLN 84 -4.007 -14.399 -6.342 643 2HG GLN 84 HG1 GLN 84 -4.827 -14.539 -7.896 644 1HE2 GLN 84 HE22 GLN 84 -1.031 -14.048 -8.954 645 2HE2 GLN 84 HE21 GLN 84 -2.076 -12.784 -8.502 646 H LYS 85 HN LYS 85 -1.261 -10.603 -7.826 647 HA LYS 85 HA LYS 85 -2.149 -7.919 -7.030 648 1HB LYS 85 HB2 LYS 85 0.239 -8.476 -7.342 649 2HB LYS 85 HB1 LYS 85 -0.059 -8.758 -9.055 650 1HG LYS 85 HG2 LYS 85 -0.888 -6.385 -9.230 651 2HG LYS 85 HG1 LYS 85 -0.391 -6.136 -7.560 652 1HD LYS 85 HD2 LYS 85 1.469 -7.068 -9.764 653 2HD LYS 85 HD1 LYS 85 1.314 -5.389 -9.258 654 1HE LYS 85 HE2 LYS 85 3.156 -6.131 -8.013 655 2HE LYS 85 HE1 LYS 85 1.828 -6.316 -6.873 656 1HZ LYS 85 HZ3 LYS 85 2.065 -8.625 -8.486 657 2HZ LYS 85 HZ2 LYS 85 3.563 -8.274 -7.766 658 3HZ LYS 85 HZ1 LYS 85 2.181 -8.488 -6.800 659 H VAL 86 HN VAL 86 -3.638 -6.733 -8.121 660 HA VAL 86 HA VAL 86 -4.226 -7.451 -10.977 661 HB VAL 86 HB VAL 86 -6.575 -6.742 -10.498 662 1HG1 VAL 86 HG11 VAL 86 -5.656 -9.161 -10.279 663 2HG1 VAL 86 HG13 VAL 86 -5.772 -8.900 -8.538 664 3HG1 VAL 86 HG12 VAL 86 -7.218 -8.809 -9.544 665 1HG2 VAL 86 HG23 VAL 86 -5.563 -6.693 -7.634 666 2HG2 VAL 86 HG22 VAL 86 -6.077 -5.288 -8.568 667 3HG2 VAL 86 HG21 VAL 86 -7.250 -6.527 -8.124 668 H GLY 87 HN GLY 87 -2.719 -5.124 -9.245 669 1HA GLY 87 HA2 GLY 87 -2.962 -3.164 -11.312 670 2HA GLY 87 HA1 GLY 87 -4.050 -2.712 -10.005 671 H GLU 88 HN GLU 88 -1.782 -1.229 -10.901 672 HA GLU 88 HA GLU 88 -0.514 -0.695 -8.368 673 1HB GLU 88 HB2 GLU 88 0.906 -2.555 -8.894 674 2HB GLU 88 HB1 GLU 88 1.104 -2.013 -10.553 675 1HG GLU 88 HG2 GLU 88 1.984 -0.280 -8.240 676 2HG GLU 88 HG1 GLU 88 3.032 -1.554 -8.865 677 H PHE 89 HN PHE 89 0.575 1.332 -8.394 678 HA PHE 89 HA PHE 89 1.141 2.659 -10.910 679 1HB PHE 89 HB2 PHE 89 -0.513 4.375 -10.911 680 2HB PHE 89 HB1 PHE 89 -1.377 2.854 -10.747 681 HD1 PHE 89 HD1 PHE 89 -0.054 5.758 -8.862 682 HD2 PHE 89 HD2 PHE 89 -2.755 2.423 -8.830 683 HE1 PHE 89 HE1 PHE 89 -1.127 6.651 -6.810 684 HE2 PHE 89 HE2 PHE 89 -3.826 3.315 -6.772 685 HZ PHE 89 HZ PHE 89 -3.017 5.434 -5.772 686 H SER 90 HN SER 90 2.032 4.850 -10.556 687 HA SER 90 HA SER 90 2.998 5.254 -7.743 688 1HB SER 90 HB2 SER 90 5.117 6.070 -8.691 689 2HB SER 90 HB1 SER 90 4.820 4.395 -9.171 690 HG SER 90 HG SER 90 3.946 5.267 -11.141 691 H GLY 91 HN GLY 91 3.650 7.482 -7.296 692 1HA GLY 91 HA2 GLY 91 3.608 9.853 -8.124 693 2HA GLY 91 HA1 GLY 91 2.066 9.483 -8.889 694 H ALA 92 HN ALA 92 2.988 11.333 -6.572 695 HA ALA 92 HA ALA 92 1.580 10.308 -4.247 696 1HB ALA 92 HB2 ALA 92 2.815 12.937 -5.038 697 2HB ALA 92 HB1 ALA 92 1.815 12.845 -3.592 698 3HB ALA 92 HB3 ALA 92 3.272 11.854 -3.726 699 H ASN 93 HN ASN 93 -0.430 9.847 -5.753 700 HA ASN 93 HA ASN 93 -2.229 12.254 -5.675 701 1HB ASN 93 HB2 ASN 93 -1.759 11.412 -7.998 702 2HB ASN 93 HB1 ASN 93 -2.509 9.881 -7.531 703 1HD2 ASN 93 HD22 ASN 93 -4.849 13.015 -8.472 704 2HD2 ASN 93 HD21 ASN 93 -3.167 13.036 -8.683 705 H LYS 94 HN LYS 94 -3.169 11.901 -3.706 706 HA LYS 94 HA LYS 94 -3.841 9.307 -2.679 707 1HB LYS 94 HB2 LYS 94 -5.104 10.630 -0.994 708 2HB LYS 94 HB1 LYS 94 -3.428 11.118 -1.182 709 1HG LYS 94 HG2 LYS 94 -5.282 12.574 -2.978 710 2HG LYS 94 HG1 LYS 94 -5.632 12.836 -1.279 711 1HD LYS 94 HD2 LYS 94 -3.152 13.383 -0.987 712 2HD LYS 94 HD1 LYS 94 -3.043 13.394 -2.752 713 1HE LYS 94 HE2 LYS 94 -4.887 15.078 -2.797 714 2HE LYS 94 HE1 LYS 94 -4.848 15.116 -1.035 715 1HZ LYS 94 HZ3 LYS 94 -2.236 15.436 -2.023 716 2HZ LYS 94 HZ2 LYS 94 -3.251 16.546 -2.814 717 3HZ LYS 94 HZ1 LYS 94 -3.164 16.529 -1.117 718 H GLU 95 HN GLU 95 -5.775 11.695 -4.495 719 HA GLU 95 HA GLU 95 -8.327 10.483 -4.028 720 1HB GLU 95 HB2 GLU 95 -7.348 12.058 -6.428 721 2HB GLU 95 HB1 GLU 95 -9.033 11.716 -6.054 722 1HG GLU 95 HG2 GLU 95 -7.171 13.191 -4.177 723 2HG GLU 95 HG1 GLU 95 -8.255 13.996 -5.309 724 H LYS 96 HN LYS 96 -5.717 9.765 -6.220 725 HA LYS 96 HA LYS 96 -7.037 8.125 -8.129 726 1HB LYS 96 HB2 LYS 96 -4.652 8.988 -8.167 727 2HB LYS 96 HB1 LYS 96 -4.247 7.729 -7.022 728 1HG LYS 96 HG2 LYS 96 -4.666 6.005 -8.560 729 2HG LYS 96 HG1 LYS 96 -5.593 7.052 -9.635 730 1HD LYS 96 HD2 LYS 96 -2.730 7.828 -9.122 731 2HD LYS 96 HD1 LYS 96 -3.002 6.403 -10.124 732 1HE LYS 96 HE2 LYS 96 -2.849 8.416 -11.521 733 2HE LYS 96 HE1 LYS 96 -4.469 7.726 -11.613 734 1HZ LYS 96 HZ1 LYS 96 -3.850 9.799 -9.618 735 2HZ LYS 96 HZ3 LYS 96 -4.192 10.242 -11.218 736 3HZ LYS 96 HZ2 LYS 96 -5.347 9.390 -10.308 737 H LEU 97 HN LEU 97 -5.698 7.434 -4.944 738 HA LEU 97 HA LEU 97 -5.933 4.612 -4.949 739 1HB LEU 97 HB2 LEU 97 -6.280 6.671 -2.757 740 2HB LEU 97 HB1 LEU 97 -6.320 4.946 -2.431 741 HG LEU 97 HG LEU 97 -4.005 6.234 -3.865 742 1HD1 LEU 97 HD13 LEU 97 -4.373 7.324 -1.634 743 2HD1 LEU 97 HD12 LEU 97 -4.230 5.741 -0.884 744 3HD1 LEU 97 HD11 LEU 97 -2.853 6.441 -1.731 745 1HD2 LEU 97 HD23 LEU 97 -4.690 3.538 -3.353 746 2HD2 LEU 97 HD22 LEU 97 -3.109 4.138 -3.831 747 3HD2 LEU 97 HD21 LEU 97 -3.482 3.915 -2.127 748 H GLU 98 HN GLU 98 -8.259 7.153 -4.240 749 HA GLU 98 HA GLU 98 -10.361 5.457 -3.302 750 1HB GLU 98 HB2 GLU 98 -10.275 7.945 -3.042 751 2HB GLU 98 HB1 GLU 98 -10.662 8.103 -4.754 752 1HG GLU 98 HG2 GLU 98 -12.405 6.534 -2.842 753 2HG GLU 98 HG1 GLU 98 -12.633 8.259 -3.126 754 H ALA 99 HN ALA 99 -9.607 6.591 -6.595 755 HA ALA 99 HA ALA 99 -11.949 5.431 -7.787 756 1HB ALA 99 HB2 ALA 99 -9.280 6.229 -8.972 757 2HB ALA 99 HB1 ALA 99 -10.658 5.701 -9.938 758 3HB ALA 99 HB3 ALA 99 -10.772 7.168 -8.966 759 H THR 100 HN THR 100 -8.616 4.142 -7.485 760 HA THR 100 HA THR 100 -9.184 1.786 -9.011 761 HB THR 100 HB THR 100 -7.166 1.997 -6.762 762 HG1 THR 100 HG1 THR 100 -7.246 3.042 -9.358 763 1HG2 THR 100 HG23 THR 100 -7.397 0.320 -9.274 764 2HG2 THR 100 HG22 THR 100 -5.935 0.412 -8.296 765 3HG2 THR 100 HG21 THR 100 -7.419 -0.253 -7.607 766 H ILE 101 HN ILE 101 -9.459 2.495 -5.545 767 HA ILE 101 HA ILE 101 -10.097 -0.159 -4.667 768 HB ILE 101 HB ILE 101 -10.910 2.574 -3.615 769 1HG1 ILE 101 HG12 ILE 101 -8.952 0.597 -2.420 770 2HG1 ILE 101 HG11 ILE 101 -8.446 1.742 -3.661 771 1HG2 ILE 101 HG22 ILE 101 -11.346 -0.207 -2.489 772 2HG2 ILE 101 HG21 ILE 101 -11.357 1.236 -1.474 773 3HG2 ILE 101 HG23 ILE 101 -12.551 1.052 -2.759 774 1HD1 ILE 101 HD12 ILE 101 -9.292 3.608 -2.252 775 2HD1 ILE 101 HD11 ILE 101 -9.703 2.442 -0.995 776 3HD1 ILE 101 HD13 ILE 101 -8.017 2.691 -1.450 777 H ASN 102 HN ASN 102 -12.212 2.549 -5.616 778 HA ASN 102 HA ASN 102 -14.687 1.146 -5.417 779 1HB ASN 102 HB2 ASN 102 -14.455 3.628 -5.703 780 2HB ASN 102 HB1 ASN 102 -13.944 3.351 -7.369 781 1HD2 ASN 102 HD22 ASN 102 -17.841 3.532 -6.587 782 2HD2 ASN 102 HD21 ASN 102 -16.627 4.105 -5.548 783 H GLU 103 HN GLU 103 -12.246 1.371 -7.909 784 HA GLU 103 HA GLU 103 -13.737 0.137 -10.022 785 1HB GLU 103 HB2 GLU 103 -11.571 1.479 -10.199 786 2HB GLU 103 HB1 GLU 103 -10.737 0.043 -9.618 787 1HG GLU 103 HG2 GLU 103 -12.559 -0.009 -12.036 788 2HG GLU 103 HG1 GLU 103 -10.825 0.287 -12.151 789 H LEU 104 HN LEU 104 -11.607 -1.168 -7.480 790 HA LEU 104 HA LEU 104 -12.136 -3.939 -8.463 791 1HB LEU 104 HB2 LEU 104 -10.172 -2.895 -6.409 792 2HB LEU 104 HB1 LEU 104 -10.347 -4.589 -6.848 793 HG LEU 104 HG LEU 104 -9.649 -2.391 -8.817 794 1HD1 LEU 104 HD11 LEU 104 -7.872 -4.372 -7.370 795 2HD1 LEU 104 HD13 LEU 104 -7.347 -3.307 -8.674 796 3HD1 LEU 104 HD12 LEU 104 -7.885 -2.624 -7.139 797 1HD2 LEU 104 HD21 LEU 104 -9.858 -5.407 -8.961 798 2HD2 LEU 104 HD23 LEU 104 -10.509 -4.208 -10.076 799 3HD2 LEU 104 HD22 LEU 104 -8.780 -4.540 -10.053 800 H VAL 105 HN VAL 105 -13.569 -1.856 -6.273 801 HA VAL 105 HA VAL 105 -13.823 -3.598 -3.994 802 HB VAL 105 HB VAL 105 -14.365 -1.098 -4.064 803 1HG1 VAL 105 HG11 VAL 105 -15.892 -1.474 -6.132 804 2HG1 VAL 105 HG13 VAL 105 -17.102 -1.993 -4.964 805 3HG1 VAL 105 HG12 VAL 105 -16.448 -0.356 -4.888 806 1HG2 VAL 105 HG23 VAL 105 -16.420 -3.006 -2.903 807 2HG2 VAL 105 HG22 VAL 105 -14.909 -2.524 -2.132 808 3HG2 VAL 105 HG21 VAL 105 -16.182 -1.333 -2.396 809 HA PRO 59 HA PRO 106 14.431 15.509 -13.629 810 1HB PRO 59 HB2 PRO 106 16.912 15.049 -12.004 811 2HB PRO 59 HB1 PRO 106 16.485 14.426 -13.612 812 1HG PRO 59 HG2 PRO 106 18.235 16.425 -13.312 813 2HG PRO 59 HG1 PRO 106 17.108 16.373 -14.682 814 1HD PRO 59 HD2 PRO 106 17.045 18.126 -12.263 815 2HD PRO 59 HD1 PRO 106 16.439 18.444 -13.903 816 H ALA 60 HN ALA 107 15.168 16.649 -10.372 817 HA ALA 60 HA ALA 107 14.009 14.247 -9.112 818 1HB ALA 60 HB1 ALA 107 15.005 16.861 -7.940 819 2HB ALA 60 HB3 ALA 107 14.480 15.468 -6.994 820 3HB ALA 60 HB2 ALA 107 15.905 15.348 -8.026 821 H THR 61 HN THR 108 11.893 14.066 -8.578 822 HA THR 61 HA THR 108 10.159 16.520 -8.726 823 HB THR 61 HB THR 108 9.321 13.616 -8.976 824 HG1 THR 61 HG1 THR 108 10.537 13.951 -10.734 825 1HG2 THR 61 HG23 THR 108 7.572 15.257 -8.333 826 2HG2 THR 61 HG22 THR 108 7.961 16.207 -9.765 827 3HG2 THR 61 HG21 THR 108 7.290 14.585 -9.940 828 H LEU 62 HN LEU 109 9.203 17.140 -6.835 829 HA LEU 62 HA LEU 109 9.754 15.801 -4.354 830 1HB LEU 62 HB2 LEU 109 7.735 17.932 -5.099 831 2HB LEU 62 HB1 LEU 109 7.992 17.385 -3.445 832 HG LEU 62 HG LEU 109 10.153 18.549 -5.230 833 1HD1 LEU 62 HD11 LEU 109 8.382 20.186 -4.595 834 2HD1 LEU 62 HD13 LEU 109 8.678 19.811 -2.897 835 3HD1 LEU 62 HD12 LEU 109 9.943 20.567 -3.868 836 1HD2 LEU 62 HD21 LEU 109 10.092 17.472 -2.415 837 2HD2 LEU 62 HD23 LEU 109 11.331 17.282 -3.658 838 3HD2 LEU 62 HD22 LEU 109 11.183 18.806 -2.793 839 H LYS 63 HN LYS 110 7.106 15.615 -6.633 840 HA LYS 63 HA LYS 110 5.204 14.312 -4.940 841 1HB LYS 63 HB2 LYS 110 5.609 14.051 -7.936 842 2HB LYS 63 HB1 LYS 110 4.163 13.567 -7.057 843 1HG LYS 63 HG2 LYS 110 5.257 16.389 -7.282 844 2HG LYS 63 HG1 LYS 110 3.823 15.762 -8.091 845 1HD LYS 63 HD2 LYS 110 3.030 15.189 -5.643 846 2HD LYS 63 HD1 LYS 110 4.233 16.388 -5.172 847 1HE LYS 63 HE2 LYS 110 3.160 18.080 -6.568 848 2HE LYS 63 HE1 LYS 110 2.001 16.891 -7.162 849 1HZ LYS 63 HZ3 LYS 110 2.254 17.294 -4.269 850 2HZ LYS 63 HZ2 LYS 110 1.399 18.447 -5.180 851 3HZ LYS 63 HZ1 LYS 110 0.904 16.821 -5.179 852 H ILE 64 HN ILE 111 8.120 13.217 -6.423 853 HA ILE 64 HA ILE 111 7.534 10.393 -5.566 854 HB ILE 64 HB ILE 111 8.958 11.372 -8.063 855 1HG1 ILE 64 HG12 ILE 111 6.517 11.322 -8.254 856 2HG1 ILE 64 HG11 ILE 111 7.237 10.057 -9.241 857 1HG2 ILE 64 HG23 ILE 111 8.781 8.601 -6.865 858 2HG2 ILE 64 HG22 ILE 111 9.195 8.901 -8.553 859 3HG2 ILE 64 HG21 ILE 111 10.239 9.510 -7.272 860 1HD1 ILE 64 HD13 ILE 111 6.850 8.650 -6.946 861 2HD1 ILE 64 HD12 ILE 111 5.549 9.825 -6.798 862 3HD1 ILE 64 HD11 ILE 111 5.634 8.777 -8.211 863 H CYS 65 HN CYS 112 9.245 9.387 -4.445 864 HA CYS 65 HA CYS 112 11.634 11.084 -3.869 865 1HB CYS 65 HB2 CYS 112 10.797 8.496 -2.517 866 2HB CYS 65 HB1 CYS 112 12.071 9.585 -1.987 867 H SER 66 HN SER 113 13.516 10.577 -4.960 868 HA SER 66 HA SER 113 13.558 8.277 -6.748 869 1HB SER 66 HB2 SER 113 15.749 10.243 -6.025 870 2HB SER 66 HB1 SER 113 15.830 9.069 -7.335 871 HG SER 66 HG SER 113 13.625 10.207 -7.804 872 H TRP 67 HN TRP 114 14.735 6.388 -6.574 873 HA TRP 67 HA TRP 114 15.559 5.541 -3.908 874 1HB TRP 67 HB2 TRP 114 15.717 4.187 -6.620 875 2HB TRP 67 HB1 TRP 114 16.257 3.430 -5.121 876 HD1 TRP 67 HD1 TRP 114 13.092 5.397 -6.140 877 HE1 TRP 67 HE1 TRP 114 11.039 4.139 -5.257 878 HE3 TRP 67 HE3 TRP 114 15.360 1.376 -3.954 879 HZ2 TRP 67 HZ2 TRP 114 10.450 1.779 -3.797 880 HZ3 TRP 67 HZ3 TRP 114 14.018 -0.362 -2.828 881 HH2 TRP 67 HH2 TRP 114 11.557 -0.170 -2.764 882 H ASN 68 HN ASN 115 17.060 7.243 -6.417 883 HA ASN 68 HA ASN 115 19.690 6.254 -6.470 884 1HB ASN 68 HB2 ASN 115 18.686 9.118 -6.540 885 2HB ASN 68 HB1 ASN 115 20.362 8.664 -6.866 886 1HD2 ASN 68 HD22 ASN 115 18.129 6.599 -9.506 887 2HD2 ASN 68 HD21 ASN 115 18.169 6.226 -7.851 888 H VAL 69 HN VAL 116 17.935 7.441 -3.807 889 HA VAL 69 HA VAL 116 19.998 8.685 -2.280 890 HB VAL 69 HB VAL 116 18.612 8.030 -0.291 891 1HG1 VAL 69 HG12 VAL 116 18.153 10.056 -1.695 892 2HG1 VAL 69 HG11 VAL 116 16.999 9.098 -2.623 893 3HG1 VAL 69 HG13 VAL 116 16.711 9.409 -0.910 894 1HG2 VAL 69 HG23 VAL 116 17.849 5.830 -1.393 895 2HG2 VAL 69 HG22 VAL 116 16.606 6.755 -0.556 896 3HG2 VAL 69 HG21 VAL 116 16.711 6.811 -2.314 897 H ASP 70 HN ASP 117 21.504 7.837 -0.812 898 HA ASP 70 HA ASP 117 22.676 5.323 -1.428 899 1HB ASP 70 HB2 ASP 117 22.898 7.127 0.994 900 2HB ASP 70 HB1 ASP 117 23.856 5.655 0.822 901 H GLY 71 HN GLY 118 20.294 6.225 1.047 902 1HA GLY 71 HA2 GLY 118 18.715 4.771 2.072 903 2HA GLY 71 HA1 GLY 118 19.503 3.405 1.280 No H/Q in entry = 903 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -8.527 -1.355 7.347 2 2H MET 1 HT3 MET 1 -8.813 -2.957 7.824 3 3H MET 1 HT2 MET 1 -9.776 -1.702 8.444 4 HA MET 1 HA MET 1 -8.177 -0.962 9.883 5 1HB MET 1 HB2 MET 1 -7.591 -3.917 9.484 6 2HB MET 1 HB1 MET 1 -7.105 -2.979 10.893 7 1HG MET 1 HG2 MET 1 -9.970 -3.329 9.972 8 2HG MET 1 HG1 MET 1 -9.221 -4.255 11.269 9 1HE MET 1 HE2 MET 1 -8.757 -3.618 13.450 10 2HE MET 1 HE1 MET 1 -7.555 -2.377 13.102 11 3HE MET 1 HE3 MET 1 -8.895 -2.033 14.202 12 H VAL 2 HN VAL 2 -5.877 -0.668 10.403 13 HA VAL 2 HA VAL 2 -4.203 -0.593 7.928 14 HB VAL 2 HB VAL 2 -3.916 0.749 10.634 15 1HG1 VAL 2 HG13 VAL 2 -2.151 0.713 8.175 16 2HG1 VAL 2 HG12 VAL 2 -2.090 2.028 9.349 17 3HG1 VAL 2 HG11 VAL 2 -1.694 0.381 9.845 18 1HG2 VAL 2 HG21 VAL 2 -5.701 1.592 9.079 19 2HG2 VAL 2 HG23 VAL 2 -4.434 2.776 9.393 20 3HG2 VAL 2 HG22 VAL 2 -4.449 1.884 7.871 21 H LYS 3 HN LYS 3 -2.421 -1.926 7.736 22 HA LYS 3 HA LYS 3 -1.415 -3.343 10.178 23 1HB LYS 3 HB2 LYS 3 -2.900 -4.827 8.786 24 2HB LYS 3 HB1 LYS 3 -1.806 -4.579 7.430 25 1HG LYS 3 HG2 LYS 3 -1.003 -6.587 8.323 26 2HG LYS 3 HG1 LYS 3 0.043 -5.413 9.113 27 1HD LYS 3 HD2 LYS 3 -1.387 -5.447 11.110 28 2HD LYS 3 HD1 LYS 3 -2.490 -6.566 10.308 29 1HE LYS 3 HE2 LYS 3 -0.711 -8.240 10.146 30 2HE LYS 3 HE1 LYS 3 0.431 -7.122 10.890 31 1HZ LYS 3 HZ1 LYS 3 -2.077 -7.717 12.285 32 2HZ LYS 3 HZ3 LYS 3 -0.837 -8.873 12.321 33 3HZ LYS 3 HZ2 LYS 3 -0.556 -7.308 12.921 34 H GLN 4 HN GLN 4 0.780 -3.181 10.357 35 HA GLN 4 HA GLN 4 2.285 -2.008 8.060 36 1HB GLN 4 HB2 GLN 4 2.457 -0.859 10.246 37 2HB GLN 4 HB1 GLN 4 3.066 -2.344 10.977 38 1HG GLN 4 HG2 GLN 4 5.008 -2.301 9.438 39 2HG GLN 4 HG1 GLN 4 4.402 -0.805 8.725 40 1HE2 GLN 4 HE22 GLN 4 6.533 0.751 11.129 41 2HE2 GLN 4 HE21 GLN 4 6.364 0.334 9.492 42 H ILE 5 HN ILE 5 3.479 -3.370 6.847 43 HA ILE 5 HA ILE 5 4.159 -6.082 7.916 44 HB ILE 5 HB ILE 5 4.398 -5.043 5.092 45 1HG1 ILE 5 HG12 ILE 5 2.075 -4.796 5.782 46 2HG1 ILE 5 HG11 ILE 5 2.215 -6.184 4.706 47 1HG2 ILE 5 HG22 ILE 5 4.279 -7.804 6.315 48 2HG2 ILE 5 HG21 ILE 5 4.234 -7.472 4.590 49 3HG2 ILE 5 HG23 ILE 5 5.665 -7.058 5.521 50 1HD1 ILE 5 HD11 ILE 5 2.438 -7.614 6.840 51 2HD1 ILE 5 HD13 ILE 5 1.884 -6.185 7.713 52 3HD1 ILE 5 HD12 ILE 5 0.851 -6.933 6.502 53 H GLU 6 HN GLU 6 6.173 -6.166 8.793 54 HA GLU 6 HA GLU 6 8.270 -4.309 7.813 55 1HB GLU 6 HB2 GLU 6 8.251 -6.225 10.168 56 2HB GLU 6 HB1 GLU 6 9.494 -5.025 9.807 57 1HG GLU 6 HG2 GLU 6 8.182 -3.854 11.347 58 2HG GLU 6 HG1 GLU 6 7.480 -3.328 9.819 59 H SER 7 HN SER 7 7.161 -7.352 7.042 60 HA SER 7 HA SER 7 9.759 -8.022 5.811 61 1HB SER 7 HB2 SER 7 9.799 -10.293 6.779 62 2HB SER 7 HB1 SER 7 9.940 -9.052 8.030 63 HG SER 7 HG SER 7 7.652 -9.292 8.330 64 H LYS 8 HN LYS 8 9.603 -9.584 4.167 65 HA LYS 8 HA LYS 8 7.161 -9.619 2.669 66 1HB LYS 8 HB2 LYS 8 9.524 -9.966 1.778 67 2HB LYS 8 HB1 LYS 8 9.427 -11.599 2.439 68 1HG LYS 8 HG2 LYS 8 7.400 -12.021 1.095 69 2HG LYS 8 HG1 LYS 8 7.531 -10.402 0.412 70 1HD LYS 8 HD2 LYS 8 8.494 -12.058 -1.122 71 2HD LYS 8 HD1 LYS 8 9.746 -10.972 -0.524 72 1HE LYS 8 HE2 LYS 8 10.738 -12.623 0.783 73 2HE LYS 8 HE1 LYS 8 9.236 -13.536 0.959 74 1HZ LYS 8 HZ2 LYS 8 9.504 -13.786 -1.613 75 2HZ LYS 8 HZ1 LYS 8 11.143 -13.503 -1.267 76 3HZ LYS 8 HZ3 LYS 8 10.343 -14.816 -0.552 77 H THR 9 HN THR 9 8.580 -11.783 5.049 78 HA THR 9 HA THR 9 6.931 -14.044 4.591 79 HB THR 9 HB THR 9 7.943 -13.033 7.263 80 HG1 THR 9 HG1 THR 9 9.809 -13.448 6.425 81 1HG2 THR 9 HG21 THR 9 6.997 -15.723 6.258 82 2HG2 THR 9 HG23 THR 9 7.978 -15.549 7.714 83 3HG2 THR 9 HG22 THR 9 6.382 -14.803 7.632 84 H ALA 10 HN ALA 10 6.461 -11.204 6.669 85 HA ALA 10 HA ALA 10 3.806 -11.986 7.516 86 1HB ALA 10 HB1 ALA 10 5.438 -9.453 7.622 87 2HB ALA 10 HB3 ALA 10 3.714 -9.374 7.984 88 3HB ALA 10 HB2 ALA 10 4.772 -10.400 8.953 89 H PHE 11 HN PHE 11 5.120 -10.241 4.762 90 HA PHE 11 HA PHE 11 2.718 -9.014 3.832 91 1HB PHE 11 HB2 PHE 11 5.059 -8.694 2.880 92 2HB PHE 11 HB1 PHE 11 4.882 -10.250 2.096 93 HD1 PHE 11 HD1 PHE 11 3.011 -7.026 2.512 94 HD2 PHE 11 HD2 PHE 11 4.020 -10.306 -0.075 95 HE1 PHE 11 HE1 PHE 11 1.766 -5.951 0.657 96 HE2 PHE 11 HE2 PHE 11 2.775 -9.230 -1.926 97 HZ PHE 11 HZ PHE 11 1.649 -7.055 -1.558 98 H GLN 12 HN GLN 12 4.090 -12.231 3.250 99 HA GLN 12 HA GLN 12 2.016 -13.134 1.475 100 1HB GLN 12 HB2 GLN 12 3.817 -14.682 3.379 101 2HB GLN 12 HB1 GLN 12 2.849 -15.407 2.095 102 1HG GLN 12 HG2 GLN 12 4.964 -13.281 1.642 103 2HG GLN 12 HG1 GLN 12 5.233 -15.011 1.431 104 1HE2 GLN 12 HE22 GLN 12 3.112 -15.210 -1.502 105 2HE2 GLN 12 HE21 GLN 12 3.558 -16.104 -0.130 106 H GLU 13 HN GLU 13 2.454 -13.318 4.989 107 HA GLU 13 HA GLU 13 0.085 -14.855 5.527 108 1HB GLU 13 HB2 GLU 13 1.672 -12.942 7.274 109 2HB GLU 13 HB1 GLU 13 0.417 -14.012 7.875 110 1HG GLU 13 HG2 GLU 13 2.918 -14.925 6.425 111 2HG GLU 13 HG1 GLU 13 2.683 -14.980 8.172 112 H ALA 14 HN ALA 14 0.688 -11.392 5.235 113 HA ALA 14 HA ALA 14 -1.871 -10.567 6.252 114 1HB ALA 14 HB1 ALA 14 0.165 -9.095 5.960 115 2HB ALA 14 HB3 ALA 14 -0.156 -9.105 4.228 116 3HB ALA 14 HB2 ALA 14 -1.331 -8.401 5.341 117 H LEU 15 HN LEU 15 -0.663 -11.310 2.999 118 HA LEU 15 HA LEU 15 -3.006 -10.559 1.570 119 1HB LEU 15 HB2 LEU 15 -0.895 -12.654 1.022 120 2HB LEU 15 HB1 LEU 15 -2.154 -12.239 -0.133 121 HG LEU 15 HG LEU 15 -0.288 -10.180 1.065 122 1HD1 LEU 15 HD13 LEU 15 0.059 -11.960 -1.344 123 2HD1 LEU 15 HD12 LEU 15 0.807 -10.363 -1.292 124 3HD1 LEU 15 HD11 LEU 15 1.223 -11.571 -0.078 125 1HD2 LEU 15 HD22 LEU 15 -2.279 -10.213 -1.205 126 2HD2 LEU 15 HD21 LEU 15 -2.121 -9.046 0.106 127 3HD2 LEU 15 HD23 LEU 15 -0.947 -9.059 -1.206 128 H ASP 16 HN ASP 16 -2.047 -13.583 3.152 129 HA ASP 16 HA ASP 16 -4.371 -15.052 2.302 130 1HB ASP 16 HB2 ASP 16 -2.171 -16.025 3.183 131 2HB ASP 16 HB1 ASP 16 -2.769 -15.635 4.799 132 H ALA 17 HN ALA 17 -3.626 -13.097 5.150 133 HA ALA 17 HA ALA 17 -5.927 -13.809 6.697 134 1HB ALA 17 HB2 ALA 17 -4.339 -11.227 6.681 135 2HB ALA 17 HB1 ALA 17 -5.454 -11.734 7.949 136 3HB ALA 17 HB3 ALA 17 -3.975 -12.650 7.658 137 H ALA 18 HN ALA 18 -5.375 -11.258 4.300 138 HA ALA 18 HA ALA 18 -7.810 -9.842 4.682 139 1HB ALA 18 HB1 ALA 18 -6.231 -10.272 2.133 140 2HB ALA 18 HB3 ALA 18 -7.470 -9.040 2.369 141 3HB ALA 18 HB2 ALA 18 -5.974 -8.976 3.302 142 H GLY 19 HN GLY 19 -7.087 -12.783 2.897 143 1HA GLY 19 HA2 GLY 19 -8.535 -14.399 2.007 144 2HA GLY 19 HA1 GLY 19 -9.848 -13.601 2.875 145 H ASP 20 HN ASP 20 -11.427 -13.056 1.423 146 HA ASP 20 HA ASP 20 -10.683 -12.434 -1.371 147 1HB ASP 20 HB2 ASP 20 -13.397 -12.726 -0.055 148 2HB ASP 20 HB1 ASP 20 -13.110 -12.529 -1.786 149 H LYS 21 HN LYS 21 -10.747 -10.597 1.312 150 HA LYS 21 HA LYS 21 -12.330 -8.334 0.366 151 1HB LYS 21 HB2 LYS 21 -10.289 -8.650 2.584 152 2HB LYS 21 HB1 LYS 21 -11.152 -7.143 2.270 153 1HG LYS 21 HG2 LYS 21 -13.311 -8.468 2.477 154 2HG LYS 21 HG1 LYS 21 -12.331 -9.806 3.082 155 1HD LYS 21 HD2 LYS 21 -11.470 -8.362 4.887 156 2HD LYS 21 HD1 LYS 21 -12.445 -7.024 4.283 157 1HE LYS 21 HE2 LYS 21 -13.641 -8.067 6.116 158 2HE LYS 21 HE1 LYS 21 -14.487 -8.437 4.616 159 1HZ LYS 21 HZ2 LYS 21 -12.582 -10.418 4.970 160 2HZ LYS 21 HZ1 LYS 21 -13.339 -10.218 6.478 161 3HZ LYS 21 HZ3 LYS 21 -14.268 -10.568 5.102 162 H LEU 22 HN LEU 22 -11.445 -6.310 -0.412 163 HA LEU 22 HA LEU 22 -9.296 -6.553 -2.260 164 1HB LEU 22 HB2 LEU 22 -11.274 -4.698 -1.740 165 2HB LEU 22 HB1 LEU 22 -9.853 -3.839 -1.168 166 HG LEU 22 HG LEU 22 -10.287 -4.971 -3.939 167 1HD1 LEU 22 HD13 LEU 22 -10.722 -2.334 -2.700 168 2HD1 LEU 22 HD12 LEU 22 -9.657 -2.239 -4.094 169 3HD1 LEU 22 HD11 LEU 22 -11.259 -2.944 -4.260 170 1HD2 LEU 22 HD22 LEU 22 -7.844 -3.822 -2.589 171 2HD2 LEU 22 HD21 LEU 22 -7.968 -5.256 -3.613 172 3HD2 LEU 22 HD23 LEU 22 -8.060 -3.649 -4.327 173 H VAL 23 HN VAL 23 -7.114 -5.513 -2.055 174 HA VAL 23 HA VAL 23 -6.232 -4.931 0.721 175 HB VAL 23 HB VAL 23 -4.971 -7.013 -1.098 176 1HG1 VAL 23 HG12 VAL 23 -4.021 -5.656 1.424 177 2HG1 VAL 23 HG11 VAL 23 -3.455 -7.270 0.998 178 3HG1 VAL 23 HG13 VAL 23 -3.145 -5.911 -0.083 179 1HG2 VAL 23 HG23 VAL 23 -6.301 -7.175 1.619 180 2HG2 VAL 23 HG22 VAL 23 -6.878 -7.899 0.116 181 3HG2 VAL 23 HG21 VAL 23 -5.403 -8.498 0.876 182 H VAL 24 HN VAL 24 -5.233 -2.998 0.553 183 HA VAL 24 HA VAL 24 -3.804 -2.351 -1.997 184 HB VAL 24 HB VAL 24 -4.683 -0.430 0.190 185 1HG1 VAL 24 HG11 VAL 24 -2.783 0.250 -1.306 186 2HG1 VAL 24 HG13 VAL 24 -3.856 0.044 -2.690 187 3HG1 VAL 24 HG12 VAL 24 -4.207 1.275 -1.479 188 1HG2 VAL 24 HG21 VAL 24 -6.027 -1.283 -2.388 189 2HG2 VAL 24 HG23 VAL 24 -6.693 -1.348 -0.756 190 3HG2 VAL 24 HG22 VAL 24 -6.436 0.209 -1.542 191 H VAL 25 HN VAL 25 -1.608 -1.795 -1.869 192 HA VAL 25 HA VAL 25 -0.329 -2.007 0.845 193 HB VAL 25 HB VAL 25 0.831 -2.955 -1.793 194 1HG1 VAL 25 HG11 VAL 25 2.439 -2.231 -0.003 195 2HG1 VAL 25 HG13 VAL 25 1.704 -3.427 1.061 196 3HG1 VAL 25 HG12 VAL 25 2.552 -3.946 -0.392 197 1HG2 VAL 25 HG23 VAL 25 -1.177 -4.275 -0.909 198 2HG2 VAL 25 HG22 VAL 25 0.315 -5.191 -1.100 199 3HG2 VAL 25 HG21 VAL 25 -0.187 -4.647 0.499 200 H ASP 26 HN ASP 26 0.726 -0.189 1.382 201 HA ASP 26 HA ASP 26 1.440 1.755 -0.783 202 1HB ASP 26 HB2 ASP 26 0.031 2.570 1.085 203 2HB ASP 26 HB1 ASP 26 1.289 2.129 2.234 204 H PHE 27 HN PHE 27 3.507 1.690 -1.436 205 HA PHE 27 HA PHE 27 5.626 0.551 0.314 206 1HB PHE 27 HB2 PHE 27 5.447 1.196 -2.635 207 2HB PHE 27 HB1 PHE 27 6.993 0.835 -1.864 208 HD1 PHE 27 HD1 PHE 27 7.240 -1.355 -0.596 209 HD2 PHE 27 HD2 PHE 27 3.956 -0.557 -3.253 210 HE1 PHE 27 HE1 PHE 27 6.798 -3.784 -0.782 211 HE2 PHE 27 HE2 PHE 27 3.513 -2.992 -3.416 212 HZ PHE 27 HZ PHE 27 4.934 -4.602 -2.189 213 H SER 28 HN SER 28 4.379 3.337 0.576 214 HA SER 28 HA SER 28 6.219 5.304 -0.289 215 1HB SER 28 HB2 SER 28 4.558 5.298 2.244 216 2HB SER 28 HB1 SER 28 5.308 6.713 1.517 217 HG SER 28 HG SER 28 2.997 6.180 0.994 218 H ALA 29 HN ALA 29 7.967 6.299 0.685 219 HA ALA 29 HA ALA 29 9.512 4.585 2.521 220 1HB ALA 29 HB3 ALA 29 10.074 6.968 0.780 221 2HB ALA 29 HB2 ALA 29 11.154 6.670 2.144 222 3HB ALA 29 HB1 ALA 29 10.948 5.444 0.890 223 H THR 30 HN THR 30 9.423 4.914 4.687 224 HA THR 30 HA THR 30 7.863 7.045 5.798 225 HB THR 30 HB THR 30 8.215 4.922 6.994 226 HG1 THR 30 HG1 THR 30 8.139 7.190 8.032 227 1HG2 THR 30 HG23 THR 30 10.560 4.560 6.227 228 2HG2 THR 30 HG22 THR 30 11.085 5.832 7.329 229 3HG2 THR 30 HG21 THR 30 10.371 4.353 7.969 230 H TRP 31 HN TRP 31 11.316 6.632 5.132 231 HA TRP 31 HA TRP 31 12.152 9.024 6.548 232 1HB TRP 31 HB2 TRP 31 14.247 8.785 5.342 233 2HB TRP 31 HB1 TRP 31 13.712 7.207 5.920 234 HD1 TRP 31 HD1 TRP 31 13.183 5.393 4.185 235 HE1 TRP 31 HE1 TRP 31 13.402 5.227 1.622 236 HE3 TRP 31 HE3 TRP 31 13.931 10.309 3.047 237 HZ2 TRP 31 HZ2 TRP 31 13.809 6.950 -0.612 238 HZ3 TRP 31 HZ3 TRP 31 14.210 11.021 0.690 239 HH2 TRP 31 HH2 TRP 31 14.151 9.348 -1.141 240 H CYS 32 HN CYS 32 10.717 8.499 3.397 241 HA CYS 32 HA CYS 32 11.612 11.118 2.387 242 1HB CYS 32 HB2 CYS 32 11.117 9.052 0.935 243 2HB CYS 32 HB1 CYS 32 9.416 9.369 1.239 244 H GLY 33 HN GLY 33 10.728 12.898 3.272 245 1HA GLY 33 HA2 GLY 33 8.386 12.945 4.856 246 2HA GLY 33 HA1 GLY 33 9.139 14.369 4.146 247 HA PRO 34 HA PRO 34 6.117 14.873 0.949 248 1HB PRO 34 HB2 PRO 34 7.494 13.214 -1.118 249 2HB PRO 34 HB1 PRO 34 6.975 14.907 -1.196 250 1HG PRO 34 HG2 PRO 34 9.592 14.164 -0.933 251 2HG PRO 34 HG1 PRO 34 8.956 15.692 -0.305 252 1HD PRO 34 HD2 PRO 34 9.802 13.277 1.188 253 2HD PRO 34 HD1 PRO 34 9.642 14.947 1.770 254 H ALA 35 HN ALA 35 7.369 11.521 0.960 255 HA ALA 35 HA ALA 35 4.821 10.418 0.063 256 1HB ALA 35 HB2 ALA 35 7.310 9.431 -0.064 257 2HB ALA 35 HB1 ALA 35 6.838 8.693 1.464 258 3HB ALA 35 HB3 ALA 35 5.904 8.371 0.001 259 H LYS 36 HN LYS 36 6.553 10.504 3.198 260 HA LYS 36 HA LYS 36 4.574 9.129 4.720 261 1HB LYS 36 HB2 LYS 36 6.900 9.734 5.497 262 2HB LYS 36 HB1 LYS 36 6.341 11.392 5.701 263 1HG LYS 36 HG2 LYS 36 4.509 10.453 7.212 264 2HG LYS 36 HG1 LYS 36 5.385 8.922 7.167 265 1HD LYS 36 HD2 LYS 36 7.418 10.083 8.019 266 2HD LYS 36 HD1 LYS 36 6.493 11.579 8.129 267 1HE LYS 36 HE2 LYS 36 4.962 10.554 9.742 268 2HE LYS 36 HE1 LYS 36 5.801 9.012 9.591 269 1HZ LYS 36 HZ3 LYS 36 7.745 10.894 10.158 270 2HZ LYS 36 HZ2 LYS 36 6.456 11.243 11.209 271 3HZ LYS 36 HZ1 LYS 36 7.150 9.692 11.196 272 H MET 37 HN MET 37 4.798 12.454 3.634 273 HA MET 37 HA MET 37 2.825 13.638 5.300 274 1HB MET 37 HB2 MET 37 4.393 14.846 3.742 275 2HB MET 37 HB1 MET 37 3.392 14.312 2.397 276 1HG MET 37 HG2 MET 37 2.201 15.812 4.731 277 2HG MET 37 HG1 MET 37 2.924 16.663 3.368 278 1HE MET 37 HE1 MET 37 0.346 17.509 3.904 279 2HE MET 37 HE3 MET 37 0.882 17.852 2.253 280 3HE MET 37 HE2 MET 37 -0.737 17.222 2.544 281 H ILE 38 HN ILE 38 2.527 11.600 2.463 282 HA ILE 38 HA ILE 38 -0.310 12.163 2.085 283 HB ILE 38 HB ILE 38 1.188 9.794 0.945 284 1HG1 ILE 38 HG12 ILE 38 1.064 12.586 -0.242 285 2HG1 ILE 38 HG11 ILE 38 2.471 11.952 0.604 286 1HG2 ILE 38 HG23 ILE 38 -1.187 11.461 0.057 287 2HG2 ILE 38 HG22 ILE 38 -0.388 10.287 -0.983 288 3HG2 ILE 38 HG21 ILE 38 -1.182 9.753 0.493 289 1HD1 ILE 38 HD13 ILE 38 2.275 9.953 -1.072 290 2HD1 ILE 38 HD12 ILE 38 1.308 11.081 -2.021 291 3HD1 ILE 38 HD11 ILE 38 2.979 11.472 -1.618 292 H LYS 39 HN LYS 39 1.301 10.284 4.390 293 HA LYS 39 HA LYS 39 -0.257 7.932 4.322 294 1HB LYS 39 HB2 LYS 39 0.553 7.346 6.431 295 2HB LYS 39 HB1 LYS 39 1.824 8.331 5.736 296 1HG LYS 39 HG2 LYS 39 1.389 10.147 7.166 297 2HG LYS 39 HG1 LYS 39 -0.239 9.609 7.555 298 1HD LYS 39 HD2 LYS 39 2.306 8.189 8.386 299 2HD LYS 39 HD1 LYS 39 1.374 9.271 9.417 300 1HE LYS 39 HE2 LYS 39 0.396 7.299 10.085 301 2HE LYS 39 HE1 LYS 39 -0.603 7.563 8.657 302 1HZ LYS 39 HZ3 LYS 39 1.712 6.353 7.770 303 2HZ LYS 39 HZ2 LYS 39 1.276 5.509 9.180 304 3HZ LYS 39 HZ1 LYS 39 0.174 5.648 7.893 305 HA PRO 40 HA PRO 40 -3.369 10.075 7.401 306 1HB PRO 40 HB2 PRO 40 -3.778 12.574 5.821 307 2HB PRO 40 HB1 PRO 40 -3.720 12.352 7.578 308 1HG PRO 40 HG2 PRO 40 -1.695 13.529 6.289 309 2HG PRO 40 HG1 PRO 40 -1.388 12.425 7.639 310 1HD PRO 40 HD2 PRO 40 -1.131 11.913 4.700 311 2HD PRO 40 HD1 PRO 40 -0.067 11.368 6.012 312 H PHE 41 HN PHE 41 -3.395 10.732 3.881 313 HA PHE 41 HA PHE 41 -6.248 10.239 3.655 314 1HB PHE 41 HB2 PHE 41 -4.015 10.137 1.599 315 2HB PHE 41 HB1 PHE 41 -5.724 9.988 1.220 316 HD1 PHE 41 HD2 PHE 41 -3.267 12.250 2.883 317 HD2 PHE 41 HD1 PHE 41 -7.043 11.892 0.872 318 HE1 PHE 41 HE2 PHE 41 -3.475 14.722 2.841 319 HE2 PHE 41 HE1 PHE 41 -7.254 14.367 0.831 320 HZ PHE 41 HZ PHE 41 -5.465 15.780 1.812 321 H PHE 42 HN PHE 42 -3.342 8.324 2.867 322 HA PHE 42 HA PHE 42 -4.691 5.904 2.191 323 1HB PHE 42 HB2 PHE 42 -2.294 6.359 1.717 324 2HB PHE 42 HB1 PHE 42 -1.945 6.299 3.447 325 HD1 PHE 42 HD1 PHE 42 -3.125 4.297 0.543 326 HD2 PHE 42 HD2 PHE 42 -1.731 4.219 4.607 327 HE1 PHE 42 HE1 PHE 42 -2.914 1.830 0.425 328 HE2 PHE 42 HE2 PHE 42 -1.527 1.748 4.491 329 HZ PHE 42 HZ PHE 42 -2.117 0.552 2.398 330 H HIS 43 HN HIS 43 -3.346 7.036 5.273 331 HA HIS 43 HA HIS 43 -4.182 4.744 6.793 332 1HB HIS 43 HB2 HIS 43 -2.373 6.230 7.537 333 2HB HIS 43 HB1 HIS 43 -3.511 7.568 7.688 334 HD1 HIS 43 HD1 HIS 43 -2.383 4.440 9.374 335 HD2 HIS 43 HD2 HIS 43 -5.336 7.326 9.869 336 HE1 HIS 43 HE1 HIS 43 -3.457 3.983 11.624 337 H SER 44 HN SER 44 -5.634 7.980 6.355 338 HA SER 44 HA SER 44 -7.846 7.594 8.099 339 1HB SER 44 HB2 SER 44 -7.670 9.311 5.616 340 2HB SER 44 HB1 SER 44 -8.953 9.402 6.817 341 HG SER 44 HG SER 44 -7.671 10.600 7.948 342 H LEU 45 HN LEU 45 -7.479 6.867 4.651 343 HA LEU 45 HA LEU 45 -10.183 6.218 4.119 344 1HB LEU 45 HB2 LEU 45 -7.622 5.243 2.887 345 2HB LEU 45 HB1 LEU 45 -9.196 4.820 2.244 346 HG LEU 45 HG LEU 45 -8.475 7.720 2.730 347 1HD1 LEU 45 HD13 LEU 45 -7.807 6.023 0.307 348 2HD1 LEU 45 HD12 LEU 45 -7.833 7.786 0.284 349 3HD1 LEU 45 HD11 LEU 45 -6.682 6.934 1.313 350 1HD2 LEU 45 HD23 LEU 45 -10.434 6.246 0.948 351 2HD2 LEU 45 HD22 LEU 45 -10.798 7.390 2.237 352 3HD2 LEU 45 HD21 LEU 45 -10.062 7.956 0.742 353 H SER 46 HN SER 46 -7.765 4.414 5.846 354 HA SER 46 HA SER 46 -8.710 1.784 5.469 355 1HB SER 46 HB2 SER 46 -7.619 3.031 8.007 356 2HB SER 46 HB1 SER 46 -7.785 1.303 7.723 357 HG SER 46 HG SER 46 -6.276 1.425 6.122 358 H GLU 47 HN GLU 47 -9.903 4.356 7.570 359 HA GLU 47 HA GLU 47 -12.009 2.588 8.644 360 1HB GLU 47 HB2 GLU 47 -11.379 5.536 9.028 361 2HB GLU 47 HB1 GLU 47 -12.754 4.733 9.782 362 1HG GLU 47 HG2 GLU 47 -9.865 3.868 10.131 363 2HG GLU 47 HG1 GLU 47 -10.756 4.866 11.282 364 H LYS 48 HN LYS 48 -11.562 4.695 5.926 365 HA LYS 48 HA LYS 48 -14.401 5.362 5.652 366 1HB LYS 48 HB2 LYS 48 -12.581 6.771 4.615 367 2HB LYS 48 HB1 LYS 48 -12.262 5.436 3.506 368 1HG LYS 48 HG2 LYS 48 -14.622 5.525 2.739 369 2HG LYS 48 HG1 LYS 48 -14.894 6.912 3.794 370 1HD LYS 48 HD2 LYS 48 -13.052 8.111 2.576 371 2HD LYS 48 HD1 LYS 48 -12.982 6.757 1.450 372 1HE LYS 48 HE2 LYS 48 -15.477 8.381 2.013 373 2HE LYS 48 HE1 LYS 48 -14.415 8.638 0.629 374 1HZ LYS 48 HZ2 LYS 48 -14.934 5.940 0.662 375 2HZ LYS 48 HZ1 LYS 48 -16.429 6.666 1.010 376 3HZ LYS 48 HZ3 LYS 48 -15.593 7.086 -0.404 377 H TYR 49 HN TYR 49 -12.141 2.938 4.501 378 HA TYR 49 HA TYR 49 -14.479 1.364 3.428 379 1HB TYR 49 HB2 TYR 49 -11.627 1.443 2.375 380 2HB TYR 49 HB1 TYR 49 -12.888 0.351 1.806 381 HD1 TYR 49 HD2 TYR 49 -15.127 1.468 1.044 382 HD2 TYR 49 HD1 TYR 49 -11.377 3.543 1.331 383 HE1 TYR 49 HE2 TYR 49 -15.974 3.215 -0.496 384 HE2 TYR 49 HE1 TYR 49 -12.226 5.286 -0.214 385 HH TYR 49 HH TYR 49 -13.915 5.954 -1.483 386 H SER 50 HN SER 50 -14.317 0.839 5.856 387 HA SER 50 HA SER 50 -12.145 -0.720 6.864 388 1HB SER 50 HB2 SER 50 -13.624 -1.248 8.683 389 2HB SER 50 HB1 SER 50 -13.963 0.405 8.208 390 HG SER 50 HG SER 50 -15.384 -1.805 7.155 391 H ASN 51 HN ASN 51 -14.358 -1.369 4.435 392 HA ASN 51 HA ASN 51 -14.473 -4.289 4.879 393 1HB ASN 51 HB2 ASN 51 -16.389 -2.902 3.891 394 2HB ASN 51 HB1 ASN 51 -15.392 -2.741 2.445 395 1HD2 ASN 51 HD22 ASN 51 -16.255 -5.931 1.244 396 2HD2 ASN 51 HD21 ASN 51 -15.579 -4.405 0.930 397 H VAL 52 HN VAL 52 -12.160 -2.254 3.966 398 HA VAL 52 HA VAL 52 -10.924 -4.173 2.037 399 HB VAL 52 HB VAL 52 -10.896 -1.138 1.990 400 1HG1 VAL 52 HG11 VAL 52 -8.953 -3.128 0.857 401 2HG1 VAL 52 HG13 VAL 52 -9.366 -1.726 -0.134 402 3HG1 VAL 52 HG12 VAL 52 -8.664 -1.502 1.467 403 1HG2 VAL 52 HG21 VAL 52 -11.778 -3.298 0.058 404 2HG2 VAL 52 HG23 VAL 52 -12.769 -2.046 0.803 405 3HG2 VAL 52 HG22 VAL 52 -11.574 -1.614 -0.418 406 H ILE 53 HN ILE 53 -8.710 -4.623 2.503 407 HA ILE 53 HA ILE 53 -7.820 -3.614 5.184 408 HB ILE 53 HB ILE 53 -6.555 -5.800 3.507 409 1HG1 ILE 53 HG12 ILE 53 -8.857 -6.468 3.871 410 2HG1 ILE 53 HG11 ILE 53 -7.857 -7.360 5.015 411 1HG2 ILE 53 HG23 ILE 53 -5.467 -4.580 5.624 412 2HG2 ILE 53 HG22 ILE 53 -6.533 -5.658 6.517 413 3HG2 ILE 53 HG21 ILE 53 -5.325 -6.323 5.422 414 1HD1 ILE 53 HD13 ILE 53 -8.376 -5.427 6.667 415 2HD1 ILE 53 HD12 ILE 53 -9.667 -5.004 5.544 416 3HD1 ILE 53 HD11 ILE 53 -9.663 -6.584 6.326 417 H PHE 54 HN PHE 54 -6.341 -1.988 5.218 418 HA PHE 54 HA PHE 54 -4.727 -1.432 2.755 419 1HB PHE 54 HB2 PHE 54 -5.253 0.231 5.240 420 2HB PHE 54 HB1 PHE 54 -4.191 0.725 3.926 421 HD1 PHE 54 HD1 PHE 54 -7.691 -0.449 4.562 422 HD2 PHE 54 HD2 PHE 54 -5.087 1.941 2.128 423 HE1 PHE 54 HE1 PHE 54 -9.652 0.458 3.344 424 HE2 PHE 54 HE2 PHE 54 -7.050 2.840 0.905 425 HZ PHE 54 HZ PHE 54 -9.327 2.096 1.517 426 H LEU 55 HN LEU 55 -2.574 -1.916 2.767 427 HA LEU 55 HA LEU 55 -1.261 -2.531 5.396 428 1HB LEU 55 HB2 LEU 55 -0.637 -3.612 2.631 429 2HB LEU 55 HB1 LEU 55 0.424 -3.824 4.019 430 HG LEU 55 HG LEU 55 -1.302 -5.087 5.193 431 1HD1 LEU 55 HD13 LEU 55 -3.034 -4.168 2.926 432 2HD1 LEU 55 HD12 LEU 55 -3.366 -5.738 3.663 433 3HD1 LEU 55 HD11 LEU 55 -3.392 -4.286 4.649 434 1HD2 LEU 55 HD21 LEU 55 -0.751 -5.930 2.346 435 2HD2 LEU 55 HD23 LEU 55 0.080 -6.443 3.811 436 3HD2 LEU 55 HD22 LEU 55 -1.567 -6.984 3.495 437 H GLU 56 HN GLU 56 0.638 -1.551 5.866 438 HA GLU 56 HA GLU 56 1.585 0.574 3.974 439 1HB GLU 56 HB2 GLU 56 0.741 1.275 6.290 440 2HB GLU 56 HB1 GLU 56 2.117 0.391 6.955 441 1HG GLU 56 HG2 GLU 56 3.646 1.770 5.557 442 2HG GLU 56 HG1 GLU 56 2.255 2.707 5.002 443 H VAL 57 HN VAL 57 3.665 0.305 3.214 444 HA VAL 57 HA VAL 57 5.380 -1.778 4.545 445 HB VAL 57 HB VAL 57 5.050 -1.330 1.564 446 1HG1 VAL 57 HG11 VAL 57 6.579 -3.372 3.191 447 2HG1 VAL 57 HG13 VAL 57 6.365 -3.438 1.448 448 3HG1 VAL 57 HG12 VAL 57 7.277 -2.114 2.167 449 1HG2 VAL 57 HG23 VAL 57 4.071 -3.558 3.362 450 2HG2 VAL 57 HG22 VAL 57 3.060 -2.357 2.570 451 3HG2 VAL 57 HG21 VAL 57 3.953 -3.539 1.610 452 H ASP 58 HN ASP 58 7.443 -1.090 4.940 453 HA ASP 58 HA ASP 58 8.282 1.582 3.923 454 1HB ASP 58 HB2 ASP 58 8.450 0.925 6.386 455 2HB ASP 58 HB1 ASP 58 9.704 -0.219 5.889 456 H VAL 59 HN VAL 59 9.579 1.589 2.107 457 HA VAL 59 HA VAL 59 10.695 -0.869 1.047 458 HB VAL 59 HB VAL 59 11.884 0.632 -0.530 459 1HG1 VAL 59 HG11 VAL 59 9.004 1.374 0.058 460 2HG1 VAL 59 HG13 VAL 59 9.852 1.795 -1.430 461 3HG1 VAL 59 HG12 VAL 59 9.563 0.102 -1.027 462 1HG2 VAL 59 HG23 VAL 59 10.871 2.759 1.371 463 2HG2 VAL 59 HG22 VAL 59 12.539 2.431 0.906 464 3HG2 VAL 59 HG21 VAL 59 11.416 3.120 -0.268 465 H ASP 60 HN ASP 60 11.694 1.460 3.397 466 HA ASP 60 HA ASP 60 14.546 0.700 3.230 467 1HB ASP 60 HB2 ASP 60 12.924 2.682 4.809 468 2HB ASP 60 HB1 ASP 60 14.583 2.323 5.265 469 H ASP 61 HN ASP 61 11.861 0.304 5.613 470 HA ASP 61 HA ASP 61 13.652 -1.484 7.211 471 1HB ASP 61 HB2 ASP 61 10.819 -0.545 7.813 472 2HB ASP 61 HB1 ASP 61 11.851 -1.485 8.885 473 H ALA 62 HN ALA 62 11.294 -1.564 4.795 474 HA ALA 62 HA ALA 62 10.898 -4.505 5.177 475 1HB ALA 62 HB1 ALA 62 8.885 -2.594 5.274 476 2HB ALA 62 HB3 ALA 62 8.830 -3.101 3.588 477 3HB ALA 62 HB2 ALA 62 8.633 -4.293 4.872 478 H GLN 63 HN GLN 63 13.036 -3.278 3.840 479 HA GLN 63 HA GLN 63 12.669 -2.870 1.063 480 1HB GLN 63 HB2 GLN 63 15.071 -3.230 0.874 481 2HB GLN 63 HB1 GLN 63 14.748 -2.335 2.360 482 1HG GLN 63 HG2 GLN 63 14.753 -4.546 3.587 483 2HG GLN 63 HG1 GLN 63 15.331 -5.298 2.101 484 1HE2 GLN 63 HE22 GLN 63 18.363 -3.045 2.337 485 2HE2 GLN 63 HE21 GLN 63 17.059 -3.102 1.252 486 H ASP 64 HN ASP 64 12.827 -5.822 2.946 487 HA ASP 64 HA ASP 64 13.412 -7.583 0.771 488 1HB ASP 64 HB2 ASP 64 12.327 -9.333 2.243 489 2HB ASP 64 HB1 ASP 64 13.621 -8.427 3.016 490 H VAL 65 HN VAL 65 10.395 -6.223 2.041 491 HA VAL 65 HA VAL 65 8.662 -7.805 0.368 492 HB VAL 65 HB VAL 65 8.066 -5.029 1.416 493 1HG1 VAL 65 HG13 VAL 65 6.461 -6.200 -0.136 494 2HG1 VAL 65 HG12 VAL 65 6.291 -7.458 1.089 495 3HG1 VAL 65 HG11 VAL 65 5.785 -5.805 1.446 496 1HG2 VAL 65 HG22 VAL 65 8.250 -7.646 2.886 497 2HG2 VAL 65 HG21 VAL 65 8.880 -6.075 3.358 498 3HG2 VAL 65 HG23 VAL 65 7.148 -6.392 3.433 499 H ALA 66 HN ALA 66 9.938 -4.485 0.101 500 HA ALA 66 HA ALA 66 8.699 -3.969 -2.441 501 1HB ALA 66 HB3 ALA 66 9.700 -2.325 -0.647 502 2HB ALA 66 HB2 ALA 66 11.188 -2.531 -1.571 503 3HB ALA 66 HB1 ALA 66 9.740 -1.897 -2.356 504 H SER 67 HN SER 67 11.904 -5.195 -1.526 505 HA SER 67 HA SER 67 13.100 -4.995 -4.104 506 1HB SER 67 HB2 SER 67 14.685 -6.688 -3.308 507 2HB SER 67 HB1 SER 67 14.356 -5.526 -2.026 508 HG SER 67 HG SER 67 12.568 -7.205 -1.567 509 H GLU 68 HN GLU 68 10.918 -7.380 -2.733 510 HA GLU 68 HA GLU 68 11.227 -9.357 -4.799 511 1HB GLU 68 HB2 GLU 68 10.161 -9.730 -2.541 512 2HB GLU 68 HB1 GLU 68 8.764 -8.819 -3.112 513 1HG GLU 68 HG2 GLU 68 9.839 -11.231 -4.594 514 2HG GLU 68 HG1 GLU 68 8.615 -11.368 -3.335 515 H ALA 69 HN ALA 69 9.186 -6.495 -4.441 516 HA ALA 69 HA ALA 69 7.743 -7.083 -6.937 517 1HB ALA 69 HB2 ALA 69 6.760 -5.976 -4.823 518 2HB ALA 69 HB1 ALA 69 7.575 -4.513 -5.373 519 3HB ALA 69 HB3 ALA 69 6.344 -5.270 -6.382 520 H GLU 70 HN GLU 70 10.760 -5.840 -6.325 521 HA GLU 70 HA GLU 70 12.212 -4.479 -7.568 522 1HB GLU 70 HB2 GLU 70 10.255 -5.315 -9.728 523 2HB GLU 70 HB1 GLU 70 11.726 -4.403 -10.057 524 1HG GLU 70 HG2 GLU 70 12.270 -6.704 -10.399 525 2HG GLU 70 HG1 GLU 70 13.000 -6.246 -8.863 526 H VAL 71 HN VAL 71 10.539 -2.945 -6.051 527 HA VAL 71 HA VAL 71 8.974 -1.081 -7.586 528 HB VAL 71 HB VAL 71 10.334 -0.534 -4.927 529 1HG1 VAL 71 HG12 VAL 71 7.944 0.621 -6.396 530 2HG1 VAL 71 HG11 VAL 71 8.269 0.939 -4.695 531 3HG1 VAL 71 HG13 VAL 71 9.425 1.455 -5.927 532 1HG2 VAL 71 HG23 VAL 71 7.774 -2.009 -5.618 533 2HG2 VAL 71 HG22 VAL 71 9.087 -2.545 -4.573 534 3HG2 VAL 71 HG21 VAL 71 8.010 -1.255 -4.042 535 H LYS 72 HN LYS 72 9.618 0.674 -8.732 536 HA LYS 72 HA LYS 72 12.525 1.290 -8.778 537 1HB LYS 72 HB2 LYS 72 10.332 1.912 -10.767 538 2HB LYS 72 HB1 LYS 72 12.047 2.256 -10.993 539 1HG LYS 72 HG2 LYS 72 11.107 -0.559 -10.398 540 2HG LYS 72 HG1 LYS 72 11.099 0.068 -12.043 541 1HD LYS 72 HD2 LYS 72 13.531 0.606 -11.805 542 2HD LYS 72 HD1 LYS 72 13.511 -0.161 -10.217 543 1HE LYS 72 HE2 LYS 72 12.692 -2.262 -11.272 544 2HE LYS 72 HE1 LYS 72 12.849 -1.493 -12.854 545 1HZ LYS 72 HZ1 LYS 72 15.227 -1.135 -11.389 546 2HZ LYS 72 HZ3 LYS 72 14.825 -2.781 -11.384 547 3HZ LYS 72 HZ2 LYS 72 14.998 -1.956 -12.860 548 H ALA 73 HN ALA 73 9.559 2.612 -7.660 549 HA ALA 73 HA ALA 73 10.940 5.044 -6.849 550 1HB ALA 73 HB1 ALA 73 10.247 5.419 -9.284 551 2HB ALA 73 HB3 ALA 73 8.592 5.469 -8.678 552 3HB ALA 73 HB2 ALA 73 9.776 6.653 -8.116 553 H THR 74 HN THR 74 9.721 6.308 -5.325 554 HA THR 74 HA THR 74 7.196 5.020 -4.335 555 HB THR 74 HB THR 74 7.932 5.466 -2.057 556 HG1 THR 74 HG1 THR 74 9.685 6.691 -1.631 557 1HG2 THR 74 HG22 THR 74 8.934 3.483 -3.227 558 2HG2 THR 74 HG21 THR 74 10.362 4.470 -3.525 559 3HG2 THR 74 HG23 THR 74 9.881 4.096 -1.872 560 HA PRO 75 HA PRO 75 5.806 5.690 -2.549 561 1HB PRO 75 HB2 PRO 75 3.234 6.709 -2.595 562 2HB PRO 75 HB1 PRO 75 4.467 7.156 -1.407 563 1HG PRO 75 HG2 PRO 75 3.439 8.718 -3.708 564 2HG PRO 75 HG1 PRO 75 4.177 9.285 -2.206 565 1HD PRO 75 HD2 PRO 75 5.446 9.142 -4.747 566 2HD PRO 75 HD1 PRO 75 6.254 9.429 -3.181 567 H THR 76 HN THR 76 4.804 3.840 -3.225 568 HA THR 76 HA THR 76 3.396 3.878 -5.869 569 HB THR 76 HB THR 76 5.312 1.746 -4.895 570 HG1 THR 76 HG1 THR 76 6.465 2.470 -6.776 571 1HG2 THR 76 HG21 THR 76 3.489 1.983 -7.285 572 2HG2 THR 76 HG23 THR 76 4.935 0.973 -7.333 573 3HG2 THR 76 HG22 THR 76 3.661 0.634 -6.162 574 H PHE 77 HN PHE 77 1.525 2.803 -5.878 575 HA PHE 77 HA PHE 77 0.716 1.327 -3.398 576 1HB PHE 77 HB2 PHE 77 -0.980 2.763 -5.468 577 2HB PHE 77 HB1 PHE 77 -1.594 1.929 -4.033 578 HD1 PHE 77 HD1 PHE 77 -1.169 2.804 -1.783 579 HD2 PHE 77 HD2 PHE 77 0.211 4.870 -5.286 580 HE1 PHE 77 HE1 PHE 77 -0.729 4.824 -0.413 581 HE2 PHE 77 HE2 PHE 77 0.651 6.896 -3.917 582 HZ PHE 77 HZ PHE 77 0.182 6.872 -1.478 583 H GLN 78 HN GLN 78 0.281 -0.815 -3.638 584 HA GLN 78 HA GLN 78 -0.175 -1.870 -6.423 585 1HB GLN 78 HB2 GLN 78 1.301 -3.180 -4.116 586 2HB GLN 78 HB1 GLN 78 0.941 -3.957 -5.661 587 1HG GLN 78 HG2 GLN 78 2.155 -1.974 -6.754 588 2HG GLN 78 HG1 GLN 78 2.758 -1.594 -5.143 589 1HE2 GLN 78 HE22 GLN 78 5.266 -3.830 -6.760 590 2HE2 GLN 78 HE21 GLN 78 4.649 -2.281 -7.074 591 H PHE 79 HN PHE 79 -1.915 -3.163 -6.652 592 HA PHE 79 HA PHE 79 -3.647 -3.522 -4.235 593 1HB PHE 79 HB2 PHE 79 -4.266 -3.464 -7.199 594 2HB PHE 79 HB1 PHE 79 -5.458 -3.809 -5.940 595 HD1 PHE 79 HD2 PHE 79 -3.068 -1.268 -7.209 596 HD2 PHE 79 HD1 PHE 79 -6.345 -2.069 -4.557 597 HE1 PHE 79 HE2 PHE 79 -3.289 1.158 -6.754 598 HE2 PHE 79 HE1 PHE 79 -6.569 0.356 -4.098 599 HZ PHE 79 HZ PHE 79 -5.044 1.972 -5.198 600 H PHE 80 HN PHE 80 -4.199 -5.487 -3.533 601 HA PHE 80 HA PHE 80 -3.576 -7.858 -5.236 602 1HB PHE 80 HB2 PHE 80 -3.029 -7.489 -2.288 603 2HB PHE 80 HB1 PHE 80 -3.008 -9.058 -3.088 604 HD1 PHE 80 HD2 PHE 80 -1.310 -5.775 -2.798 605 HD2 PHE 80 HD1 PHE 80 -1.276 -9.657 -4.661 606 HE1 PHE 80 HE2 PHE 80 1.028 -5.415 -3.537 607 HE2 PHE 80 HE1 PHE 80 1.062 -9.283 -5.398 608 HZ PHE 80 HZ PHE 80 2.213 -7.159 -4.835 609 H LYS 81 HN LYS 81 -5.007 -9.607 -5.007 610 HA LYS 81 HA LYS 81 -7.282 -9.362 -3.140 611 1HB LYS 81 HB2 LYS 81 -7.769 -8.089 -5.347 612 2HB LYS 81 HB1 LYS 81 -7.819 -9.680 -6.101 613 1HG LYS 81 HG2 LYS 81 -9.547 -10.365 -4.431 614 2HG LYS 81 HG1 LYS 81 -9.549 -8.715 -3.811 615 1HD LYS 81 HD2 LYS 81 -10.065 -7.945 -6.179 616 2HD LYS 81 HD1 LYS 81 -10.339 -9.641 -6.579 617 1HE LYS 81 HE2 LYS 81 -11.764 -8.157 -4.355 618 2HE LYS 81 HE1 LYS 81 -12.441 -8.440 -5.961 619 1HZ LYS 81 HZ3 LYS 81 -12.051 -10.854 -5.559 620 2HZ LYS 81 HZ2 LYS 81 -11.660 -10.473 -3.950 621 3HZ LYS 81 HZ1 LYS 81 -13.218 -10.156 -4.545 622 H LYS 82 HN LYS 82 -7.620 -11.388 -2.375 623 HA LYS 82 HA LYS 82 -7.534 -13.718 -2.159 624 1HB LYS 82 HB2 LYS 82 -7.706 -13.634 -5.198 625 2HB LYS 82 HB1 LYS 82 -7.868 -15.084 -4.216 626 1HG LYS 82 HG2 LYS 82 -9.765 -13.891 -2.995 627 2HG LYS 82 HG1 LYS 82 -9.703 -12.684 -4.278 628 1HD LYS 82 HD2 LYS 82 -9.972 -14.560 -5.948 629 2HD LYS 82 HD1 LYS 82 -10.251 -15.650 -4.591 630 1HE LYS 82 HE2 LYS 82 -12.401 -14.910 -5.467 631 2HE LYS 82 HE1 LYS 82 -12.156 -14.198 -3.875 632 1HZ LYS 82 HZ3 LYS 82 -11.277 -12.202 -5.040 633 2HZ LYS 82 HZ2 LYS 82 -11.787 -12.893 -6.506 634 3HZ LYS 82 HZ1 LYS 82 -12.924 -12.498 -5.308 635 H GLY 83 HN GLY 83 -5.037 -12.098 -2.473 636 1HA GLY 83 HA2 GLY 83 -2.755 -12.691 -2.341 637 2HA GLY 83 HA1 GLY 83 -3.200 -14.346 -2.752 638 H GLN 84 HN GLN 84 -4.371 -11.815 -4.823 639 HA GLN 84 HA GLN 84 -2.222 -12.423 -6.813 640 1HB GLN 84 HB2 GLN 84 -5.207 -12.279 -7.281 641 2HB GLN 84 HB1 GLN 84 -4.003 -12.342 -8.569 642 1HG GLN 84 HG2 GLN 84 -3.132 -14.469 -7.592 643 2HG GLN 84 HG1 GLN 84 -4.443 -14.427 -6.414 644 1HE2 GLN 84 HE22 GLN 84 -6.831 -14.633 -9.352 645 2HE2 GLN 84 HE21 GLN 84 -6.471 -13.384 -8.258 646 H LYS 85 HN LYS 85 -1.490 -10.699 -7.996 647 HA LYS 85 HA LYS 85 -2.167 -8.001 -7.078 648 1HB LYS 85 HB2 LYS 85 0.140 -8.729 -7.727 649 2HB LYS 85 HB1 LYS 85 -0.417 -8.917 -9.387 650 1HG LYS 85 HG2 LYS 85 -1.079 -6.492 -9.371 651 2HG LYS 85 HG1 LYS 85 -0.331 -6.349 -7.780 652 1HD LYS 85 HD2 LYS 85 1.804 -7.245 -8.802 653 2HD LYS 85 HD1 LYS 85 1.033 -7.097 -10.380 654 1HE LYS 85 HE2 LYS 85 0.670 -4.681 -9.966 655 2HE LYS 85 HE1 LYS 85 1.479 -4.835 -8.408 656 1HZ LYS 85 HZ2 LYS 85 2.991 -5.904 -10.615 657 2HZ LYS 85 HZ1 LYS 85 2.699 -4.235 -10.742 658 3HZ LYS 85 HZ3 LYS 85 3.480 -4.856 -9.370 659 H VAL 86 HN VAL 86 -3.666 -6.691 -7.990 660 HA VAL 86 HA VAL 86 -4.721 -7.379 -10.711 661 HB VAL 86 HB VAL 86 -6.897 -6.397 -9.854 662 1HG1 VAL 86 HG12 VAL 86 -6.296 -8.901 -9.942 663 2HG1 VAL 86 HG11 VAL 86 -6.010 -8.776 -8.207 664 3HG1 VAL 86 HG13 VAL 86 -7.612 -8.438 -8.864 665 1HG2 VAL 86 HG22 VAL 86 -5.883 -5.170 -7.952 666 2HG2 VAL 86 HG21 VAL 86 -7.155 -6.263 -7.409 667 3HG2 VAL 86 HG23 VAL 86 -5.463 -6.704 -7.196 668 H GLY 87 HN GLY 87 -2.797 -5.165 -9.265 669 1HA GLY 87 HA2 GLY 87 -3.024 -3.247 -11.306 670 2HA GLY 87 HA1 GLY 87 -4.115 -2.704 -10.039 671 H GLU 88 HN GLU 88 -1.856 -1.269 -10.920 672 HA GLU 88 HA GLU 88 -0.574 -0.732 -8.379 673 1HB GLU 88 HB2 GLU 88 0.869 -2.565 -8.948 674 2HB GLU 88 HB1 GLU 88 1.042 -1.998 -10.604 675 1HG GLU 88 HG2 GLU 88 1.901 -0.251 -8.294 676 2HG GLU 88 HG1 GLU 88 2.965 -1.522 -8.890 677 H PHE 89 HN PHE 89 0.500 1.288 -8.384 678 HA PHE 89 HA PHE 89 1.036 2.695 -10.857 679 1HB PHE 89 HB2 PHE 89 -0.611 4.379 -10.840 680 2HB PHE 89 HB1 PHE 89 -1.511 2.890 -10.597 681 HD1 PHE 89 HD1 PHE 89 -0.014 5.814 -8.821 682 HD2 PHE 89 HD2 PHE 89 -2.824 2.574 -8.635 683 HE1 PHE 89 HE1 PHE 89 -0.973 6.769 -6.736 684 HE2 PHE 89 HE2 PHE 89 -3.781 3.522 -6.550 685 HZ PHE 89 HZ PHE 89 -2.861 5.621 -5.604 686 H SER 90 HN SER 90 1.926 4.824 -10.485 687 HA SER 90 HA SER 90 2.940 5.227 -7.694 688 1HB SER 90 HB2 SER 90 5.048 6.003 -8.679 689 2HB SER 90 HB1 SER 90 4.721 4.328 -9.135 690 HG SER 90 HG SER 90 4.467 6.699 -10.654 691 H GLY 91 HN GLY 91 3.580 7.408 -7.231 692 1HA GLY 91 HA2 GLY 91 3.612 9.783 -8.116 693 2HA GLY 91 HA1 GLY 91 2.018 9.451 -8.793 694 H ALA 92 HN ALA 92 3.027 11.336 -6.591 695 HA ALA 92 HA ALA 92 1.745 10.308 -4.176 696 1HB ALA 92 HB1 ALA 92 2.924 12.955 -4.991 697 2HB ALA 92 HB3 ALA 92 2.107 12.756 -3.444 698 3HB ALA 92 HB2 ALA 92 3.548 11.806 -3.819 699 H ASN 93 HN ASN 93 -0.280 9.936 -5.741 700 HA ASN 93 HA ASN 93 -2.075 12.330 -5.479 701 1HB ASN 93 HB2 ASN 93 -1.661 11.624 -7.845 702 2HB ASN 93 HB1 ASN 93 -2.340 10.046 -7.450 703 1HD2 ASN 93 HD22 ASN 93 -4.826 13.133 -8.187 704 2HD2 ASN 93 HD21 ASN 93 -3.144 13.267 -8.372 705 H LYS 94 HN LYS 94 -3.009 11.903 -3.531 706 HA LYS 94 HA LYS 94 -3.638 9.277 -2.552 707 1HB LYS 94 HB2 LYS 94 -4.973 10.563 -0.866 708 2HB LYS 94 HB1 LYS 94 -3.292 11.051 -0.998 709 1HG LYS 94 HG2 LYS 94 -5.082 12.535 -2.842 710 2HG LYS 94 HG1 LYS 94 -5.500 12.770 -1.154 711 1HD LYS 94 HD2 LYS 94 -3.017 13.293 -0.767 712 2HD LYS 94 HD1 LYS 94 -2.869 13.362 -2.525 713 1HE LYS 94 HE2 LYS 94 -4.670 15.072 -2.574 714 2HE LYS 94 HE1 LYS 94 -4.738 15.018 -0.812 715 1HZ LYS 94 HZ2 LYS 94 -2.255 15.507 -0.932 716 2HZ LYS 94 HZ1 LYS 94 -2.544 15.974 -2.542 717 3HZ LYS 94 HZ3 LYS 94 -3.326 16.784 -1.273 718 H GLU 95 HN GLU 95 -5.527 11.639 -4.397 719 HA GLU 95 HA GLU 95 -8.084 10.429 -3.923 720 1HB GLU 95 HB2 GLU 95 -7.116 12.037 -6.310 721 2HB GLU 95 HB1 GLU 95 -8.799 11.696 -5.913 722 1HG GLU 95 HG2 GLU 95 -8.445 12.807 -3.694 723 2HG GLU 95 HG1 GLU 95 -6.834 13.273 -4.243 724 H LYS 96 HN LYS 96 -5.477 9.750 -6.121 725 HA LYS 96 HA LYS 96 -6.836 8.162 -8.036 726 1HB LYS 96 HB2 LYS 96 -4.455 9.021 -8.075 727 2HB LYS 96 HB1 LYS 96 -4.032 7.713 -6.997 728 1HG LYS 96 HG2 LYS 96 -4.509 6.054 -8.603 729 2HG LYS 96 HG1 LYS 96 -5.440 7.168 -9.611 730 1HD LYS 96 HD2 LYS 96 -3.346 8.468 -10.039 731 2HD LYS 96 HD1 LYS 96 -2.443 7.259 -9.127 732 1HE LYS 96 HE2 LYS 96 -3.028 5.529 -10.726 733 2HE LYS 96 HE1 LYS 96 -4.132 6.623 -11.565 734 1HZ LYS 96 HZ2 LYS 96 -1.250 7.222 -11.252 735 2HZ LYS 96 HZ1 LYS 96 -1.849 6.338 -12.574 736 3HZ LYS 96 HZ3 LYS 96 -2.361 7.935 -12.319 737 H LEU 97 HN LEU 97 -5.595 7.476 -4.822 738 HA LEU 97 HA LEU 97 -5.820 4.637 -4.835 739 1HB LEU 97 HB2 LEU 97 -6.182 6.697 -2.643 740 2HB LEU 97 HB1 LEU 97 -6.287 4.979 -2.323 741 HG LEU 97 HG LEU 97 -3.889 6.263 -3.630 742 1HD1 LEU 97 HD12 LEU 97 -4.495 5.722 -0.710 743 2HD1 LEU 97 HD11 LEU 97 -2.865 6.015 -1.317 744 3HD1 LEU 97 HD13 LEU 97 -4.099 7.269 -1.452 745 1HD2 LEU 97 HD23 LEU 97 -4.683 3.523 -3.196 746 2HD2 LEU 97 HD22 LEU 97 -3.156 4.121 -3.836 747 3HD2 LEU 97 HD21 LEU 97 -3.344 3.860 -2.107 748 H GLU 98 HN GLU 98 -8.131 7.208 -4.191 749 HA GLU 98 HA GLU 98 -10.280 5.543 -3.306 750 1HB GLU 98 HB2 GLU 98 -10.229 7.998 -2.996 751 2HB GLU 98 HB1 GLU 98 -10.445 8.213 -4.733 752 1HG GLU 98 HG2 GLU 98 -12.604 6.980 -4.602 753 2HG GLU 98 HG1 GLU 98 -12.390 6.830 -2.858 754 H ALA 99 HN ALA 99 -9.452 6.696 -6.571 755 HA ALA 99 HA ALA 99 -11.785 5.566 -7.805 756 1HB ALA 99 HB3 ALA 99 -10.405 7.338 -8.857 757 2HB ALA 99 HB2 ALA 99 -9.093 6.180 -9.063 758 3HB ALA 99 HB1 ALA 99 -10.615 5.953 -9.927 759 H THR 100 HN THR 100 -8.475 4.278 -7.439 760 HA THR 100 HA THR 100 -9.018 1.916 -8.963 761 HB THR 100 HB THR 100 -6.995 2.174 -6.723 762 HG1 THR 100 HG1 THR 100 -5.699 3.140 -8.169 763 1HG2 THR 100 HG22 THR 100 -7.225 0.452 -9.205 764 2HG2 THR 100 HG21 THR 100 -5.769 0.556 -8.216 765 3HG2 THR 100 HG23 THR 100 -7.259 -0.087 -7.527 766 H ILE 101 HN ILE 101 -9.344 2.639 -5.502 767 HA ILE 101 HA ILE 101 -9.983 -0.024 -4.641 768 HB ILE 101 HB ILE 101 -10.770 2.700 -3.560 769 1HG1 ILE 101 HG12 ILE 101 -8.904 0.645 -2.351 770 2HG1 ILE 101 HG11 ILE 101 -8.331 1.804 -3.549 771 1HG2 ILE 101 HG21 ILE 101 -11.320 -0.077 -2.471 772 2HG2 ILE 101 HG23 ILE 101 -11.327 1.362 -1.450 773 3HG2 ILE 101 HG22 ILE 101 -12.482 1.214 -2.773 774 1HD1 ILE 101 HD13 ILE 101 -9.199 3.654 -2.107 775 2HD1 ILE 101 HD12 ILE 101 -9.622 2.455 -0.884 776 3HD1 ILE 101 HD11 ILE 101 -7.933 2.705 -1.326 777 H ASN 102 HN ASN 102 -12.039 2.682 -5.691 778 HA ASN 102 HA ASN 102 -14.542 1.331 -5.490 779 1HB ASN 102 HB2 ASN 102 -14.329 3.777 -5.858 780 2HB ASN 102 HB1 ASN 102 -13.681 3.467 -7.473 781 1HD2 ASN 102 HD22 ASN 102 -17.645 3.544 -6.985 782 2HD2 ASN 102 HD21 ASN 102 -16.546 4.121 -5.827 783 H GLU 103 HN GLU 103 -12.076 1.436 -7.981 784 HA GLU 103 HA GLU 103 -13.570 0.143 -10.051 785 1HB GLU 103 HB2 GLU 103 -11.383 1.460 -10.245 786 2HB GLU 103 HB1 GLU 103 -10.577 0.019 -9.635 787 1HG GLU 103 HG2 GLU 103 -12.385 -0.036 -12.065 788 2HG GLU 103 HG1 GLU 103 -10.642 0.206 -12.168 789 H LEU 104 HN LEU 104 -11.430 -1.105 -7.482 790 HA LEU 104 HA LEU 104 -11.978 -3.892 -8.379 791 1HB LEU 104 HB2 LEU 104 -10.076 -2.809 -6.293 792 2HB LEU 104 HB1 LEU 104 -10.226 -4.503 -6.727 793 HG LEU 104 HG LEU 104 -9.531 -2.332 -8.720 794 1HD1 LEU 104 HD11 LEU 104 -7.776 -4.068 -6.984 795 2HD1 LEU 104 HD13 LEU 104 -7.193 -3.343 -8.482 796 3HD1 LEU 104 HD12 LEU 104 -7.742 -2.318 -7.159 797 1HD2 LEU 104 HD21 LEU 104 -9.570 -5.359 -8.767 798 2HD2 LEU 104 HD23 LEU 104 -10.286 -4.234 -9.921 799 3HD2 LEU 104 HD22 LEU 104 -8.540 -4.454 -9.874 800 H VAL 105 HN VAL 105 -13.391 -1.701 -6.252 801 HA VAL 105 HA VAL 105 -13.772 -3.346 -3.929 802 HB VAL 105 HB VAL 105 -14.323 -0.843 -4.167 803 1HG1 VAL 105 HG11 VAL 105 -15.841 -1.409 -6.239 804 2HG1 VAL 105 HG13 VAL 105 -17.067 -1.749 -5.018 805 3HG1 VAL 105 HG12 VAL 105 -16.341 -0.143 -5.121 806 1HG2 VAL 105 HG22 VAL 105 -14.899 -2.220 -2.182 807 2HG2 VAL 105 HG21 VAL 105 -16.105 -0.972 -2.493 808 3HG2 VAL 105 HG23 VAL 105 -16.432 -2.646 -2.944 809 HA PRO 59 HA PRO 106 13.450 16.798 -14.181 810 1HB PRO 59 HB2 PRO 106 15.937 15.794 -13.416 811 2HB PRO 59 HB1 PRO 106 15.623 16.634 -14.948 812 1HG PRO 59 HG2 PRO 106 16.789 17.701 -12.415 813 2HG PRO 59 HG1 PRO 106 17.262 18.019 -14.094 814 1HD PRO 59 HD2 PRO 106 15.797 19.800 -12.685 815 2HD PRO 59 HD1 PRO 106 15.538 19.561 -14.429 816 H ALA 60 HN ALA 107 14.341 17.854 -11.002 817 HA ALA 60 HA ALA 107 13.830 15.213 -9.768 818 1HB ALA 60 HB2 ALA 107 14.496 17.917 -8.559 819 2HB ALA 60 HB1 ALA 107 14.382 16.404 -7.660 820 3HB ALA 60 HB3 ALA 107 15.643 16.613 -8.875 821 H THR 61 HN THR 108 11.798 14.647 -9.129 822 HA THR 61 HA THR 108 9.710 16.799 -8.900 823 HB THR 61 HB THR 108 9.313 13.818 -9.314 824 HG1 THR 61 HG1 THR 108 10.172 14.369 -11.178 825 1HG2 THR 61 HG23 THR 108 7.445 15.406 -8.400 826 2HG2 THR 61 HG22 THR 108 7.404 16.024 -10.050 827 3HG2 THR 61 HG21 THR 108 7.065 14.323 -9.737 828 H LEU 62 HN LEU 109 8.929 17.192 -6.902 829 HA LEU 62 HA LEU 109 9.817 15.719 -4.580 830 1HB LEU 62 HB2 LEU 109 7.703 17.848 -4.975 831 2HB LEU 62 HB1 LEU 109 8.101 17.175 -3.398 832 HG LEU 62 HG LEU 109 10.101 18.511 -5.248 833 1HD1 LEU 62 HD11 LEU 109 8.305 20.024 -4.325 834 2HD1 LEU 62 HD13 LEU 109 8.853 19.592 -2.706 835 3HD1 LEU 62 HD12 LEU 109 9.937 20.445 -3.803 836 1HD2 LEU 62 HD22 LEU 109 10.273 17.184 -2.552 837 2HD2 LEU 62 HD21 LEU 109 11.442 17.198 -3.871 838 3HD2 LEU 62 HD23 LEU 109 11.271 18.608 -2.832 839 H LYS 63 HN LYS 110 7.047 15.530 -6.667 840 HA LYS 63 HA LYS 110 5.247 14.171 -4.910 841 1HB LYS 63 HB2 LYS 110 5.505 13.935 -7.925 842 2HB LYS 63 HB1 LYS 110 4.096 13.477 -6.972 843 1HG LYS 63 HG2 LYS 110 5.226 16.277 -7.271 844 2HG LYS 63 HG1 LYS 110 3.738 15.674 -7.992 845 1HD LYS 63 HD2 LYS 110 3.050 15.160 -5.518 846 2HD LYS 63 HD1 LYS 110 4.327 16.298 -5.102 847 1HE LYS 63 HE2 LYS 110 2.265 17.542 -5.258 848 2HE LYS 63 HE1 LYS 110 3.240 17.955 -6.668 849 1HZ LYS 63 HZ1 LYS 110 1.745 15.700 -7.319 850 2HZ LYS 63 HZ3 LYS 110 0.679 16.793 -6.581 851 3HZ LYS 63 HZ2 LYS 110 1.579 17.274 -7.939 852 H ILE 64 HN ILE 111 8.129 13.162 -6.489 853 HA ILE 64 HA ILE 111 7.600 10.290 -5.745 854 HB ILE 64 HB ILE 111 9.041 11.390 -8.187 855 1HG1 ILE 64 HG12 ILE 111 6.606 11.342 -8.427 856 2HG1 ILE 64 HG11 ILE 111 7.340 10.101 -9.437 857 1HG2 ILE 64 HG21 ILE 111 8.893 8.598 -7.051 858 2HG2 ILE 64 HG23 ILE 111 9.237 8.896 -8.754 859 3HG2 ILE 64 HG22 ILE 111 10.328 9.515 -7.513 860 1HD1 ILE 64 HD11 ILE 111 6.927 8.613 -7.225 861 2HD1 ILE 64 HD13 ILE 111 5.651 9.803 -6.993 862 3HD1 ILE 64 HD12 ILE 111 5.690 8.823 -8.456 863 H CYS 65 HN CYS 112 9.331 9.274 -4.654 864 HA CYS 65 HA CYS 112 11.704 10.985 -4.036 865 1HB CYS 65 HB2 CYS 112 11.075 8.380 -2.633 866 2HB CYS 65 HB1 CYS 112 12.026 9.740 -2.051 867 H SER 66 HN SER 113 13.703 10.352 -4.864 868 HA SER 66 HA SER 113 13.733 8.082 -6.723 869 1HB SER 66 HB2 SER 113 15.952 9.964 -5.866 870 2HB SER 66 HB1 SER 113 16.072 8.782 -7.166 871 HG SER 66 HG SER 113 14.986 10.085 -8.401 872 H TRP 67 HN TRP 114 14.827 6.135 -6.465 873 HA TRP 67 HA TRP 114 15.455 5.301 -3.736 874 1HB TRP 67 HB2 TRP 114 15.724 3.912 -6.420 875 2HB TRP 67 HB1 TRP 114 16.156 3.148 -4.889 876 HD1 TRP 67 HD1 TRP 114 13.119 5.179 -6.149 877 HE1 TRP 67 HE1 TRP 114 10.977 3.993 -5.336 878 HE3 TRP 67 HE3 TRP 114 15.168 1.221 -3.694 879 HZ2 TRP 67 HZ2 TRP 114 10.264 1.692 -3.804 880 HZ3 TRP 67 HZ3 TRP 114 13.748 -0.451 -2.570 881 HH2 TRP 67 HH2 TRP 114 11.289 -0.222 -2.633 882 H ASN 68 HN ASN 115 17.148 6.852 -6.234 883 HA ASN 68 HA ASN 115 19.761 5.819 -6.042 884 1HB ASN 68 HB2 ASN 115 18.827 8.695 -6.361 885 2HB ASN 68 HB1 ASN 115 20.497 8.168 -6.589 886 1HD2 ASN 68 HD22 ASN 115 18.470 5.941 -9.203 887 2HD2 ASN 68 HD21 ASN 115 18.564 5.608 -7.541 888 H VAL 69 HN VAL 116 17.826 7.210 -3.619 889 HA VAL 69 HA VAL 116 19.771 8.562 -2.039 890 HB VAL 69 HB VAL 116 18.259 7.973 -0.092 891 1HG1 VAL 69 HG11 VAL 116 17.979 9.988 -1.602 892 2HG1 VAL 69 HG13 VAL 116 16.776 9.058 -2.498 893 3HG1 VAL 69 HG12 VAL 116 16.504 9.447 -0.799 894 1HG2 VAL 69 HG23 VAL 116 17.499 5.789 -1.172 895 2HG2 VAL 69 HG22 VAL 116 16.212 6.786 -0.499 896 3HG2 VAL 69 HG21 VAL 116 16.493 6.764 -2.234 897 H ASP 70 HN ASP 117 21.247 7.847 -0.570 898 HA ASP 70 HA ASP 117 22.371 5.247 -0.817 899 1HB ASP 70 HB2 ASP 117 22.641 7.381 1.309 900 2HB ASP 70 HB1 ASP 117 23.596 5.897 1.318 901 H GLY 71 HN GLY 118 20.054 6.573 1.517 902 1HA GLY 71 HA2 GLY 118 18.824 4.094 2.102 903 2HA GLY 71 HA1 GLY 118 20.082 4.343 3.313 No H/Q in entry = 903 Start of MODEL 13 1 1H MET 1 HT2 MET 1 -8.452 -2.882 8.768 2 2H MET 1 HT1 MET 1 -9.014 -3.333 10.307 3 3H MET 1 HT3 MET 1 -9.767 -2.065 9.469 4 HA MET 1 HA MET 1 -8.375 -0.581 10.307 5 1HB MET 1 HB2 MET 1 -7.181 -3.005 11.695 6 2HB MET 1 HB1 MET 1 -6.886 -1.330 12.157 7 1HG MET 1 HG2 MET 1 -9.617 -2.658 12.102 8 2HG MET 1 HG1 MET 1 -8.653 -2.397 13.553 9 1HE MET 1 HE3 MET 1 -7.586 -0.205 14.080 10 2HE MET 1 HE2 MET 1 -8.578 1.242 14.224 11 3HE MET 1 HE1 MET 1 -9.063 -0.235 15.052 12 H VAL 2 HN VAL 2 -5.655 -0.519 10.891 13 HA VAL 2 HA VAL 2 -4.474 -0.901 8.173 14 HB VAL 2 HB VAL 2 -3.573 0.701 10.586 15 1HG1 VAL 2 HG12 VAL 2 -2.268 0.213 7.896 16 2HG1 VAL 2 HG11 VAL 2 -1.882 1.617 8.894 17 3HG1 VAL 2 HG13 VAL 2 -1.565 -0.010 9.498 18 1HG2 VAL 2 HG21 VAL 2 -5.528 1.522 9.219 19 2HG2 VAL 2 HG23 VAL 2 -4.143 2.612 9.216 20 3HG2 VAL 2 HG22 VAL 2 -4.457 1.578 7.822 21 H LYS 3 HN LYS 3 -2.583 -2.114 7.867 22 HA LYS 3 HA LYS 3 -1.537 -3.662 10.214 23 1HB LYS 3 HB2 LYS 3 -3.057 -5.026 8.720 24 2HB LYS 3 HB1 LYS 3 -1.951 -4.708 7.391 25 1HG LYS 3 HG2 LYS 3 -1.185 -6.785 8.162 26 2HG LYS 3 HG1 LYS 3 -0.121 -5.671 9.011 27 1HD LYS 3 HD2 LYS 3 -1.438 -5.835 11.028 28 2HD LYS 3 HD1 LYS 3 -2.690 -6.756 10.192 29 1HE LYS 3 HE2 LYS 3 -1.096 -8.581 9.790 30 2HE LYS 3 HE1 LYS 3 0.170 -7.665 10.611 31 1HZ LYS 3 HZ1 LYS 3 -2.393 -8.243 11.950 32 2HZ LYS 3 HZ3 LYS 3 -1.144 -9.391 11.945 33 3HZ LYS 3 HZ2 LYS 3 -0.890 -7.863 12.643 34 H GLN 4 HN GLN 4 0.625 -3.329 10.405 35 HA GLN 4 HA GLN 4 2.089 -2.092 8.127 36 1HB GLN 4 HB2 GLN 4 2.230 -1.018 10.355 37 2HB GLN 4 HB1 GLN 4 2.895 -2.506 11.027 38 1HG GLN 4 HG2 GLN 4 4.827 -2.346 9.510 39 2HG GLN 4 HG1 GLN 4 4.154 -0.877 8.801 40 1HE2 GLN 4 HE22 GLN 4 6.229 0.774 11.179 41 2HE2 GLN 4 HE21 GLN 4 6.061 0.345 9.545 42 H ILE 5 HN ILE 5 3.312 -3.394 6.850 43 HA ILE 5 HA ILE 5 4.039 -6.123 7.839 44 HB ILE 5 HB ILE 5 4.298 -4.995 5.044 45 1HG1 ILE 5 HG12 ILE 5 1.961 -4.801 5.651 46 2HG1 ILE 5 HG11 ILE 5 2.134 -6.215 4.612 47 1HG2 ILE 5 HG21 ILE 5 4.180 -7.797 6.174 48 2HG2 ILE 5 HG23 ILE 5 4.196 -7.404 4.465 49 3HG2 ILE 5 HG22 ILE 5 5.589 -7.014 5.458 50 1HD1 ILE 5 HD12 ILE 5 2.381 -7.556 6.819 51 2HD1 ILE 5 HD11 ILE 5 1.717 -6.121 7.599 52 3HD1 ILE 5 HD13 ILE 5 0.774 -6.980 6.384 53 H GLU 6 HN GLU 6 6.052 -6.105 8.800 54 HA GLU 6 HA GLU 6 8.103 -4.205 7.811 55 1HB GLU 6 HB2 GLU 6 8.132 -6.103 10.178 56 2HB GLU 6 HB1 GLU 6 9.358 -4.890 9.809 57 1HG GLU 6 HG2 GLU 6 8.021 -3.745 11.349 58 2HG GLU 6 HG1 GLU 6 7.338 -3.216 9.814 59 H SER 7 HN SER 7 7.114 -7.284 7.010 60 HA SER 7 HA SER 7 9.740 -7.841 5.779 61 1HB SER 7 HB2 SER 7 9.914 -10.103 6.745 62 2HB SER 7 HB1 SER 7 10.003 -8.858 7.992 63 HG SER 7 HG SER 7 7.559 -10.059 7.237 64 H LYS 8 HN LYS 8 9.680 -9.526 4.200 65 HA LYS 8 HA LYS 8 7.273 -9.670 2.652 66 1HB LYS 8 HB2 LYS 8 9.669 -10.059 1.835 67 2HB LYS 8 HB1 LYS 8 9.540 -11.659 2.570 68 1HG LYS 8 HG2 LYS 8 7.525 -12.114 1.199 69 2HG LYS 8 HG1 LYS 8 7.717 -10.537 0.432 70 1HD LYS 8 HD2 LYS 8 8.669 -12.324 -0.978 71 2HD LYS 8 HD1 LYS 8 9.924 -11.213 -0.435 72 1HE LYS 8 HE2 LYS 8 10.865 -12.774 1.016 73 2HE LYS 8 HE1 LYS 8 9.351 -13.662 1.212 74 1HZ LYS 8 HZ2 LYS 8 10.777 -13.554 -1.379 75 2HZ LYS 8 HZ1 LYS 8 11.141 -14.728 -0.206 76 3HZ LYS 8 HZ3 LYS 8 9.583 -14.654 -0.873 77 H THR 9 HN THR 9 8.651 -11.667 5.183 78 HA THR 9 HA THR 9 7.079 -13.989 4.827 79 HB THR 9 HB THR 9 7.955 -12.759 7.452 80 HG1 THR 9 HG1 THR 9 9.276 -14.093 5.408 81 1HG2 THR 9 HG21 THR 9 7.304 -15.605 6.639 82 2HG2 THR 9 HG23 THR 9 7.943 -15.121 8.209 83 3HG2 THR 9 HG22 THR 9 6.341 -14.583 7.705 84 H ALA 10 HN ALA 10 6.444 -11.104 6.810 85 HA ALA 10 HA ALA 10 3.790 -11.952 7.549 86 1HB ALA 10 HB1 ALA 10 5.220 -9.288 7.618 87 2HB ALA 10 HB3 ALA 10 3.533 -9.450 8.112 88 3HB ALA 10 HB2 ALA 10 4.795 -10.332 8.971 89 H PHE 11 HN PHE 11 5.143 -10.251 4.798 90 HA PHE 11 HA PHE 11 2.758 -9.060 3.782 91 1HB PHE 11 HB2 PHE 11 5.135 -8.760 2.894 92 2HB PHE 11 HB1 PHE 11 4.960 -10.322 2.116 93 HD1 PHE 11 HD1 PHE 11 3.080 -7.091 2.466 94 HD2 PHE 11 HD2 PHE 11 4.160 -10.374 -0.082 95 HE1 PHE 11 HE1 PHE 11 1.883 -6.025 0.590 96 HE2 PHE 11 HE2 PHE 11 2.957 -9.304 -1.965 97 HZ PHE 11 HZ PHE 11 1.812 -7.131 -1.630 98 H GLN 12 HN GLN 12 4.156 -12.288 3.275 99 HA GLN 12 HA GLN 12 2.120 -13.212 1.471 100 1HB GLN 12 HB2 GLN 12 3.845 -14.774 3.434 101 2HB GLN 12 HB1 GLN 12 2.952 -15.469 2.081 102 1HG GLN 12 HG2 GLN 12 5.119 -13.359 1.824 103 2HG GLN 12 HG1 GLN 12 5.349 -15.085 1.527 104 1HE2 GLN 12 HE22 GLN 12 3.843 -12.811 -1.402 105 2HE2 GLN 12 HE21 GLN 12 4.581 -12.182 -0.009 106 H GLU 13 HN GLU 13 2.492 -13.455 4.990 107 HA GLU 13 HA GLU 13 0.112 -14.968 5.486 108 1HB GLU 13 HB2 GLU 13 1.873 -13.181 7.150 109 2HB GLU 13 HB1 GLU 13 0.391 -13.825 7.834 110 1HG GLU 13 HG2 GLU 13 2.331 -15.281 8.335 111 2HG GLU 13 HG1 GLU 13 1.139 -16.116 7.342 112 H ALA 14 HN ALA 14 0.697 -11.479 5.313 113 HA ALA 14 HA ALA 14 -1.898 -10.686 6.221 114 1HB ALA 14 HB1 ALA 14 0.140 -9.203 5.970 115 2HB ALA 14 HB3 ALA 14 -0.146 -9.220 4.231 116 3HB ALA 14 HB2 ALA 14 -1.348 -8.518 5.317 117 H LEU 15 HN LEU 15 -0.596 -11.368 2.978 118 HA LEU 15 HA LEU 15 -2.909 -10.660 1.494 119 1HB LEU 15 HB2 LEU 15 -0.736 -12.706 1.009 120 2HB LEU 15 HB1 LEU 15 -1.989 -12.357 -0.177 121 HG LEU 15 HG LEU 15 -0.312 -10.142 1.008 122 1HD1 LEU 15 HD11 LEU 15 0.424 -12.100 -1.158 123 2HD1 LEU 15 HD13 LEU 15 0.986 -10.433 -1.265 124 3HD1 LEU 15 HD12 LEU 15 1.429 -11.422 0.123 125 1HD2 LEU 15 HD21 LEU 15 -1.961 -10.489 -1.515 126 2HD2 LEU 15 HD23 LEU 15 -2.194 -9.313 -0.221 127 3HD2 LEU 15 HD22 LEU 15 -0.817 -9.165 -1.308 128 H ASP 16 HN ASP 16 -1.962 -13.696 3.067 129 HA ASP 16 HA ASP 16 -4.257 -15.162 2.149 130 1HB ASP 16 HB2 ASP 16 -2.082 -16.149 3.037 131 2HB ASP 16 HB1 ASP 16 -2.679 -15.762 4.654 132 H ALA 17 HN ALA 17 -3.608 -13.223 5.048 133 HA ALA 17 HA ALA 17 -5.972 -14.037 6.465 134 1HB ALA 17 HB1 ALA 17 -4.044 -12.969 7.585 135 2HB ALA 17 HB3 ALA 17 -4.398 -11.461 6.742 136 3HB ALA 17 HB2 ALA 17 -5.546 -12.106 7.916 137 H ALA 18 HN ALA 18 -5.378 -11.398 4.168 138 HA ALA 18 HA ALA 18 -7.834 -10.002 4.602 139 1HB ALA 18 HB3 ALA 18 -5.866 -9.208 3.203 140 2HB ALA 18 HB2 ALA 18 -6.441 -10.292 1.934 141 3HB ALA 18 HB1 ALA 18 -7.456 -8.959 2.480 142 H GLY 19 HN GLY 19 -7.080 -12.894 2.744 143 1HA GLY 19 HA2 GLY 19 -8.531 -14.482 1.798 144 2HA GLY 19 HA1 GLY 19 -9.848 -13.690 2.668 145 H ASP 20 HN ASP 20 -11.401 -13.024 1.244 146 HA ASP 20 HA ASP 20 -10.638 -12.372 -1.540 147 1HB ASP 20 HB2 ASP 20 -13.368 -12.522 -0.235 148 2HB ASP 20 HB1 ASP 20 -13.049 -12.351 -1.961 149 H LYS 21 HN LYS 21 -10.778 -10.618 1.267 150 HA LYS 21 HA LYS 21 -12.226 -8.275 0.336 151 1HB LYS 21 HB2 LYS 21 -10.185 -8.625 2.551 152 2HB LYS 21 HB1 LYS 21 -11.123 -7.158 2.282 153 1HG LYS 21 HG2 LYS 21 -13.194 -8.766 2.423 154 2HG LYS 21 HG1 LYS 21 -12.062 -9.863 3.218 155 1HD LYS 21 HD2 LYS 21 -11.456 -7.926 4.759 156 2HD LYS 21 HD1 LYS 21 -12.844 -7.075 4.088 157 1HE LYS 21 HE2 LYS 21 -14.203 -9.176 4.715 158 2HE LYS 21 HE1 LYS 21 -12.812 -9.615 5.710 159 1HZ LYS 21 HZ1 LYS 21 -14.130 -6.970 5.883 160 2HZ LYS 21 HZ3 LYS 21 -14.599 -8.286 6.844 161 3HZ LYS 21 HZ2 LYS 21 -13.024 -7.662 6.973 162 H LEU 22 HN LEU 22 -11.280 -6.269 -0.420 163 HA LEU 22 HA LEU 22 -9.062 -6.523 -2.171 164 1HB LEU 22 HB2 LEU 22 -10.641 -4.263 -1.038 165 2HB LEU 22 HB1 LEU 22 -9.050 -3.826 -1.625 166 HG LEU 22 HG LEU 22 -11.162 -5.280 -3.236 167 1HD1 LEU 22 HD13 LEU 22 -10.185 -2.402 -3.249 168 2HD1 LEU 22 HD12 LEU 22 -11.283 -3.090 -4.443 169 3HD1 LEU 22 HD11 LEU 22 -11.784 -2.957 -2.756 170 1HD2 LEU 22 HD21 LEU 22 -8.273 -4.603 -3.683 171 2HD2 LEU 22 HD23 LEU 22 -9.243 -5.900 -4.379 172 3HD2 LEU 22 HD22 LEU 22 -9.354 -4.276 -5.029 173 H VAL 23 HN VAL 23 -6.938 -5.489 -1.972 174 HA VAL 23 HA VAL 23 -5.944 -5.034 0.775 175 HB VAL 23 HB VAL 23 -4.803 -7.111 -1.115 176 1HG1 VAL 23 HG12 VAL 23 -3.787 -5.952 1.492 177 2HG1 VAL 23 HG11 VAL 23 -3.211 -7.488 0.845 178 3HG1 VAL 23 HG13 VAL 23 -2.955 -5.997 -0.063 179 1HG2 VAL 23 HG21 VAL 23 -6.202 -7.250 1.553 180 2HG2 VAL 23 HG23 VAL 23 -6.645 -8.061 0.051 181 3HG2 VAL 23 HG22 VAL 23 -5.211 -8.574 0.940 182 H VAL 24 HN VAL 24 -5.175 -2.994 0.431 183 HA VAL 24 HA VAL 24 -3.678 -2.441 -2.097 184 HB VAL 24 HB VAL 24 -4.724 -0.503 0.003 185 1HG1 VAL 24 HG12 VAL 24 -2.736 0.218 -1.414 186 2HG1 VAL 24 HG11 VAL 24 -3.777 0.037 -2.827 187 3HG1 VAL 24 HG13 VAL 24 -4.172 1.225 -1.587 188 1HG2 VAL 24 HG21 VAL 24 -5.895 -1.581 -2.561 189 2HG2 VAL 24 HG23 VAL 24 -6.673 -1.350 -0.996 190 3HG2 VAL 24 HG22 VAL 24 -6.311 0.041 -2.014 191 H VAL 25 HN VAL 25 -1.469 -2.025 -1.974 192 HA VAL 25 HA VAL 25 -0.242 -2.064 0.774 193 HB VAL 25 HB VAL 25 0.982 -3.040 -1.818 194 1HG1 VAL 25 HG12 VAL 25 2.486 -2.288 0.106 195 2HG1 VAL 25 HG11 VAL 25 1.806 -3.638 1.016 196 3HG1 VAL 25 HG13 VAL 25 2.716 -3.938 -0.461 197 1HG2 VAL 25 HG21 VAL 25 -1.029 -4.369 -1.052 198 2HG2 VAL 25 HG23 VAL 25 0.474 -5.284 -1.088 199 3HG2 VAL 25 HG22 VAL 25 -0.162 -4.692 0.447 200 H ASP 26 HN ASP 26 0.758 -0.212 1.306 201 HA ASP 26 HA ASP 26 1.489 1.719 -0.858 202 1HB ASP 26 HB2 ASP 26 0.086 2.555 1.002 203 2HB ASP 26 HB1 ASP 26 1.333 2.089 2.158 204 H PHE 27 HN PHE 27 3.578 1.732 -1.494 205 HA PHE 27 HA PHE 27 5.691 0.625 0.293 206 1HB PHE 27 HB2 PHE 27 5.595 1.248 -2.666 207 2HB PHE 27 HB1 PHE 27 7.089 0.810 -1.830 208 HD1 PHE 27 HD1 PHE 27 7.273 -1.392 -0.679 209 HD2 PHE 27 HD2 PHE 27 3.934 -0.407 -3.199 210 HE1 PHE 27 HE1 PHE 27 6.694 -3.797 -0.850 211 HE2 PHE 27 HE2 PHE 27 3.357 -2.810 -3.357 212 HZ PHE 27 HZ PHE 27 4.735 -4.506 -2.193 213 H SER 28 HN SER 28 4.446 3.385 0.551 214 HA SER 28 HA SER 28 6.275 5.345 -0.369 215 1HB SER 28 HB2 SER 28 4.639 5.381 2.180 216 2HB SER 28 HB1 SER 28 5.388 6.779 1.425 217 HG SER 28 HG SER 28 3.024 5.965 0.953 218 H ALA 29 HN ALA 29 8.040 6.342 0.595 219 HA ALA 29 HA ALA 29 9.593 4.629 2.423 220 1HB ALA 29 HB1 ALA 29 10.135 7.104 0.786 221 2HB ALA 29 HB3 ALA 29 11.229 6.689 2.105 222 3HB ALA 29 HB2 ALA 29 10.985 5.562 0.767 223 H THR 30 HN THR 30 9.499 4.953 4.615 224 HA THR 30 HA THR 30 7.897 7.086 5.703 225 HB THR 30 HB THR 30 8.162 4.968 6.905 226 HG1 THR 30 HG1 THR 30 9.354 7.165 8.239 227 1HG2 THR 30 HG23 THR 30 11.070 5.781 7.163 228 2HG2 THR 30 HG22 THR 30 10.322 4.399 7.964 229 3HG2 THR 30 HG21 THR 30 10.449 4.437 6.205 230 H TRP 31 HN TRP 31 11.358 6.651 5.126 231 HA TRP 31 HA TRP 31 12.193 8.982 6.634 232 1HB TRP 31 HB2 TRP 31 14.313 8.748 5.447 233 2HB TRP 31 HB1 TRP 31 13.745 7.161 5.966 234 HD1 TRP 31 HD1 TRP 31 13.254 5.411 4.179 235 HE1 TRP 31 HE1 TRP 31 13.454 5.327 1.609 236 HE3 TRP 31 HE3 TRP 31 13.981 10.362 3.194 237 HZ2 TRP 31 HZ2 TRP 31 13.830 7.131 -0.573 238 HZ3 TRP 31 HZ3 TRP 31 14.235 11.154 0.861 239 HH2 TRP 31 HH2 TRP 31 14.162 9.545 -1.022 240 H CYS 32 HN CYS 32 10.766 8.567 3.482 241 HA CYS 32 HA CYS 32 11.692 11.202 2.538 242 1HB CYS 32 HB2 CYS 32 11.253 9.160 1.034 243 2HB CYS 32 HB1 CYS 32 9.539 9.474 1.283 244 H GLY 33 HN GLY 33 10.806 12.939 3.449 245 1HA GLY 33 HA2 GLY 33 8.448 13.008 4.997 246 2HA GLY 33 HA1 GLY 33 9.226 14.426 4.305 247 HA PRO 34 HA PRO 34 6.208 15.049 1.133 248 1HB PRO 34 HB2 PRO 34 7.591 13.452 -0.976 249 2HB PRO 34 HB1 PRO 34 7.080 15.149 -1.004 250 1HG PRO 34 HG2 PRO 34 9.693 14.386 -0.744 251 2HG PRO 34 HG1 PRO 34 9.057 15.899 -0.074 252 1HD PRO 34 HD2 PRO 34 9.888 13.431 1.347 253 2HD PRO 34 HD1 PRO 34 9.727 15.087 1.983 254 H ALA 35 HN ALA 35 7.459 11.734 1.130 255 HA ALA 35 HA ALA 35 4.988 10.571 0.121 256 1HB ALA 35 HB2 ALA 35 7.497 9.678 0.096 257 2HB ALA 35 HB1 ALA 35 7.021 8.949 1.628 258 3HB ALA 35 HB3 ALA 35 6.143 8.554 0.148 259 H LYS 36 HN LYS 36 6.583 10.670 3.323 260 HA LYS 36 HA LYS 36 4.551 9.290 4.761 261 1HB LYS 36 HB2 LYS 36 6.852 9.863 5.621 262 2HB LYS 36 HB1 LYS 36 6.296 11.525 5.828 263 1HG LYS 36 HG2 LYS 36 4.449 10.676 7.289 264 2HG LYS 36 HG1 LYS 36 5.139 9.059 7.160 265 1HD LYS 36 HD2 LYS 36 7.225 9.835 8.185 266 2HD LYS 36 HD1 LYS 36 6.598 11.483 8.255 267 1HE LYS 36 HE2 LYS 36 4.802 10.771 9.757 268 2HE LYS 36 HE1 LYS 36 5.333 9.095 9.636 269 1HZ LYS 36 HZ1 LYS 36 7.398 10.955 10.424 270 2HZ LYS 36 HZ3 LYS 36 6.126 10.816 11.538 271 3HZ LYS 36 HZ2 LYS 36 6.998 9.435 11.068 272 H MET 37 HN MET 37 4.819 12.646 3.739 273 HA MET 37 HA MET 37 2.793 13.767 5.390 274 1HB MET 37 HB2 MET 37 4.385 15.038 3.873 275 2HB MET 37 HB1 MET 37 3.370 14.558 2.517 276 1HG MET 37 HG2 MET 37 1.407 15.598 3.763 277 2HG MET 37 HG1 MET 37 2.585 16.270 4.890 278 1HE MET 37 HE1 MET 37 1.434 18.409 4.391 279 2HE MET 37 HE3 MET 37 1.713 19.439 2.981 280 3HE MET 37 HE2 MET 37 0.519 18.145 2.909 281 H ILE 38 HN ILE 38 2.629 11.753 2.548 282 HA ILE 38 HA ILE 38 -0.210 12.233 2.044 283 HB ILE 38 HB ILE 38 1.446 9.942 0.942 284 1HG1 ILE 38 HG12 ILE 38 1.162 12.704 -0.284 285 2HG1 ILE 38 HG11 ILE 38 2.565 12.215 0.660 286 1HG2 ILE 38 HG23 ILE 38 -1.039 11.429 0.041 287 2HG2 ILE 38 HG22 ILE 38 -0.113 10.383 -1.030 288 3HG2 ILE 38 HG21 ILE 38 -0.873 9.713 0.407 289 1HD1 ILE 38 HD13 ILE 38 2.830 10.254 -0.888 290 2HD1 ILE 38 HD12 ILE 38 1.579 10.968 -1.906 291 3HD1 ILE 38 HD11 ILE 38 3.101 11.824 -1.640 292 H LYS 39 HN LYS 39 1.396 10.301 4.355 293 HA LYS 39 HA LYS 39 -0.155 7.950 4.169 294 1HB LYS 39 HB2 LYS 39 0.605 7.301 6.285 295 2HB LYS 39 HB1 LYS 39 1.902 8.278 5.616 296 1HG LYS 39 HG2 LYS 39 1.463 10.082 7.071 297 2HG LYS 39 HG1 LYS 39 -0.170 9.537 7.445 298 1HD LYS 39 HD2 LYS 39 2.322 8.004 8.202 299 2HD LYS 39 HD1 LYS 39 1.536 9.168 9.266 300 1HE LYS 39 HE2 LYS 39 0.137 7.518 9.960 301 2HE LYS 39 HE1 LYS 39 -0.519 7.409 8.328 302 1HZ LYS 39 HZ3 LYS 39 1.997 6.160 8.403 303 2HZ LYS 39 HZ2 LYS 39 1.047 5.547 9.671 304 3HZ LYS 39 HZ1 LYS 39 0.481 5.474 8.072 305 HA PRO 40 HA PRO 40 -3.298 10.007 7.299 306 1HB PRO 40 HB2 PRO 40 -3.740 12.509 5.736 307 2HB PRO 40 HB1 PRO 40 -3.679 12.275 7.494 308 1HG PRO 40 HG2 PRO 40 -1.673 13.488 6.201 309 2HG PRO 40 HG1 PRO 40 -1.353 12.399 7.560 310 1HD PRO 40 HD2 PRO 40 -1.050 11.888 4.631 311 2HD PRO 40 HD1 PRO 40 -0.008 11.338 5.959 312 H PHE 41 HN PHE 41 -3.366 10.716 3.785 313 HA PHE 41 HA PHE 41 -6.205 10.219 3.545 314 1HB PHE 41 HB2 PHE 41 -3.949 10.111 1.519 315 2HB PHE 41 HB1 PHE 41 -5.647 9.921 1.109 316 HD1 PHE 41 HD2 PHE 41 -3.242 12.275 2.727 317 HD2 PHE 41 HD1 PHE 41 -7.032 11.778 0.767 318 HE1 PHE 41 HE2 PHE 41 -3.521 14.741 2.646 319 HE2 PHE 41 HE1 PHE 41 -7.314 14.242 0.690 320 HZ PHE 41 HZ PHE 41 -5.559 15.724 1.627 321 H PHE 42 HN PHE 42 -3.333 8.251 2.789 322 HA PHE 42 HA PHE 42 -4.715 5.868 2.074 323 1HB PHE 42 HB2 PHE 42 -2.322 6.281 1.630 324 2HB PHE 42 HB1 PHE 42 -1.989 6.236 3.365 325 HD1 PHE 42 HD1 PHE 42 -3.268 4.216 0.512 326 HD2 PHE 42 HD2 PHE 42 -1.697 4.170 4.511 327 HE1 PHE 42 HE1 PHE 42 -3.084 1.747 0.412 328 HE2 PHE 42 HE2 PHE 42 -1.513 1.698 4.410 329 HZ PHE 42 HZ PHE 42 -2.209 0.486 2.360 330 H HIS 43 HN HIS 43 -3.298 6.855 5.181 331 HA HIS 43 HA HIS 43 -4.231 4.583 6.670 332 1HB HIS 43 HB2 HIS 43 -2.333 5.948 7.385 333 2HB HIS 43 HB1 HIS 43 -3.381 7.353 7.580 334 HD1 HIS 43 HD1 HIS 43 -2.337 4.190 9.228 335 HD2 HIS 43 HD2 HIS 43 -5.177 7.173 9.809 336 HE1 HIS 43 HE1 HIS 43 -3.322 3.798 11.531 337 H SER 44 HN SER 44 -5.554 7.893 6.318 338 HA SER 44 HA SER 44 -7.713 7.559 8.152 339 1HB SER 44 HB2 SER 44 -7.566 9.324 5.699 340 2HB SER 44 HB1 SER 44 -8.781 9.448 6.962 341 HG SER 44 HG SER 44 -6.415 9.370 8.136 342 H LEU 45 HN LEU 45 -7.432 6.816 4.710 343 HA LEU 45 HA LEU 45 -10.178 6.292 4.209 344 1HB LEU 45 HB2 LEU 45 -7.660 5.230 2.950 345 2HB LEU 45 HB1 LEU 45 -9.247 4.770 2.362 346 HG LEU 45 HG LEU 45 -8.514 7.686 2.701 347 1HD1 LEU 45 HD12 LEU 45 -7.976 5.923 0.290 348 2HD1 LEU 45 HD11 LEU 45 -7.898 7.684 0.276 349 3HD1 LEU 45 HD13 LEU 45 -6.768 6.759 1.264 350 1HD2 LEU 45 HD22 LEU 45 -10.585 6.123 1.142 351 2HD2 LEU 45 HD21 LEU 45 -10.829 7.429 2.299 352 3HD2 LEU 45 HD23 LEU 45 -10.169 7.779 0.707 353 H SER 46 HN SER 46 -7.757 4.389 5.844 354 HA SER 46 HA SER 46 -8.774 1.792 5.569 355 1HB SER 46 HB2 SER 46 -7.736 3.063 8.124 356 2HB SER 46 HB1 SER 46 -7.843 1.336 7.801 357 HG SER 46 HG SER 46 -6.166 1.456 6.503 358 H GLU 47 HN GLU 47 -9.905 4.436 7.624 359 HA GLU 47 HA GLU 47 -12.035 2.756 8.778 360 1HB GLU 47 HB2 GLU 47 -11.311 5.693 9.059 361 2HB GLU 47 HB1 GLU 47 -12.689 4.952 9.869 362 1HG GLU 47 HG2 GLU 47 -10.929 4.877 11.464 363 2HG GLU 47 HG1 GLU 47 -11.020 3.242 10.813 364 H LYS 48 HN LYS 48 -11.585 4.777 6.002 365 HA LYS 48 HA LYS 48 -14.414 5.491 5.736 366 1HB LYS 48 HB2 LYS 48 -12.578 6.861 4.687 367 2HB LYS 48 HB1 LYS 48 -12.272 5.515 3.586 368 1HG LYS 48 HG2 LYS 48 -14.676 5.627 2.873 369 2HG LYS 48 HG1 LYS 48 -14.852 7.078 3.857 370 1HD LYS 48 HD2 LYS 48 -13.036 8.152 2.542 371 2HD LYS 48 HD1 LYS 48 -12.966 6.716 1.519 372 1HE LYS 48 HE2 LYS 48 -15.356 7.029 0.940 373 2HE LYS 48 HE1 LYS 48 -15.384 8.495 1.921 374 1HZ LYS 48 HZ3 LYS 48 -13.202 8.542 0.119 375 2HZ LYS 48 HZ2 LYS 48 -14.651 8.273 -0.727 376 3HZ LYS 48 HZ1 LYS 48 -14.487 9.638 0.271 377 H TYR 49 HN TYR 49 -12.184 3.047 4.550 378 HA TYR 49 HA TYR 49 -14.536 1.468 3.517 379 1HB TYR 49 HB2 TYR 49 -11.678 1.529 2.457 380 2HB TYR 49 HB1 TYR 49 -12.912 0.383 1.940 381 HD1 TYR 49 HD2 TYR 49 -15.130 1.356 1.017 382 HD2 TYR 49 HD1 TYR 49 -11.509 3.635 1.400 383 HE1 TYR 49 HE2 TYR 49 -16.000 3.011 -0.610 384 HE2 TYR 49 HE1 TYR 49 -12.380 5.289 -0.226 385 HH TYR 49 HH TYR 49 -15.349 4.730 -2.010 386 H SER 50 HN SER 50 -14.378 1.024 5.956 387 HA SER 50 HA SER 50 -12.233 -0.508 7.043 388 1HB SER 50 HB2 SER 50 -13.741 -0.980 8.851 389 2HB SER 50 HB1 SER 50 -14.110 0.647 8.307 390 HG SER 50 HG SER 50 -15.703 -1.495 8.383 391 H ASN 51 HN ASN 51 -14.484 -1.256 4.648 392 HA ASN 51 HA ASN 51 -14.519 -4.167 5.201 393 1HB ASN 51 HB2 ASN 51 -16.526 -2.878 4.274 394 2HB ASN 51 HB1 ASN 51 -15.615 -2.730 2.772 395 1HD2 ASN 51 HD22 ASN 51 -16.442 -5.975 1.714 396 2HD2 ASN 51 HD21 ASN 51 -15.859 -4.432 1.316 397 H VAL 52 HN VAL 52 -12.262 -2.182 4.164 398 HA VAL 52 HA VAL 52 -11.152 -4.102 2.161 399 HB VAL 52 HB VAL 52 -10.930 -1.070 2.169 400 1HG1 VAL 52 HG11 VAL 52 -9.442 -3.217 0.657 401 2HG1 VAL 52 HG13 VAL 52 -9.652 -1.607 -0.034 402 3HG1 VAL 52 HG12 VAL 52 -8.795 -1.808 1.494 403 1HG2 VAL 52 HG21 VAL 52 -12.175 -3.061 0.247 404 2HG2 VAL 52 HG23 VAL 52 -13.016 -1.828 1.183 405 3HG2 VAL 52 HG22 VAL 52 -11.934 -1.354 -0.126 406 H ILE 53 HN ILE 53 -8.903 -4.540 2.475 407 HA ILE 53 HA ILE 53 -7.883 -3.688 5.159 408 HB ILE 53 HB ILE 53 -6.750 -5.814 3.322 409 1HG1 ILE 53 HG12 ILE 53 -9.046 -6.463 3.778 410 2HG1 ILE 53 HG11 ILE 53 -7.991 -7.426 4.807 411 1HG2 ILE 53 HG22 ILE 53 -5.390 -4.840 5.246 412 2HG2 ILE 53 HG21 ILE 53 -6.584 -5.541 6.331 413 3HG2 ILE 53 HG23 ILE 53 -5.624 -6.585 5.286 414 1HD1 ILE 53 HD11 ILE 53 -8.390 -5.640 6.615 415 2HD1 ILE 53 HD13 ILE 53 -9.707 -5.066 5.591 416 3HD1 ILE 53 HD12 ILE 53 -9.744 -6.706 6.236 417 H PHE 54 HN PHE 54 -6.398 -2.045 5.188 418 HA PHE 54 HA PHE 54 -4.812 -1.478 2.703 419 1HB PHE 54 HB2 PHE 54 -5.327 0.189 5.186 420 2HB PHE 54 HB1 PHE 54 -4.298 0.691 3.849 421 HD1 PHE 54 HD1 PHE 54 -7.774 -0.419 4.650 422 HD2 PHE 54 HD2 PHE 54 -5.240 1.780 1.971 423 HE1 PHE 54 HE1 PHE 54 -9.775 0.481 3.492 424 HE2 PHE 54 HE2 PHE 54 -7.241 2.668 0.803 425 HZ PHE 54 HZ PHE 54 -9.506 2.019 1.567 426 H LEU 55 HN LEU 55 -2.643 -2.004 2.701 427 HA LEU 55 HA LEU 55 -1.303 -2.598 5.323 428 1HB LEU 55 HB2 LEU 55 -0.771 -3.664 2.542 429 2HB LEU 55 HB1 LEU 55 0.427 -3.798 3.830 430 HG LEU 55 HG LEU 55 -1.015 -5.184 5.144 431 1HD1 LEU 55 HD12 LEU 55 -3.166 -4.316 3.221 432 2HD1 LEU 55 HD11 LEU 55 -3.332 -5.798 4.160 433 3HD1 LEU 55 HD13 LEU 55 -3.156 -4.254 4.988 434 1HD2 LEU 55 HD23 LEU 55 -1.116 -5.938 2.211 435 2HD2 LEU 55 HD22 LEU 55 0.093 -6.417 3.403 436 3HD2 LEU 55 HD21 LEU 55 -1.553 -7.040 3.516 437 H GLU 56 HN GLU 56 0.600 -1.574 5.812 438 HA GLU 56 HA GLU 56 1.516 0.574 3.928 439 1HB GLU 56 HB2 GLU 56 0.663 1.319 6.184 440 2HB GLU 56 HB1 GLU 56 1.962 0.384 6.926 441 1HG GLU 56 HG2 GLU 56 3.608 1.710 5.562 442 2HG GLU 56 HG1 GLU 56 2.267 2.724 5.022 443 H VAL 57 HN VAL 57 3.617 0.367 3.164 444 HA VAL 57 HA VAL 57 5.371 -1.678 4.502 445 HB VAL 57 HB VAL 57 5.085 -1.255 1.516 446 1HG1 VAL 57 HG12 VAL 57 6.589 -3.282 3.186 447 2HG1 VAL 57 HG11 VAL 57 6.399 -3.363 1.436 448 3HG1 VAL 57 HG13 VAL 57 7.305 -2.035 2.161 449 1HG2 VAL 57 HG22 VAL 57 4.023 -3.398 3.370 450 2HG2 VAL 57 HG21 VAL 57 3.076 -2.290 2.376 451 3HG2 VAL 57 HG23 VAL 57 4.059 -3.542 1.613 452 H ASP 58 HN ASP 58 7.389 -0.992 4.915 453 HA ASP 58 HA ASP 58 8.272 1.689 3.964 454 1HB ASP 58 HB2 ASP 58 8.376 0.989 6.413 455 2HB ASP 58 HB1 ASP 58 9.619 -0.176 5.928 456 H VAL 59 HN VAL 59 9.563 1.696 2.156 457 HA VAL 59 HA VAL 59 10.656 -0.758 1.079 458 HB VAL 59 HB VAL 59 11.845 0.751 -0.477 459 1HG1 VAL 59 HG13 VAL 59 8.954 1.373 0.162 460 2HG1 VAL 59 HG12 VAL 59 9.754 1.977 -1.288 461 3HG1 VAL 59 HG11 VAL 59 9.567 0.241 -1.040 462 1HG2 VAL 59 HG22 VAL 59 10.768 2.918 1.342 463 2HG2 VAL 59 HG21 VAL 59 12.465 2.540 1.041 464 3HG2 VAL 59 HG23 VAL 59 11.469 3.212 -0.250 465 H ASP 60 HN ASP 60 11.700 1.521 3.451 466 HA ASP 60 HA ASP 60 14.537 0.701 3.239 467 1HB ASP 60 HB2 ASP 60 12.997 2.765 4.787 468 2HB ASP 60 HB1 ASP 60 14.636 2.350 5.258 469 H ASP 61 HN ASP 61 11.856 0.338 5.624 470 HA ASP 61 HA ASP 61 13.653 -1.435 7.235 471 1HB ASP 61 HB2 ASP 61 10.828 -0.469 7.812 472 2HB ASP 61 HB1 ASP 61 11.817 -1.455 8.888 473 H ALA 62 HN ALA 62 11.280 -1.523 4.826 474 HA ALA 62 HA ALA 62 10.909 -4.468 5.207 475 1HB ALA 62 HB2 ALA 62 8.874 -2.659 5.402 476 2HB ALA 62 HB1 ALA 62 8.837 -2.966 3.668 477 3HB ALA 62 HB3 ALA 62 8.643 -4.301 4.806 478 H GLN 63 HN GLN 63 13.030 -3.207 3.828 479 HA GLN 63 HA GLN 63 12.615 -2.831 1.046 480 1HB GLN 63 HB2 GLN 63 15.017 -3.132 0.816 481 2HB GLN 63 HB1 GLN 63 14.717 -2.263 2.322 482 1HG GLN 63 HG2 GLN 63 14.759 -4.534 3.484 483 2HG GLN 63 HG1 GLN 63 15.386 -5.191 1.973 484 1HE2 GLN 63 HE22 GLN 63 18.653 -4.307 2.931 485 2HE2 GLN 63 HE21 GLN 63 17.613 -5.465 2.255 486 H ASP 64 HN ASP 64 12.833 -5.777 2.946 487 HA ASP 64 HA ASP 64 13.422 -7.555 0.788 488 1HB ASP 64 HB2 ASP 64 12.315 -9.291 2.266 489 2HB ASP 64 HB1 ASP 64 13.623 -8.393 3.029 490 H VAL 65 HN VAL 65 10.374 -6.170 1.987 491 HA VAL 65 HA VAL 65 8.710 -7.816 0.275 492 HB VAL 65 HB VAL 65 7.926 -5.075 1.292 493 1HG1 VAL 65 HG11 VAL 65 6.382 -6.330 -0.196 494 2HG1 VAL 65 HG13 VAL 65 6.400 -7.677 0.945 495 3HG1 VAL 65 HG12 VAL 65 5.709 -6.125 1.423 496 1HG2 VAL 65 HG21 VAL 65 8.238 -7.637 2.852 497 2HG2 VAL 65 HG23 VAL 65 8.863 -6.041 3.245 498 3HG2 VAL 65 HG22 VAL 65 7.133 -6.366 3.365 499 H ALA 66 HN ALA 66 10.018 -4.503 0.045 500 HA ALA 66 HA ALA 66 8.746 -3.964 -2.487 501 1HB ALA 66 HB2 ALA 66 9.687 -2.293 -0.723 502 2HB ALA 66 HB1 ALA 66 11.220 -2.525 -1.563 503 3HB ALA 66 HB3 ALA 66 9.819 -1.899 -2.435 504 H SER 67 HN SER 67 11.957 -5.149 -1.554 505 HA SER 67 HA SER 67 13.144 -4.978 -4.145 506 1HB SER 67 HB2 SER 67 14.706 -6.701 -3.335 507 2HB SER 67 HB1 SER 67 14.437 -5.483 -2.093 508 HG SER 67 HG SER 67 14.083 -8.069 -1.891 509 H GLU 68 HN GLU 68 11.010 -7.330 -2.651 510 HA GLU 68 HA GLU 68 11.241 -9.396 -4.593 511 1HB GLU 68 HB2 GLU 68 10.047 -9.558 -2.373 512 2HB GLU 68 HB1 GLU 68 8.735 -8.612 -3.078 513 1HG GLU 68 HG2 GLU 68 8.633 -10.365 -4.927 514 2HG GLU 68 HG1 GLU 68 9.710 -11.342 -3.931 515 H ALA 69 HN ALA 69 9.217 -6.479 -4.463 516 HA ALA 69 HA ALA 69 7.990 -7.141 -7.061 517 1HB ALA 69 HB2 ALA 69 6.709 -6.096 -5.134 518 2HB ALA 69 HB1 ALA 69 7.610 -4.614 -5.451 519 3HB ALA 69 HB3 ALA 69 6.543 -5.279 -6.689 520 H GLU 70 HN GLU 70 10.929 -5.923 -6.299 521 HA GLU 70 HA GLU 70 12.434 -4.518 -7.441 522 1HB GLU 70 HB2 GLU 70 10.561 -5.345 -9.672 523 2HB GLU 70 HB1 GLU 70 12.042 -4.435 -9.947 524 1HG GLU 70 HG2 GLU 70 12.593 -6.732 -10.277 525 2HG GLU 70 HG1 GLU 70 13.265 -6.288 -8.711 526 H VAL 71 HN VAL 71 10.663 -2.967 -6.014 527 HA VAL 71 HA VAL 71 9.173 -1.114 -7.633 528 HB VAL 71 HB VAL 71 10.439 -0.562 -4.925 529 1HG1 VAL 71 HG11 VAL 71 8.095 0.612 -6.456 530 2HG1 VAL 71 HG13 VAL 71 8.383 0.921 -4.746 531 3HG1 VAL 71 HG12 VAL 71 9.566 1.442 -5.951 532 1HG2 VAL 71 HG22 VAL 71 7.879 -1.991 -5.714 533 2HG2 VAL 71 HG21 VAL 71 9.169 -2.578 -4.665 534 3HG2 VAL 71 HG23 VAL 71 8.105 -1.284 -4.115 535 H LYS 72 HN LYS 72 9.866 0.611 -8.781 536 HA LYS 72 HA LYS 72 12.764 1.270 -8.695 537 1HB LYS 72 HB2 LYS 72 10.670 1.832 -10.805 538 2HB LYS 72 HB1 LYS 72 12.372 2.261 -10.929 539 1HG LYS 72 HG2 LYS 72 11.443 -0.597 -10.484 540 2HG LYS 72 HG1 LYS 72 11.684 0.082 -12.091 541 1HD LYS 72 HD2 LYS 72 14.057 0.701 -11.299 542 2HD LYS 72 HD1 LYS 72 13.752 -0.371 -9.932 543 1HE LYS 72 HE2 LYS 72 13.618 -1.141 -12.857 544 2HE LYS 72 HE1 LYS 72 14.871 -1.617 -11.710 545 1HZ LYS 72 HZ3 LYS 72 12.807 -2.459 -10.371 546 2HZ LYS 72 HZ2 LYS 72 12.087 -2.510 -11.910 547 3HZ LYS 72 HZ1 LYS 72 13.493 -3.412 -11.596 548 H ALA 73 HN ALA 73 9.752 2.468 -7.645 549 HA ALA 73 HA ALA 73 11.019 4.977 -6.857 550 1HB ALA 73 HB3 ALA 73 10.283 5.269 -9.287 551 2HB ALA 73 HB2 ALA 73 8.632 5.243 -8.664 552 3HB ALA 73 HB1 ALA 73 9.759 6.493 -8.133 553 H THR 74 HN THR 74 9.726 6.247 -5.409 554 HA THR 74 HA THR 74 7.260 4.906 -4.357 555 HB THR 74 HB THR 74 7.962 5.461 -2.090 556 HG1 THR 74 HG1 THR 74 10.402 6.466 -2.787 557 1HG2 THR 74 HG22 THR 74 10.304 4.371 -3.640 558 2HG2 THR 74 HG21 THR 74 10.103 4.255 -1.895 559 3HG2 THR 74 HG23 THR 74 8.976 3.427 -2.970 560 HA PRO 75 HA PRO 75 5.847 5.603 -2.640 561 1HB PRO 75 HB2 PRO 75 3.253 6.565 -2.676 562 2HB PRO 75 HB1 PRO 75 4.495 7.092 -1.533 563 1HG PRO 75 HG2 PRO 75 3.368 8.536 -3.857 564 2HG PRO 75 HG1 PRO 75 4.163 9.176 -2.413 565 1HD PRO 75 HD2 PRO 75 5.316 8.891 -5.012 566 2HD PRO 75 HD1 PRO 75 6.169 9.355 -3.513 567 H THR 76 HN THR 76 4.962 3.680 -3.329 568 HA THR 76 HA THR 76 3.516 3.682 -5.958 569 HB THR 76 HB THR 76 5.434 1.564 -4.966 570 HG1 THR 76 HG1 THR 76 6.209 2.452 -7.237 571 1HG2 THR 76 HG22 THR 76 3.626 1.790 -7.369 572 2HG2 THR 76 HG21 THR 76 5.044 0.743 -7.371 573 3HG2 THR 76 HG23 THR 76 3.745 0.464 -6.212 574 H PHE 77 HN PHE 77 1.607 2.710 -5.923 575 HA PHE 77 HA PHE 77 0.792 1.248 -3.439 576 1HB PHE 77 HB2 PHE 77 -0.908 2.673 -5.513 577 2HB PHE 77 HB1 PHE 77 -1.509 1.884 -4.053 578 HD1 PHE 77 HD1 PHE 77 -0.993 2.823 -1.805 579 HD2 PHE 77 HD2 PHE 77 0.223 4.791 -5.426 580 HE1 PHE 77 HE1 PHE 77 -0.560 4.908 -0.527 581 HE2 PHE 77 HE2 PHE 77 0.653 6.875 -4.151 582 HZ PHE 77 HZ PHE 77 0.260 6.935 -1.701 583 H GLN 78 HN GLN 78 0.236 -0.878 -3.658 584 HA GLN 78 HA GLN 78 -0.228 -1.943 -6.441 585 1HB GLN 78 HB2 GLN 78 1.205 -3.231 -4.102 586 2HB GLN 78 HB1 GLN 78 0.710 -4.109 -5.545 587 1HG GLN 78 HG2 GLN 78 2.030 -2.502 -6.919 588 2HG GLN 78 HG1 GLN 78 2.605 -1.745 -5.437 589 1HE2 GLN 78 HE22 GLN 78 5.335 -4.010 -5.741 590 2HE2 GLN 78 HE21 GLN 78 4.838 -2.395 -5.906 591 H PHE 79 HN PHE 79 -1.957 -3.240 -6.690 592 HA PHE 79 HA PHE 79 -3.755 -3.557 -4.307 593 1HB PHE 79 HB2 PHE 79 -4.325 -3.474 -7.281 594 2HB PHE 79 HB1 PHE 79 -5.539 -3.828 -6.045 595 HD1 PHE 79 HD2 PHE 79 -3.050 -1.307 -7.160 596 HD2 PHE 79 HD1 PHE 79 -6.535 -2.073 -4.772 597 HE1 PHE 79 HE2 PHE 79 -3.280 1.118 -6.727 598 HE2 PHE 79 HE1 PHE 79 -6.767 0.357 -4.332 599 HZ PHE 79 HZ PHE 79 -5.144 1.951 -5.308 600 H PHE 80 HN PHE 80 -4.197 -5.539 -3.606 601 HA PHE 80 HA PHE 80 -3.566 -7.874 -5.353 602 1HB PHE 80 HB2 PHE 80 -2.976 -7.444 -2.431 603 2HB PHE 80 HB1 PHE 80 -3.006 -9.050 -3.147 604 HD1 PHE 80 HD1 PHE 80 -1.360 -9.683 -4.873 605 HD2 PHE 80 HD2 PHE 80 -1.178 -5.861 -2.896 606 HE1 PHE 80 HE1 PHE 80 0.982 -9.396 -5.634 607 HE2 PHE 80 HE2 PHE 80 1.162 -5.584 -3.664 608 HZ PHE 80 HZ PHE 80 2.242 -7.349 -5.029 609 H LYS 81 HN LYS 81 -4.998 -9.658 -5.152 610 HA LYS 81 HA LYS 81 -7.310 -9.376 -3.312 611 1HB LYS 81 HB2 LYS 81 -7.737 -8.246 -5.640 612 2HB LYS 81 HB1 LYS 81 -7.816 -9.899 -6.249 613 1HG LYS 81 HG2 LYS 81 -9.551 -10.372 -4.463 614 2HG LYS 81 HG1 LYS 81 -9.560 -8.652 -4.104 615 1HD LYS 81 HD2 LYS 81 -10.007 -9.605 -6.933 616 2HD LYS 81 HD1 LYS 81 -11.335 -9.600 -5.779 617 1HE LYS 81 HE2 LYS 81 -10.990 -7.201 -5.361 618 2HE LYS 81 HE1 LYS 81 -9.634 -7.189 -6.487 619 1HZ LYS 81 HZ3 LYS 81 -11.701 -8.340 -7.874 620 2HZ LYS 81 HZ2 LYS 81 -12.422 -7.054 -7.032 621 3HZ LYS 81 HZ1 LYS 81 -11.108 -6.762 -8.068 622 H LYS 82 HN LYS 82 -7.689 -11.403 -2.480 623 HA LYS 82 HA LYS 82 -7.495 -13.731 -2.209 624 1HB LYS 82 HB2 LYS 82 -7.621 -13.694 -5.246 625 2HB LYS 82 HB1 LYS 82 -7.847 -15.111 -4.227 626 1HG LYS 82 HG2 LYS 82 -9.734 -13.839 -3.094 627 2HG LYS 82 HG1 LYS 82 -9.598 -12.655 -4.394 628 1HD LYS 82 HD2 LYS 82 -9.975 -14.426 -6.061 629 2HD LYS 82 HD1 LYS 82 -10.097 -15.617 -4.768 630 1HE LYS 82 HE2 LYS 82 -11.898 -13.215 -4.663 631 2HE LYS 82 HE1 LYS 82 -12.285 -14.519 -5.786 632 1HZ LYS 82 HZ2 LYS 82 -11.544 -15.348 -3.110 633 2HZ LYS 82 HZ1 LYS 82 -13.021 -14.516 -3.236 634 3HZ LYS 82 HZ3 LYS 82 -12.768 -15.932 -4.133 635 H GLY 83 HN GLY 83 -5.089 -12.101 -2.403 636 1HA GLY 83 HA2 GLY 83 -2.792 -12.529 -2.339 637 2HA GLY 83 HA1 GLY 83 -3.153 -14.224 -2.658 638 H GLN 84 HN GLN 84 -4.386 -11.767 -4.811 639 HA GLN 84 HA GLN 84 -2.268 -12.441 -6.804 640 1HB GLN 84 HB2 GLN 84 -5.265 -12.346 -7.226 641 2HB GLN 84 HB1 GLN 84 -4.112 -12.329 -8.555 642 1HG GLN 84 HG2 GLN 84 -4.137 -14.492 -6.435 643 2HG GLN 84 HG1 GLN 84 -5.041 -14.619 -7.944 644 1HE2 GLN 84 HE22 GLN 84 -1.306 -13.992 -9.175 645 2HE2 GLN 84 HE21 GLN 84 -2.356 -12.772 -8.628 646 H LYS 85 HN LYS 85 -1.446 -10.706 -7.952 647 HA LYS 85 HA LYS 85 -2.183 -8.003 -7.127 648 1HB LYS 85 HB2 LYS 85 0.135 -8.621 -7.771 649 2HB LYS 85 HB1 LYS 85 -0.418 -8.896 -9.421 650 1HG LYS 85 HG2 LYS 85 -1.123 -6.545 -9.595 651 2HG LYS 85 HG1 LYS 85 -0.638 -6.265 -7.925 652 1HD LYS 85 HD2 LYS 85 1.193 -5.477 -9.232 653 2HD LYS 85 HD1 LYS 85 1.702 -7.049 -8.624 654 1HE LYS 85 HE2 LYS 85 1.325 -8.106 -10.723 655 2HE LYS 85 HE1 LYS 85 0.389 -6.740 -11.332 656 1HZ LYS 85 HZ3 LYS 85 2.456 -5.396 -11.123 657 2HZ LYS 85 HZ2 LYS 85 3.302 -6.828 -10.777 658 3HZ LYS 85 HZ1 LYS 85 2.542 -6.629 -12.283 659 H VAL 86 HN VAL 86 -3.654 -6.699 -8.038 660 HA VAL 86 HA VAL 86 -4.763 -7.421 -10.728 661 HB VAL 86 HB VAL 86 -6.905 -6.403 -9.874 662 1HG1 VAL 86 HG13 VAL 86 -6.361 -8.901 -9.870 663 2HG1 VAL 86 HG12 VAL 86 -5.978 -8.717 -8.158 664 3HG1 VAL 86 HG11 VAL 86 -7.611 -8.386 -8.737 665 1HG2 VAL 86 HG21 VAL 86 -5.878 -5.093 -8.047 666 2HG2 VAL 86 HG23 VAL 86 -7.135 -6.168 -7.432 667 3HG2 VAL 86 HG22 VAL 86 -5.435 -6.590 -7.228 668 H GLY 87 HN GLY 87 -2.744 -5.239 -9.404 669 1HA GLY 87 HA2 GLY 87 -2.916 -3.340 -11.424 670 2HA GLY 87 HA1 GLY 87 -4.073 -2.775 -10.228 671 H GLU 88 HN GLU 88 -1.851 -1.289 -10.981 672 HA GLU 88 HA GLU 88 -0.661 -0.758 -8.397 673 1HB GLU 88 HB2 GLU 88 0.812 -2.576 -8.966 674 2HB GLU 88 HB1 GLU 88 1.042 -1.949 -10.592 675 1HG GLU 88 HG2 GLU 88 2.249 -0.022 -9.741 676 2HG GLU 88 HG1 GLU 88 1.872 -0.472 -8.076 677 H PHE 89 HN PHE 89 0.528 1.236 -8.418 678 HA PHE 89 HA PHE 89 1.000 2.682 -10.869 679 1HB PHE 89 HB2 PHE 89 -0.718 4.302 -10.850 680 2HB PHE 89 HB1 PHE 89 -1.550 2.780 -10.581 681 HD1 PHE 89 HD1 PHE 89 -0.096 5.722 -8.792 682 HD2 PHE 89 HD2 PHE 89 -2.902 2.474 -8.664 683 HE1 PHE 89 HE1 PHE 89 -1.077 6.652 -6.709 684 HE2 PHE 89 HE2 PHE 89 -3.878 3.402 -6.584 685 HZ PHE 89 HZ PHE 89 -2.974 5.493 -5.610 686 H SER 90 HN SER 90 1.965 4.787 -10.457 687 HA SER 90 HA SER 90 2.907 5.155 -7.631 688 1HB SER 90 HB2 SER 90 5.058 5.920 -8.539 689 2HB SER 90 HB1 SER 90 4.738 4.252 -9.015 690 HG SER 90 HG SER 90 4.818 6.590 -10.517 691 H GLY 91 HN GLY 91 3.568 7.360 -7.157 692 1HA GLY 91 HA2 GLY 91 3.588 9.725 -8.082 693 2HA GLY 91 HA1 GLY 91 2.007 9.365 -8.763 694 H ALA 92 HN ALA 92 2.910 11.321 -6.625 695 HA ALA 92 HA ALA 92 1.643 10.305 -4.189 696 1HB ALA 92 HB2 ALA 92 2.664 13.024 -5.044 697 2HB ALA 92 HB1 ALA 92 1.949 12.719 -3.460 698 3HB ALA 92 HB3 ALA 92 3.432 11.888 -3.935 699 H ASN 93 HN ASN 93 -0.325 9.799 -5.762 700 HA ASN 93 HA ASN 93 -2.211 12.140 -5.721 701 1HB ASN 93 HB2 ASN 93 -1.628 11.191 -8.001 702 2HB ASN 93 HB1 ASN 93 -2.383 9.682 -7.489 703 1HD2 ASN 93 HD22 ASN 93 -5.302 12.383 -7.087 704 2HD2 ASN 93 HD21 ASN 93 -4.036 12.204 -5.972 705 H LYS 94 HN LYS 94 -3.119 11.787 -3.708 706 HA LYS 94 HA LYS 94 -3.810 9.171 -2.690 707 1HB LYS 94 HB2 LYS 94 -5.086 10.512 -0.997 708 2HB LYS 94 HB1 LYS 94 -3.378 10.906 -1.126 709 1HG LYS 94 HG2 LYS 94 -5.014 12.537 -2.954 710 2HG LYS 94 HG1 LYS 94 -5.530 12.728 -1.284 711 1HD LYS 94 HD2 LYS 94 -3.116 13.159 -0.667 712 2HD LYS 94 HD1 LYS 94 -2.740 13.171 -2.393 713 1HE LYS 94 HE2 LYS 94 -4.292 15.021 -2.747 714 2HE LYS 94 HE1 LYS 94 -4.790 14.958 -1.056 715 1HZ LYS 94 HZ2 LYS 94 -2.251 15.263 -0.647 716 2HZ LYS 94 HZ1 LYS 94 -2.263 15.910 -2.217 717 3HZ LYS 94 HZ3 LYS 94 -3.221 16.610 -1.006 718 H GLU 95 HN GLU 95 -5.624 11.640 -4.476 719 HA GLU 95 HA GLU 95 -8.235 10.562 -4.094 720 1HB GLU 95 HB2 GLU 95 -7.091 12.040 -6.488 721 2HB GLU 95 HB1 GLU 95 -8.804 11.832 -6.137 722 1HG GLU 95 HG2 GLU 95 -6.869 13.164 -4.232 723 2HG GLU 95 HG1 GLU 95 -7.849 14.054 -5.396 724 H LYS 96 HN LYS 96 -5.597 9.687 -6.198 725 HA LYS 96 HA LYS 96 -6.982 8.116 -8.117 726 1HB LYS 96 HB2 LYS 96 -4.583 8.878 -8.147 727 2HB LYS 96 HB1 LYS 96 -4.218 7.604 -6.996 728 1HG LYS 96 HG2 LYS 96 -4.697 5.892 -8.538 729 2HG LYS 96 HG1 LYS 96 -5.604 6.971 -9.599 730 1HD LYS 96 HD2 LYS 96 -3.503 8.206 -10.102 731 2HD LYS 96 HD1 LYS 96 -2.609 7.062 -9.105 732 1HE LYS 96 HE2 LYS 96 -3.331 5.214 -10.577 733 2HE LYS 96 HE1 LYS 96 -4.232 6.359 -11.570 734 1HZ LYS 96 HZ3 LYS 96 -1.862 7.530 -11.543 735 2HZ LYS 96 HZ2 LYS 96 -1.364 5.914 -11.385 736 3HZ LYS 96 HZ1 LYS 96 -2.309 6.389 -12.715 737 H LEU 97 HN LEU 97 -5.747 7.349 -4.898 738 HA LEU 97 HA LEU 97 -6.158 4.533 -4.903 739 1HB LEU 97 HB2 LEU 97 -6.391 6.629 -2.725 740 2HB LEU 97 HB1 LEU 97 -6.530 4.914 -2.399 741 HG LEU 97 HG LEU 97 -4.136 6.177 -3.749 742 1HD1 LEU 97 HD11 LEU 97 -4.718 5.622 -0.838 743 2HD1 LEU 97 HD13 LEU 97 -3.066 5.712 -1.448 744 3HD1 LEU 97 HD12 LEU 97 -4.131 7.114 -1.573 745 1HD2 LEU 97 HD23 LEU 97 -4.847 3.404 -2.798 746 2HD2 LEU 97 HD22 LEU 97 -4.010 3.899 -4.265 747 3HD2 LEU 97 HD21 LEU 97 -3.166 3.920 -2.725 748 H GLU 98 HN GLU 98 -8.276 7.264 -4.241 749 HA GLU 98 HA GLU 98 -10.547 5.804 -3.319 750 1HB GLU 98 HB2 GLU 98 -10.299 8.280 -3.147 751 2HB GLU 98 HB1 GLU 98 -10.557 8.403 -4.886 752 1HG GLU 98 HG2 GLU 98 -12.785 7.309 -4.603 753 2HG GLU 98 HG1 GLU 98 -12.529 7.307 -2.857 754 H ALA 99 HN ALA 99 -9.668 6.783 -6.642 755 HA ALA 99 HA ALA 99 -12.077 5.624 -7.751 756 1HB ALA 99 HB2 ALA 99 -10.615 7.426 -8.823 757 2HB ALA 99 HB1 ALA 99 -9.511 6.124 -9.270 758 3HB ALA 99 HB3 ALA 99 -11.163 6.132 -9.889 759 H THR 100 HN THR 100 -8.701 4.434 -7.538 760 HA THR 100 HA THR 100 -9.195 2.036 -9.008 761 HB THR 100 HB THR 100 -7.208 2.319 -6.742 762 HG1 THR 100 HG1 THR 100 -5.828 3.138 -8.327 763 1HG2 THR 100 HG21 THR 100 -7.312 0.657 -9.272 764 2HG2 THR 100 HG23 THR 100 -5.928 0.732 -8.182 765 3HG2 THR 100 HG22 THR 100 -7.460 0.062 -7.618 766 H ILE 101 HN ILE 101 -9.498 2.769 -5.547 767 HA ILE 101 HA ILE 101 -10.074 0.098 -4.660 768 HB ILE 101 HB ILE 101 -10.922 2.813 -3.591 769 1HG1 ILE 101 HG12 ILE 101 -8.935 0.848 -2.426 770 2HG1 ILE 101 HG11 ILE 101 -8.450 2.043 -3.626 771 1HG2 ILE 101 HG21 ILE 101 -11.333 0.031 -2.463 772 2HG2 ILE 101 HG23 ILE 101 -11.362 1.477 -1.454 773 3HG2 ILE 101 HG22 ILE 101 -12.550 1.275 -2.743 774 1HD1 ILE 101 HD11 ILE 101 -9.451 3.819 -2.111 775 2HD1 ILE 101 HD13 ILE 101 -9.634 2.563 -0.888 776 3HD1 ILE 101 HD12 ILE 101 -8.029 3.007 -1.464 777 H ASN 102 HN ASN 102 -12.213 2.783 -5.573 778 HA ASN 102 HA ASN 102 -14.655 1.341 -5.342 779 1HB ASN 102 HB2 ASN 102 -14.501 3.818 -5.572 780 2HB ASN 102 HB1 ASN 102 -13.979 3.608 -7.245 781 1HD2 ASN 102 HD22 ASN 102 -17.889 3.590 -6.444 782 2HD2 ASN 102 HD21 ASN 102 -16.707 4.136 -5.355 783 H GLU 103 HN GLU 103 -12.279 1.619 -7.895 784 HA GLU 103 HA GLU 103 -13.816 0.411 -9.985 785 1HB GLU 103 HB2 GLU 103 -11.688 1.786 -10.209 786 2HB GLU 103 HB1 GLU 103 -10.807 0.367 -9.658 787 1HG GLU 103 HG2 GLU 103 -12.685 0.257 -12.026 788 2HG GLU 103 HG1 GLU 103 -10.975 0.653 -12.194 789 H LEU 104 HN LEU 104 -11.579 -0.958 -7.552 790 HA LEU 104 HA LEU 104 -12.166 -3.693 -8.594 791 1HB LEU 104 HB2 LEU 104 -10.154 -2.754 -6.543 792 2HB LEU 104 HB1 LEU 104 -10.314 -4.410 -7.130 793 HG LEU 104 HG LEU 104 -9.709 -2.033 -8.913 794 1HD1 LEU 104 HD12 LEU 104 -7.906 -3.993 -7.496 795 2HD1 LEU 104 HD11 LEU 104 -7.385 -3.131 -8.941 796 3HD1 LEU 104 HD13 LEU 104 -7.823 -2.237 -7.487 797 1HD2 LEU 104 HD21 LEU 104 -9.783 -5.036 -9.310 798 2HD2 LEU 104 HD23 LEU 104 -10.603 -3.793 -10.255 799 3HD2 LEU 104 HD22 LEU 104 -8.860 -3.989 -10.387 800 H VAL 105 HN VAL 105 -13.443 -1.650 -6.219 801 HA VAL 105 HA VAL 105 -13.657 -3.497 -4.027 802 HB VAL 105 HB VAL 105 -14.168 -1.005 -3.912 803 1HG1 VAL 105 HG12 VAL 105 -15.763 -1.186 -5.951 804 2HG1 VAL 105 HG11 VAL 105 -16.950 -1.777 -4.793 805 3HG1 VAL 105 HG13 VAL 105 -16.261 -0.165 -4.607 806 1HG2 VAL 105 HG22 VAL 105 -16.160 -3.009 -2.829 807 2HG2 VAL 105 HG21 VAL 105 -14.679 -2.461 -2.043 808 3HG2 VAL 105 HG23 VAL 105 -16.027 -1.344 -2.262 809 HA PRO 59 HA PRO 106 14.615 14.587 -13.970 810 1HB PRO 59 HB2 PRO 106 16.901 13.886 -12.540 811 2HB PRO 59 HB1 PRO 106 16.897 14.343 -14.252 812 1HG PRO 59 HG2 PRO 106 17.552 16.002 -11.859 813 2HG PRO 59 HG1 PRO 106 18.340 15.955 -13.446 814 1HD PRO 59 HD2 PRO 106 16.631 17.942 -12.775 815 2HD PRO 59 HD1 PRO 106 16.723 17.319 -14.436 816 H ALA 60 HN ALA 107 15.130 16.273 -10.914 817 HA ALA 60 HA ALA 107 14.101 13.947 -9.369 818 1HB ALA 60 HB1 ALA 107 16.057 15.286 -8.525 819 2HB ALA 60 HB3 ALA 107 14.978 16.670 -8.363 820 3HB ALA 60 HB2 ALA 107 14.706 15.221 -7.396 821 H THR 61 HN THR 108 11.967 13.809 -8.902 822 HA THR 61 HA THR 108 10.281 16.291 -9.120 823 HB THR 61 HB THR 108 9.360 13.405 -9.289 824 HG1 THR 61 HG1 THR 108 10.442 15.147 -11.171 825 1HG2 THR 61 HG23 THR 108 7.694 15.186 -8.686 826 2HG2 THR 61 HG22 THR 108 8.064 15.982 -10.216 827 3HG2 THR 61 HG21 THR 108 7.339 14.373 -10.210 828 H LEU 62 HN LEU 109 9.324 16.981 -7.247 829 HA LEU 62 HA LEU 109 9.914 15.741 -4.728 830 1HB LEU 62 HB2 LEU 109 7.869 17.836 -5.509 831 2HB LEU 62 HB1 LEU 109 8.180 17.362 -3.844 832 HG LEU 62 HG LEU 109 10.322 18.395 -5.725 833 1HD1 LEU 62 HD11 LEU 109 8.586 19.826 -3.701 834 2HD1 LEU 62 HD13 LEU 109 10.100 20.496 -4.308 835 3HD1 LEU 62 HD12 LEU 109 8.764 20.187 -5.419 836 1HD2 LEU 62 HD22 LEU 109 10.229 17.640 -2.803 837 2HD2 LEU 62 HD21 LEU 109 11.463 17.276 -4.007 838 3HD2 LEU 62 HD23 LEU 109 11.343 18.898 -3.336 839 H LYS 63 HN LYS 110 7.201 15.490 -6.935 840 HA LYS 63 HA LYS 110 5.343 14.234 -5.144 841 1HB LYS 63 HB2 LYS 110 5.624 13.915 -8.148 842 2HB LYS 63 HB1 LYS 110 4.206 13.476 -7.202 843 1HG LYS 63 HG2 LYS 110 5.337 16.268 -7.561 844 2HG LYS 63 HG1 LYS 110 3.842 15.645 -8.253 845 1HD LYS 63 HD2 LYS 110 3.160 15.185 -5.776 846 2HD LYS 63 HD1 LYS 110 4.452 16.317 -5.379 847 1HE LYS 63 HE2 LYS 110 2.075 16.886 -7.169 848 2HE LYS 63 HE1 LYS 110 2.345 17.531 -5.550 849 1HZ LYS 63 HZ3 LYS 110 4.637 18.147 -6.835 850 2HZ LYS 63 HZ2 LYS 110 3.481 18.345 -8.063 851 3HZ LYS 63 HZ1 LYS 110 3.334 19.208 -6.608 852 H ILE 64 HN ILE 111 8.220 13.113 -6.606 853 HA ILE 64 HA ILE 111 7.596 10.292 -5.766 854 HB ILE 64 HB ILE 111 9.134 11.232 -8.217 855 1HG1 ILE 64 HG12 ILE 111 6.717 11.252 -8.572 856 2HG1 ILE 64 HG11 ILE 111 7.431 9.912 -9.456 857 1HG2 ILE 64 HG23 ILE 111 8.865 8.517 -6.938 858 2HG2 ILE 64 HG22 ILE 111 9.249 8.701 -8.647 859 3HG2 ILE 64 HG21 ILE 111 10.335 9.359 -7.424 860 1HD1 ILE 64 HD12 ILE 111 6.865 8.599 -7.182 861 2HD1 ILE 64 HD11 ILE 111 5.656 9.870 -7.064 862 3HD1 ILE 64 HD13 ILE 111 5.673 8.801 -8.459 863 H CYS 65 HN CYS 112 9.292 9.269 -4.607 864 HA CYS 65 HA CYS 112 11.691 10.970 -4.025 865 1HB CYS 65 HB2 CYS 112 10.928 8.450 -2.531 866 2HB CYS 65 HB1 CYS 112 12.027 9.711 -2.015 867 H SER 66 HN SER 113 13.640 10.316 -4.889 868 HA SER 66 HA SER 113 13.679 7.978 -6.650 869 1HB SER 66 HB2 SER 113 15.850 9.950 -5.890 870 2HB SER 66 HB1 SER 113 16.000 8.726 -7.148 871 HG SER 66 HG SER 113 14.859 11.147 -7.261 872 H TRP 67 HN TRP 114 14.877 6.081 -6.396 873 HA TRP 67 HA TRP 114 15.510 5.269 -3.666 874 1HB TRP 67 HB2 TRP 114 15.809 3.899 -6.358 875 2HB TRP 67 HB1 TRP 114 16.240 3.130 -4.829 876 HD1 TRP 67 HD1 TRP 114 13.211 5.117 -6.157 877 HE1 TRP 67 HE1 TRP 114 11.062 3.952 -5.353 878 HE3 TRP 67 HE3 TRP 114 15.219 1.242 -3.530 879 HZ2 TRP 67 HZ2 TRP 114 10.316 1.706 -3.779 880 HZ3 TRP 67 HZ3 TRP 114 13.770 -0.394 -2.391 881 HH2 TRP 67 HH2 TRP 114 11.314 -0.170 -2.527 882 H ASN 68 HN ASN 115 17.195 6.905 -6.108 883 HA ASN 68 HA ASN 115 19.835 5.933 -5.952 884 1HB ASN 68 HB2 ASN 115 18.821 8.788 -6.191 885 2HB ASN 68 HB1 ASN 115 20.513 8.333 -6.400 886 1HD2 ASN 68 HD22 ASN 115 18.573 6.148 -9.137 887 2HD2 ASN 68 HD21 ASN 115 18.596 5.769 -7.484 888 H VAL 69 HN VAL 116 17.888 7.183 -3.474 889 HA VAL 69 HA VAL 116 19.853 8.497 -1.848 890 HB VAL 69 HB VAL 116 18.278 8.005 0.032 891 1HG1 VAL 69 HG13 VAL 116 17.987 9.895 -1.673 892 2HG1 VAL 69 HG12 VAL 116 16.773 8.879 -2.437 893 3HG1 VAL 69 HG11 VAL 116 16.540 9.427 -0.782 894 1HG2 VAL 69 HG21 VAL 116 16.794 6.478 -2.137 895 2HG2 VAL 69 HG23 VAL 116 17.548 5.771 -0.708 896 3HG2 VAL 69 HG22 VAL 116 16.151 6.837 -0.539 897 H ASP 70 HN ASP 117 21.267 7.679 -0.322 898 HA ASP 70 HA ASP 117 22.317 5.068 -0.674 899 1HB ASP 70 HB2 ASP 117 22.517 7.007 1.646 900 2HB ASP 70 HB1 ASP 117 23.437 5.505 1.563 901 H GLY 71 HN GLY 118 19.947 6.328 1.656 902 1HA GLY 71 HA2 GLY 118 18.541 3.903 1.941 903 2HA GLY 71 HA1 GLY 118 19.764 3.923 3.212 No H/Q in entry = 903 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -8.547 -0.099 9.364 2 2H MET 1 HT3 MET 1 -9.419 -1.469 9.869 3 3H MET 1 HT2 MET 1 -9.416 -0.062 10.823 4 HA MET 1 HA MET 1 -7.363 -0.440 11.677 5 1HB MET 1 HB2 MET 1 -8.843 -2.389 12.207 6 2HB MET 1 HB1 MET 1 -8.181 -3.232 10.808 7 1HG MET 1 HG2 MET 1 -6.374 -2.141 12.966 8 2HG MET 1 HG1 MET 1 -7.120 -3.728 13.119 9 1HE MET 1 HE3 MET 1 -4.398 -3.693 13.473 10 2HE MET 1 HE2 MET 1 -4.887 -5.312 12.987 11 3HE MET 1 HE1 MET 1 -3.471 -4.570 12.248 12 H VAL 2 HN VAL 2 -5.271 -0.252 11.054 13 HA VAL 2 HA VAL 2 -4.519 -1.144 8.297 14 HB VAL 2 HB VAL 2 -3.199 0.810 10.210 15 1HG1 VAL 2 HG12 VAL 2 -2.426 -0.226 7.479 16 2HG1 VAL 2 HG11 VAL 2 -1.853 1.332 8.080 17 3HG1 VAL 2 HG13 VAL 2 -1.440 -0.147 8.940 18 1HG2 VAL 2 HG23 VAL 2 -4.846 1.100 7.687 19 2HG2 VAL 2 HG22 VAL 2 -5.188 1.775 9.280 20 3HG2 VAL 2 HG21 VAL 2 -3.849 2.404 8.322 21 H LYS 3 HN LYS 3 -2.483 -2.268 7.990 22 HA LYS 3 HA LYS 3 -1.376 -3.596 10.445 23 1HB LYS 3 HB2 LYS 3 -2.892 -5.143 9.217 24 2HB LYS 3 HB1 LYS 3 -1.943 -4.887 7.754 25 1HG LYS 3 HG2 LYS 3 -0.227 -6.235 8.456 26 2HG LYS 3 HG1 LYS 3 -0.352 -5.707 10.132 27 1HD LYS 3 HD2 LYS 3 -0.965 -8.058 9.973 28 2HD LYS 3 HD1 LYS 3 -2.397 -7.117 10.385 29 1HE LYS 3 HE2 LYS 3 -3.138 -7.156 8.057 30 2HE LYS 3 HE1 LYS 3 -1.659 -7.985 7.573 31 1HZ LYS 3 HZ2 LYS 3 -2.315 -9.796 9.119 32 2HZ LYS 3 HZ1 LYS 3 -3.810 -9.019 9.330 33 3HZ LYS 3 HZ3 LYS 3 -3.366 -9.596 7.800 34 H GLN 4 HN GLN 4 0.815 -3.321 10.545 35 HA GLN 4 HA GLN 4 2.201 -2.223 8.155 36 1HB GLN 4 HB2 GLN 4 2.473 -1.055 10.313 37 2HB GLN 4 HB1 GLN 4 3.137 -2.525 11.027 38 1HG GLN 4 HG2 GLN 4 4.995 -2.483 9.388 39 2HG GLN 4 HG1 GLN 4 4.332 -1.003 8.686 40 1HE2 GLN 4 HE22 GLN 4 6.576 0.619 10.947 41 2HE2 GLN 4 HE21 GLN 4 6.339 0.160 9.329 42 H ILE 5 HN ILE 5 3.408 -3.515 6.910 43 HA ILE 5 HA ILE 5 4.105 -6.262 7.858 44 HB ILE 5 HB ILE 5 4.354 -5.087 5.078 45 1HG1 ILE 5 HG12 ILE 5 2.017 -4.851 5.791 46 2HG1 ILE 5 HG11 ILE 5 2.158 -6.134 4.594 47 1HG2 ILE 5 HG22 ILE 5 4.261 -7.884 6.213 48 2HG2 ILE 5 HG21 ILE 5 4.069 -7.524 4.507 49 3HG2 ILE 5 HG23 ILE 5 5.575 -7.122 5.313 50 1HD1 ILE 5 HD11 ILE 5 2.236 -7.796 6.480 51 2HD1 ILE 5 HD13 ILE 5 1.902 -6.470 7.594 52 3HD1 ILE 5 HD12 ILE 5 0.721 -6.906 6.374 53 H GLU 6 HN GLU 6 6.144 -6.408 8.696 54 HA GLU 6 HA GLU 6 8.221 -4.485 7.752 55 1HB GLU 6 HB2 GLU 6 8.243 -6.424 10.091 56 2HB GLU 6 HB1 GLU 6 9.483 -5.216 9.726 57 1HG GLU 6 HG2 GLU 6 6.586 -4.495 10.159 58 2HG GLU 6 HG1 GLU 6 7.770 -4.519 11.466 59 H SER 7 HN SER 7 7.127 -7.546 6.995 60 HA SER 7 HA SER 7 9.703 -8.159 5.670 61 1HB SER 7 HB2 SER 7 9.789 -10.453 6.564 62 2HB SER 7 HB1 SER 7 9.946 -9.258 7.851 63 HG SER 7 HG SER 7 7.463 -9.573 7.836 64 H LYS 8 HN LYS 8 9.517 -9.775 4.024 65 HA LYS 8 HA LYS 8 7.033 -9.770 2.592 66 1HB LYS 8 HB2 LYS 8 9.360 -10.259 1.633 67 2HB LYS 8 HB1 LYS 8 9.196 -11.875 2.327 68 1HG LYS 8 HG2 LYS 8 6.924 -11.974 1.102 69 2HG LYS 8 HG1 LYS 8 7.508 -10.577 0.193 70 1HD LYS 8 HD2 LYS 8 8.964 -13.227 0.411 71 2HD LYS 8 HD1 LYS 8 7.982 -12.726 -0.967 72 1HE LYS 8 HE2 LYS 8 9.467 -10.662 -1.098 73 2HE LYS 8 HE1 LYS 8 10.541 -11.478 0.036 74 1HZ LYS 8 HZ3 LYS 8 10.181 -13.416 -1.704 75 2HZ LYS 8 HZ2 LYS 8 9.974 -12.093 -2.749 76 3HZ LYS 8 HZ1 LYS 8 11.415 -12.265 -1.868 77 H THR 9 HN THR 9 8.496 -11.948 4.948 78 HA THR 9 HA THR 9 6.816 -14.178 4.593 79 HB THR 9 HB THR 9 7.818 -13.098 7.235 80 HG1 THR 9 HG1 THR 9 9.000 -14.868 5.360 81 1HG2 THR 9 HG22 THR 9 6.938 -15.845 6.324 82 2HG2 THR 9 HG21 THR 9 7.734 -15.520 7.861 83 3HG2 THR 9 HG23 THR 9 6.149 -14.825 7.529 84 H ALA 10 HN ALA 10 6.328 -11.348 6.707 85 HA ALA 10 HA ALA 10 3.669 -12.127 7.536 86 1HB ALA 10 HB1 ALA 10 5.300 -9.594 7.652 87 2HB ALA 10 HB3 ALA 10 3.568 -9.508 7.988 88 3HB ALA 10 HB2 ALA 10 4.610 -10.526 8.975 89 H PHE 11 HN PHE 11 4.968 -10.370 4.764 90 HA PHE 11 HA PHE 11 2.561 -9.129 3.852 91 1HB PHE 11 HB2 PHE 11 4.900 -8.806 2.892 92 2HB PHE 11 HB1 PHE 11 4.727 -10.361 2.109 93 HD1 PHE 11 HD1 PHE 11 2.772 -7.167 2.503 94 HD2 PHE 11 HD2 PHE 11 3.948 -10.386 -0.090 95 HE1 PHE 11 HE1 PHE 11 1.570 -6.099 0.621 96 HE2 PHE 11 HE2 PHE 11 2.739 -9.314 -1.971 97 HZ PHE 11 HZ PHE 11 1.546 -7.169 -1.617 98 H GLN 12 HN GLN 12 3.901 -12.362 3.262 99 HA GLN 12 HA GLN 12 1.815 -13.252 1.489 100 1HB GLN 12 HB2 GLN 12 3.568 -14.841 3.406 101 2HB GLN 12 HB1 GLN 12 2.628 -15.524 2.080 102 1HG GLN 12 HG2 GLN 12 4.819 -13.455 1.753 103 2HG GLN 12 HG1 GLN 12 5.016 -15.186 1.472 104 1HE2 GLN 12 HE22 GLN 12 3.511 -12.929 -1.464 105 2HE2 GLN 12 HE21 GLN 12 4.291 -12.297 -0.095 106 H GLU 13 HN GLU 13 2.291 -13.428 4.986 107 HA GLU 13 HA GLU 13 -0.084 -14.922 5.596 108 1HB GLU 13 HB2 GLU 13 1.493 -12.964 7.295 109 2HB GLU 13 HB1 GLU 13 0.302 -14.105 7.903 110 1HG GLU 13 HG2 GLU 13 2.798 -14.907 6.385 111 2HG GLU 13 HG1 GLU 13 2.643 -14.938 8.140 112 H ALA 14 HN ALA 14 0.573 -11.462 5.245 113 HA ALA 14 HA ALA 14 -1.967 -10.589 6.292 114 1HB ALA 14 HB2 ALA 14 -0.066 -9.228 4.361 115 2HB ALA 14 HB1 ALA 14 -1.432 -8.444 5.157 116 3HB ALA 14 HB3 ALA 14 -0.083 -9.046 6.115 117 H LEU 15 HN LEU 15 -0.768 -11.342 3.054 118 HA LEU 15 HA LEU 15 -3.107 -10.604 1.606 119 1HB LEU 15 HB2 LEU 15 -0.960 -12.679 1.103 120 2HB LEU 15 HB1 LEU 15 -2.232 -12.324 -0.063 121 HG LEU 15 HG LEU 15 -0.450 -10.162 1.081 122 1HD1 LEU 15 HD11 LEU 15 0.037 -12.052 -1.215 123 2HD1 LEU 15 HD13 LEU 15 0.696 -10.420 -1.257 124 3HD1 LEU 15 HD12 LEU 15 1.155 -11.518 0.042 125 1HD2 LEU 15 HD22 LEU 15 -2.372 -10.378 -1.249 126 2HD2 LEU 15 HD21 LEU 15 -2.313 -9.156 0.017 127 3HD2 LEU 15 HD23 LEU 15 -1.094 -9.166 -1.253 128 H ASP 16 HN ASP 16 -2.109 -13.631 3.159 129 HA ASP 16 HA ASP 16 -4.431 -15.120 2.364 130 1HB ASP 16 HB2 ASP 16 -2.211 -16.054 3.239 131 2HB ASP 16 HB1 ASP 16 -2.799 -15.646 4.855 132 H ALA 17 HN ALA 17 -3.670 -13.137 5.206 133 HA ALA 17 HA ALA 17 -6.003 -13.875 6.710 134 1HB ALA 17 HB3 ALA 17 -4.268 -11.384 6.803 135 2HB ALA 17 HB2 ALA 17 -5.520 -11.757 7.987 136 3HB ALA 17 HB1 ALA 17 -4.118 -12.815 7.822 137 H ALA 18 HN ALA 18 -5.362 -11.304 4.356 138 HA ALA 18 HA ALA 18 -7.785 -9.851 4.679 139 1HB ALA 18 HB2 ALA 18 -6.028 -10.300 2.263 140 2HB ALA 18 HB1 ALA 18 -7.392 -9.183 2.268 141 3HB ALA 18 HB3 ALA 18 -6.021 -8.910 3.349 142 H GLY 19 HN GLY 19 -7.114 -12.849 2.952 143 1HA GLY 19 HA2 GLY 19 -8.608 -14.416 2.040 144 2HA GLY 19 HA1 GLY 19 -9.903 -13.554 2.864 145 H ASP 20 HN ASP 20 -11.424 -13.013 1.372 146 HA ASP 20 HA ASP 20 -10.603 -12.403 -1.404 147 1HB ASP 20 HB2 ASP 20 -13.342 -12.637 -0.129 148 2HB ASP 20 HB1 ASP 20 -13.031 -12.449 -1.857 149 H LYS 21 HN LYS 21 -10.736 -10.633 1.340 150 HA LYS 21 HA LYS 21 -12.255 -8.327 0.422 151 1HB LYS 21 HB2 LYS 21 -10.195 -8.666 2.623 152 2HB LYS 21 HB1 LYS 21 -11.101 -7.179 2.347 153 1HG LYS 21 HG2 LYS 21 -13.214 -8.668 2.519 154 2HG LYS 21 HG1 LYS 21 -12.137 -9.874 3.229 155 1HD LYS 21 HD2 LYS 21 -11.417 -8.211 4.923 156 2HD LYS 21 HD1 LYS 21 -12.555 -7.048 4.243 157 1HE LYS 21 HE2 LYS 21 -13.610 -8.098 6.150 158 2HE LYS 21 HE1 LYS 21 -14.401 -8.695 4.693 159 1HZ LYS 21 HZ1 LYS 21 -12.122 -10.139 5.885 160 2HZ LYS 21 HZ3 LYS 21 -13.696 -10.380 6.464 161 3HZ LYS 21 HZ2 LYS 21 -13.326 -10.728 4.843 162 H LEU 22 HN LEU 22 -11.377 -6.324 -0.402 163 HA LEU 22 HA LEU 22 -9.203 -6.569 -2.203 164 1HB LEU 22 HB2 LEU 22 -11.178 -4.682 -1.745 165 2HB LEU 22 HB1 LEU 22 -9.754 -3.836 -1.169 166 HG LEU 22 HG LEU 22 -10.214 -4.954 -3.938 167 1HD1 LEU 22 HD11 LEU 22 -10.259 -2.232 -2.703 168 2HD1 LEU 22 HD13 LEU 22 -9.477 -2.347 -4.272 169 3HD1 LEU 22 HD12 LEU 22 -11.149 -2.860 -4.083 170 1HD2 LEU 22 HD22 LEU 22 -7.693 -3.912 -2.636 171 2HD2 LEU 22 HD21 LEU 22 -7.901 -5.389 -3.577 172 3HD2 LEU 22 HD23 LEU 22 -7.927 -3.829 -4.377 173 H VAL 23 HN VAL 23 -7.029 -5.586 -2.013 174 HA VAL 23 HA VAL 23 -6.127 -4.949 0.743 175 HB VAL 23 HB VAL 23 -4.848 -7.038 -1.053 176 1HG1 VAL 23 HG11 VAL 23 -4.033 -5.808 1.584 177 2HG1 VAL 23 HG13 VAL 23 -3.430 -7.381 1.063 178 3HG1 VAL 23 HG12 VAL 23 -3.082 -5.944 0.106 179 1HG2 VAL 23 HG21 VAL 23 -6.440 -7.195 1.505 180 2HG2 VAL 23 HG23 VAL 23 -6.736 -8.038 -0.018 181 3HG2 VAL 23 HG22 VAL 23 -5.362 -8.489 0.985 182 H VAL 24 HN VAL 24 -5.332 -2.914 0.403 183 HA VAL 24 HA VAL 24 -3.824 -2.370 -2.117 184 HB VAL 24 HB VAL 24 -4.720 -0.417 0.035 185 1HG1 VAL 24 HG11 VAL 24 -2.831 0.238 -1.528 186 2HG1 VAL 24 HG13 VAL 24 -3.988 0.098 -2.854 187 3HG1 VAL 24 HG12 VAL 24 -4.250 1.286 -1.583 188 1HG2 VAL 24 HG23 VAL 24 -6.084 -1.387 -2.480 189 2HG2 VAL 24 HG22 VAL 24 -6.734 -1.313 -0.843 190 3HG2 VAL 24 HG21 VAL 24 -6.471 0.172 -1.759 191 H VAL 25 HN VAL 25 -1.579 -1.823 -1.988 192 HA VAL 25 HA VAL 25 -0.343 -1.969 0.756 193 HB VAL 25 HB VAL 25 0.890 -2.936 -1.838 194 1HG1 VAL 25 HG12 VAL 25 2.414 -2.224 0.045 195 2HG1 VAL 25 HG11 VAL 25 1.681 -3.488 1.030 196 3HG1 VAL 25 HG13 VAL 25 2.577 -3.911 -0.430 197 1HG2 VAL 25 HG21 VAL 25 -1.133 -4.267 -1.132 198 2HG2 VAL 25 HG23 VAL 25 0.367 -5.191 -1.127 199 3HG2 VAL 25 HG22 VAL 25 -0.312 -4.605 0.390 200 H ASP 26 HN ASP 26 0.650 -0.115 1.290 201 HA ASP 26 HA ASP 26 1.476 1.788 -0.860 202 1HB ASP 26 HB2 ASP 26 0.052 2.666 0.956 203 2HB ASP 26 HB1 ASP 26 1.265 2.186 2.142 204 H PHE 27 HN PHE 27 3.576 1.828 -1.428 205 HA PHE 27 HA PHE 27 5.629 0.619 0.363 206 1HB PHE 27 HB2 PHE 27 5.591 1.359 -2.571 207 2HB PHE 27 HB1 PHE 27 7.089 0.935 -1.728 208 HD1 PHE 27 HD1 PHE 27 7.307 -1.316 -0.633 209 HD2 PHE 27 HD2 PHE 27 4.019 -0.323 -3.207 210 HE1 PHE 27 HE1 PHE 27 6.798 -3.723 -0.909 211 HE2 PHE 27 HE2 PHE 27 3.518 -2.731 -3.482 212 HZ PHE 27 HZ PHE 27 4.898 -4.433 -2.333 213 H SER 28 HN SER 28 4.385 3.419 0.594 214 HA SER 28 HA SER 28 6.222 5.393 -0.154 215 1HB SER 28 HB2 SER 28 4.622 5.258 2.408 216 2HB SER 28 HB1 SER 28 5.360 6.707 1.728 217 HG SER 28 HG SER 28 3.579 5.092 0.243 218 H ALA 29 HN ALA 29 8.001 6.328 0.794 219 HA ALA 29 HA ALA 29 9.597 4.566 2.533 220 1HB ALA 29 HB2 ALA 29 10.107 7.097 0.975 221 2HB ALA 29 HB1 ALA 29 11.225 6.642 2.262 222 3HB ALA 29 HB3 ALA 29 10.964 5.562 0.890 223 H THR 30 HN THR 30 9.605 4.826 4.738 224 HA THR 30 HA THR 30 7.980 6.861 5.958 225 HB THR 30 HB THR 30 8.458 4.714 7.084 226 HG1 THR 30 HG1 THR 30 8.808 7.165 8.170 227 1HG2 THR 30 HG22 THR 30 10.831 4.585 6.205 228 2HG2 THR 30 HG21 THR 30 11.276 5.747 7.456 229 3HG2 THR 30 HG23 THR 30 10.644 4.164 7.906 230 H TRP 31 HN TRP 31 11.442 6.537 5.294 231 HA TRP 31 HA TRP 31 12.268 8.888 6.760 232 1HB TRP 31 HB2 TRP 31 14.362 8.667 5.535 233 2HB TRP 31 HB1 TRP 31 13.814 7.081 6.071 234 HD1 TRP 31 HD1 TRP 31 13.264 5.320 4.292 235 HE1 TRP 31 HE1 TRP 31 13.463 5.221 1.726 236 HE3 TRP 31 HE3 TRP 31 14.031 10.270 3.276 237 HZ2 TRP 31 HZ2 TRP 31 13.866 6.998 -0.458 238 HZ3 TRP 31 HZ3 TRP 31 14.299 11.035 0.930 239 HH2 TRP 31 HH2 TRP 31 14.218 9.403 -0.934 240 H CYS 32 HN CYS 32 10.836 8.501 3.576 241 HA CYS 32 HA CYS 32 11.803 11.130 2.670 242 1HB CYS 32 HB2 CYS 32 11.275 9.106 1.153 243 2HB CYS 32 HB1 CYS 32 9.581 9.504 1.410 244 H GLY 33 HN GLY 33 10.884 12.961 3.404 245 1HA GLY 33 HA2 GLY 33 8.539 13.045 5.000 246 2HA GLY 33 HA1 GLY 33 9.290 14.446 4.243 247 HA PRO 34 HA PRO 34 6.247 14.874 1.053 248 1HB PRO 34 HB2 PRO 34 7.690 13.281 -1.013 249 2HB PRO 34 HB1 PRO 34 7.125 14.957 -1.072 250 1HG PRO 34 HG2 PRO 34 9.765 14.258 -0.781 251 2HG PRO 34 HG1 PRO 34 9.088 15.788 -0.200 252 1HD PRO 34 HD2 PRO 34 10.002 13.451 1.367 253 2HD PRO 34 HD1 PRO 34 9.722 15.122 1.915 254 H ALA 35 HN ALA 35 7.620 11.573 1.028 255 HA ALA 35 HA ALA 35 5.157 10.350 0.084 256 1HB ALA 35 HB3 ALA 35 7.601 9.442 -0.027 257 2HB ALA 35 HB2 ALA 35 7.285 8.855 1.603 258 3HB ALA 35 HB1 ALA 35 6.284 8.304 0.258 259 H LYS 36 HN LYS 36 6.753 10.447 3.298 260 HA LYS 36 HA LYS 36 4.695 9.042 4.677 261 1HB LYS 36 HB2 LYS 36 6.970 9.581 5.603 262 2HB LYS 36 HB1 LYS 36 6.431 11.250 5.820 263 1HG LYS 36 HG2 LYS 36 4.513 10.375 7.205 264 2HG LYS 36 HG1 LYS 36 5.233 8.771 7.091 265 1HD LYS 36 HD2 LYS 36 7.273 9.583 8.172 266 2HD LYS 36 HD1 LYS 36 6.609 11.214 8.244 267 1HE LYS 36 HE2 LYS 36 6.275 10.171 10.404 268 2HE LYS 36 HE1 LYS 36 4.705 10.297 9.616 269 1HZ LYS 36 HZ3 LYS 36 6.079 7.879 8.950 270 2HZ LYS 36 HZ2 LYS 36 5.816 8.024 10.622 271 3HZ LYS 36 HZ1 LYS 36 4.505 8.098 9.546 272 H MET 37 HN MET 37 5.076 12.463 3.899 273 HA MET 37 HA MET 37 2.985 13.537 5.462 274 1HB MET 37 HB2 MET 37 4.676 14.822 4.118 275 2HB MET 37 HB1 MET 37 3.748 14.423 2.674 276 1HG MET 37 HG2 MET 37 1.741 15.478 3.726 277 2HG MET 37 HG1 MET 37 2.759 15.973 5.083 278 1HE MET 37 HE1 MET 37 2.205 18.391 4.861 279 2HE MET 37 HE3 MET 37 2.317 19.367 3.393 280 3HE MET 37 HE2 MET 37 1.107 18.093 3.517 281 H ILE 38 HN ILE 38 2.887 11.732 2.482 282 HA ILE 38 HA ILE 38 0.067 12.375 1.982 283 HB ILE 38 HB ILE 38 1.916 10.383 0.641 284 1HG1 ILE 38 HG12 ILE 38 0.971 13.045 -0.431 285 2HG1 ILE 38 HG11 ILE 38 2.436 12.918 0.545 286 1HG2 ILE 38 HG21 ILE 38 -0.910 11.288 0.087 287 2HG2 ILE 38 HG23 ILE 38 0.127 10.752 -1.231 288 3HG2 ILE 38 HG22 ILE 38 -0.253 9.650 0.088 289 1HD1 ILE 38 HD13 ILE 38 3.338 11.257 -1.039 290 2HD1 ILE 38 HD12 ILE 38 1.891 11.424 -2.029 291 3HD1 ILE 38 HD11 ILE 38 2.989 12.794 -1.823 292 H LYS 39 HN LYS 39 1.550 10.268 4.160 293 HA LYS 39 HA LYS 39 -0.024 7.941 3.701 294 1HB LYS 39 HB2 LYS 39 0.695 7.069 5.745 295 2HB LYS 39 HB1 LYS 39 2.020 8.085 5.214 296 1HG LYS 39 HG2 LYS 39 1.545 9.755 6.826 297 2HG LYS 39 HG1 LYS 39 -0.074 9.148 7.140 298 1HD LYS 39 HD2 LYS 39 2.317 7.395 7.671 299 2HD LYS 39 HD1 LYS 39 1.845 8.620 8.842 300 1HE LYS 39 HE2 LYS 39 -0.143 7.548 9.373 301 2HE LYS 39 HE1 LYS 39 -0.291 6.792 7.789 302 1HZ LYS 39 HZ2 LYS 39 2.022 5.774 8.783 303 2HZ LYS 39 HZ1 LYS 39 1.009 5.831 10.144 304 3HZ LYS 39 HZ3 LYS 39 0.517 4.983 8.763 305 HA PRO 40 HA PRO 40 -3.081 9.924 7.020 306 1HB PRO 40 HB2 PRO 40 -3.526 12.473 5.537 307 2HB PRO 40 HB1 PRO 40 -3.419 12.194 7.286 308 1HG PRO 40 HG2 PRO 40 -1.444 13.418 5.930 309 2HG PRO 40 HG1 PRO 40 -1.099 12.344 7.299 310 1HD PRO 40 HD2 PRO 40 -0.803 11.832 4.382 311 2HD PRO 40 HD1 PRO 40 0.208 11.233 5.714 312 H PHE 41 HN PHE 41 -3.314 10.809 3.515 313 HA PHE 41 HA PHE 41 -6.157 10.273 3.443 314 1HB PHE 41 HB2 PHE 41 -3.993 10.443 1.332 315 2HB PHE 41 HB1 PHE 41 -5.645 9.992 0.922 316 HD1 PHE 41 HD2 PHE 41 -3.683 12.590 2.731 317 HD2 PHE 41 HD1 PHE 41 -7.257 11.665 0.552 318 HE1 PHE 41 HE2 PHE 41 -4.330 14.982 2.783 319 HE2 PHE 41 HE1 PHE 41 -7.912 14.060 0.609 320 HZ PHE 41 HZ PHE 41 -6.445 15.718 1.722 321 H PHE 42 HN PHE 42 -3.279 8.349 2.642 322 HA PHE 42 HA PHE 42 -4.646 5.975 1.834 323 1HB PHE 42 HB2 PHE 42 -2.265 6.354 1.392 324 2HB PHE 42 HB1 PHE 42 -1.914 6.357 3.121 325 HD1 PHE 42 HD1 PHE 42 -3.150 4.254 0.315 326 HD2 PHE 42 HD2 PHE 42 -1.626 4.309 4.331 327 HE1 PHE 42 HE1 PHE 42 -2.952 1.792 0.274 328 HE2 PHE 42 HE2 PHE 42 -1.423 1.834 4.279 329 HZ PHE 42 HZ PHE 42 -2.092 0.579 2.250 330 H HIS 43 HN HIS 43 -3.195 6.792 4.966 331 HA HIS 43 HA HIS 43 -4.201 4.485 6.330 332 1HB HIS 43 HB2 HIS 43 -2.240 5.746 7.062 333 2HB HIS 43 HB1 HIS 43 -3.240 7.163 7.372 334 HD1 HIS 43 HD1 HIS 43 -2.309 3.838 8.767 335 HD2 HIS 43 HD2 HIS 43 -4.949 6.932 9.646 336 HE1 HIS 43 HE1 HIS 43 -3.246 3.341 11.067 337 H SER 44 HN SER 44 -5.401 7.843 6.138 338 HA SER 44 HA SER 44 -7.534 7.593 7.997 339 1HB SER 44 HB2 SER 44 -7.423 9.298 5.500 340 2HB SER 44 HB1 SER 44 -8.574 9.496 6.818 341 HG SER 44 HG SER 44 -7.067 10.736 7.608 342 H LEU 45 HN LEU 45 -7.422 6.799 4.525 343 HA LEU 45 HA LEU 45 -10.230 6.359 4.198 344 1HB LEU 45 HB2 LEU 45 -7.863 5.167 2.746 345 2HB LEU 45 HB1 LEU 45 -9.524 4.863 2.274 346 HG LEU 45 HG LEU 45 -8.563 7.709 2.601 347 1HD1 LEU 45 HD11 LEU 45 -6.951 6.579 1.083 348 2HD1 LEU 45 HD13 LEU 45 -8.297 6.024 0.088 349 3HD1 LEU 45 HD12 LEU 45 -7.950 7.746 0.217 350 1HD2 LEU 45 HD23 LEU 45 -10.724 6.317 0.985 351 2HD2 LEU 45 HD22 LEU 45 -10.934 7.497 2.277 352 3HD2 LEU 45 HD21 LEU 45 -10.270 8.004 0.726 353 H SER 46 HN SER 46 -7.812 4.381 5.769 354 HA SER 46 HA SER 46 -8.878 1.808 5.440 355 1HB SER 46 HB2 SER 46 -7.742 2.984 8.004 356 2HB SER 46 HB1 SER 46 -7.924 1.269 7.659 357 HG SER 46 HG SER 46 -5.851 2.659 7.121 358 H GLU 47 HN GLU 47 -9.975 4.389 7.599 359 HA GLU 47 HA GLU 47 -12.135 2.729 8.698 360 1HB GLU 47 HB2 GLU 47 -11.440 5.678 8.946 361 2HB GLU 47 HB1 GLU 47 -12.805 4.930 9.779 362 1HG GLU 47 HG2 GLU 47 -9.922 4.042 10.042 363 2HG GLU 47 HG1 GLU 47 -10.754 5.072 11.201 364 H LYS 48 HN LYS 48 -11.659 4.710 5.912 365 HA LYS 48 HA LYS 48 -14.491 5.402 5.604 366 1HB LYS 48 HB2 LYS 48 -12.633 6.779 4.576 367 2HB LYS 48 HB1 LYS 48 -12.333 5.439 3.468 368 1HG LYS 48 HG2 LYS 48 -14.743 5.554 2.769 369 2HG LYS 48 HG1 LYS 48 -14.915 6.997 3.764 370 1HD LYS 48 HD2 LYS 48 -13.180 8.128 2.444 371 2HD LYS 48 HD1 LYS 48 -12.987 6.685 1.448 372 1HE LYS 48 HE2 LYS 48 -15.314 6.861 0.698 373 2HE LYS 48 HE1 LYS 48 -15.562 8.257 1.747 374 1HZ LYS 48 HZ1 LYS 48 -13.563 9.211 0.472 375 2HZ LYS 48 HZ3 LYS 48 -13.937 8.040 -0.694 376 3HZ LYS 48 HZ2 LYS 48 -15.090 9.216 -0.273 377 H TYR 49 HN TYR 49 -12.223 2.969 4.505 378 HA TYR 49 HA TYR 49 -14.536 1.324 3.495 379 1HB TYR 49 HB2 TYR 49 -11.699 1.417 2.415 380 2HB TYR 49 HB1 TYR 49 -12.943 0.282 1.899 381 HD1 TYR 49 HD2 TYR 49 -15.185 1.307 1.052 382 HD2 TYR 49 HD1 TYR 49 -11.508 3.510 1.330 383 HE1 TYR 49 HE2 TYR 49 -16.052 2.959 -0.579 384 HE2 TYR 49 HE1 TYR 49 -12.376 5.167 -0.296 385 HH TYR 49 HH TYR 49 -14.557 5.960 -1.149 386 H SER 50 HN SER 50 -14.340 0.892 5.920 387 HA SER 50 HA SER 50 -12.150 -0.593 6.994 388 1HB SER 50 HB2 SER 50 -13.663 -1.082 8.814 389 2HB SER 50 HB1 SER 50 -14.002 0.556 8.286 390 HG SER 50 HG SER 50 -15.487 -0.946 6.785 391 H ASN 51 HN ASN 51 -14.427 -1.362 4.637 392 HA ASN 51 HA ASN 51 -14.435 -4.266 5.184 393 1HB ASN 51 HB2 ASN 51 -16.442 -3.020 4.240 394 2HB ASN 51 HB1 ASN 51 -15.511 -2.817 2.757 395 1HD2 ASN 51 HD22 ASN 51 -16.239 -6.059 1.604 396 2HD2 ASN 51 HD21 ASN 51 -15.672 -4.498 1.254 397 H VAL 52 HN VAL 52 -12.228 -2.216 4.125 398 HA VAL 52 HA VAL 52 -11.056 -4.128 2.156 399 HB VAL 52 HB VAL 52 -11.070 -1.095 2.126 400 1HG1 VAL 52 HG12 VAL 52 -9.158 -3.049 0.892 401 2HG1 VAL 52 HG11 VAL 52 -9.633 -1.644 -0.064 402 3HG1 VAL 52 HG13 VAL 52 -8.863 -1.429 1.506 403 1HG2 VAL 52 HG22 VAL 52 -11.991 -3.246 0.190 404 2HG2 VAL 52 HG21 VAL 52 -13.002 -2.093 1.058 405 3HG2 VAL 52 HG23 VAL 52 -11.921 -1.532 -0.219 406 H ILE 53 HN ILE 53 -8.839 -4.549 2.512 407 HA ILE 53 HA ILE 53 -7.828 -3.632 5.178 408 HB ILE 53 HB ILE 53 -6.744 -5.800 3.362 409 1HG1 ILE 53 HG12 ILE 53 -9.011 -6.421 3.943 410 2HG1 ILE 53 HG11 ILE 53 -7.915 -7.358 4.954 411 1HG2 ILE 53 HG22 ILE 53 -5.264 -4.811 5.197 412 2HG2 ILE 53 HG21 ILE 53 -6.414 -5.489 6.350 413 3HG2 ILE 53 HG23 ILE 53 -5.525 -6.551 5.265 414 1HD1 ILE 53 HD13 ILE 53 -8.220 -5.437 6.687 415 2HD1 ILE 53 HD12 ILE 53 -9.636 -5.010 5.730 416 3HD1 ILE 53 HD11 ILE 53 -9.530 -6.602 6.482 417 H PHE 54 HN PHE 54 -6.373 -1.984 5.190 418 HA PHE 54 HA PHE 54 -4.794 -1.421 2.710 419 1HB PHE 54 HB2 PHE 54 -5.361 0.222 5.198 420 2HB PHE 54 HB1 PHE 54 -4.319 0.760 3.880 421 HD1 PHE 54 HD1 PHE 54 -7.787 -0.444 4.616 422 HD2 PHE 54 HD2 PHE 54 -5.263 1.819 1.976 423 HE1 PHE 54 HE1 PHE 54 -9.793 0.394 3.409 424 HE2 PHE 54 HE2 PHE 54 -7.267 2.646 0.775 425 HZ PHE 54 HZ PHE 54 -9.527 1.932 1.484 426 H LEU 55 HN LEU 55 -2.613 -1.917 2.683 427 HA LEU 55 HA LEU 55 -1.268 -2.602 5.280 428 1HB LEU 55 HB2 LEU 55 -0.784 -3.600 2.462 429 2HB LEU 55 HB1 LEU 55 0.448 -3.764 3.711 430 HG LEU 55 HG LEU 55 -0.865 -5.256 4.973 431 1HD1 LEU 55 HD11 LEU 55 -3.223 -4.246 3.379 432 2HD1 LEU 55 HD13 LEU 55 -3.295 -5.726 4.328 433 3HD1 LEU 55 HD12 LEU 55 -2.976 -4.188 5.128 434 1HD2 LEU 55 HD22 LEU 55 -1.457 -5.810 2.047 435 2HD2 LEU 55 HD21 LEU 55 -0.018 -6.311 2.937 436 3HD2 LEU 55 HD23 LEU 55 -1.592 -6.995 3.339 437 H GLU 56 HN GLU 56 0.626 -1.581 5.816 438 HA GLU 56 HA GLU 56 1.577 0.575 3.950 439 1HB GLU 56 HB2 GLU 56 0.715 1.270 6.261 440 2HB GLU 56 HB1 GLU 56 2.089 0.398 6.934 441 1HG GLU 56 HG2 GLU 56 3.619 1.797 5.549 442 2HG GLU 56 HG1 GLU 56 2.222 2.715 4.982 443 H VAL 57 HN VAL 57 3.672 0.312 3.191 444 HA VAL 57 HA VAL 57 5.384 -1.761 4.541 445 HB VAL 57 HB VAL 57 5.058 -1.336 1.557 446 1HG1 VAL 57 HG12 VAL 57 6.588 -3.396 3.173 447 2HG1 VAL 57 HG11 VAL 57 6.414 -3.393 1.418 448 3HG1 VAL 57 HG13 VAL 57 7.302 -2.100 2.212 449 1HG2 VAL 57 HG21 VAL 57 4.069 -3.545 3.391 450 2HG2 VAL 57 HG23 VAL 57 3.058 -2.358 2.565 451 3HG2 VAL 57 HG22 VAL 57 3.946 -3.561 1.634 452 H ASP 58 HN ASP 58 7.402 -1.062 4.996 453 HA ASP 58 HA ASP 58 8.285 1.600 4.019 454 1HB ASP 58 HB2 ASP 58 8.419 0.890 6.473 455 2HB ASP 58 HB1 ASP 58 9.671 -0.252 5.967 456 H VAL 59 HN VAL 59 9.594 1.647 2.220 457 HA VAL 59 HA VAL 59 10.686 -0.797 1.113 458 HB VAL 59 HB VAL 59 11.909 0.746 -0.422 459 1HG1 VAL 59 HG13 VAL 59 8.981 1.249 0.146 460 2HG1 VAL 59 HG12 VAL 59 9.802 1.932 -1.259 461 3HG1 VAL 59 HG11 VAL 59 9.677 0.186 -1.072 462 1HG2 VAL 59 HG23 VAL 59 10.824 2.804 1.511 463 2HG2 VAL 59 HG22 VAL 59 12.484 2.599 0.954 464 3HG2 VAL 59 HG21 VAL 59 11.254 3.225 -0.144 465 H ASP 60 HN ASP 60 11.712 1.439 3.549 466 HA ASP 60 HA ASP 60 14.559 0.630 3.337 467 1HB ASP 60 HB2 ASP 60 13.014 2.665 4.915 468 2HB ASP 60 HB1 ASP 60 14.652 2.242 5.387 469 H ASP 61 HN ASP 61 11.850 0.191 5.665 470 HA ASP 61 HA ASP 61 13.643 -1.583 7.291 471 1HB ASP 61 HB2 ASP 61 10.815 -0.613 7.854 472 2HB ASP 61 HB1 ASP 61 11.775 -1.632 8.920 473 H ALA 62 HN ALA 62 11.292 -1.643 4.858 474 HA ALA 62 HA ALA 62 10.914 -4.592 5.200 475 1HB ALA 62 HB2 ALA 62 8.887 -2.813 5.517 476 2HB ALA 62 HB1 ALA 62 8.803 -3.031 3.769 477 3HB ALA 62 HB3 ALA 62 8.637 -4.425 4.843 478 H GLN 63 HN GLN 63 12.965 -3.307 3.824 479 HA GLN 63 HA GLN 63 12.520 -2.833 1.073 480 1HB GLN 63 HB2 GLN 63 14.924 -3.144 0.823 481 2HB GLN 63 HB1 GLN 63 14.618 -2.296 2.338 482 1HG GLN 63 HG2 GLN 63 14.681 -4.533 3.509 483 2HG GLN 63 HG1 GLN 63 15.260 -5.230 1.993 484 1HE2 GLN 63 HE22 GLN 63 18.553 -4.414 2.926 485 2HE2 GLN 63 HE21 GLN 63 17.474 -5.584 2.341 486 H ASP 64 HN ASP 64 12.646 -5.832 2.849 487 HA ASP 64 HA ASP 64 13.323 -7.556 0.672 488 1HB ASP 64 HB2 ASP 64 12.133 -9.306 2.089 489 2HB ASP 64 HB1 ASP 64 13.409 -8.421 2.916 490 H VAL 65 HN VAL 65 10.226 -6.257 1.840 491 HA VAL 65 HA VAL 65 8.606 -7.766 0.009 492 HB VAL 65 HB VAL 65 7.973 -5.043 1.162 493 1HG1 VAL 65 HG13 VAL 65 6.448 -6.050 -0.572 494 2HG1 VAL 65 HG12 VAL 65 6.153 -7.379 0.550 495 3HG1 VAL 65 HG11 VAL 65 5.684 -5.735 0.987 496 1HG2 VAL 65 HG23 VAL 65 8.050 -7.741 2.476 497 2HG2 VAL 65 HG22 VAL 65 8.549 -6.177 3.114 498 3HG2 VAL 65 HG21 VAL 65 6.838 -6.567 2.986 499 H ALA 66 HN ALA 66 9.917 -4.456 -0.074 500 HA ALA 66 HA ALA 66 8.773 -3.820 -2.636 501 1HB ALA 66 HB2 ALA 66 9.665 -2.257 -0.729 502 2HB ALA 66 HB1 ALA 66 11.214 -2.437 -1.552 503 3HB ALA 66 HB3 ALA 66 9.832 -1.750 -2.409 504 H SER 67 HN SER 67 11.941 -5.066 -1.618 505 HA SER 67 HA SER 67 13.264 -4.751 -4.114 506 1HB SER 67 HB2 SER 67 14.796 -6.511 -3.332 507 2HB SER 67 HB1 SER 67 14.449 -5.368 -2.040 508 HG SER 67 HG SER 67 14.218 -7.454 -1.254 509 H GLU 68 HN GLU 68 11.185 -7.378 -2.925 510 HA GLU 68 HA GLU 68 11.586 -9.134 -5.148 511 1HB GLU 68 HB2 GLU 68 10.470 -9.719 -2.962 512 2HB GLU 68 HB1 GLU 68 9.048 -8.833 -3.519 513 1HG GLU 68 HG2 GLU 68 8.687 -11.143 -4.060 514 2HG GLU 68 HG1 GLU 68 9.062 -10.317 -5.574 515 H ALA 69 HN ALA 69 9.384 -6.413 -4.616 516 HA ALA 69 HA ALA 69 8.048 -6.837 -7.194 517 1HB ALA 69 HB3 ALA 69 6.945 -5.874 -5.088 518 2HB ALA 69 HB2 ALA 69 7.826 -4.387 -5.442 519 3HB ALA 69 HB1 ALA 69 6.648 -5.012 -6.596 520 H GLU 70 HN GLU 70 11.021 -5.647 -6.417 521 HA GLU 70 HA GLU 70 12.516 -4.187 -7.501 522 1HB GLU 70 HB2 GLU 70 10.648 -4.697 -9.834 523 2HB GLU 70 HB1 GLU 70 12.282 -4.049 -9.945 524 1HG GLU 70 HG2 GLU 70 11.606 -6.763 -8.795 525 2HG GLU 70 HG1 GLU 70 12.135 -6.483 -10.452 526 H VAL 71 HN VAL 71 10.717 -2.723 -5.999 527 HA VAL 71 HA VAL 71 9.167 -0.884 -7.553 528 HB VAL 71 HB VAL 71 10.475 -0.330 -4.870 529 1HG1 VAL 71 HG11 VAL 71 8.126 0.837 -6.393 530 2HG1 VAL 71 HG13 VAL 71 8.380 1.120 -4.669 531 3HG1 VAL 71 HG12 VAL 71 9.580 1.666 -5.844 532 1HG2 VAL 71 HG21 VAL 71 7.914 -1.795 -5.602 533 2HG2 VAL 71 HG23 VAL 71 9.237 -2.369 -4.591 534 3HG2 VAL 71 HG22 VAL 71 8.174 -1.091 -4.006 535 H LYS 72 HN LYS 72 9.775 0.930 -8.647 536 HA LYS 72 HA LYS 72 12.682 1.575 -8.699 537 1HB LYS 72 HB2 LYS 72 10.489 2.138 -10.703 538 2HB LYS 72 HB1 LYS 72 12.187 2.553 -10.917 539 1HG LYS 72 HG2 LYS 72 11.333 -0.304 -10.343 540 2HG LYS 72 HG1 LYS 72 11.344 0.331 -11.987 541 1HD LYS 72 HD2 LYS 72 13.782 1.027 -11.542 542 2HD LYS 72 HD1 LYS 72 13.689 0.014 -10.101 543 1HE LYS 72 HE2 LYS 72 13.077 -1.925 -11.503 544 2HE LYS 72 HE1 LYS 72 13.168 -0.907 -12.944 545 1HZ LYS 72 HZ2 LYS 72 15.512 -0.368 -12.015 546 2HZ LYS 72 HZ1 LYS 72 15.329 -1.842 -11.192 547 3HZ LYS 72 HZ3 LYS 72 15.261 -1.804 -12.886 548 H ALA 73 HN ALA 73 9.684 2.783 -7.610 549 HA ALA 73 HA ALA 73 10.967 5.268 -6.771 550 1HB ALA 73 HB1 ALA 73 9.267 5.180 -9.181 551 2HB ALA 73 HB3 ALA 73 8.794 6.428 -8.030 552 3HB ALA 73 HB2 ALA 73 10.432 6.406 -8.684 553 H THR 74 HN THR 74 9.642 6.479 -5.240 554 HA THR 74 HA THR 74 7.162 5.078 -4.305 555 HB THR 74 HB THR 74 7.845 5.353 -1.992 556 HG1 THR 74 HG1 THR 74 9.500 7.173 -3.123 557 1HG2 THR 74 HG21 THR 74 10.043 4.266 -3.726 558 2HG2 THR 74 HG23 THR 74 10.064 4.147 -1.969 559 3HG2 THR 74 HG22 THR 74 8.777 3.372 -2.893 560 HA PRO 75 HA PRO 75 5.733 5.707 -2.392 561 1HB PRO 75 HB2 PRO 75 3.165 6.722 -2.535 562 2HB PRO 75 HB1 PRO 75 4.344 7.160 -1.291 563 1HG PRO 75 HG2 PRO 75 3.438 8.728 -3.652 564 2HG PRO 75 HG1 PRO 75 4.045 9.293 -2.089 565 1HD PRO 75 HD2 PRO 75 5.513 9.237 -4.497 566 2HD PRO 75 HD1 PRO 75 6.211 9.412 -2.863 567 H THR 76 HN THR 76 4.764 3.835 -3.130 568 HA THR 76 HA THR 76 3.453 3.915 -5.821 569 HB THR 76 HB THR 76 5.355 1.754 -4.859 570 HG1 THR 76 HG1 THR 76 6.416 3.652 -5.508 571 1HG2 THR 76 HG22 THR 76 3.706 2.160 -7.357 572 2HG2 THR 76 HG21 THR 76 5.059 1.029 -7.284 573 3HG2 THR 76 HG23 THR 76 3.653 0.790 -6.245 574 H PHE 77 HN PHE 77 1.508 2.966 -5.788 575 HA PHE 77 HA PHE 77 0.724 1.409 -3.357 576 1HB PHE 77 HB2 PHE 77 -0.963 2.819 -5.441 577 2HB PHE 77 HB1 PHE 77 -1.565 2.043 -3.973 578 HD1 PHE 77 HD1 PHE 77 -1.003 2.980 -1.725 579 HD2 PHE 77 HD2 PHE 77 0.185 4.936 -5.371 580 HE1 PHE 77 HE1 PHE 77 -0.498 5.050 -0.455 581 HE2 PHE 77 HE2 PHE 77 0.683 7.005 -4.094 582 HZ PHE 77 HZ PHE 77 0.345 7.065 -1.636 583 H GLN 78 HN GLN 78 0.261 -0.750 -3.601 584 HA GLN 78 HA GLN 78 -0.230 -1.781 -6.381 585 1HB GLN 78 HB2 GLN 78 1.330 -3.057 -4.126 586 2HB GLN 78 HB1 GLN 78 0.796 -3.936 -5.555 587 1HG GLN 78 HG2 GLN 78 2.013 -2.232 -6.964 588 2HG GLN 78 HG1 GLN 78 2.685 -1.561 -5.478 589 1HE2 GLN 78 HE22 GLN 78 5.354 -3.869 -6.048 590 2HE2 GLN 78 HE21 GLN 78 4.901 -2.233 -6.086 591 H PHE 79 HN PHE 79 -1.916 -3.124 -6.625 592 HA PHE 79 HA PHE 79 -3.679 -3.550 -4.243 593 1HB PHE 79 HB2 PHE 79 -4.251 -3.519 -7.216 594 2HB PHE 79 HB1 PHE 79 -5.451 -3.870 -5.966 595 HD1 PHE 79 HD2 PHE 79 -3.054 -1.340 -7.201 596 HD2 PHE 79 HD1 PHE 79 -6.405 -2.121 -4.656 597 HE1 PHE 79 HE2 PHE 79 -3.301 1.080 -6.794 598 HE2 PHE 79 HE1 PHE 79 -6.665 0.305 -4.236 599 HZ PHE 79 HZ PHE 79 -5.111 1.912 -5.310 600 H PHE 80 HN PHE 80 -4.251 -5.554 -3.635 601 HA PHE 80 HA PHE 80 -3.469 -7.874 -5.336 602 1HB PHE 80 HB2 PHE 80 -2.977 -7.456 -2.389 603 2HB PHE 80 HB1 PHE 80 -2.921 -9.047 -3.143 604 HD1 PHE 80 HD2 PHE 80 -1.305 -5.698 -2.989 605 HD2 PHE 80 HD1 PHE 80 -1.123 -9.676 -4.630 606 HE1 PHE 80 HE2 PHE 80 1.045 -5.321 -3.675 607 HE2 PHE 80 HE1 PHE 80 1.229 -9.285 -5.305 608 HZ PHE 80 HZ PHE 80 2.311 -7.108 -4.827 609 H LYS 81 HN LYS 81 -4.891 -9.703 -5.109 610 HA LYS 81 HA LYS 81 -7.254 -9.387 -3.347 611 1HB LYS 81 HB2 LYS 81 -7.689 -8.305 -5.651 612 2HB LYS 81 HB1 LYS 81 -7.563 -9.927 -6.316 613 1HG LYS 81 HG2 LYS 81 -9.876 -9.662 -5.958 614 2HG LYS 81 HG1 LYS 81 -9.336 -10.589 -4.566 615 1HD LYS 81 HD2 LYS 81 -9.456 -8.718 -3.115 616 2HD LYS 81 HD1 LYS 81 -9.499 -7.571 -4.451 617 1HE LYS 81 HE2 LYS 81 -11.686 -9.605 -3.935 618 2HE LYS 81 HE1 LYS 81 -11.734 -7.955 -3.316 619 1HZ LYS 81 HZ2 LYS 81 -11.413 -7.228 -5.678 620 2HZ LYS 81 HZ1 LYS 81 -11.700 -8.836 -6.143 621 3HZ LYS 81 HZ3 LYS 81 -12.912 -7.960 -5.341 622 H LYS 82 HN LYS 82 -7.697 -11.402 -2.489 623 HA LYS 82 HA LYS 82 -7.444 -13.706 -2.111 624 1HB LYS 82 HB2 LYS 82 -7.694 -13.721 -5.137 625 2HB LYS 82 HB1 LYS 82 -7.780 -15.157 -4.117 626 1HG LYS 82 HG2 LYS 82 -9.658 -13.947 -2.847 627 2HG LYS 82 HG1 LYS 82 -9.702 -12.820 -4.197 628 1HD LYS 82 HD2 LYS 82 -9.966 -14.869 -5.709 629 2HD LYS 82 HD1 LYS 82 -10.263 -15.788 -4.232 630 1HE LYS 82 HE2 LYS 82 -12.158 -14.355 -3.667 631 2HE LYS 82 HE1 LYS 82 -11.832 -13.325 -5.061 632 1HZ LYS 82 HZ1 LYS 82 -12.095 -16.123 -5.698 633 2HZ LYS 82 HZ3 LYS 82 -13.507 -15.439 -5.057 634 3HZ LYS 82 HZ2 LYS 82 -12.795 -14.768 -6.447 635 H GLY 83 HN GLY 83 -5.032 -12.082 -2.434 636 1HA GLY 83 HA2 GLY 83 -2.746 -12.580 -2.320 637 2HA GLY 83 HA1 GLY 83 -3.139 -14.261 -2.656 638 H GLN 84 HN GLN 84 -4.350 -11.849 -4.846 639 HA GLN 84 HA GLN 84 -2.169 -12.506 -6.791 640 1HB GLN 84 HB2 GLN 84 -5.151 -12.380 -7.281 641 2HB GLN 84 HB1 GLN 84 -3.948 -12.417 -8.569 642 1HG GLN 84 HG2 GLN 84 -3.057 -14.544 -7.638 643 2HG GLN 84 HG1 GLN 84 -4.345 -14.527 -6.433 644 1HE2 GLN 84 HE22 GLN 84 -6.825 -14.778 -9.272 645 2HE2 GLN 84 HE21 GLN 84 -6.489 -13.575 -8.121 646 H LYS 85 HN LYS 85 -1.462 -10.801 -8.078 647 HA LYS 85 HA LYS 85 -2.098 -8.080 -7.184 648 1HB LYS 85 HB2 LYS 85 0.176 -8.793 -7.929 649 2HB LYS 85 HB1 LYS 85 -0.457 -9.042 -9.556 650 1HG LYS 85 HG2 LYS 85 -1.138 -6.630 -9.602 651 2HG LYS 85 HG1 LYS 85 -0.343 -6.422 -8.037 652 1HD LYS 85 HD2 LYS 85 1.773 -7.283 -9.046 653 2HD LYS 85 HD1 LYS 85 0.961 -7.349 -10.609 654 1HE LYS 85 HE2 LYS 85 1.181 -4.814 -8.972 655 2HE LYS 85 HE1 LYS 85 2.342 -5.265 -10.219 656 1HZ LYS 85 HZ3 LYS 85 -0.121 -5.603 -11.375 657 2HZ LYS 85 HZ2 LYS 85 -0.256 -4.147 -10.510 658 3HZ LYS 85 HZ1 LYS 85 0.971 -4.337 -11.669 659 H VAL 86 HN VAL 86 -3.678 -6.807 -8.024 660 HA VAL 86 HA VAL 86 -4.815 -7.496 -10.713 661 HB VAL 86 HB VAL 86 -6.963 -6.506 -9.833 662 1HG1 VAL 86 HG12 VAL 86 -6.374 -9.013 -9.850 663 2HG1 VAL 86 HG11 VAL 86 -6.075 -8.834 -8.122 664 3HG1 VAL 86 HG13 VAL 86 -7.679 -8.505 -8.778 665 1HG2 VAL 86 HG23 VAL 86 -5.454 -6.686 -7.211 666 2HG2 VAL 86 HG22 VAL 86 -6.022 -5.209 -7.988 667 3HG2 VAL 86 HG21 VAL 86 -7.184 -6.381 -7.362 668 H GLY 87 HN GLY 87 -2.938 -5.190 -9.173 669 1HA GLY 87 HA2 GLY 87 -3.246 -3.300 -11.300 670 2HA GLY 87 HA1 GLY 87 -4.205 -2.746 -9.937 671 H GLU 88 HN GLU 88 -2.064 -1.236 -10.891 672 HA GLU 88 HA GLU 88 -0.490 -0.886 -8.485 673 1HB GLU 88 HB2 GLU 88 1.050 -2.503 -9.075 674 2HB GLU 88 HB1 GLU 88 0.635 -2.423 -10.778 675 1HG GLU 88 HG2 GLU 88 2.948 -1.675 -10.339 676 2HG GLU 88 HG1 GLU 88 1.982 -0.377 -11.021 677 H PHE 89 HN PHE 89 0.629 1.144 -8.520 678 HA PHE 89 HA PHE 89 0.993 2.636 -10.934 679 1HB PHE 89 HB2 PHE 89 -0.712 4.242 -10.874 680 2HB PHE 89 HB1 PHE 89 -1.542 2.725 -10.591 681 HD1 PHE 89 HD1 PHE 89 -0.110 5.712 -8.862 682 HD2 PHE 89 HD2 PHE 89 -2.825 2.394 -8.631 683 HE1 PHE 89 HE1 PHE 89 -1.111 6.678 -6.809 684 HE2 PHE 89 HE2 PHE 89 -3.821 3.359 -6.569 685 HZ PHE 89 HZ PHE 89 -2.976 5.509 -5.672 686 H SER 90 HN SER 90 1.925 4.768 -10.529 687 HA SER 90 HA SER 90 2.965 5.086 -7.735 688 1HB SER 90 HB2 SER 90 5.083 5.843 -8.725 689 2HB SER 90 HB1 SER 90 4.714 4.192 -9.231 690 HG SER 90 HG SER 90 5.347 5.579 -10.977 691 H GLY 91 HN GLY 91 3.730 7.307 -7.306 692 1HA GLY 91 HA2 GLY 91 3.748 9.666 -8.088 693 2HA GLY 91 HA1 GLY 91 2.215 9.361 -8.890 694 H ALA 92 HN ALA 92 2.972 11.296 -6.724 695 HA ALA 92 HA ALA 92 1.587 10.370 -4.330 696 1HB ALA 92 HB1 ALA 92 2.785 12.969 -5.265 697 2HB ALA 92 HB3 ALA 92 1.794 12.925 -3.809 698 3HB ALA 92 HB2 ALA 92 3.267 11.952 -3.910 699 H ASN 93 HN ASN 93 -0.345 9.776 -5.831 700 HA ASN 93 HA ASN 93 -2.226 12.111 -6.054 701 1HB ASN 93 HB2 ASN 93 -1.511 10.959 -8.232 702 2HB ASN 93 HB1 ASN 93 -2.355 9.529 -7.641 703 1HD2 ASN 93 HD22 ASN 93 -5.205 12.321 -7.640 704 2HD2 ASN 93 HD21 ASN 93 -4.025 12.182 -6.428 705 H LYS 94 HN LYS 94 -3.029 11.815 -3.918 706 HA LYS 94 HA LYS 94 -3.831 9.286 -2.808 707 1HB LYS 94 HB2 LYS 94 -5.109 10.738 -1.188 708 2HB LYS 94 HB1 LYS 94 -3.392 11.092 -1.313 709 1HG LYS 94 HG2 LYS 94 -5.061 12.631 -3.221 710 2HG LYS 94 HG1 LYS 94 -5.436 12.978 -1.538 711 1HD LYS 94 HD2 LYS 94 -2.582 12.965 -2.522 712 2HD LYS 94 HD1 LYS 94 -3.600 14.387 -2.694 713 1HE LYS 94 HE2 LYS 94 -3.167 13.001 -0.037 714 2HE LYS 94 HE1 LYS 94 -2.174 14.344 -0.604 715 1HZ LYS 94 HZ3 LYS 94 -4.334 15.560 -0.943 716 2HZ LYS 94 HZ2 LYS 94 -5.071 14.339 -0.023 717 3HZ LYS 94 HZ1 LYS 94 -3.857 15.309 0.664 718 H GLU 95 HN GLU 95 -5.589 11.630 -4.803 719 HA GLU 95 HA GLU 95 -8.203 10.543 -4.278 720 1HB GLU 95 HB2 GLU 95 -7.188 11.993 -6.747 721 2HB GLU 95 HB1 GLU 95 -8.874 11.714 -6.338 722 1HG GLU 95 HG2 GLU 95 -8.600 13.867 -5.498 723 2HG GLU 95 HG1 GLU 95 -8.219 12.912 -4.066 724 H LYS 96 HN LYS 96 -5.589 9.673 -6.437 725 HA LYS 96 HA LYS 96 -6.999 8.004 -8.245 726 1HB LYS 96 HB2 LYS 96 -4.568 8.767 -8.312 727 2HB LYS 96 HB1 LYS 96 -4.222 7.484 -7.170 728 1HG LYS 96 HG2 LYS 96 -4.770 5.779 -8.694 729 2HG LYS 96 HG1 LYS 96 -5.670 6.874 -9.745 730 1HD LYS 96 HD2 LYS 96 -3.570 8.045 -10.316 731 2HD LYS 96 HD1 LYS 96 -2.674 6.922 -9.299 732 1HE LYS 96 HE2 LYS 96 -3.359 5.044 -10.700 733 2HE LYS 96 HE1 LYS 96 -4.372 6.110 -11.676 734 1HZ LYS 96 HZ2 LYS 96 -1.505 6.688 -11.336 735 2HZ LYS 96 HZ1 LYS 96 -2.011 5.541 -12.483 736 3HZ LYS 96 HZ3 LYS 96 -2.548 7.146 -12.596 737 H LEU 97 HN LEU 97 -5.733 7.435 -4.998 738 HA LEU 97 HA LEU 97 -6.038 4.613 -4.891 739 1HB LEU 97 HB2 LEU 97 -6.251 6.785 -2.794 740 2HB LEU 97 HB1 LEU 97 -6.452 5.093 -2.382 741 HG LEU 97 HG LEU 97 -4.020 6.228 -3.771 742 1HD1 LEU 97 HD12 LEU 97 -4.570 5.592 -0.866 743 2HD1 LEU 97 HD11 LEU 97 -2.955 5.887 -1.511 744 3HD1 LEU 97 HD13 LEU 97 -4.170 7.166 -1.546 745 1HD2 LEU 97 HD21 LEU 97 -4.865 3.490 -2.838 746 2HD2 LEU 97 HD23 LEU 97 -3.926 3.941 -4.254 747 3HD2 LEU 97 HD22 LEU 97 -3.169 3.926 -2.671 748 H GLU 98 HN GLU 98 -8.287 7.254 -4.349 749 HA GLU 98 HA GLU 98 -10.463 5.699 -3.331 750 1HB GLU 98 HB2 GLU 98 -10.349 8.179 -3.228 751 2HB GLU 98 HB1 GLU 98 -10.615 8.245 -4.967 752 1HG GLU 98 HG2 GLU 98 -12.800 7.120 -4.681 753 2HG GLU 98 HG1 GLU 98 -12.536 7.053 -2.937 754 H ALA 99 HN ALA 99 -9.679 6.638 -6.680 755 HA ALA 99 HA ALA 99 -12.054 5.433 -7.776 756 1HB ALA 99 HB1 ALA 99 -10.749 7.164 -8.959 757 2HB ALA 99 HB3 ALA 99 -9.418 6.022 -9.147 758 3HB ALA 99 HB2 ALA 99 -10.961 5.720 -9.949 759 H THR 100 HN THR 100 -8.716 4.207 -7.510 760 HA THR 100 HA THR 100 -9.222 1.824 -8.972 761 HB THR 100 HB THR 100 -7.234 2.115 -6.704 762 HG1 THR 100 HG1 THR 100 -6.370 2.529 -9.256 763 1HG2 THR 100 HG22 THR 100 -7.443 0.386 -9.183 764 2HG2 THR 100 HG21 THR 100 -5.951 0.561 -8.262 765 3HG2 THR 100 HG23 THR 100 -7.376 -0.141 -7.502 766 H ILE 101 HN ILE 101 -9.587 2.539 -5.509 767 HA ILE 101 HA ILE 101 -10.208 -0.141 -4.654 768 HB ILE 101 HB ILE 101 -10.991 2.589 -3.580 769 1HG1 ILE 101 HG12 ILE 101 -9.124 0.574 -2.309 770 2HG1 ILE 101 HG11 ILE 101 -8.540 1.651 -3.577 771 1HG2 ILE 101 HG21 ILE 101 -11.549 -0.177 -2.466 772 2HG2 ILE 101 HG23 ILE 101 -11.536 1.270 -1.456 773 3HG2 ILE 101 HG22 ILE 101 -12.701 1.125 -2.771 774 1HD1 ILE 101 HD11 ILE 101 -9.316 3.600 -2.256 775 2HD1 ILE 101 HD13 ILE 101 -9.852 2.507 -0.980 776 3HD1 ILE 101 HD12 ILE 101 -8.138 2.638 -1.370 777 H ASN 102 HN ASN 102 -12.282 2.597 -5.612 778 HA ASN 102 HA ASN 102 -14.786 1.240 -5.438 779 1HB ASN 102 HB2 ASN 102 -14.557 3.716 -5.741 780 2HB ASN 102 HB1 ASN 102 -13.952 3.438 -7.373 781 1HD2 ASN 102 HD22 ASN 102 -17.917 3.519 -6.734 782 2HD2 ASN 102 HD21 ASN 102 -16.785 3.941 -5.540 783 H GLU 103 HN GLU 103 -12.341 1.460 -7.945 784 HA GLU 103 HA GLU 103 -13.817 0.151 -10.024 785 1HB GLU 103 HB2 GLU 103 -11.679 1.540 -10.219 786 2HB GLU 103 HB1 GLU 103 -10.820 0.130 -9.615 787 1HG GLU 103 HG2 GLU 103 -10.691 0.019 -12.007 788 2HG GLU 103 HG1 GLU 103 -11.858 -1.204 -11.510 789 H LEU 104 HN LEU 104 -11.626 -1.074 -7.472 790 HA LEU 104 HA LEU 104 -12.148 -3.859 -8.418 791 1HB LEU 104 HB2 LEU 104 -10.193 -2.833 -6.362 792 2HB LEU 104 HB1 LEU 104 -10.314 -4.497 -6.921 793 HG LEU 104 HG LEU 104 -9.670 -2.099 -8.658 794 1HD1 LEU 104 HD13 LEU 104 -7.987 -4.193 -7.291 795 2HD1 LEU 104 HD12 LEU 104 -7.425 -3.430 -8.778 796 3HD1 LEU 104 HD11 LEU 104 -7.750 -2.448 -7.351 797 1HD2 LEU 104 HD21 LEU 104 -10.085 -5.038 -9.212 798 2HD2 LEU 104 HD23 LEU 104 -10.639 -3.643 -10.138 799 3HD2 LEU 104 HD22 LEU 104 -8.947 -4.122 -10.200 800 H VAL 105 HN VAL 105 -13.622 -1.788 -6.257 801 HA VAL 105 HA VAL 105 -13.870 -3.539 -3.970 802 HB VAL 105 HB VAL 105 -14.409 -1.045 -4.035 803 1HG1 VAL 105 HG13 VAL 105 -15.950 -1.424 -6.105 804 2HG1 VAL 105 HG12 VAL 105 -17.158 -1.901 -4.919 805 3HG1 VAL 105 HG11 VAL 105 -16.467 -0.281 -4.867 806 1HG2 VAL 105 HG21 VAL 105 -16.448 -2.962 -2.880 807 2HG2 VAL 105 HG23 VAL 105 -14.942 -2.470 -2.112 808 3HG2 VAL 105 HG22 VAL 105 -16.229 -1.290 -2.371 809 HA PRO 59 HA PRO 106 14.732 14.503 -13.193 810 1HB PRO 59 HB2 PRO 106 16.827 13.355 -11.850 811 2HB PRO 59 HB1 PRO 106 16.935 13.890 -13.540 812 1HG PRO 59 HG2 PRO 106 17.905 15.248 -11.063 813 2HG PRO 59 HG1 PRO 106 18.668 15.133 -12.657 814 1HD PRO 59 HD2 PRO 106 17.300 17.368 -11.801 815 2HD PRO 59 HD1 PRO 106 17.465 16.919 -13.512 816 H ALA 60 HN ALA 107 15.307 16.341 -10.293 817 HA ALA 60 HA ALA 107 14.203 14.198 -8.558 818 1HB ALA 60 HB3 ALA 107 16.104 15.698 -7.807 819 2HB ALA 60 HB2 ALA 107 14.944 17.028 -7.775 820 3HB ALA 60 HB1 ALA 107 14.726 15.639 -6.711 821 H THR 61 HN THR 108 12.038 14.024 -8.335 822 HA THR 61 HA THR 108 10.332 16.484 -8.659 823 HB THR 61 HB THR 108 9.495 13.596 -9.056 824 HG1 THR 61 HG1 THR 108 10.871 14.022 -10.688 825 1HG2 THR 61 HG21 THR 108 8.219 16.246 -9.797 826 2HG2 THR 61 HG23 THR 108 7.555 14.649 -10.163 827 3HG2 THR 61 HG22 THR 108 7.696 15.188 -8.491 828 H LEU 62 HN LEU 109 9.197 17.070 -6.879 829 HA LEU 62 HA LEU 109 9.553 15.753 -4.365 830 1HB LEU 62 HB2 LEU 109 7.511 17.782 -5.302 831 2HB LEU 62 HB1 LEU 109 7.674 17.273 -3.625 832 HG LEU 62 HG LEU 109 9.957 18.436 -5.254 833 1HD1 LEU 62 HD11 LEU 109 8.036 19.785 -3.332 834 2HD1 LEU 62 HD13 LEU 109 9.533 20.517 -3.911 835 3HD1 LEU 62 HD12 LEU 109 8.237 20.140 -5.047 836 1HD2 LEU 62 HD23 LEU 109 9.586 17.612 -2.373 837 2HD2 LEU 62 HD22 LEU 109 10.952 17.319 -3.445 838 3HD2 LEU 62 HD21 LEU 109 10.701 18.920 -2.761 839 H LYS 63 HN LYS 110 7.105 15.452 -6.862 840 HA LYS 63 HA LYS 110 5.116 14.093 -5.337 841 1HB LYS 63 HB2 LYS 110 5.819 13.778 -8.268 842 2HB LYS 63 HB1 LYS 110 4.311 13.252 -7.523 843 1HG LYS 63 HG2 LYS 110 5.283 16.119 -7.433 844 2HG LYS 63 HG1 LYS 110 4.216 15.510 -8.696 845 1HD LYS 63 HD2 LYS 110 2.658 14.739 -6.798 846 2HD LYS 63 HD1 LYS 110 3.645 15.734 -5.728 847 1HE LYS 63 HE2 LYS 110 3.197 17.706 -7.110 848 2HE LYS 63 HE1 LYS 110 2.231 16.733 -8.213 849 1HZ LYS 63 HZ2 LYS 110 0.918 16.135 -6.086 850 2HZ LYS 63 HZ1 LYS 110 1.631 17.532 -5.432 851 3HZ LYS 63 HZ3 LYS 110 0.651 17.644 -6.815 852 H ILE 64 HN ILE 111 8.160 13.020 -6.601 853 HA ILE 64 HA ILE 111 7.588 10.230 -5.628 854 HB ILE 64 HB ILE 111 9.118 11.118 -8.101 855 1HG1 ILE 64 HG12 ILE 111 6.695 11.024 -8.432 856 2HG1 ILE 64 HG11 ILE 111 7.468 9.701 -9.293 857 1HG2 ILE 64 HG23 ILE 111 8.892 8.396 -6.804 858 2HG2 ILE 64 HG22 ILE 111 9.415 8.635 -8.472 859 3HG2 ILE 64 HG21 ILE 111 10.366 9.300 -7.143 860 1HD1 ILE 64 HD12 ILE 111 6.985 8.414 -6.981 861 2HD1 ILE 64 HD11 ILE 111 5.714 9.624 -6.878 862 3HD1 ILE 64 HD13 ILE 111 5.773 8.526 -8.248 863 H CYS 65 HN CYS 112 9.299 9.292 -4.438 864 HA CYS 65 HA CYS 112 11.595 11.087 -3.811 865 1HB CYS 65 HB2 CYS 112 10.825 8.485 -2.443 866 2HB CYS 65 HB1 CYS 112 12.008 9.663 -1.888 867 H SER 66 HN SER 113 13.582 10.575 -4.691 868 HA SER 66 HA SER 113 13.712 8.329 -6.547 869 1HB SER 66 HB2 SER 113 15.839 10.297 -5.666 870 2HB SER 66 HB1 SER 113 16.018 9.126 -6.973 871 HG SER 66 HG SER 113 14.717 10.272 -8.190 872 H TRP 67 HN TRP 114 14.813 6.432 -6.330 873 HA TRP 67 HA TRP 114 15.500 5.547 -3.645 874 1HB TRP 67 HB2 TRP 114 15.779 4.231 -6.364 875 2HB TRP 67 HB1 TRP 114 16.251 3.442 -4.856 876 HD1 TRP 67 HD1 TRP 114 13.160 5.427 -6.044 877 HE1 TRP 67 HE1 TRP 114 11.050 4.205 -5.224 878 HE3 TRP 67 HE3 TRP 114 15.284 1.447 -3.660 879 HZ2 TRP 67 HZ2 TRP 114 10.367 1.885 -3.713 880 HZ3 TRP 67 HZ3 TRP 114 13.885 -0.245 -2.539 881 HH2 TRP 67 HH2 TRP 114 11.424 -0.037 -2.576 882 H ASN 68 HN ASN 115 17.156 7.245 -6.061 883 HA ASN 68 HA ASN 115 19.792 6.313 -5.991 884 1HB ASN 68 HB2 ASN 115 18.726 9.153 -5.967 885 2HB ASN 68 HB1 ASN 115 20.431 8.767 -6.207 886 1HD2 ASN 68 HD22 ASN 115 18.473 6.759 -9.075 887 2HD2 ASN 68 HD21 ASN 115 18.458 6.296 -7.443 888 H VAL 69 HN VAL 116 17.889 7.409 -3.379 889 HA VAL 69 HA VAL 116 19.923 8.505 -1.672 890 HB VAL 69 HB VAL 116 18.341 7.800 0.181 891 1HG1 VAL 69 HG13 VAL 116 18.174 9.965 -1.134 892 2HG1 VAL 69 HG12 VAL 116 16.948 9.177 -2.129 893 3HG1 VAL 69 HG11 VAL 116 16.664 9.420 -0.405 894 1HG2 VAL 69 HG21 VAL 116 17.510 5.779 -1.148 895 2HG2 VAL 69 HG23 VAL 116 16.259 6.751 -0.372 896 3HG2 VAL 69 HG22 VAL 116 16.557 6.919 -2.098 897 H ASP 70 HN ASP 117 21.271 7.422 -0.131 898 HA ASP 70 HA ASP 117 22.275 4.874 -0.883 899 1HB ASP 70 HB2 ASP 117 22.423 6.348 1.762 900 2HB ASP 70 HB1 ASP 117 23.311 4.861 1.425 901 H GLY 71 HN GLY 118 19.884 5.785 1.578 902 1HA GLY 71 HA2 GLY 118 18.312 4.478 2.717 903 2HA GLY 71 HA1 GLY 118 18.446 3.337 1.379 No H/Q in entry = 903 Start of MODEL 15 1 1H MET 1 HT2 MET 1 -8.871 -2.171 9.504 2 2H MET 1 HT1 MET 1 -9.655 -2.046 11.006 3 3H MET 1 HT3 MET 1 -9.439 -0.663 10.047 4 HA MET 1 HA MET 1 -7.701 -0.310 11.404 5 1HB MET 1 HB2 MET 1 -6.678 -2.009 12.756 6 2HB MET 1 HB1 MET 1 -8.411 -2.327 12.760 7 1HG MET 1 HG2 MET 1 -8.046 -3.980 10.903 8 2HG MET 1 HG1 MET 1 -6.309 -3.743 11.093 9 1HE MET 1 HE1 MET 1 -9.265 -5.675 11.941 10 2HE MET 1 HE3 MET 1 -9.193 -6.115 13.651 11 3HE MET 1 HE2 MET 1 -9.591 -4.466 13.177 12 H VAL 2 HN VAL 2 -5.337 -0.376 11.117 13 HA VAL 2 HA VAL 2 -4.610 -1.156 8.328 14 HB VAL 2 HB VAL 2 -3.255 0.658 10.348 15 1HG1 VAL 2 HG13 VAL 2 -2.564 -0.058 7.485 16 2HG1 VAL 2 HG12 VAL 2 -1.896 1.342 8.325 17 3HG1 VAL 2 HG11 VAL 2 -1.557 -0.286 8.917 18 1HG2 VAL 2 HG23 VAL 2 -4.995 1.124 7.921 19 2HG2 VAL 2 HG22 VAL 2 -5.235 1.723 9.563 20 3HG2 VAL 2 HG21 VAL 2 -3.939 2.379 8.565 21 H LYS 3 HN LYS 3 -2.481 -2.197 7.974 22 HA LYS 3 HA LYS 3 -1.434 -3.701 10.349 23 1HB LYS 3 HB2 LYS 3 -2.894 -5.127 8.826 24 2HB LYS 3 HB1 LYS 3 -1.717 -4.836 7.547 25 1HG LYS 3 HG2 LYS 3 -0.982 -6.879 8.434 26 2HG LYS 3 HG1 LYS 3 0.029 -5.721 9.294 27 1HD LYS 3 HD2 LYS 3 -1.480 -5.805 11.232 28 2HD LYS 3 HD1 LYS 3 -2.571 -6.877 10.356 29 1HE LYS 3 HE2 LYS 3 -0.701 -8.535 10.175 30 2HE LYS 3 HE1 LYS 3 0.279 -7.482 11.197 31 1HZ LYS 3 HZ3 LYS 3 -2.355 -8.051 12.239 32 2HZ LYS 3 HZ2 LYS 3 -1.352 -9.417 12.111 33 3HZ LYS 3 HZ1 LYS 3 -0.850 -8.073 13.021 34 H GLN 4 HN GLN 4 0.755 -3.476 10.553 35 HA GLN 4 HA GLN 4 2.226 -2.156 8.322 36 1HB GLN 4 HB2 GLN 4 2.432 -1.206 10.620 37 2HB GLN 4 HB1 GLN 4 3.111 -2.736 11.166 38 1HG GLN 4 HG2 GLN 4 4.987 -2.508 9.625 39 2HG GLN 4 HG1 GLN 4 4.294 -1.033 8.951 40 1HE2 GLN 4 HE22 GLN 4 6.431 0.592 11.300 41 2HE2 GLN 4 HE21 GLN 4 6.230 0.180 9.663 42 H ILE 5 HN ILE 5 3.443 -3.399 7.017 43 HA ILE 5 HA ILE 5 4.111 -6.188 7.857 44 HB ILE 5 HB ILE 5 4.402 -4.888 5.140 45 1HG1 ILE 5 HG12 ILE 5 2.063 -4.744 5.737 46 2HG1 ILE 5 HG11 ILE 5 2.250 -6.084 4.609 47 1HG2 ILE 5 HG22 ILE 5 5.630 -7.077 5.791 48 2HG2 ILE 5 HG21 ILE 5 4.029 -7.817 5.754 49 3HG2 ILE 5 HG23 ILE 5 4.683 -7.057 4.307 50 1HD1 ILE 5 HD13 ILE 5 2.499 -7.554 6.751 51 2HD1 ILE 5 HD12 ILE 5 1.771 -6.179 7.582 52 3HD1 ILE 5 HD11 ILE 5 0.887 -6.999 6.295 53 H GLU 6 HN GLU 6 6.118 -6.301 8.800 54 HA GLU 6 HA GLU 6 8.237 -4.391 7.914 55 1HB GLU 6 HB2 GLU 6 8.165 -6.310 10.259 56 2HB GLU 6 HB1 GLU 6 9.449 -5.149 9.917 57 1HG GLU 6 HG2 GLU 6 7.854 -3.292 10.153 58 2HG GLU 6 HG1 GLU 6 6.549 -4.441 10.468 59 H SER 7 HN SER 7 7.142 -7.461 7.180 60 HA SER 7 HA SER 7 9.721 -8.110 5.895 61 1HB SER 7 HB2 SER 7 9.782 -10.404 6.830 62 2HB SER 7 HB1 SER 7 9.962 -9.186 8.097 63 HG SER 7 HG SER 7 8.294 -10.122 8.957 64 H LYS 8 HN LYS 8 9.520 -9.767 4.273 65 HA LYS 8 HA LYS 8 7.016 -9.722 2.864 66 1HB LYS 8 HB2 LYS 8 9.308 -10.114 1.829 67 2HB LYS 8 HB1 LYS 8 9.228 -11.744 2.502 68 1HG LYS 8 HG2 LYS 8 7.129 -12.159 1.281 69 2HG LYS 8 HG1 LYS 8 7.203 -10.532 0.608 70 1HD LYS 8 HD2 LYS 8 8.038 -12.235 -0.993 71 2HD LYS 8 HD1 LYS 8 9.288 -11.075 -0.559 72 1HE LYS 8 HE2 LYS 8 9.862 -13.634 -0.568 73 2HE LYS 8 HE1 LYS 8 10.458 -12.627 0.751 74 1HZ LYS 8 HZ3 LYS 8 7.822 -13.882 1.018 75 2HZ LYS 8 HZ2 LYS 8 9.202 -14.853 1.218 76 3HZ LYS 8 HZ1 LYS 8 8.959 -13.500 2.215 77 H THR 9 HN THR 9 8.458 -11.900 5.200 78 HA THR 9 HA THR 9 6.794 -14.153 4.848 79 HB THR 9 HB THR 9 7.755 -13.003 7.478 80 HG1 THR 9 HG1 THR 9 9.605 -14.073 7.105 81 1HG2 THR 9 HG22 THR 9 6.602 -15.650 6.644 82 2HG2 THR 9 HG21 THR 9 7.824 -15.611 7.914 83 3HG2 THR 9 HG23 THR 9 6.318 -14.719 8.115 84 H ALA 10 HN ALA 10 6.256 -11.261 6.858 85 HA ALA 10 HA ALA 10 3.607 -12.057 7.702 86 1HB ALA 10 HB3 ALA 10 5.060 -9.397 7.637 87 2HB ALA 10 HB2 ALA 10 3.394 -9.535 8.200 88 3HB ALA 10 HB1 ALA 10 4.684 -10.395 9.043 89 H PHE 11 HN PHE 11 4.883 -10.368 4.899 90 HA PHE 11 HA PHE 11 2.485 -9.163 3.961 91 1HB PHE 11 HB2 PHE 11 4.833 -8.900 3.012 92 2HB PHE 11 HB1 PHE 11 4.628 -10.461 2.248 93 HD1 PHE 11 HD1 PHE 11 2.756 -7.228 2.616 94 HD2 PHE 11 HD2 PHE 11 3.850 -10.495 0.049 95 HE1 PHE 11 HE1 PHE 11 1.580 -6.141 0.723 96 HE2 PHE 11 HE2 PHE 11 2.675 -9.408 -1.840 97 HZ PHE 11 HZ PHE 11 1.537 -7.230 -1.503 98 H GLN 12 HN GLN 12 3.844 -12.402 3.372 99 HA GLN 12 HA GLN 12 1.735 -13.322 1.660 100 1HB GLN 12 HB2 GLN 12 3.514 -14.898 3.560 101 2HB GLN 12 HB1 GLN 12 2.590 -15.575 2.217 102 1HG GLN 12 HG2 GLN 12 4.750 -13.457 1.940 103 2HG GLN 12 HG1 GLN 12 4.976 -15.178 1.615 104 1HE2 GLN 12 HE22 GLN 12 2.446 -14.912 -1.156 105 2HE2 GLN 12 HE21 GLN 12 2.511 -15.771 0.307 106 H GLU 13 HN GLU 13 2.225 -13.455 5.164 107 HA GLU 13 HA GLU 13 -0.129 -14.972 5.783 108 1HB GLU 13 HB2 GLU 13 1.455 -12.961 7.419 109 2HB GLU 13 HB1 GLU 13 0.224 -14.022 8.087 110 1HG GLU 13 HG2 GLU 13 2.710 -14.966 6.630 111 2HG GLU 13 HG1 GLU 13 2.520 -14.941 8.384 112 H ALA 14 HN ALA 14 0.457 -11.513 5.401 113 HA ALA 14 HA ALA 14 -2.121 -10.678 6.363 114 1HB ALA 14 HB1 ALA 14 0.007 -9.261 5.976 115 2HB ALA 14 HB3 ALA 14 -0.507 -9.189 4.291 116 3HB ALA 14 HB2 ALA 14 -1.542 -8.530 5.559 117 H LEU 15 HN LEU 15 -0.861 -11.421 3.120 118 HA LEU 15 HA LEU 15 -3.196 -10.700 1.666 119 1HB LEU 15 HB2 LEU 15 -1.089 -12.818 1.149 120 2HB LEU 15 HB1 LEU 15 -2.324 -12.371 -0.025 121 HG LEU 15 HG LEU 15 -0.414 -10.382 1.223 122 1HD1 LEU 15 HD13 LEU 15 -0.152 -12.089 -1.248 123 2HD1 LEU 15 HD12 LEU 15 0.618 -10.503 -1.177 124 3HD1 LEU 15 HD11 LEU 15 1.050 -11.745 -0.004 125 1HD2 LEU 15 HD23 LEU 15 -2.510 -10.263 -0.939 126 2HD2 LEU 15 HD22 LEU 15 -2.170 -9.111 0.354 127 3HD2 LEU 15 HD21 LEU 15 -1.107 -9.198 -1.045 128 H ASP 16 HN ASP 16 -2.242 -13.691 3.293 129 HA ASP 16 HA ASP 16 -4.561 -15.171 2.466 130 1HB ASP 16 HB2 ASP 16 -2.388 -16.167 3.293 131 2HB ASP 16 HB1 ASP 16 -2.887 -15.705 4.925 132 H ALA 17 HN ALA 17 -3.836 -13.100 5.225 133 HA ALA 17 HA ALA 17 -6.136 -13.791 6.800 134 1HB ALA 17 HB3 ALA 17 -4.098 -12.550 7.627 135 2HB ALA 17 HB2 ALA 17 -4.683 -11.131 6.754 136 3HB ALA 17 HB1 ALA 17 -5.628 -11.801 8.082 137 H ALA 18 HN ALA 18 -5.572 -11.261 4.366 138 HA ALA 18 HA ALA 18 -8.077 -9.925 4.645 139 1HB ALA 18 HB2 ALA 18 -6.096 -9.097 3.318 140 2HB ALA 18 HB1 ALA 18 -6.512 -10.278 2.076 141 3HB ALA 18 HB3 ALA 18 -7.636 -8.978 2.467 142 H GLY 19 HN GLY 19 -7.168 -12.852 2.902 143 1HA GLY 19 HA2 GLY 19 -8.547 -14.498 1.944 144 2HA GLY 19 HA1 GLY 19 -9.913 -13.712 2.738 145 H ASP 20 HN ASP 20 -11.401 -13.089 1.277 146 HA ASP 20 HA ASP 20 -10.602 -12.488 -1.504 147 1HB ASP 20 HB2 ASP 20 -13.331 -12.679 -0.204 148 2HB ASP 20 HB1 ASP 20 -13.027 -12.507 -1.934 149 H LYS 21 HN LYS 21 -10.730 -10.696 1.253 150 HA LYS 21 HA LYS 21 -12.207 -8.378 0.285 151 1HB LYS 21 HB2 LYS 21 -10.259 -8.763 2.581 152 2HB LYS 21 HB1 LYS 21 -11.070 -7.232 2.251 153 1HG LYS 21 HG2 LYS 21 -13.266 -8.618 2.320 154 2HG LYS 21 HG1 LYS 21 -12.289 -9.858 3.105 155 1HD LYS 21 HD2 LYS 21 -11.570 -8.115 4.782 156 2HD LYS 21 HD1 LYS 21 -12.754 -7.021 4.059 157 1HE LYS 21 HE2 LYS 21 -13.405 -9.751 5.200 158 2HE LYS 21 HE1 LYS 21 -13.659 -8.225 6.045 159 1HZ LYS 21 HZ1 LYS 21 -15.020 -7.544 4.063 160 2HZ LYS 21 HZ3 LYS 21 -14.955 -9.159 3.552 161 3HZ LYS 21 HZ2 LYS 21 -15.696 -8.767 5.030 162 H LEU 22 HN LEU 22 -11.305 -6.397 -0.491 163 HA LEU 22 HA LEU 22 -9.088 -6.638 -2.245 164 1HB LEU 22 HB2 LEU 22 -11.068 -4.764 -1.780 165 2HB LEU 22 HB1 LEU 22 -9.654 -3.926 -1.173 166 HG LEU 22 HG LEU 22 -10.039 -5.036 -3.956 167 1HD1 LEU 22 HD11 LEU 22 -10.298 -2.347 -2.688 168 2HD1 LEU 22 HD13 LEU 22 -9.423 -2.369 -4.213 169 3HD1 LEU 22 HD12 LEU 22 -11.067 -2.993 -4.130 170 1HD2 LEU 22 HD23 LEU 22 -7.602 -3.886 -2.582 171 2HD2 LEU 22 HD22 LEU 22 -7.720 -5.355 -3.556 172 3HD2 LEU 22 HD21 LEU 22 -7.800 -3.780 -4.328 173 H VAL 23 HN VAL 23 -6.941 -5.533 -1.978 174 HA VAL 23 HA VAL 23 -6.132 -4.961 0.806 175 HB VAL 23 HB VAL 23 -4.806 -7.071 -0.929 176 1HG1 VAL 23 HG13 VAL 23 -4.007 -5.724 1.656 177 2HG1 VAL 23 HG12 VAL 23 -3.399 -7.321 1.221 178 3HG1 VAL 23 HG11 VAL 23 -3.051 -5.935 0.188 179 1HG2 VAL 23 HG22 VAL 23 -6.440 -7.160 1.610 180 2HG2 VAL 23 HG21 VAL 23 -6.684 -8.074 0.125 181 3HG2 VAL 23 HG23 VAL 23 -5.328 -8.459 1.183 182 H VAL 24 HN VAL 24 -5.326 -2.941 0.505 183 HA VAL 24 HA VAL 24 -3.768 -2.379 -1.974 184 HB VAL 24 HB VAL 24 -4.640 -0.432 0.188 185 1HG1 VAL 24 HG13 VAL 24 -2.754 0.214 -1.347 186 2HG1 VAL 24 HG12 VAL 24 -3.850 -0.003 -2.709 187 3HG1 VAL 24 HG11 VAL 24 -4.176 1.246 -1.509 188 1HG2 VAL 24 HG22 VAL 24 -6.035 -1.425 -2.304 189 2HG2 VAL 24 HG21 VAL 24 -6.681 -1.278 -0.670 190 3HG2 VAL 24 HG23 VAL 24 -6.383 0.168 -1.633 191 H VAL 25 HN VAL 25 -1.569 -1.823 -1.843 192 HA VAL 25 HA VAL 25 -0.302 -2.038 0.877 193 HB VAL 25 HB VAL 25 0.825 -3.032 -1.762 194 1HG1 VAL 25 HG11 VAL 25 2.426 -2.334 0.108 195 2HG1 VAL 25 HG13 VAL 25 1.738 -3.660 1.046 196 3HG1 VAL 25 HG12 VAL 25 2.579 -3.993 -0.465 197 1HG2 VAL 25 HG22 VAL 25 -1.199 -4.303 -0.910 198 2HG2 VAL 25 HG21 VAL 25 0.275 -5.262 -1.025 199 3HG2 VAL 25 HG23 VAL 25 -0.269 -4.668 0.542 200 H ASP 26 HN ASP 26 0.700 -0.176 1.409 201 HA ASP 26 HA ASP 26 1.498 1.720 -0.763 202 1HB ASP 26 HB2 ASP 26 0.085 2.633 1.019 203 2HB ASP 26 HB1 ASP 26 1.257 2.138 2.238 204 H PHE 27 HN PHE 27 3.577 1.706 -1.388 205 HA PHE 27 HA PHE 27 5.684 0.583 0.390 206 1HB PHE 27 HB2 PHE 27 5.595 1.247 -2.560 207 2HB PHE 27 HB1 PHE 27 7.106 0.858 -1.732 208 HD1 PHE 27 HD1 PHE 27 7.360 -1.361 -0.593 209 HD2 PHE 27 HD2 PHE 27 4.046 -0.463 -3.173 210 HE1 PHE 27 HE1 PHE 27 6.904 -3.783 -0.850 211 HE2 PHE 27 HE2 PHE 27 3.589 -2.886 -3.415 212 HZ PHE 27 HZ PHE 27 5.019 -4.547 -2.265 213 H SER 28 HN SER 28 4.396 3.362 0.585 214 HA SER 28 HA SER 28 6.237 5.323 -0.264 215 1HB SER 28 HB2 SER 28 4.582 5.328 2.273 216 2HB SER 28 HB1 SER 28 5.327 6.738 1.530 217 HG SER 28 HG SER 28 3.960 5.525 -0.359 218 H ALA 29 HN ALA 29 8.057 6.238 0.658 219 HA ALA 29 HA ALA 29 9.543 4.501 2.507 220 1HB ALA 29 HB3 ALA 29 10.163 6.939 0.859 221 2HB ALA 29 HB2 ALA 29 11.216 6.565 2.225 222 3HB ALA 29 HB1 ALA 29 11.011 5.396 0.921 223 H THR 30 HN THR 30 9.546 4.820 4.694 224 HA THR 30 HA THR 30 7.916 6.910 5.822 225 HB THR 30 HB THR 30 8.244 4.781 6.995 226 HG1 THR 30 HG1 THR 30 8.402 7.155 8.030 227 1HG2 THR 30 HG21 THR 30 10.653 4.549 6.191 228 2HG2 THR 30 HG23 THR 30 11.094 5.637 7.509 229 3HG2 THR 30 HG22 THR 30 10.346 4.079 7.863 230 H TRP 31 HN TRP 31 11.360 6.568 5.132 231 HA TRP 31 HA TRP 31 12.145 8.905 6.681 232 1HB TRP 31 HB2 TRP 31 14.267 8.745 5.475 233 2HB TRP 31 HB1 TRP 31 13.763 7.159 6.060 234 HD1 TRP 31 HD1 TRP 31 13.264 5.335 4.337 235 HE1 TRP 31 HE1 TRP 31 13.493 5.164 1.773 236 HE3 TRP 31 HE3 TRP 31 13.917 10.250 3.212 237 HZ2 TRP 31 HZ2 TRP 31 13.865 6.912 -0.462 238 HZ3 TRP 31 HZ3 TRP 31 14.180 10.983 0.864 239 HH2 TRP 31 HH2 TRP 31 14.154 9.322 -0.975 240 H CYS 32 HN CYS 32 10.731 8.483 3.527 241 HA CYS 32 HA CYS 32 11.672 11.084 2.546 242 1HB CYS 32 HB2 CYS 32 11.158 9.072 1.068 243 2HB CYS 32 HB1 CYS 32 9.459 9.349 1.410 244 H GLY 33 HN GLY 33 10.775 12.951 3.114 245 1HA GLY 33 HA2 GLY 33 8.566 13.151 4.890 246 2HA GLY 33 HA1 GLY 33 9.279 14.496 4.010 247 HA PRO 34 HA PRO 34 5.900 14.734 1.216 248 1HB PRO 34 HB2 PRO 34 6.805 13.723 -1.280 249 2HB PRO 34 HB1 PRO 34 6.884 15.399 -0.723 250 1HG PRO 34 HG2 PRO 34 9.046 13.400 -0.925 251 2HG PRO 34 HG1 PRO 34 9.155 15.164 -0.816 252 1HD PRO 34 HD2 PRO 34 9.775 13.371 1.248 253 2HD PRO 34 HD1 PRO 34 9.474 15.106 1.467 254 H ALA 35 HN ALA 35 7.456 11.553 1.059 255 HA ALA 35 HA ALA 35 5.063 10.234 0.035 256 1HB ALA 35 HB2 ALA 35 7.585 9.469 -0.070 257 2HB ALA 35 HB1 ALA 35 7.230 8.755 1.504 258 3HB ALA 35 HB3 ALA 35 6.309 8.265 0.082 259 H LYS 36 HN LYS 36 6.717 10.202 3.211 260 HA LYS 36 HA LYS 36 4.671 8.761 4.579 261 1HB LYS 36 HB2 LYS 36 6.980 9.161 5.469 262 2HB LYS 36 HB1 LYS 36 6.530 10.840 5.768 263 1HG LYS 36 HG2 LYS 36 4.647 10.031 7.213 264 2HG LYS 36 HG1 LYS 36 5.232 8.382 6.986 265 1HD LYS 36 HD2 LYS 36 7.402 9.008 7.973 266 2HD LYS 36 HD1 LYS 36 6.831 10.662 8.191 267 1HE LYS 36 HE2 LYS 36 5.030 9.839 9.678 268 2HE LYS 36 HE1 LYS 36 5.627 8.190 9.476 269 1HZ LYS 36 HZ3 LYS 36 7.862 9.398 10.198 270 2HZ LYS 36 HZ2 LYS 36 6.751 10.404 10.999 271 3HZ LYS 36 HZ1 LYS 36 6.780 8.737 11.324 272 H MET 37 HN MET 37 5.128 12.223 4.000 273 HA MET 37 HA MET 37 3.084 13.196 5.711 274 1HB MET 37 HB2 MET 37 4.791 14.599 4.490 275 2HB MET 37 HB1 MET 37 3.831 14.380 3.024 276 1HG MET 37 HG2 MET 37 1.859 15.335 4.220 277 2HG MET 37 HG1 MET 37 2.890 15.642 5.616 278 1HE MET 37 HE2 MET 37 5.006 16.794 5.553 279 2HE MET 37 HE1 MET 37 5.206 18.363 4.773 280 3HE MET 37 HE3 MET 37 3.886 18.103 5.924 281 H ILE 38 HN ILE 38 2.934 11.674 2.586 282 HA ILE 38 HA ILE 38 0.151 12.403 2.082 283 HB ILE 38 HB ILE 38 2.066 10.472 0.745 284 1HG1 ILE 38 HG12 ILE 38 0.837 12.995 -0.380 285 2HG1 ILE 38 HG11 ILE 38 2.308 13.052 0.590 286 1HG2 ILE 38 HG21 ILE 38 -0.838 11.071 0.183 287 2HG2 ILE 38 HG23 ILE 38 0.251 10.569 -1.110 288 3HG2 ILE 38 HG22 ILE 38 -0.028 9.506 0.266 289 1HD1 ILE 38 HD13 ILE 38 3.333 11.389 -0.971 290 2HD1 ILE 38 HD12 ILE 38 1.895 11.518 -1.981 291 3HD1 ILE 38 HD11 ILE 38 2.933 12.926 -1.732 292 H LYS 39 HN LYS 39 1.554 10.173 4.202 293 HA LYS 39 HA LYS 39 -0.120 7.929 3.697 294 1HB LYS 39 HB2 LYS 39 0.553 6.948 5.694 295 2HB LYS 39 HB1 LYS 39 1.940 7.922 5.224 296 1HG LYS 39 HG2 LYS 39 1.170 9.703 6.795 297 2HG LYS 39 HG1 LYS 39 -0.147 8.664 7.312 298 1HD LYS 39 HD2 LYS 39 2.815 8.322 7.749 299 2HD LYS 39 HD1 LYS 39 1.523 8.375 8.944 300 1HE LYS 39 HE2 LYS 39 0.663 6.200 7.907 301 2HE LYS 39 HE1 LYS 39 2.206 6.121 7.045 302 1HZ LYS 39 HZ1 LYS 39 2.166 6.574 9.948 303 2HZ LYS 39 HZ3 LYS 39 1.986 5.002 9.343 304 3HZ LYS 39 HZ2 LYS 39 3.387 5.895 8.986 305 HA PRO 40 HA PRO 40 -3.076 9.887 7.073 306 1HB PRO 40 HB2 PRO 40 -3.556 12.436 5.598 307 2HB PRO 40 HB1 PRO 40 -3.444 12.152 7.346 308 1HG PRO 40 HG2 PRO 40 -1.473 13.396 6.025 309 2HG PRO 40 HG1 PRO 40 -1.116 12.268 7.343 310 1HD PRO 40 HD2 PRO 40 -0.906 11.846 4.396 311 2HD PRO 40 HD1 PRO 40 0.173 11.255 5.675 312 H PHE 41 HN PHE 41 -3.313 10.745 3.582 313 HA PHE 41 HA PHE 41 -6.156 10.222 3.473 314 1HB PHE 41 HB2 PHE 41 -4.011 10.149 1.325 315 2HB PHE 41 HB1 PHE 41 -5.727 9.951 1.009 316 HD1 PHE 41 HD2 PHE 41 -3.316 12.293 2.638 317 HD2 PHE 41 HD1 PHE 41 -7.068 11.829 0.600 318 HE1 PHE 41 HE2 PHE 41 -3.575 14.758 2.558 319 HE2 PHE 41 HE1 PHE 41 -7.329 14.295 0.523 320 HZ PHE 41 HZ PHE 41 -5.581 15.760 1.498 321 H PHE 42 HN PHE 42 -3.265 8.285 2.691 322 HA PHE 42 HA PHE 42 -4.624 5.904 1.918 323 1HB PHE 42 HB2 PHE 42 -2.231 6.275 1.505 324 2HB PHE 42 HB1 PHE 42 -1.911 6.276 3.243 325 HD1 PHE 42 HD1 PHE 42 -3.166 4.165 0.432 326 HD2 PHE 42 HD2 PHE 42 -1.639 4.257 4.447 327 HE1 PHE 42 HE1 PHE 42 -2.991 1.693 0.432 328 HE2 PHE 42 HE2 PHE 42 -1.467 1.786 4.443 329 HZ PHE 42 HZ PHE 42 -2.148 0.499 2.434 330 H HIS 43 HN HIS 43 -3.200 6.753 5.078 331 HA HIS 43 HA HIS 43 -4.253 4.475 6.468 332 1HB HIS 43 HB2 HIS 43 -2.296 5.741 7.246 333 2HB HIS 43 HB1 HIS 43 -3.301 7.165 7.507 334 HD1 HIS 43 HD1 HIS 43 -2.341 3.916 9.029 335 HD2 HIS 43 HD2 HIS 43 -5.149 6.916 9.691 336 HE1 HIS 43 HE1 HIS 43 -3.326 3.480 11.325 337 H SER 44 HN SER 44 -5.454 7.820 6.125 338 HA SER 44 HA SER 44 -7.595 7.599 7.997 339 1HB SER 44 HB2 SER 44 -7.426 9.318 5.512 340 2HB SER 44 HB1 SER 44 -8.620 9.504 6.788 341 HG SER 44 HG SER 44 -7.140 10.729 7.647 342 H LEU 45 HN LEU 45 -7.435 6.832 4.540 343 HA LEU 45 HA LEU 45 -10.211 6.353 4.136 344 1HB LEU 45 HB2 LEU 45 -7.773 5.208 2.771 345 2HB LEU 45 HB1 LEU 45 -9.408 4.871 2.228 346 HG LEU 45 HG LEU 45 -8.477 7.725 2.596 347 1HD1 LEU 45 HD12 LEU 45 -8.108 5.966 0.152 348 2HD1 LEU 45 HD11 LEU 45 -7.958 7.722 0.139 349 3HD1 LEU 45 HD13 LEU 45 -6.833 6.748 1.086 350 1HD2 LEU 45 HD23 LEU 45 -10.613 6.356 0.940 351 2HD2 LEU 45 HD22 LEU 45 -10.842 7.496 2.263 352 3HD2 LEU 45 HD21 LEU 45 -10.167 8.048 0.737 353 H SER 46 HN SER 46 -7.818 4.441 5.776 354 HA SER 46 HA SER 46 -8.855 1.841 5.489 355 1HB SER 46 HB2 SER 46 -7.804 3.091 8.045 356 2HB SER 46 HB1 SER 46 -7.920 1.368 7.708 357 HG SER 46 HG SER 46 -6.395 3.266 6.243 358 H GLU 47 HN GLU 47 -9.983 4.530 7.456 359 HA GLU 47 HA GLU 47 -12.125 2.884 8.654 360 1HB GLU 47 HB2 GLU 47 -11.348 5.814 8.887 361 2HB GLU 47 HB1 GLU 47 -12.750 5.119 9.699 362 1HG GLU 47 HG2 GLU 47 -10.962 5.067 11.291 363 2HG GLU 47 HG1 GLU 47 -11.159 3.411 10.722 364 H LYS 48 HN LYS 48 -11.628 4.816 5.828 365 HA LYS 48 HA LYS 48 -14.444 5.593 5.541 366 1HB LYS 48 HB2 LYS 48 -12.581 6.903 4.473 367 2HB LYS 48 HB1 LYS 48 -12.282 5.525 3.414 368 1HG LYS 48 HG2 LYS 48 -14.644 5.660 2.621 369 2HG LYS 48 HG1 LYS 48 -14.866 7.100 3.613 370 1HD LYS 48 HD2 LYS 48 -13.038 8.217 2.371 371 2HD LYS 48 HD1 LYS 48 -12.875 6.786 1.353 372 1HE LYS 48 HE2 LYS 48 -15.150 7.056 0.533 373 2HE LYS 48 HE1 LYS 48 -15.417 8.404 1.639 374 1HZ LYS 48 HZ3 LYS 48 -13.151 8.534 -0.213 375 2HZ LYS 48 HZ2 LYS 48 -14.711 8.820 -0.823 376 3HZ LYS 48 HZ1 LYS 48 -14.094 9.789 0.430 377 H TYR 49 HN TYR 49 -12.260 3.094 4.399 378 HA TYR 49 HA TYR 49 -14.632 1.539 3.390 379 1HB TYR 49 HB2 TYR 49 -11.786 1.557 2.308 380 2HB TYR 49 HB1 TYR 49 -13.074 0.483 1.761 381 HD1 TYR 49 HD2 TYR 49 -15.315 1.673 1.048 382 HD2 TYR 49 HD1 TYR 49 -11.481 3.607 1.187 383 HE1 TYR 49 HE2 TYR 49 -16.138 3.417 -0.513 384 HE2 TYR 49 HE1 TYR 49 -12.303 5.346 -0.377 385 HH TYR 49 HH TYR 49 -14.459 5.217 -2.301 386 H SER 50 HN SER 50 -14.479 1.067 5.798 387 HA SER 50 HA SER 50 -12.322 -0.443 6.875 388 1HB SER 50 HB2 SER 50 -13.811 -0.918 8.691 389 2HB SER 50 HB1 SER 50 -14.195 0.702 8.143 390 HG SER 50 HG SER 50 -15.589 -1.710 7.689 391 H ASN 51 HN ASN 51 -14.507 -1.221 4.437 392 HA ASN 51 HA ASN 51 -14.517 -4.128 5.020 393 1HB ASN 51 HB2 ASN 51 -16.521 -2.896 4.017 394 2HB ASN 51 HB1 ASN 51 -15.568 -2.744 2.541 395 1HD2 ASN 51 HD22 ASN 51 -16.267 -6.037 1.512 396 2HD2 ASN 51 HD21 ASN 51 -15.700 -4.489 1.105 397 H VAL 52 HN VAL 52 -12.246 -2.126 4.031 398 HA VAL 52 HA VAL 52 -11.059 -4.059 2.085 399 HB VAL 52 HB VAL 52 -11.007 -1.028 2.043 400 1HG1 VAL 52 HG12 VAL 52 -9.111 -3.036 0.852 401 2HG1 VAL 52 HG11 VAL 52 -9.495 -1.584 -0.076 402 3HG1 VAL 52 HG13 VAL 52 -8.774 -1.450 1.526 403 1HG2 VAL 52 HG22 VAL 52 -11.849 -3.160 0.055 404 2HG2 VAL 52 HG21 VAL 52 -12.908 -2.040 0.907 405 3HG2 VAL 52 HG23 VAL 52 -11.783 -1.435 -0.308 406 H ILE 53 HN ILE 53 -8.823 -4.492 2.472 407 HA ILE 53 HA ILE 53 -7.891 -3.575 5.172 408 HB ILE 53 HB ILE 53 -6.694 -5.720 3.404 409 1HG1 ILE 53 HG12 ILE 53 -9.023 -6.306 3.781 410 2HG1 ILE 53 HG11 ILE 53 -8.023 -7.309 4.828 411 1HG2 ILE 53 HG23 ILE 53 -5.451 -4.680 5.421 412 2HG2 ILE 53 HG22 ILE 53 -6.630 -5.518 6.417 413 3HG2 ILE 53 HG21 ILE 53 -5.566 -6.434 5.354 414 1HD1 ILE 53 HD12 ILE 53 -8.425 -5.459 6.617 415 2HD1 ILE 53 HD11 ILE 53 -9.747 -4.948 5.569 416 3HD1 ILE 53 HD13 ILE 53 -9.744 -6.570 6.257 417 H PHE 54 HN PHE 54 -6.376 -1.983 5.258 418 HA PHE 54 HA PHE 54 -4.771 -1.359 2.797 419 1HB PHE 54 HB2 PHE 54 -5.379 0.277 5.280 420 2HB PHE 54 HB1 PHE 54 -4.304 0.805 3.990 421 HD1 PHE 54 HD1 PHE 54 -7.791 -0.381 4.623 422 HD2 PHE 54 HD2 PHE 54 -5.185 1.925 2.105 423 HE1 PHE 54 HE1 PHE 54 -9.757 0.494 3.386 424 HE2 PHE 54 HE2 PHE 54 -7.154 2.791 0.861 425 HZ PHE 54 HZ PHE 54 -9.435 2.074 1.506 426 H LEU 55 HN LEU 55 -2.627 -1.932 2.829 427 HA LEU 55 HA LEU 55 -1.329 -2.481 5.482 428 1HB LEU 55 HB2 LEU 55 -0.725 -3.571 2.716 429 2HB LEU 55 HB1 LEU 55 0.391 -3.742 4.068 430 HG LEU 55 HG LEU 55 -1.164 -5.090 5.291 431 1HD1 LEU 55 HD11 LEU 55 -3.163 -4.149 3.247 432 2HD1 LEU 55 HD13 LEU 55 -3.426 -5.649 4.134 433 3HD1 LEU 55 HD12 LEU 55 -3.270 -4.134 5.008 434 1HD2 LEU 55 HD21 LEU 55 -1.180 -5.858 2.359 435 2HD2 LEU 55 HD23 LEU 55 0.045 -6.289 3.553 436 3HD2 LEU 55 HD22 LEU 55 -1.584 -6.950 3.685 437 H GLU 56 HN GLU 56 0.595 -1.494 5.958 438 HA GLU 56 HA GLU 56 1.527 0.634 4.060 439 1HB GLU 56 HB2 GLU 56 0.691 1.362 6.357 440 2HB GLU 56 HB1 GLU 56 2.056 0.477 7.044 441 1HG GLU 56 HG2 GLU 56 3.584 1.834 5.566 442 2HG GLU 56 HG1 GLU 56 2.183 2.806 5.104 443 H VAL 57 HN VAL 57 3.587 0.365 3.273 444 HA VAL 57 HA VAL 57 5.319 -1.710 4.591 445 HB VAL 57 HB VAL 57 4.978 -1.234 1.620 446 1HG1 VAL 57 HG12 VAL 57 6.501 -3.315 3.206 447 2HG1 VAL 57 HG11 VAL 57 6.289 -3.344 1.457 448 3HG1 VAL 57 HG13 VAL 57 7.207 -2.040 2.209 449 1HG2 VAL 57 HG23 VAL 57 3.844 -3.284 3.527 450 2HG2 VAL 57 HG22 VAL 57 2.977 -2.253 2.390 451 3HG2 VAL 57 HG21 VAL 57 3.965 -3.587 1.793 452 H ASP 58 HN ASP 58 7.434 -1.165 4.847 453 HA ASP 58 HA ASP 58 8.309 1.571 4.024 454 1HB ASP 58 HB2 ASP 58 8.441 0.782 6.441 455 2HB ASP 58 HB1 ASP 58 9.672 -0.363 5.900 456 H VAL 59 HN VAL 59 9.565 1.631 2.165 457 HA VAL 59 HA VAL 59 10.684 -0.806 1.039 458 HB VAL 59 HB VAL 59 11.835 0.697 -0.537 459 1HG1 VAL 59 HG13 VAL 59 8.960 1.302 0.150 460 2HG1 VAL 59 HG12 VAL 59 9.746 2.069 -1.225 461 3HG1 VAL 59 HG11 VAL 59 9.593 0.315 -1.165 462 1HG2 VAL 59 HG22 VAL 59 10.926 2.848 1.392 463 2HG2 VAL 59 HG21 VAL 59 12.579 2.455 0.929 464 3HG2 VAL 59 HG23 VAL 59 11.487 3.189 -0.245 465 H ASP 60 HN ASP 60 11.678 1.392 3.497 466 HA ASP 60 HA ASP 60 14.533 0.665 3.227 467 1HB ASP 60 HB2 ASP 60 12.968 2.555 4.964 468 2HB ASP 60 HB1 ASP 60 14.616 2.126 5.386 469 H ASP 61 HN ASP 61 11.883 0.069 5.583 470 HA ASP 61 HA ASP 61 13.705 -1.811 7.035 471 1HB ASP 61 HB2 ASP 61 10.902 -0.869 7.729 472 2HB ASP 61 HB1 ASP 61 11.933 -1.880 8.740 473 H ALA 62 HN ALA 62 11.057 -1.734 4.837 474 HA ALA 62 HA ALA 62 10.753 -4.708 5.039 475 1HB ALA 62 HB2 ALA 62 8.695 -3.176 5.498 476 2HB ALA 62 HB1 ALA 62 8.714 -2.884 3.760 477 3HB ALA 62 HB3 ALA 62 8.494 -4.522 4.375 478 H GLN 63 HN GLN 63 12.836 -3.391 3.700 479 HA GLN 63 HA GLN 63 12.383 -2.917 0.946 480 1HB GLN 63 HB2 GLN 63 14.784 -3.110 0.698 481 2HB GLN 63 HB1 GLN 63 14.464 -2.339 2.245 482 1HG GLN 63 HG2 GLN 63 15.074 -5.279 1.870 483 2HG GLN 63 HG1 GLN 63 16.194 -4.061 2.460 484 1HE2 GLN 63 HE22 GLN 63 13.490 -5.652 5.000 485 2HE2 GLN 63 HE21 GLN 63 13.625 -6.184 3.394 486 H ASP 64 HN ASP 64 12.452 -5.875 2.733 487 HA ASP 64 HA ASP 64 13.208 -7.660 0.634 488 1HB ASP 64 HB2 ASP 64 11.899 -9.356 1.999 489 2HB ASP 64 HB1 ASP 64 13.146 -8.494 2.892 490 H VAL 65 HN VAL 65 10.108 -6.230 1.576 491 HA VAL 65 HA VAL 65 8.580 -7.748 -0.366 492 HB VAL 65 HB VAL 65 7.837 -5.070 0.853 493 1HG1 VAL 65 HG11 VAL 65 6.465 -6.076 -1.035 494 2HG1 VAL 65 HG13 VAL 65 6.101 -7.419 0.048 495 3HG1 VAL 65 HG12 VAL 65 5.576 -5.787 0.460 496 1HG2 VAL 65 HG23 VAL 65 7.893 -7.827 2.044 497 2HG2 VAL 65 HG22 VAL 65 8.304 -6.287 2.791 498 3HG2 VAL 65 HG21 VAL 65 6.615 -6.716 2.528 499 H ALA 66 HN ALA 66 9.947 -4.463 -0.245 500 HA ALA 66 HA ALA 66 8.928 -3.674 -2.807 501 1HB ALA 66 HB2 ALA 66 9.974 -2.292 -0.770 502 2HB ALA 66 HB1 ALA 66 11.428 -2.410 -1.759 503 3HB ALA 66 HB3 ALA 66 9.969 -1.660 -2.413 504 H SER 67 HN SER 67 12.047 -5.085 -1.816 505 HA SER 67 HA SER 67 13.327 -4.783 -4.359 506 1HB SER 67 HB2 SER 67 14.877 -6.501 -3.596 507 2HB SER 67 HB1 SER 67 14.500 -5.436 -2.245 508 HG SER 67 HG SER 67 12.907 -7.000 -1.625 509 H GLU 68 HN GLU 68 11.157 -7.229 -3.068 510 HA GLU 68 HA GLU 68 11.433 -9.139 -5.175 511 1HB GLU 68 HB2 GLU 68 10.323 -9.572 -2.972 512 2HB GLU 68 HB1 GLU 68 8.977 -8.558 -3.491 513 1HG GLU 68 HG2 GLU 68 8.673 -10.074 -5.471 514 2HG GLU 68 HG1 GLU 68 9.913 -11.129 -4.794 515 H ALA 69 HN ALA 69 9.352 -6.289 -4.786 516 HA ALA 69 HA ALA 69 8.000 -6.809 -7.346 517 1HB ALA 69 HB3 ALA 69 6.870 -5.813 -5.300 518 2HB ALA 69 HB2 ALA 69 7.775 -4.335 -5.634 519 3HB ALA 69 HB1 ALA 69 6.614 -4.945 -6.815 520 H GLU 70 HN GLU 70 10.976 -5.527 -6.619 521 HA GLU 70 HA GLU 70 12.421 -4.093 -7.782 522 1HB GLU 70 HB2 GLU 70 10.538 -4.864 -10.026 523 2HB GLU 70 HB1 GLU 70 12.010 -3.929 -10.266 524 1HG GLU 70 HG2 GLU 70 12.627 -6.178 -10.686 525 2HG GLU 70 HG1 GLU 70 13.240 -5.824 -9.074 526 H VAL 71 HN VAL 71 10.707 -2.636 -6.264 527 HA VAL 71 HA VAL 71 9.118 -0.754 -7.739 528 HB VAL 71 HB VAL 71 10.521 -0.284 -5.086 529 1HG1 VAL 71 HG13 VAL 71 8.081 0.903 -6.452 530 2HG1 VAL 71 HG12 VAL 71 8.467 1.172 -4.755 531 3HG1 VAL 71 HG11 VAL 71 9.571 1.737 -6.013 532 1HG2 VAL 71 HG21 VAL 71 7.919 -1.695 -5.789 533 2HG2 VAL 71 HG23 VAL 71 9.279 -2.344 -4.875 534 3HG2 VAL 71 HG22 VAL 71 8.263 -1.086 -4.171 535 H LYS 72 HN LYS 72 9.727 1.030 -8.865 536 HA LYS 72 HA LYS 72 12.620 1.714 -8.931 537 1HB LYS 72 HB2 LYS 72 10.396 2.354 -10.877 538 2HB LYS 72 HB1 LYS 72 12.095 2.760 -11.102 539 1HG LYS 72 HG2 LYS 72 11.168 -0.102 -10.662 540 2HG LYS 72 HG1 LYS 72 11.272 0.615 -12.269 541 1HD LYS 72 HD2 LYS 72 13.704 1.203 -11.689 542 2HD LYS 72 HD1 LYS 72 13.522 0.121 -10.309 543 1HE LYS 72 HE2 LYS 72 13.075 -0.642 -13.206 544 2HE LYS 72 HE1 LYS 72 14.481 -1.076 -12.233 545 1HZ LYS 72 HZ1 LYS 72 12.512 -1.913 -10.657 546 2HZ LYS 72 HZ3 LYS 72 11.779 -2.141 -12.168 547 3HZ LYS 72 HZ2 LYS 72 13.259 -2.900 -11.819 548 H ALA 73 HN ALA 73 9.656 2.919 -7.719 549 HA ALA 73 HA ALA 73 10.980 5.353 -6.837 550 1HB ALA 73 HB2 ALA 73 9.302 5.382 -9.259 551 2HB ALA 73 HB1 ALA 73 8.845 6.602 -8.075 552 3HB ALA 73 HB3 ALA 73 10.492 6.563 -8.711 553 H THR 74 HN THR 74 9.690 6.558 -5.306 554 HA THR 74 HA THR 74 7.218 5.158 -4.352 555 HB THR 74 HB THR 74 7.957 5.501 -2.059 556 HG1 THR 74 HG1 THR 74 10.360 6.616 -2.855 557 1HG2 THR 74 HG23 THR 74 10.298 4.574 -3.715 558 2HG2 THR 74 HG22 THR 74 10.056 4.250 -2.003 559 3HG2 THR 74 HG21 THR 74 8.952 3.563 -3.196 560 HA PRO 75 HA PRO 75 5.848 5.789 -2.483 561 1HB PRO 75 HB2 PRO 75 3.251 6.731 -2.489 562 2HB PRO 75 HB1 PRO 75 4.484 7.212 -1.317 563 1HG PRO 75 HG2 PRO 75 3.380 8.746 -3.605 564 2HG PRO 75 HG1 PRO 75 4.114 9.335 -2.106 565 1HD PRO 75 HD2 PRO 75 5.362 9.229 -4.660 566 2HD PRO 75 HD1 PRO 75 6.179 9.538 -3.104 567 H THR 76 HN THR 76 4.866 3.921 -3.138 568 HA THR 76 HA THR 76 3.465 3.916 -5.785 569 HB THR 76 HB THR 76 5.437 1.836 -4.797 570 HG1 THR 76 HG1 THR 76 6.674 2.593 -6.523 571 1HG2 THR 76 HG23 THR 76 3.650 2.035 -7.219 572 2HG2 THR 76 HG22 THR 76 5.074 0.992 -7.190 573 3HG2 THR 76 HG21 THR 76 3.754 0.717 -6.053 574 H PHE 77 HN PHE 77 1.590 2.870 -5.745 575 HA PHE 77 HA PHE 77 0.846 1.369 -3.257 576 1HB PHE 77 HB2 PHE 77 -0.917 2.846 -5.243 577 2HB PHE 77 HB1 PHE 77 -1.465 2.045 -3.769 578 HD1 PHE 77 HD1 PHE 77 -0.883 2.977 -1.527 579 HD2 PHE 77 HD2 PHE 77 0.269 4.951 -5.172 580 HE1 PHE 77 HE1 PHE 77 -0.393 5.054 -0.253 581 HE2 PHE 77 HE2 PHE 77 0.762 7.023 -3.894 582 HZ PHE 77 HZ PHE 77 0.427 7.077 -1.435 583 H GLN 78 HN GLN 78 0.312 -0.764 -3.528 584 HA GLN 78 HA GLN 78 -0.207 -1.752 -6.320 585 1HB GLN 78 HB2 GLN 78 1.356 -3.056 -4.075 586 2HB GLN 78 HB1 GLN 78 0.830 -3.914 -5.525 587 1HG GLN 78 HG2 GLN 78 2.030 -2.169 -6.894 588 2HG GLN 78 HG1 GLN 78 2.691 -1.522 -5.391 589 1HE2 GLN 78 HE22 GLN 78 5.381 -3.768 -6.094 590 2HE2 GLN 78 HE21 GLN 78 4.883 -2.149 -6.183 591 H PHE 79 HN PHE 79 -1.902 -3.137 -6.546 592 HA PHE 79 HA PHE 79 -3.638 -3.503 -4.131 593 1HB PHE 79 HB2 PHE 79 -4.285 -3.455 -7.091 594 2HB PHE 79 HB1 PHE 79 -5.461 -3.755 -5.806 595 HD1 PHE 79 HD2 PHE 79 -2.973 -1.274 -7.066 596 HD2 PHE 79 HD1 PHE 79 -6.371 -1.964 -4.541 597 HE1 PHE 79 HE2 PHE 79 -3.157 1.163 -6.645 598 HE2 PHE 79 HE1 PHE 79 -6.544 0.463 -4.110 599 HZ PHE 79 HZ PHE 79 -4.946 2.029 -5.160 600 H PHE 80 HN PHE 80 -4.097 -5.503 -3.423 601 HA PHE 80 HA PHE 80 -3.432 -7.841 -5.158 602 1HB PHE 80 HB2 PHE 80 -2.883 -7.441 -2.219 603 2HB PHE 80 HB1 PHE 80 -2.873 -9.032 -2.978 604 HD1 PHE 80 HD2 PHE 80 -1.184 -5.726 -2.829 605 HD2 PHE 80 HD1 PHE 80 -1.141 -9.682 -4.533 606 HE1 PHE 80 HE2 PHE 80 1.139 -5.372 -3.611 607 HE2 PHE 80 HE1 PHE 80 1.186 -9.318 -5.312 608 HZ PHE 80 HZ PHE 80 2.325 -7.162 -4.850 609 H LYS 81 HN LYS 81 -4.844 -9.620 -5.014 610 HA LYS 81 HA LYS 81 -7.176 -9.397 -3.193 611 1HB LYS 81 HB2 LYS 81 -7.657 -8.160 -5.360 612 2HB LYS 81 HB1 LYS 81 -7.516 -9.713 -6.183 613 1HG LYS 81 HG2 LYS 81 -9.266 -10.616 -4.616 614 2HG LYS 81 HG1 LYS 81 -9.494 -8.974 -4.015 615 1HD LYS 81 HD2 LYS 81 -9.714 -9.677 -6.950 616 2HD LYS 81 HD1 LYS 81 -11.097 -9.716 -5.861 617 1HE LYS 81 HE2 LYS 81 -10.512 -7.299 -5.249 618 2HE LYS 81 HE1 LYS 81 -9.404 -7.325 -6.622 619 1HZ LYS 81 HZ2 LYS 81 -11.934 -8.379 -7.339 620 2HZ LYS 81 HZ1 LYS 81 -12.103 -6.819 -6.687 621 3HZ LYS 81 HZ3 LYS 81 -11.082 -7.075 -8.016 622 H LYS 82 HN LYS 82 -7.496 -11.415 -2.374 623 HA LYS 82 HA LYS 82 -7.419 -13.747 -2.148 624 1HB LYS 82 HB2 LYS 82 -7.591 -13.641 -5.190 625 2HB LYS 82 HB1 LYS 82 -7.729 -15.105 -4.229 626 1HG LYS 82 HG2 LYS 82 -9.772 -14.451 -3.278 627 2HG LYS 82 HG1 LYS 82 -9.524 -12.748 -3.668 628 1HD LYS 82 HD2 LYS 82 -9.796 -13.235 -6.059 629 2HD LYS 82 HD1 LYS 82 -9.972 -14.953 -5.709 630 1HE LYS 82 HE2 LYS 82 -11.811 -12.819 -4.595 631 2HE LYS 82 HE1 LYS 82 -12.156 -13.736 -6.059 632 1HZ LYS 82 HZ3 LYS 82 -11.396 -15.439 -3.907 633 2HZ LYS 82 HZ2 LYS 82 -12.735 -14.481 -3.489 634 3HZ LYS 82 HZ1 LYS 82 -12.796 -15.476 -4.864 635 H GLY 83 HN GLY 83 -4.996 -12.093 -2.434 636 1HA GLY 83 HA2 GLY 83 -2.698 -12.576 -2.317 637 2HA GLY 83 HA1 GLY 83 -3.071 -14.255 -2.705 638 H GLN 84 HN GLN 84 -4.392 -11.821 -4.793 639 HA GLN 84 HA GLN 84 -2.270 -12.400 -6.821 640 1HB GLN 84 HB2 GLN 84 -5.262 -12.194 -7.226 641 2HB GLN 84 HB1 GLN 84 -4.105 -12.200 -8.547 642 1HG GLN 84 HG2 GLN 84 -4.290 -14.406 -6.476 643 2HG GLN 84 HG1 GLN 84 -5.102 -14.458 -8.040 644 1HE2 GLN 84 HE22 GLN 84 -1.344 -14.004 -9.159 645 2HE2 GLN 84 HE21 GLN 84 -2.408 -12.747 -8.735 646 H LYS 85 HN LYS 85 -1.454 -10.666 -7.942 647 HA LYS 85 HA LYS 85 -2.170 -7.959 -7.040 648 1HB LYS 85 HB2 LYS 85 0.171 -8.653 -7.578 649 2HB LYS 85 HB1 LYS 85 -0.306 -8.845 -9.265 650 1HG LYS 85 HG2 LYS 85 -1.019 -6.431 -9.270 651 2HG LYS 85 HG1 LYS 85 -0.346 -6.280 -7.645 652 1HD LYS 85 HD2 LYS 85 1.851 -7.093 -8.550 653 2HD LYS 85 HD1 LYS 85 1.154 -7.034 -10.167 654 1HE LYS 85 HE2 LYS 85 0.729 -4.625 -9.912 655 2HE LYS 85 HE1 LYS 85 1.384 -4.674 -8.276 656 1HZ LYS 85 HZ2 LYS 85 3.052 -5.734 -10.425 657 2HZ LYS 85 HZ1 LYS 85 2.861 -4.047 -10.352 658 3HZ LYS 85 HZ3 LYS 85 3.497 -4.886 -9.022 659 H VAL 86 HN VAL 86 -3.719 -6.732 -7.974 660 HA VAL 86 HA VAL 86 -4.545 -7.353 -10.787 661 HB VAL 86 HB VAL 86 -6.855 -6.637 -10.080 662 1HG1 VAL 86 HG12 VAL 86 -5.938 -9.073 -10.158 663 2HG1 VAL 86 HG11 VAL 86 -5.921 -8.971 -8.398 664 3HG1 VAL 86 HG13 VAL 86 -7.437 -8.787 -9.280 665 1HG2 VAL 86 HG23 VAL 86 -5.988 -5.427 -8.007 666 2HG2 VAL 86 HG22 VAL 86 -7.386 -6.468 -7.743 667 3HG2 VAL 86 HG21 VAL 86 -5.780 -7.017 -7.271 668 H GLY 87 HN GLY 87 -2.803 -5.143 -9.286 669 1HA GLY 87 HA2 GLY 87 -3.287 -3.093 -11.200 670 2HA GLY 87 HA1 GLY 87 -4.181 -2.667 -9.745 671 H GLU 88 HN GLU 88 -2.001 -1.165 -10.826 672 HA GLU 88 HA GLU 88 -0.400 -0.834 -8.441 673 1HB GLU 88 HB2 GLU 88 1.111 -2.482 -9.042 674 2HB GLU 88 HB1 GLU 88 0.682 -2.394 -10.742 675 1HG GLU 88 HG2 GLU 88 3.016 -1.669 -10.309 676 2HG GLU 88 HG1 GLU 88 2.055 -0.374 -11.010 677 H PHE 89 HN PHE 89 0.694 1.184 -8.486 678 HA PHE 89 HA PHE 89 1.044 2.681 -10.914 679 1HB PHE 89 HB2 PHE 89 -0.677 4.272 -10.844 680 2HB PHE 89 HB1 PHE 89 -1.497 2.753 -10.529 681 HD1 PHE 89 HD1 PHE 89 0.046 5.693 -8.789 682 HD2 PHE 89 HD2 PHE 89 -2.834 2.515 -8.602 683 HE1 PHE 89 HE1 PHE 89 -0.886 6.663 -6.706 684 HE2 PHE 89 HE2 PHE 89 -3.765 3.486 -6.521 685 HZ PHE 89 HZ PHE 89 -2.805 5.566 -5.574 686 H SER 90 HN SER 90 1.980 4.806 -10.519 687 HA SER 90 HA SER 90 3.044 5.147 -7.731 688 1HB SER 90 HB2 SER 90 5.145 5.949 -8.741 689 2HB SER 90 HB1 SER 90 4.821 4.280 -9.209 690 HG SER 90 HG SER 90 4.650 6.658 -10.695 691 H GLY 91 HN GLY 91 3.684 7.359 -7.229 692 1HA GLY 91 HA2 GLY 91 3.719 9.730 -8.078 693 2HA GLY 91 HA1 GLY 91 2.166 9.402 -8.836 694 H ALA 92 HN ALA 92 3.003 11.343 -6.666 695 HA ALA 92 HA ALA 92 1.660 10.398 -4.259 696 1HB ALA 92 HB3 ALA 92 2.883 12.974 -5.189 697 2HB ALA 92 HB2 ALA 92 1.845 12.992 -3.768 698 3HB ALA 92 HB1 ALA 92 3.301 11.992 -3.792 699 H ASN 93 HN ASN 93 -0.280 9.831 -5.821 700 HA ASN 93 HA ASN 93 -2.195 12.148 -5.872 701 1HB ASN 93 HB2 ASN 93 -1.569 11.108 -8.118 702 2HB ASN 93 HB1 ASN 93 -2.346 9.630 -7.553 703 1HD2 ASN 93 HD22 ASN 93 -5.233 12.380 -7.281 704 2HD2 ASN 93 HD21 ASN 93 -3.977 12.223 -6.151 705 H LYS 94 HN LYS 94 -3.000 11.764 -3.754 706 HA LYS 94 HA LYS 94 -3.678 9.150 -2.752 707 1HB LYS 94 HB2 LYS 94 -5.011 10.466 -1.084 708 2HB LYS 94 HB1 LYS 94 -3.319 10.932 -1.198 709 1HG LYS 94 HG2 LYS 94 -4.990 12.446 -3.095 710 2HG LYS 94 HG1 LYS 94 -5.551 12.653 -1.442 711 1HD LYS 94 HD2 LYS 94 -3.154 13.203 -0.808 712 2HD LYS 94 HD1 LYS 94 -2.790 13.226 -2.541 713 1HE LYS 94 HE2 LYS 94 -4.584 14.920 -2.858 714 2HE LYS 94 HE1 LYS 94 -4.852 14.928 -1.114 715 1HZ LYS 94 HZ1 LYS 94 -2.159 15.416 -2.202 716 2HZ LYS 94 HZ3 LYS 94 -3.294 16.675 -2.151 717 3HZ LYS 94 HZ2 LYS 94 -2.820 15.902 -0.715 718 H GLU 95 HN GLU 95 -5.513 11.543 -4.617 719 HA GLU 95 HA GLU 95 -8.099 10.408 -4.155 720 1HB GLU 95 HB2 GLU 95 -7.064 11.941 -6.559 721 2HB GLU 95 HB1 GLU 95 -8.761 11.625 -6.204 722 1HG GLU 95 HG2 GLU 95 -6.907 13.070 -4.300 723 2HG GLU 95 HG1 GLU 95 -7.952 13.898 -5.456 724 H LYS 96 HN LYS 96 -5.487 9.616 -6.309 725 HA LYS 96 HA LYS 96 -6.863 7.996 -8.182 726 1HB LYS 96 HB2 LYS 96 -4.475 8.803 -8.245 727 2HB LYS 96 HB1 LYS 96 -4.077 7.539 -7.099 728 1HG LYS 96 HG2 LYS 96 -4.601 5.811 -8.629 729 2HG LYS 96 HG1 LYS 96 -5.471 6.910 -9.701 730 1HD LYS 96 HD2 LYS 96 -3.375 8.085 -10.228 731 2HD LYS 96 HD1 LYS 96 -2.490 7.015 -9.142 732 1HE LYS 96 HE2 LYS 96 -3.051 5.080 -10.530 733 2HE LYS 96 HE1 LYS 96 -4.054 6.088 -11.571 734 1HZ LYS 96 HZ2 LYS 96 -1.931 7.451 -11.880 735 2HZ LYS 96 HZ1 LYS 96 -1.120 6.086 -11.278 736 3HZ LYS 96 HZ3 LYS 96 -2.048 5.965 -12.692 737 H LEU 97 HN LEU 97 -5.660 7.335 -4.938 738 HA LEU 97 HA LEU 97 -5.937 4.503 -4.904 739 1HB LEU 97 HB2 LEU 97 -6.316 6.606 -2.759 740 2HB LEU 97 HB1 LEU 97 -6.377 4.888 -2.418 741 HG LEU 97 HG LEU 97 -4.021 6.260 -3.723 742 1HD1 LEU 97 HD12 LEU 97 -4.628 5.628 -0.826 743 2HD1 LEU 97 HD11 LEU 97 -2.991 5.918 -1.407 744 3HD1 LEU 97 HD13 LEU 97 -4.205 7.189 -1.527 745 1HD2 LEU 97 HD23 LEU 97 -4.600 3.467 -2.717 746 2HD2 LEU 97 HD22 LEU 97 -3.822 3.965 -4.218 747 3HD2 LEU 97 HD21 LEU 97 -2.954 4.080 -2.700 748 H GLU 98 HN GLU 98 -8.193 7.126 -4.364 749 HA GLU 98 HA GLU 98 -10.378 5.548 -3.433 750 1HB GLU 98 HB2 GLU 98 -10.270 8.028 -3.275 751 2HB GLU 98 HB1 GLU 98 -10.502 8.131 -5.019 752 1HG GLU 98 HG2 GLU 98 -12.640 8.463 -3.857 753 2HG GLU 98 HG1 GLU 98 -12.683 6.968 -4.790 754 H ALA 99 HN ALA 99 -9.530 6.544 -6.754 755 HA ALA 99 HA ALA 99 -11.872 5.348 -7.924 756 1HB ALA 99 HB3 ALA 99 -10.504 7.085 -9.053 757 2HB ALA 99 HB2 ALA 99 -9.201 5.911 -9.241 758 3HB ALA 99 HB1 ALA 99 -10.741 5.662 -10.067 759 H THR 100 HN THR 100 -8.540 4.083 -7.561 760 HA THR 100 HA THR 100 -9.069 1.665 -9.002 761 HB THR 100 HB THR 100 -7.068 2.011 -6.756 762 HG1 THR 100 HG1 THR 100 -6.141 2.278 -9.282 763 1HG2 THR 100 HG22 THR 100 -7.261 0.191 -9.170 764 2HG2 THR 100 HG21 THR 100 -5.819 0.341 -8.168 765 3HG2 THR 100 HG23 THR 100 -7.314 -0.285 -7.474 766 H ILE 101 HN ILE 101 -9.382 2.489 -5.566 767 HA ILE 101 HA ILE 101 -10.038 -0.137 -4.608 768 HB ILE 101 HB ILE 101 -10.832 2.639 -3.660 769 1HG1 ILE 101 HG12 ILE 101 -8.939 0.676 -2.354 770 2HG1 ILE 101 HG11 ILE 101 -8.388 1.770 -3.620 771 1HG2 ILE 101 HG23 ILE 101 -11.375 -0.080 -2.455 772 2HG2 ILE 101 HG22 ILE 101 -11.349 1.395 -1.486 773 3HG2 ILE 101 HG21 ILE 101 -12.526 1.216 -2.788 774 1HD1 ILE 101 HD12 ILE 101 -9.231 3.696 -2.293 775 2HD1 ILE 101 HD11 ILE 101 -9.686 2.580 -1.005 776 3HD1 ILE 101 HD13 ILE 101 -7.987 2.785 -1.435 777 H ASN 102 HN ASN 102 -12.106 2.562 -5.704 778 HA ASN 102 HA ASN 102 -14.597 1.185 -5.508 779 1HB ASN 102 HB2 ASN 102 -14.414 3.640 -5.862 780 2HB ASN 102 HB1 ASN 102 -13.794 3.344 -7.487 781 1HD2 ASN 102 HD22 ASN 102 -17.749 3.398 -6.932 782 2HD2 ASN 102 HD21 ASN 102 -16.630 3.992 -5.804 783 H GLU 103 HN GLU 103 -12.122 1.317 -7.973 784 HA GLU 103 HA GLU 103 -13.579 0.024 -10.068 785 1HB GLU 103 HB2 GLU 103 -11.384 1.333 -10.219 786 2HB GLU 103 HB1 GLU 103 -10.592 -0.108 -9.589 787 1HG GLU 103 HG2 GLU 103 -12.348 -0.156 -12.056 788 2HG GLU 103 HG1 GLU 103 -10.603 0.077 -12.121 789 H LEU 104 HN LEU 104 -11.493 -1.219 -7.455 790 HA LEU 104 HA LEU 104 -12.032 -4.009 -8.348 791 1HB LEU 104 HB2 LEU 104 -10.148 -2.891 -6.277 792 2HB LEU 104 HB1 LEU 104 -10.303 -4.600 -6.642 793 HG LEU 104 HG LEU 104 -9.582 -2.485 -8.688 794 1HD1 LEU 104 HD13 LEU 104 -7.818 -4.288 -7.019 795 2HD1 LEU 104 HD12 LEU 104 -7.260 -3.445 -8.464 796 3HD1 LEU 104 HD11 LEU 104 -7.810 -2.527 -7.064 797 1HD2 LEU 104 HD23 LEU 104 -9.771 -5.499 -8.698 798 2HD2 LEU 104 HD22 LEU 104 -10.351 -4.351 -9.900 799 3HD2 LEU 104 HD21 LEU 104 -8.631 -4.696 -9.775 800 H VAL 105 HN VAL 105 -13.468 -1.820 -6.231 801 HA VAL 105 HA VAL 105 -13.863 -3.479 -3.923 802 HB VAL 105 HB VAL 105 -14.385 -0.969 -4.148 803 1HG1 VAL 105 HG12 VAL 105 -15.904 -1.515 -6.232 804 2HG1 VAL 105 HG11 VAL 105 -17.136 -1.850 -5.017 805 3HG1 VAL 105 HG13 VAL 105 -16.399 -0.251 -5.110 806 1HG2 VAL 105 HG21 VAL 105 -14.990 -2.387 -2.184 807 2HG2 VAL 105 HG23 VAL 105 -16.157 -1.095 -2.468 808 3HG2 VAL 105 HG22 VAL 105 -16.536 -2.747 -2.954 809 HA PRO 59 HA PRO 106 14.216 15.876 -13.747 810 1HB PRO 59 HB2 PRO 106 16.760 15.493 -12.197 811 2HB PRO 59 HB1 PRO 106 16.329 14.904 -13.817 812 1HG PRO 59 HG2 PRO 106 17.960 16.984 -13.507 813 2HG PRO 59 HG1 PRO 106 16.766 16.942 -14.820 814 1HD PRO 59 HD2 PRO 106 16.720 18.536 -12.285 815 2HD PRO 59 HD1 PRO 106 16.050 18.939 -13.882 816 H ALA 60 HN ALA 107 14.978 16.872 -10.446 817 HA ALA 60 HA ALA 107 13.907 14.343 -9.326 818 1HB ALA 60 HB1 ALA 107 15.100 16.829 -8.061 819 2HB ALA 60 HB3 ALA 107 14.477 15.467 -7.130 820 3HB ALA 60 HB2 ALA 107 15.856 15.242 -8.207 821 H THR 61 HN THR 108 11.744 14.177 -8.939 822 HA THR 61 HA THR 108 10.130 16.694 -8.672 823 HB THR 61 HB THR 108 9.142 13.888 -9.263 824 HG1 THR 61 HG1 THR 108 10.635 14.838 -10.836 825 1HG2 THR 61 HG21 THR 108 7.552 15.671 -8.367 826 2HG2 THR 61 HG23 THR 108 7.863 16.566 -9.853 827 3HG2 THR 61 HG22 THR 108 7.113 14.971 -9.924 828 H LEU 62 HN LEU 109 9.220 17.127 -6.733 829 HA LEU 62 HA LEU 109 9.783 15.586 -4.398 830 1HB LEU 62 HB2 LEU 109 7.734 17.744 -4.950 831 2HB LEU 62 HB1 LEU 109 8.023 17.079 -3.345 832 HG LEU 62 HG LEU 109 10.158 18.365 -5.077 833 1HD1 LEU 62 HD13 LEU 109 8.416 19.975 -4.372 834 2HD1 LEU 62 HD12 LEU 109 8.652 19.483 -2.694 835 3HD1 LEU 62 HD11 LEU 109 9.954 20.293 -3.567 836 1HD2 LEU 62 HD22 LEU 109 10.127 17.119 -2.335 837 2HD2 LEU 62 HD21 LEU 109 11.364 17.037 -3.587 838 3HD2 LEU 62 HD23 LEU 109 11.189 18.496 -2.619 839 H LYS 63 HN LYS 110 7.112 15.553 -6.651 840 HA LYS 63 HA LYS 110 5.174 14.160 -5.109 841 1HB LYS 63 HB2 LYS 110 5.755 13.955 -8.083 842 2HB LYS 63 HB1 LYS 110 4.250 13.472 -7.302 843 1HG LYS 63 HG2 LYS 110 5.379 16.290 -7.315 844 2HG LYS 63 HG1 LYS 110 4.088 15.716 -8.367 845 1HD LYS 63 HD2 LYS 110 2.874 15.059 -6.170 846 2HD LYS 63 HD1 LYS 110 4.036 16.119 -5.374 847 1HE LYS 63 HE2 LYS 110 2.232 16.951 -7.660 848 2HE LYS 63 HE1 LYS 110 1.931 17.301 -5.958 849 1HZ LYS 63 HZ1 LYS 110 4.513 18.093 -6.382 850 2HZ LYS 63 HZ3 LYS 110 3.701 18.595 -7.784 851 3HZ LYS 63 HZ2 LYS 110 3.157 19.109 -6.260 852 H ILE 64 HN ILE 111 8.171 13.146 -6.462 853 HA ILE 64 HA ILE 111 7.611 10.304 -5.665 854 HB ILE 64 HB ILE 111 9.089 11.321 -8.116 855 1HG1 ILE 64 HG12 ILE 111 6.662 11.193 -8.403 856 2HG1 ILE 64 HG11 ILE 111 7.448 9.927 -9.339 857 1HG2 ILE 64 HG21 ILE 111 9.001 8.578 -6.859 858 2HG2 ILE 64 HG23 ILE 111 9.371 8.813 -8.567 859 3HG2 ILE 64 HG22 ILE 111 10.416 9.517 -7.335 860 1HD1 ILE 64 HD11 ILE 111 7.024 8.528 -7.078 861 2HD1 ILE 64 HD13 ILE 111 5.722 9.703 -6.914 862 3HD1 ILE 64 HD12 ILE 111 5.799 8.663 -8.335 863 H CYS 65 HN CYS 112 9.319 9.339 -4.478 864 HA CYS 65 HA CYS 112 11.629 11.110 -3.833 865 1HB CYS 65 HB2 CYS 112 11.077 8.437 -2.527 866 2HB CYS 65 HB1 CYS 112 12.013 9.786 -1.898 867 H SER 66 HN SER 113 13.606 10.646 -4.771 868 HA SER 66 HA SER 113 13.747 8.435 -6.666 869 1HB SER 66 HB2 SER 113 15.894 10.359 -5.728 870 2HB SER 66 HB1 SER 113 16.040 9.256 -7.095 871 HG SER 66 HG SER 113 13.753 10.743 -7.155 872 H TRP 67 HN TRP 114 14.908 6.522 -6.483 873 HA TRP 67 HA TRP 114 15.545 5.604 -3.784 874 1HB TRP 67 HB2 TRP 114 15.830 4.333 -6.523 875 2HB TRP 67 HB1 TRP 114 16.311 3.517 -5.033 876 HD1 TRP 67 HD1 TRP 114 13.202 5.484 -6.215 877 HE1 TRP 67 HE1 TRP 114 11.102 4.234 -5.393 878 HE3 TRP 67 HE3 TRP 114 15.373 1.550 -3.810 879 HZ2 TRP 67 HZ2 TRP 114 10.457 1.902 -3.884 880 HZ3 TRP 67 HZ3 TRP 114 14.002 -0.168 -2.693 881 HH2 TRP 67 HH2 TRP 114 11.537 0.000 -2.741 882 H ASN 68 HN ASN 115 17.197 7.307 -6.200 883 HA ASN 68 HA ASN 115 19.840 6.347 -6.064 884 1HB ASN 68 HB2 ASN 115 18.810 9.201 -6.237 885 2HB ASN 68 HB1 ASN 115 20.502 8.754 -6.469 886 1HD2 ASN 68 HD22 ASN 115 18.515 6.627 -9.227 887 2HD2 ASN 68 HD21 ASN 115 18.535 6.224 -7.578 888 H VAL 69 HN VAL 116 17.879 7.538 -3.564 889 HA VAL 69 HA VAL 116 19.808 8.849 -1.917 890 HB VAL 69 HB VAL 116 18.274 8.156 -0.019 891 1HG1 VAL 69 HG12 VAL 116 17.982 10.214 -1.517 892 2HG1 VAL 69 HG11 VAL 116 16.761 9.283 -2.384 893 3HG1 VAL 69 HG13 VAL 116 16.537 9.657 -0.676 894 1HG2 VAL 69 HG23 VAL 116 17.571 6.003 -1.185 895 2HG2 VAL 69 HG22 VAL 116 16.244 6.957 -0.527 896 3HG2 VAL 69 HG21 VAL 116 16.587 6.998 -2.253 897 H ASP 70 HN ASP 117 21.294 8.050 -0.459 898 HA ASP 70 HA ASP 117 22.424 5.485 -0.916 899 1HB ASP 70 HB2 ASP 117 22.676 7.391 1.427 900 2HB ASP 70 HB1 ASP 117 23.633 5.916 1.274 901 H GLY 71 HN GLY 118 20.130 6.601 1.559 902 1HA GLY 71 HA2 GLY 118 18.742 5.354 2.983 903 2HA GLY 71 HA1 GLY 118 18.961 4.005 1.865 No H/Q in entry = 903 Start of MODEL 16 1 1H MET 1 HT2 MET 1 -8.609 -1.971 7.819 2 2H MET 1 HT1 MET 1 -8.551 -3.280 8.901 3 3H MET 1 HT3 MET 1 -9.739 -2.082 9.083 4 HA MET 1 HA MET 1 -8.270 -0.524 9.905 5 1HB MET 1 HB2 MET 1 -7.209 -3.233 10.779 6 2HB MET 1 HB1 MET 1 -6.907 -1.708 11.611 7 1HG MET 1 HG2 MET 1 -9.666 -2.855 11.111 8 2HG MET 1 HG1 MET 1 -8.779 -3.024 12.625 9 1HE MET 1 HE2 MET 1 -10.386 -2.061 14.107 10 2HE MET 1 HE1 MET 1 -11.222 -0.518 13.951 11 3HE MET 1 HE3 MET 1 -11.591 -1.845 12.840 12 H VAL 2 HN VAL 2 -5.727 -0.354 10.545 13 HA VAL 2 HA VAL 2 -4.277 -0.507 7.936 14 HB VAL 2 HB VAL 2 -3.747 1.013 10.507 15 1HG1 VAL 2 HG13 VAL 2 -2.139 0.737 7.961 16 2HG1 VAL 2 HG12 VAL 2 -1.960 2.121 9.039 17 3HG1 VAL 2 HG11 VAL 2 -1.595 0.498 9.621 18 1HG2 VAL 2 HG22 VAL 2 -5.599 1.749 8.910 19 2HG2 VAL 2 HG21 VAL 2 -4.347 2.948 9.228 20 3HG2 VAL 2 HG23 VAL 2 -4.332 2.038 7.719 21 H LYS 3 HN LYS 3 -2.444 -1.812 7.719 22 HA LYS 3 HA LYS 3 -1.418 -3.229 10.160 23 1HB LYS 3 HB2 LYS 3 -2.933 -4.668 8.726 24 2HB LYS 3 HB1 LYS 3 -1.790 -4.450 7.405 25 1HG LYS 3 HG2 LYS 3 -1.031 -6.463 8.306 26 2HG LYS 3 HG1 LYS 3 -0.022 -5.314 9.178 27 1HD LYS 3 HD2 LYS 3 -1.651 -5.352 11.063 28 2HD LYS 3 HD1 LYS 3 -2.600 -6.553 10.188 29 1HE LYS 3 HE2 LYS 3 -0.698 -8.105 10.210 30 2HE LYS 3 HE1 LYS 3 0.294 -6.900 11.030 31 1HZ LYS 3 HZ2 LYS 3 -1.436 -6.919 12.824 32 2HZ LYS 3 HZ1 LYS 3 -2.108 -8.287 12.072 33 3HZ LYS 3 HZ3 LYS 3 -0.526 -8.347 12.680 34 H GLN 4 HN GLN 4 0.786 -3.018 10.337 35 HA GLN 4 HA GLN 4 2.285 -1.905 8.004 36 1HB GLN 4 HB2 GLN 4 2.506 -0.742 10.189 37 2HB GLN 4 HB1 GLN 4 3.121 -2.227 10.911 38 1HG GLN 4 HG2 GLN 4 5.010 -2.197 9.260 39 2HG GLN 4 HG1 GLN 4 4.411 -0.649 8.661 40 1HE2 GLN 4 HE22 GLN 4 6.771 0.601 11.067 41 2HE2 GLN 4 HE21 GLN 4 6.593 0.200 9.427 42 H ILE 5 HN ILE 5 3.421 -3.339 6.788 43 HA ILE 5 HA ILE 5 4.043 -6.036 7.913 44 HB ILE 5 HB ILE 5 4.291 -5.029 5.071 45 1HG1 ILE 5 HG12 ILE 5 1.961 -4.837 5.677 46 2HG1 ILE 5 HG11 ILE 5 2.140 -6.301 4.711 47 1HG2 ILE 5 HG23 ILE 5 4.379 -7.747 6.378 48 2HG2 ILE 5 HG22 ILE 5 4.090 -7.530 4.661 49 3HG2 ILE 5 HG21 ILE 5 5.602 -6.981 5.363 50 1HD1 ILE 5 HD11 ILE 5 2.430 -7.513 6.995 51 2HD1 ILE 5 HD13 ILE 5 1.721 -6.052 7.686 52 3HD1 ILE 5 HD12 ILE 5 0.810 -7.007 6.521 53 H GLU 6 HN GLU 6 6.053 -6.102 8.845 54 HA GLU 6 HA GLU 6 8.193 -4.346 7.755 55 1HB GLU 6 HB2 GLU 6 8.144 -6.087 10.237 56 2HB GLU 6 HB1 GLU 6 9.432 -4.969 9.784 57 1HG GLU 6 HG2 GLU 6 6.563 -4.091 10.183 58 2HG GLU 6 HG1 GLU 6 7.766 -4.060 11.470 59 H SER 7 HN SER 7 7.057 -7.409 7.119 60 HA SER 7 HA SER 7 9.677 -8.172 5.969 61 1HB SER 7 HB2 SER 7 9.650 -10.412 7.013 62 2HB SER 7 HB1 SER 7 9.776 -9.139 8.231 63 HG SER 7 HG SER 7 8.118 -10.225 9.015 64 H LYS 8 HN LYS 8 9.501 -9.903 4.413 65 HA LYS 8 HA LYS 8 7.056 -9.896 2.896 66 1HB LYS 8 HB2 LYS 8 9.405 -10.422 2.024 67 2HB LYS 8 HB1 LYS 8 9.204 -12.016 2.754 68 1HG LYS 8 HG2 LYS 8 6.973 -12.127 1.452 69 2HG LYS 8 HG1 LYS 8 7.604 -10.768 0.523 70 1HD LYS 8 HD2 LYS 8 9.094 -13.384 0.878 71 2HD LYS 8 HD1 LYS 8 8.059 -13.027 -0.502 72 1HE LYS 8 HE2 LYS 8 9.446 -10.977 -0.926 73 2HE LYS 8 HE1 LYS 8 10.553 -11.528 0.331 74 1HZ LYS 8 HZ3 LYS 8 10.192 -13.717 -1.250 75 2HZ LYS 8 HZ2 LYS 8 10.268 -12.438 -2.365 76 3HZ LYS 8 HZ1 LYS 8 11.541 -12.688 -1.267 77 H THR 9 HN THR 9 8.420 -11.968 5.362 78 HA THR 9 HA THR 9 6.760 -14.231 5.075 79 HB THR 9 HB THR 9 7.722 -12.988 7.665 80 HG1 THR 9 HG1 THR 9 9.013 -15.136 6.496 81 1HG2 THR 9 HG23 THR 9 6.732 -15.744 6.924 82 2HG2 THR 9 HG22 THR 9 7.664 -15.430 8.387 83 3HG2 THR 9 HG21 THR 9 6.093 -14.661 8.160 84 H ALA 10 HN ALA 10 6.224 -11.283 6.977 85 HA ALA 10 HA ALA 10 3.556 -12.056 7.778 86 1HB ALA 10 HB3 ALA 10 5.098 -9.457 7.805 87 2HB ALA 10 HB2 ALA 10 3.400 -9.516 8.281 88 3HB ALA 10 HB1 ALA 10 4.601 -10.448 9.176 89 H PHE 11 HN PHE 11 4.934 -10.392 5.011 90 HA PHE 11 HA PHE 11 2.580 -9.128 4.011 91 1HB PHE 11 HB2 PHE 11 4.964 -8.908 3.111 92 2HB PHE 11 HB1 PHE 11 4.737 -10.465 2.341 93 HD1 PHE 11 HD1 PHE 11 2.937 -7.181 2.676 94 HD2 PHE 11 HD2 PHE 11 3.983 -10.478 0.130 95 HE1 PHE 11 HE1 PHE 11 1.808 -6.072 0.773 96 HE2 PHE 11 HE2 PHE 11 2.850 -9.368 -1.771 97 HZ PHE 11 HZ PHE 11 1.760 -7.167 -1.448 98 H GLN 12 HN GLN 12 3.877 -12.384 3.508 99 HA GLN 12 HA GLN 12 1.806 -13.277 1.726 100 1HB GLN 12 HB2 GLN 12 3.576 -14.803 3.674 101 2HB GLN 12 HB1 GLN 12 2.613 -15.549 2.400 102 1HG GLN 12 HG2 GLN 12 4.778 -13.472 1.941 103 2HG GLN 12 HG1 GLN 12 4.989 -15.210 1.725 104 1HE2 GLN 12 HE22 GLN 12 2.384 -15.070 -1.001 105 2HE2 GLN 12 HE21 GLN 12 2.428 -15.801 0.530 106 H GLU 13 HN GLU 13 2.246 -13.502 5.246 107 HA GLU 13 HA GLU 13 -0.149 -14.965 5.815 108 1HB GLU 13 HB2 GLU 13 1.457 -13.008 7.493 109 2HB GLU 13 HB1 GLU 13 0.177 -14.019 8.138 110 1HG GLU 13 HG2 GLU 13 2.643 -15.078 6.727 111 2HG GLU 13 HG1 GLU 13 2.458 -14.993 8.478 112 H ALA 14 HN ALA 14 0.502 -11.516 5.471 113 HA ALA 14 HA ALA 14 -2.054 -10.627 6.439 114 1HB ALA 14 HB3 ALA 14 -0.071 -9.148 6.218 115 2HB ALA 14 HB2 ALA 14 -0.187 -9.285 4.464 116 3HB ALA 14 HB1 ALA 14 -1.477 -8.499 5.375 117 H LEU 15 HN LEU 15 -0.803 -11.331 3.187 118 HA LEU 15 HA LEU 15 -3.136 -10.581 1.757 119 1HB LEU 15 HB2 LEU 15 -0.987 -12.629 1.188 120 2HB LEU 15 HB1 LEU 15 -2.246 -12.214 0.028 121 HG LEU 15 HG LEU 15 -0.437 -10.146 1.300 122 1HD1 LEU 15 HD11 LEU 15 -0.047 -11.831 -1.171 123 2HD1 LEU 15 HD13 LEU 15 0.668 -10.224 -1.052 124 3HD1 LEU 15 HD12 LEU 15 1.104 -11.469 0.116 125 1HD2 LEU 15 HD22 LEU 15 -2.491 -10.138 -0.910 126 2HD2 LEU 15 HD21 LEU 15 -2.229 -8.963 0.378 127 3HD2 LEU 15 HD23 LEU 15 -1.135 -9.015 -1.002 128 H ASP 16 HN ASP 16 -2.195 -13.639 3.291 129 HA ASP 16 HA ASP 16 -4.471 -15.112 2.345 130 1HB ASP 16 HB2 ASP 16 -2.322 -16.101 3.273 131 2HB ASP 16 HB1 ASP 16 -2.928 -15.682 4.879 132 H ALA 17 HN ALA 17 -3.900 -13.089 5.175 133 HA ALA 17 HA ALA 17 -6.233 -13.919 6.641 134 1HB ALA 17 HB1 ALA 17 -4.616 -11.356 6.704 135 2HB ALA 17 HB3 ALA 17 -5.912 -11.722 7.842 136 3HB ALA 17 HB2 ALA 17 -4.470 -12.733 7.796 137 H ALA 18 HN ALA 18 -5.629 -11.362 4.279 138 HA ALA 18 HA ALA 18 -8.158 -10.056 4.463 139 1HB ALA 18 HB3 ALA 18 -6.114 -10.347 2.263 140 2HB ALA 18 HB2 ALA 18 -7.600 -9.426 2.020 141 3HB ALA 18 HB1 ALA 18 -6.449 -8.932 3.262 142 H GLY 19 HN GLY 19 -7.085 -12.897 2.637 143 1HA GLY 19 HA2 GLY 19 -8.353 -14.583 1.603 144 2HA GLY 19 HA1 GLY 19 -9.770 -13.922 2.420 145 H ASP 20 HN ASP 20 -11.300 -13.321 0.967 146 HA ASP 20 HA ASP 20 -10.509 -12.582 -1.784 147 1HB ASP 20 HB2 ASP 20 -13.251 -12.936 -0.542 148 2HB ASP 20 HB1 ASP 20 -12.924 -12.683 -2.257 149 H LYS 21 HN LYS 21 -10.700 -10.895 1.006 150 HA LYS 21 HA LYS 21 -12.303 -8.626 0.125 151 1HB LYS 21 HB2 LYS 21 -10.310 -8.969 2.382 152 2HB LYS 21 HB1 LYS 21 -11.257 -7.507 2.118 153 1HG LYS 21 HG2 LYS 21 -13.339 -8.948 2.208 154 2HG LYS 21 HG1 LYS 21 -12.309 -10.285 2.709 155 1HD LYS 21 HD2 LYS 21 -13.012 -9.435 4.773 156 2HD LYS 21 HD1 LYS 21 -11.471 -8.612 4.557 157 1HE LYS 21 HE2 LYS 21 -12.611 -6.618 3.726 158 2HE LYS 21 HE1 LYS 21 -14.166 -7.441 3.796 159 1HZ LYS 21 HZ3 LYS 21 -12.922 -7.692 6.286 160 2HZ LYS 21 HZ2 LYS 21 -12.837 -6.057 5.830 161 3HZ LYS 21 HZ1 LYS 21 -14.340 -6.845 5.901 162 H LEU 22 HN LEU 22 -11.495 -6.574 -0.585 163 HA LEU 22 HA LEU 22 -9.252 -6.666 -2.317 164 1HB LEU 22 HB2 LEU 22 -11.321 -4.884 -1.854 165 2HB LEU 22 HB1 LEU 22 -9.948 -3.995 -1.214 166 HG LEU 22 HG LEU 22 -10.229 -5.099 -4.013 167 1HD1 LEU 22 HD13 LEU 22 -10.744 -2.466 -2.757 168 2HD1 LEU 22 HD12 LEU 22 -9.694 -2.367 -4.167 169 3HD1 LEU 22 HD11 LEU 22 -11.286 -3.104 -4.305 170 1HD2 LEU 22 HD22 LEU 22 -7.882 -3.895 -2.545 171 2HD2 LEU 22 HD21 LEU 22 -7.919 -5.319 -3.587 172 3HD2 LEU 22 HD23 LEU 22 -8.031 -3.711 -4.288 173 H VAL 23 HN VAL 23 -7.137 -5.643 -2.022 174 HA VAL 23 HA VAL 23 -6.351 -4.966 0.754 175 HB VAL 23 HB VAL 23 -4.862 -6.997 -0.946 176 1HG1 VAL 23 HG12 VAL 23 -4.365 -5.733 1.751 177 2HG1 VAL 23 HG11 VAL 23 -3.635 -7.276 1.307 178 3HG1 VAL 23 HG13 VAL 23 -3.278 -5.828 0.366 179 1HG2 VAL 23 HG21 VAL 23 -6.583 -7.337 1.524 180 2HG2 VAL 23 HG23 VAL 23 -6.864 -8.038 -0.068 181 3HG2 VAL 23 HG22 VAL 23 -5.494 -8.573 0.904 182 H VAL 24 HN VAL 24 -5.311 -3.069 0.578 183 HA VAL 24 HA VAL 24 -3.925 -2.419 -1.995 184 HB VAL 24 HB VAL 24 -4.872 -0.559 0.213 185 1HG1 VAL 24 HG11 VAL 24 -2.966 0.252 -1.213 186 2HG1 VAL 24 HG13 VAL 24 -3.995 0.040 -2.630 187 3HG1 VAL 24 HG12 VAL 24 -4.433 1.215 -1.389 188 1HG2 VAL 24 HG21 VAL 24 -6.118 -1.422 -2.401 189 2HG2 VAL 24 HG23 VAL 24 -6.821 -1.506 -0.787 190 3HG2 VAL 24 HG22 VAL 24 -6.595 0.058 -1.570 191 H VAL 25 HN VAL 25 -1.716 -1.894 -1.912 192 HA VAL 25 HA VAL 25 -0.419 -1.973 0.802 193 HB VAL 25 HB VAL 25 0.743 -3.009 -1.800 194 1HG1 VAL 25 HG13 VAL 25 1.672 -3.129 1.074 195 2HG1 VAL 25 HG12 VAL 25 2.458 -3.958 -0.267 196 3HG1 VAL 25 HG11 VAL 25 2.423 -2.194 -0.219 197 1HG2 VAL 25 HG21 VAL 25 -1.211 -4.337 -0.787 198 2HG2 VAL 25 HG23 VAL 25 0.299 -5.219 -1.016 199 3HG2 VAL 25 HG22 VAL 25 -0.150 -4.640 0.587 200 H ASP 26 HN ASP 26 0.489 -0.070 1.264 201 HA ASP 26 HA ASP 26 1.192 1.802 -0.948 202 1HB ASP 26 HB2 ASP 26 -0.201 2.672 0.880 203 2HB ASP 26 HB1 ASP 26 1.040 2.222 2.052 204 H PHE 27 HN PHE 27 3.276 1.475 -1.680 205 HA PHE 27 HA PHE 27 5.425 0.753 0.262 206 1HB PHE 27 HB2 PHE 27 5.397 1.143 -2.756 207 2HB PHE 27 HB1 PHE 27 6.879 0.888 -1.840 208 HD1 PHE 27 HD1 PHE 27 7.340 -1.262 -0.764 209 HD2 PHE 27 HD2 PHE 27 3.792 -0.646 -3.105 210 HE1 PHE 27 HE1 PHE 27 6.998 -3.712 -0.887 211 HE2 PHE 27 HE2 PHE 27 3.451 -3.099 -3.216 212 HZ PHE 27 HZ PHE 27 5.050 -4.632 -2.115 213 H SER 28 HN SER 28 5.855 2.569 1.445 214 HA SER 28 HA SER 28 6.598 5.060 -0.061 215 1HB SER 28 HB2 SER 28 5.131 4.870 2.589 216 2HB SER 28 HB1 SER 28 5.677 6.359 1.824 217 HG SER 28 HG SER 28 3.987 4.490 0.526 218 H ALA 29 HN ALA 29 8.347 6.212 0.856 219 HA ALA 29 HA ALA 29 10.111 4.542 2.545 220 1HB ALA 29 HB3 ALA 29 10.409 7.030 0.879 221 2HB ALA 29 HB2 ALA 29 11.571 6.753 2.175 222 3HB ALA 29 HB1 ALA 29 11.397 5.571 0.877 223 H THR 30 HN THR 30 9.993 4.776 4.746 224 HA THR 30 HA THR 30 8.386 6.841 5.934 225 HB THR 30 HB THR 30 8.799 4.703 7.088 226 HG1 THR 30 HG1 THR 30 9.560 7.130 8.236 227 1HG2 THR 30 HG22 THR 30 11.187 4.523 6.243 228 2HG2 THR 30 HG21 THR 30 11.635 5.660 7.514 229 3HG2 THR 30 HG23 THR 30 10.948 4.091 7.936 230 H TRP 31 HN TRP 31 11.809 6.537 5.155 231 HA TRP 31 HA TRP 31 12.650 8.879 6.662 232 1HB TRP 31 HB2 TRP 31 14.713 8.748 5.369 233 2HB TRP 31 HB1 TRP 31 14.236 7.136 5.901 234 HD1 TRP 31 HD1 TRP 31 13.732 5.384 4.127 235 HE1 TRP 31 HE1 TRP 31 13.817 5.316 1.555 236 HE3 TRP 31 HE3 TRP 31 14.205 10.364 3.150 237 HZ2 TRP 31 HZ2 TRP 31 14.018 7.145 -0.631 238 HZ3 TRP 31 HZ3 TRP 31 14.317 11.176 0.813 239 HH2 TRP 31 HH2 TRP 31 14.224 9.575 -1.076 240 H CYS 32 HN CYS 32 11.140 8.474 3.528 241 HA CYS 32 HA CYS 32 11.935 11.164 2.624 242 1HB CYS 32 HB2 CYS 32 11.498 9.070 1.143 243 2HB CYS 32 HB1 CYS 32 9.794 9.440 1.358 244 H GLY 33 HN GLY 33 10.980 12.889 3.482 245 1HA GLY 33 HA2 GLY 33 8.678 12.865 5.119 246 2HA GLY 33 HA1 GLY 33 9.364 14.306 4.381 247 HA PRO 34 HA PRO 34 6.247 14.746 1.286 248 1HB PRO 34 HB2 PRO 34 7.618 13.163 -0.840 249 2HB PRO 34 HB1 PRO 34 7.050 14.841 -0.875 250 1HG PRO 34 HG2 PRO 34 9.690 14.189 -0.685 251 2HG PRO 34 HG1 PRO 34 9.017 15.669 0.017 252 1HD PRO 34 HD2 PRO 34 9.956 13.209 1.393 253 2HD PRO 34 HD1 PRO 34 9.803 14.861 2.036 254 H ALA 35 HN ALA 35 7.525 11.412 1.251 255 HA ALA 35 HA ALA 35 5.002 10.276 0.332 256 1HB ALA 35 HB1 ALA 35 7.422 9.290 0.145 257 2HB ALA 35 HB3 ALA 35 7.115 8.680 1.771 258 3HB ALA 35 HB2 ALA 35 6.070 8.195 0.434 259 H LYS 36 HN LYS 36 6.694 10.393 3.472 260 HA LYS 36 HA LYS 36 4.689 9.044 4.982 261 1HB LYS 36 HB2 LYS 36 7.025 9.621 5.759 262 2HB LYS 36 HB1 LYS 36 6.472 11.282 5.962 263 1HG LYS 36 HG2 LYS 36 4.683 10.463 7.500 264 2HG LYS 36 HG1 LYS 36 5.340 8.836 7.351 265 1HD LYS 36 HD2 LYS 36 6.360 9.609 9.318 266 2HD LYS 36 HD1 LYS 36 7.594 9.922 8.102 267 1HE LYS 36 HE2 LYS 36 6.973 12.263 7.984 268 2HE LYS 36 HE1 LYS 36 5.570 11.991 9.019 269 1HZ LYS 36 HZ1 LYS 36 7.690 10.982 10.419 270 2HZ LYS 36 HZ3 LYS 36 8.297 12.409 9.733 271 3HZ LYS 36 HZ2 LYS 36 6.905 12.461 10.707 272 H MET 37 HN MET 37 5.042 12.401 3.996 273 HA MET 37 HA MET 37 3.023 13.574 5.610 274 1HB MET 37 HB2 MET 37 4.710 14.776 4.156 275 2HB MET 37 HB1 MET 37 3.717 14.351 2.766 276 1HG MET 37 HG2 MET 37 2.559 15.811 5.144 277 2HG MET 37 HG1 MET 37 3.329 16.673 3.816 278 1HE MET 37 HE2 MET 37 2.917 16.203 1.467 279 2HE MET 37 HE1 MET 37 1.304 16.081 0.769 280 3HE MET 37 HE3 MET 37 1.761 17.510 1.706 281 H ILE 38 HN ILE 38 2.809 11.661 2.687 282 HA ILE 38 HA ILE 38 0.008 12.343 2.204 283 HB ILE 38 HB ILE 38 1.762 10.187 0.982 284 1HG1 ILE 38 HG12 ILE 38 0.946 12.854 -0.200 285 2HG1 ILE 38 HG11 ILE 38 2.434 12.657 0.724 286 1HG2 ILE 38 HG22 ILE 38 -1.022 11.186 0.387 287 2HG2 ILE 38 HG21 ILE 38 -0.016 10.523 -0.903 288 3HG2 ILE 38 HG23 ILE 38 -0.437 9.525 0.486 289 1HD1 ILE 38 HD11 ILE 38 3.060 10.786 -0.838 290 2HD1 ILE 38 HD13 ILE 38 1.670 11.227 -1.825 291 3HD1 ILE 38 HD12 ILE 38 2.991 12.373 -1.594 292 H LYS 39 HN LYS 39 1.434 10.402 4.509 293 HA LYS 39 HA LYS 39 -0.111 8.041 4.313 294 1HB LYS 39 HB2 LYS 39 0.580 7.450 6.465 295 2HB LYS 39 HB1 LYS 39 1.897 8.414 5.824 296 1HG LYS 39 HG2 LYS 39 1.396 10.252 7.219 297 2HG LYS 39 HG1 LYS 39 -0.241 9.707 7.548 298 1HD LYS 39 HD2 LYS 39 2.264 8.276 8.465 299 2HD LYS 39 HD1 LYS 39 1.325 9.384 9.461 300 1HE LYS 39 HE2 LYS 39 0.273 7.449 10.120 301 2HE LYS 39 HE1 LYS 39 -0.655 7.693 8.643 302 1HZ LYS 39 HZ1 LYS 39 1.615 6.440 7.809 303 2HZ LYS 39 HZ3 LYS 39 1.258 5.667 9.276 304 3HZ LYS 39 HZ2 LYS 39 0.096 5.711 8.035 305 HA PRO 40 HA PRO 40 -3.339 10.215 7.274 306 1HB PRO 40 HB2 PRO 40 -3.717 12.680 5.634 307 2HB PRO 40 HB1 PRO 40 -3.707 12.492 7.398 308 1HG PRO 40 HG2 PRO 40 -1.656 13.655 6.130 309 2HG PRO 40 HG1 PRO 40 -1.381 12.598 7.524 310 1HD PRO 40 HD2 PRO 40 -1.004 12.010 4.617 311 2HD PRO 40 HD1 PRO 40 -0.003 11.489 5.989 312 H PHE 41 HN PHE 41 -3.381 10.881 3.732 313 HA PHE 41 HA PHE 41 -6.217 10.361 3.508 314 1HB PHE 41 HB2 PHE 41 -3.924 10.369 1.536 315 2HB PHE 41 HB1 PHE 41 -5.560 9.944 1.052 316 HD1 PHE 41 HD2 PHE 41 -3.556 12.609 2.693 317 HD2 PHE 41 HD1 PHE 41 -7.171 11.600 0.613 318 HE1 PHE 41 HE2 PHE 41 -4.138 15.015 2.543 319 HE2 PHE 41 HE1 PHE 41 -7.759 14.006 0.465 320 HZ PHE 41 HZ PHE 41 -6.240 15.713 1.428 321 H PHE 42 HN PHE 42 -3.341 8.389 2.806 322 HA PHE 42 HA PHE 42 -4.713 5.989 2.108 323 1HB PHE 42 HB2 PHE 42 -2.319 6.396 1.660 324 2HB PHE 42 HB1 PHE 42 -1.985 6.379 3.398 325 HD1 PHE 42 HD1 PHE 42 -3.262 4.310 0.574 326 HD2 PHE 42 HD2 PHE 42 -1.686 4.328 4.572 327 HE1 PHE 42 HE1 PHE 42 -3.071 1.838 0.512 328 HE2 PHE 42 HE2 PHE 42 -1.495 1.855 4.508 329 HZ PHE 42 HZ PHE 42 -2.188 0.609 2.479 330 H HIS 43 HN HIS 43 -3.303 7.014 5.208 331 HA HIS 43 HA HIS 43 -4.237 4.766 6.722 332 1HB HIS 43 HB2 HIS 43 -2.375 6.202 7.445 333 2HB HIS 43 HB1 HIS 43 -3.477 7.567 7.616 334 HD1 HIS 43 HD1 HIS 43 -2.334 4.470 9.316 335 HD2 HIS 43 HD2 HIS 43 -5.332 7.314 9.799 336 HE1 HIS 43 HE1 HIS 43 -3.354 4.051 11.598 337 H SER 44 HN SER 44 -5.616 8.014 6.180 338 HA SER 44 HA SER 44 -7.779 7.721 8.018 339 1HB SER 44 HB2 SER 44 -7.587 9.409 5.514 340 2HB SER 44 HB1 SER 44 -8.876 9.537 6.702 341 HG SER 44 HG SER 44 -7.328 10.073 8.255 342 H LEU 45 HN LEU 45 -7.479 6.861 4.594 343 HA LEU 45 HA LEU 45 -10.202 6.209 4.121 344 1HB LEU 45 HB2 LEU 45 -7.656 5.211 2.874 345 2HB LEU 45 HB1 LEU 45 -9.238 4.741 2.280 346 HG LEU 45 HG LEU 45 -8.566 7.666 2.651 347 1HD1 LEU 45 HD12 LEU 45 -7.964 5.961 0.214 348 2HD1 LEU 45 HD11 LEU 45 -7.876 7.722 0.268 349 3HD1 LEU 45 HD13 LEU 45 -6.774 6.753 1.246 350 1HD2 LEU 45 HD23 LEU 45 -10.484 6.098 0.895 351 2HD2 LEU 45 HD22 LEU 45 -10.898 7.211 2.198 352 3HD2 LEU 45 HD21 LEU 45 -10.190 7.824 0.709 353 H SER 46 HN SER 46 -7.756 4.429 5.845 354 HA SER 46 HA SER 46 -8.759 1.808 5.530 355 1HB SER 46 HB2 SER 46 -7.564 3.063 8.022 356 2HB SER 46 HB1 SER 46 -7.752 1.334 7.747 357 HG SER 46 HG SER 46 -5.908 1.468 6.763 358 H GLU 47 HN GLU 47 -9.866 4.465 7.572 359 HA GLU 47 HA GLU 47 -11.989 2.764 8.734 360 1HB GLU 47 HB2 GLU 47 -11.252 5.687 9.092 361 2HB GLU 47 HB1 GLU 47 -12.640 4.937 9.874 362 1HG GLU 47 HG2 GLU 47 -9.783 3.962 10.170 363 2HG GLU 47 HG1 GLU 47 -10.604 5.006 11.332 364 H LYS 48 HN LYS 48 -11.529 4.808 5.980 365 HA LYS 48 HA LYS 48 -14.359 5.556 5.779 366 1HB LYS 48 HB2 LYS 48 -12.367 6.844 4.733 367 2HB LYS 48 HB1 LYS 48 -12.363 5.585 3.501 368 1HG LYS 48 HG2 LYS 48 -15.093 6.545 3.885 369 2HG LYS 48 HG1 LYS 48 -14.027 7.910 3.583 370 1HD LYS 48 HD2 LYS 48 -13.155 6.673 1.578 371 2HD LYS 48 HD1 LYS 48 -14.404 5.464 1.874 372 1HE LYS 48 HE2 LYS 48 -16.130 7.250 1.735 373 2HE LYS 48 HE1 LYS 48 -14.860 8.400 1.313 374 1HZ LYS 48 HZ2 LYS 48 -14.304 6.990 -0.591 375 2HZ LYS 48 HZ1 LYS 48 -15.595 5.955 -0.202 376 3HZ LYS 48 HZ3 LYS 48 -15.905 7.557 -0.670 377 H TYR 49 HN TYR 49 -12.172 3.104 4.620 378 HA TYR 49 HA TYR 49 -14.497 1.561 3.484 379 1HB TYR 49 HB2 TYR 49 -11.605 1.691 2.577 380 2HB TYR 49 HB1 TYR 49 -12.711 0.418 2.069 381 HD1 TYR 49 HD2 TYR 49 -14.817 1.043 0.833 382 HD2 TYR 49 HD1 TYR 49 -11.648 3.837 1.571 383 HE1 TYR 49 HE2 TYR 49 -15.711 2.523 -0.941 384 HE2 TYR 49 HE1 TYR 49 -12.535 5.313 -0.200 385 HH TYR 49 HH TYR 49 -14.135 5.630 -1.701 386 H SER 50 HN SER 50 -14.371 1.169 5.991 387 HA SER 50 HA SER 50 -12.284 -0.413 7.096 388 1HB SER 50 HB2 SER 50 -13.828 -0.879 8.880 389 2HB SER 50 HB1 SER 50 -14.136 0.767 8.355 390 HG SER 50 HG SER 50 -15.808 -1.309 8.396 391 H ASN 51 HN ASN 51 -14.490 -1.124 4.661 392 HA ASN 51 HA ASN 51 -14.614 -4.022 5.242 393 1HB ASN 51 HB2 ASN 51 -16.564 -2.718 4.265 394 2HB ASN 51 HB1 ASN 51 -15.611 -2.553 2.790 395 1HD2 ASN 51 HD22 ASN 51 -16.408 -5.786 1.664 396 2HD2 ASN 51 HD21 ASN 51 -15.772 -4.253 1.309 397 H VAL 52 HN VAL 52 -12.239 -2.128 4.202 398 HA VAL 52 HA VAL 52 -11.200 -4.159 2.269 399 HB VAL 52 HB VAL 52 -10.956 -1.142 2.138 400 1HG1 VAL 52 HG11 VAL 52 -9.310 -3.336 0.900 401 2HG1 VAL 52 HG13 VAL 52 -9.619 -1.876 -0.040 402 3HG1 VAL 52 HG12 VAL 52 -8.798 -1.770 1.515 403 1HG2 VAL 52 HG21 VAL 52 -12.091 -3.254 0.280 404 2HG2 VAL 52 HG23 VAL 52 -12.996 -2.014 1.145 405 3HG2 VAL 52 HG22 VAL 52 -11.898 -1.557 -0.156 406 H ILE 53 HN ILE 53 -8.876 -4.493 2.434 407 HA ILE 53 HA ILE 53 -7.835 -3.714 5.145 408 HB ILE 53 HB ILE 53 -6.740 -5.800 3.246 409 1HG1 ILE 53 HG12 ILE 53 -9.026 -6.430 3.735 410 2HG1 ILE 53 HG11 ILE 53 -7.973 -7.425 4.736 411 1HG2 ILE 53 HG21 ILE 53 -5.412 -4.785 5.284 412 2HG2 ILE 53 HG23 ILE 53 -6.486 -5.792 6.250 413 3HG2 ILE 53 HG22 ILE 53 -5.431 -6.528 5.046 414 1HD1 ILE 53 HD13 ILE 53 -8.307 -5.570 6.538 415 2HD1 ILE 53 HD12 ILE 53 -9.688 -5.086 5.557 416 3HD1 ILE 53 HD11 ILE 53 -9.625 -6.705 6.252 417 H PHE 54 HN PHE 54 -6.348 -2.102 5.221 418 HA PHE 54 HA PHE 54 -4.789 -1.436 2.742 419 1HB PHE 54 HB2 PHE 54 -5.371 0.184 5.239 420 2HB PHE 54 HB1 PHE 54 -4.317 0.720 3.934 421 HD1 PHE 54 HD1 PHE 54 -7.799 -0.435 4.652 422 HD2 PHE 54 HD2 PHE 54 -5.224 1.781 2.024 423 HE1 PHE 54 HE1 PHE 54 -9.781 0.433 3.436 424 HE2 PHE 54 HE2 PHE 54 -7.208 2.634 0.794 425 HZ PHE 54 HZ PHE 54 -9.484 1.958 1.504 426 H LEU 55 HN LEU 55 -2.611 -1.829 2.740 427 HA LEU 55 HA LEU 55 -1.252 -2.456 5.342 428 1HB LEU 55 HB2 LEU 55 -0.700 -3.514 2.558 429 2HB LEU 55 HB1 LEU 55 0.453 -3.678 3.879 430 HG LEU 55 HG LEU 55 -1.052 -5.068 5.125 431 1HD1 LEU 55 HD13 LEU 55 -3.125 -4.121 3.166 432 2HD1 LEU 55 HD12 LEU 55 -3.325 -5.672 3.978 433 3HD1 LEU 55 HD11 LEU 55 -3.194 -4.200 4.927 434 1HD2 LEU 55 HD23 LEU 55 0.166 -6.091 3.185 435 2HD2 LEU 55 HD22 LEU 55 -1.302 -6.955 3.638 436 3HD2 LEU 55 HD21 LEU 55 -1.300 -5.902 2.224 437 H GLU 56 HN GLU 56 0.688 -1.466 5.771 438 HA GLU 56 HA GLU 56 1.576 0.669 3.855 439 1HB GLU 56 HB2 GLU 56 0.684 1.426 6.125 440 2HB GLU 56 HB1 GLU 56 2.066 0.599 6.847 441 1HG GLU 56 HG2 GLU 56 3.586 1.952 5.408 442 2HG GLU 56 HG1 GLU 56 2.184 2.837 4.805 443 H VAL 57 HN VAL 57 3.653 0.398 3.086 444 HA VAL 57 HA VAL 57 5.395 -1.624 4.479 445 HB VAL 57 HB VAL 57 5.044 -1.219 1.499 446 1HG1 VAL 57 HG12 VAL 57 6.629 -3.259 3.098 447 2HG1 VAL 57 HG11 VAL 57 6.434 -3.270 1.346 448 3HG1 VAL 57 HG13 VAL 57 7.321 -1.961 2.124 449 1HG2 VAL 57 HG21 VAL 57 3.112 -2.286 2.670 450 2HG2 VAL 57 HG23 VAL 57 3.931 -3.382 1.557 451 3HG2 VAL 57 HG22 VAL 57 4.212 -3.516 3.291 452 H ASP 58 HN ASP 58 7.481 -1.056 4.778 453 HA ASP 58 HA ASP 58 8.416 1.632 3.842 454 1HB ASP 58 HB2 ASP 58 8.502 0.927 6.293 455 2HB ASP 58 HB1 ASP 58 9.720 -0.262 5.805 456 H VAL 59 HN VAL 59 9.728 1.584 2.032 457 HA VAL 59 HA VAL 59 10.805 -0.895 0.999 458 HB VAL 59 HB VAL 59 12.060 0.610 -0.565 459 1HG1 VAL 59 HG12 VAL 59 9.119 1.130 -0.070 460 2HG1 VAL 59 HG11 VAL 59 9.967 1.740 -1.489 461 3HG1 VAL 59 HG13 VAL 59 9.837 0.006 -1.221 462 1HG2 VAL 59 HG22 VAL 59 10.788 2.781 1.132 463 2HG2 VAL 59 HG21 VAL 59 12.515 2.455 0.981 464 3HG2 VAL 59 HG23 VAL 59 11.604 3.053 -0.408 465 H ASP 60 HN ASP 60 11.802 1.332 3.424 466 HA ASP 60 HA ASP 60 14.652 0.528 3.230 467 1HB ASP 60 HB2 ASP 60 13.092 2.574 4.786 468 2HB ASP 60 HB1 ASP 60 14.728 2.151 5.263 469 H ASP 61 HN ASP 61 11.918 0.179 5.544 470 HA ASP 61 HA ASP 61 13.646 -1.608 7.210 471 1HB ASP 61 HB2 ASP 61 10.848 -0.540 7.725 472 2HB ASP 61 HB1 ASP 61 11.754 -1.577 8.819 473 H ALA 62 HN ALA 62 11.251 -1.693 4.781 474 HA ALA 62 HA ALA 62 10.885 -4.638 5.193 475 1HB ALA 62 HB1 ALA 62 8.804 -3.069 5.512 476 2HB ALA 62 HB3 ALA 62 8.839 -2.952 3.752 477 3HB ALA 62 HB2 ALA 62 8.637 -4.523 4.526 478 H GLN 63 HN GLN 63 13.004 -3.450 3.813 479 HA GLN 63 HA GLN 63 12.597 -3.056 1.041 480 1HB GLN 63 HB2 GLN 63 14.991 -3.402 0.797 481 2HB GLN 63 HB1 GLN 63 14.696 -2.502 2.284 482 1HG GLN 63 HG2 GLN 63 14.752 -4.726 3.510 483 2HG GLN 63 HG1 GLN 63 15.337 -5.449 2.011 484 1HE2 GLN 63 HE22 GLN 63 18.600 -4.654 3.152 485 2HE2 GLN 63 HE21 GLN 63 17.507 -5.889 2.750 486 H ASP 64 HN ASP 64 12.543 -6.002 2.885 487 HA ASP 64 HA ASP 64 13.253 -7.800 0.771 488 1HB ASP 64 HB2 ASP 64 11.935 -9.487 2.136 489 2HB ASP 64 HB1 ASP 64 13.212 -8.657 3.017 490 H VAL 65 HN VAL 65 10.180 -6.332 1.774 491 HA VAL 65 HA VAL 65 8.587 -7.827 -0.126 492 HB VAL 65 HB VAL 65 7.936 -5.117 1.082 493 1HG1 VAL 65 HG12 VAL 65 6.498 -5.989 -0.782 494 2HG1 VAL 65 HG11 VAL 65 6.147 -7.404 0.208 495 3HG1 VAL 65 HG13 VAL 65 5.632 -5.805 0.744 496 1HG2 VAL 65 HG21 VAL 65 7.914 -7.879 2.272 497 2HG2 VAL 65 HG23 VAL 65 8.351 -6.348 3.022 498 3HG2 VAL 65 HG22 VAL 65 6.655 -6.743 2.750 499 H ALA 66 HN ALA 66 10.061 -4.592 -0.103 500 HA ALA 66 HA ALA 66 9.005 -3.838 -2.670 501 1HB ALA 66 HB2 ALA 66 9.958 -2.341 -0.780 502 2HB ALA 66 HB1 ALA 66 11.530 -2.684 -1.505 503 3HB ALA 66 HB3 ALA 66 10.272 -1.893 -2.454 504 H SER 67 HN SER 67 12.150 -5.216 -1.666 505 HA SER 67 HA SER 67 13.389 -5.036 -4.229 506 1HB SER 67 HB2 SER 67 14.900 -6.786 -3.434 507 2HB SER 67 HB1 SER 67 14.583 -5.657 -2.120 508 HG SER 67 HG SER 67 12.853 -7.182 -1.529 509 H GLU 68 HN GLU 68 11.184 -7.401 -2.832 510 HA GLU 68 HA GLU 68 11.366 -9.337 -4.936 511 1HB GLU 68 HB2 GLU 68 10.306 -9.716 -2.684 512 2HB GLU 68 HB1 GLU 68 8.943 -8.730 -3.217 513 1HG GLU 68 HG2 GLU 68 8.649 -10.282 -5.160 514 2HG GLU 68 HG1 GLU 68 9.916 -11.304 -4.488 515 H ALA 69 HN ALA 69 9.327 -6.460 -4.481 516 HA ALA 69 HA ALA 69 7.905 -6.971 -7.001 517 1HB ALA 69 HB3 ALA 69 7.773 -4.718 -4.989 518 2HB ALA 69 HB2 ALA 69 6.806 -4.762 -6.463 519 3HB ALA 69 HB1 ALA 69 6.596 -6.010 -5.235 520 H GLU 70 HN GLU 70 10.932 -5.763 -6.383 521 HA GLU 70 HA GLU 70 12.384 -4.379 -7.611 522 1HB GLU 70 HB2 GLU 70 10.384 -5.098 -9.775 523 2HB GLU 70 HB1 GLU 70 11.897 -4.248 -10.076 524 1HG GLU 70 HG2 GLU 70 12.329 -6.556 -10.481 525 2HG GLU 70 HG1 GLU 70 13.078 -6.176 -8.931 526 H VAL 71 HN VAL 71 10.723 -2.853 -6.050 527 HA VAL 71 HA VAL 71 9.131 -0.988 -7.535 528 HB VAL 71 HB VAL 71 10.575 -0.455 -4.916 529 1HG1 VAL 71 HG11 VAL 71 8.107 0.689 -6.270 530 2HG1 VAL 71 HG13 VAL 71 8.534 1.015 -4.593 531 3HG1 VAL 71 HG12 VAL 71 9.607 1.538 -5.895 532 1HG2 VAL 71 HG23 VAL 71 7.958 -1.881 -5.539 533 2HG2 VAL 71 HG22 VAL 71 9.332 -2.511 -4.633 534 3HG2 VAL 71 HG21 VAL 71 8.333 -1.233 -3.942 535 H LYS 72 HN LYS 72 9.722 0.743 -8.720 536 HA LYS 72 HA LYS 72 12.613 1.408 -8.877 537 1HB LYS 72 HB2 LYS 72 10.329 2.005 -10.774 538 2HB LYS 72 HB1 LYS 72 12.024 2.386 -11.070 539 1HG LYS 72 HG2 LYS 72 11.147 -0.454 -10.474 540 2HG LYS 72 HG1 LYS 72 11.081 0.196 -12.111 541 1HD LYS 72 HD2 LYS 72 13.523 0.795 -11.894 542 2HD LYS 72 HD1 LYS 72 13.542 -0.067 -10.356 543 1HE LYS 72 HE2 LYS 72 12.885 -2.139 -11.456 544 2HE LYS 72 HE1 LYS 72 12.725 -1.304 -13.000 545 1HZ LYS 72 HZ1 LYS 72 15.184 -0.626 -12.449 546 2HZ LYS 72 HZ3 LYS 72 15.142 -2.051 -11.527 547 3HZ LYS 72 HZ2 LYS 72 14.825 -2.109 -13.196 548 H ALA 73 HN ALA 73 9.635 2.653 -7.696 549 HA ALA 73 HA ALA 73 10.964 5.106 -6.853 550 1HB ALA 73 HB1 ALA 73 8.862 5.185 -9.006 551 2HB ALA 73 HB3 ALA 73 9.191 6.574 -7.968 552 3HB ALA 73 HB2 ALA 73 10.461 5.931 -9.010 553 H THR 74 HN THR 74 9.749 6.272 -5.273 554 HA THR 74 HA THR 74 7.221 4.967 -4.321 555 HB THR 74 HB THR 74 7.975 5.261 -2.019 556 HG1 THR 74 HG1 THR 74 10.040 6.700 -3.257 557 1HG2 THR 74 HG23 THR 74 10.051 4.045 -3.816 558 2HG2 THR 74 HG22 THR 74 10.187 3.997 -2.064 559 3HG2 THR 74 HG21 THR 74 8.818 3.226 -2.867 560 HA PRO 75 HA PRO 75 5.846 5.587 -2.461 561 1HB PRO 75 HB2 PRO 75 3.301 6.680 -2.482 562 2HB PRO 75 HB1 PRO 75 4.539 7.044 -1.275 563 1HG PRO 75 HG2 PRO 75 3.565 8.724 -3.520 564 2HG PRO 75 HG1 PRO 75 4.309 9.209 -1.990 565 1HD PRO 75 HD2 PRO 75 5.587 9.133 -4.529 566 2HD PRO 75 HD1 PRO 75 6.394 9.336 -2.948 567 H THR 76 HN THR 76 4.850 3.769 -3.247 568 HA THR 76 HA THR 76 3.414 3.938 -5.872 569 HB THR 76 HB THR 76 5.278 1.722 -4.977 570 HG1 THR 76 HG1 THR 76 5.529 3.485 -7.160 571 1HG2 THR 76 HG22 THR 76 3.490 2.071 -7.379 572 2HG2 THR 76 HG21 THR 76 4.868 0.970 -7.387 573 3HG2 THR 76 HG23 THR 76 3.544 0.719 -6.248 574 H PHE 77 HN PHE 77 1.522 2.823 -5.937 575 HA PHE 77 HA PHE 77 0.709 1.387 -3.424 576 1HB PHE 77 HB2 PHE 77 -0.995 2.773 -5.521 577 2HB PHE 77 HB1 PHE 77 -1.592 1.992 -4.054 578 HD1 PHE 77 HD1 PHE 77 -1.063 2.957 -1.806 579 HD2 PHE 77 HD2 PHE 77 0.086 4.914 -5.452 580 HE1 PHE 77 HE1 PHE 77 -0.670 5.064 -0.554 581 HE2 PHE 77 HE2 PHE 77 0.477 7.022 -4.204 582 HZ PHE 77 HZ PHE 77 0.098 7.098 -1.750 583 H GLN 78 HN GLN 78 0.201 -0.749 -3.643 584 HA GLN 78 HA GLN 78 -0.212 -1.844 -6.410 585 1HB GLN 78 HB2 GLN 78 1.307 -3.016 -4.071 586 2HB GLN 78 HB1 GLN 78 0.817 -3.965 -5.475 587 1HG GLN 78 HG2 GLN 78 2.032 -2.347 -6.935 588 2HG GLN 78 HG1 GLN 78 2.608 -1.517 -5.491 589 1HE2 GLN 78 HE22 GLN 78 5.407 -3.715 -5.945 590 2HE2 GLN 78 HE21 GLN 78 4.840 -2.151 -6.276 591 H PHE 79 HN PHE 79 -1.914 -3.195 -6.643 592 HA PHE 79 HA PHE 79 -3.664 -3.545 -4.231 593 1HB PHE 79 HB2 PHE 79 -4.319 -3.521 -7.188 594 2HB PHE 79 HB1 PHE 79 -5.483 -3.850 -5.899 595 HD1 PHE 79 HD2 PHE 79 -3.082 -1.320 -7.193 596 HD2 PHE 79 HD1 PHE 79 -6.416 -2.084 -4.605 597 HE1 PHE 79 HE2 PHE 79 -3.325 1.113 -6.787 598 HE2 PHE 79 HE1 PHE 79 -6.661 0.346 -4.194 599 HZ PHE 79 HZ PHE 79 -5.117 1.945 -5.286 600 H PHE 80 HN PHE 80 -4.009 -5.501 -3.479 601 HA PHE 80 HA PHE 80 -3.350 -7.871 -5.172 602 1HB PHE 80 HB2 PHE 80 -2.885 -7.417 -2.221 603 2HB PHE 80 HB1 PHE 80 -2.803 -9.006 -2.975 604 HD1 PHE 80 HD2 PHE 80 -1.199 -5.661 -2.763 605 HD2 PHE 80 HD1 PHE 80 -0.976 -9.620 -4.435 606 HE1 PHE 80 HE2 PHE 80 1.162 -5.266 -3.406 607 HE2 PHE 80 HE1 PHE 80 1.386 -9.215 -5.072 608 HZ PHE 80 HZ PHE 80 2.454 -7.039 -4.556 609 H LYS 81 HN LYS 81 -4.834 -9.567 -5.099 610 HA LYS 81 HA LYS 81 -7.100 -9.378 -3.182 611 1HB LYS 81 HB2 LYS 81 -7.658 -8.093 -5.343 612 2HB LYS 81 HB1 LYS 81 -7.576 -9.647 -6.170 613 1HG LYS 81 HG2 LYS 81 -9.304 -10.526 -4.610 614 2HG LYS 81 HG1 LYS 81 -9.432 -8.929 -3.886 615 1HD LYS 81 HD2 LYS 81 -9.905 -8.070 -6.261 616 2HD LYS 81 HD1 LYS 81 -10.147 -9.761 -6.703 617 1HE LYS 81 HE2 LYS 81 -11.637 -8.277 -4.515 618 2HE LYS 81 HE1 LYS 81 -12.292 -8.699 -6.099 619 1HZ LYS 81 HZ2 LYS 81 -11.654 -11.071 -5.475 620 2HZ LYS 81 HZ1 LYS 81 -11.536 -10.496 -3.881 621 3HZ LYS 81 HZ3 LYS 81 -13.013 -10.399 -4.709 622 H LYS 82 HN LYS 82 -7.532 -11.449 -2.500 623 HA LYS 82 HA LYS 82 -7.348 -13.786 -2.334 624 1HB LYS 82 HB2 LYS 82 -7.339 -13.582 -5.374 625 2HB LYS 82 HB1 LYS 82 -7.472 -15.084 -4.470 626 1HG LYS 82 HG2 LYS 82 -9.483 -13.971 -3.294 627 2HG LYS 82 HG1 LYS 82 -9.437 -12.806 -4.610 628 1HD LYS 82 HD2 LYS 82 -9.477 -14.816 -6.193 629 2HD LYS 82 HD1 LYS 82 -9.900 -15.783 -4.779 630 1HE LYS 82 HE2 LYS 82 -11.885 -14.430 -4.387 631 2HE LYS 82 HE1 LYS 82 -11.439 -13.336 -5.696 632 1HZ LYS 82 HZ2 LYS 82 -11.577 -16.139 -6.407 633 2HZ LYS 82 HZ1 LYS 82 -13.063 -15.426 -5.994 634 3HZ LYS 82 HZ3 LYS 82 -12.131 -14.772 -7.250 635 H GLY 83 HN GLY 83 -4.938 -12.018 -2.462 636 1HA GLY 83 HA2 GLY 83 -2.637 -12.463 -2.225 637 2HA GLY 83 HA1 GLY 83 -2.964 -14.147 -2.627 638 H GLN 84 HN GLN 84 -4.238 -11.836 -4.836 639 HA GLN 84 HA GLN 84 -1.957 -12.340 -6.703 640 1HB GLN 84 HB2 GLN 84 -4.931 -12.315 -7.250 641 2HB GLN 84 HB1 GLN 84 -3.717 -12.274 -8.526 642 1HG GLN 84 HG2 GLN 84 -3.771 -14.419 -6.393 643 2HG GLN 84 HG1 GLN 84 -4.608 -14.588 -7.937 644 1HE2 GLN 84 HE22 GLN 84 -0.855 -13.875 -9.037 645 2HE2 GLN 84 HE21 GLN 84 -1.961 -12.676 -8.554 646 H LYS 85 HN LYS 85 -1.170 -10.606 -7.853 647 HA LYS 85 HA LYS 85 -2.046 -7.923 -7.047 648 1HB LYS 85 HB2 LYS 85 0.352 -8.481 -7.438 649 2HB LYS 85 HB1 LYS 85 -0.018 -8.746 -9.142 650 1HG LYS 85 HG2 LYS 85 -0.807 -6.414 -9.341 651 2HG LYS 85 HG1 LYS 85 -0.467 -6.151 -7.635 652 1HD LYS 85 HD2 LYS 85 1.458 -5.282 -8.641 653 2HD LYS 85 HD1 LYS 85 1.965 -6.927 -8.265 654 1HE LYS 85 HE2 LYS 85 2.614 -6.376 -10.556 655 2HE LYS 85 HE1 LYS 85 1.354 -7.606 -10.595 656 1HZ LYS 85 HZ3 LYS 85 0.298 -4.945 -10.572 657 2HZ LYS 85 HZ2 LYS 85 1.310 -5.222 -11.910 658 3HZ LYS 85 HZ1 LYS 85 -0.031 -6.228 -11.630 659 H VAL 86 HN VAL 86 -3.614 -6.789 -8.086 660 HA VAL 86 HA VAL 86 -4.264 -7.515 -10.928 661 HB VAL 86 HB VAL 86 -6.599 -6.782 -10.376 662 1HG1 VAL 86 HG13 VAL 86 -5.697 -9.208 -10.228 663 2HG1 VAL 86 HG12 VAL 86 -5.742 -8.974 -8.481 664 3HG1 VAL 86 HG11 VAL 86 -7.226 -8.856 -9.426 665 1HG2 VAL 86 HG22 VAL 86 -5.979 -5.371 -8.423 666 2HG2 VAL 86 HG21 VAL 86 -7.213 -6.563 -8.008 667 3HG2 VAL 86 HG23 VAL 86 -5.537 -6.828 -7.533 668 H GLY 87 HN GLY 87 -2.760 -5.143 -9.233 669 1HA GLY 87 HA2 GLY 87 -3.036 -3.219 -11.322 670 2HA GLY 87 HA1 GLY 87 -4.137 -2.769 -10.024 671 H GLU 88 HN GLU 88 -1.865 -1.262 -10.922 672 HA GLU 88 HA GLU 88 -0.615 -0.720 -8.362 673 1HB GLU 88 HB2 GLU 88 0.861 -2.534 -8.946 674 2HB GLU 88 HB1 GLU 88 1.027 -1.936 -10.593 675 1HG GLU 88 HG2 GLU 88 2.278 -0.011 -9.857 676 2HG GLU 88 HG1 GLU 88 1.916 -0.350 -8.164 677 H PHE 89 HN PHE 89 0.447 1.326 -8.367 678 HA PHE 89 HA PHE 89 0.974 2.679 -10.875 679 1HB PHE 89 HB2 PHE 89 -0.675 4.385 -10.852 680 2HB PHE 89 HB1 PHE 89 -1.550 2.874 -10.658 681 HD1 PHE 89 HD1 PHE 89 -0.179 5.796 -8.853 682 HD2 PHE 89 HD2 PHE 89 -2.892 2.475 -8.697 683 HE1 PHE 89 HE1 PHE 89 -1.201 6.738 -6.802 684 HE2 PHE 89 HE2 PHE 89 -3.914 3.414 -6.636 685 HZ PHE 89 HZ PHE 89 -3.075 5.550 -5.699 686 H SER 90 HN SER 90 1.832 4.890 -10.494 687 HA SER 90 HA SER 90 2.887 5.232 -7.707 688 1HB SER 90 HB2 SER 90 4.990 6.028 -8.702 689 2HB SER 90 HB1 SER 90 4.655 4.368 -9.192 690 HG SER 90 HG SER 90 4.574 5.046 -11.176 691 H GLY 91 HN GLY 91 3.577 7.435 -7.234 692 1HA GLY 91 HA2 GLY 91 3.582 9.814 -8.009 693 2HA GLY 91 HA1 GLY 91 2.045 9.494 -8.801 694 H ALA 92 HN ALA 92 2.888 11.352 -6.536 695 HA ALA 92 HA ALA 92 1.507 10.360 -4.180 696 1HB ALA 92 HB2 ALA 92 2.505 13.076 -5.051 697 2HB ALA 92 HB1 ALA 92 1.712 12.818 -3.502 698 3HB ALA 92 HB3 ALA 92 3.233 11.997 -3.866 699 H ASN 93 HN ASN 93 -0.434 9.811 -5.791 700 HA ASN 93 HA ASN 93 -2.340 12.139 -5.801 701 1HB ASN 93 HB2 ASN 93 -1.698 11.180 -8.070 702 2HB ASN 93 HB1 ASN 93 -2.487 9.684 -7.569 703 1HD2 ASN 93 HD22 ASN 93 -5.366 12.423 -7.197 704 2HD2 ASN 93 HD21 ASN 93 -4.123 12.201 -6.062 705 H LYS 94 HN LYS 94 -3.223 11.745 -3.754 706 HA LYS 94 HA LYS 94 -3.944 9.117 -2.797 707 1HB LYS 94 HB2 LYS 94 -5.282 10.432 -1.127 708 2HB LYS 94 HB1 LYS 94 -3.572 10.837 -1.192 709 1HG LYS 94 HG2 LYS 94 -5.160 12.472 -3.068 710 2HG LYS 94 HG1 LYS 94 -5.725 12.652 -1.412 711 1HD LYS 94 HD2 LYS 94 -3.350 13.098 -0.717 712 2HD LYS 94 HD1 LYS 94 -2.902 13.087 -2.427 713 1HE LYS 94 HE2 LYS 94 -4.489 14.923 -2.851 714 2HE LYS 94 HE1 LYS 94 -4.949 14.923 -1.148 715 1HZ LYS 94 HZ2 LYS 94 -2.176 15.055 -1.254 716 2HZ LYS 94 HZ1 LYS 94 -2.757 16.194 -2.373 717 3HZ LYS 94 HZ3 LYS 94 -3.255 16.268 -0.753 718 H GLU 95 HN GLU 95 -5.747 11.623 -4.577 719 HA GLU 95 HA GLU 95 -8.349 10.523 -4.191 720 1HB GLU 95 HB2 GLU 95 -7.209 12.045 -6.556 721 2HB GLU 95 HB1 GLU 95 -8.924 11.763 -6.270 722 1HG GLU 95 HG2 GLU 95 -7.100 13.184 -4.314 723 2HG GLU 95 HG1 GLU 95 -8.128 14.015 -5.481 724 H LYS 96 HN LYS 96 -5.713 9.700 -6.307 725 HA LYS 96 HA LYS 96 -7.094 8.084 -8.192 726 1HB LYS 96 HB2 LYS 96 -4.705 8.921 -8.261 727 2HB LYS 96 HB1 LYS 96 -4.293 7.630 -7.149 728 1HG LYS 96 HG2 LYS 96 -4.855 5.940 -8.714 729 2HG LYS 96 HG1 LYS 96 -5.707 7.078 -9.761 730 1HD LYS 96 HD2 LYS 96 -3.568 8.242 -10.217 731 2HD LYS 96 HD1 LYS 96 -2.722 7.063 -9.217 732 1HE LYS 96 HE2 LYS 96 -3.507 5.247 -10.716 733 2HE LYS 96 HE1 LYS 96 -4.316 6.447 -11.725 734 1HZ LYS 96 HZ3 LYS 96 -1.606 7.153 -11.242 735 2HZ LYS 96 HZ2 LYS 96 -1.715 5.610 -11.944 736 3HZ LYS 96 HZ1 LYS 96 -2.417 6.950 -12.718 737 H LEU 97 HN LEU 97 -5.856 7.413 -4.957 738 HA LEU 97 HA LEU 97 -6.089 4.576 -4.969 739 1HB LEU 97 HB2 LEU 97 -6.408 6.655 -2.797 740 2HB LEU 97 HB1 LEU 97 -6.554 4.941 -2.454 741 HG LEU 97 HG LEU 97 -4.151 6.196 -3.785 742 1HD1 LEU 97 HD13 LEU 97 -4.687 5.529 -0.882 743 2HD1 LEU 97 HD12 LEU 97 -3.078 5.860 -1.525 744 3HD1 LEU 97 HD11 LEU 97 -4.319 7.113 -1.565 745 1HD2 LEU 97 HD22 LEU 97 -4.903 3.418 -2.898 746 2HD2 LEU 97 HD21 LEU 97 -3.974 3.929 -4.303 747 3HD2 LEU 97 HD23 LEU 97 -3.231 3.912 -2.713 748 H GLU 98 HN GLU 98 -8.383 7.144 -4.325 749 HA GLU 98 HA GLU 98 -10.538 5.515 -3.406 750 1HB GLU 98 HB2 GLU 98 -10.451 7.995 -3.210 751 2HB GLU 98 HB1 GLU 98 -10.726 8.120 -4.944 752 1HG GLU 98 HG2 GLU 98 -12.622 6.577 -3.171 753 2HG GLU 98 HG1 GLU 98 -12.785 8.319 -3.380 754 H ALA 99 HN ALA 99 -9.729 6.603 -6.701 755 HA ALA 99 HA ALA 99 -12.047 5.398 -7.891 756 1HB ALA 99 HB1 ALA 99 -10.734 7.174 -8.998 757 2HB ALA 99 HB3 ALA 99 -9.381 6.054 -9.169 758 3HB ALA 99 HB2 ALA 99 -10.891 5.750 -10.027 759 H THR 100 HN THR 100 -8.693 4.186 -7.552 760 HA THR 100 HA THR 100 -9.197 1.791 -9.039 761 HB THR 100 HB THR 100 -7.188 2.094 -6.793 762 HG1 THR 100 HG1 THR 100 -7.162 3.790 -8.431 763 1HG2 THR 100 HG22 THR 100 -7.397 0.352 -9.262 764 2HG2 THR 100 HG21 THR 100 -5.913 0.526 -8.330 765 3HG2 THR 100 HG23 THR 100 -7.349 -0.171 -7.580 766 H ILE 101 HN ILE 101 -9.491 2.542 -5.586 767 HA ILE 101 HA ILE 101 -10.100 -0.113 -4.668 768 HB ILE 101 HB ILE 101 -10.947 2.626 -3.655 769 1HG1 ILE 101 HG12 ILE 101 -8.988 0.670 -2.432 770 2HG1 ILE 101 HG11 ILE 101 -8.484 1.875 -3.617 771 1HG2 ILE 101 HG22 ILE 101 -11.393 -0.136 -2.497 772 2HG2 ILE 101 HG21 ILE 101 -11.429 1.324 -1.509 773 3HG2 ILE 101 HG23 ILE 101 -12.597 1.114 -2.814 774 1HD1 ILE 101 HD11 ILE 101 -9.462 3.654 -2.158 775 2HD1 ILE 101 HD13 ILE 101 -9.829 2.420 -0.955 776 3HD1 ILE 101 HD12 ILE 101 -8.153 2.772 -1.371 777 H ASN 102 HN ASN 102 -12.200 2.581 -5.687 778 HA ASN 102 HA ASN 102 -14.680 1.196 -5.482 779 1HB ASN 102 HB2 ASN 102 -14.458 3.665 -5.806 780 2HB ASN 102 HB1 ASN 102 -13.903 3.373 -7.454 781 1HD2 ASN 102 HD22 ASN 102 -17.840 3.459 -6.717 782 2HD2 ASN 102 HD21 ASN 102 -16.672 3.977 -5.600 783 H GLU 103 HN GLU 103 -12.227 1.346 -7.984 784 HA GLU 103 HA GLU 103 -13.735 0.073 -10.060 785 1HB GLU 103 HB2 GLU 103 -11.571 1.391 -10.281 786 2HB GLU 103 HB1 GLU 103 -10.742 -0.024 -9.642 787 1HG GLU 103 HG2 GLU 103 -11.698 -1.403 -11.473 788 2HG GLU 103 HG1 GLU 103 -12.431 0.049 -12.155 789 H LEU 104 HN LEU 104 -11.554 -1.205 -7.537 790 HA LEU 104 HA LEU 104 -12.103 -3.981 -8.468 791 1HB LEU 104 HB2 LEU 104 -10.200 -2.940 -6.359 792 2HB LEU 104 HB1 LEU 104 -10.333 -4.623 -6.858 793 HG LEU 104 HG LEU 104 -9.613 -2.325 -8.702 794 1HD1 LEU 104 HD12 LEU 104 -7.879 -4.421 -7.361 795 2HD1 LEU 104 HD11 LEU 104 -7.323 -3.292 -8.597 796 3HD1 LEU 104 HD13 LEU 104 -7.866 -2.689 -7.033 797 1HD2 LEU 104 HD23 LEU 104 -9.917 -5.312 -9.048 798 2HD2 LEU 104 HD22 LEU 104 -10.468 -4.010 -10.103 799 3HD2 LEU 104 HD21 LEU 104 -8.761 -4.432 -10.047 800 H VAL 105 HN VAL 105 -13.479 -1.823 -6.272 801 HA VAL 105 HA VAL 105 -13.824 -3.521 -3.996 802 HB VAL 105 HB VAL 105 -14.400 -1.018 -4.164 803 1HG1 VAL 105 HG13 VAL 105 -15.935 -1.535 -6.226 804 2HG1 VAL 105 HG12 VAL 105 -17.135 -1.962 -5.010 805 3HG1 VAL 105 HG11 VAL 105 -16.462 -0.331 -5.051 806 1HG2 VAL 105 HG22 VAL 105 -16.301 -3.019 -2.916 807 2HG2 VAL 105 HG21 VAL 105 -14.905 -2.255 -2.156 808 3HG2 VAL 105 HG23 VAL 105 -16.330 -1.294 -2.550 809 HA PRO 59 HA PRO 106 13.973 16.765 -14.167 810 1HB PRO 59 HB2 PRO 106 16.399 17.176 -12.462 811 2HB PRO 59 HB1 PRO 106 16.288 16.666 -14.160 812 1HG PRO 59 HG2 PRO 106 17.093 19.123 -13.500 813 2HG PRO 59 HG1 PRO 106 16.090 18.834 -14.935 814 1HD PRO 59 HD2 PRO 106 15.287 19.955 -12.268 815 2HD PRO 59 HD1 PRO 106 14.717 20.398 -13.894 816 H ALA 60 HN ALA 107 14.161 17.941 -10.848 817 HA ALA 60 HA ALA 107 13.700 15.171 -9.807 818 1HB ALA 60 HB2 ALA 107 15.587 16.430 -8.804 819 2HB ALA 60 HB1 ALA 107 14.472 17.715 -8.340 820 3HB ALA 60 HB3 ALA 107 14.320 16.113 -7.619 821 H THR 61 HN THR 108 11.628 14.687 -9.303 822 HA THR 61 HA THR 108 9.678 16.928 -8.923 823 HB THR 61 HB THR 108 9.098 13.984 -9.365 824 HG1 THR 61 HG1 THR 108 8.735 15.765 -11.423 825 1HG2 THR 61 HG21 THR 108 7.330 15.552 -8.415 826 2HG2 THR 61 HG23 THR 108 7.400 16.415 -9.951 827 3HG2 THR 61 HG22 THR 108 6.894 14.725 -9.909 828 H LEU 62 HN LEU 109 8.903 17.298 -6.900 829 HA LEU 62 HA LEU 109 9.805 15.747 -4.636 830 1HB LEU 62 HB2 LEU 109 7.734 17.933 -4.939 831 2HB LEU 62 HB1 LEU 109 8.108 17.194 -3.386 832 HG LEU 62 HG LEU 109 10.203 18.453 -5.180 833 1HD1 LEU 62 HD13 LEU 109 8.701 19.652 -2.832 834 2HD1 LEU 62 HD12 LEU 109 10.087 20.394 -3.630 835 3HD1 LEU 62 HD11 LEU 109 8.580 20.163 -4.516 836 1HD2 LEU 62 HD23 LEU 109 10.183 17.263 -2.409 837 2HD2 LEU 62 HD22 LEU 109 11.395 17.115 -3.680 838 3HD2 LEU 62 HD21 LEU 109 11.282 18.600 -2.744 839 H LYS 63 HN LYS 110 7.008 15.660 -6.684 840 HA LYS 63 HA LYS 110 5.188 14.274 -5.000 841 1HB LYS 63 HB2 LYS 110 5.542 14.020 -8.004 842 2HB LYS 63 HB1 LYS 110 4.107 13.565 -7.094 843 1HG LYS 63 HG2 LYS 110 5.239 16.364 -7.374 844 2HG LYS 63 HG1 LYS 110 3.766 15.754 -8.124 845 1HD LYS 63 HD2 LYS 110 3.030 15.243 -5.660 846 2HD LYS 63 HD1 LYS 110 4.291 16.394 -5.225 847 1HE LYS 63 HE2 LYS 110 3.248 18.088 -6.701 848 2HE LYS 63 HE1 LYS 110 1.972 16.939 -7.102 849 1HZ LYS 63 HZ3 LYS 110 2.114 16.989 -4.348 850 2HZ LYS 63 HZ2 LYS 110 2.215 18.615 -4.832 851 3HZ LYS 63 HZ1 LYS 110 0.898 17.659 -5.322 852 H ILE 64 HN ILE 111 8.119 13.223 -6.523 853 HA ILE 64 HA ILE 111 7.551 10.388 -5.668 854 HB ILE 64 HB ILE 111 9.023 11.356 -8.145 855 1HG1 ILE 64 HG12 ILE 111 6.593 11.310 -8.415 856 2HG1 ILE 64 HG11 ILE 111 7.323 10.006 -9.343 857 1HG2 ILE 64 HG23 ILE 111 8.846 8.618 -6.880 858 2HG2 ILE 64 HG22 ILE 111 9.219 8.839 -8.591 859 3HG2 ILE 64 HG21 ILE 111 10.292 9.507 -7.359 860 1HD1 ILE 64 HD13 ILE 111 6.872 8.645 -7.066 861 2HD1 ILE 64 HD12 ILE 111 5.621 9.870 -6.889 862 3HD1 ILE 64 HD11 ILE 111 5.635 8.819 -8.306 863 H CYS 65 HN CYS 112 9.234 9.399 -4.534 864 HA CYS 65 HA CYS 112 11.604 11.088 -3.890 865 1HB CYS 65 HB2 CYS 112 10.739 8.459 -2.625 866 2HB CYS 65 HB1 CYS 112 12.026 9.513 -2.054 867 H SER 66 HN SER 113 13.493 10.620 -4.964 868 HA SER 66 HA SER 113 13.591 8.355 -6.798 869 1HB SER 66 HB2 SER 113 15.702 10.376 -5.985 870 2HB SER 66 HB1 SER 113 15.886 9.206 -7.289 871 HG SER 66 HG SER 113 15.118 11.314 -7.947 872 H TRP 67 HN TRP 114 14.796 6.453 -6.599 873 HA TRP 67 HA TRP 114 15.574 5.641 -3.903 874 1HB TRP 67 HB2 TRP 114 15.795 4.265 -6.597 875 2HB TRP 67 HB1 TRP 114 16.331 3.527 -5.085 876 HD1 TRP 67 HD1 TRP 114 13.142 5.450 -6.134 877 HE1 TRP 67 HE1 TRP 114 11.106 4.160 -5.250 878 HE3 TRP 67 HE3 TRP 114 15.465 1.479 -3.935 879 HZ2 TRP 67 HZ2 TRP 114 10.548 1.785 -3.781 880 HZ3 TRP 67 HZ3 TRP 114 14.162 -0.278 -2.804 881 HH2 TRP 67 HH2 TRP 114 11.697 -0.131 -2.735 882 H ASN 68 HN ASN 115 17.043 7.350 -6.401 883 HA ASN 68 HA ASN 115 19.717 6.466 -6.423 884 1HB ASN 68 HB2 ASN 115 18.573 9.277 -6.560 885 2HB ASN 68 HB1 ASN 115 20.272 8.901 -6.867 886 1HD2 ASN 68 HD22 ASN 115 18.292 6.650 -9.520 887 2HD2 ASN 68 HD21 ASN 115 18.431 6.255 -7.874 888 H VAL 69 HN VAL 116 17.878 7.642 -3.820 889 HA VAL 69 HA VAL 116 19.855 9.013 -2.281 890 HB VAL 69 HB VAL 116 18.433 8.288 -0.311 891 1HG1 VAL 69 HG12 VAL 116 17.982 10.317 -1.783 892 2HG1 VAL 69 HG11 VAL 116 16.803 9.326 -2.643 893 3HG1 VAL 69 HG13 VAL 116 16.577 9.680 -0.932 894 1HG2 VAL 69 HG21 VAL 116 17.770 6.094 -1.384 895 2HG2 VAL 69 HG23 VAL 116 16.409 7.018 -0.748 896 3HG2 VAL 69 HG22 VAL 116 16.739 7.014 -2.476 897 H ASP 70 HN ASP 117 21.390 8.229 -0.787 898 HA ASP 70 HA ASP 117 22.625 5.734 -1.354 899 1HB ASP 70 HB2 ASP 117 22.754 7.501 1.108 900 2HB ASP 70 HB1 ASP 117 23.786 6.090 0.874 901 H GLY 71 HN GLY 118 20.269 6.643 1.148 902 1HA GLY 71 HA2 GLY 118 20.286 4.009 2.383 903 2HA GLY 71 HA1 GLY 118 19.111 5.289 2.694 No H/Q in entry = 903 Start of MODEL 17 1 1H MET 1 HT2 MET 1 -8.422 -2.677 7.821 2 2H MET 1 HT1 MET 1 -8.330 -3.800 9.091 3 3H MET 1 HT3 MET 1 -9.661 -2.759 8.976 4 HA MET 1 HA MET 1 -8.501 -0.927 9.709 5 1HB MET 1 HB2 MET 1 -7.177 -3.329 11.017 6 2HB MET 1 HB1 MET 1 -7.155 -1.691 11.663 7 1HG MET 1 HG2 MET 1 -9.672 -3.287 11.117 8 2HG MET 1 HG1 MET 1 -8.927 -3.100 12.703 9 1HE MET 1 HE3 MET 1 -11.085 -2.228 13.702 10 2HE MET 1 HE2 MET 1 -12.050 -0.896 13.073 11 3HE MET 1 HE1 MET 1 -11.922 -2.390 12.152 12 H VAL 2 HN VAL 2 -5.898 -0.688 10.710 13 HA VAL 2 HA VAL 2 -4.326 -0.611 8.164 14 HB VAL 2 HB VAL 2 -3.911 0.780 10.836 15 1HG1 VAL 2 HG11 VAL 2 -2.394 0.905 8.213 16 2HG1 VAL 2 HG13 VAL 2 -2.215 2.095 9.505 17 3HG1 VAL 2 HG12 VAL 2 -1.762 0.413 9.784 18 1HG2 VAL 2 HG21 VAL 2 -5.862 1.452 9.272 19 2HG2 VAL 2 HG23 VAL 2 -4.747 2.730 9.757 20 3HG2 VAL 2 HG22 VAL 2 -4.610 2.004 8.156 21 H LYS 3 HN LYS 3 -2.575 -1.966 7.921 22 HA LYS 3 HA LYS 3 -1.506 -3.409 10.330 23 1HB LYS 3 HB2 LYS 3 -3.025 -4.845 8.898 24 2HB LYS 3 HB1 LYS 3 -1.933 -4.568 7.547 25 1HG LYS 3 HG2 LYS 3 -1.164 -6.620 8.381 26 2HG LYS 3 HG1 LYS 3 -0.089 -5.478 9.177 27 1HD LYS 3 HD2 LYS 3 -1.426 -5.553 11.209 28 2HD LYS 3 HD1 LYS 3 -2.630 -6.565 10.413 29 1HE LYS 3 HE2 LYS 3 -0.948 -8.342 10.110 30 2HE LYS 3 HE1 LYS 3 0.262 -7.334 10.905 31 1HZ LYS 3 HZ3 LYS 3 -2.037 -7.463 12.521 32 2HZ LYS 3 HZ2 LYS 3 -1.587 -9.045 12.092 33 3HZ LYS 3 HZ1 LYS 3 -0.472 -8.021 12.862 34 H GLN 4 HN GLN 4 0.702 -3.192 10.469 35 HA GLN 4 HA GLN 4 2.145 -1.998 8.137 36 1HB GLN 4 HB2 GLN 4 2.372 -0.922 10.383 37 2HB GLN 4 HB1 GLN 4 3.056 -2.425 11.008 38 1HG GLN 4 HG2 GLN 4 4.920 -2.272 9.423 39 2HG GLN 4 HG1 GLN 4 4.227 -0.814 8.716 40 1HE2 GLN 4 HE22 GLN 4 6.342 0.933 10.988 41 2HE2 GLN 4 HE21 GLN 4 6.072 0.528 9.361 42 H ILE 5 HN ILE 5 3.328 -3.369 6.876 43 HA ILE 5 HA ILE 5 3.996 -6.088 7.943 44 HB ILE 5 HB ILE 5 4.172 -5.084 5.099 45 1HG1 ILE 5 HG12 ILE 5 1.857 -4.882 5.800 46 2HG1 ILE 5 HG11 ILE 5 2.003 -6.319 4.791 47 1HG2 ILE 5 HG22 ILE 5 4.165 -7.825 6.375 48 2HG2 ILE 5 HG21 ILE 5 4.026 -7.533 4.648 49 3HG2 ILE 5 HG23 ILE 5 5.493 -7.062 5.494 50 1HD1 ILE 5 HD12 ILE 5 2.371 -7.580 7.054 51 2HD1 ILE 5 HD11 ILE 5 1.659 -6.144 7.780 52 3HD1 ILE 5 HD13 ILE 5 0.736 -7.091 6.617 53 H GLU 6 HN GLU 6 5.994 -6.132 8.843 54 HA GLU 6 HA GLU 6 8.099 -4.301 7.839 55 1HB GLU 6 HB2 GLU 6 8.108 -6.210 10.203 56 2HB GLU 6 HB1 GLU 6 9.318 -4.979 9.850 57 1HG GLU 6 HG2 GLU 6 7.938 -3.916 11.433 58 2HG GLU 6 HG1 GLU 6 7.332 -3.307 9.894 59 H SER 7 HN SER 7 6.999 -7.375 7.086 60 HA SER 7 HA SER 7 9.596 -8.027 5.837 61 1HB SER 7 HB2 SER 7 9.698 -10.302 6.803 62 2HB SER 7 HB1 SER 7 9.832 -9.063 8.052 63 HG SER 7 HG SER 7 7.254 -9.623 7.661 64 H LYS 8 HN LYS 8 9.449 -9.669 4.208 65 HA LYS 8 HA LYS 8 6.974 -9.747 2.747 66 1HB LYS 8 HB2 LYS 8 9.295 -10.111 1.760 67 2HB LYS 8 HB1 LYS 8 9.262 -11.708 2.503 68 1HG LYS 8 HG2 LYS 8 7.169 -12.225 1.271 69 2HG LYS 8 HG1 LYS 8 7.267 -10.652 0.486 70 1HD LYS 8 HD2 LYS 8 8.169 -12.418 -0.978 71 2HD LYS 8 HD1 LYS 8 9.427 -11.272 -0.529 72 1HE LYS 8 HE2 LYS 8 9.916 -13.850 -0.397 73 2HE LYS 8 HE1 LYS 8 10.488 -12.802 0.897 74 1HZ LYS 8 HZ3 LYS 8 7.787 -13.898 1.130 75 2HZ LYS 8 HZ2 LYS 8 9.082 -14.973 1.359 76 3HZ LYS 8 HZ1 LYS 8 8.938 -13.589 2.335 77 H THR 9 HN THR 9 8.450 -11.784 5.177 78 HA THR 9 HA THR 9 6.862 -14.115 4.849 79 HB THR 9 HB THR 9 7.913 -12.926 7.433 80 HG1 THR 9 HG1 THR 9 9.479 -13.259 5.768 81 1HG2 THR 9 HG23 THR 9 6.265 -14.747 7.758 82 2HG2 THR 9 HG22 THR 9 7.218 -15.784 6.695 83 3HG2 THR 9 HG21 THR 9 7.889 -15.246 8.237 84 H ALA 10 HN ALA 10 6.297 -11.210 6.820 85 HA ALA 10 HA ALA 10 3.680 -12.090 7.709 86 1HB ALA 10 HB2 ALA 10 5.167 -9.461 7.717 87 2HB ALA 10 HB1 ALA 10 3.474 -9.537 8.206 88 3HB ALA 10 HB3 ALA 10 4.689 -10.460 9.090 89 H PHE 11 HN PHE 11 4.931 -10.352 4.932 90 HA PHE 11 HA PHE 11 2.517 -9.176 3.998 91 1HB PHE 11 HB2 PHE 11 4.861 -8.858 3.046 92 2HB PHE 11 HB1 PHE 11 4.682 -10.414 2.268 93 HD1 PHE 11 HD1 PHE 11 2.748 -7.228 2.701 94 HD2 PHE 11 HD2 PHE 11 3.895 -10.422 0.068 95 HE1 PHE 11 HE1 PHE 11 1.541 -6.129 0.837 96 HE2 PHE 11 HE2 PHE 11 2.685 -9.324 -1.793 97 HZ PHE 11 HZ PHE 11 1.510 -7.182 -1.409 98 H GLN 12 HN GLN 12 3.902 -12.405 3.431 99 HA GLN 12 HA GLN 12 1.836 -13.331 1.674 100 1HB GLN 12 HB2 GLN 12 3.588 -14.866 3.633 101 2HB GLN 12 HB1 GLN 12 2.644 -15.599 2.336 102 1HG GLN 12 HG2 GLN 12 4.846 -13.541 1.940 103 2HG GLN 12 HG1 GLN 12 5.015 -15.279 1.678 104 1HE2 GLN 12 HE22 GLN 12 2.876 -15.251 -1.260 105 2HE2 GLN 12 HE21 GLN 12 3.213 -16.198 0.106 106 H GLU 13 HN GLU 13 2.226 -13.466 5.193 107 HA GLU 13 HA GLU 13 -0.145 -14.974 5.755 108 1HB GLU 13 HB2 GLU 13 1.589 -13.097 7.366 109 2HB GLU 13 HB1 GLU 13 0.142 -13.814 8.063 110 1HG GLU 13 HG2 GLU 13 1.004 -16.071 7.486 111 2HG GLU 13 HG1 GLU 13 2.480 -15.325 6.866 112 H ALA 14 HN ALA 14 0.443 -11.482 5.502 113 HA ALA 14 HA ALA 14 -2.162 -10.671 6.381 114 1HB ALA 14 HB1 ALA 14 -0.032 -9.240 6.045 115 2HB ALA 14 HB3 ALA 14 -0.505 -9.164 4.349 116 3HB ALA 14 HB2 ALA 14 -1.571 -8.512 5.593 117 H LEU 15 HN LEU 15 -0.838 -11.433 3.165 118 HA LEU 15 HA LEU 15 -3.162 -10.735 1.677 119 1HB LEU 15 HB2 LEU 15 -1.012 -12.805 1.191 120 2HB LEU 15 HB1 LEU 15 -2.257 -12.412 0.003 121 HG LEU 15 HG LEU 15 -0.533 -10.260 1.234 122 1HD1 LEU 15 HD12 LEU 15 0.135 -12.158 -1.002 123 2HD1 LEU 15 HD11 LEU 15 0.747 -10.510 -1.035 124 3HD1 LEU 15 HD13 LEU 15 1.159 -11.569 0.307 125 1HD2 LEU 15 HD21 LEU 15 -2.208 -10.505 -1.281 126 2HD2 LEU 15 HD23 LEU 15 -2.410 -9.363 0.042 127 3HD2 LEU 15 HD22 LEU 15 -1.040 -9.214 -1.050 128 H ASP 16 HN ASP 16 -2.184 -13.695 3.311 129 HA ASP 16 HA ASP 16 -4.460 -15.228 2.453 130 1HB ASP 16 HB2 ASP 16 -2.268 -16.154 3.364 131 2HB ASP 16 HB1 ASP 16 -2.852 -15.706 4.972 132 H ALA 17 HN ALA 17 -3.798 -13.147 5.228 133 HA ALA 17 HA ALA 17 -6.121 -13.889 6.746 134 1HB ALA 17 HB3 ALA 17 -4.516 -11.315 6.764 135 2HB ALA 17 HB2 ALA 17 -5.713 -11.769 7.977 136 3HB ALA 17 HB1 ALA 17 -4.244 -12.721 7.794 137 H ALA 18 HN ALA 18 -5.562 -11.306 4.362 138 HA ALA 18 HA ALA 18 -8.090 -10.015 4.678 139 1HB ALA 18 HB3 ALA 18 -6.138 -9.114 3.366 140 2HB ALA 18 HB2 ALA 18 -6.514 -10.290 2.109 141 3HB ALA 18 HB1 ALA 18 -7.676 -9.025 2.508 142 H GLY 19 HN GLY 19 -7.123 -12.912 2.937 143 1HA GLY 19 HA2 GLY 19 -8.457 -14.581 1.953 144 2HA GLY 19 HA1 GLY 19 -9.854 -13.815 2.723 145 H ASP 20 HN ASP 20 -11.318 -13.236 1.218 146 HA ASP 20 HA ASP 20 -10.452 -12.581 -1.534 147 1HB ASP 20 HB2 ASP 20 -13.215 -12.846 -0.317 148 2HB ASP 20 HB1 ASP 20 -12.860 -12.653 -2.035 149 H LYS 21 HN LYS 21 -10.792 -10.845 1.267 150 HA LYS 21 HA LYS 21 -12.278 -8.546 0.282 151 1HB LYS 21 HB2 LYS 21 -10.344 -8.819 2.602 152 2HB LYS 21 HB1 LYS 21 -11.424 -7.451 2.328 153 1HG LYS 21 HG2 LYS 21 -13.346 -9.149 2.346 154 2HG LYS 21 HG1 LYS 21 -12.173 -10.317 2.950 155 1HD LYS 21 HD2 LYS 21 -13.042 -9.493 4.954 156 2HD LYS 21 HD1 LYS 21 -11.644 -8.442 4.738 157 1HE LYS 21 HE2 LYS 21 -13.118 -6.731 3.706 158 2HE LYS 21 HE1 LYS 21 -14.507 -7.783 3.962 159 1HZ LYS 21 HZ3 LYS 21 -12.994 -7.501 6.342 160 2HZ LYS 21 HZ2 LYS 21 -13.447 -5.977 5.745 161 3HZ LYS 21 HZ1 LYS 21 -14.630 -7.151 6.069 162 H LEU 22 HN LEU 22 -11.363 -6.506 -0.396 163 HA LEU 22 HA LEU 22 -9.089 -6.652 -2.053 164 1HB LEU 22 HB2 LEU 22 -10.677 -4.415 -0.864 165 2HB LEU 22 HB1 LEU 22 -9.107 -3.998 -1.513 166 HG LEU 22 HG LEU 22 -11.259 -5.459 -3.048 167 1HD1 LEU 22 HD12 LEU 22 -10.346 -2.567 -3.030 168 2HD1 LEU 22 HD11 LEU 22 -11.422 -3.251 -4.241 169 3HD1 LEU 22 HD13 LEU 22 -11.929 -3.172 -2.555 170 1HD2 LEU 22 HD21 LEU 22 -8.394 -5.009 -3.521 171 2HD2 LEU 22 HD23 LEU 22 -9.544 -5.954 -4.466 172 3HD2 LEU 22 HD22 LEU 22 -9.353 -4.233 -4.769 173 H VAL 23 HN VAL 23 -7.024 -5.548 -1.815 174 HA VAL 23 HA VAL 23 -6.049 -5.095 0.932 175 HB VAL 23 HB VAL 23 -4.841 -7.145 -0.950 176 1HG1 VAL 23 HG13 VAL 23 -3.894 -5.923 1.646 177 2HG1 VAL 23 HG12 VAL 23 -3.338 -7.512 1.122 178 3HG1 VAL 23 HG11 VAL 23 -3.011 -6.095 0.132 179 1HG2 VAL 23 HG22 VAL 23 -6.287 -7.340 1.695 180 2HG2 VAL 23 HG21 VAL 23 -6.725 -8.106 0.164 181 3HG2 VAL 23 HG23 VAL 23 -5.296 -8.649 1.046 182 H VAL 24 HN VAL 24 -5.311 -3.050 0.590 183 HA VAL 24 HA VAL 24 -3.839 -2.458 -1.943 184 HB VAL 24 HB VAL 24 -4.860 -0.561 0.208 185 1HG1 VAL 24 HG11 VAL 24 -2.905 0.227 -1.179 186 2HG1 VAL 24 HG13 VAL 24 -3.887 -0.031 -2.618 187 3HG1 VAL 24 HG12 VAL 24 -4.368 1.176 -1.428 188 1HG2 VAL 24 HG22 VAL 24 -5.977 -1.340 -2.492 189 2HG2 VAL 24 HG21 VAL 24 -6.724 -1.634 -0.926 190 3HG2 VAL 24 HG23 VAL 24 -6.562 0.015 -1.530 191 H VAL 25 HN VAL 25 -1.633 -1.883 -1.835 192 HA VAL 25 HA VAL 25 -0.368 -1.978 0.895 193 HB VAL 25 HB VAL 25 0.849 -2.997 -1.688 194 1HG1 VAL 25 HG12 VAL 25 2.320 -2.242 0.282 195 2HG1 VAL 25 HG11 VAL 25 1.655 -3.633 1.150 196 3HG1 VAL 25 HG13 VAL 25 2.582 -3.873 -0.331 197 1HG2 VAL 25 HG21 VAL 25 -1.179 -4.308 -0.946 198 2HG2 VAL 25 HG23 VAL 25 0.318 -5.236 -0.948 199 3HG2 VAL 25 HG22 VAL 25 -0.338 -4.633 0.570 200 H ASP 26 HN ASP 26 0.713 -0.142 1.383 201 HA ASP 26 HA ASP 26 1.433 1.748 -0.834 202 1HB ASP 26 HB2 ASP 26 0.043 2.617 1.062 203 2HB ASP 26 HB1 ASP 26 1.363 2.236 2.169 204 H PHE 27 HN PHE 27 3.534 1.619 -1.500 205 HA PHE 27 HA PHE 27 5.617 0.543 0.323 206 1HB PHE 27 HB2 PHE 27 5.569 1.174 -2.640 207 2HB PHE 27 HB1 PHE 27 7.075 0.811 -1.786 208 HD1 PHE 27 HD1 PHE 27 7.339 -1.387 -0.608 209 HD2 PHE 27 HD2 PHE 27 4.028 -0.566 -3.220 210 HE1 PHE 27 HE1 PHE 27 6.894 -3.818 -0.804 211 HE2 PHE 27 HE2 PHE 27 3.581 -2.998 -3.402 212 HZ PHE 27 HZ PHE 27 5.013 -4.624 -2.205 213 H SER 28 HN SER 28 4.374 3.352 0.540 214 HA SER 28 HA SER 28 6.202 5.319 -0.297 215 1HB SER 28 HB2 SER 28 4.618 5.240 2.284 216 2HB SER 28 HB1 SER 28 5.385 6.673 1.612 217 HG SER 28 HG SER 28 2.997 5.778 1.083 218 H ALA 29 HN ALA 29 8.063 6.203 0.556 219 HA ALA 29 HA ALA 29 9.643 4.438 2.290 220 1HB ALA 29 HB1 ALA 29 10.130 6.856 0.598 221 2HB ALA 29 HB3 ALA 29 11.191 6.680 1.995 222 3HB ALA 29 HB2 ALA 29 11.116 5.409 0.777 223 H THR 30 HN THR 30 9.727 4.697 4.496 224 HA THR 30 HA THR 30 8.065 6.680 5.754 225 HB THR 30 HB THR 30 8.555 4.523 6.841 226 HG1 THR 30 HG1 THR 30 9.747 6.618 8.326 227 1HG2 THR 30 HG22 THR 30 10.893 4.310 6.002 228 2HG2 THR 30 HG21 THR 30 11.388 5.568 7.135 229 3HG2 THR 30 HG23 THR 30 10.765 4.033 7.741 230 H TRP 31 HN TRP 31 11.470 6.509 4.906 231 HA TRP 31 HA TRP 31 12.237 8.841 6.474 232 1HB TRP 31 HB2 TRP 31 14.323 8.708 5.188 233 2HB TRP 31 HB1 TRP 31 13.861 7.129 5.819 234 HD1 TRP 31 HD1 TRP 31 13.127 5.286 4.115 235 HE1 TRP 31 HE1 TRP 31 13.360 5.071 1.553 236 HE3 TRP 31 HE3 TRP 31 14.120 10.136 2.936 237 HZ2 TRP 31 HZ2 TRP 31 13.863 6.761 -0.697 238 HZ3 TRP 31 HZ3 TRP 31 14.444 10.817 0.577 239 HH2 TRP 31 HH2 TRP 31 14.315 9.138 -1.240 240 H CYS 32 HN CYS 32 10.603 8.485 3.460 241 HA CYS 32 HA CYS 32 11.566 11.084 2.431 242 1HB CYS 32 HB2 CYS 32 11.016 9.068 0.949 243 2HB CYS 32 HB1 CYS 32 9.325 9.372 1.318 244 H GLY 33 HN GLY 33 10.737 12.882 3.310 245 1HA GLY 33 HA2 GLY 33 8.423 12.974 4.961 246 2HA GLY 33 HA1 GLY 33 9.209 14.379 4.250 247 HA PRO 34 HA PRO 34 6.213 15.014 1.056 248 1HB PRO 34 HB2 PRO 34 7.563 13.338 -1.009 249 2HB PRO 34 HB1 PRO 34 7.089 15.045 -1.076 250 1HG PRO 34 HG2 PRO 34 9.685 14.217 -0.781 251 2HG PRO 34 HG1 PRO 34 9.089 15.769 -0.178 252 1HD PRO 34 HD2 PRO 34 9.870 13.354 1.339 253 2HD PRO 34 HD1 PRO 34 9.699 15.035 1.921 254 H ALA 35 HN ALA 35 7.346 11.627 1.025 255 HA ALA 35 HA ALA 35 4.755 10.605 0.132 256 1HB ALA 35 HB3 ALA 35 7.102 9.540 -0.211 257 2HB ALA 35 HB2 ALA 35 6.906 8.938 1.436 258 3HB ALA 35 HB1 ALA 35 5.754 8.476 0.184 259 H LYS 36 HN LYS 36 6.532 10.704 3.228 260 HA LYS 36 HA LYS 36 4.587 9.297 4.762 261 1HB LYS 36 HB2 LYS 36 6.897 9.922 5.541 262 2HB LYS 36 HB1 LYS 36 6.330 11.580 5.726 263 1HG LYS 36 HG2 LYS 36 4.544 10.752 7.271 264 2HG LYS 36 HG1 LYS 36 5.243 9.137 7.158 265 1HD LYS 36 HD2 LYS 36 7.419 10.079 7.978 266 2HD LYS 36 HD1 LYS 36 6.608 11.626 8.228 267 1HE LYS 36 HE2 LYS 36 5.677 9.035 9.502 268 2HE LYS 36 HE1 LYS 36 6.774 10.165 10.294 269 1HZ LYS 36 HZ1 LYS 36 4.889 11.851 9.613 270 2HZ LYS 36 HZ3 LYS 36 3.930 10.453 9.683 271 3HZ LYS 36 HZ2 LYS 36 4.804 10.952 11.052 272 H MET 37 HN MET 37 4.768 12.638 3.671 273 HA MET 37 HA MET 37 2.758 13.768 5.337 274 1HB MET 37 HB2 MET 37 4.295 15.037 3.790 275 2HB MET 37 HB1 MET 37 3.287 14.509 2.447 276 1HG MET 37 HG2 MET 37 1.308 15.536 3.587 277 2HG MET 37 HG1 MET 37 2.392 16.160 4.828 278 1HE MET 37 HE2 MET 37 4.298 17.469 4.513 279 2HE MET 37 HE1 MET 37 5.081 17.155 2.972 280 3HE MET 37 HE3 MET 37 4.480 18.775 3.347 281 H ILE 38 HN ILE 38 2.531 11.749 2.494 282 HA ILE 38 HA ILE 38 -0.312 12.222 2.069 283 HB ILE 38 HB ILE 38 1.278 9.889 0.970 284 1HG1 ILE 38 HG12 ILE 38 1.077 12.649 -0.277 285 2HG1 ILE 38 HG11 ILE 38 2.488 12.103 0.626 286 1HG2 ILE 38 HG21 ILE 38 -1.148 11.457 0.043 287 2HG2 ILE 38 HG23 ILE 38 -0.278 10.327 -0.992 288 3HG2 ILE 38 HG22 ILE 38 -1.069 9.749 0.470 289 1HD1 ILE 38 HD13 ILE 38 2.478 10.071 -0.971 290 2HD1 ILE 38 HD12 ILE 38 1.406 11.038 -1.975 291 3HD1 ILE 38 HD11 ILE 38 3.036 11.614 -1.614 292 H LYS 39 HN LYS 39 1.301 10.420 4.443 293 HA LYS 39 HA LYS 39 -0.233 8.045 4.336 294 1HB LYS 39 HB2 LYS 39 0.537 7.454 6.443 295 2HB LYS 39 HB1 LYS 39 1.827 8.422 5.769 296 1HG LYS 39 HG2 LYS 39 1.386 10.247 7.191 297 2HG LYS 39 HG1 LYS 39 -0.252 9.711 7.563 298 1HD LYS 39 HD2 LYS 39 2.264 8.250 8.400 299 2HD LYS 39 HD1 LYS 39 1.344 9.342 9.438 300 1HE LYS 39 HE2 LYS 39 0.278 7.404 10.069 301 2HE LYS 39 HE1 LYS 39 -0.650 7.661 8.594 302 1HZ LYS 39 HZ3 LYS 39 1.572 6.425 7.694 303 2HZ LYS 39 HZ2 LYS 39 1.335 5.665 9.197 304 3HZ LYS 39 HZ1 LYS 39 0.100 5.655 8.031 305 HA PRO 40 HA PRO 40 -3.379 10.218 7.373 306 1HB PRO 40 HB2 PRO 40 -3.809 12.664 5.719 307 2HB PRO 40 HB1 PRO 40 -3.753 12.493 7.487 308 1HG PRO 40 HG2 PRO 40 -1.747 13.657 6.140 309 2HG PRO 40 HG1 PRO 40 -1.427 12.631 7.551 310 1HD PRO 40 HD2 PRO 40 -1.120 11.985 4.647 311 2HD PRO 40 HD1 PRO 40 -0.078 11.496 6.002 312 H PHE 41 HN PHE 41 -3.357 10.757 3.833 313 HA PHE 41 HA PHE 41 -6.207 10.292 3.580 314 1HB PHE 41 HB2 PHE 41 -3.936 10.194 1.569 315 2HB PHE 41 HB1 PHE 41 -5.623 9.940 1.146 316 HD1 PHE 41 HD2 PHE 41 -3.330 12.407 2.771 317 HD2 PHE 41 HD1 PHE 41 -7.060 11.743 0.742 318 HE1 PHE 41 HE2 PHE 41 -3.707 14.858 2.658 319 HE2 PHE 41 HE1 PHE 41 -7.434 14.188 0.633 320 HZ PHE 41 HZ PHE 41 -5.762 15.747 1.590 321 H PHE 42 HN PHE 42 -3.331 8.335 2.851 322 HA PHE 42 HA PHE 42 -4.706 5.935 2.182 323 1HB PHE 42 HB2 PHE 42 -2.300 6.379 1.744 324 2HB PHE 42 HB1 PHE 42 -1.975 6.320 3.484 325 HD1 PHE 42 HD1 PHE 42 -3.161 4.348 0.576 326 HD2 PHE 42 HD2 PHE 42 -1.725 4.229 4.621 327 HE1 PHE 42 HE1 PHE 42 -2.948 1.890 0.430 328 HE2 PHE 42 HE2 PHE 42 -1.510 1.762 4.474 329 HZ PHE 42 HZ PHE 42 -2.124 0.588 2.373 330 H HIS 43 HN HIS 43 -3.359 7.047 5.293 331 HA HIS 43 HA HIS 43 -4.285 4.793 6.822 332 1HB HIS 43 HB2 HIS 43 -2.446 6.266 7.563 333 2HB HIS 43 HB1 HIS 43 -3.574 7.614 7.692 334 HD1 HIS 43 HD1 HIS 43 -2.429 4.546 9.459 335 HD2 HIS 43 HD2 HIS 43 -5.431 7.395 9.870 336 HE1 HIS 43 HE1 HIS 43 -3.524 4.110 11.707 337 H SER 44 HN SER 44 -5.654 8.052 6.254 338 HA SER 44 HA SER 44 -7.847 7.719 8.054 339 1HB SER 44 HB2 SER 44 -7.655 9.506 5.614 340 2HB SER 44 HB1 SER 44 -8.927 9.585 6.831 341 HG SER 44 HG SER 44 -7.602 10.590 8.108 342 H LEU 45 HN LEU 45 -7.494 6.900 4.629 343 HA LEU 45 HA LEU 45 -10.229 6.317 4.123 344 1HB LEU 45 HB2 LEU 45 -7.694 5.245 2.901 345 2HB LEU 45 HB1 LEU 45 -9.282 4.804 2.301 346 HG LEU 45 HG LEU 45 -8.463 7.705 2.609 347 1HD1 LEU 45 HD12 LEU 45 -8.083 5.908 0.190 348 2HD1 LEU 45 HD11 LEU 45 -7.857 7.657 0.202 349 3HD1 LEU 45 HD13 LEU 45 -6.797 6.623 1.158 350 1HD2 LEU 45 HD22 LEU 45 -10.600 6.211 1.074 351 2HD2 LEU 45 HD21 LEU 45 -10.805 7.502 2.252 352 3HD2 LEU 45 HD23 LEU 45 -10.149 7.860 0.659 353 H SER 46 HN SER 46 -7.829 4.504 5.901 354 HA SER 46 HA SER 46 -8.815 1.877 5.609 355 1HB SER 46 HB2 SER 46 -7.855 3.161 8.197 356 2HB SER 46 HB1 SER 46 -7.945 1.432 7.866 357 HG SER 46 HG SER 46 -6.224 1.557 6.634 358 H GLU 47 HN GLU 47 -9.999 4.572 7.557 359 HA GLU 47 HA GLU 47 -12.202 2.945 8.662 360 1HB GLU 47 HB2 GLU 47 -11.447 5.878 8.919 361 2HB GLU 47 HB1 GLU 47 -12.882 5.176 9.672 362 1HG GLU 47 HG2 GLU 47 -11.209 5.116 11.356 363 2HG GLU 47 HG1 GLU 47 -11.295 3.465 10.739 364 H LYS 48 HN LYS 48 -11.608 4.892 5.851 365 HA LYS 48 HA LYS 48 -14.401 5.688 5.507 366 1HB LYS 48 HB2 LYS 48 -12.475 6.921 4.406 367 2HB LYS 48 HB1 LYS 48 -12.276 5.519 3.350 368 1HG LYS 48 HG2 LYS 48 -14.655 5.745 2.645 369 2HG LYS 48 HG1 LYS 48 -14.783 7.199 3.630 370 1HD LYS 48 HD2 LYS 48 -13.039 8.285 2.298 371 2HD LYS 48 HD1 LYS 48 -12.845 6.820 1.334 372 1HE LYS 48 HE2 LYS 48 -15.149 6.991 0.542 373 2HE LYS 48 HE1 LYS 48 -15.418 8.407 1.562 374 1HZ LYS 48 HZ3 LYS 48 -13.330 9.273 0.274 375 2HZ LYS 48 HZ2 LYS 48 -13.851 8.158 -0.899 376 3HZ LYS 48 HZ1 LYS 48 -14.883 9.407 -0.392 377 H TYR 49 HN TYR 49 -12.240 3.151 4.443 378 HA TYR 49 HA TYR 49 -14.615 1.578 3.471 379 1HB TYR 49 HB2 TYR 49 -11.761 1.527 2.416 380 2HB TYR 49 HB1 TYR 49 -13.062 0.461 1.893 381 HD1 TYR 49 HD2 TYR 49 -15.223 1.591 1.015 382 HD2 TYR 49 HD1 TYR 49 -11.438 3.599 1.315 383 HE1 TYR 49 HE2 TYR 49 -15.989 3.275 -0.632 384 HE2 TYR 49 HE1 TYR 49 -12.207 5.286 -0.341 385 HH TYR 49 HH TYR 49 -13.803 5.760 -1.877 386 H SER 50 HN SER 50 -14.458 1.131 5.906 387 HA SER 50 HA SER 50 -12.273 -0.377 6.954 388 1HB SER 50 HB2 SER 50 -13.740 -0.857 8.804 389 2HB SER 50 HB1 SER 50 -14.058 0.790 8.292 390 HG SER 50 HG SER 50 -15.868 0.059 7.184 391 H ASN 51 HN ASN 51 -14.528 -1.153 4.589 392 HA ASN 51 HA ASN 51 -14.563 -4.050 5.176 393 1HB ASN 51 HB2 ASN 51 -16.539 -2.770 4.153 394 2HB ASN 51 HB1 ASN 51 -15.580 -2.685 2.675 395 1HD2 ASN 51 HD22 ASN 51 -16.361 -5.982 1.728 396 2HD2 ASN 51 HD21 ASN 51 -15.708 -4.474 1.292 397 H VAL 52 HN VAL 52 -12.245 -2.086 4.156 398 HA VAL 52 HA VAL 52 -11.111 -4.079 2.237 399 HB VAL 52 HB VAL 52 -10.876 -1.054 2.137 400 1HG1 VAL 52 HG11 VAL 52 -9.362 -3.253 0.725 401 2HG1 VAL 52 HG13 VAL 52 -9.544 -1.658 -0.010 402 3HG1 VAL 52 HG12 VAL 52 -8.722 -1.825 1.540 403 1HG2 VAL 52 HG23 VAL 52 -12.165 -3.143 0.371 404 2HG2 VAL 52 HG22 VAL 52 -12.918 -1.735 1.108 405 3HG2 VAL 52 HG21 VAL 52 -11.778 -1.530 -0.223 406 H ILE 53 HN ILE 53 -8.864 -4.518 2.569 407 HA ILE 53 HA ILE 53 -7.872 -3.624 5.250 408 HB ILE 53 HB ILE 53 -6.732 -5.766 3.434 409 1HG1 ILE 53 HG12 ILE 53 -9.032 -6.379 3.893 410 2HG1 ILE 53 HG11 ILE 53 -7.995 -7.359 4.924 411 1HG2 ILE 53 HG23 ILE 53 -5.442 -4.704 5.460 412 2HG2 ILE 53 HG22 ILE 53 -6.539 -5.665 6.439 413 3HG2 ILE 53 HG21 ILE 53 -5.470 -6.455 5.282 414 1HD1 ILE 53 HD12 ILE 53 -8.367 -5.417 6.668 415 2HD1 ILE 53 HD11 ILE 53 -9.782 -5.063 5.676 416 3HD1 ILE 53 HD13 ILE 53 -9.613 -6.640 6.443 417 H PHE 54 HN PHE 54 -6.419 -1.951 5.263 418 HA PHE 54 HA PHE 54 -4.818 -1.395 2.794 419 1HB PHE 54 HB2 PHE 54 -5.360 0.281 5.267 420 2HB PHE 54 HB1 PHE 54 -4.295 0.773 3.954 421 HD1 PHE 54 HD1 PHE 54 -7.813 -0.304 4.668 422 HD2 PHE 54 HD2 PHE 54 -5.173 1.856 2.051 423 HE1 PHE 54 HE1 PHE 54 -9.768 0.589 3.426 424 HE2 PHE 54 HE2 PHE 54 -7.133 2.738 0.804 425 HZ PHE 54 HZ PHE 54 -9.425 2.102 1.492 426 H LEU 55 HN LEU 55 -2.664 -1.888 2.784 427 HA LEU 55 HA LEU 55 -1.293 -2.487 5.383 428 1HB LEU 55 HB2 LEU 55 -0.759 -3.549 2.597 429 2HB LEU 55 HB1 LEU 55 0.406 -3.720 3.909 430 HG LEU 55 HG LEU 55 -1.175 -5.033 5.198 431 1HD1 LEU 55 HD12 LEU 55 -3.128 -4.151 3.093 432 2HD1 LEU 55 HD11 LEU 55 -3.380 -5.686 3.931 433 3HD1 LEU 55 HD13 LEU 55 -3.295 -4.191 4.851 434 1HD2 LEU 55 HD21 LEU 55 0.147 -6.131 3.351 435 2HD2 LEU 55 HD23 LEU 55 -1.324 -6.989 3.813 436 3HD2 LEU 55 HD22 LEU 55 -1.297 -6.020 2.340 437 H GLU 56 HN GLU 56 0.659 -1.523 5.829 438 HA GLU 56 HA GLU 56 1.593 0.608 3.929 439 1HB GLU 56 HB2 GLU 56 0.708 1.374 6.198 440 2HB GLU 56 HB1 GLU 56 2.051 0.493 6.930 441 1HG GLU 56 HG2 GLU 56 3.637 1.825 5.532 442 2HG GLU 56 HG1 GLU 56 2.270 2.756 4.920 443 H VAL 57 HN VAL 57 3.652 0.261 3.140 444 HA VAL 57 HA VAL 57 5.374 -1.762 4.552 445 HB VAL 57 HB VAL 57 5.065 -1.372 1.565 446 1HG1 VAL 57 HG11 VAL 57 6.586 -3.389 3.242 447 2HG1 VAL 57 HG13 VAL 57 6.360 -3.514 1.499 448 3HG1 VAL 57 HG12 VAL 57 7.284 -2.173 2.174 449 1HG2 VAL 57 HG23 VAL 57 3.970 -3.444 3.480 450 2HG2 VAL 57 HG22 VAL 57 3.050 -2.337 2.475 451 3HG2 VAL 57 HG21 VAL 57 3.976 -3.641 1.729 452 H ASP 58 HN ASP 58 7.420 -1.102 4.944 453 HA ASP 58 HA ASP 58 8.300 1.544 3.917 454 1HB ASP 58 HB2 ASP 58 8.464 0.857 6.370 455 2HB ASP 58 HB1 ASP 58 9.710 -0.295 5.855 456 H VAL 59 HN VAL 59 9.555 1.535 2.060 457 HA VAL 59 HA VAL 59 10.658 -0.927 0.996 458 HB VAL 59 HB VAL 59 11.832 0.541 -0.604 459 1HG1 VAL 59 HG13 VAL 59 8.976 1.326 0.034 460 2HG1 VAL 59 HG12 VAL 59 9.798 1.756 -1.465 461 3HG1 VAL 59 HG11 VAL 59 9.504 0.063 -1.074 462 1HG2 VAL 59 HG23 VAL 59 10.935 2.701 1.310 463 2HG2 VAL 59 HG22 VAL 59 12.570 2.340 0.772 464 3HG2 VAL 59 HG21 VAL 59 11.412 3.050 -0.350 465 H ASP 60 HN ASP 60 11.655 1.318 3.407 466 HA ASP 60 HA ASP 60 14.511 0.579 3.172 467 1HB ASP 60 HB2 ASP 60 12.930 2.513 4.851 468 2HB ASP 60 HB1 ASP 60 14.595 2.129 5.251 469 H ASP 61 HN ASP 61 11.864 0.149 5.590 470 HA ASP 61 HA ASP 61 13.676 -1.659 7.133 471 1HB ASP 61 HB2 ASP 61 10.856 -0.689 7.753 472 2HB ASP 61 HB1 ASP 61 11.831 -1.716 8.798 473 H ALA 62 HN ALA 62 11.275 -1.739 4.749 474 HA ALA 62 HA ALA 62 10.918 -4.690 5.101 475 1HB ALA 62 HB1 ALA 62 8.908 -2.914 5.385 476 2HB ALA 62 HB3 ALA 62 8.852 -3.097 3.635 477 3HB ALA 62 HB2 ALA 62 8.649 -4.506 4.674 478 H GLN 63 HN GLN 63 13.011 -3.371 3.689 479 HA GLN 63 HA GLN 63 12.566 -2.987 0.922 480 1HB GLN 63 HB2 GLN 63 14.953 -3.191 0.658 481 2HB GLN 63 HB1 GLN 63 14.657 -2.398 2.204 482 1HG GLN 63 HG2 GLN 63 14.864 -4.659 3.307 483 2HG GLN 63 HG1 GLN 63 15.384 -5.306 1.750 484 1HE2 GLN 63 HE22 GLN 63 18.310 -2.948 1.847 485 2HE2 GLN 63 HE21 GLN 63 16.961 -3.114 0.831 486 H ASP 64 HN ASP 64 12.582 -5.934 2.731 487 HA ASP 64 HA ASP 64 13.384 -7.696 0.612 488 1HB ASP 64 HB2 ASP 64 12.026 -9.408 1.957 489 2HB ASP 64 HB1 ASP 64 13.352 -8.616 2.820 490 H VAL 65 HN VAL 65 10.234 -6.446 1.691 491 HA VAL 65 HA VAL 65 8.671 -7.892 -0.248 492 HB VAL 65 HB VAL 65 7.934 -5.184 0.910 493 1HG1 VAL 65 HG11 VAL 65 6.507 -6.428 -0.811 494 2HG1 VAL 65 HG13 VAL 65 6.225 -7.636 0.444 495 3HG1 VAL 65 HG12 VAL 65 5.699 -5.968 0.688 496 1HG2 VAL 65 HG23 VAL 65 8.165 -7.846 2.289 497 2HG2 VAL 65 HG22 VAL 65 8.595 -6.247 2.885 498 3HG2 VAL 65 HG21 VAL 65 6.902 -6.724 2.783 499 H ALA 66 HN ALA 66 9.997 -4.580 -0.184 500 HA ALA 66 HA ALA 66 8.907 -3.857 -2.741 501 1HB ALA 66 HB2 ALA 66 9.923 -2.394 -0.748 502 2HB ALA 66 HB1 ALA 66 11.380 -2.503 -1.738 503 3HB ALA 66 HB3 ALA 66 9.903 -1.806 -2.409 504 H SER 67 HN SER 67 12.065 -5.165 -1.751 505 HA SER 67 HA SER 67 13.320 -4.844 -4.297 506 1HB SER 67 HB2 SER 67 14.914 -6.535 -3.534 507 2HB SER 67 HB1 SER 67 14.552 -5.421 -2.218 508 HG SER 67 HG SER 67 14.438 -7.587 -1.527 509 H GLU 68 HN GLU 68 11.152 -7.288 -3.017 510 HA GLU 68 HA GLU 68 11.503 -9.241 -5.081 511 1HB GLU 68 HB2 GLU 68 10.323 -9.662 -2.922 512 2HB GLU 68 HB1 GLU 68 9.006 -8.624 -3.464 513 1HG GLU 68 HG2 GLU 68 8.729 -10.144 -5.457 514 2HG GLU 68 HG1 GLU 68 9.918 -11.221 -4.732 515 H ALA 69 HN ALA 69 9.355 -6.419 -4.788 516 HA ALA 69 HA ALA 69 8.126 -6.970 -7.409 517 1HB ALA 69 HB2 ALA 69 6.772 -6.016 -5.578 518 2HB ALA 69 HB1 ALA 69 7.830 -4.604 -5.537 519 3HB ALA 69 HB3 ALA 69 6.835 -4.919 -6.960 520 H GLU 70 HN GLU 70 11.045 -5.736 -6.552 521 HA GLU 70 HA GLU 70 12.572 -4.286 -7.595 522 1HB GLU 70 HB2 GLU 70 10.787 -4.786 -10.000 523 2HB GLU 70 HB1 GLU 70 12.426 -4.140 -10.042 524 1HG GLU 70 HG2 GLU 70 11.693 -6.845 -8.916 525 2HG GLU 70 HG1 GLU 70 12.319 -6.579 -10.540 526 H VAL 71 HN VAL 71 10.771 -2.861 -6.118 527 HA VAL 71 HA VAL 71 9.200 -1.005 -7.627 528 HB VAL 71 HB VAL 71 10.543 -0.502 -4.949 529 1HG1 VAL 71 HG13 VAL 71 8.161 0.690 -6.400 530 2HG1 VAL 71 HG12 VAL 71 8.481 0.971 -4.692 531 3HG1 VAL 71 HG11 VAL 71 9.638 1.514 -5.909 532 1HG2 VAL 71 HG23 VAL 71 7.923 -1.877 -5.668 533 2HG2 VAL 71 HG22 VAL 71 9.278 -2.567 -4.777 534 3HG2 VAL 71 HG21 VAL 71 8.298 -1.297 -4.045 535 H LYS 72 HN LYS 72 9.823 0.758 -8.779 536 HA LYS 72 HA LYS 72 12.712 1.459 -8.757 537 1HB LYS 72 HB2 LYS 72 10.558 2.012 -10.801 538 2HB LYS 72 HB1 LYS 72 12.257 2.446 -10.975 539 1HG LYS 72 HG2 LYS 72 11.453 -0.426 -10.425 540 2HG LYS 72 HG1 LYS 72 11.442 0.212 -12.068 541 1HD LYS 72 HD2 LYS 72 13.844 0.930 -11.716 542 2HD LYS 72 HD1 LYS 72 13.816 0.050 -10.188 543 1HE LYS 72 HE2 LYS 72 13.204 -2.020 -11.414 544 2HE LYS 72 HE1 LYS 72 13.314 -1.131 -12.933 545 1HZ LYS 72 HZ2 LYS 72 15.644 -0.539 -11.686 546 2HZ LYS 72 HZ1 LYS 72 15.407 -2.170 -11.277 547 3HZ LYS 72 HZ3 LYS 72 15.449 -1.705 -12.908 548 H ALA 73 HN ALA 73 9.717 2.679 -7.650 549 HA ALA 73 HA ALA 73 11.032 5.146 -6.838 550 1HB ALA 73 HB3 ALA 73 10.276 5.463 -9.283 551 2HB ALA 73 HB2 ALA 73 8.641 5.523 -8.622 552 3HB ALA 73 HB1 ALA 73 9.845 6.715 -8.116 553 H THR 74 HN THR 74 9.778 6.394 -5.352 554 HA THR 74 HA THR 74 7.305 5.055 -4.315 555 HB THR 74 HB THR 74 8.056 5.540 -2.050 556 HG1 THR 74 HG1 THR 74 10.190 6.559 -1.881 557 1HG2 THR 74 HG22 THR 74 9.191 3.613 -3.437 558 2HG2 THR 74 HG21 THR 74 10.616 4.646 -3.300 559 3HG2 THR 74 HG23 THR 74 9.822 4.050 -1.844 560 HA PRO 75 HA PRO 75 5.913 5.680 -2.560 561 1HB PRO 75 HB2 PRO 75 3.328 6.673 -2.536 562 2HB PRO 75 HB1 PRO 75 4.583 7.109 -1.366 563 1HG PRO 75 HG2 PRO 75 3.478 8.714 -3.601 564 2HG PRO 75 HG1 PRO 75 4.278 9.249 -2.116 565 1HD PRO 75 HD2 PRO 75 5.441 9.140 -4.718 566 2HD PRO 75 HD1 PRO 75 6.299 9.444 -3.182 567 H THR 76 HN THR 76 4.901 3.816 -3.233 568 HA THR 76 HA THR 76 3.483 3.853 -5.869 569 HB THR 76 HB THR 76 5.418 1.715 -4.942 570 HG1 THR 76 HG1 THR 76 5.701 4.042 -6.319 571 1HG2 THR 76 HG23 THR 76 3.728 2.089 -7.418 572 2HG2 THR 76 HG22 THR 76 5.103 0.990 -7.367 573 3HG2 THR 76 HG21 THR 76 3.719 0.719 -6.309 574 H PHE 77 HN PHE 77 1.571 2.878 -5.803 575 HA PHE 77 HA PHE 77 0.849 1.311 -3.357 576 1HB PHE 77 HB2 PHE 77 -0.930 2.749 -5.358 577 2HB PHE 77 HB1 PHE 77 -1.468 1.935 -3.883 578 HD1 PHE 77 HD1 PHE 77 -0.888 2.834 -1.652 579 HD2 PHE 77 HD2 PHE 77 0.236 4.871 -5.263 580 HE1 PHE 77 HE1 PHE 77 -0.374 4.874 -0.339 581 HE2 PHE 77 HE2 PHE 77 0.749 6.920 -3.951 582 HZ PHE 77 HZ PHE 77 0.444 6.916 -1.490 583 H GLN 78 HN GLN 78 0.299 -0.810 -3.599 584 HA GLN 78 HA GLN 78 -0.167 -1.866 -6.376 585 1HB GLN 78 HB2 GLN 78 1.334 -3.131 -4.064 586 2HB GLN 78 HB1 GLN 78 0.829 -4.019 -5.502 587 1HG GLN 78 HG2 GLN 78 2.084 -2.297 -6.879 588 2HG GLN 78 HG1 GLN 78 2.751 -1.681 -5.363 589 1HE2 GLN 78 HE22 GLN 78 5.351 -4.053 -5.986 590 2HE2 GLN 78 HE21 GLN 78 4.939 -2.411 -6.063 591 H PHE 79 HN PHE 79 -1.873 -3.231 -6.594 592 HA PHE 79 HA PHE 79 -3.630 -3.562 -4.185 593 1HB PHE 79 HB2 PHE 79 -4.246 -3.535 -7.148 594 2HB PHE 79 HB1 PHE 79 -5.434 -3.850 -5.879 595 HD1 PHE 79 HD2 PHE 79 -2.966 -1.341 -7.115 596 HD2 PHE 79 HD1 PHE 79 -6.401 -2.076 -4.648 597 HE1 PHE 79 HE2 PHE 79 -3.216 1.098 -6.742 598 HE2 PHE 79 HE1 PHE 79 -6.649 0.359 -4.269 599 HZ PHE 79 HZ PHE 79 -5.066 1.946 -5.317 600 H PHE 80 HN PHE 80 -4.121 -5.563 -3.499 601 HA PHE 80 HA PHE 80 -3.391 -7.892 -5.216 602 1HB PHE 80 HB2 PHE 80 -2.944 -7.440 -2.271 603 2HB PHE 80 HB1 PHE 80 -2.898 -9.050 -2.997 604 HD1 PHE 80 HD1 PHE 80 -1.167 -9.649 -4.629 605 HD2 PHE 80 HD2 PHE 80 -1.184 -5.777 -2.747 606 HE1 PHE 80 HE1 PHE 80 1.173 -9.284 -5.349 607 HE2 PHE 80 HE2 PHE 80 1.158 -5.424 -3.471 608 HZ PHE 80 HZ PHE 80 2.338 -7.174 -4.770 609 H LYS 81 HN LYS 81 -4.779 -9.671 -5.138 610 HA LYS 81 HA LYS 81 -7.197 -9.482 -3.428 611 1HB LYS 81 HB2 LYS 81 -7.658 -8.302 -5.610 612 2HB LYS 81 HB1 LYS 81 -7.331 -9.817 -6.446 613 1HG LYS 81 HG2 LYS 81 -9.736 -9.543 -6.142 614 2HG LYS 81 HG1 LYS 81 -9.164 -10.887 -5.162 615 1HD LYS 81 HD2 LYS 81 -9.488 -9.762 -3.155 616 2HD LYS 81 HD1 LYS 81 -9.239 -8.179 -3.880 617 1HE LYS 81 HE2 LYS 81 -11.581 -8.396 -3.284 618 2HE LYS 81 HE1 LYS 81 -11.447 -8.411 -5.040 619 1HZ LYS 81 HZ2 LYS 81 -11.286 -11.005 -3.751 620 2HZ LYS 81 HZ1 LYS 81 -12.791 -10.232 -3.628 621 3HZ LYS 81 HZ3 LYS 81 -12.121 -10.536 -5.156 622 H LYS 82 HN LYS 82 -7.615 -11.491 -2.636 623 HA LYS 82 HA LYS 82 -7.281 -13.787 -2.230 624 1HB LYS 82 HB2 LYS 82 -7.474 -13.847 -5.273 625 2HB LYS 82 HB1 LYS 82 -7.540 -15.264 -4.225 626 1HG LYS 82 HG2 LYS 82 -9.502 -14.141 -3.038 627 2HG LYS 82 HG1 LYS 82 -9.528 -12.996 -4.373 628 1HD LYS 82 HD2 LYS 82 -9.684 -14.942 -5.956 629 2HD LYS 82 HD1 LYS 82 -9.876 -15.993 -4.552 630 1HE LYS 82 HE2 LYS 82 -11.882 -14.771 -3.870 631 2HE LYS 82 HE1 LYS 82 -11.674 -13.648 -5.212 632 1HZ LYS 82 HZ1 LYS 82 -11.607 -16.127 -6.365 633 2HZ LYS 82 HZ3 LYS 82 -12.834 -16.252 -5.200 634 3HZ LYS 82 HZ2 LYS 82 -12.913 -15.040 -6.389 635 H GLY 83 HN GLY 83 -4.922 -12.176 -2.369 636 1HA GLY 83 HA2 GLY 83 -2.612 -12.558 -2.335 637 2HA GLY 83 HA1 GLY 83 -2.951 -14.251 -2.691 638 H GLN 84 HN GLN 84 -4.215 -11.782 -4.827 639 HA GLN 84 HA GLN 84 -2.076 -12.420 -6.815 640 1HB GLN 84 HB2 GLN 84 -5.069 -12.302 -7.282 641 2HB GLN 84 HB1 GLN 84 -3.889 -12.303 -8.582 642 1HG GLN 84 HG2 GLN 84 -3.983 -14.461 -6.461 643 2HG GLN 84 HG1 GLN 84 -4.859 -14.580 -7.987 644 1HE2 GLN 84 HE22 GLN 84 -1.124 -14.026 -9.196 645 2HE2 GLN 84 HE21 GLN 84 -2.175 -12.788 -8.696 646 H LYS 85 HN LYS 85 -1.242 -10.663 -7.905 647 HA LYS 85 HA LYS 85 -2.120 -7.988 -7.070 648 1HB LYS 85 HB2 LYS 85 0.281 -8.609 -7.458 649 2HB LYS 85 HB1 LYS 85 -0.079 -8.732 -9.182 650 1HG LYS 85 HG2 LYS 85 -0.957 -6.344 -9.039 651 2HG LYS 85 HG1 LYS 85 -0.269 -6.273 -7.423 652 1HD LYS 85 HD2 LYS 85 1.295 -6.942 -9.928 653 2HD LYS 85 HD1 LYS 85 1.254 -5.353 -9.173 654 1HE LYS 85 HE2 LYS 85 3.202 -6.301 -8.271 655 2HE LYS 85 HE1 LYS 85 2.006 -6.626 -7.018 656 1HZ LYS 85 HZ2 LYS 85 2.020 -8.670 -8.994 657 2HZ LYS 85 HZ1 LYS 85 3.570 -8.469 -8.323 658 3HZ LYS 85 HZ3 LYS 85 2.245 -8.796 -7.314 659 H VAL 86 HN VAL 86 -3.588 -6.766 -8.119 660 HA VAL 86 HA VAL 86 -4.267 -7.449 -10.958 661 HB VAL 86 HB VAL 86 -6.603 -6.748 -10.419 662 1HG1 VAL 86 HG13 VAL 86 -5.774 -9.155 -10.328 663 2HG1 VAL 86 HG12 VAL 86 -5.648 -8.958 -8.581 664 3HG1 VAL 86 HG11 VAL 86 -7.216 -8.819 -9.371 665 1HG2 VAL 86 HG22 VAL 86 -5.543 -6.766 -7.573 666 2HG2 VAL 86 HG21 VAL 86 -6.064 -5.338 -8.465 667 3HG2 VAL 86 HG23 VAL 86 -7.236 -6.585 -8.037 668 H GLY 87 HN GLY 87 -2.765 -5.121 -9.191 669 1HA GLY 87 HA2 GLY 87 -3.045 -3.159 -11.257 670 2HA GLY 87 HA1 GLY 87 -4.117 -2.726 -9.931 671 H GLU 88 HN GLU 88 -1.825 -1.251 -10.874 672 HA GLU 88 HA GLU 88 -0.558 -0.712 -8.323 673 1HB GLU 88 HB2 GLU 88 0.880 -2.564 -8.871 674 2HB GLU 88 HB1 GLU 88 1.067 -2.008 -10.529 675 1HG GLU 88 HG2 GLU 88 1.978 -0.326 -8.178 676 2HG GLU 88 HG1 GLU 88 3.017 -1.554 -8.893 677 H PHE 89 HN PHE 89 0.550 1.285 -8.351 678 HA PHE 89 HA PHE 89 1.082 2.636 -10.859 679 1HB PHE 89 HB2 PHE 89 -0.557 4.362 -10.823 680 2HB PHE 89 HB1 PHE 89 -1.439 2.852 -10.619 681 HD1 PHE 89 HD1 PHE 89 0.007 5.724 -8.775 682 HD2 PHE 89 HD2 PHE 89 -2.795 2.478 -8.684 683 HE1 PHE 89 HE1 PHE 89 -0.968 6.635 -6.683 684 HE2 PHE 89 HE2 PHE 89 -3.770 3.382 -6.589 685 HZ PHE 89 HZ PHE 89 -2.863 5.465 -5.593 686 H SER 90 HN SER 90 2.001 4.815 -10.496 687 HA SER 90 HA SER 90 3.067 5.190 -7.713 688 1HB SER 90 HB2 SER 90 5.160 5.992 -8.738 689 2HB SER 90 HB1 SER 90 4.837 4.315 -9.199 690 HG SER 90 HG SER 90 3.649 5.555 -11.029 691 H GLY 91 HN GLY 91 3.679 7.394 -7.229 692 1HA GLY 91 HA2 GLY 91 3.680 9.768 -8.098 693 2HA GLY 91 HA1 GLY 91 2.110 9.416 -8.806 694 H ALA 92 HN ALA 92 3.007 11.332 -6.610 695 HA ALA 92 HA ALA 92 1.726 10.313 -4.195 696 1HB ALA 92 HB2 ALA 92 2.739 13.046 -5.029 697 2HB ALA 92 HB1 ALA 92 2.035 12.723 -3.443 698 3HB ALA 92 HB3 ALA 92 3.516 11.903 -3.937 699 H ASN 93 HN ASN 93 -0.307 9.816 -5.693 700 HA ASN 93 HA ASN 93 -2.140 12.197 -5.573 701 1HB ASN 93 HB2 ASN 93 -1.666 11.358 -7.896 702 2HB ASN 93 HB1 ASN 93 -2.424 9.837 -7.430 703 1HD2 ASN 93 HD22 ASN 93 -4.741 13.058 -8.235 704 2HD2 ASN 93 HD21 ASN 93 -3.052 13.107 -8.388 705 H LYS 94 HN LYS 94 -3.064 11.815 -3.590 706 HA LYS 94 HA LYS 94 -3.789 9.224 -2.583 707 1HB LYS 94 HB2 LYS 94 -5.157 10.578 -0.968 708 2HB LYS 94 HB1 LYS 94 -3.451 10.999 -1.031 709 1HG LYS 94 HG2 LYS 94 -5.104 12.530 -2.958 710 2HG LYS 94 HG1 LYS 94 -5.584 12.799 -1.291 711 1HD LYS 94 HD2 LYS 94 -3.082 13.230 -0.815 712 2HD LYS 94 HD1 LYS 94 -2.887 13.306 -2.573 713 1HE LYS 94 HE2 LYS 94 -4.645 15.063 -2.653 714 2HE LYS 94 HE1 LYS 94 -4.764 15.002 -0.891 715 1HZ LYS 94 HZ2 LYS 94 -2.067 15.320 -1.800 716 2HZ LYS 94 HZ1 LYS 94 -3.070 16.579 -2.339 717 3HZ LYS 94 HZ3 LYS 94 -2.950 16.248 -0.682 718 H GLU 95 HN GLU 95 -5.621 11.635 -4.482 719 HA GLU 95 HA GLU 95 -8.193 10.423 -4.064 720 1HB GLU 95 HB2 GLU 95 -7.197 12.034 -6.431 721 2HB GLU 95 HB1 GLU 95 -8.883 11.693 -6.055 722 1HG GLU 95 HG2 GLU 95 -7.010 13.128 -4.164 723 2HG GLU 95 HG1 GLU 95 -8.100 13.954 -5.273 724 H LYS 96 HN LYS 96 -5.518 9.682 -6.151 725 HA LYS 96 HA LYS 96 -6.835 8.096 -8.124 726 1HB LYS 96 HB2 LYS 96 -4.426 8.888 -8.088 727 2HB LYS 96 HB1 LYS 96 -4.091 7.612 -6.933 728 1HG LYS 96 HG2 LYS 96 -4.495 5.910 -8.507 729 2HG LYS 96 HG1 LYS 96 -5.381 6.983 -9.591 730 1HD LYS 96 HD2 LYS 96 -2.494 7.631 -8.970 731 2HD LYS 96 HD1 LYS 96 -2.840 6.320 -10.109 732 1HE LYS 96 HE2 LYS 96 -4.234 7.879 -11.448 733 2HE LYS 96 HE1 LYS 96 -3.835 9.179 -10.327 734 1HZ LYS 96 HZ3 LYS 96 -1.776 7.607 -11.777 735 2HZ LYS 96 HZ2 LYS 96 -2.425 9.060 -12.371 736 3HZ LYS 96 HZ1 LYS 96 -1.563 9.050 -10.914 737 H LEU 97 HN LEU 97 -5.612 7.402 -4.893 738 HA LEU 97 HA LEU 97 -5.931 4.582 -4.873 739 1HB LEU 97 HB2 LEU 97 -6.202 6.684 -2.712 740 2HB LEU 97 HB1 LEU 97 -6.379 4.975 -2.357 741 HG LEU 97 HG LEU 97 -3.948 6.168 -3.698 742 1HD1 LEU 97 HD11 LEU 97 -4.551 5.651 -0.785 743 2HD1 LEU 97 HD13 LEU 97 -2.905 5.794 -1.394 744 3HD1 LEU 97 HD12 LEU 97 -4.018 7.154 -1.530 745 1HD2 LEU 97 HD23 LEU 97 -4.729 3.431 -2.685 746 2HD2 LEU 97 HD22 LEU 97 -3.862 3.872 -4.160 747 3HD2 LEU 97 HD21 LEU 97 -3.039 3.918 -2.610 748 H GLU 98 HN GLU 98 -8.154 7.211 -4.262 749 HA GLU 98 HA GLU 98 -10.359 5.663 -3.334 750 1HB GLU 98 HB2 GLU 98 -10.194 8.125 -3.146 751 2HB GLU 98 HB1 GLU 98 -10.414 8.265 -4.886 752 1HG GLU 98 HG2 GLU 98 -12.424 6.824 -3.154 753 2HG GLU 98 HG1 GLU 98 -12.501 8.566 -3.399 754 H ALA 99 HN ALA 99 -9.505 6.657 -6.649 755 HA ALA 99 HA ALA 99 -11.884 5.530 -7.797 756 1HB ALA 99 HB3 ALA 99 -9.209 6.225 -9.029 757 2HB ALA 99 HB2 ALA 99 -10.621 5.719 -9.965 758 3HB ALA 99 HB1 ALA 99 -10.674 7.212 -9.025 759 H THR 100 HN THR 100 -8.574 4.196 -7.506 760 HA THR 100 HA THR 100 -9.153 1.812 -8.976 761 HB THR 100 HB THR 100 -7.120 2.067 -6.744 762 HG1 THR 100 HG1 THR 100 -6.192 3.468 -7.986 763 1HG2 THR 100 HG23 THR 100 -7.273 0.383 -9.261 764 2HG2 THR 100 HG22 THR 100 -5.910 0.413 -8.149 765 3HG2 THR 100 HG21 THR 100 -7.478 -0.194 -7.611 766 H ILE 101 HN ILE 101 -9.439 2.571 -5.520 767 HA ILE 101 HA ILE 101 -10.067 -0.085 -4.610 768 HB ILE 101 HB ILE 101 -10.871 2.659 -3.576 769 1HG1 ILE 101 HG12 ILE 101 -8.984 0.685 -2.273 770 2HG1 ILE 101 HG11 ILE 101 -8.408 1.768 -3.539 771 1HG2 ILE 101 HG23 ILE 101 -11.400 -0.100 -2.450 772 2HG2 ILE 101 HG22 ILE 101 -11.373 1.336 -1.431 773 3HG2 ILE 101 HG21 ILE 101 -12.558 1.199 -2.734 774 1HD1 ILE 101 HD13 ILE 101 -9.312 3.704 -2.213 775 2HD1 ILE 101 HD12 ILE 101 -9.712 2.571 -0.921 776 3HD1 ILE 101 HD11 ILE 101 -8.031 2.825 -1.379 777 H ASN 102 HN ASN 102 -12.139 2.634 -5.577 778 HA ASN 102 HA ASN 102 -14.619 1.265 -5.345 779 1HB ASN 102 HB2 ASN 102 -14.341 3.740 -5.597 780 2HB ASN 102 HB1 ASN 102 -13.879 3.485 -7.281 781 1HD2 ASN 102 HD22 ASN 102 -17.755 3.663 -6.364 782 2HD2 ASN 102 HD21 ASN 102 -16.508 4.184 -5.336 783 H GLU 103 HN GLU 103 -12.235 1.473 -7.904 784 HA GLU 103 HA GLU 103 -13.797 0.216 -9.955 785 1HB GLU 103 HB2 GLU 103 -11.656 1.584 -10.213 786 2HB GLU 103 HB1 GLU 103 -10.786 0.157 -9.664 787 1HG GLU 103 HG2 GLU 103 -12.701 0.067 -12.009 788 2HG GLU 103 HG1 GLU 103 -10.986 0.415 -12.199 789 H LEU 104 HN LEU 104 -11.548 -1.060 -7.501 790 HA LEU 104 HA LEU 104 -12.049 -3.825 -8.475 791 1HB LEU 104 HB2 LEU 104 -10.136 -2.753 -6.389 792 2HB LEU 104 HB1 LEU 104 -10.237 -4.436 -6.897 793 HG LEU 104 HG LEU 104 -9.609 -2.127 -8.766 794 1HD1 LEU 104 HD13 LEU 104 -7.782 -4.132 -7.413 795 2HD1 LEU 104 HD12 LEU 104 -7.279 -2.973 -8.641 796 3HD1 LEU 104 HD11 LEU 104 -7.854 -2.407 -7.071 797 1HD2 LEU 104 HD21 LEU 104 -9.681 -5.145 -9.048 798 2HD2 LEU 104 HD23 LEU 104 -10.421 -3.933 -10.093 799 3HD2 LEU 104 HD22 LEU 104 -8.676 -4.162 -10.112 800 H VAL 105 HN VAL 105 -13.384 -1.735 -6.132 801 HA VAL 105 HA VAL 105 -13.701 -3.572 -3.946 802 HB VAL 105 HB VAL 105 -14.197 -1.060 -3.894 803 1HG1 VAL 105 HG12 VAL 105 -15.767 -1.320 -5.958 804 2HG1 VAL 105 HG11 VAL 105 -16.967 -1.841 -4.786 805 3HG1 VAL 105 HG13 VAL 105 -16.261 -0.233 -4.666 806 1HG2 VAL 105 HG23 VAL 105 -16.223 -3.028 -2.794 807 2HG2 VAL 105 HG22 VAL 105 -14.724 -2.522 -2.017 808 3HG2 VAL 105 HG21 VAL 105 -16.037 -1.366 -2.234 809 HA PRO 59 HA PRO 106 14.592 15.815 -13.638 810 1HB PRO 59 HB2 PRO 106 17.043 15.806 -11.903 811 2HB PRO 59 HB1 PRO 106 16.810 15.133 -13.531 812 1HG PRO 59 HG2 PRO 106 18.159 17.395 -13.172 813 2HG PRO 59 HG1 PRO 106 17.076 17.187 -14.561 814 1HD PRO 59 HD2 PRO 106 16.644 18.787 -12.063 815 2HD PRO 59 HD1 PRO 106 16.098 19.118 -13.725 816 H ALA 60 HN ALA 107 15.001 17.043 -10.351 817 HA ALA 60 HA ALA 107 14.085 14.465 -9.189 818 1HB ALA 60 HB1 ALA 107 15.033 17.058 -7.927 819 2HB ALA 60 HB3 ALA 107 14.542 15.629 -7.016 820 3HB ALA 60 HB2 ALA 107 15.956 15.563 -8.070 821 H THR 61 HN THR 108 11.939 14.185 -8.760 822 HA THR 61 HA THR 108 10.157 16.601 -8.736 823 HB THR 61 HB THR 108 9.343 13.701 -9.073 824 HG1 THR 61 HG1 THR 108 10.263 13.904 -10.944 825 1HG2 THR 61 HG21 THR 108 7.587 15.300 -8.386 826 2HG2 THR 61 HG23 THR 108 7.979 16.316 -9.768 827 3HG2 THR 61 HG22 THR 108 7.308 14.706 -10.019 828 H LEU 62 HN LEU 109 9.181 17.119 -6.835 829 HA LEU 62 HA LEU 109 9.772 15.698 -4.402 830 1HB LEU 62 HB2 LEU 109 7.762 17.856 -5.069 831 2HB LEU 62 HB1 LEU 109 8.015 17.254 -3.433 832 HG LEU 62 HG LEU 109 10.292 18.297 -5.132 833 1HD1 LEU 62 HD13 LEU 109 8.452 19.833 -3.286 834 2HD1 LEU 62 HD12 LEU 109 10.012 20.441 -3.838 835 3HD1 LEU 62 HD11 LEU 109 8.728 20.122 -5.004 836 1HD2 LEU 62 HD23 LEU 109 9.888 17.696 -2.192 837 2HD2 LEU 62 HD22 LEU 109 11.170 17.134 -3.265 838 3HD2 LEU 62 HD21 LEU 109 11.149 18.808 -2.724 839 H LYS 63 HN LYS 110 7.148 15.590 -6.705 840 HA LYS 63 HA LYS 110 5.233 14.235 -5.070 841 1HB LYS 63 HB2 LYS 110 5.640 14.047 -8.072 842 2HB LYS 63 HB1 LYS 110 4.192 13.568 -7.204 843 1HG LYS 63 HG2 LYS 110 5.314 16.383 -7.327 844 2HG LYS 63 HG1 LYS 110 3.920 15.798 -8.224 845 1HD LYS 63 HD2 LYS 110 2.915 15.201 -5.921 846 2HD LYS 63 HD1 LYS 110 4.178 16.230 -5.243 847 1HE LYS 63 HE2 LYS 110 3.400 18.047 -6.837 848 2HE LYS 63 HE1 LYS 110 2.004 17.032 -7.185 849 1HZ LYS 63 HZ3 LYS 110 2.769 17.877 -4.450 850 2HZ LYS 63 HZ2 LYS 110 1.648 18.711 -5.407 851 3HZ LYS 63 HZ1 LYS 110 1.333 17.114 -4.923 852 H ILE 64 HN ILE 111 8.174 13.214 -6.534 853 HA ILE 64 HA ILE 111 7.604 10.362 -5.763 854 HB ILE 64 HB ILE 111 9.065 11.413 -8.213 855 1HG1 ILE 64 HG12 ILE 111 6.621 11.306 -8.441 856 2HG1 ILE 64 HG11 ILE 111 7.387 10.080 -9.442 857 1HG2 ILE 64 HG21 ILE 111 8.977 8.654 -6.990 858 2HG2 ILE 64 HG23 ILE 111 9.295 8.896 -8.710 859 3HG2 ILE 64 HG22 ILE 111 10.389 9.583 -7.505 860 1HD1 ILE 64 HD13 ILE 111 7.014 8.597 -7.218 861 2HD1 ILE 64 HD12 ILE 111 5.709 9.754 -6.998 862 3HD1 ILE 64 HD11 ILE 111 5.770 8.765 -8.455 863 H CYS 65 HN CYS 112 9.328 9.363 -4.610 864 HA CYS 65 HA CYS 112 11.672 11.116 -3.988 865 1HB CYS 65 HB2 CYS 112 11.138 8.490 -2.584 866 2HB CYS 65 HB1 CYS 112 11.999 9.902 -1.997 867 H SER 66 HN SER 113 13.660 10.541 -4.899 868 HA SER 66 HA SER 113 13.702 8.258 -6.736 869 1HB SER 66 HB2 SER 113 15.850 10.257 -5.971 870 2HB SER 66 HB1 SER 113 15.994 9.072 -7.265 871 HG SER 66 HG SER 113 14.331 10.072 -8.340 872 H TRP 67 HN TRP 114 14.774 6.305 -6.460 873 HA TRP 67 HA TRP 114 15.538 5.481 -3.786 874 1HB TRP 67 HB2 TRP 114 15.758 4.120 -6.481 875 2HB TRP 67 HB1 TRP 114 16.273 3.357 -4.975 876 HD1 TRP 67 HD1 TRP 114 13.129 5.367 -5.997 877 HE1 TRP 67 HE1 TRP 114 11.060 4.078 -5.165 878 HE3 TRP 67 HE3 TRP 114 15.394 1.348 -3.862 879 HZ2 TRP 67 HZ2 TRP 114 10.471 1.675 -3.749 880 HZ3 TRP 67 HZ3 TRP 114 14.073 -0.426 -2.777 881 HH2 TRP 67 HH2 TRP 114 11.605 -0.276 -2.733 882 H ASN 68 HN ASN 115 17.139 7.172 -6.208 883 HA ASN 68 HA ASN 115 19.773 6.185 -6.170 884 1HB ASN 68 HB2 ASN 115 18.736 9.037 -6.306 885 2HB ASN 68 HB1 ASN 115 20.436 8.614 -6.546 886 1HD2 ASN 68 HD22 ASN 115 18.449 6.430 -9.260 887 2HD2 ASN 68 HD21 ASN 115 18.471 6.062 -7.605 888 H VAL 69 HN VAL 116 17.933 7.402 -3.581 889 HA VAL 69 HA VAL 116 19.899 8.662 -1.967 890 HB VAL 69 HB VAL 116 18.453 7.791 -0.041 891 1HG1 VAL 69 HG12 VAL 116 18.091 9.956 -1.369 892 2HG1 VAL 69 HG11 VAL 116 16.873 9.072 -2.288 893 3HG1 VAL 69 HG13 VAL 116 16.673 9.308 -0.554 894 1HG2 VAL 69 HG22 VAL 116 17.766 5.734 -1.456 895 2HG2 VAL 69 HG21 VAL 116 16.484 6.537 -0.555 896 3HG2 VAL 69 HG23 VAL 116 16.662 6.828 -2.284 897 H ASP 70 HN ASP 117 21.515 7.854 -0.642 898 HA ASP 70 HA ASP 117 22.621 5.315 -1.270 899 1HB ASP 70 HB2 ASP 117 23.031 7.126 1.121 900 2HB ASP 70 HB1 ASP 117 23.967 5.655 0.852 901 H GLY 71 HN GLY 118 20.473 6.332 1.360 902 1HA GLY 71 HA2 GLY 118 20.536 3.973 2.911 903 2HA GLY 71 HA1 GLY 118 19.140 5.047 2.799 No H/Q in entry = 903 Start of MODEL 18 1 1H MET 1 HT3 MET 1 -8.920 -1.177 9.883 2 2H MET 1 HT2 MET 1 -9.412 -2.490 10.845 3 3H MET 1 HT1 MET 1 -9.602 -0.899 11.411 4 HA MET 1 HA MET 1 -7.465 -0.686 12.037 5 1HB MET 1 HB2 MET 1 -8.367 -2.759 13.127 6 2HB MET 1 HB1 MET 1 -7.636 -3.709 11.836 7 1HG MET 1 HG2 MET 1 -6.095 -3.735 13.682 8 2HG MET 1 HG1 MET 1 -5.407 -2.667 12.462 9 1HE MET 1 HE1 MET 1 -4.293 -2.659 15.161 10 2HE MET 1 HE3 MET 1 -3.817 -1.317 14.111 11 3HE MET 1 HE2 MET 1 -4.309 -1.009 15.775 12 H VAL 2 HN VAL 2 -5.314 -0.567 11.369 13 HA VAL 2 HA VAL 2 -4.794 -1.402 8.550 14 HB VAL 2 HB VAL 2 -3.337 0.508 10.407 15 1HG1 VAL 2 HG12 VAL 2 -2.836 -0.320 7.537 16 2HG1 VAL 2 HG11 VAL 2 -2.179 1.162 8.232 17 3HG1 VAL 2 HG13 VAL 2 -1.710 -0.407 8.892 18 1HG2 VAL 2 HG22 VAL 2 -5.256 0.847 8.095 19 2HG2 VAL 2 HG21 VAL 2 -5.405 1.486 9.731 20 3HG2 VAL 2 HG23 VAL 2 -4.197 2.150 8.633 21 H LYS 3 HN LYS 3 -2.661 -2.374 8.060 22 HA LYS 3 HA LYS 3 -1.424 -3.830 10.374 23 1HB LYS 3 HB2 LYS 3 -2.906 -5.360 9.101 24 2HB LYS 3 HB1 LYS 3 -2.031 -4.958 7.622 25 1HG LYS 3 HG2 LYS 3 -0.043 -5.970 8.384 26 2HG LYS 3 HG1 LYS 3 -0.597 -6.043 10.050 27 1HD LYS 3 HD2 LYS 3 -2.341 -7.673 9.379 28 2HD LYS 3 HD1 LYS 3 -1.749 -7.605 7.719 29 1HE LYS 3 HE2 LYS 3 0.463 -8.404 8.479 30 2HE LYS 3 HE1 LYS 3 -0.144 -8.500 10.131 31 1HZ LYS 3 HZ2 LYS 3 -1.282 -9.975 7.817 32 2HZ LYS 3 HZ1 LYS 3 -0.219 -10.642 8.963 33 3HZ LYS 3 HZ3 LYS 3 -1.760 -10.121 9.442 34 H GLN 4 HN GLN 4 0.702 -3.400 10.475 35 HA GLN 4 HA GLN 4 2.043 -2.170 8.125 36 1HB GLN 4 HB2 GLN 4 2.278 -1.109 10.371 37 2HB GLN 4 HB1 GLN 4 3.038 -2.585 10.964 38 1HG GLN 4 HG2 GLN 4 4.835 -2.336 9.272 39 2HG GLN 4 HG1 GLN 4 4.086 -0.838 8.713 40 1HE2 GLN 4 HE22 GLN 4 6.166 0.824 11.041 41 2HE2 GLN 4 HE21 GLN 4 5.773 0.600 9.405 42 H ILE 5 HN ILE 5 3.263 -3.434 6.827 43 HA ILE 5 HA ILE 5 4.027 -6.165 7.772 44 HB ILE 5 HB ILE 5 4.269 -4.982 4.998 45 1HG1 ILE 5 HG12 ILE 5 1.905 -4.846 5.730 46 2HG1 ILE 5 HG11 ILE 5 2.125 -6.031 4.446 47 1HG2 ILE 5 HG21 ILE 5 4.206 -7.789 6.098 48 2HG2 ILE 5 HG23 ILE 5 4.121 -7.400 4.387 49 3HG2 ILE 5 HG22 ILE 5 5.561 -6.980 5.308 50 1HD1 ILE 5 HD11 ILE 5 2.174 -7.844 6.153 51 2HD1 ILE 5 HD13 ILE 5 1.894 -6.644 7.408 52 3HD1 ILE 5 HD12 ILE 5 0.665 -6.939 6.191 53 H GLU 6 HN GLU 6 6.055 -6.174 8.694 54 HA GLU 6 HA GLU 6 8.095 -4.258 7.691 55 1HB GLU 6 HB2 GLU 6 8.159 -6.151 10.062 56 2HB GLU 6 HB1 GLU 6 9.377 -4.935 9.668 57 1HG GLU 6 HG2 GLU 6 8.061 -3.797 11.235 58 2HG GLU 6 HG1 GLU 6 7.368 -3.259 9.708 59 H SER 7 HN SER 7 7.071 -7.323 6.924 60 HA SER 7 HA SER 7 9.669 -7.924 5.653 61 1HB SER 7 HB2 SER 7 9.811 -10.197 6.599 62 2HB SER 7 HB1 SER 7 9.935 -8.970 7.859 63 HG SER 7 HG SER 7 8.080 -10.913 7.489 64 H LYS 8 HN LYS 8 9.537 -9.681 4.121 65 HA LYS 8 HA LYS 8 7.100 -9.735 2.600 66 1HB LYS 8 HB2 LYS 8 9.466 -10.239 1.756 67 2HB LYS 8 HB1 LYS 8 9.294 -11.820 2.526 68 1HG LYS 8 HG2 LYS 8 7.065 -11.993 1.202 69 2HG LYS 8 HG1 LYS 8 7.715 -10.668 0.233 70 1HD LYS 8 HD2 LYS 8 9.066 -13.345 0.701 71 2HD LYS 8 HD1 LYS 8 8.268 -12.839 -0.787 72 1HE LYS 8 HE2 LYS 8 9.874 -10.835 -0.774 73 2HE LYS 8 HE1 LYS 8 10.781 -11.720 0.451 74 1HZ LYS 8 HZ3 LYS 8 10.141 -13.450 -1.672 75 2HZ LYS 8 HZ2 LYS 8 10.877 -12.054 -2.304 76 3HZ LYS 8 HZ1 LYS 8 11.671 -12.974 -1.116 77 H THR 9 HN THR 9 8.477 -11.743 5.116 78 HA THR 9 HA THR 9 6.832 -14.023 4.852 79 HB THR 9 HB THR 9 7.850 -12.766 7.414 80 HG1 THR 9 HG1 THR 9 9.263 -13.494 5.477 81 1HG2 THR 9 HG21 THR 9 6.975 -15.587 6.743 82 2HG2 THR 9 HG23 THR 9 7.751 -15.105 8.250 83 3HG2 THR 9 HG22 THR 9 6.159 -14.469 7.838 84 H ALA 10 HN ALA 10 6.307 -11.060 6.753 85 HA ALA 10 HA ALA 10 3.657 -11.849 7.583 86 1HB ALA 10 HB1 ALA 10 5.204 -9.267 7.595 87 2HB ALA 10 HB3 ALA 10 3.478 -9.245 7.957 88 3HB ALA 10 HB2 ALA 10 4.581 -10.187 8.960 89 H PHE 11 HN PHE 11 4.981 -10.200 4.775 90 HA PHE 11 HA PHE 11 2.591 -9.040 3.759 91 1HB PHE 11 HB2 PHE 11 4.964 -8.781 2.824 92 2HB PHE 11 HB1 PHE 11 4.759 -10.358 2.089 93 HD1 PHE 11 HD1 PHE 11 2.883 -7.115 2.399 94 HD2 PHE 11 HD2 PHE 11 3.970 -10.434 -0.109 95 HE1 PHE 11 HE1 PHE 11 1.695 -6.072 0.493 96 HE2 PHE 11 HE2 PHE 11 2.769 -9.392 -2.010 97 HZ PHE 11 HZ PHE 11 1.632 -7.211 -1.707 98 H GLN 12 HN GLN 12 3.972 -12.280 3.331 99 HA GLN 12 HA GLN 12 1.922 -13.260 1.567 100 1HB GLN 12 HB2 GLN 12 3.749 -14.708 3.521 101 2HB GLN 12 HB1 GLN 12 2.801 -15.494 2.258 102 1HG GLN 12 HG2 GLN 12 4.889 -13.349 1.766 103 2HG GLN 12 HG1 GLN 12 5.163 -15.079 1.561 104 1HE2 GLN 12 HE22 GLN 12 2.938 -15.271 -1.325 105 2HE2 GLN 12 HE21 GLN 12 3.318 -16.145 0.080 106 H GLU 13 HN GLU 13 2.342 -13.402 5.090 107 HA GLU 13 HA GLU 13 -0.014 -14.947 5.650 108 1HB GLU 13 HB2 GLU 13 1.754 -13.114 7.261 109 2HB GLU 13 HB1 GLU 13 0.290 -13.763 7.975 110 1HG GLU 13 HG2 GLU 13 2.180 -15.226 8.509 111 2HG GLU 13 HG1 GLU 13 1.073 -16.065 7.426 112 H ALA 14 HN ALA 14 0.541 -11.446 5.431 113 HA ALA 14 HA ALA 14 -2.076 -10.701 6.349 114 1HB ALA 14 HB2 ALA 14 -0.109 -9.230 4.567 115 2HB ALA 14 HB1 ALA 14 -1.570 -8.509 5.246 116 3HB ALA 14 HB3 ALA 14 -0.282 -9.062 6.315 117 H LEU 15 HN LEU 15 -0.764 -11.385 3.109 118 HA LEU 15 HA LEU 15 -3.085 -10.621 1.647 119 1HB LEU 15 HB2 LEU 15 -0.980 -12.729 1.096 120 2HB LEU 15 HB1 LEU 15 -2.235 -12.296 -0.064 121 HG LEU 15 HG LEU 15 -0.371 -10.250 1.157 122 1HD1 LEU 15 HD11 LEU 15 0.025 -12.070 -1.205 123 2HD1 LEU 15 HD13 LEU 15 0.726 -10.452 -1.221 124 3HD1 LEU 15 HD12 LEU 15 1.178 -11.595 0.041 125 1HD2 LEU 15 HD21 LEU 15 -2.336 -10.269 -1.136 126 2HD2 LEU 15 HD23 LEU 15 -2.183 -9.108 0.179 127 3HD2 LEU 15 HD22 LEU 15 -0.996 -9.124 -1.120 128 H ASP 16 HN ASP 16 -2.148 -13.625 3.256 129 HA ASP 16 HA ASP 16 -4.436 -15.146 2.405 130 1HB ASP 16 HB2 ASP 16 -2.226 -16.037 3.371 131 2HB ASP 16 HB1 ASP 16 -2.882 -15.618 4.956 132 H ALA 17 HN ALA 17 -3.750 -13.129 5.225 133 HA ALA 17 HA ALA 17 -6.096 -13.853 6.712 134 1HB ALA 17 HB2 ALA 17 -4.120 -12.720 7.709 135 2HB ALA 17 HB1 ALA 17 -4.520 -11.266 6.796 136 3HB ALA 17 HB3 ALA 17 -5.618 -11.851 8.045 137 H ALA 18 HN ALA 18 -5.453 -11.334 4.312 138 HA ALA 18 HA ALA 18 -7.898 -9.894 4.624 139 1HB ALA 18 HB3 ALA 18 -5.988 -10.258 2.320 140 2HB ALA 18 HB2 ALA 18 -7.442 -9.270 2.161 141 3HB ALA 18 HB1 ALA 18 -6.207 -8.841 3.345 142 H GLY 19 HN GLY 19 -7.096 -12.837 2.874 143 1HA GLY 19 HA2 GLY 19 -8.503 -14.446 1.904 144 2HA GLY 19 HA1 GLY 19 -9.851 -13.658 2.723 145 H ASP 20 HN ASP 20 -11.368 -13.074 1.240 146 HA ASP 20 HA ASP 20 -10.533 -12.405 -1.520 147 1HB ASP 20 HB2 ASP 20 -13.293 -12.700 -0.301 148 2HB ASP 20 HB1 ASP 20 -12.948 -12.448 -2.012 149 H LYS 21 HN LYS 21 -10.643 -10.641 1.221 150 HA LYS 21 HA LYS 21 -12.213 -8.347 0.327 151 1HB LYS 21 HB2 LYS 21 -10.132 -8.651 2.510 152 2HB LYS 21 HB1 LYS 21 -11.048 -7.171 2.226 153 1HG LYS 21 HG2 LYS 21 -13.148 -8.726 2.421 154 2HG LYS 21 HG1 LYS 21 -12.032 -9.849 3.200 155 1HD LYS 21 HD2 LYS 21 -11.360 -7.838 4.691 156 2HD LYS 21 HD1 LYS 21 -12.833 -7.077 4.088 157 1HE LYS 21 HE2 LYS 21 -14.124 -9.068 4.858 158 2HE LYS 21 HE1 LYS 21 -12.641 -9.716 5.558 159 1HZ LYS 21 HZ1 LYS 21 -13.292 -6.982 6.270 160 2HZ LYS 21 HZ3 LYS 21 -14.336 -8.167 6.890 161 3HZ LYS 21 HZ2 LYS 21 -12.673 -8.239 7.229 162 H LEU 22 HN LEU 22 -11.360 -6.343 -0.480 163 HA LEU 22 HA LEU 22 -9.187 -6.578 -2.283 164 1HB LEU 22 HB2 LEU 22 -11.167 -4.710 -1.819 165 2HB LEU 22 HB1 LEU 22 -9.750 -3.854 -1.234 166 HG LEU 22 HG LEU 22 -10.163 -5.003 -4.000 167 1HD1 LEU 22 HD11 LEU 22 -10.478 -2.326 -2.778 168 2HD1 LEU 22 HD13 LEU 22 -9.474 -2.312 -4.225 169 3HD1 LEU 22 HD12 LEU 22 -11.112 -2.959 -4.289 170 1HD2 LEU 22 HD23 LEU 22 -7.697 -3.879 -2.659 171 2HD2 LEU 22 HD22 LEU 22 -7.847 -5.349 -3.624 172 3HD2 LEU 22 HD21 LEU 22 -7.904 -3.777 -4.403 173 H VAL 23 HN VAL 23 -7.012 -5.569 -2.073 174 HA VAL 23 HA VAL 23 -6.149 -4.946 0.691 175 HB VAL 23 HB VAL 23 -4.815 -7.021 -1.071 176 1HG1 VAL 23 HG12 VAL 23 -4.118 -5.799 1.606 177 2HG1 VAL 23 HG11 VAL 23 -3.447 -7.340 1.070 178 3HG1 VAL 23 HG13 VAL 23 -3.122 -5.870 0.154 179 1HG2 VAL 23 HG22 VAL 23 -6.469 -7.221 1.450 180 2HG2 VAL 23 HG21 VAL 23 -6.751 -8.022 -0.093 181 3HG2 VAL 23 HG23 VAL 23 -5.390 -8.507 0.917 182 H VAL 24 HN VAL 24 -5.308 -2.945 0.412 183 HA VAL 24 HA VAL 24 -3.808 -2.345 -2.099 184 HB VAL 24 HB VAL 24 -4.675 -0.439 0.105 185 1HG1 VAL 24 HG12 VAL 24 -2.791 0.240 -1.452 186 2HG1 VAL 24 HG11 VAL 24 -3.943 0.117 -2.781 187 3HG1 VAL 24 HG13 VAL 24 -4.202 1.297 -1.497 188 1HG2 VAL 24 HG21 VAL 24 -6.044 -1.268 -2.464 189 2HG2 VAL 24 HG23 VAL 24 -6.686 -1.368 -0.824 190 3HG2 VAL 24 HG22 VAL 24 -6.455 0.204 -1.587 191 H VAL 25 HN VAL 25 -1.593 -1.792 -1.976 192 HA VAL 25 HA VAL 25 -0.335 -1.980 0.751 193 HB VAL 25 HB VAL 25 0.913 -2.911 -1.847 194 1HG1 VAL 25 HG11 VAL 25 2.357 -2.211 0.138 195 2HG1 VAL 25 HG13 VAL 25 1.651 -3.575 1.003 196 3HG1 VAL 25 HG12 VAL 25 2.604 -3.851 -0.453 197 1HG2 VAL 25 HG22 VAL 25 -1.146 -4.240 -1.120 198 2HG2 VAL 25 HG21 VAL 25 0.349 -5.162 -1.248 199 3HG2 VAL 25 HG23 VAL 25 -0.246 -4.662 0.335 200 H ASP 26 HN ASP 26 0.729 -0.179 1.294 201 HA ASP 26 HA ASP 26 1.467 1.773 -0.856 202 1HB ASP 26 HB2 ASP 26 0.038 2.613 0.967 203 2HB ASP 26 HB1 ASP 26 1.249 2.139 2.155 204 H PHE 27 HN PHE 27 3.551 1.758 -1.469 205 HA PHE 27 HA PHE 27 5.658 0.637 0.315 206 1HB PHE 27 HB2 PHE 27 5.587 1.350 -2.624 207 2HB PHE 27 HB1 PHE 27 7.080 0.906 -1.790 208 HD1 PHE 27 HD1 PHE 27 7.257 -1.339 -0.673 209 HD2 PHE 27 HD2 PHE 27 3.993 -0.303 -3.267 210 HE1 PHE 27 HE1 PHE 27 6.707 -3.743 -0.941 211 HE2 PHE 27 HE2 PHE 27 3.448 -2.700 -3.525 212 HZ PHE 27 HZ PHE 27 4.794 -4.421 -2.363 213 H SER 28 HN SER 28 4.364 3.406 0.566 214 HA SER 28 HA SER 28 6.206 5.373 -0.293 215 1HB SER 28 HB2 SER 28 4.528 5.387 2.231 216 2HB SER 28 HB1 SER 28 5.291 6.794 1.504 217 HG SER 28 HG SER 28 2.948 6.094 0.987 218 H ALA 29 HN ALA 29 8.001 6.305 0.648 219 HA ALA 29 HA ALA 29 9.479 4.594 2.529 220 1HB ALA 29 HB1 ALA 29 10.109 6.959 0.791 221 2HB ALA 29 HB3 ALA 29 11.137 6.696 2.202 222 3HB ALA 29 HB2 ALA 29 10.988 5.444 0.967 223 H THR 30 HN THR 30 9.449 4.950 4.702 224 HA THR 30 HA THR 30 7.827 7.076 5.775 225 HB THR 30 HB THR 30 8.154 4.955 6.998 226 HG1 THR 30 HG1 THR 30 8.744 7.439 8.042 227 1HG2 THR 30 HG22 THR 30 10.558 4.683 6.283 228 2HG2 THR 30 HG21 THR 30 10.984 5.912 7.475 229 3HG2 THR 30 HG23 THR 30 10.271 4.386 7.998 230 H TRP 31 HN TRP 31 11.241 6.741 5.014 231 HA TRP 31 HA TRP 31 12.045 9.088 6.571 232 1HB TRP 31 HB2 TRP 31 14.180 8.893 5.384 233 2HB TRP 31 HB1 TRP 31 13.673 7.319 5.996 234 HD1 TRP 31 HD1 TRP 31 13.190 5.452 4.289 235 HE1 TRP 31 HE1 TRP 31 13.416 5.250 1.730 236 HE3 TRP 31 HE3 TRP 31 13.871 10.362 3.064 237 HZ2 TRP 31 HZ2 TRP 31 13.811 6.932 -0.528 238 HZ3 TRP 31 HZ3 TRP 31 14.155 11.029 0.696 239 HH2 TRP 31 HH2 TRP 31 14.127 9.324 -1.100 240 H CYS 32 HN CYS 32 10.624 8.568 3.457 241 HA CYS 32 HA CYS 32 11.578 11.138 2.393 242 1HB CYS 32 HB2 CYS 32 11.114 9.107 0.942 243 2HB CYS 32 HB1 CYS 32 9.402 9.333 1.287 244 H GLY 33 HN GLY 33 10.659 13.000 2.905 245 1HA GLY 33 HA2 GLY 33 8.432 13.220 4.653 246 2HA GLY 33 HA1 GLY 33 9.141 14.552 3.751 247 HA PRO 34 HA PRO 34 5.774 14.698 0.923 248 1HB PRO 34 HB2 PRO 34 6.701 13.600 -1.531 249 2HB PRO 34 HB1 PRO 34 6.764 15.298 -1.039 250 1HG PRO 34 HG2 PRO 34 8.943 13.301 -1.132 251 2HG PRO 34 HG1 PRO 34 9.040 15.066 -1.125 252 1HD PRO 34 HD2 PRO 34 9.684 13.424 1.036 253 2HD PRO 34 HD1 PRO 34 9.307 15.153 1.166 254 H ALA 35 HN ALA 35 7.360 11.526 0.854 255 HA ALA 35 HA ALA 35 4.966 10.152 -0.091 256 1HB ALA 35 HB1 ALA 35 7.529 9.443 -0.152 257 2HB ALA 35 HB3 ALA 35 7.140 8.719 1.409 258 3HB ALA 35 HB2 ALA 35 6.264 8.223 -0.041 259 H LYS 36 HN LYS 36 6.650 10.208 3.085 260 HA LYS 36 HA LYS 36 4.609 8.817 4.499 261 1HB LYS 36 HB2 LYS 36 6.928 9.258 5.349 262 2HB LYS 36 HB1 LYS 36 6.444 10.929 5.654 263 1HG LYS 36 HG2 LYS 36 4.582 10.085 7.090 264 2HG LYS 36 HG1 LYS 36 5.181 8.445 6.850 265 1HD LYS 36 HD2 LYS 36 7.332 9.063 7.873 266 2HD LYS 36 HD1 LYS 36 6.761 10.720 8.088 267 1HE LYS 36 HE2 LYS 36 5.475 8.260 9.303 268 2HE LYS 36 HE1 LYS 36 6.502 9.403 10.169 269 1HZ LYS 36 HZ3 LYS 36 4.804 11.107 9.188 270 2HZ LYS 36 HZ2 LYS 36 3.783 9.750 9.137 271 3HZ LYS 36 HZ1 LYS 36 4.453 10.257 10.613 272 H MET 37 HN MET 37 5.016 12.274 3.837 273 HA MET 37 HA MET 37 2.972 13.269 5.539 274 1HB MET 37 HB2 MET 37 4.664 14.629 4.261 275 2HB MET 37 HB1 MET 37 3.720 14.339 2.803 276 1HG MET 37 HG2 MET 37 2.449 15.522 5.276 277 2HG MET 37 HG1 MET 37 3.273 16.537 4.094 278 1HE MET 37 HE1 MET 37 0.576 17.147 4.846 279 2HE MET 37 HE3 MET 37 1.138 17.956 3.377 280 3HE MET 37 HE2 MET 37 -0.456 17.208 3.420 281 H ILE 38 HN ILE 38 2.805 11.666 2.443 282 HA ILE 38 HA ILE 38 -0.013 12.330 1.998 283 HB ILE 38 HB ILE 38 1.864 10.415 0.585 284 1HG1 ILE 38 HG12 ILE 38 0.740 13.025 -0.444 285 2HG1 ILE 38 HG11 ILE 38 2.208 12.992 0.528 286 1HG2 ILE 38 HG23 ILE 38 -1.040 11.093 0.162 287 2HG2 ILE 38 HG22 ILE 38 -0.025 10.742 -1.237 288 3HG2 ILE 38 HG21 ILE 38 -0.225 9.534 0.028 289 1HD1 ILE 38 HD12 ILE 38 3.146 11.303 -1.114 290 2HD1 ILE 38 HD11 ILE 38 1.742 11.633 -2.129 291 3HD1 ILE 38 HD13 ILE 38 2.889 12.920 -1.763 292 H LYS 39 HN LYS 39 1.483 10.107 4.066 293 HA LYS 39 HA LYS 39 -0.150 7.835 3.499 294 1HB LYS 39 HB2 LYS 39 0.628 6.774 5.412 295 2HB LYS 39 HB1 LYS 39 1.965 7.797 4.923 296 1HG LYS 39 HG2 LYS 39 1.480 9.397 6.667 297 2HG LYS 39 HG1 LYS 39 -0.031 8.601 7.081 298 1HD LYS 39 HD2 LYS 39 2.758 7.464 7.415 299 2HD LYS 39 HD1 LYS 39 1.699 8.035 8.701 300 1HE LYS 39 HE2 LYS 39 0.027 6.240 7.677 301 2HE LYS 39 HE1 LYS 39 1.525 5.510 7.094 302 1HZ LYS 39 HZ3 LYS 39 1.201 6.359 9.904 303 2HZ LYS 39 HZ2 LYS 39 0.711 4.822 9.376 304 3HZ LYS 39 HZ1 LYS 39 2.342 5.287 9.252 305 HA PRO 40 HA PRO 40 -3.006 9.558 7.114 306 1HB PRO 40 HB2 PRO 40 -3.514 12.190 5.806 307 2HB PRO 40 HB1 PRO 40 -3.355 11.800 7.531 308 1HG PRO 40 HG2 PRO 40 -1.410 13.105 6.211 309 2HG PRO 40 HG1 PRO 40 -1.039 11.930 7.481 310 1HD PRO 40 HD2 PRO 40 -0.829 11.624 4.523 311 2HD PRO 40 HD1 PRO 40 0.216 10.938 5.777 312 H PHE 41 HN PHE 41 -3.310 10.594 3.698 313 HA PHE 41 HA PHE 41 -6.154 10.087 3.635 314 1HB PHE 41 HB2 PHE 41 -4.022 10.310 1.496 315 2HB PHE 41 HB1 PHE 41 -5.708 9.967 1.108 316 HD1 PHE 41 HD2 PHE 41 -3.588 12.356 3.037 317 HD2 PHE 41 HD1 PHE 41 -7.220 11.725 0.848 318 HE1 PHE 41 HE2 PHE 41 -4.119 14.772 3.240 319 HE2 PHE 41 HE1 PHE 41 -7.764 14.136 1.055 320 HZ PHE 41 HZ PHE 41 -6.217 15.662 2.248 321 H PHE 42 HN PHE 42 -3.272 8.209 2.738 322 HA PHE 42 HA PHE 42 -4.638 5.866 1.838 323 1HB PHE 42 HB2 PHE 42 -2.270 6.164 1.404 324 2HB PHE 42 HB1 PHE 42 -1.910 6.235 3.131 325 HD1 PHE 42 HD1 PHE 42 -3.213 4.018 0.427 326 HD2 PHE 42 HD2 PHE 42 -1.618 4.259 4.408 327 HE1 PHE 42 HE1 PHE 42 -3.032 1.552 0.507 328 HE2 PHE 42 HE2 PHE 42 -1.433 1.787 4.482 329 HZ PHE 42 HZ PHE 42 -2.144 0.431 2.533 330 H HIS 43 HN HIS 43 -3.202 6.598 5.007 331 HA HIS 43 HA HIS 43 -4.223 4.284 6.339 332 1HB HIS 43 HB2 HIS 43 -2.269 5.556 7.125 333 2HB HIS 43 HB1 HIS 43 -3.291 6.955 7.438 334 HD1 HIS 43 HD1 HIS 43 -2.297 3.648 8.833 335 HD2 HIS 43 HD2 HIS 43 -5.048 6.651 9.678 336 HE1 HIS 43 HE1 HIS 43 -3.238 3.122 11.121 337 H SER 44 HN SER 44 -5.465 7.617 6.056 338 HA SER 44 HA SER 44 -7.614 7.351 7.902 339 1HB SER 44 HB2 SER 44 -7.396 9.104 5.440 340 2HB SER 44 HB1 SER 44 -8.677 9.233 6.641 341 HG SER 44 HG SER 44 -7.138 9.725 8.189 342 H LEU 45 HN LEU 45 -7.381 6.551 4.459 343 HA LEU 45 HA LEU 45 -10.130 6.037 3.982 344 1HB LEU 45 HB2 LEU 45 -7.638 4.913 2.734 345 2HB LEU 45 HB1 LEU 45 -9.236 4.479 2.160 346 HG LEU 45 HG LEU 45 -8.474 7.394 2.447 347 1HD1 LEU 45 HD13 LEU 45 -7.753 5.490 0.209 348 2HD1 LEU 45 HD12 LEU 45 -7.938 7.221 -0.077 349 3HD1 LEU 45 HD11 LEU 45 -6.707 6.640 1.044 350 1HD2 LEU 45 HD22 LEU 45 -10.428 5.832 0.723 351 2HD2 LEU 45 HD21 LEU 45 -10.819 6.979 2.004 352 3HD2 LEU 45 HD23 LEU 45 -10.094 7.547 0.505 353 H SER 46 HN SER 46 -7.758 4.179 5.700 354 HA SER 46 HA SER 46 -8.823 1.583 5.471 355 1HB SER 46 HB2 SER 46 -7.675 2.891 7.954 356 2HB SER 46 HB1 SER 46 -7.851 1.161 7.695 357 HG SER 46 HG SER 46 -6.554 2.555 5.688 358 H GLU 47 HN GLU 47 -9.846 4.287 7.523 359 HA GLU 47 HA GLU 47 -12.003 2.654 8.713 360 1HB GLU 47 HB2 GLU 47 -11.169 5.554 9.044 361 2HB GLU 47 HB1 GLU 47 -12.553 4.839 9.871 362 1HG GLU 47 HG2 GLU 47 -10.719 4.664 11.396 363 2HG GLU 47 HG1 GLU 47 -10.951 3.047 10.732 364 H LYS 48 HN LYS 48 -11.549 4.598 5.958 365 HA LYS 48 HA LYS 48 -14.335 5.503 5.759 366 1HB LYS 48 HB2 LYS 48 -12.187 6.578 4.747 367 2HB LYS 48 HB1 LYS 48 -12.348 5.361 3.483 368 1HG LYS 48 HG2 LYS 48 -14.237 7.603 4.197 369 2HG LYS 48 HG1 LYS 48 -13.460 7.277 2.654 370 1HD LYS 48 HD2 LYS 48 -14.812 5.131 2.572 371 2HD LYS 48 HD1 LYS 48 -15.733 5.767 3.936 372 1HE LYS 48 HE2 LYS 48 -16.365 7.727 2.648 373 2HE LYS 48 HE1 LYS 48 -15.369 7.194 1.293 374 1HZ LYS 48 HZ1 LYS 48 -17.320 5.291 2.304 375 2HZ LYS 48 HZ3 LYS 48 -17.947 6.642 1.491 376 3HZ LYS 48 HZ2 LYS 48 -16.843 5.616 0.705 377 H TYR 49 HN TYR 49 -12.220 2.988 4.576 378 HA TYR 49 HA TYR 49 -14.586 1.433 3.551 379 1HB TYR 49 HB2 TYR 49 -11.741 1.610 2.503 380 2HB TYR 49 HB1 TYR 49 -12.877 0.358 1.999 381 HD1 TYR 49 HD2 TYR 49 -14.956 0.987 0.788 382 HD2 TYR 49 HD1 TYR 49 -11.907 3.865 1.701 383 HE1 TYR 49 HE2 TYR 49 -15.932 2.543 -0.876 384 HE2 TYR 49 HE1 TYR 49 -12.885 5.426 0.039 385 HH TYR 49 HH TYR 49 -15.588 4.445 -2.035 386 H SER 50 HN SER 50 -14.384 0.975 6.011 387 HA SER 50 HA SER 50 -12.231 -0.576 7.034 388 1HB SER 50 HB2 SER 50 -13.710 -1.080 8.863 389 2HB SER 50 HB1 SER 50 -14.043 0.569 8.366 390 HG SER 50 HG SER 50 -15.537 -1.072 6.902 391 H ASN 51 HN ASN 51 -14.458 -1.302 4.631 392 HA ASN 51 HA ASN 51 -14.501 -4.216 5.161 393 1HB ASN 51 HB2 ASN 51 -16.499 -2.918 4.237 394 2HB ASN 51 HB1 ASN 51 -15.588 -2.758 2.736 395 1HD2 ASN 51 HD22 ASN 51 -16.468 -5.988 1.649 396 2HD2 ASN 51 HD21 ASN 51 -15.895 -4.438 1.257 397 H VAL 52 HN VAL 52 -12.191 -2.252 4.181 398 HA VAL 52 HA VAL 52 -11.079 -4.180 2.188 399 HB VAL 52 HB VAL 52 -10.989 -1.155 2.130 400 1HG1 VAL 52 HG11 VAL 52 -9.151 -3.191 0.908 401 2HG1 VAL 52 HG13 VAL 52 -9.557 -1.760 -0.042 402 3HG1 VAL 52 HG12 VAL 52 -8.783 -1.585 1.530 403 1HG2 VAL 52 HG23 VAL 52 -11.972 -3.289 0.222 404 2HG2 VAL 52 HG22 VAL 52 -12.934 -2.065 1.049 405 3HG2 VAL 52 HG21 VAL 52 -11.809 -1.590 -0.222 406 H ILE 53 HN ILE 53 -8.810 -4.582 2.465 407 HA ILE 53 HA ILE 53 -7.774 -3.719 5.144 408 HB ILE 53 HB ILE 53 -6.679 -5.848 3.294 409 1HG1 ILE 53 HG12 ILE 53 -8.964 -6.476 3.784 410 2HG1 ILE 53 HG11 ILE 53 -7.911 -7.444 4.813 411 1HG2 ILE 53 HG22 ILE 53 -5.261 -4.900 5.189 412 2HG2 ILE 53 HG21 ILE 53 -6.434 -5.609 6.296 413 3HG2 ILE 53 HG23 ILE 53 -5.510 -6.644 5.209 414 1HD1 ILE 53 HD13 ILE 53 -8.260 -5.573 6.577 415 2HD1 ILE 53 HD12 ILE 53 -9.626 -5.086 5.576 416 3HD1 ILE 53 HD11 ILE 53 -9.587 -6.699 6.290 417 H PHE 54 HN PHE 54 -6.315 -2.055 5.156 418 HA PHE 54 HA PHE 54 -4.742 -1.474 2.672 419 1HB PHE 54 HB2 PHE 54 -5.282 0.181 5.160 420 2HB PHE 54 HB1 PHE 54 -4.255 0.695 3.833 421 HD1 PHE 54 HD1 PHE 54 -7.707 -0.576 4.512 422 HD2 PHE 54 HD2 PHE 54 -5.207 1.891 2.043 423 HE1 PHE 54 HE1 PHE 54 -9.706 0.291 3.342 424 HE2 PHE 54 HE2 PHE 54 -7.214 2.744 0.858 425 HZ PHE 54 HZ PHE 54 -9.463 1.936 1.503 426 H LEU 55 HN LEU 55 -2.576 -1.983 2.669 427 HA LEU 55 HA LEU 55 -1.245 -2.637 5.280 428 1HB LEU 55 HB2 LEU 55 -0.658 -3.587 2.455 429 2HB LEU 55 HB1 LEU 55 0.465 -3.828 3.789 430 HG LEU 55 HG LEU 55 -0.977 -5.332 4.891 431 1HD1 LEU 55 HD12 LEU 55 -3.186 -4.215 3.161 432 2HD1 LEU 55 HD11 LEU 55 -3.357 -5.715 4.067 433 3HD1 LEU 55 HD13 LEU 55 -3.055 -4.211 4.926 434 1HD2 LEU 55 HD22 LEU 55 -0.010 -6.195 2.739 435 2HD2 LEU 55 HD21 LEU 55 -1.474 -7.036 3.245 436 3HD2 LEU 55 HD23 LEU 55 -1.548 -5.829 1.959 437 H GLU 56 HN GLU 56 0.650 -1.588 5.812 438 HA GLU 56 HA GLU 56 1.591 0.552 3.925 439 1HB GLU 56 HB2 GLU 56 0.696 1.280 6.207 440 2HB GLU 56 HB1 GLU 56 2.062 0.423 6.924 441 1HG GLU 56 HG2 GLU 56 3.589 1.800 5.457 442 2HG GLU 56 HG1 GLU 56 2.180 2.750 4.984 443 H VAL 57 HN VAL 57 3.620 0.253 3.135 444 HA VAL 57 HA VAL 57 5.383 -1.784 4.475 445 HB VAL 57 HB VAL 57 5.081 -1.273 1.505 446 1HG1 VAL 57 HG12 VAL 57 6.597 -3.372 3.079 447 2HG1 VAL 57 HG11 VAL 57 6.411 -3.350 1.327 448 3HG1 VAL 57 HG13 VAL 57 7.311 -2.066 2.127 449 1HG2 VAL 57 HG21 VAL 57 4.018 -3.460 3.297 450 2HG2 VAL 57 HG23 VAL 57 3.077 -2.316 2.353 451 3HG2 VAL 57 HG22 VAL 57 4.032 -3.556 1.540 452 H ASP 58 HN ASP 58 7.370 -1.045 4.949 453 HA ASP 58 HA ASP 58 8.228 1.641 4.005 454 1HB ASP 58 HB2 ASP 58 8.327 0.886 6.437 455 2HB ASP 58 HB1 ASP 58 9.591 -0.245 5.934 456 H VAL 59 HN VAL 59 9.509 1.680 2.179 457 HA VAL 59 HA VAL 59 10.645 -0.760 1.111 458 HB VAL 59 HB VAL 59 11.834 0.745 -0.456 459 1HG1 VAL 59 HG11 VAL 59 8.954 1.470 0.120 460 2HG1 VAL 59 HG13 VAL 59 9.798 1.868 -1.376 461 3HG1 VAL 59 HG12 VAL 59 9.521 0.183 -0.940 462 1HG2 VAL 59 HG21 VAL 59 10.781 2.894 1.398 463 2HG2 VAL 59 HG23 VAL 59 12.461 2.576 0.966 464 3HG2 VAL 59 HG22 VAL 59 11.348 3.226 -0.238 465 H ASP 60 HN ASP 60 11.642 1.542 3.503 466 HA ASP 60 HA ASP 60 14.490 0.742 3.316 467 1HB ASP 60 HB2 ASP 60 12.923 2.760 4.904 468 2HB ASP 60 HB1 ASP 60 14.563 2.347 5.366 469 H ASP 61 HN ASP 61 11.796 0.365 5.679 470 HA ASP 61 HA ASP 61 13.573 -1.419 7.296 471 1HB ASP 61 HB2 ASP 61 10.770 -0.385 7.854 472 2HB ASP 61 HB1 ASP 61 11.707 -1.409 8.935 473 H ALA 62 HN ALA 62 11.232 -1.514 4.862 474 HA ALA 62 HA ALA 62 10.858 -4.457 5.251 475 1HB ALA 62 HB2 ALA 62 8.812 -2.717 5.523 476 2HB ALA 62 HB1 ALA 62 8.765 -2.907 3.771 477 3HB ALA 62 HB3 ALA 62 8.590 -4.317 4.817 478 H GLN 63 HN GLN 63 12.952 -3.221 3.866 479 HA GLN 63 HA GLN 63 12.532 -2.798 1.098 480 1HB GLN 63 HB2 GLN 63 14.926 -3.080 0.867 481 2HB GLN 63 HB1 GLN 63 14.628 -2.282 2.412 482 1HG GLN 63 HG2 GLN 63 14.680 -4.581 3.489 483 2HG GLN 63 HG1 GLN 63 15.275 -5.202 1.949 484 1HE2 GLN 63 HE22 GLN 63 18.437 -3.448 2.227 485 2HE2 GLN 63 HE21 GLN 63 17.277 -3.888 1.070 486 H ASP 64 HN ASP 64 12.666 -5.772 2.939 487 HA ASP 64 HA ASP 64 13.295 -7.514 0.753 488 1HB ASP 64 HB2 ASP 64 12.177 -9.274 2.202 489 2HB ASP 64 HB1 ASP 64 13.478 -8.381 2.980 490 H VAL 65 HN VAL 65 10.225 -6.232 2.001 491 HA VAL 65 HA VAL 65 8.547 -7.775 0.240 492 HB VAL 65 HB VAL 65 7.943 -5.042 1.391 493 1HG1 VAL 65 HG12 VAL 65 6.328 -5.971 -0.237 494 2HG1 VAL 65 HG11 VAL 65 6.169 -7.417 0.762 495 3HG1 VAL 65 HG13 VAL 65 5.630 -5.856 1.379 496 1HG2 VAL 65 HG21 VAL 65 8.119 -7.718 2.737 497 2HG2 VAL 65 HG23 VAL 65 8.599 -6.136 3.338 498 3HG2 VAL 65 HG22 VAL 65 6.895 -6.576 3.277 499 H ALA 66 HN ALA 66 9.878 -4.480 0.097 500 HA ALA 66 HA ALA 66 8.674 -3.846 -2.447 501 1HB ALA 66 HB3 ALA 66 9.635 -2.299 -0.529 502 2HB ALA 66 HB2 ALA 66 11.130 -2.434 -1.452 503 3HB ALA 66 HB1 ALA 66 9.681 -1.769 -2.208 504 H SER 67 HN SER 67 11.840 -5.103 -1.481 505 HA SER 67 HA SER 67 13.159 -4.788 -3.979 506 1HB SER 67 HB2 SER 67 14.690 -6.529 -3.187 507 2HB SER 67 HB1 SER 67 14.293 -5.438 -1.862 508 HG SER 67 HG SER 67 13.803 -8.093 -2.144 509 H GLU 68 HN GLU 68 11.003 -7.322 -2.784 510 HA GLU 68 HA GLU 68 11.369 -9.167 -4.941 511 1HB GLU 68 HB2 GLU 68 10.202 -9.644 -2.755 512 2HB GLU 68 HB1 GLU 68 8.829 -8.712 -3.350 513 1HG GLU 68 HG2 GLU 68 9.980 -11.069 -4.867 514 2HG GLU 68 HG1 GLU 68 8.685 -11.243 -3.685 515 H ALA 69 HN ALA 69 9.245 -6.355 -4.541 516 HA ALA 69 HA ALA 69 7.916 -6.878 -7.107 517 1HB ALA 69 HB1 ALA 69 7.706 -4.685 -5.050 518 2HB ALA 69 HB3 ALA 69 6.877 -4.587 -6.605 519 3HB ALA 69 HB2 ALA 69 6.504 -5.899 -5.488 520 H GLU 70 HN GLU 70 10.914 -5.646 -6.394 521 HA GLU 70 HA GLU 70 12.399 -4.278 -7.597 522 1HB GLU 70 HB2 GLU 70 10.473 -5.062 -9.806 523 2HB GLU 70 HB1 GLU 70 11.959 -4.165 -10.088 524 1HG GLU 70 HG2 GLU 70 12.474 -6.461 -10.470 525 2HG GLU 70 HG1 GLU 70 13.191 -6.044 -8.915 526 H VAL 71 HN VAL 71 10.653 -2.751 -6.104 527 HA VAL 71 HA VAL 71 9.145 -0.874 -7.692 528 HB VAL 71 HB VAL 71 10.368 -0.398 -4.950 529 1HG1 VAL 71 HG11 VAL 71 8.056 0.823 -6.492 530 2HG1 VAL 71 HG13 VAL 71 8.312 1.084 -4.768 531 3HG1 VAL 71 HG12 VAL 71 9.518 1.636 -5.934 532 1HG2 VAL 71 HG23 VAL 71 7.817 -1.796 -5.818 533 2HG2 VAL 71 HG22 VAL 71 9.083 -2.416 -4.761 534 3HG2 VAL 71 HG21 VAL 71 8.017 -1.129 -4.198 535 H LYS 72 HN LYS 72 9.830 0.945 -8.739 536 HA LYS 72 HA LYS 72 12.744 1.566 -8.663 537 1HB LYS 72 HB2 LYS 72 10.645 2.225 -10.737 538 2HB LYS 72 HB1 LYS 72 12.352 2.635 -10.857 539 1HG LYS 72 HG2 LYS 72 11.454 -0.232 -10.464 540 2HG LYS 72 HG1 LYS 72 11.538 0.487 -12.070 541 1HD LYS 72 HD2 LYS 72 13.947 1.121 -11.538 542 2HD LYS 72 HD1 LYS 72 13.808 0.104 -10.104 543 1HE LYS 72 HE2 LYS 72 14.771 -1.204 -11.916 544 2HE LYS 72 HE1 LYS 72 13.146 -1.802 -11.574 545 1HZ LYS 72 HZ3 LYS 72 13.038 0.301 -13.456 546 2HZ LYS 72 HZ2 LYS 72 14.129 -0.885 -13.992 547 3HZ LYS 72 HZ1 LYS 72 12.523 -1.306 -13.626 548 H ALA 73 HN ALA 73 9.711 2.820 -7.666 549 HA ALA 73 HA ALA 73 11.005 5.288 -6.781 550 1HB ALA 73 HB3 ALA 73 9.372 5.207 -9.239 551 2HB ALA 73 HB2 ALA 73 8.899 6.479 -8.115 552 3HB ALA 73 HB1 ALA 73 10.551 6.412 -8.727 553 H THR 74 HN THR 74 9.709 6.488 -5.286 554 HA THR 74 HA THR 74 7.207 5.120 -4.355 555 HB THR 74 HB THR 74 7.909 5.538 -2.057 556 HG1 THR 74 HG1 THR 74 10.342 6.600 -2.724 557 1HG2 THR 74 HG23 THR 74 9.018 3.642 -3.368 558 2HG2 THR 74 HG22 THR 74 10.441 4.682 -3.432 559 3HG2 THR 74 HG21 THR 74 9.803 4.154 -1.876 560 HA PRO 75 HA PRO 75 5.782 5.766 -2.562 561 1HB PRO 75 HB2 PRO 75 3.184 6.689 -2.628 562 2HB PRO 75 HB1 PRO 75 4.397 7.217 -1.453 563 1HG PRO 75 HG2 PRO 75 3.327 8.666 -3.819 564 2HG PRO 75 HG1 PRO 75 3.981 9.311 -2.306 565 1HD PRO 75 HD2 PRO 75 5.347 9.193 -4.794 566 2HD PRO 75 HD1 PRO 75 6.099 9.512 -3.205 567 H THR 76 HN THR 76 4.775 3.880 -3.228 568 HA THR 76 HA THR 76 3.448 3.873 -5.912 569 HB THR 76 HB THR 76 5.360 1.760 -4.886 570 HG1 THR 76 HG1 THR 76 6.685 2.512 -6.520 571 1HG2 THR 76 HG21 THR 76 3.646 2.001 -7.361 572 2HG2 THR 76 HG23 THR 76 5.065 0.957 -7.310 573 3HG2 THR 76 HG22 THR 76 3.716 0.666 -6.211 574 H PHE 77 HN PHE 77 1.541 2.876 -5.901 575 HA PHE 77 HA PHE 77 0.712 1.406 -3.431 576 1HB PHE 77 HB2 PHE 77 -0.959 2.826 -5.535 577 2HB PHE 77 HB1 PHE 77 -1.579 2.052 -4.073 578 HD1 PHE 77 HD1 PHE 77 -1.063 2.992 -1.829 579 HD2 PHE 77 HD2 PHE 77 0.207 4.931 -5.448 580 HE1 PHE 77 HE1 PHE 77 -0.571 5.059 -0.551 581 HE2 PHE 77 HE2 PHE 77 0.696 7.001 -4.173 582 HZ PHE 77 HZ PHE 77 0.310 7.068 -1.719 583 H GLN 78 HN GLN 78 0.210 -0.732 -3.654 584 HA GLN 78 HA GLN 78 -0.267 -1.794 -6.425 585 1HB GLN 78 HB2 GLN 78 1.270 -3.047 -4.145 586 2HB GLN 78 HB1 GLN 78 0.764 -3.932 -5.582 587 1HG GLN 78 HG2 GLN 78 1.967 -2.185 -6.966 588 2HG GLN 78 HG1 GLN 78 2.636 -1.550 -5.464 589 1HE2 GLN 78 HE22 GLN 78 5.262 -3.850 -6.390 590 2HE2 GLN 78 HE21 GLN 78 4.756 -2.248 -6.615 591 H PHE 79 HN PHE 79 -1.966 -3.109 -6.663 592 HA PHE 79 HA PHE 79 -3.721 -3.483 -4.256 593 1HB PHE 79 HB2 PHE 79 -4.339 -3.431 -7.218 594 2HB PHE 79 HB1 PHE 79 -5.526 -3.743 -5.951 595 HD1 PHE 79 HD2 PHE 79 -3.066 -1.257 -7.212 596 HD2 PHE 79 HD1 PHE 79 -6.435 -1.969 -4.656 597 HE1 PHE 79 HE2 PHE 79 -3.252 1.175 -6.794 598 HE2 PHE 79 HE1 PHE 79 -6.629 0.469 -4.233 599 HZ PHE 79 HZ PHE 79 -5.037 2.039 -5.300 600 H PHE 80 HN PHE 80 -4.158 -5.465 -3.559 601 HA PHE 80 HA PHE 80 -3.503 -7.800 -5.290 602 1HB PHE 80 HB2 PHE 80 -2.936 -7.386 -2.358 603 2HB PHE 80 HB1 PHE 80 -2.929 -8.981 -3.102 604 HD1 PHE 80 HD2 PHE 80 -1.226 -5.700 -2.926 605 HD2 PHE 80 HD1 PHE 80 -1.216 -9.623 -4.693 606 HE1 PHE 80 HE2 PHE 80 1.107 -5.355 -3.682 607 HE2 PHE 80 HE1 PHE 80 1.121 -9.275 -5.446 608 HZ PHE 80 HZ PHE 80 2.283 -7.143 -4.940 609 H LYS 81 HN LYS 81 -4.921 -9.569 -5.115 610 HA LYS 81 HA LYS 81 -7.210 -9.345 -3.240 611 1HB LYS 81 HB2 LYS 81 -7.710 -8.187 -5.540 612 2HB LYS 81 HB1 LYS 81 -7.763 -9.830 -6.177 613 1HG LYS 81 HG2 LYS 81 -9.444 -10.405 -4.412 614 2HG LYS 81 HG1 LYS 81 -9.454 -8.710 -3.928 615 1HD LYS 81 HD2 LYS 81 -10.022 -8.168 -6.370 616 2HD LYS 81 HD1 LYS 81 -10.350 -9.890 -6.564 617 1HE LYS 81 HE2 LYS 81 -11.655 -8.108 -4.485 618 2HE LYS 81 HE1 LYS 81 -12.407 -8.597 -6.006 619 1HZ LYS 81 HZ2 LYS 81 -11.524 -10.935 -4.925 620 2HZ LYS 81 HZ1 LYS 81 -12.091 -10.075 -3.575 621 3HZ LYS 81 HZ3 LYS 81 -13.125 -10.363 -4.885 622 H LYS 82 HN LYS 82 -7.498 -11.365 -2.414 623 HA LYS 82 HA LYS 82 -7.313 -13.689 -2.167 624 1HB LYS 82 HB2 LYS 82 -7.437 -13.667 -5.212 625 2HB LYS 82 HB1 LYS 82 -7.595 -15.089 -4.195 626 1HG LYS 82 HG2 LYS 82 -9.545 -13.861 -3.058 627 2HG LYS 82 HG1 LYS 82 -9.491 -12.746 -4.423 628 1HD LYS 82 HD2 LYS 82 -9.617 -14.815 -5.929 629 2HD LYS 82 HD1 LYS 82 -10.030 -15.723 -4.474 630 1HE LYS 82 HE2 LYS 82 -11.945 -14.177 -4.090 631 2HE LYS 82 HE1 LYS 82 -11.551 -13.355 -5.598 632 1HZ LYS 82 HZ1 LYS 82 -11.677 -16.123 -6.064 633 2HZ LYS 82 HZ3 LYS 82 -13.093 -15.649 -5.260 634 3HZ LYS 82 HZ2 LYS 82 -12.650 -14.893 -6.716 635 H GLY 83 HN GLY 83 -4.970 -11.898 -2.479 636 1HA GLY 83 HA2 GLY 83 -2.651 -12.242 -2.350 637 2HA GLY 83 HA1 GLY 83 -2.920 -13.949 -2.693 638 H GLN 84 HN GLN 84 -4.412 -11.776 -4.906 639 HA GLN 84 HA GLN 84 -2.250 -12.318 -6.913 640 1HB GLN 84 HB2 GLN 84 -5.204 -11.857 -7.420 641 2HB GLN 84 HB1 GLN 84 -3.988 -12.221 -8.638 642 1HG GLN 84 HG2 GLN 84 -4.760 -14.061 -6.353 643 2HG GLN 84 HG1 GLN 84 -5.304 -14.230 -8.021 644 1HE2 GLN 84 HE22 GLN 84 -1.412 -15.126 -7.093 645 2HE2 GLN 84 HE21 GLN 84 -2.321 -14.137 -6.056 646 H LYS 85 HN LYS 85 -1.317 -10.564 -7.911 647 HA LYS 85 HA LYS 85 -2.110 -7.862 -7.086 648 1HB LYS 85 HB2 LYS 85 0.274 -8.509 -7.530 649 2HB LYS 85 HB1 LYS 85 -0.143 -8.722 -9.230 650 1HG LYS 85 HG2 LYS 85 -0.886 -6.340 -9.320 651 2HG LYS 85 HG1 LYS 85 -0.390 -6.146 -7.642 652 1HD LYS 85 HD2 LYS 85 1.513 -5.367 -8.750 653 2HD LYS 85 HD1 LYS 85 1.933 -7.063 -8.522 654 1HE LYS 85 HE2 LYS 85 2.420 -6.439 -10.820 655 2HE LYS 85 HE1 LYS 85 1.040 -7.534 -10.824 656 1HZ LYS 85 HZ2 LYS 85 0.600 -4.629 -10.682 657 2HZ LYS 85 HZ1 LYS 85 0.954 -5.348 -12.179 658 3HZ LYS 85 HZ3 LYS 85 -0.416 -5.839 -11.309 659 H VAL 86 HN VAL 86 -3.667 -6.710 -8.103 660 HA VAL 86 HA VAL 86 -4.361 -7.430 -10.934 661 HB VAL 86 HB VAL 86 -6.692 -6.810 -10.347 662 1HG1 VAL 86 HG11 VAL 86 -5.706 -9.179 -10.135 663 2HG1 VAL 86 HG13 VAL 86 -5.663 -8.881 -8.396 664 3HG1 VAL 86 HG12 VAL 86 -7.203 -8.864 -9.254 665 1HG2 VAL 86 HG21 VAL 86 -6.147 -5.286 -8.473 666 2HG2 VAL 86 HG23 VAL 86 -7.270 -6.544 -7.956 667 3HG2 VAL 86 HG22 VAL 86 -5.563 -6.658 -7.531 668 H GLY 87 HN GLY 87 -2.751 -5.153 -9.352 669 1HA GLY 87 HA2 GLY 87 -3.121 -3.157 -11.339 670 2HA GLY 87 HA1 GLY 87 -4.134 -2.725 -9.966 671 H GLU 88 HN GLU 88 -1.893 -1.236 -10.940 672 HA GLU 88 HA GLU 88 -0.526 -0.748 -8.445 673 1HB GLU 88 HB2 GLU 88 0.862 -2.617 -9.029 674 2HB GLU 88 HB1 GLU 88 1.021 -2.061 -10.691 675 1HG GLU 88 HG2 GLU 88 1.956 -0.333 -8.398 676 2HG GLU 88 HG1 GLU 88 2.982 -1.628 -9.009 677 H PHE 89 HN PHE 89 0.540 1.251 -8.474 678 HA PHE 89 HA PHE 89 1.054 2.648 -10.952 679 1HB PHE 89 HB2 PHE 89 -0.639 4.284 -10.952 680 2HB PHE 89 HB1 PHE 89 -1.492 2.775 -10.673 681 HD1 PHE 89 HD1 PHE 89 -0.047 5.743 -8.950 682 HD2 PHE 89 HD2 PHE 89 -2.816 2.476 -8.713 683 HE1 PHE 89 HE1 PHE 89 -1.023 6.727 -6.891 684 HE2 PHE 89 HE2 PHE 89 -3.792 3.452 -6.659 685 HZ PHE 89 HZ PHE 89 -2.914 5.596 -5.757 686 H SER 90 HN SER 90 1.969 4.792 -10.561 687 HA SER 90 HA SER 90 2.935 5.174 -7.747 688 1HB SER 90 HB2 SER 90 5.080 5.933 -8.674 689 2HB SER 90 HB1 SER 90 4.750 4.267 -9.147 690 HG SER 90 HG SER 90 3.648 5.948 -10.919 691 H GLY 91 HN GLY 91 3.607 7.377 -7.279 692 1HA GLY 91 HA2 GLY 91 3.666 9.731 -8.191 693 2HA GLY 91 HA1 GLY 91 2.085 9.401 -8.895 694 H ALA 92 HN ALA 92 3.041 11.343 -6.755 695 HA ALA 92 HA ALA 92 1.752 10.442 -4.305 696 1HB ALA 92 HB3 ALA 92 3.061 12.943 -5.299 697 2HB ALA 92 HB2 ALA 92 1.997 13.090 -3.907 698 3HB ALA 92 HB1 ALA 92 3.399 12.019 -3.841 699 H ASN 93 HN ASN 93 -0.267 9.894 -5.792 700 HA ASN 93 HA ASN 93 -2.132 12.254 -5.727 701 1HB ASN 93 HB2 ASN 93 -1.645 11.356 -8.042 702 2HB ASN 93 HB1 ASN 93 -2.384 9.837 -7.532 703 1HD2 ASN 93 HD22 ASN 93 -4.807 12.687 -8.825 704 2HD2 ASN 93 HD21 ASN 93 -3.160 12.550 -9.210 705 H LYS 94 HN LYS 94 -2.791 11.770 -3.583 706 HA LYS 94 HA LYS 94 -3.536 9.157 -2.714 707 1HB LYS 94 HB2 LYS 94 -4.408 10.202 -0.774 708 2HB LYS 94 HB1 LYS 94 -2.964 11.084 -1.230 709 1HG LYS 94 HG2 LYS 94 -5.774 11.969 -1.970 710 2HG LYS 94 HG1 LYS 94 -4.916 12.509 -0.550 711 1HD LYS 94 HD2 LYS 94 -3.037 13.248 -2.092 712 2HD LYS 94 HD1 LYS 94 -4.175 12.991 -3.415 713 1HE LYS 94 HE2 LYS 94 -4.507 15.256 -2.914 714 2HE LYS 94 HE1 LYS 94 -5.792 14.474 -1.991 715 1HZ LYS 94 HZ2 LYS 94 -3.218 14.771 -0.665 716 2HZ LYS 94 HZ1 LYS 94 -4.102 16.197 -0.926 717 3HZ LYS 94 HZ3 LYS 94 -4.789 14.926 -0.039 718 H GLU 95 HN GLU 95 -5.445 11.688 -4.294 719 HA GLU 95 HA GLU 95 -8.014 10.553 -3.820 720 1HB GLU 95 HB2 GLU 95 -7.034 12.134 -6.218 721 2HB GLU 95 HB1 GLU 95 -8.720 11.874 -5.778 722 1HG GLU 95 HG2 GLU 95 -6.725 13.163 -3.907 723 2HG GLU 95 HG1 GLU 95 -7.731 14.091 -5.021 724 H LYS 96 HN LYS 96 -5.510 9.781 -6.125 725 HA LYS 96 HA LYS 96 -7.005 8.246 -7.999 726 1HB LYS 96 HB2 LYS 96 -4.599 9.030 -8.147 727 2HB LYS 96 HB1 LYS 96 -4.176 7.695 -7.093 728 1HG LYS 96 HG2 LYS 96 -4.893 6.072 -8.692 729 2HG LYS 96 HG1 LYS 96 -5.671 7.307 -9.689 730 1HD LYS 96 HD2 LYS 96 -3.487 8.340 -10.149 731 2HD LYS 96 HD1 LYS 96 -2.692 7.140 -9.131 732 1HE LYS 96 HE2 LYS 96 -4.315 6.491 -11.616 733 2HE LYS 96 HE1 LYS 96 -2.553 6.554 -11.553 734 1HZ LYS 96 HZ3 LYS 96 -3.334 4.953 -9.449 735 2HZ LYS 96 HZ2 LYS 96 -4.295 4.464 -10.762 736 3HZ LYS 96 HZ1 LYS 96 -2.601 4.455 -10.895 737 H LEU 97 HN LEU 97 -5.661 7.469 -4.854 738 HA LEU 97 HA LEU 97 -5.893 4.630 -4.934 739 1HB LEU 97 HB2 LEU 97 -6.257 6.625 -2.690 740 2HB LEU 97 HB1 LEU 97 -6.232 4.890 -2.430 741 HG LEU 97 HG LEU 97 -3.973 6.319 -3.833 742 1HD1 LEU 97 HD11 LEU 97 -4.352 7.314 -1.572 743 2HD1 LEU 97 HD13 LEU 97 -4.161 5.711 -0.868 744 3HD1 LEU 97 HD12 LEU 97 -2.809 6.478 -1.701 745 1HD2 LEU 97 HD23 LEU 97 -4.553 3.573 -3.361 746 2HD2 LEU 97 HD22 LEU 97 -3.037 4.246 -3.928 747 3HD2 LEU 97 HD21 LEU 97 -3.282 3.982 -2.210 748 H GLU 98 HN GLU 98 -8.164 7.208 -4.176 749 HA GLU 98 HA GLU 98 -10.335 5.582 -3.277 750 1HB GLU 98 HB2 GLU 98 -10.216 8.074 -3.043 751 2HB GLU 98 HB1 GLU 98 -10.507 8.209 -4.776 752 1HG GLU 98 HG2 GLU 98 -12.618 8.492 -3.564 753 2HG GLU 98 HG1 GLU 98 -12.665 6.993 -4.491 754 H ALA 99 HN ALA 99 -9.478 6.689 -6.558 755 HA ALA 99 HA ALA 99 -11.855 5.612 -7.748 756 1HB ALA 99 HB3 ALA 99 -9.174 6.351 -8.921 757 2HB ALA 99 HB2 ALA 99 -10.544 5.837 -9.907 758 3HB ALA 99 HB1 ALA 99 -10.654 7.305 -8.934 759 H THR 100 HN THR 100 -8.555 4.230 -7.427 760 HA THR 100 HA THR 100 -9.207 1.890 -8.958 761 HB THR 100 HB THR 100 -7.104 2.084 -6.788 762 HG1 THR 100 HG1 THR 100 -5.854 2.485 -8.856 763 1HG2 THR 100 HG23 THR 100 -7.572 0.263 -9.160 764 2HG2 THR 100 HG22 THR 100 -5.985 0.432 -8.409 765 3HG2 THR 100 HG21 THR 100 -7.358 -0.169 -7.474 766 H ILE 101 HN ILE 101 -9.500 2.647 -5.522 767 HA ILE 101 HA ILE 101 -10.107 -0.006 -4.621 768 HB ILE 101 HB ILE 101 -10.850 2.743 -3.556 769 1HG1 ILE 101 HG12 ILE 101 -8.974 0.669 -2.378 770 2HG1 ILE 101 HG11 ILE 101 -8.418 1.823 -3.588 771 1HG2 ILE 101 HG21 ILE 101 -11.510 -0.019 -2.524 772 2HG2 ILE 101 HG23 ILE 101 -11.325 1.340 -1.418 773 3HG2 ILE 101 HG22 ILE 101 -12.567 1.388 -2.669 774 1HD1 ILE 101 HD11 ILE 101 -9.161 3.678 -2.141 775 2HD1 ILE 101 HD13 ILE 101 -9.687 2.509 -0.930 776 3HD1 ILE 101 HD12 ILE 101 -7.977 2.658 -1.328 777 H ASN 102 HN ASN 102 -12.185 2.735 -5.557 778 HA ASN 102 HA ASN 102 -14.659 1.344 -5.319 779 1HB ASN 102 HB2 ASN 102 -14.354 3.843 -5.648 780 2HB ASN 102 HB1 ASN 102 -14.030 3.508 -7.350 781 1HD2 ASN 102 HD22 ASN 102 -17.521 3.890 -7.793 782 2HD2 ASN 102 HD21 ASN 102 -15.991 4.567 -8.078 783 H GLU 103 HN GLU 103 -12.262 1.529 -7.847 784 HA GLU 103 HA GLU 103 -13.800 0.271 -9.902 785 1HB GLU 103 HB2 GLU 103 -11.653 1.609 -10.166 786 2HB GLU 103 HB1 GLU 103 -10.793 0.190 -9.585 787 1HG GLU 103 HG2 GLU 103 -12.679 0.082 -11.955 788 2HG GLU 103 HG1 GLU 103 -10.952 0.396 -12.120 789 H LEU 104 HN LEU 104 -11.579 -1.020 -7.444 790 HA LEU 104 HA LEU 104 -12.132 -3.790 -8.387 791 1HB LEU 104 HB2 LEU 104 -10.159 -2.706 -6.371 792 2HB LEU 104 HB1 LEU 104 -10.328 -4.414 -6.758 793 HG LEU 104 HG LEU 104 -9.667 -2.250 -8.773 794 1HD1 LEU 104 HD11 LEU 104 -7.878 -4.217 -7.321 795 2HD1 LEU 104 HD13 LEU 104 -7.360 -3.199 -8.667 796 3HD1 LEU 104 HD12 LEU 104 -7.861 -2.462 -7.147 797 1HD2 LEU 104 HD21 LEU 104 -9.923 -5.260 -8.889 798 2HD2 LEU 104 HD23 LEU 104 -10.545 -4.056 -10.019 799 3HD2 LEU 104 HD22 LEU 104 -8.827 -4.431 -9.992 800 H VAL 105 HN VAL 105 -13.508 -1.672 -6.153 801 HA VAL 105 HA VAL 105 -13.822 -3.434 -3.904 802 HB VAL 105 HB VAL 105 -14.334 -0.928 -3.950 803 1HG1 VAL 105 HG11 VAL 105 -15.886 -1.295 -6.033 804 2HG1 VAL 105 HG13 VAL 105 -17.101 -1.742 -4.841 805 3HG1 VAL 105 HG12 VAL 105 -16.376 -0.135 -4.802 806 1HG2 VAL 105 HG21 VAL 105 -16.367 -2.869 -2.809 807 2HG2 VAL 105 HG23 VAL 105 -14.895 -2.309 -2.015 808 3HG2 VAL 105 HG22 VAL 105 -16.218 -1.182 -2.320 809 HA PRO 59 HA PRO 106 14.181 16.094 -14.354 810 1HB PRO 59 HB2 PRO 106 16.776 15.876 -12.859 811 2HB PRO 59 HB1 PRO 106 16.367 15.318 -14.495 812 1HG PRO 59 HG2 PRO 106 17.815 17.532 -14.091 813 2HG PRO 59 HG1 PRO 106 16.655 17.406 -15.426 814 1HD PRO 59 HD2 PRO 106 16.441 18.978 -12.900 815 2HD PRO 59 HD1 PRO 106 15.686 19.274 -14.481 816 H ALA 60 HN ALA 107 14.912 17.005 -11.005 817 HA ALA 60 HA ALA 107 14.013 14.345 -10.023 818 1HB ALA 60 HB1 ALA 107 15.983 15.451 -8.953 819 2HB ALA 60 HB3 ALA 107 14.931 16.776 -8.449 820 3HB ALA 60 HB2 ALA 107 14.673 15.151 -7.813 821 H THR 61 HN THR 108 11.899 14.038 -9.519 822 HA THR 61 HA THR 108 10.132 16.434 -9.278 823 HB THR 61 HB THR 108 9.362 13.512 -9.547 824 HG1 THR 61 HG1 THR 108 9.241 13.911 -11.716 825 1HG2 THR 61 HG23 THR 108 7.661 15.141 -8.645 826 2HG2 THR 61 HG22 THR 108 7.800 16.032 -10.159 827 3HG2 THR 61 HG21 THR 108 7.196 14.375 -10.160 828 H LEU 62 HN LEU 109 9.299 16.996 -7.326 829 HA LEU 62 HA LEU 109 10.085 15.642 -4.908 830 1HB LEU 62 HB2 LEU 109 8.031 17.796 -5.458 831 2HB LEU 62 HB1 LEU 109 8.403 17.219 -3.837 832 HG LEU 62 HG LEU 109 10.487 18.325 -5.746 833 1HD1 LEU 62 HD11 LEU 109 8.863 19.681 -3.579 834 2HD1 LEU 62 HD13 LEU 109 10.366 20.352 -4.211 835 3HD1 LEU 62 HD12 LEU 109 8.980 20.133 -5.280 836 1HD2 LEU 62 HD21 LEU 109 10.494 17.374 -2.885 837 2HD2 LEU 62 HD23 LEU 109 11.695 17.121 -4.149 838 3HD2 LEU 62 HD22 LEU 109 11.583 18.681 -3.342 839 H LYS 63 HN LYS 110 7.249 15.507 -6.946 840 HA LYS 63 HA LYS 110 5.428 14.241 -5.161 841 1HB LYS 63 HB2 LYS 110 5.703 13.885 -8.163 842 2HB LYS 63 HB1 LYS 110 4.277 13.485 -7.210 843 1HG LYS 63 HG2 LYS 110 5.464 16.246 -7.618 844 2HG LYS 63 HG1 LYS 110 3.943 15.648 -8.275 845 1HD LYS 63 HD2 LYS 110 3.311 15.237 -5.761 846 2HD LYS 63 HD1 LYS 110 4.621 16.370 -5.429 847 1HE LYS 63 HE2 LYS 110 3.558 18.055 -6.862 848 2HE LYS 63 HE1 LYS 110 2.252 16.930 -7.234 849 1HZ LYS 63 HZ3 LYS 110 2.118 16.829 -4.633 850 2HZ LYS 63 HZ2 LYS 110 2.820 18.372 -4.751 851 3HZ LYS 63 HZ1 LYS 110 1.331 18.051 -5.504 852 H ILE 64 HN ILE 111 8.281 13.089 -6.629 853 HA ILE 64 HA ILE 111 7.657 10.272 -5.775 854 HB ILE 64 HB ILE 111 9.215 11.233 -8.199 855 1HG1 ILE 64 HG12 ILE 111 6.802 11.234 -8.578 856 2HG1 ILE 64 HG11 ILE 111 7.540 9.909 -9.468 857 1HG2 ILE 64 HG22 ILE 111 8.969 8.505 -6.936 858 2HG2 ILE 64 HG21 ILE 111 9.373 8.708 -8.641 859 3HG2 ILE 64 HG23 ILE 111 10.431 9.377 -7.400 860 1HD1 ILE 64 HD13 ILE 111 6.959 8.571 -7.210 861 2HD1 ILE 64 HD12 ILE 111 5.730 9.826 -7.093 862 3HD1 ILE 64 HD11 ILE 111 5.778 8.770 -8.503 863 H CYS 65 HN CYS 112 9.349 9.293 -4.571 864 HA CYS 65 HA CYS 112 11.705 11.022 -3.958 865 1HB CYS 65 HB2 CYS 112 11.106 8.415 -2.552 866 2HB CYS 65 HB1 CYS 112 11.993 9.810 -1.952 867 H SER 66 HN SER 113 13.719 10.415 -4.780 868 HA SER 66 HA SER 113 13.786 8.137 -6.626 869 1HB SER 66 HB2 SER 113 15.983 10.046 -5.785 870 2HB SER 66 HB1 SER 113 16.093 8.879 -7.100 871 HG SER 66 HG SER 113 14.224 9.953 -8.003 872 H TRP 67 HN TRP 114 14.858 6.197 -6.354 873 HA TRP 67 HA TRP 114 15.486 5.358 -3.641 874 1HB TRP 67 HB2 TRP 114 15.778 3.985 -6.328 875 2HB TRP 67 HB1 TRP 114 16.200 3.215 -4.798 876 HD1 TRP 67 HD1 TRP 114 13.169 5.241 -6.084 877 HE1 TRP 67 HE1 TRP 114 11.019 4.057 -5.285 878 HE3 TRP 67 HE3 TRP 114 15.200 1.313 -3.566 879 HZ2 TRP 67 HZ2 TRP 114 10.288 1.752 -3.748 880 HZ3 TRP 67 HZ3 TRP 114 13.774 -0.355 -2.444 881 HH2 TRP 67 HH2 TRP 114 11.310 -0.144 -2.542 882 H ASN 68 HN ASN 115 17.240 7.003 -6.026 883 HA ASN 68 HA ASN 115 19.846 5.955 -5.843 884 1HB ASN 68 HB2 ASN 115 18.914 8.839 -6.027 885 2HB ASN 68 HB1 ASN 115 20.609 8.358 -6.164 886 1HD2 ASN 68 HD22 ASN 115 18.658 6.304 -9.022 887 2HD2 ASN 68 HD21 ASN 115 18.517 5.934 -7.371 888 H VAL 69 HN VAL 116 17.885 7.197 -3.356 889 HA VAL 69 HA VAL 116 19.862 8.360 -1.637 890 HB VAL 69 HB VAL 116 18.226 7.779 0.192 891 1HG1 VAL 69 HG13 VAL 116 18.091 9.855 -1.215 892 2HG1 VAL 69 HG12 VAL 116 16.973 9.005 -2.281 893 3HG1 VAL 69 HG11 VAL 116 16.527 9.321 -0.604 894 1HG2 VAL 69 HG21 VAL 116 17.427 5.664 -0.989 895 2HG2 VAL 69 HG23 VAL 116 16.144 6.701 -0.375 896 3HG2 VAL 69 HG22 VAL 116 16.538 6.712 -2.090 897 H ASP 70 HN ASP 117 21.184 7.400 -0.055 898 HA ASP 70 HA ASP 117 22.163 4.780 -0.569 899 1HB ASP 70 HB2 ASP 117 22.359 6.515 1.909 900 2HB ASP 70 HB1 ASP 117 23.225 4.990 1.716 901 H GLY 71 HN GLY 118 19.728 5.962 1.714 902 1HA GLY 71 HA2 GLY 118 17.969 4.730 2.701 903 2HA GLY 71 HA1 GLY 118 18.582 3.280 1.903 No H/Q in entry = 903 Start of MODEL 19 1 1H MET 1 HT2 MET 1 -8.005 -3.115 8.731 2 2H MET 1 HT1 MET 1 -9.419 -2.656 9.554 3 3H MET 1 HT3 MET 1 -9.044 -1.951 8.061 4 HA MET 1 HA MET 1 -8.433 -0.317 9.570 5 1HB MET 1 HB2 MET 1 -7.158 -2.559 11.178 6 2HB MET 1 HB1 MET 1 -7.104 -0.849 11.600 7 1HG MET 1 HG2 MET 1 -9.639 -2.490 11.323 8 2HG MET 1 HG1 MET 1 -8.879 -2.054 12.848 9 1HE MET 1 HE2 MET 1 -10.885 -0.963 9.778 10 2HE MET 1 HE1 MET 1 -11.855 -1.390 11.187 11 3HE MET 1 HE3 MET 1 -11.897 0.259 10.544 12 H VAL 2 HN VAL 2 -5.732 -0.269 10.586 13 HA VAL 2 HA VAL 2 -4.250 -0.374 7.990 14 HB VAL 2 HB VAL 2 -3.677 1.020 10.623 15 1HG1 VAL 2 HG12 VAL 2 -2.109 0.849 8.040 16 2HG1 VAL 2 HG11 VAL 2 -1.875 2.149 9.208 17 3HG1 VAL 2 HG13 VAL 2 -1.549 0.481 9.671 18 1HG2 VAL 2 HG23 VAL 2 -5.524 1.921 9.173 19 2HG2 VAL 2 HG22 VAL 2 -4.177 3.039 9.376 20 3HG2 VAL 2 HG21 VAL 2 -4.341 2.125 7.879 21 H LYS 3 HN LYS 3 -2.490 -1.765 7.743 22 HA LYS 3 HA LYS 3 -1.515 -3.265 10.152 23 1HB LYS 3 HB2 LYS 3 -3.043 -4.679 8.733 24 2HB LYS 3 HB1 LYS 3 -1.959 -4.419 7.372 25 1HG LYS 3 HG2 LYS 3 -1.211 -6.481 8.204 26 2HG LYS 3 HG1 LYS 3 -0.112 -5.356 8.993 27 1HD LYS 3 HD2 LYS 3 -1.475 -5.399 11.026 28 2HD LYS 3 HD1 LYS 3 -2.650 -6.445 10.233 29 1HE LYS 3 HE2 LYS 3 -0.907 -8.182 9.954 30 2HE LYS 3 HE1 LYS 3 0.257 -7.136 10.768 31 1HZ LYS 3 HZ2 LYS 3 -1.507 -7.105 12.627 32 2HZ LYS 3 HZ1 LYS 3 -2.096 -8.512 11.880 33 3HZ LYS 3 HZ3 LYS 3 -0.506 -8.466 12.467 34 H GLN 4 HN GLN 4 0.658 -3.030 10.357 35 HA GLN 4 HA GLN 4 2.192 -1.930 8.049 36 1HB GLN 4 HB2 GLN 4 2.384 -0.787 10.244 37 2HB GLN 4 HB1 GLN 4 2.979 -2.283 10.962 38 1HG GLN 4 HG2 GLN 4 4.901 -2.253 9.365 39 2HG GLN 4 HG1 GLN 4 4.317 -0.713 8.734 40 1HE2 GLN 4 HE22 GLN 4 6.504 0.704 11.151 41 2HE2 GLN 4 HE21 GLN 4 6.273 0.384 9.499 42 H ILE 5 HN ILE 5 3.365 -3.327 6.857 43 HA ILE 5 HA ILE 5 3.947 -6.048 7.937 44 HB ILE 5 HB ILE 5 4.309 -4.990 5.128 45 1HG1 ILE 5 HG12 ILE 5 1.963 -4.720 5.715 46 2HG1 ILE 5 HG11 ILE 5 2.132 -6.117 4.657 47 1HG2 ILE 5 HG23 ILE 5 4.148 -7.750 6.343 48 2HG2 ILE 5 HG22 ILE 5 4.098 -7.427 4.618 49 3HG2 ILE 5 HG21 ILE 5 5.535 -7.013 5.542 50 1HD1 ILE 5 HD12 ILE 5 2.264 -7.521 6.822 51 2HD1 ILE 5 HD11 ILE 5 1.651 -6.084 7.637 52 3HD1 ILE 5 HD13 ILE 5 0.692 -6.863 6.383 53 H GLU 6 HN GLU 6 5.948 -6.133 8.930 54 HA GLU 6 HA GLU 6 8.095 -4.331 7.963 55 1HB GLU 6 HB2 GLU 6 8.037 -6.246 10.314 56 2HB GLU 6 HB1 GLU 6 9.312 -5.081 9.949 57 1HG GLU 6 HG2 GLU 6 8.021 -3.922 11.519 58 2HG GLU 6 HG1 GLU 6 7.402 -3.313 9.987 59 H SER 7 HN SER 7 6.993 -7.403 7.182 60 HA SER 7 HA SER 7 9.637 -8.041 6.001 61 1HB SER 7 HB2 SER 7 9.651 -10.325 6.940 62 2HB SER 7 HB1 SER 7 9.735 -9.107 8.217 63 HG SER 7 HG SER 7 8.181 -10.695 8.698 64 H LYS 8 HN LYS 8 9.508 -9.614 4.329 65 HA LYS 8 HA LYS 8 7.074 -9.605 2.817 66 1HB LYS 8 HB2 LYS 8 9.426 -9.954 1.905 67 2HB LYS 8 HB1 LYS 8 9.332 -11.591 2.558 68 1HG LYS 8 HG2 LYS 8 7.285 -11.993 1.226 69 2HG LYS 8 HG1 LYS 8 7.441 -10.385 0.529 70 1HD LYS 8 HD2 LYS 8 8.398 -12.043 -1.000 71 2HD LYS 8 HD1 LYS 8 9.675 -11.007 -0.367 72 1HE LYS 8 HE2 LYS 8 10.597 -12.701 0.923 73 2HE LYS 8 HE1 LYS 8 9.057 -13.532 1.133 74 1HZ LYS 8 HZ1 LYS 8 9.203 -14.024 -1.325 75 2HZ LYS 8 HZ3 LYS 8 10.822 -13.525 -1.241 76 3HZ LYS 8 HZ2 LYS 8 10.297 -14.853 -0.322 77 H THR 9 HN THR 9 8.465 -11.795 5.181 78 HA THR 9 HA THR 9 6.815 -14.045 4.710 79 HB THR 9 HB THR 9 7.703 -13.031 7.422 80 HG1 THR 9 HG1 THR 9 9.521 -14.407 6.982 81 1HG2 THR 9 HG21 THR 9 6.068 -14.890 7.422 82 2HG2 THR 9 HG23 THR 9 7.139 -15.818 6.374 83 3HG2 THR 9 HG22 THR 9 7.644 -15.412 8.015 84 H ALA 10 HN ALA 10 6.278 -11.200 6.785 85 HA ALA 10 HA ALA 10 3.622 -12.028 7.590 86 1HB ALA 10 HB3 ALA 10 5.110 -9.394 7.680 87 2HB ALA 10 HB2 ALA 10 3.416 -9.504 8.162 88 3HB ALA 10 HB1 ALA 10 4.643 -10.434 9.023 89 H PHE 11 HN PHE 11 4.937 -10.267 4.856 90 HA PHE 11 HA PHE 11 2.551 -9.024 3.918 91 1HB PHE 11 HB2 PHE 11 4.913 -8.744 2.990 92 2HB PHE 11 HB1 PHE 11 4.714 -10.299 2.209 93 HD1 PHE 11 HD1 PHE 11 2.842 -7.063 2.586 94 HD2 PHE 11 HD2 PHE 11 3.955 -10.322 0.006 95 HE1 PHE 11 HE1 PHE 11 1.683 -5.964 0.691 96 HE2 PHE 11 HE2 PHE 11 2.788 -9.223 -1.881 97 HZ PHE 11 HZ PHE 11 1.655 -7.046 -1.542 98 H GLN 12 HN GLN 12 3.920 -12.242 3.346 99 HA GLN 12 HA GLN 12 1.877 -13.196 1.574 100 1HB GLN 12 HB2 GLN 12 3.648 -14.697 3.534 101 2HB GLN 12 HB1 GLN 12 2.715 -15.444 2.238 102 1HG GLN 12 HG2 GLN 12 4.889 -13.361 1.840 103 2HG GLN 12 HG1 GLN 12 5.086 -15.096 1.595 104 1HE2 GLN 12 HE22 GLN 12 3.637 -12.940 -1.412 105 2HE2 GLN 12 HE21 GLN 12 4.476 -12.293 -0.085 106 H GLU 13 HN GLU 13 2.291 -13.399 5.097 107 HA GLU 13 HA GLU 13 -0.073 -14.926 5.634 108 1HB GLU 13 HB2 GLU 13 1.487 -12.963 7.350 109 2HB GLU 13 HB1 GLU 13 0.208 -13.996 7.969 110 1HG GLU 13 HG2 GLU 13 2.717 -14.994 6.591 111 2HG GLU 13 HG1 GLU 13 2.474 -14.968 8.337 112 H ALA 14 HN ALA 14 0.503 -11.462 5.299 113 HA ALA 14 HA ALA 14 -2.089 -10.667 6.252 114 1HB ALA 14 HB1 ALA 14 -0.036 -9.178 5.951 115 2HB ALA 14 HB3 ALA 14 -0.416 -9.168 4.228 116 3HB ALA 14 HB2 ALA 14 -1.564 -8.504 5.391 117 H LEU 15 HN LEU 15 -0.796 -11.405 3.016 118 HA LEU 15 HA LEU 15 -3.143 -10.696 1.573 119 1HB LEU 15 HB2 LEU 15 -1.018 -12.782 1.022 120 2HB LEU 15 HB1 LEU 15 -2.269 -12.335 -0.140 121 HG LEU 15 HG LEU 15 -0.414 -10.313 1.134 122 1HD1 LEU 15 HD13 LEU 15 -0.101 -11.854 -1.455 123 2HD1 LEU 15 HD12 LEU 15 0.809 -10.398 -1.065 124 3HD1 LEU 15 HD11 LEU 15 1.000 -11.842 -0.080 125 1HD2 LEU 15 HD21 LEU 15 -2.455 -10.264 -1.084 126 2HD2 LEU 15 HD23 LEU 15 -2.182 -9.096 0.206 127 3HD2 LEU 15 HD22 LEU 15 -1.078 -9.166 -1.162 128 H ASP 16 HN ASP 16 -2.149 -13.711 3.153 129 HA ASP 16 HA ASP 16 -4.461 -15.192 2.300 130 1HB ASP 16 HB2 ASP 16 -2.304 -16.202 3.125 131 2HB ASP 16 HB1 ASP 16 -2.775 -15.724 4.760 132 H ALA 17 HN ALA 17 -3.728 -13.294 5.210 133 HA ALA 17 HA ALA 17 -6.077 -14.028 6.682 134 1HB ALA 17 HB3 ALA 17 -4.343 -11.548 6.803 135 2HB ALA 17 HB2 ALA 17 -5.606 -11.924 7.976 136 3HB ALA 17 HB1 ALA 17 -4.204 -12.983 7.818 137 H ALA 18 HN ALA 18 -5.470 -11.490 4.302 138 HA ALA 18 HA ALA 18 -7.891 -10.017 4.721 139 1HB ALA 18 HB3 ALA 18 -6.172 -10.386 2.260 140 2HB ALA 18 HB2 ALA 18 -7.515 -9.246 2.351 141 3HB ALA 18 HB1 ALA 18 -6.116 -9.047 3.406 142 H GLY 19 HN GLY 19 -7.230 -12.992 2.962 143 1HA GLY 19 HA2 GLY 19 -8.718 -14.533 1.998 144 2HA GLY 19 HA1 GLY 19 -10.024 -13.670 2.813 145 H ASP 20 HN ASP 20 -11.509 -13.175 1.258 146 HA ASP 20 HA ASP 20 -10.629 -12.478 -1.472 147 1HB ASP 20 HB2 ASP 20 -13.400 -12.777 -0.285 148 2HB ASP 20 HB1 ASP 20 -13.046 -12.510 -1.993 149 H LYS 21 HN LYS 21 -10.883 -10.715 1.295 150 HA LYS 21 HA LYS 21 -12.360 -8.402 0.304 151 1HB LYS 21 HB2 LYS 21 -10.406 -8.673 2.602 152 2HB LYS 21 HB1 LYS 21 -11.417 -7.263 2.296 153 1HG LYS 21 HG2 LYS 21 -13.421 -8.824 2.389 154 2HG LYS 21 HG1 LYS 21 -12.327 -10.059 3.010 155 1HD LYS 21 HD2 LYS 21 -12.575 -7.329 4.292 156 2HD LYS 21 HD1 LYS 21 -13.596 -8.686 4.759 157 1HE LYS 21 HE2 LYS 21 -10.565 -8.618 4.880 158 2HE LYS 21 HE1 LYS 21 -11.662 -8.542 6.253 159 1HZ LYS 21 HZ3 LYS 21 -12.563 -10.741 5.282 160 2HZ LYS 21 HZ2 LYS 21 -11.059 -10.817 4.490 161 3HZ LYS 21 HZ1 LYS 21 -11.128 -10.756 6.187 162 H LEU 22 HN LEU 22 -11.415 -6.385 -0.392 163 HA LEU 22 HA LEU 22 -9.139 -6.614 -2.050 164 1HB LEU 22 HB2 LEU 22 -10.748 -4.349 -0.942 165 2HB LEU 22 HB1 LEU 22 -9.188 -3.936 -1.632 166 HG LEU 22 HG LEU 22 -11.397 -5.442 -3.060 167 1HD1 LEU 22 HD12 LEU 22 -10.330 -2.607 -3.276 168 2HD1 LEU 22 HD11 LEU 22 -11.485 -3.322 -4.394 169 3HD1 LEU 22 HD13 LEU 22 -11.930 -3.077 -2.708 170 1HD2 LEU 22 HD23 LEU 22 -8.511 -4.909 -3.652 171 2HD2 LEU 22 HD22 LEU 22 -9.573 -6.175 -4.274 172 3HD2 LEU 22 HD21 LEU 22 -9.623 -4.562 -4.974 173 H VAL 23 HN VAL 23 -7.056 -5.572 -1.862 174 HA VAL 23 HA VAL 23 -6.087 -4.987 0.862 175 HB VAL 23 HB VAL 23 -4.774 -7.081 -0.906 176 1HG1 VAL 23 HG12 VAL 23 -4.117 -5.877 1.790 177 2HG1 VAL 23 HG11 VAL 23 -3.474 -7.440 1.289 178 3HG1 VAL 23 HG13 VAL 23 -3.084 -5.988 0.366 179 1HG2 VAL 23 HG23 VAL 23 -6.399 -7.325 1.641 180 2HG2 VAL 23 HG22 VAL 23 -6.805 -7.998 0.060 181 3HG2 VAL 23 HG21 VAL 23 -5.425 -8.627 0.960 182 H VAL 24 HN VAL 24 -5.305 -2.979 0.462 183 HA VAL 24 HA VAL 24 -3.821 -2.482 -2.083 184 HB VAL 24 HB VAL 24 -4.865 -0.526 0.002 185 1HG1 VAL 24 HG13 VAL 24 -2.831 0.200 -1.352 186 2HG1 VAL 24 HG12 VAL 24 -3.831 0.031 -2.794 187 3HG1 VAL 24 HG11 VAL 24 -4.259 1.214 -1.561 188 1HG2 VAL 24 HG21 VAL 24 -5.942 -1.480 -2.652 189 2HG2 VAL 24 HG23 VAL 24 -6.760 -1.426 -1.090 190 3HG2 VAL 24 HG22 VAL 24 -6.419 0.070 -1.959 191 H VAL 25 HN VAL 25 -1.625 -1.834 -1.965 192 HA VAL 25 HA VAL 25 -0.372 -1.951 0.769 193 HB VAL 25 HB VAL 25 0.857 -2.928 -1.822 194 1HG1 VAL 25 HG12 VAL 25 2.398 -2.209 0.025 195 2HG1 VAL 25 HG11 VAL 25 1.632 -3.412 1.064 196 3HG1 VAL 25 HG13 VAL 25 2.522 -3.926 -0.366 197 1HG2 VAL 25 HG23 VAL 25 -1.156 -4.263 -1.130 198 2HG2 VAL 25 HG22 VAL 25 0.343 -5.182 -1.058 199 3HG2 VAL 25 HG21 VAL 25 -0.376 -4.558 0.423 200 H ASP 26 HN ASP 26 0.642 -0.113 1.278 201 HA ASP 26 HA ASP 26 1.400 1.796 -0.891 202 1HB ASP 26 HB2 ASP 26 0.013 2.624 1.004 203 2HB ASP 26 HB1 ASP 26 1.299 2.186 2.125 204 H PHE 27 HN PHE 27 3.522 1.863 -1.493 205 HA PHE 27 HA PHE 27 5.584 0.597 0.264 206 1HB PHE 27 HB2 PHE 27 5.480 1.257 -2.684 207 2HB PHE 27 HB1 PHE 27 7.013 0.897 -1.881 208 HD1 PHE 27 HD1 PHE 27 7.373 -1.300 -0.798 209 HD2 PHE 27 HD2 PHE 27 3.879 -0.477 -3.156 210 HE1 PHE 27 HE1 PHE 27 6.930 -3.734 -0.984 211 HE2 PHE 27 HE2 PHE 27 3.441 -2.911 -3.341 212 HZ PHE 27 HZ PHE 27 4.961 -4.539 -2.260 213 H SER 28 HN SER 28 4.396 3.363 0.577 214 HA SER 28 HA SER 28 6.248 5.323 -0.259 215 1HB SER 28 HB2 SER 28 4.651 5.294 2.315 216 2HB SER 28 HB1 SER 28 5.367 6.710 1.552 217 HG SER 28 HG SER 28 3.031 6.114 1.127 218 H ALA 29 HN ALA 29 8.037 6.257 0.717 219 HA ALA 29 HA ALA 29 9.583 4.468 2.474 220 1HB ALA 29 HB3 ALA 29 10.137 6.916 0.828 221 2HB ALA 29 HB2 ALA 29 11.210 6.592 2.187 222 3HB ALA 29 HB1 ALA 29 11.030 5.401 0.898 223 H THR 30 HN THR 30 9.608 4.758 4.685 224 HA THR 30 HA THR 30 7.964 6.797 5.859 225 HB THR 30 HB THR 30 8.397 4.671 7.022 226 HG1 THR 30 HG1 THR 30 8.386 7.016 8.062 227 1HG2 THR 30 HG21 THR 30 10.865 4.650 6.185 228 2HG2 THR 30 HG23 THR 30 11.193 5.611 7.627 229 3HG2 THR 30 HG22 THR 30 10.512 3.992 7.785 230 H TRP 31 HN TRP 31 11.389 6.591 5.073 231 HA TRP 31 HA TRP 31 12.122 8.957 6.622 232 1HB TRP 31 HB2 TRP 31 14.245 8.812 5.408 233 2HB TRP 31 HB1 TRP 31 13.765 7.231 6.025 234 HD1 TRP 31 HD1 TRP 31 13.249 5.364 4.327 235 HE1 TRP 31 HE1 TRP 31 13.471 5.149 1.769 236 HE3 TRP 31 HE3 TRP 31 13.912 10.263 3.097 237 HZ2 TRP 31 HZ2 TRP 31 13.839 6.842 -0.497 238 HZ3 TRP 31 HZ3 TRP 31 14.167 10.941 0.730 239 HH2 TRP 31 HH2 TRP 31 14.132 9.236 -1.068 240 H CYS 32 HN CYS 32 10.630 8.520 3.522 241 HA CYS 32 HA CYS 32 11.601 11.118 2.505 242 1HB CYS 32 HB2 CYS 32 11.109 9.057 1.049 243 2HB CYS 32 HB1 CYS 32 9.407 9.391 1.323 244 H GLY 33 HN GLY 33 10.724 12.918 3.345 245 1HA GLY 33 HA2 GLY 33 8.375 13.004 4.920 246 2HA GLY 33 HA1 GLY 33 9.143 14.414 4.197 247 HA PRO 34 HA PRO 34 6.155 14.931 0.967 248 1HB PRO 34 HB2 PRO 34 7.521 13.219 -1.056 249 2HB PRO 34 HB1 PRO 34 7.029 14.918 -1.170 250 1HG PRO 34 HG2 PRO 34 9.632 14.133 -0.859 251 2HG PRO 34 HG1 PRO 34 9.017 15.686 -0.281 252 1HD PRO 34 HD2 PRO 34 9.821 13.309 1.283 253 2HD PRO 34 HD1 PRO 34 9.650 14.992 1.828 254 H ALA 35 HN ALA 35 7.320 11.567 1.033 255 HA ALA 35 HA ALA 35 4.759 10.494 0.130 256 1HB ALA 35 HB2 ALA 35 7.281 9.510 0.095 257 2HB ALA 35 HB1 ALA 35 6.707 8.733 1.565 258 3HB ALA 35 HB3 ALA 35 5.860 8.468 0.039 259 H LYS 36 HN LYS 36 6.478 10.721 3.245 260 HA LYS 36 HA LYS 36 4.524 9.373 4.818 261 1HB LYS 36 HB2 LYS 36 6.827 10.060 5.594 262 2HB LYS 36 HB1 LYS 36 6.231 11.718 5.704 263 1HG LYS 36 HG2 LYS 36 4.422 10.901 7.242 264 2HG LYS 36 HG1 LYS 36 5.185 9.311 7.217 265 1HD LYS 36 HD2 LYS 36 7.292 10.351 8.056 266 2HD LYS 36 HD1 LYS 36 6.441 11.891 8.183 267 1HE LYS 36 HE2 LYS 36 4.858 10.935 9.774 268 2HE LYS 36 HE1 LYS 36 5.601 9.344 9.596 269 1HZ LYS 36 HZ2 LYS 36 7.650 11.100 10.190 270 2HZ LYS 36 HZ1 LYS 36 6.383 11.493 11.255 271 3HZ LYS 36 HZ3 LYS 36 6.989 9.909 11.203 272 H MET 37 HN MET 37 4.727 12.639 3.576 273 HA MET 37 HA MET 37 2.706 13.874 5.144 274 1HB MET 37 HB2 MET 37 4.285 15.022 3.536 275 2HB MET 37 HB1 MET 37 3.267 14.432 2.221 276 1HG MET 37 HG2 MET 37 1.311 15.564 3.288 277 2HG MET 37 HG1 MET 37 2.401 16.239 4.495 278 1HE MET 37 HE3 MET 37 0.670 18.023 3.275 279 2HE MET 37 HE2 MET 37 2.055 18.887 3.946 280 3HE MET 37 HE1 MET 37 1.481 19.278 2.326 281 H ILE 38 HN ILE 38 2.490 11.687 2.405 282 HA ILE 38 HA ILE 38 -0.367 12.190 2.004 283 HB ILE 38 HB ILE 38 1.119 9.806 0.884 284 1HG1 ILE 38 HG12 ILE 38 1.109 12.616 -0.275 285 2HG1 ILE 38 HG11 ILE 38 2.501 11.865 0.508 286 1HG2 ILE 38 HG23 ILE 38 -1.170 11.550 -0.090 287 2HG2 ILE 38 HG22 ILE 38 -0.453 10.240 -1.024 288 3HG2 ILE 38 HG21 ILE 38 -1.286 9.889 0.480 289 1HD1 ILE 38 HD11 ILE 38 2.154 9.937 -1.198 290 2HD1 ILE 38 HD13 ILE 38 1.175 11.106 -2.084 291 3HD1 ILE 38 HD12 ILE 38 2.876 11.437 -1.771 292 H LYS 39 HN LYS 39 1.309 10.413 4.365 293 HA LYS 39 HA LYS 39 -0.217 8.034 4.316 294 1HB LYS 39 HB2 LYS 39 0.590 7.453 6.427 295 2HB LYS 39 HB1 LYS 39 1.871 8.425 5.722 296 1HG LYS 39 HG2 LYS 39 1.432 10.257 7.143 297 2HG LYS 39 HG1 LYS 39 -0.184 9.696 7.554 298 1HD LYS 39 HD2 LYS 39 2.378 8.287 8.341 299 2HD LYS 39 HD1 LYS 39 1.466 9.368 9.391 300 1HE LYS 39 HE2 LYS 39 0.478 7.413 10.081 301 2HE LYS 39 HE1 LYS 39 -0.516 7.639 8.640 302 1HZ LYS 39 HZ1 LYS 39 1.819 6.443 7.787 303 2HZ LYS 39 HZ3 LYS 39 1.380 5.616 9.201 304 3HZ LYS 39 HZ2 LYS 39 0.282 5.726 7.908 305 HA PRO 40 HA PRO 40 -3.323 10.206 7.390 306 1HB PRO 40 HB2 PRO 40 -3.806 12.665 5.783 307 2HB PRO 40 HB1 PRO 40 -3.677 12.477 7.543 308 1HG PRO 40 HG2 PRO 40 -1.731 13.661 6.096 309 2HG PRO 40 HG1 PRO 40 -1.365 12.687 7.527 310 1HD PRO 40 HD2 PRO 40 -1.062 11.979 4.645 311 2HD PRO 40 HD1 PRO 40 -0.039 11.500 6.012 312 H PHE 41 HN PHE 41 -3.356 10.756 3.850 313 HA PHE 41 HA PHE 41 -6.211 10.265 3.615 314 1HB PHE 41 HB2 PHE 41 -3.948 10.161 1.594 315 2HB PHE 41 HB1 PHE 41 -5.643 9.935 1.186 316 HD1 PHE 41 HD2 PHE 41 -3.284 12.326 2.790 317 HD2 PHE 41 HD1 PHE 41 -7.053 11.773 0.815 318 HE1 PHE 41 HE2 PHE 41 -3.587 14.786 2.686 319 HE2 PHE 41 HE1 PHE 41 -7.363 14.234 0.710 320 HZ PHE 41 HZ PHE 41 -5.626 15.741 1.641 321 H PHE 42 HN PHE 42 -3.316 8.299 2.861 322 HA PHE 42 HA PHE 42 -4.699 5.890 2.191 323 1HB PHE 42 HB2 PHE 42 -2.285 6.306 1.737 324 2HB PHE 42 HB1 PHE 42 -1.956 6.264 3.469 325 HD1 PHE 42 HD1 PHE 42 -3.207 4.219 0.615 326 HD2 PHE 42 HD2 PHE 42 -1.652 4.187 4.618 327 HE1 PHE 42 HE1 PHE 42 -2.985 1.755 0.503 328 HE2 PHE 42 HE2 PHE 42 -1.428 1.713 4.506 329 HZ PHE 42 HZ PHE 42 -2.096 0.498 2.447 330 H HIS 43 HN HIS 43 -3.345 7.047 5.241 331 HA HIS 43 HA HIS 43 -4.194 4.817 6.839 332 1HB HIS 43 HB2 HIS 43 -2.375 6.329 7.504 333 2HB HIS 43 HB1 HIS 43 -3.513 7.669 7.614 334 HD1 HIS 43 HD1 HIS 43 -2.383 4.600 9.413 335 HD2 HIS 43 HD2 HIS 43 -5.296 7.539 9.820 336 HE1 HIS 43 HE1 HIS 43 -3.416 4.271 11.706 337 H SER 44 HN SER 44 -5.592 8.073 6.349 338 HA SER 44 HA SER 44 -7.783 7.726 8.117 339 1HB SER 44 HB2 SER 44 -7.609 9.421 5.616 340 2HB SER 44 HB1 SER 44 -8.902 9.519 6.799 341 HG SER 44 HG SER 44 -7.298 11.045 7.264 342 H LEU 45 HN LEU 45 -7.427 6.900 4.679 343 HA LEU 45 HA LEU 45 -10.140 6.245 4.188 344 1HB LEU 45 HB2 LEU 45 -7.604 5.216 2.937 345 2HB LEU 45 HB1 LEU 45 -9.193 4.761 2.351 346 HG LEU 45 HG LEU 45 -8.452 7.671 2.687 347 1HD1 LEU 45 HD12 LEU 45 -6.733 6.645 1.231 348 2HD1 LEU 45 HD11 LEU 45 -8.007 5.960 0.222 349 3HD1 LEU 45 HD13 LEU 45 -7.800 7.709 0.311 350 1HD2 LEU 45 HD21 LEU 45 -10.494 6.139 1.055 351 2HD2 LEU 45 HD23 LEU 45 -10.795 7.330 2.319 352 3HD2 LEU 45 HD22 LEU 45 -10.127 7.840 0.777 353 H SER 46 HN SER 46 -7.700 4.445 5.905 354 HA SER 46 HA SER 46 -8.722 1.843 5.589 355 1HB SER 46 HB2 SER 46 -7.603 3.080 8.133 356 2HB SER 46 HB1 SER 46 -7.749 1.356 7.806 357 HG SER 46 HG SER 46 -6.072 1.453 6.519 358 H GLU 47 HN GLU 47 -9.862 4.503 7.649 359 HA GLU 47 HA GLU 47 -12.023 2.825 8.747 360 1HB GLU 47 HB2 GLU 47 -11.390 5.780 9.057 361 2HB GLU 47 HB1 GLU 47 -12.724 4.952 9.865 362 1HG GLU 47 HG2 GLU 47 -9.842 4.063 10.100 363 2HG GLU 47 HG1 GLU 47 -10.620 5.142 11.258 364 H LYS 48 HN LYS 48 -11.531 4.887 5.989 365 HA LYS 48 HA LYS 48 -14.350 5.580 5.658 366 1HB LYS 48 HB2 LYS 48 -12.443 6.869 4.564 367 2HB LYS 48 HB1 LYS 48 -12.235 5.486 3.485 368 1HG LYS 48 HG2 LYS 48 -14.636 5.690 2.822 369 2HG LYS 48 HG1 LYS 48 -14.747 7.148 3.806 370 1HD LYS 48 HD2 LYS 48 -12.984 8.206 2.440 371 2HD LYS 48 HD1 LYS 48 -12.888 6.753 1.446 372 1HE LYS 48 HE2 LYS 48 -14.331 8.424 0.363 373 2HE LYS 48 HE1 LYS 48 -15.282 7.020 0.851 374 1HZ LYS 48 HZ1 LYS 48 -14.994 9.290 2.696 375 2HZ LYS 48 HZ3 LYS 48 -16.108 9.391 1.423 376 3HZ LYS 48 HZ2 LYS 48 -16.247 8.151 2.578 377 H TYR 49 HN TYR 49 -12.128 3.100 4.580 378 HA TYR 49 HA TYR 49 -14.467 1.487 3.588 379 1HB TYR 49 HB2 TYR 49 -11.618 1.546 2.523 380 2HB TYR 49 HB1 TYR 49 -12.855 0.397 2.019 381 HD1 TYR 49 HD2 TYR 49 -15.105 1.397 1.185 382 HD2 TYR 49 HD1 TYR 49 -11.426 3.607 1.385 383 HE1 TYR 49 HE2 TYR 49 -16.003 3.036 -0.443 384 HE2 TYR 49 HE1 TYR 49 -12.325 5.245 -0.247 385 HH TYR 49 HH TYR 49 -14.281 5.996 -1.210 386 H SER 50 HN SER 50 -14.320 1.069 6.029 387 HA SER 50 HA SER 50 -12.160 -0.445 7.130 388 1HB SER 50 HB2 SER 50 -13.658 -0.892 8.959 389 2HB SER 50 HB1 SER 50 -13.978 0.748 8.419 390 HG SER 50 HG SER 50 -15.749 -0.037 7.255 391 H ASN 51 HN ASN 51 -14.397 -1.223 4.754 392 HA ASN 51 HA ASN 51 -14.464 -4.119 5.383 393 1HB ASN 51 HB2 ASN 51 -16.460 -2.855 4.414 394 2HB ASN 51 HB1 ASN 51 -15.534 -2.717 2.922 395 1HD2 ASN 51 HD22 ASN 51 -16.439 -5.947 1.877 396 2HD2 ASN 51 HD21 ASN 51 -15.933 -4.382 1.460 397 H VAL 52 HN VAL 52 -12.208 -2.121 4.256 398 HA VAL 52 HA VAL 52 -11.108 -4.114 2.318 399 HB VAL 52 HB VAL 52 -10.875 -1.087 2.236 400 1HG1 VAL 52 HG12 VAL 52 -9.473 -3.290 0.723 401 2HG1 VAL 52 HG11 VAL 52 -9.674 -1.685 0.018 402 3HG1 VAL 52 HG13 VAL 52 -8.773 -1.879 1.519 403 1HG2 VAL 52 HG23 VAL 52 -12.224 -3.122 0.441 404 2HG2 VAL 52 HG22 VAL 52 -12.996 -1.814 1.337 405 3HG2 VAL 52 HG21 VAL 52 -11.942 -1.446 -0.030 406 H ILE 53 HN ILE 53 -8.866 -4.537 2.601 407 HA ILE 53 HA ILE 53 -7.800 -3.628 5.244 408 HB ILE 53 HB ILE 53 -6.694 -5.766 3.399 409 1HG1 ILE 53 HG12 ILE 53 -8.959 -6.422 3.956 410 2HG1 ILE 53 HG11 ILE 53 -7.863 -7.361 4.964 411 1HG2 ILE 53 HG21 ILE 53 -5.294 -4.719 5.295 412 2HG2 ILE 53 HG23 ILE 53 -6.401 -5.519 6.399 413 3HG2 ILE 53 HG22 ILE 53 -5.429 -6.471 5.277 414 1HD1 ILE 53 HD13 ILE 53 -8.208 -5.434 6.703 415 2HD1 ILE 53 HD12 ILE 53 -9.639 -5.063 5.746 416 3HD1 ILE 53 HD11 ILE 53 -9.475 -6.644 6.502 417 H PHE 54 HN PHE 54 -6.252 -2.066 5.286 418 HA PHE 54 HA PHE 54 -4.753 -1.433 2.753 419 1HB PHE 54 HB2 PHE 54 -5.273 0.232 5.238 420 2HB PHE 54 HB1 PHE 54 -4.256 0.743 3.896 421 HD1 PHE 54 HD1 PHE 54 -7.720 -0.415 4.706 422 HD2 PHE 54 HD2 PHE 54 -5.219 1.839 2.034 423 HE1 PHE 54 HE1 PHE 54 -9.735 0.469 3.555 424 HE2 PHE 54 HE2 PHE 54 -7.242 2.705 0.873 425 HZ PHE 54 HZ PHE 54 -9.493 2.014 1.638 426 H LEU 55 HN LEU 55 -2.577 -1.925 2.725 427 HA LEU 55 HA LEU 55 -1.198 -2.497 5.333 428 1HB LEU 55 HB2 LEU 55 -0.683 -3.581 2.552 429 2HB LEU 55 HB1 LEU 55 0.509 -3.717 3.841 430 HG LEU 55 HG LEU 55 -0.963 -5.076 5.160 431 1HD1 LEU 55 HD11 LEU 55 -3.059 -4.229 3.176 432 2HD1 LEU 55 HD13 LEU 55 -3.245 -5.722 4.101 433 3HD1 LEU 55 HD12 LEU 55 -3.102 -4.182 4.940 434 1HD2 LEU 55 HD22 LEU 55 0.236 -6.204 3.329 435 2HD2 LEU 55 HD21 LEU 55 -1.310 -6.986 3.647 436 3HD2 LEU 55 HD23 LEU 55 -1.129 -5.920 2.255 437 H GLU 56 HN GLU 56 0.684 -1.450 5.806 438 HA GLU 56 HA GLU 56 1.609 0.649 3.865 439 1HB GLU 56 HB2 GLU 56 0.768 1.419 6.146 440 2HB GLU 56 HB1 GLU 56 2.107 0.524 6.863 441 1HG GLU 56 HG2 GLU 56 3.680 1.860 5.420 442 2HG GLU 56 HG1 GLU 56 2.300 2.837 4.911 443 H VAL 57 HN VAL 57 3.659 0.306 3.046 444 HA VAL 57 HA VAL 57 5.397 -1.714 4.439 445 HB VAL 57 HB VAL 57 5.112 -1.322 1.445 446 1HG1 VAL 57 HG13 VAL 57 6.655 -3.345 3.099 447 2HG1 VAL 57 HG12 VAL 57 6.526 -3.351 1.343 448 3HG1 VAL 57 HG11 VAL 57 7.374 -2.040 2.157 449 1HG2 VAL 57 HG23 VAL 57 4.186 -3.547 3.283 450 2HG2 VAL 57 HG22 VAL 57 3.142 -2.383 2.476 451 3HG2 VAL 57 HG21 VAL 57 4.058 -3.555 1.522 452 H ASP 58 HN ASP 58 7.436 -1.133 4.786 453 HA ASP 58 HA ASP 58 8.324 1.576 3.931 454 1HB ASP 58 HB2 ASP 58 8.380 0.791 6.359 455 2HB ASP 58 HB1 ASP 58 9.634 -0.348 5.858 456 H VAL 59 HN VAL 59 9.591 1.591 2.080 457 HA VAL 59 HA VAL 59 10.766 -0.810 0.980 458 HB VAL 59 HB VAL 59 11.984 0.715 -0.514 459 1HG1 VAL 59 HG11 VAL 59 9.587 0.295 -0.952 460 2HG1 VAL 59 HG13 VAL 59 9.170 1.688 0.043 461 3HG1 VAL 59 HG12 VAL 59 10.061 1.914 -1.463 462 1HG2 VAL 59 HG21 VAL 59 11.166 2.750 1.559 463 2HG2 VAL 59 HG23 VAL 59 12.758 2.457 0.857 464 3HG2 VAL 59 HG22 VAL 59 11.507 3.245 -0.103 465 H ASP 60 HN ASP 60 11.707 1.399 3.472 466 HA ASP 60 HA ASP 60 14.563 0.643 3.293 467 1HB ASP 60 HB2 ASP 60 12.965 2.581 4.950 468 2HB ASP 60 HB1 ASP 60 14.606 2.167 5.398 469 H ASP 61 HN ASP 61 11.850 0.109 5.597 470 HA ASP 61 HA ASP 61 13.653 -1.692 7.169 471 1HB ASP 61 HB2 ASP 61 10.829 -0.730 7.746 472 2HB ASP 61 HB1 ASP 61 11.782 -1.771 8.794 473 H ALA 62 HN ALA 62 11.188 -1.728 4.811 474 HA ALA 62 HA ALA 62 10.870 -4.692 5.111 475 1HB ALA 62 HB2 ALA 62 8.806 -3.110 5.454 476 2HB ALA 62 HB1 ALA 62 8.857 -2.952 3.698 477 3HB ALA 62 HB3 ALA 62 8.629 -4.536 4.435 478 H GLN 63 HN GLN 63 12.986 -3.406 3.753 479 HA GLN 63 HA GLN 63 12.560 -3.000 0.981 480 1HB GLN 63 HB2 GLN 63 14.956 -3.271 0.742 481 2HB GLN 63 HB1 GLN 63 14.654 -2.433 2.262 482 1HG GLN 63 HG2 GLN 63 14.766 -4.676 3.418 483 2HG GLN 63 HG1 GLN 63 15.316 -5.366 1.892 484 1HE2 GLN 63 HE22 GLN 63 18.021 -3.604 4.218 485 2HE2 GLN 63 HE21 GLN 63 16.498 -4.128 4.758 486 H ASP 64 HN ASP 64 12.566 -5.925 2.831 487 HA ASP 64 HA ASP 64 13.339 -7.744 0.773 488 1HB ASP 64 HB2 ASP 64 12.003 -9.414 2.125 489 2HB ASP 64 HB1 ASP 64 13.235 -8.546 3.029 490 H VAL 65 HN VAL 65 10.247 -6.207 1.577 491 HA VAL 65 HA VAL 65 8.717 -7.777 -0.331 492 HB VAL 65 HB VAL 65 8.045 -5.004 0.702 493 1HG1 VAL 65 HG12 VAL 65 6.687 -6.150 -1.150 494 2HG1 VAL 65 HG11 VAL 65 6.183 -7.302 0.088 495 3HG1 VAL 65 HG13 VAL 65 5.790 -5.589 0.263 496 1HG2 VAL 65 HG21 VAL 65 7.999 -7.672 2.083 497 2HG2 VAL 65 HG23 VAL 65 8.437 -6.096 2.726 498 3HG2 VAL 65 HG22 VAL 65 6.741 -6.499 2.464 499 H ALA 66 HN ALA 66 10.290 -4.589 -0.349 500 HA ALA 66 HA ALA 66 9.418 -3.824 -2.978 501 1HB ALA 66 HB2 ALA 66 11.558 -2.876 -1.104 502 2HB ALA 66 HB1 ALA 66 11.531 -2.278 -2.759 503 3HB ALA 66 HB3 ALA 66 10.142 -2.013 -1.703 504 H SER 67 HN SER 67 12.414 -5.408 -1.810 505 HA SER 67 HA SER 67 13.761 -5.366 -4.327 506 1HB SER 67 HB2 SER 67 15.066 -7.279 -3.461 507 2HB SER 67 HB1 SER 67 14.879 -6.041 -2.221 508 HG SER 67 HG SER 67 14.344 -8.471 -1.857 509 H GLU 68 HN GLU 68 11.405 -7.640 -2.979 510 HA GLU 68 HA GLU 68 11.549 -9.522 -5.141 511 1HB GLU 68 HB2 GLU 68 10.499 -10.012 -2.932 512 2HB GLU 68 HB1 GLU 68 9.194 -8.894 -3.331 513 1HG GLU 68 HG2 GLU 68 8.679 -10.267 -5.349 514 2HG GLU 68 HG1 GLU 68 9.922 -11.414 -4.851 515 H ALA 69 HN ALA 69 9.555 -6.623 -4.584 516 HA ALA 69 HA ALA 69 8.139 -7.009 -7.135 517 1HB ALA 69 HB1 ALA 69 8.013 -4.819 -5.056 518 2HB ALA 69 HB3 ALA 69 7.007 -4.868 -6.503 519 3HB ALA 69 HB2 ALA 69 6.860 -6.133 -5.282 520 H GLU 70 HN GLU 70 11.134 -5.718 -6.345 521 HA GLU 70 HA GLU 70 12.569 -4.247 -7.494 522 1HB GLU 70 HB2 GLU 70 10.723 -5.113 -9.736 523 2HB GLU 70 HB1 GLU 70 12.171 -4.144 -9.986 524 1HG GLU 70 HG2 GLU 70 12.793 -6.418 -10.352 525 2HG GLU 70 HG1 GLU 70 13.465 -5.958 -8.786 526 H VAL 71 HN VAL 71 10.726 -2.792 -6.041 527 HA VAL 71 HA VAL 71 9.173 -0.999 -7.676 528 HB VAL 71 HB VAL 71 10.360 -0.435 -4.936 529 1HG1 VAL 71 HG11 VAL 71 8.016 0.688 -6.504 530 2HG1 VAL 71 HG13 VAL 71 8.310 1.033 -4.799 531 3HG1 VAL 71 HG12 VAL 71 9.481 1.542 -6.021 532 1HG2 VAL 71 HG22 VAL 71 7.708 -1.734 -5.697 533 2HG2 VAL 71 HG21 VAL 71 9.069 -2.559 -4.940 534 3HG2 VAL 71 HG23 VAL 71 8.201 -1.302 -4.060 535 H LYS 72 HN LYS 72 9.836 0.802 -8.801 536 HA LYS 72 HA LYS 72 12.721 1.516 -8.641 537 1HB LYS 72 HB2 LYS 72 10.664 2.074 -10.783 538 2HB LYS 72 HB1 LYS 72 12.345 2.597 -10.848 539 1HG LYS 72 HG2 LYS 72 11.489 -0.311 -10.591 540 2HG LYS 72 HG1 LYS 72 11.890 0.466 -12.122 541 1HD LYS 72 HD2 LYS 72 14.133 1.116 -10.905 542 2HD LYS 72 HD1 LYS 72 13.701 -0.192 -9.802 543 1HE LYS 72 HE2 LYS 72 15.117 -1.075 -11.576 544 2HE LYS 72 HE1 LYS 72 13.489 -1.725 -11.752 545 1HZ LYS 72 HZ2 LYS 72 14.164 0.768 -13.139 546 2HZ LYS 72 HZ1 LYS 72 14.745 -0.696 -13.778 547 3HZ LYS 72 HZ3 LYS 72 13.076 -0.460 -13.588 548 H ALA 73 HN ALA 73 9.657 2.720 -7.698 549 HA ALA 73 HA ALA 73 10.943 5.215 -6.842 550 1HB ALA 73 HB1 ALA 73 9.097 5.103 -9.178 551 2HB ALA 73 HB3 ALA 73 8.864 6.446 -8.057 552 3HB ALA 73 HB2 ALA 73 10.423 6.218 -8.847 553 H THR 74 HN THR 74 9.647 6.440 -5.369 554 HA THR 74 HA THR 74 7.202 5.072 -4.320 555 HB THR 74 HB THR 74 7.959 5.490 -2.042 556 HG1 THR 74 HG1 THR 74 9.043 7.266 -1.923 557 1HG2 THR 74 HG23 THR 74 10.047 4.264 -3.805 558 2HG2 THR 74 HG22 THR 74 10.250 4.346 -2.064 559 3HG2 THR 74 HG21 THR 74 8.889 3.462 -2.754 560 HA PRO 75 HA PRO 75 5.846 5.678 -2.516 561 1HB PRO 75 HB2 PRO 75 3.268 6.674 -2.466 562 2HB PRO 75 HB1 PRO 75 4.524 7.095 -1.293 563 1HG PRO 75 HG2 PRO 75 3.415 8.731 -3.504 564 2HG PRO 75 HG1 PRO 75 4.212 9.246 -2.012 565 1HD PRO 75 HD2 PRO 75 5.379 9.173 -4.615 566 2HD PRO 75 HD1 PRO 75 6.239 9.448 -3.072 567 H THR 76 HN THR 76 4.880 3.827 -3.248 568 HA THR 76 HA THR 76 3.439 3.936 -5.875 569 HB THR 76 HB THR 76 5.310 1.742 -4.939 570 HG1 THR 76 HG1 THR 76 6.206 2.599 -7.117 571 1HG2 THR 76 HG21 THR 76 3.568 2.108 -7.373 572 2HG2 THR 76 HG23 THR 76 4.912 0.966 -7.332 573 3HG2 THR 76 HG22 THR 76 3.552 0.766 -6.224 574 H PHE 77 HN PHE 77 1.533 2.868 -5.889 575 HA PHE 77 HA PHE 77 0.751 1.379 -3.404 576 1HB PHE 77 HB2 PHE 77 -1.002 2.795 -5.438 577 2HB PHE 77 HB1 PHE 77 -1.565 1.966 -3.986 578 HD1 PHE 77 HD1 PHE 77 -1.156 2.912 -1.747 579 HD2 PHE 77 HD2 PHE 77 0.182 4.900 -5.312 580 HE1 PHE 77 HE1 PHE 77 -0.749 4.981 -0.439 581 HE2 PHE 77 HE2 PHE 77 0.593 6.972 -4.007 582 HZ PHE 77 HZ PHE 77 0.126 7.011 -1.567 583 H GLN 78 HN GLN 78 0.193 -0.749 -3.655 584 HA GLN 78 HA GLN 78 -0.233 -1.773 -6.448 585 1HB GLN 78 HB2 GLN 78 1.280 -3.046 -4.159 586 2HB GLN 78 HB1 GLN 78 0.784 -3.926 -5.605 587 1HG GLN 78 HG2 GLN 78 2.032 -2.257 -6.993 588 2HG GLN 78 HG1 GLN 78 2.614 -1.507 -5.506 589 1HE2 GLN 78 HE22 GLN 78 5.379 -3.726 -5.864 590 2HE2 GLN 78 HE21 GLN 78 4.860 -2.114 -6.002 591 H PHE 79 HN PHE 79 -1.894 -3.222 -6.692 592 HA PHE 79 HA PHE 79 -3.684 -3.554 -4.305 593 1HB PHE 79 HB2 PHE 79 -4.273 -3.580 -7.277 594 2HB PHE 79 HB1 PHE 79 -5.469 -3.920 -6.017 595 HD1 PHE 79 HD2 PHE 79 -3.032 -1.376 -7.211 596 HD2 PHE 79 HD1 PHE 79 -6.527 -2.138 -4.836 597 HE1 PHE 79 HE2 PHE 79 -3.319 1.056 -6.861 598 HE2 PHE 79 HE1 PHE 79 -6.813 0.300 -4.478 599 HZ PHE 79 HZ PHE 79 -5.212 1.899 -5.495 600 H PHE 80 HN PHE 80 -4.033 -5.522 -3.532 601 HA PHE 80 HA PHE 80 -3.396 -7.903 -5.229 602 1HB PHE 80 HB2 PHE 80 -2.837 -7.430 -2.294 603 2HB PHE 80 HB1 PHE 80 -2.828 -9.034 -3.028 604 HD1 PHE 80 HD2 PHE 80 -1.128 -5.748 -2.907 605 HD2 PHE 80 HD1 PHE 80 -1.123 -9.700 -4.603 606 HE1 PHE 80 HE2 PHE 80 1.192 -5.408 -3.703 607 HE2 PHE 80 HE1 PHE 80 1.200 -9.354 -5.399 608 HZ PHE 80 HZ PHE 80 2.356 -7.209 -4.948 609 H LYS 81 HN LYS 81 -4.916 -9.563 -5.140 610 HA LYS 81 HA LYS 81 -7.126 -9.380 -3.172 611 1HB LYS 81 HB2 LYS 81 -7.657 -8.075 -5.371 612 2HB LYS 81 HB1 LYS 81 -7.770 -9.670 -6.118 613 1HG LYS 81 HG2 LYS 81 -9.434 -10.303 -4.337 614 2HG LYS 81 HG1 LYS 81 -9.393 -8.635 -3.778 615 1HD LYS 81 HD2 LYS 81 -10.014 -7.964 -6.169 616 2HD LYS 81 HD1 LYS 81 -10.362 -9.670 -6.450 617 1HE LYS 81 HE2 LYS 81 -11.603 -8.013 -4.235 618 2HE LYS 81 HE1 LYS 81 -12.389 -8.374 -5.772 619 1HZ LYS 81 HZ3 LYS 81 -11.919 -10.788 -5.200 620 2HZ LYS 81 HZ2 LYS 81 -11.617 -10.247 -3.618 621 3HZ LYS 81 HZ1 LYS 81 -13.147 -10.015 -4.320 622 H LYS 82 HN LYS 82 -7.496 -11.425 -2.458 623 HA LYS 82 HA LYS 82 -7.415 -13.757 -2.307 624 1HB LYS 82 HB2 LYS 82 -7.546 -13.627 -5.346 625 2HB LYS 82 HB1 LYS 82 -7.792 -15.067 -4.367 626 1HG LYS 82 HG2 LYS 82 -9.630 -13.680 -3.167 627 2HG LYS 82 HG1 LYS 82 -9.536 -12.616 -4.568 628 1HD LYS 82 HD2 LYS 82 -9.964 -14.570 -6.046 629 2HD LYS 82 HD1 LYS 82 -10.134 -15.588 -4.617 630 1HE LYS 82 HE2 LYS 82 -12.012 -14.180 -3.838 631 2HE LYS 82 HE1 LYS 82 -11.849 -13.173 -5.276 632 1HZ LYS 82 HZ3 LYS 82 -12.033 -15.967 -5.887 633 2HZ LYS 82 HZ2 LYS 82 -13.401 -15.393 -5.057 634 3HZ LYS 82 HZ1 LYS 82 -12.920 -14.664 -6.513 635 H GLY 83 HN GLY 83 -4.900 -12.158 -2.547 636 1HA GLY 83 HA2 GLY 83 -2.627 -12.794 -2.403 637 2HA GLY 83 HA1 GLY 83 -3.090 -14.419 -2.891 638 H GLN 84 HN GLN 84 -4.294 -11.973 -4.971 639 HA GLN 84 HA GLN 84 -2.050 -12.466 -6.898 640 1HB GLN 84 HB2 GLN 84 -5.025 -12.323 -7.410 641 2HB GLN 84 HB1 GLN 84 -3.806 -12.328 -8.686 642 1HG GLN 84 HG2 GLN 84 -2.928 -14.485 -7.769 643 2HG GLN 84 HG1 GLN 84 -4.267 -14.495 -6.621 644 1HE2 GLN 84 HE22 GLN 84 -6.603 -14.602 -9.586 645 2HE2 GLN 84 HE21 GLN 84 -6.280 -13.415 -8.412 646 H LYS 85 HN LYS 85 -1.365 -10.728 -8.142 647 HA LYS 85 HA LYS 85 -2.068 -8.039 -7.154 648 1HB LYS 85 HB2 LYS 85 0.269 -8.732 -7.776 649 2HB LYS 85 HB1 LYS 85 -0.262 -8.848 -9.455 650 1HG LYS 85 HG2 LYS 85 -0.986 -6.453 -9.338 651 2HG LYS 85 HG1 LYS 85 -0.285 -6.364 -7.722 652 1HD LYS 85 HD2 LYS 85 1.907 -7.055 -8.670 653 2HD LYS 85 HD1 LYS 85 1.188 -7.034 -10.280 654 1HE LYS 85 HE2 LYS 85 0.660 -4.658 -10.038 655 2HE LYS 85 HE1 LYS 85 1.313 -4.665 -8.401 656 1HZ LYS 85 HZ3 LYS 85 3.067 -5.698 -10.465 657 2HZ LYS 85 HZ2 LYS 85 2.738 -4.033 -10.554 658 3HZ LYS 85 HZ1 LYS 85 3.416 -4.694 -9.143 659 H VAL 86 HN VAL 86 -3.622 -6.789 -8.072 660 HA VAL 86 HA VAL 86 -4.535 -7.440 -10.857 661 HB VAL 86 HB VAL 86 -6.770 -6.553 -10.059 662 1HG1 VAL 86 HG13 VAL 86 -6.076 -9.031 -10.192 663 2HG1 VAL 86 HG12 VAL 86 -5.845 -8.941 -8.446 664 3HG1 VAL 86 HG11 VAL 86 -7.439 -8.649 -9.138 665 1HG2 VAL 86 HG22 VAL 86 -5.750 -5.372 -8.071 666 2HG2 VAL 86 HG21 VAL 86 -7.141 -6.380 -7.670 667 3HG2 VAL 86 HG23 VAL 86 -5.509 -6.954 -7.330 668 H GLY 87 HN GLY 87 -2.743 -5.198 -9.325 669 1HA GLY 87 HA2 GLY 87 -3.186 -3.208 -11.322 670 2HA GLY 87 HA1 GLY 87 -4.094 -2.744 -9.890 671 H GLU 88 HN GLU 88 -2.030 -1.181 -10.897 672 HA GLU 88 HA GLU 88 -0.390 -0.856 -8.551 673 1HB GLU 88 HB2 GLU 88 1.131 -2.478 -9.192 674 2HB GLU 88 HB1 GLU 88 0.669 -2.378 -10.885 675 1HG GLU 88 HG2 GLU 88 3.003 -1.623 -10.487 676 2HG GLU 88 HG1 GLU 88 2.007 -0.343 -11.165 677 H PHE 89 HN PHE 89 0.648 1.196 -8.576 678 HA PHE 89 HA PHE 89 0.979 2.715 -10.999 679 1HB PHE 89 HB2 PHE 89 -0.753 4.295 -10.913 680 2HB PHE 89 HB1 PHE 89 -1.566 2.769 -10.602 681 HD1 PHE 89 HD1 PHE 89 -0.057 5.730 -8.891 682 HD2 PHE 89 HD2 PHE 89 -2.857 2.489 -8.640 683 HE1 PHE 89 HE1 PHE 89 -0.983 6.694 -6.799 684 HE2 PHE 89 HE2 PHE 89 -3.782 3.445 -6.546 685 HZ PHE 89 HZ PHE 89 -2.856 5.556 -5.632 686 H SER 90 HN SER 90 1.940 4.828 -10.591 687 HA SER 90 HA SER 90 2.957 5.157 -7.785 688 1HB SER 90 HB2 SER 90 5.087 5.932 -8.736 689 2HB SER 90 HB1 SER 90 4.746 4.278 -9.242 690 HG SER 90 HG SER 90 5.386 6.053 -10.855 691 H GLY 91 HN GLY 91 3.605 7.348 -7.258 692 1HA GLY 91 HA2 GLY 91 3.684 9.722 -8.116 693 2HA GLY 91 HA1 GLY 91 2.106 9.418 -8.841 694 H ALA 92 HN ALA 92 3.063 11.304 -6.624 695 HA ALA 92 HA ALA 92 1.749 10.346 -4.216 696 1HB ALA 92 HB2 ALA 92 2.753 13.065 -5.085 697 2HB ALA 92 HB1 ALA 92 2.019 12.773 -3.509 698 3HB ALA 92 HB3 ALA 92 3.517 11.952 -3.952 699 H ASN 93 HN ASN 93 -0.244 9.824 -5.716 700 HA ASN 93 HA ASN 93 -2.129 12.164 -5.644 701 1HB ASN 93 HB2 ASN 93 -1.570 11.238 -7.945 702 2HB ASN 93 HB1 ASN 93 -2.351 9.739 -7.437 703 1HD2 ASN 93 HD22 ASN 93 -5.179 12.525 -6.939 704 2HD2 ASN 93 HD21 ASN 93 -3.885 12.308 -5.866 705 H LYS 94 HN LYS 94 -3.002 11.746 -3.596 706 HA LYS 94 HA LYS 94 -3.663 9.104 -2.636 707 1HB LYS 94 HB2 LYS 94 -4.949 10.385 -0.920 708 2HB LYS 94 HB1 LYS 94 -3.263 10.862 -1.065 709 1HG LYS 94 HG2 LYS 94 -5.009 12.404 -2.877 710 2HG LYS 94 HG1 LYS 94 -5.491 12.589 -1.202 711 1HD LYS 94 HD2 LYS 94 -3.095 13.140 -0.654 712 2HD LYS 94 HD1 LYS 94 -2.758 13.124 -2.388 713 1HE LYS 94 HE2 LYS 94 -4.453 14.881 -2.730 714 2HE LYS 94 HE1 LYS 94 -4.793 14.889 -1.001 715 1HZ LYS 94 HZ2 LYS 94 -2.112 15.172 -1.080 716 2HZ LYS 94 HZ1 LYS 94 -2.596 16.064 -2.445 717 3HZ LYS 94 HZ3 LYS 94 -3.219 16.449 -0.915 718 H GLU 95 HN GLU 95 -5.518 11.545 -4.423 719 HA GLU 95 HA GLU 95 -8.112 10.421 -3.983 720 1HB GLU 95 HB2 GLU 95 -7.030 11.995 -6.341 721 2HB GLU 95 HB1 GLU 95 -8.737 11.699 -6.022 722 1HG GLU 95 HG2 GLU 95 -6.894 13.053 -4.042 723 2HG GLU 95 HG1 GLU 95 -7.882 13.940 -5.200 724 H LYS 96 HN LYS 96 -5.509 9.654 -6.155 725 HA LYS 96 HA LYS 96 -6.890 8.059 -8.052 726 1HB LYS 96 HB2 LYS 96 -4.517 8.886 -8.129 727 2HB LYS 96 HB1 LYS 96 -4.089 7.618 -6.996 728 1HG LYS 96 HG2 LYS 96 -4.557 5.895 -8.530 729 2HG LYS 96 HG1 LYS 96 -5.517 6.951 -9.568 730 1HD LYS 96 HD2 LYS 96 -3.438 8.251 -10.088 731 2HD LYS 96 HD1 LYS 96 -2.514 7.079 -9.160 732 1HE LYS 96 HE2 LYS 96 -3.331 5.275 -10.676 733 2HE LYS 96 HE1 LYS 96 -4.177 6.497 -11.628 734 1HZ LYS 96 HZ1 LYS 96 -1.278 6.671 -11.077 735 2HZ LYS 96 HZ3 LYS 96 -1.885 5.816 -12.410 736 3HZ LYS 96 HZ2 LYS 96 -2.176 7.484 -12.268 737 H LEU 97 HN LEU 97 -5.638 7.326 -4.830 738 HA LEU 97 HA LEU 97 -5.920 4.497 -4.896 739 1HB LEU 97 HB2 LEU 97 -6.284 6.501 -2.646 740 2HB LEU 97 HB1 LEU 97 -6.310 4.765 -2.391 741 HG LEU 97 HG LEU 97 -3.995 6.152 -3.727 742 1HD1 LEU 97 HD12 LEU 97 -4.419 5.574 -0.785 743 2HD1 LEU 97 HD11 LEU 97 -2.889 6.091 -1.488 744 3HD1 LEU 97 HD13 LEU 97 -4.288 7.163 -1.526 745 1HD2 LEU 97 HD21 LEU 97 -4.649 3.406 -3.329 746 2HD2 LEU 97 HD23 LEU 97 -3.105 4.061 -3.857 747 3HD2 LEU 97 HD22 LEU 97 -3.396 3.761 -2.148 748 H GLU 98 HN GLU 98 -8.167 7.099 -4.181 749 HA GLU 98 HA GLU 98 -10.354 5.469 -3.303 750 1HB GLU 98 HB2 GLU 98 -10.225 7.931 -2.975 751 2HB GLU 98 HB1 GLU 98 -10.492 8.155 -4.703 752 1HG GLU 98 HG2 GLU 98 -12.669 6.953 -4.497 753 2HG GLU 98 HG1 GLU 98 -12.405 6.827 -2.758 754 H ALA 99 HN ALA 99 -9.479 6.611 -6.557 755 HA ALA 99 HA ALA 99 -11.867 5.599 -7.794 756 1HB ALA 99 HB1 ALA 99 -10.278 7.324 -8.757 757 2HB ALA 99 HB3 ALA 99 -9.184 5.993 -9.136 758 3HB ALA 99 HB2 ALA 99 -10.781 6.066 -9.883 759 H THR 100 HN THR 100 -8.592 4.171 -7.495 760 HA THR 100 HA THR 100 -9.257 1.844 -9.041 761 HB THR 100 HB THR 100 -7.156 1.996 -6.858 762 HG1 THR 100 HG1 THR 100 -6.106 3.290 -8.118 763 1HG2 THR 100 HG22 THR 100 -7.541 0.314 -9.348 764 2HG2 THR 100 HG21 THR 100 -6.011 0.401 -8.478 765 3HG2 THR 100 HG23 THR 100 -7.444 -0.243 -7.678 766 H ILE 101 HN ILE 101 -9.452 2.546 -5.577 767 HA ILE 101 HA ILE 101 -10.104 -0.095 -4.677 768 HB ILE 101 HB ILE 101 -10.877 2.647 -3.624 769 1HG1 ILE 101 HG12 ILE 101 -8.966 0.635 -2.414 770 2HG1 ILE 101 HG11 ILE 101 -8.428 1.793 -3.630 771 1HG2 ILE 101 HG22 ILE 101 -11.415 -0.112 -2.509 772 2HG2 ILE 101 HG21 ILE 101 -11.351 1.314 -1.474 773 3HG2 ILE 101 HG23 ILE 101 -12.559 1.206 -2.755 774 1HD1 ILE 101 HD13 ILE 101 -9.382 3.631 -2.157 775 2HD1 ILE 101 HD12 ILE 101 -9.636 2.405 -0.918 776 3HD1 ILE 101 HD11 ILE 101 -8.003 2.778 -1.468 777 H ASN 102 HN ASN 102 -12.193 2.637 -5.613 778 HA ASN 102 HA ASN 102 -14.682 1.271 -5.370 779 1HB ASN 102 HB2 ASN 102 -14.448 3.740 -5.671 780 2HB ASN 102 HB1 ASN 102 -13.922 3.470 -7.333 781 1HD2 ASN 102 HD22 ASN 102 -17.822 3.691 -6.621 782 2HD2 ASN 102 HD21 ASN 102 -16.616 4.287 -5.585 783 H GLU 103 HN GLU 103 -12.328 1.475 -7.959 784 HA GLU 103 HA GLU 103 -13.904 0.250 -10.001 785 1HB GLU 103 HB2 GLU 103 -11.749 1.580 -10.265 786 2HB GLU 103 HB1 GLU 103 -10.896 0.152 -9.697 787 1HG GLU 103 HG2 GLU 103 -12.799 0.024 -12.042 788 2HG GLU 103 HG1 GLU 103 -11.087 0.402 -12.239 789 H LEU 104 HN LEU 104 -11.638 -1.112 -7.591 790 HA LEU 104 HA LEU 104 -12.230 -3.849 -8.610 791 1HB LEU 104 HB2 LEU 104 -10.257 -2.922 -6.502 792 2HB LEU 104 HB1 LEU 104 -10.392 -4.562 -7.129 793 HG LEU 104 HG LEU 104 -9.795 -2.165 -8.881 794 1HD1 LEU 104 HD13 LEU 104 -8.029 -2.467 -7.177 795 2HD1 LEU 104 HD12 LEU 104 -7.864 -4.155 -7.659 796 3HD1 LEU 104 HD11 LEU 104 -7.445 -2.871 -8.789 797 1HD2 LEU 104 HD21 LEU 104 -9.699 -5.173 -9.257 798 2HD2 LEU 104 HD23 LEU 104 -10.597 -3.992 -10.209 799 3HD2 LEU 104 HD22 LEU 104 -8.843 -4.068 -10.330 800 H VAL 105 HN VAL 105 -13.498 -1.776 -6.230 801 HA VAL 105 HA VAL 105 -13.747 -3.622 -4.051 802 HB VAL 105 HB VAL 105 -14.250 -1.109 -3.979 803 1HG1 VAL 105 HG12 VAL 105 -15.908 -1.376 -5.975 804 2HG1 VAL 105 HG11 VAL 105 -17.054 -1.908 -4.745 805 3HG1 VAL 105 HG13 VAL 105 -16.349 -0.295 -4.653 806 1HG2 VAL 105 HG21 VAL 105 -16.118 -3.169 -2.783 807 2HG2 VAL 105 HG23 VAL 105 -14.675 -2.473 -2.047 808 3HG2 VAL 105 HG22 VAL 105 -16.109 -1.475 -2.286 809 HA PRO 59 HA PRO 106 14.432 16.151 -13.185 810 1HB PRO 59 HB2 PRO 106 16.933 15.697 -11.606 811 2HB PRO 59 HB1 PRO 106 16.538 15.190 -13.257 812 1HG PRO 59 HG2 PRO 106 18.199 17.233 -12.778 813 2HG PRO 59 HG1 PRO 106 17.095 17.233 -14.164 814 1HD PRO 59 HD2 PRO 106 16.911 18.786 -11.614 815 2HD PRO 59 HD1 PRO 106 16.341 19.216 -13.243 816 H ALA 60 HN ALA 107 15.102 17.159 -9.854 817 HA ALA 60 HA ALA 107 14.026 14.624 -8.772 818 1HB ALA 60 HB3 ALA 107 15.004 17.176 -7.457 819 2HB ALA 60 HB2 ALA 107 14.338 15.815 -6.554 820 3HB ALA 60 HB1 ALA 107 15.819 15.610 -7.495 821 H THR 61 HN THR 108 11.872 14.344 -8.440 822 HA THR 61 HA THR 108 10.099 16.774 -8.371 823 HB THR 61 HB THR 108 9.317 13.907 -8.984 824 HG1 THR 61 HG1 THR 108 10.439 15.914 -10.528 825 1HG2 THR 61 HG23 THR 108 7.573 15.598 -8.215 826 2HG2 THR 61 HG22 THR 108 7.923 16.495 -9.690 827 3HG2 THR 61 HG21 THR 108 7.276 14.858 -9.787 828 H LEU 62 HN LEU 109 9.030 17.163 -6.478 829 HA LEU 62 HA LEU 109 9.533 15.626 -4.118 830 1HB LEU 62 HB2 LEU 109 7.412 17.685 -4.770 831 2HB LEU 62 HB1 LEU 109 7.620 17.001 -3.163 832 HG LEU 62 HG LEU 109 9.920 18.294 -4.645 833 1HD1 LEU 62 HD11 LEU 109 8.063 19.924 -4.480 834 2HD1 LEU 62 HD13 LEU 109 7.973 19.634 -2.744 835 3HD1 LEU 62 HD12 LEU 109 9.414 20.377 -3.440 836 1HD2 LEU 62 HD21 LEU 109 9.334 17.570 -1.757 837 2HD2 LEU 62 HD23 LEU 109 10.697 17.061 -2.753 838 3HD2 LEU 62 HD22 LEU 109 10.596 18.723 -2.184 839 H LYS 63 HN LYS 110 7.013 15.515 -6.528 840 HA LYS 63 HA LYS 110 5.061 14.008 -5.134 841 1HB LYS 63 HB2 LYS 110 5.828 13.978 -8.069 842 2HB LYS 63 HB1 LYS 110 4.362 13.245 -7.422 843 1HG LYS 63 HG2 LYS 110 5.006 16.152 -6.922 844 2HG LYS 63 HG1 LYS 110 4.187 15.642 -8.397 845 1HD LYS 63 HD2 LYS 110 2.466 14.495 -6.920 846 2HD LYS 63 HD1 LYS 110 3.216 15.308 -5.546 847 1HE LYS 63 HE2 LYS 110 2.103 16.705 -7.991 848 2HE LYS 63 HE1 LYS 110 1.297 16.599 -6.424 849 1HZ LYS 63 HZ3 LYS 110 3.778 17.502 -5.800 850 2HZ LYS 63 HZ2 LYS 110 3.453 18.304 -7.262 851 3HZ LYS 63 HZ1 LYS 110 2.390 18.466 -5.946 852 H ILE 64 HN ILE 111 8.110 13.073 -6.545 853 HA ILE 64 HA ILE 111 7.625 10.224 -5.701 854 HB ILE 64 HB ILE 111 9.114 11.265 -8.134 855 1HG1 ILE 64 HG12 ILE 111 6.702 11.175 -8.480 856 2HG1 ILE 64 HG11 ILE 111 7.474 9.875 -9.383 857 1HG2 ILE 64 HG22 ILE 111 9.008 8.526 -6.871 858 2HG2 ILE 64 HG21 ILE 111 9.356 8.734 -8.588 859 3HG2 ILE 64 HG23 ILE 111 10.420 9.451 -7.379 860 1HD1 ILE 64 HD13 ILE 111 6.979 8.507 -7.129 861 2HD1 ILE 64 HD12 ILE 111 5.713 9.724 -6.970 862 3HD1 ILE 64 HD11 ILE 111 5.760 8.681 -8.389 863 H CYS 65 HN CYS 112 9.348 9.260 -4.588 864 HA CYS 65 HA CYS 112 11.681 11.016 -3.957 865 1HB CYS 65 HB2 CYS 112 11.041 8.409 -2.560 866 2HB CYS 65 HB1 CYS 112 12.027 9.740 -1.981 867 H SER 66 HN SER 113 13.636 10.452 -4.902 868 HA SER 66 HA SER 113 13.682 8.132 -6.689 869 1HB SER 66 HB2 SER 113 15.862 10.107 -5.954 870 2HB SER 66 HB1 SER 113 15.982 8.893 -7.225 871 HG SER 66 HG SER 113 14.113 9.883 -8.167 872 H TRP 67 HN TRP 114 14.814 6.232 -6.409 873 HA TRP 67 HA TRP 114 15.459 5.455 -3.688 874 1HB TRP 67 HB2 TRP 114 15.773 4.031 -6.345 875 2HB TRP 67 HB1 TRP 114 16.171 3.295 -4.791 876 HD1 TRP 67 HD1 TRP 114 13.159 5.334 -6.122 877 HE1 TRP 67 HE1 TRP 114 11.004 4.177 -5.351 878 HE3 TRP 67 HE3 TRP 114 15.122 1.360 -3.591 879 HZ2 TRP 67 HZ2 TRP 114 10.220 1.903 -3.841 880 HZ3 TRP 67 HZ3 TRP 114 13.642 -0.282 -2.494 881 HH2 TRP 67 HH2 TRP 114 11.182 -0.013 -2.626 882 H ASN 68 HN ASN 115 17.178 7.028 -6.154 883 HA ASN 68 HA ASN 115 19.801 6.044 -5.963 884 1HB ASN 68 HB2 ASN 115 18.817 8.911 -6.199 885 2HB ASN 68 HB1 ASN 115 20.508 8.439 -6.392 886 1HD2 ASN 68 HD22 ASN 115 18.591 6.267 -9.152 887 2HD2 ASN 68 HD21 ASN 115 18.610 5.881 -7.499 888 H VAL 69 HN VAL 116 17.858 7.346 -3.489 889 HA VAL 69 HA VAL 116 19.794 8.642 -1.848 890 HB VAL 69 HB VAL 116 18.224 7.993 0.042 891 1HG1 VAL 69 HG13 VAL 116 17.980 10.044 -1.421 892 2HG1 VAL 69 HG12 VAL 116 16.844 9.124 -2.407 893 3HG1 VAL 69 HG11 VAL 116 16.472 9.467 -0.718 894 1HG2 VAL 69 HG23 VAL 116 17.520 5.836 -1.159 895 2HG2 VAL 69 HG22 VAL 116 16.213 6.788 -0.466 896 3HG2 VAL 69 HG21 VAL 116 16.529 6.857 -2.196 897 H ASP 70 HN ASP 117 21.248 7.852 -0.318 898 HA ASP 70 HA ASP 117 22.387 5.278 -0.719 899 1HB ASP 70 HB2 ASP 117 22.577 7.212 1.606 900 2HB ASP 70 HB1 ASP 117 23.517 5.721 1.523 901 H GLY 71 HN GLY 118 19.972 6.419 1.613 902 1HA GLY 71 HA2 GLY 118 18.782 3.847 1.903 903 2HA GLY 71 HA1 GLY 118 19.891 4.097 3.250 No H/Q in entry = 903 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -8.835 -1.144 9.598 2 2H MET 1 HT3 MET 1 -9.518 -0.857 11.122 3 3H MET 1 HT2 MET 1 -8.953 0.445 10.189 4 HA MET 1 HA MET 1 -7.194 0.223 11.603 5 1HB MET 1 HB2 MET 1 -8.274 -1.709 12.778 6 2HB MET 1 HB1 MET 1 -7.632 -2.779 11.531 7 1HG MET 1 HG2 MET 1 -6.095 -2.860 13.382 8 2HG MET 1 HG1 MET 1 -5.316 -1.910 12.122 9 1HE MET 1 HE3 MET 1 -7.536 -1.897 15.196 10 2HE MET 1 HE2 MET 1 -5.887 -2.075 15.792 11 3HE MET 1 HE1 MET 1 -6.820 -0.639 16.210 12 H VAL 2 HN VAL 2 -5.048 0.158 10.931 13 HA VAL 2 HA VAL 2 -4.561 -0.935 8.193 14 HB VAL 2 HB VAL 2 -3.077 1.084 9.908 15 1HG1 VAL 2 HG11 VAL 2 -2.345 -0.166 7.245 16 2HG1 VAL 2 HG13 VAL 2 -1.680 1.373 7.791 17 3HG1 VAL 2 HG12 VAL 2 -1.362 -0.098 8.709 18 1HG2 VAL 2 HG22 VAL 2 -4.628 1.227 7.313 19 2HG2 VAL 2 HG21 VAL 2 -5.064 1.972 8.851 20 3HG2 VAL 2 HG23 VAL 2 -3.663 2.555 7.952 21 H LYS 3 HN LYS 3 -2.377 -1.980 7.855 22 HA LYS 3 HA LYS 3 -1.393 -3.420 10.295 23 1HB LYS 3 HB2 LYS 3 -2.898 -4.862 8.879 24 2HB LYS 3 HB1 LYS 3 -1.802 -4.601 7.527 25 1HG LYS 3 HG2 LYS 3 -1.053 -6.651 8.390 26 2HG LYS 3 HG1 LYS 3 0.044 -5.507 9.149 27 1HD LYS 3 HD2 LYS 3 -1.311 -5.517 11.192 28 2HD LYS 3 HD1 LYS 3 -2.479 -6.596 10.425 29 1HE LYS 3 HE2 LYS 3 -0.785 -8.328 10.195 30 2HE LYS 3 HE1 LYS 3 0.451 -7.248 10.838 31 1HZ LYS 3 HZ1 LYS 3 -1.947 -7.695 12.446 32 2HZ LYS 3 HZ3 LYS 3 -0.813 -8.952 12.360 33 3HZ LYS 3 HZ2 LYS 3 -0.344 -7.425 12.937 34 H GLN 4 HN GLN 4 0.811 -3.262 10.479 35 HA GLN 4 HA GLN 4 2.317 -2.110 8.170 36 1HB GLN 4 HB2 GLN 4 2.536 -1.018 10.394 37 2HB GLN 4 HB1 GLN 4 3.173 -2.525 11.053 38 1HG GLN 4 HG2 GLN 4 5.045 -2.441 9.425 39 2HG GLN 4 HG1 GLN 4 4.417 -0.914 8.801 40 1HE2 GLN 4 HE22 GLN 4 6.859 0.260 11.218 41 2HE2 GLN 4 HE21 GLN 4 6.758 -0.284 9.613 42 H ILE 5 HN ILE 5 3.518 -3.440 6.946 43 HA ILE 5 HA ILE 5 4.131 -6.195 7.939 44 HB ILE 5 HB ILE 5 4.383 -5.097 5.126 45 1HG1 ILE 5 HG12 ILE 5 2.061 -4.862 5.736 46 2HG1 ILE 5 HG11 ILE 5 2.209 -6.299 4.727 47 1HG2 ILE 5 HG21 ILE 5 4.363 -7.858 6.341 48 2HG2 ILE 5 HG23 ILE 5 4.116 -7.564 4.628 49 3HG2 ILE 5 HG22 ILE 5 5.636 -7.103 5.380 50 1HD1 ILE 5 HD13 ILE 5 2.461 -7.592 6.972 51 2HD1 ILE 5 HD12 ILE 5 1.795 -6.136 7.709 52 3HD1 ILE 5 HD11 ILE 5 0.853 -7.028 6.516 53 H GLU 6 HN GLU 6 6.177 -6.283 8.843 54 HA GLU 6 HA GLU 6 8.265 -4.427 7.838 55 1HB GLU 6 HB2 GLU 6 8.282 -6.324 10.206 56 2HB GLU 6 HB1 GLU 6 9.532 -5.144 9.816 57 1HG GLU 6 HG2 GLU 6 8.235 -3.979 11.382 58 2HG GLU 6 HG1 GLU 6 7.581 -3.411 9.850 59 H SER 7 HN SER 7 7.173 -7.467 7.062 60 HA SER 7 HA SER 7 9.747 -8.107 5.770 61 1HB SER 7 HB2 SER 7 9.844 -10.398 6.686 62 2HB SER 7 HB1 SER 7 10.009 -9.193 7.965 63 HG SER 7 HG SER 7 7.418 -9.848 7.418 64 H LYS 8 HN LYS 8 9.544 -9.783 4.142 65 HA LYS 8 HA LYS 8 7.048 -9.758 2.721 66 1HB LYS 8 HB2 LYS 8 9.363 -10.249 1.749 67 2HB LYS 8 HB1 LYS 8 9.202 -11.861 2.449 68 1HG LYS 8 HG2 LYS 8 6.922 -11.959 1.222 69 2HG LYS 8 HG1 LYS 8 7.527 -10.586 0.291 70 1HD LYS 8 HD2 LYS 8 8.903 -13.275 0.556 71 2HD LYS 8 HD1 LYS 8 8.012 -12.715 -0.858 72 1HE LYS 8 HE2 LYS 8 9.602 -10.719 -0.898 73 2HE LYS 8 HE1 LYS 8 10.577 -11.596 0.280 74 1HZ LYS 8 HZ2 LYS 8 9.890 -13.338 -1.807 75 2HZ LYS 8 HZ1 LYS 8 10.536 -11.920 -2.484 76 3HZ LYS 8 HZ3 LYS 8 11.433 -12.797 -1.343 77 H THR 9 HN THR 9 8.480 -11.894 5.099 78 HA THR 9 HA THR 9 6.810 -14.143 4.755 79 HB THR 9 HB THR 9 7.840 -13.037 7.380 80 HG1 THR 9 HG1 THR 9 9.610 -13.330 6.202 81 1HG2 THR 9 HG22 THR 9 6.127 -14.855 7.548 82 2HG2 THR 9 HG21 THR 9 7.169 -15.878 6.559 83 3HG2 THR 9 HG23 THR 9 7.708 -15.345 8.151 84 H ALA 10 HN ALA 10 6.318 -11.265 6.800 85 HA ALA 10 HA ALA 10 3.687 -12.106 7.625 86 1HB ALA 10 HB3 ALA 10 5.206 -9.505 7.752 87 2HB ALA 10 HB2 ALA 10 3.494 -9.553 8.175 88 3HB ALA 10 HB1 ALA 10 4.655 -10.528 9.076 89 H PHE 11 HN PHE 11 4.964 -10.372 4.868 90 HA PHE 11 HA PHE 11 2.577 -9.125 3.936 91 1HB PHE 11 HB2 PHE 11 4.932 -8.856 2.981 92 2HB PHE 11 HB1 PHE 11 4.714 -10.408 2.199 93 HD1 PHE 11 HD1 PHE 11 2.875 -7.159 2.614 94 HD2 PHE 11 HD2 PHE 11 3.906 -10.420 0.012 95 HE1 PHE 11 HE1 PHE 11 1.675 -6.055 0.751 96 HE2 PHE 11 HE2 PHE 11 2.706 -9.313 -1.851 97 HZ PHE 11 HZ PHE 11 1.588 -7.133 -1.485 98 H GLN 12 HN GLN 12 3.901 -12.359 3.363 99 HA GLN 12 HA GLN 12 1.815 -13.236 1.593 100 1HB GLN 12 HB2 GLN 12 3.619 -14.791 3.479 101 2HB GLN 12 HB1 GLN 12 2.630 -15.520 2.213 102 1HG GLN 12 HG2 GLN 12 4.787 -13.432 1.746 103 2HG GLN 12 HG1 GLN 12 4.991 -15.165 1.487 104 1HE2 GLN 12 HE22 GLN 12 2.653 -15.160 -1.345 105 2HE2 GLN 12 HE21 GLN 12 2.967 -16.077 0.048 106 H GLU 13 HN GLU 13 2.264 -13.478 5.104 107 HA GLU 13 HA GLU 13 -0.099 -14.992 5.659 108 1HB GLU 13 HB2 GLU 13 1.677 -13.173 7.274 109 2HB GLU 13 HB1 GLU 13 0.210 -13.818 7.988 110 1HG GLU 13 HG2 GLU 13 2.183 -15.242 8.471 111 2HG GLU 13 HG1 GLU 13 0.964 -16.106 7.538 112 H ALA 14 HN ALA 14 0.464 -11.494 5.462 113 HA ALA 14 HA ALA 14 -2.141 -10.744 6.394 114 1HB ALA 14 HB3 ALA 14 -0.101 -9.235 6.143 115 2HB ALA 14 HB2 ALA 14 -0.458 -9.192 4.417 116 3HB ALA 14 HB1 ALA 14 -1.626 -8.556 5.575 117 H LEU 15 HN LEU 15 -0.844 -11.387 3.145 118 HA LEU 15 HA LEU 15 -3.163 -10.640 1.684 119 1HB LEU 15 HB2 LEU 15 -1.060 -12.756 1.149 120 2HB LEU 15 HB1 LEU 15 -2.302 -12.304 -0.017 121 HG LEU 15 HG LEU 15 -0.395 -10.308 1.226 122 1HD1 LEU 15 HD13 LEU 15 -0.119 -12.019 -1.242 123 2HD1 LEU 15 HD12 LEU 15 0.674 -10.448 -1.140 124 3HD1 LEU 15 HD11 LEU 15 1.064 -11.706 0.026 125 1HD2 LEU 15 HD23 LEU 15 -2.467 -10.216 -0.964 126 2HD2 LEU 15 HD22 LEU 15 -2.156 -9.056 0.326 127 3HD2 LEU 15 HD21 LEU 15 -1.069 -9.146 -1.055 128 H ASP 16 HN ASP 16 -2.211 -13.653 3.272 129 HA ASP 16 HA ASP 16 -4.503 -15.142 2.384 130 1HB ASP 16 HB2 ASP 16 -2.342 -16.133 3.237 131 2HB ASP 16 HB1 ASP 16 -2.856 -15.681 4.867 132 H ALA 17 HN ALA 17 -3.853 -13.131 5.233 133 HA ALA 17 HA ALA 17 -6.229 -13.908 6.668 134 1HB ALA 17 HB1 ALA 17 -4.223 -12.751 7.680 135 2HB ALA 17 HB3 ALA 17 -4.759 -11.270 6.886 136 3HB ALA 17 HB2 ALA 17 -5.773 -12.027 8.113 137 H ALA 18 HN ALA 18 -5.562 -11.358 4.297 138 HA ALA 18 HA ALA 18 -8.030 -9.941 4.605 139 1HB ALA 18 HB2 ALA 18 -6.198 -10.297 2.223 140 2HB ALA 18 HB1 ALA 18 -7.598 -9.225 2.212 141 3HB ALA 18 HB3 ALA 18 -6.264 -8.921 3.327 142 H GLY 19 HN GLY 19 -7.172 -12.837 2.757 143 1HA GLY 19 HA2 GLY 19 -8.573 -14.465 1.804 144 2HA GLY 19 HA1 GLY 19 -9.917 -13.711 2.663 145 H ASP 20 HN ASP 20 -11.471 -13.093 1.236 146 HA ASP 20 HA ASP 20 -10.710 -12.410 -1.543 147 1HB ASP 20 HB2 ASP 20 -13.433 -12.688 -0.244 148 2HB ASP 20 HB1 ASP 20 -13.135 -12.453 -1.969 149 H LYS 21 HN LYS 21 -10.763 -10.672 1.212 150 HA LYS 21 HA LYS 21 -12.318 -8.359 0.348 151 1HB LYS 21 HB2 LYS 21 -10.258 -8.752 2.539 152 2HB LYS 21 HB1 LYS 21 -11.114 -7.235 2.272 153 1HG LYS 21 HG2 LYS 21 -13.277 -8.541 2.492 154 2HG LYS 21 HG1 LYS 21 -12.303 -9.908 3.038 155 1HD LYS 21 HD2 LYS 21 -11.373 -8.531 4.854 156 2HD LYS 21 HD1 LYS 21 -12.336 -7.157 4.310 157 1HE LYS 21 HE2 LYS 21 -13.561 -8.151 6.104 158 2HE LYS 21 HE1 LYS 21 -14.382 -8.638 4.620 159 1HZ LYS 21 HZ3 LYS 21 -12.269 -10.425 5.363 160 2HZ LYS 21 HZ2 LYS 21 -13.480 -10.319 6.552 161 3HZ LYS 21 HZ1 LYS 21 -13.881 -10.761 4.961 162 H LEU 22 HN LEU 22 -11.418 -6.358 -0.456 163 HA LEU 22 HA LEU 22 -9.232 -6.621 -2.246 164 1HB LEU 22 HB2 LEU 22 -11.203 -4.738 -1.791 165 2HB LEU 22 HB1 LEU 22 -9.783 -3.894 -1.200 166 HG LEU 22 HG LEU 22 -10.182 -5.040 -3.966 167 1HD1 LEU 22 HD11 LEU 22 -10.548 -2.374 -2.751 168 2HD1 LEU 22 HD13 LEU 22 -9.504 -2.339 -4.170 169 3HD1 LEU 22 HD12 LEU 22 -11.131 -3.003 -4.285 170 1HD2 LEU 22 HD22 LEU 22 -7.737 -3.914 -2.602 171 2HD2 LEU 22 HD21 LEU 22 -7.870 -5.377 -3.580 172 3HD2 LEU 22 HD23 LEU 22 -7.928 -3.794 -4.345 173 H VAL 23 HN VAL 23 -7.043 -5.593 -2.008 174 HA VAL 23 HA VAL 23 -6.219 -4.971 0.778 175 HB VAL 23 HB VAL 23 -4.838 -7.030 -0.973 176 1HG1 VAL 23 HG12 VAL 23 -4.173 -5.742 1.671 177 2HG1 VAL 23 HG11 VAL 23 -3.502 -7.309 1.221 178 3HG1 VAL 23 HG13 VAL 23 -3.159 -5.884 0.239 179 1HG2 VAL 23 HG22 VAL 23 -6.472 -7.266 1.565 180 2HG2 VAL 23 HG21 VAL 23 -6.778 -8.046 0.012 181 3HG2 VAL 23 HG23 VAL 23 -5.393 -8.535 0.985 182 H VAL 24 HN VAL 24 -5.325 -2.964 0.519 183 HA VAL 24 HA VAL 24 -3.798 -2.395 -1.985 184 HB VAL 24 HB VAL 24 -4.710 -0.464 0.181 185 1HG1 VAL 24 HG13 VAL 24 -2.781 0.214 -1.321 186 2HG1 VAL 24 HG12 VAL 24 -3.888 0.068 -2.687 187 3HG1 VAL 24 HG11 VAL 24 -4.198 1.260 -1.425 188 1HG2 VAL 24 HG22 VAL 24 -6.003 -1.401 -2.384 189 2HG2 VAL 24 HG21 VAL 24 -6.701 -1.356 -0.769 190 3HG2 VAL 24 HG23 VAL 24 -6.417 0.146 -1.650 191 H VAL 25 HN VAL 25 -1.577 -1.838 -1.861 192 HA VAL 25 HA VAL 25 -0.315 -2.024 0.866 193 HB VAL 25 HB VAL 25 0.860 -3.043 -1.739 194 1HG1 VAL 25 HG12 VAL 25 2.402 -2.330 0.182 195 2HG1 VAL 25 HG11 VAL 25 1.699 -3.658 1.101 196 3HG1 VAL 25 HG13 VAL 25 2.588 -3.987 -0.385 197 1HG2 VAL 25 HG22 VAL 25 -1.175 -4.314 -0.973 198 2HG2 VAL 25 HG21 VAL 25 0.300 -5.272 -0.976 199 3HG2 VAL 25 HG23 VAL 25 -0.335 -4.642 0.541 200 H ASP 26 HN ASP 26 0.725 -0.181 1.381 201 HA ASP 26 HA ASP 26 1.499 1.704 -0.809 202 1HB ASP 26 HB2 ASP 26 0.111 2.529 1.117 203 2HB ASP 26 HB1 ASP 26 1.477 2.195 2.181 204 H PHE 27 HN PHE 27 3.579 1.708 -1.445 205 HA PHE 27 HA PHE 27 5.683 0.563 0.325 206 1HB PHE 27 HB2 PHE 27 5.557 1.218 -2.623 207 2HB PHE 27 HB1 PHE 27 7.089 0.865 -1.821 208 HD1 PHE 27 HD1 PHE 27 7.404 -1.336 -0.666 209 HD2 PHE 27 HD2 PHE 27 4.001 -0.524 -3.157 210 HE1 PHE 27 HE1 PHE 27 6.958 -3.766 -0.854 211 HE2 PHE 27 HE2 PHE 27 3.556 -2.952 -3.336 212 HZ PHE 27 HZ PHE 27 5.036 -4.577 -2.193 213 H SER 28 HN SER 28 4.401 3.287 0.632 214 HA SER 28 HA SER 28 6.185 5.322 -0.200 215 1HB SER 28 HB2 SER 28 4.536 5.216 2.337 216 2HB SER 28 HB1 SER 28 5.244 6.664 1.641 217 HG SER 28 HG SER 28 2.916 5.897 1.129 218 H ALA 29 HN ALA 29 7.946 6.279 0.747 219 HA ALA 29 HA ALA 29 9.499 4.565 2.563 220 1HB ALA 29 HB2 ALA 29 10.029 6.982 0.861 221 2HB ALA 29 HB1 ALA 29 11.119 6.653 2.203 222 3HB ALA 29 HB3 ALA 29 10.906 5.456 0.926 223 H THR 30 HN THR 30 9.410 4.855 4.722 224 HA THR 30 HA THR 30 7.897 7.010 5.887 225 HB THR 30 HB THR 30 8.160 4.831 7.016 226 HG1 THR 30 HG1 THR 30 9.447 6.095 8.929 227 1HG2 THR 30 HG23 THR 30 10.566 4.566 6.170 228 2HG2 THR 30 HG22 THR 30 11.039 5.581 7.530 229 3HG2 THR 30 HG21 THR 30 10.251 4.031 7.821 230 H TRP 31 HN TRP 31 11.285 6.460 5.119 231 HA TRP 31 HA TRP 31 12.313 8.707 6.649 232 1HB TRP 31 HB2 TRP 31 14.369 8.383 5.380 233 2HB TRP 31 HB1 TRP 31 13.737 6.825 5.909 234 HD1 TRP 31 HD1 TRP 31 13.072 5.116 4.115 235 HE1 TRP 31 HE1 TRP 31 13.216 5.056 1.545 236 HE3 TRP 31 HE3 TRP 31 14.077 10.026 3.193 237 HZ2 TRP 31 HZ2 TRP 31 13.654 6.875 -0.625 238 HZ3 TRP 31 HZ3 TRP 31 14.331 10.842 0.871 239 HH2 TRP 31 HH2 TRP 31 14.128 9.273 -1.036 240 H CYS 32 HN CYS 32 10.855 8.400 3.463 241 HA CYS 32 HA CYS 32 11.807 11.061 2.624 242 1HB CYS 32 HB2 CYS 32 11.286 9.046 1.061 243 2HB CYS 32 HB1 CYS 32 9.594 9.466 1.301 244 H GLY 33 HN GLY 33 10.832 12.894 3.246 245 1HA GLY 33 HA2 GLY 33 8.560 12.911 4.979 246 2HA GLY 33 HA1 GLY 33 9.276 14.334 4.232 247 HA PRO 34 HA PRO 34 6.137 14.828 1.160 248 1HB PRO 34 HB2 PRO 34 7.532 13.288 -0.978 249 2HB PRO 34 HB1 PRO 34 6.952 14.961 -0.992 250 1HG PRO 34 HG2 PRO 34 9.598 14.309 -0.794 251 2HG PRO 34 HG1 PRO 34 8.915 15.788 -0.099 252 1HD PRO 34 HD2 PRO 34 9.873 13.348 1.289 253 2HD PRO 34 HD1 PRO 34 9.667 14.992 1.935 254 H ALA 35 HN ALA 35 7.462 11.550 1.237 255 HA ALA 35 HA ALA 35 5.013 10.322 0.236 256 1HB ALA 35 HB1 ALA 35 7.498 9.465 0.136 257 2HB ALA 35 HB3 ALA 35 7.136 8.810 1.733 258 3HB ALA 35 HB2 ALA 35 6.184 8.312 0.335 259 H LYS 36 HN LYS 36 6.661 10.437 3.403 260 HA LYS 36 HA LYS 36 4.650 9.051 4.866 261 1HB LYS 36 HB2 LYS 36 6.954 9.617 5.713 262 2HB LYS 36 HB1 LYS 36 6.402 11.278 5.936 263 1HG LYS 36 HG2 LYS 36 4.561 10.426 7.394 264 2HG LYS 36 HG1 LYS 36 5.236 8.805 7.245 265 1HD LYS 36 HD2 LYS 36 7.383 9.658 8.189 266 2HD LYS 36 HD1 LYS 36 6.614 11.227 8.429 267 1HE LYS 36 HE2 LYS 36 4.947 10.219 9.914 268 2HE LYS 36 HE1 LYS 36 5.646 8.622 9.637 269 1HZ LYS 36 HZ2 LYS 36 7.733 10.280 10.374 270 2HZ LYS 36 HZ1 LYS 36 6.471 10.624 11.456 271 3HZ LYS 36 HZ3 LYS 36 7.039 9.034 11.295 272 H MET 37 HN MET 37 5.017 12.476 4.066 273 HA MET 37 HA MET 37 2.929 13.525 5.663 274 1HB MET 37 HB2 MET 37 4.603 14.854 4.312 275 2HB MET 37 HB1 MET 37 3.664 14.457 2.873 276 1HG MET 37 HG2 MET 37 1.642 15.459 4.037 277 2HG MET 37 HG1 MET 37 2.739 16.037 5.289 278 1HE MET 37 HE1 MET 37 4.675 17.305 5.005 279 2HE MET 37 HE3 MET 37 5.451 16.960 3.454 280 3HE MET 37 HE2 MET 37 4.920 18.597 3.830 281 H ILE 38 HN ILE 38 2.831 11.694 2.683 282 HA ILE 38 HA ILE 38 0.013 12.325 2.171 283 HB ILE 38 HB ILE 38 1.840 10.296 0.845 284 1HG1 ILE 38 HG12 ILE 38 0.948 12.982 -0.228 285 2HG1 ILE 38 HG11 ILE 38 2.421 12.807 0.717 286 1HG2 ILE 38 HG22 ILE 38 -0.980 11.215 0.321 287 2HG2 ILE 38 HG21 ILE 38 0.039 10.722 -1.032 288 3HG2 ILE 38 HG23 ILE 38 -0.313 9.583 0.266 289 1HD1 ILE 38 HD13 ILE 38 3.169 11.043 -0.905 290 2HD1 ILE 38 HD12 ILE 38 1.763 11.423 -1.888 291 3HD1 ILE 38 HD11 ILE 38 3.010 12.643 -1.616 292 H LYS 39 HN LYS 39 1.487 10.241 4.355 293 HA LYS 39 HA LYS 39 -0.042 7.883 3.981 294 1HB LYS 39 HB2 LYS 39 0.638 7.135 6.093 295 2HB LYS 39 HB1 LYS 39 1.955 8.155 5.545 296 1HG LYS 39 HG2 LYS 39 1.429 9.877 7.068 297 2HG LYS 39 HG1 LYS 39 -0.215 9.309 7.329 298 1HD LYS 39 HD2 LYS 39 2.217 7.706 8.118 299 2HD LYS 39 HD1 LYS 39 1.431 8.847 9.205 300 1HE LYS 39 HE2 LYS 39 -0.127 7.279 9.744 301 2HE LYS 39 HE1 LYS 39 -0.596 7.121 8.053 302 1HZ LYS 39 HZ3 LYS 39 1.852 5.856 8.304 303 2HZ LYS 39 HZ2 LYS 39 0.934 5.360 9.646 304 3HZ LYS 39 HZ1 LYS 39 0.333 5.134 8.073 305 HA PRO 40 HA PRO 40 -3.223 9.838 7.116 306 1HB PRO 40 HB2 PRO 40 -3.652 12.413 5.681 307 2HB PRO 40 HB1 PRO 40 -3.592 12.091 7.425 308 1HG PRO 40 HG2 PRO 40 -1.582 13.358 6.187 309 2HG PRO 40 HG1 PRO 40 -1.266 12.208 7.496 310 1HD PRO 40 HD2 PRO 40 -0.963 11.832 4.548 311 2HD PRO 40 HD1 PRO 40 0.079 11.224 5.856 312 H PHE 41 HN PHE 41 -3.389 10.772 3.613 313 HA PHE 41 HA PHE 41 -6.226 10.223 3.499 314 1HB PHE 41 HB2 PHE 41 -4.106 10.255 1.321 315 2HB PHE 41 HB1 PHE 41 -5.822 10.044 1.017 316 HD1 PHE 41 HD2 PHE 41 -3.449 12.349 2.748 317 HD2 PHE 41 HD1 PHE 41 -7.193 11.912 0.682 318 HE1 PHE 41 HE2 PHE 41 -3.763 14.799 2.822 319 HE2 PHE 41 HE1 PHE 41 -7.515 14.373 0.766 320 HZ PHE 41 HZ PHE 41 -5.799 15.819 1.829 321 H PHE 42 HN PHE 42 -3.316 8.335 2.715 322 HA PHE 42 HA PHE 42 -4.625 5.951 1.881 323 1HB PHE 42 HB2 PHE 42 -2.247 6.330 1.509 324 2HB PHE 42 HB1 PHE 42 -1.947 6.385 3.250 325 HD1 PHE 42 HD1 PHE 42 -3.177 4.174 0.503 326 HD2 PHE 42 HD2 PHE 42 -1.583 4.406 4.489 327 HE1 PHE 42 HE1 PHE 42 -2.959 1.700 0.566 328 HE2 PHE 42 HE2 PHE 42 -1.357 1.940 4.543 329 HZ PHE 42 HZ PHE 42 -2.048 0.586 2.583 330 H HIS 43 HN HIS 43 -3.275 6.780 5.078 331 HA HIS 43 HA HIS 43 -4.314 4.454 6.408 332 1HB HIS 43 HB2 HIS 43 -2.376 5.744 7.227 333 2HB HIS 43 HB1 HIS 43 -3.420 7.132 7.523 334 HD1 HIS 43 HD1 HIS 43 -2.354 3.896 8.965 335 HD2 HIS 43 HD2 HIS 43 -5.276 6.760 9.692 336 HE1 HIS 43 HE1 HIS 43 -3.338 3.340 11.234 337 H SER 44 HN SER 44 -5.542 7.787 6.096 338 HA SER 44 HA SER 44 -7.716 7.539 7.916 339 1HB SER 44 HB2 SER 44 -7.523 9.257 5.426 340 2HB SER 44 HB1 SER 44 -8.736 9.434 6.687 341 HG SER 44 HG SER 44 -6.911 10.821 6.974 342 H LEU 45 HN LEU 45 -7.492 6.743 4.468 343 HA LEU 45 HA LEU 45 -10.252 6.232 4.020 344 1HB LEU 45 HB2 LEU 45 -7.765 5.121 2.743 345 2HB LEU 45 HB1 LEU 45 -9.371 4.712 2.166 346 HG LEU 45 HG LEU 45 -8.531 7.600 2.500 347 1HD1 LEU 45 HD12 LEU 45 -7.991 5.715 0.198 348 2HD1 LEU 45 HD11 LEU 45 -8.089 7.461 -0.033 349 3HD1 LEU 45 HD13 LEU 45 -6.852 6.779 1.024 350 1HD2 LEU 45 HD22 LEU 45 -10.660 6.130 0.931 351 2HD2 LEU 45 HD21 LEU 45 -10.877 7.379 2.151 352 3HD2 LEU 45 HD23 LEU 45 -10.215 7.793 0.576 353 H SER 46 HN SER 46 -7.866 4.341 5.704 354 HA SER 46 HA SER 46 -8.902 1.747 5.384 355 1HB SER 46 HB2 SER 46 -7.852 2.990 7.941 356 2HB SER 46 HB1 SER 46 -7.996 1.266 7.621 357 HG SER 46 HG SER 46 -6.597 1.669 5.774 358 H GLU 47 HN GLU 47 -10.016 4.419 7.378 359 HA GLU 47 HA GLU 47 -12.168 2.769 8.553 360 1HB GLU 47 HB2 GLU 47 -11.401 5.697 8.807 361 2HB GLU 47 HB1 GLU 47 -12.807 4.995 9.602 362 1HG GLU 47 HG2 GLU 47 -11.043 4.946 11.211 363 2HG GLU 47 HG1 GLU 47 -11.222 3.290 10.632 364 H LYS 48 HN LYS 48 -11.649 4.711 5.746 365 HA LYS 48 HA LYS 48 -14.472 5.471 5.466 366 1HB LYS 48 HB2 LYS 48 -12.608 6.804 4.397 367 2HB LYS 48 HB1 LYS 48 -12.336 5.436 3.312 368 1HG LYS 48 HG2 LYS 48 -14.702 5.569 2.571 369 2HG LYS 48 HG1 LYS 48 -14.929 6.982 3.602 370 1HD LYS 48 HD2 LYS 48 -13.079 8.113 2.347 371 2HD LYS 48 HD1 LYS 48 -13.046 6.737 1.247 372 1HE LYS 48 HE2 LYS 48 -15.278 7.164 0.496 373 2HE LYS 48 HE1 LYS 48 -15.559 8.324 1.796 374 1HZ LYS 48 HZ3 LYS 48 -13.325 9.244 0.520 375 2HZ LYS 48 HZ2 LYS 48 -14.330 8.721 -0.746 376 3HZ LYS 48 HZ1 LYS 48 -14.895 9.870 0.370 377 H TYR 49 HN TYR 49 -12.254 2.995 4.378 378 HA TYR 49 HA TYR 49 -14.580 1.383 3.356 379 1HB TYR 49 HB2 TYR 49 -11.728 1.458 2.293 380 2HB TYR 49 HB1 TYR 49 -12.985 0.350 1.748 381 HD1 TYR 49 HD2 TYR 49 -15.226 1.443 0.958 382 HD2 TYR 49 HD1 TYR 49 -11.482 3.535 1.206 383 HE1 TYR 49 HE2 TYR 49 -16.076 3.153 -0.620 384 HE2 TYR 49 HE1 TYR 49 -12.337 5.239 -0.376 385 HH TYR 49 HH TYR 49 -15.232 4.807 -2.166 386 H SER 50 HN SER 50 -14.403 0.898 5.795 387 HA SER 50 HA SER 50 -12.187 -0.581 6.830 388 1HB SER 50 HB2 SER 50 -13.637 -1.101 8.668 389 2HB SER 50 HB1 SER 50 -14.034 0.527 8.156 390 HG SER 50 HG SER 50 -15.978 -0.227 7.953 391 H ASN 51 HN ASN 51 -14.432 -1.372 4.472 392 HA ASN 51 HA ASN 51 -14.458 -4.270 5.046 393 1HB ASN 51 HB2 ASN 51 -16.452 -3.031 4.080 394 2HB ASN 51 HB1 ASN 51 -15.515 -2.837 2.600 395 1HD2 ASN 51 HD22 ASN 51 -16.223 -6.092 1.477 396 2HD2 ASN 51 HD21 ASN 51 -15.658 -4.532 1.117 397 H VAL 52 HN VAL 52 -12.216 -2.245 4.003 398 HA VAL 52 HA VAL 52 -11.006 -4.212 2.110 399 HB VAL 52 HB VAL 52 -10.984 -1.181 1.996 400 1HG1 VAL 52 HG13 VAL 52 -9.054 -3.197 0.875 401 2HG1 VAL 52 HG12 VAL 52 -9.443 -1.775 -0.093 402 3HG1 VAL 52 HG11 VAL 52 -8.740 -1.585 1.510 403 1HG2 VAL 52 HG21 VAL 52 -11.785 -3.376 0.057 404 2HG2 VAL 52 HG23 VAL 52 -12.861 -2.220 0.845 405 3HG2 VAL 52 HG22 VAL 52 -11.708 -1.667 -0.369 406 H ILE 53 HN ILE 53 -8.766 -4.601 2.501 407 HA ILE 53 HA ILE 53 -7.841 -3.647 5.187 408 HB ILE 53 HB ILE 53 -6.621 -5.804 3.436 409 1HG1 ILE 53 HG12 ILE 53 -8.913 -6.483 3.851 410 2HG1 ILE 53 HG11 ILE 53 -7.875 -7.396 4.944 411 1HG2 ILE 53 HG23 ILE 53 -5.465 -4.646 5.549 412 2HG2 ILE 53 HG22 ILE 53 -6.498 -5.754 6.444 413 3HG2 ILE 53 HG21 ILE 53 -5.331 -6.380 5.280 414 1HD1 ILE 53 HD12 ILE 53 -8.343 -5.522 6.663 415 2HD1 ILE 53 HD11 ILE 53 -9.660 -5.047 5.591 416 3HD1 ILE 53 HD13 ILE 53 -9.652 -6.653 6.320 417 H PHE 54 HN PHE 54 -6.365 -2.004 5.236 418 HA PHE 54 HA PHE 54 -4.759 -1.412 2.773 419 1HB PHE 54 HB2 PHE 54 -5.397 0.260 5.223 420 2HB PHE 54 HB1 PHE 54 -4.304 0.774 3.942 421 HD1 PHE 54 HD1 PHE 54 -7.799 -0.456 4.502 422 HD2 PHE 54 HD2 PHE 54 -5.169 1.911 2.059 423 HE1 PHE 54 HE1 PHE 54 -9.750 0.404 3.230 424 HE2 PHE 54 HE2 PHE 54 -7.124 2.755 0.778 425 HZ PHE 54 HZ PHE 54 -9.407 1.999 1.364 426 H LEU 55 HN LEU 55 -2.609 -1.968 2.800 427 HA LEU 55 HA LEU 55 -1.290 -2.504 5.447 428 1HB LEU 55 HB2 LEU 55 -0.688 -3.598 2.682 429 2HB LEU 55 HB1 LEU 55 0.410 -3.791 4.047 430 HG LEU 55 HG LEU 55 -1.295 -5.035 5.281 431 1HD1 LEU 55 HD12 LEU 55 -3.045 -4.192 2.992 432 2HD1 LEU 55 HD11 LEU 55 -3.388 -5.701 3.843 433 3HD1 LEU 55 HD13 LEU 55 -3.369 -4.185 4.724 434 1HD2 LEU 55 HD22 LEU 55 -0.727 -5.925 2.450 435 2HD2 LEU 55 HD21 LEU 55 0.024 -6.477 3.944 436 3HD2 LEU 55 HD23 LEU 55 -1.630 -6.952 3.559 437 H GLU 56 HN GLU 56 0.630 -1.502 5.922 438 HA GLU 56 HA GLU 56 1.566 0.618 4.012 439 1HB GLU 56 HB2 GLU 56 0.734 1.333 6.320 440 2HB GLU 56 HB1 GLU 56 2.104 0.452 6.998 441 1HG GLU 56 HG2 GLU 56 3.629 1.830 5.561 442 2HG GLU 56 HG1 GLU 56 2.229 2.775 5.052 443 H VAL 57 HN VAL 57 3.650 0.357 3.224 444 HA VAL 57 HA VAL 57 5.377 -1.724 4.545 445 HB VAL 57 HB VAL 57 5.010 -1.297 1.569 446 1HG1 VAL 57 HG13 VAL 57 6.551 -3.349 3.179 447 2HG1 VAL 57 HG12 VAL 57 6.310 -3.415 1.434 448 3HG1 VAL 57 HG11 VAL 57 7.243 -2.098 2.144 449 1HG2 VAL 57 HG21 VAL 57 3.954 -3.374 3.498 450 2HG2 VAL 57 HG23 VAL 57 3.020 -2.290 2.468 451 3HG2 VAL 57 HG22 VAL 57 3.961 -3.594 1.747 452 H ASP 58 HN ASP 58 7.455 -1.124 4.859 453 HA ASP 58 HA ASP 58 8.353 1.560 3.947 454 1HB ASP 58 HB2 ASP 58 8.491 0.813 6.363 455 2HB ASP 58 HB1 ASP 58 9.690 -0.373 5.837 456 H VAL 59 HN VAL 59 9.629 1.634 2.128 457 HA VAL 59 HA VAL 59 10.707 -0.785 0.952 458 HB VAL 59 HB VAL 59 11.942 0.792 -0.543 459 1HG1 VAL 59 HG12 VAL 59 9.016 1.351 -0.002 460 2HG1 VAL 59 HG11 VAL 59 9.867 1.955 -1.424 461 3HG1 VAL 59 HG13 VAL 59 9.689 0.219 -1.173 462 1HG2 VAL 59 HG23 VAL 59 12.375 2.542 1.181 463 2HG2 VAL 59 HG22 VAL 59 11.628 3.205 -0.272 464 3HG2 VAL 59 HG21 VAL 59 10.657 2.936 1.175 465 H ASP 60 HN ASP 60 11.760 1.377 3.423 466 HA ASP 60 HA ASP 60 14.597 0.544 3.164 467 1HB ASP 60 HB2 ASP 60 13.106 2.546 4.839 468 2HB ASP 60 HB1 ASP 60 14.735 2.067 5.278 469 H ASP 61 HN ASP 61 11.943 0.168 5.571 470 HA ASP 61 HA ASP 61 13.700 -1.699 7.100 471 1HB ASP 61 HB2 ASP 61 10.865 -0.766 7.687 472 2HB ASP 61 HB1 ASP 61 11.880 -1.727 8.752 473 H ALA 62 HN ALA 62 11.138 -1.674 4.796 474 HA ALA 62 HA ALA 62 10.825 -4.645 5.045 475 1HB ALA 62 HB3 ALA 62 8.797 -2.946 5.386 476 2HB ALA 62 HB2 ALA 62 8.784 -2.966 3.626 477 3HB ALA 62 HB1 ALA 62 8.564 -4.466 4.523 478 H GLN 63 HN GLN 63 12.940 -3.362 3.670 479 HA GLN 63 HA GLN 63 12.497 -2.926 0.906 480 1HB GLN 63 HB2 GLN 63 14.881 -3.189 0.634 481 2HB GLN 63 HB1 GLN 63 14.608 -2.392 2.183 482 1HG GLN 63 HG2 GLN 63 14.726 -4.678 3.267 483 2HG GLN 63 HG1 GLN 63 15.276 -5.307 1.713 484 1HE2 GLN 63 HE22 GLN 63 18.234 -2.988 1.964 485 2HE2 GLN 63 HE21 GLN 63 16.908 -3.073 0.908 486 H ASP 64 HN ASP 64 12.584 -5.877 2.727 487 HA ASP 64 HA ASP 64 13.272 -7.651 0.601 488 1HB ASP 64 HB2 ASP 64 12.026 -9.364 2.003 489 2HB ASP 64 HB1 ASP 64 13.303 -8.497 2.848 490 H VAL 65 HN VAL 65 10.199 -6.252 1.677 491 HA VAL 65 HA VAL 65 8.580 -7.757 -0.192 492 HB VAL 65 HB VAL 65 7.923 -5.030 0.956 493 1HG1 VAL 65 HG12 VAL 65 6.452 -6.055 -0.803 494 2HG1 VAL 65 HG11 VAL 65 6.165 -7.405 0.294 495 3HG1 VAL 65 HG13 VAL 65 5.636 -5.782 0.737 496 1HG2 VAL 65 HG22 VAL 65 7.979 -7.725 2.287 497 2HG2 VAL 65 HG21 VAL 65 8.492 -6.166 2.919 498 3HG2 VAL 65 HG23 VAL 65 6.776 -6.536 2.774 499 H ALA 66 HN ALA 66 9.961 -4.488 -0.177 500 HA ALA 66 HA ALA 66 8.834 -3.732 -2.702 501 1HB ALA 66 HB2 ALA 66 9.853 -2.281 -0.767 502 2HB ALA 66 HB1 ALA 66 11.362 -2.489 -1.657 503 3HB ALA 66 HB3 ALA 66 9.972 -1.730 -2.435 504 H SER 67 HN SER 67 12.014 -5.086 -1.819 505 HA SER 67 HA SER 67 13.176 -4.797 -4.418 506 1HB SER 67 HB2 SER 67 14.773 -6.499 -3.694 507 2HB SER 67 HB1 SER 67 14.463 -5.387 -2.361 508 HG SER 67 HG SER 67 12.630 -7.287 -2.257 509 H GLU 68 HN GLU 68 11.038 -7.191 -3.013 510 HA GLU 68 HA GLU 68 11.267 -9.190 -5.051 511 1HB GLU 68 HB2 GLU 68 10.183 -9.527 -2.824 512 2HB GLU 68 HB1 GLU 68 8.846 -8.504 -3.349 513 1HG GLU 68 HG2 GLU 68 8.466 -10.079 -5.265 514 2HG GLU 68 HG1 GLU 68 9.711 -11.131 -4.592 515 H ALA 69 HN ALA 69 9.211 -6.323 -4.695 516 HA ALA 69 HA ALA 69 7.897 -6.831 -7.283 517 1HB ALA 69 HB2 ALA 69 6.623 -5.871 -5.366 518 2HB ALA 69 HB1 ALA 69 7.661 -4.447 -5.428 519 3HB ALA 69 HB3 ALA 69 6.599 -4.824 -6.785 520 H GLU 70 HN GLU 70 10.844 -5.633 -6.420 521 HA GLU 70 HA GLU 70 12.395 -4.225 -7.482 522 1HB GLU 70 HB2 GLU 70 10.574 -4.675 -9.868 523 2HB GLU 70 HB1 GLU 70 12.212 -4.035 -9.932 524 1HG GLU 70 HG2 GLU 70 11.482 -6.764 -8.851 525 2HG GLU 70 HG1 GLU 70 12.100 -6.452 -10.472 526 H VAL 71 HN VAL 71 10.620 -2.751 -5.989 527 HA VAL 71 HA VAL 71 9.130 -0.851 -7.521 528 HB VAL 71 HB VAL 71 10.442 -0.347 -4.833 529 1HG1 VAL 71 HG12 VAL 71 8.031 0.803 -6.283 530 2HG1 VAL 71 HG11 VAL 71 8.412 1.138 -4.597 531 3HG1 VAL 71 HG13 VAL 71 9.522 1.652 -5.870 532 1HG2 VAL 71 HG21 VAL 71 7.860 -1.756 -5.597 533 2HG2 VAL 71 HG23 VAL 71 9.185 -2.401 -4.629 534 3HG2 VAL 71 HG22 VAL 71 8.157 -1.126 -3.978 535 H LYS 72 HN LYS 72 9.778 0.871 -8.651 536 HA LYS 72 HA LYS 72 12.669 1.549 -8.662 537 1HB LYS 72 HB2 LYS 72 10.481 2.030 -10.691 538 2HB LYS 72 HB1 LYS 72 12.155 2.536 -10.892 539 1HG LYS 72 HG2 LYS 72 11.350 -0.357 -10.393 540 2HG LYS 72 HG1 LYS 72 11.556 0.324 -12.007 541 1HD LYS 72 HD2 LYS 72 13.910 1.062 -11.179 542 2HD LYS 72 HD1 LYS 72 13.649 -0.086 -9.868 543 1HE LYS 72 HE2 LYS 72 13.565 -0.725 -12.825 544 2HE LYS 72 HE1 LYS 72 14.844 -1.174 -11.697 545 1HZ LYS 72 HZ3 LYS 72 13.054 -2.332 -10.388 546 2HZ LYS 72 HZ2 LYS 72 12.037 -2.113 -11.731 547 3HZ LYS 72 HZ1 LYS 72 13.453 -3.040 -11.876 548 H ALA 73 HN ALA 73 9.689 2.737 -7.551 549 HA ALA 73 HA ALA 73 10.945 5.246 -6.780 550 1HB ALA 73 HB1 ALA 73 9.072 5.128 -9.088 551 2HB ALA 73 HB3 ALA 73 8.914 6.493 -7.987 552 3HB ALA 73 HB2 ALA 73 10.443 6.202 -8.812 553 H THR 74 HN THR 74 9.718 6.429 -5.238 554 HA THR 74 HA THR 74 7.237 5.084 -4.225 555 HB THR 74 HB THR 74 7.963 5.538 -1.941 556 HG1 THR 74 HG1 THR 74 9.803 7.133 -3.286 557 1HG2 THR 74 HG21 THR 74 10.304 4.495 -3.520 558 2HG2 THR 74 HG23 THR 74 10.053 4.272 -1.794 559 3HG2 THR 74 HG22 THR 74 8.947 3.529 -2.951 560 HA PRO 75 HA PRO 75 5.844 5.740 -2.455 561 1HB PRO 75 HB2 PRO 75 3.257 6.711 -2.490 562 2HB PRO 75 HB1 PRO 75 4.483 7.187 -1.308 563 1HG PRO 75 HG2 PRO 75 3.393 8.727 -3.592 564 2HG PRO 75 HG1 PRO 75 4.166 9.310 -2.110 565 1HD PRO 75 HD2 PRO 75 5.363 9.133 -4.702 566 2HD PRO 75 HD1 PRO 75 6.201 9.505 -3.170 567 H THR 76 HN THR 76 4.833 3.870 -3.128 568 HA THR 76 HA THR 76 3.435 3.912 -5.775 569 HB THR 76 HB THR 76 5.384 1.779 -4.853 570 HG1 THR 76 HG1 THR 76 5.945 4.025 -5.862 571 1HG2 THR 76 HG21 THR 76 3.596 2.080 -7.262 572 2HG2 THR 76 HG23 THR 76 4.990 1.001 -7.259 573 3HG2 THR 76 HG22 THR 76 3.662 0.731 -6.129 574 H PHE 77 HN PHE 77 1.547 2.869 -5.738 575 HA PHE 77 HA PHE 77 0.824 1.356 -3.250 576 1HB PHE 77 HB2 PHE 77 -0.952 2.815 -5.231 577 2HB PHE 77 HB1 PHE 77 -1.477 2.038 -3.735 578 HD1 PHE 77 HD1 PHE 77 -0.843 2.989 -1.521 579 HD2 PHE 77 HD2 PHE 77 0.246 4.914 -5.205 580 HE1 PHE 77 HE1 PHE 77 -0.316 5.071 -0.281 581 HE2 PHE 77 HE2 PHE 77 0.773 6.995 -3.965 582 HZ PHE 77 HZ PHE 77 0.494 7.077 -1.504 583 H GLN 78 HN GLN 78 0.270 -0.789 -3.525 584 HA GLN 78 HA GLN 78 -0.218 -1.759 -6.328 585 1HB GLN 78 HB2 GLN 78 1.328 -3.074 -4.087 586 2HB GLN 78 HB1 GLN 78 0.823 -3.919 -5.551 587 1HG GLN 78 HG2 GLN 78 2.046 -2.178 -6.897 588 2HG GLN 78 HG1 GLN 78 2.670 -1.516 -5.384 589 1HE2 GLN 78 HE22 GLN 78 5.386 -3.761 -5.872 590 2HE2 GLN 78 HE21 GLN 78 4.895 -2.138 -5.905 591 H PHE 79 HN PHE 79 -1.895 -3.193 -6.589 592 HA PHE 79 HA PHE 79 -3.649 -3.572 -4.184 593 1HB PHE 79 HB2 PHE 79 -4.291 -3.540 -7.140 594 2HB PHE 79 HB1 PHE 79 -5.462 -3.858 -5.854 595 HD1 PHE 79 HD2 PHE 79 -3.025 -1.353 -7.133 596 HD2 PHE 79 HD1 PHE 79 -6.375 -2.084 -4.565 597 HE1 PHE 79 HE2 PHE 79 -3.224 1.081 -6.704 598 HE2 PHE 79 HE1 PHE 79 -6.577 0.344 -4.127 599 HZ PHE 79 HZ PHE 79 -5.004 1.928 -5.194 600 H PHE 80 HN PHE 80 -4.098 -5.533 -3.461 601 HA PHE 80 HA PHE 80 -3.462 -7.908 -5.153 602 1HB PHE 80 HB2 PHE 80 -2.939 -7.490 -2.210 603 2HB PHE 80 HB1 PHE 80 -2.901 -9.074 -2.980 604 HD1 PHE 80 HD2 PHE 80 -1.292 -5.727 -2.845 605 HD2 PHE 80 HD1 PHE 80 -1.110 -9.722 -4.425 606 HE1 PHE 80 HE2 PHE 80 1.048 -5.340 -3.576 607 HE2 PHE 80 HE1 PHE 80 1.227 -9.326 -5.156 608 HZ PHE 80 HZ PHE 80 2.304 -7.136 -4.729 609 H LYS 81 HN LYS 81 -4.951 -9.630 -5.013 610 HA LYS 81 HA LYS 81 -7.166 -9.379 -3.057 611 1HB LYS 81 HB2 LYS 81 -7.741 -8.101 -5.243 612 2HB LYS 81 HB1 LYS 81 -7.828 -9.695 -5.997 613 1HG LYS 81 HG2 LYS 81 -9.448 -10.380 -4.206 614 2HG LYS 81 HG1 LYS 81 -9.436 -8.722 -3.623 615 1HD LYS 81 HD2 LYS 81 -10.004 -8.229 -6.217 616 2HD LYS 81 HD1 LYS 81 -10.673 -9.856 -6.105 617 1HE LYS 81 HE2 LYS 81 -12.528 -8.645 -5.428 618 2HE LYS 81 HE1 LYS 81 -11.751 -8.838 -3.857 619 1HZ LYS 81 HZ1 LYS 81 -11.282 -6.526 -5.653 620 2HZ LYS 81 HZ3 LYS 81 -12.418 -6.529 -4.395 621 3HZ LYS 81 HZ2 LYS 81 -10.766 -6.708 -4.046 622 H LYS 82 HN LYS 82 -7.679 -11.400 -2.363 623 HA LYS 82 HA LYS 82 -7.534 -13.730 -2.138 624 1HB LYS 82 HB2 LYS 82 -7.622 -13.618 -5.183 625 2HB LYS 82 HB1 LYS 82 -7.811 -15.076 -4.216 626 1HG LYS 82 HG2 LYS 82 -9.749 -13.927 -3.049 627 2HG LYS 82 HG1 LYS 82 -9.638 -12.672 -4.280 628 1HD LYS 82 HD2 LYS 82 -9.916 -14.408 -6.043 629 2HD LYS 82 HD1 LYS 82 -10.130 -15.621 -4.779 630 1HE LYS 82 HE2 LYS 82 -12.328 -14.920 -5.488 631 2HE LYS 82 HE1 LYS 82 -12.041 -14.230 -3.892 632 1HZ LYS 82 HZ1 LYS 82 -11.240 -12.656 -6.219 633 2HZ LYS 82 HZ3 LYS 82 -12.898 -12.774 -5.886 634 3HZ LYS 82 HZ2 LYS 82 -11.843 -12.142 -4.715 635 H GLY 83 HN GLY 83 -5.121 -11.991 -2.432 636 1HA GLY 83 HA2 GLY 83 -2.821 -12.428 -2.259 637 2HA GLY 83 HA1 GLY 83 -3.155 -14.125 -2.598 638 H GLN 84 HN GLN 84 -4.482 -11.869 -4.839 639 HA GLN 84 HA GLN 84 -2.296 -12.484 -6.795 640 1HB GLN 84 HB2 GLN 84 -5.237 -11.990 -7.366 641 2HB GLN 84 HB1 GLN 84 -4.001 -12.342 -8.565 642 1HG GLN 84 HG2 GLN 84 -4.789 -14.221 -6.323 643 2HG GLN 84 HG1 GLN 84 -5.376 -14.334 -7.980 644 1HE2 GLN 84 HE22 GLN 84 -1.459 -15.270 -7.195 645 2HE2 GLN 84 HE21 GLN 84 -2.314 -14.257 -6.132 646 H LYS 85 HN LYS 85 -1.378 -10.751 -7.872 647 HA LYS 85 HA LYS 85 -2.101 -8.040 -6.976 648 1HB LYS 85 HB2 LYS 85 0.256 -8.728 -7.399 649 2HB LYS 85 HB1 LYS 85 -0.135 -8.942 -9.104 650 1HG LYS 85 HG2 LYS 85 -0.799 -6.564 -9.236 651 2HG LYS 85 HG1 LYS 85 -0.360 -6.358 -7.541 652 1HD LYS 85 HD2 LYS 85 1.957 -7.037 -8.063 653 2HD LYS 85 HD1 LYS 85 1.514 -7.215 -9.762 654 1HE LYS 85 HE2 LYS 85 1.219 -4.650 -8.189 655 2HE LYS 85 HE1 LYS 85 2.584 -5.007 -9.250 656 1HZ LYS 85 HZ1 LYS 85 0.356 -5.578 -10.739 657 2HZ LYS 85 HZ3 LYS 85 -0.049 -4.147 -9.923 658 3HZ LYS 85 HZ2 LYS 85 1.345 -4.206 -10.893 659 H VAL 86 HN VAL 86 -3.674 -6.879 -7.940 660 HA VAL 86 HA VAL 86 -4.385 -7.486 -10.793 661 HB VAL 86 HB VAL 86 -6.706 -6.774 -10.122 662 1HG1 VAL 86 HG13 VAL 86 -5.857 -9.193 -10.193 663 2HG1 VAL 86 HG12 VAL 86 -5.689 -9.084 -8.441 664 3HG1 VAL 86 HG11 VAL 86 -7.277 -8.908 -9.189 665 1HG2 VAL 86 HG22 VAL 86 -5.865 -5.521 -8.069 666 2HG2 VAL 86 HG21 VAL 86 -7.252 -6.571 -7.781 667 3HG2 VAL 86 HG23 VAL 86 -5.636 -7.091 -7.303 668 H GLY 87 HN GLY 87 -2.755 -5.195 -9.184 669 1HA GLY 87 HA2 GLY 87 -3.264 -3.173 -11.145 670 2HA GLY 87 HA1 GLY 87 -4.180 -2.776 -9.696 671 H GLU 88 HN GLU 88 -2.007 -1.243 -10.814 672 HA GLU 88 HA GLU 88 -0.425 -0.850 -8.414 673 1HB GLU 88 HB2 GLU 88 1.086 -2.496 -9.009 674 2HB GLU 88 HB1 GLU 88 0.641 -2.422 -10.704 675 1HG GLU 88 HG2 GLU 88 2.982 -1.698 -10.277 676 2HG GLU 88 HG1 GLU 88 2.016 -0.428 -11.021 677 H PHE 89 HN PHE 89 0.645 1.178 -8.452 678 HA PHE 89 HA PHE 89 1.040 2.654 -10.889 679 1HB PHE 89 HB2 PHE 89 -0.622 4.315 -10.797 680 2HB PHE 89 HB1 PHE 89 -1.490 2.811 -10.539 681 HD1 PHE 89 HD1 PHE 89 0.043 5.710 -8.742 682 HD2 PHE 89 HD2 PHE 89 -2.792 2.492 -8.586 683 HE1 PHE 89 HE1 PHE 89 -0.905 6.653 -6.649 684 HE2 PHE 89 HE2 PHE 89 -3.737 3.423 -6.486 685 HZ PHE 89 HZ PHE 89 -2.814 5.519 -5.528 686 H SER 90 HN SER 90 1.968 4.800 -10.490 687 HA SER 90 HA SER 90 3.002 5.135 -7.693 688 1HB SER 90 HB2 SER 90 5.124 5.918 -8.654 689 2HB SER 90 HB1 SER 90 4.790 4.257 -9.154 690 HG SER 90 HG SER 90 5.315 5.333 -10.997 691 H GLY 91 HN GLY 91 3.665 7.353 -7.225 692 1HA GLY 91 HA2 GLY 91 3.666 9.719 -8.091 693 2HA GLY 91 HA1 GLY 91 2.109 9.369 -8.828 694 H ALA 92 HN ALA 92 2.999 11.283 -6.637 695 HA ALA 92 HA ALA 92 1.644 10.298 -4.244 696 1HB ALA 92 HB2 ALA 92 2.992 12.840 -5.103 697 2HB ALA 92 HB1 ALA 92 1.964 12.864 -3.671 698 3HB ALA 92 HB3 ALA 92 3.363 11.789 -3.737 699 H ASN 93 HN ASN 93 -0.368 9.860 -5.739 700 HA ASN 93 HA ASN 93 -2.147 12.274 -5.666 701 1HB ASN 93 HB2 ASN 93 -1.687 11.484 -7.987 702 2HB ASN 93 HB1 ASN 93 -2.381 9.918 -7.553 703 1HD2 ASN 93 HD22 ASN 93 -4.829 13.026 -8.366 704 2HD2 ASN 93 HD21 ASN 93 -3.144 13.157 -8.510 705 H LYS 94 HN LYS 94 -3.084 11.911 -3.681 706 HA LYS 94 HA LYS 94 -3.794 9.323 -2.661 707 1HB LYS 94 HB2 LYS 94 -5.135 10.667 -1.030 708 2HB LYS 94 HB1 LYS 94 -3.446 11.134 -1.133 709 1HG LYS 94 HG2 LYS 94 -5.217 12.602 -3.014 710 2HG LYS 94 HG1 LYS 94 -5.601 12.887 -1.323 711 1HD LYS 94 HD2 LYS 94 -3.151 13.409 -0.950 712 2HD LYS 94 HD1 LYS 94 -2.941 13.344 -2.703 713 1HE LYS 94 HE2 LYS 94 -4.679 15.075 -2.960 714 2HE LYS 94 HE1 LYS 94 -4.849 15.146 -1.204 715 1HZ LYS 94 HZ3 LYS 94 -2.143 15.385 -1.776 716 2HZ LYS 94 HZ2 LYS 94 -2.948 16.429 -2.848 717 3HZ LYS 94 HZ1 LYS 94 -3.178 16.584 -1.171 718 H GLU 95 HN GLU 95 -5.629 11.676 -4.601 719 HA GLU 95 HA GLU 95 -8.195 10.471 -4.168 720 1HB GLU 95 HB2 GLU 95 -7.180 12.043 -6.562 721 2HB GLU 95 HB1 GLU 95 -8.870 11.686 -6.214 722 1HG GLU 95 HG2 GLU 95 -7.056 13.182 -4.306 723 2HG GLU 95 HG1 GLU 95 -8.131 13.976 -5.455 724 H LYS 96 HN LYS 96 -5.515 9.696 -6.242 725 HA LYS 96 HA LYS 96 -6.809 8.057 -8.175 726 1HB LYS 96 HB2 LYS 96 -4.415 8.895 -8.154 727 2HB LYS 96 HB1 LYS 96 -4.052 7.635 -6.999 728 1HG LYS 96 HG2 LYS 96 -4.418 5.915 -8.546 729 2HG LYS 96 HG1 LYS 96 -5.361 6.946 -9.621 730 1HD LYS 96 HD2 LYS 96 -2.480 7.682 -9.081 731 2HD LYS 96 HD1 LYS 96 -2.827 6.358 -10.203 732 1HE LYS 96 HE2 LYS 96 -4.314 7.867 -11.504 733 2HE LYS 96 HE1 LYS 96 -3.914 9.185 -10.406 734 1HZ LYS 96 HZ3 LYS 96 -1.937 7.687 -12.043 735 2HZ LYS 96 HZ2 LYS 96 -2.576 9.211 -12.443 736 3HZ LYS 96 HZ1 LYS 96 -1.616 9.027 -11.053 737 H LEU 97 HN LEU 97 -5.671 7.438 -4.911 738 HA LEU 97 HA LEU 97 -5.913 4.603 -4.874 739 1HB LEU 97 HB2 LEU 97 -6.327 6.708 -2.733 740 2HB LEU 97 HB1 LEU 97 -6.380 4.988 -2.390 741 HG LEU 97 HG LEU 97 -4.014 6.349 -3.697 742 1HD1 LEU 97 HD13 LEU 97 -4.415 7.277 -1.444 743 2HD1 LEU 97 HD12 LEU 97 -4.469 5.646 -0.779 744 3HD1 LEU 97 HD11 LEU 97 -2.966 6.269 -1.457 745 1HD2 LEU 97 HD23 LEU 97 -4.564 3.593 -2.563 746 2HD2 LEU 97 HD22 LEU 97 -3.856 4.015 -4.119 747 3HD2 LEU 97 HD21 LEU 97 -2.927 4.220 -2.649 748 H GLU 98 HN GLU 98 -8.216 7.186 -4.373 749 HA GLU 98 HA GLU 98 -10.395 5.578 -3.464 750 1HB GLU 98 HB2 GLU 98 -10.280 8.068 -3.301 751 2HB GLU 98 HB1 GLU 98 -10.552 8.164 -5.039 752 1HG GLU 98 HG2 GLU 98 -12.674 8.476 -3.877 753 2HG GLU 98 HG1 GLU 98 -12.708 6.936 -4.733 754 H ALA 99 HN ALA 99 -9.545 6.597 -6.781 755 HA ALA 99 HA ALA 99 -11.889 5.405 -7.947 756 1HB ALA 99 HB3 ALA 99 -9.210 6.075 -9.191 757 2HB ALA 99 HB2 ALA 99 -10.639 5.588 -10.102 758 3HB ALA 99 HB1 ALA 99 -10.652 7.091 -9.180 759 H THR 100 HN THR 100 -8.568 4.138 -7.564 760 HA THR 100 HA THR 100 -9.090 1.725 -9.010 761 HB THR 100 HB THR 100 -7.104 2.025 -6.746 762 HG1 THR 100 HG1 THR 100 -7.146 2.970 -9.386 763 1HG2 THR 100 HG22 THR 100 -7.297 0.271 -9.209 764 2HG2 THR 100 HG21 THR 100 -5.833 0.420 -8.240 765 3HG2 THR 100 HG23 THR 100 -7.300 -0.249 -7.525 766 H ILE 101 HN ILE 101 -9.425 2.528 -5.571 767 HA ILE 101 HA ILE 101 -10.067 -0.103 -4.628 768 HB ILE 101 HB ILE 101 -10.903 2.659 -3.673 769 1HG1 ILE 101 HG12 ILE 101 -9.054 0.700 -2.295 770 2HG1 ILE 101 HG11 ILE 101 -8.442 1.750 -3.571 771 1HG2 ILE 101 HG23 ILE 101 -11.472 -0.074 -2.506 772 2HG2 ILE 101 HG22 ILE 101 -11.479 1.390 -1.524 773 3HG2 ILE 101 HG21 ILE 101 -12.615 1.222 -2.861 774 1HD1 ILE 101 HD11 ILE 101 -9.395 3.715 -2.272 775 2HD1 ILE 101 HD13 ILE 101 -9.727 2.588 -0.956 776 3HD1 ILE 101 HD12 ILE 101 -8.066 2.877 -1.474 777 H ASN 102 HN ASN 102 -12.143 2.570 -5.730 778 HA ASN 102 HA ASN 102 -14.628 1.187 -5.565 779 1HB ASN 102 HB2 ASN 102 -14.420 3.644 -5.898 780 2HB ASN 102 HB1 ASN 102 -13.769 3.360 -7.512 781 1HD2 ASN 102 HD22 ASN 102 -17.734 3.464 -7.032 782 2HD2 ASN 102 HD21 ASN 102 -16.629 4.009 -5.864 783 H GLU 103 HN GLU 103 -12.116 1.318 -8.012 784 HA GLU 103 HA GLU 103 -13.563 0.003 -10.106 785 1HB GLU 103 HB2 GLU 103 -11.384 1.348 -10.265 786 2HB GLU 103 HB1 GLU 103 -10.572 -0.085 -9.644 787 1HG GLU 103 HG2 GLU 103 -12.349 -0.160 -12.095 788 2HG GLU 103 HG1 GLU 103 -10.609 0.106 -12.176 789 H LEU 104 HN LEU 104 -11.432 -1.203 -7.500 790 HA LEU 104 HA LEU 104 -11.947 -4.004 -8.381 791 1HB LEU 104 HB2 LEU 104 -10.033 -2.874 -6.333 792 2HB LEU 104 HB1 LEU 104 -10.186 -4.584 -6.706 793 HG LEU 104 HG LEU 104 -9.468 -2.449 -8.740 794 1HD1 LEU 104 HD11 LEU 104 -7.737 -4.322 -7.106 795 2HD1 LEU 104 HD13 LEU 104 -7.160 -3.459 -8.532 796 3HD1 LEU 104 HD12 LEU 104 -7.693 -2.559 -7.112 797 1HD2 LEU 104 HD21 LEU 104 -9.660 -5.470 -8.789 798 2HD2 LEU 104 HD23 LEU 104 -10.304 -4.309 -9.949 799 3HD2 LEU 104 HD22 LEU 104 -8.574 -4.630 -9.895 800 H VAL 105 HN VAL 105 -13.434 -1.844 -6.297 801 HA VAL 105 HA VAL 105 -13.777 -3.493 -3.963 802 HB VAL 105 HB VAL 105 -14.355 -1.004 -4.166 803 1HG1 VAL 105 HG11 VAL 105 -15.806 -1.533 -6.286 804 2HG1 VAL 105 HG13 VAL 105 -17.060 -1.940 -5.118 805 3HG1 VAL 105 HG12 VAL 105 -16.375 -0.315 -5.149 806 1HG2 VAL 105 HG22 VAL 105 -16.442 -2.886 -3.024 807 2HG2 VAL 105 HG21 VAL 105 -14.967 -2.373 -2.205 808 3HG2 VAL 105 HG23 VAL 105 -16.230 -1.196 -2.566 809 HA PRO 59 HA PRO 106 14.658 16.239 -13.423 810 1HB PRO 59 HB2 PRO 106 17.085 16.232 -11.660 811 2HB PRO 59 HB1 PRO 106 16.877 15.572 -13.296 812 1HG PRO 59 HG2 PRO 106 18.210 17.836 -12.899 813 2HG PRO 59 HG1 PRO 106 17.146 17.637 -14.306 814 1HD PRO 59 HD2 PRO 106 16.670 19.206 -11.793 815 2HD PRO 59 HD1 PRO 106 16.155 19.560 -13.457 816 H ALA 60 HN ALA 107 15.016 17.467 -10.128 817 HA ALA 60 HA ALA 107 14.111 14.860 -9.003 818 1HB ALA 60 HB1 ALA 107 16.018 16.161 -7.966 819 2HB ALA 60 HB3 ALA 107 14.847 17.403 -7.523 820 3HB ALA 60 HB2 ALA 107 14.705 15.779 -6.851 821 H THR 61 HN THR 108 11.991 14.548 -8.581 822 HA THR 61 HA THR 108 10.176 16.937 -8.428 823 HB THR 61 HB THR 108 9.452 14.079 -9.145 824 HG1 THR 61 HG1 THR 108 10.271 16.290 -10.675 825 1HG2 THR 61 HG21 THR 108 7.608 15.483 -8.286 826 2HG2 THR 61 HG23 THR 108 7.990 16.711 -9.488 827 3HG2 THR 61 HG22 THR 108 7.397 15.132 -10.001 828 H LEU 62 HN LEU 109 9.109 17.255 -6.533 829 HA LEU 62 HA LEU 109 9.668 15.633 -4.225 830 1HB LEU 62 HB2 LEU 109 7.631 17.823 -4.722 831 2HB LEU 62 HB1 LEU 109 7.858 17.062 -3.148 832 HG LEU 62 HG LEU 109 10.065 18.447 -4.715 833 1HD1 LEU 62 HD13 LEU 109 8.260 19.414 -2.487 834 2HD1 LEU 62 HD12 LEU 109 9.809 20.176 -2.847 835 3HD1 LEU 62 HD11 LEU 109 8.534 20.153 -4.065 836 1HD2 LEU 62 HD22 LEU 109 9.928 17.006 -2.077 837 2HD2 LEU 62 HD21 LEU 109 11.228 17.044 -3.267 838 3HD2 LEU 62 HD23 LEU 109 10.977 18.416 -2.193 839 H LYS 63 HN LYS 110 7.081 15.617 -6.589 840 HA LYS 63 HA LYS 110 5.115 14.156 -5.146 841 1HB LYS 63 HB2 LYS 110 5.791 14.024 -8.105 842 2HB LYS 63 HB1 LYS 110 4.297 13.436 -7.383 843 1HG LYS 63 HG2 LYS 110 5.257 16.312 -7.273 844 2HG LYS 63 HG1 LYS 110 4.037 15.700 -8.386 845 1HD LYS 63 HD2 LYS 110 2.805 14.890 -6.232 846 2HD LYS 63 HD1 LYS 110 3.864 16.021 -5.390 847 1HE LYS 63 HE2 LYS 110 3.091 17.848 -6.856 848 2HE LYS 63 HE1 LYS 110 2.009 16.726 -7.679 849 1HZ LYS 63 HZ1 LYS 110 1.828 16.865 -4.772 850 2HZ LYS 63 HZ3 LYS 110 1.234 18.194 -5.640 851 3HZ LYS 63 HZ2 LYS 110 0.600 16.644 -5.926 852 H ILE 64 HN ILE 111 8.115 13.131 -6.594 853 HA ILE 64 HA ILE 111 7.590 10.310 -5.678 854 HB ILE 64 HB ILE 111 9.106 11.222 -8.147 855 1HG1 ILE 64 HG12 ILE 111 6.672 11.208 -8.456 856 2HG1 ILE 64 HG11 ILE 111 7.418 9.900 -9.365 857 1HG2 ILE 64 HG21 ILE 111 8.820 8.512 -6.839 858 2HG2 ILE 64 HG23 ILE 111 9.287 8.709 -8.528 859 3HG2 ILE 64 HG22 ILE 111 10.309 9.363 -7.252 860 1HD1 ILE 64 HD11 ILE 111 6.912 8.527 -7.122 861 2HD1 ILE 64 HD13 ILE 111 5.681 9.770 -6.936 862 3HD1 ILE 64 HD12 ILE 111 5.693 8.738 -8.366 863 H CYS 65 HN CYS 112 9.328 9.373 -4.529 864 HA CYS 65 HA CYS 112 11.659 11.160 -3.980 865 1HB CYS 65 HB2 CYS 112 10.975 8.563 -2.571 866 2HB CYS 65 HB1 CYS 112 12.111 9.793 -2.046 867 H SER 66 HN SER 113 13.589 10.649 -4.985 868 HA SER 66 HA SER 113 13.674 8.359 -6.787 869 1HB SER 66 HB2 SER 113 15.822 10.344 -5.987 870 2HB SER 66 HB1 SER 113 15.971 9.164 -7.287 871 HG SER 66 HG SER 113 15.158 11.455 -7.702 872 H TRP 67 HN TRP 114 14.777 6.421 -6.522 873 HA TRP 67 HA TRP 114 15.520 5.636 -3.818 874 1HB TRP 67 HB2 TRP 114 15.738 4.232 -6.499 875 2HB TRP 67 HB1 TRP 114 16.238 3.488 -4.979 876 HD1 TRP 67 HD1 TRP 114 13.117 5.472 -6.098 877 HE1 TRP 67 HE1 TRP 114 11.032 4.231 -5.242 878 HE3 TRP 67 HE3 TRP 114 15.317 1.496 -3.801 879 HZ2 TRP 67 HZ2 TRP 114 10.403 1.892 -3.747 880 HZ3 TRP 67 HZ3 TRP 114 13.963 -0.216 -2.666 881 HH2 TRP 67 HH2 TRP 114 11.500 -0.033 -2.652 882 H ASN 68 HN ASN 115 17.128 7.251 -6.322 883 HA ASN 68 HA ASN 115 19.766 6.287 -6.263 884 1HB ASN 68 HB2 ASN 115 18.751 9.148 -6.384 885 2HB ASN 68 HB1 ASN 115 20.439 8.700 -6.650 886 1HD2 ASN 68 HD22 ASN 115 18.418 6.603 -9.394 887 2HD2 ASN 68 HD21 ASN 115 18.477 6.179 -7.751 888 H VAL 69 HN VAL 116 17.927 7.542 -3.693 889 HA VAL 69 HA VAL 116 19.905 8.860 -2.149 890 HB VAL 69 HB VAL 116 18.447 8.125 -0.183 891 1HG1 VAL 69 HG11 VAL 116 17.172 9.413 -2.619 892 2HG1 VAL 69 HG13 VAL 116 16.529 9.512 -0.978 893 3HG1 VAL 69 HG12 VAL 116 18.089 10.240 -1.360 894 1HG2 VAL 69 HG23 VAL 116 17.708 6.004 -1.505 895 2HG2 VAL 69 HG22 VAL 116 16.470 6.873 -0.605 896 3HG2 VAL 69 HG21 VAL 116 16.601 7.086 -2.347 897 H ASP 70 HN ASP 117 21.545 8.133 -0.853 898 HA ASP 70 HA ASP 117 22.642 5.536 -1.234 899 1HB ASP 70 HB2 ASP 117 23.084 7.605 0.935 900 2HB ASP 70 HB1 ASP 117 24.009 6.106 0.844 901 H GLY 71 HN GLY 118 20.572 6.846 1.338 902 1HA GLY 71 HA2 GLY 118 19.514 4.219 1.942 903 2HA GLY 71 HA1 GLY 118 20.631 4.766 3.194 No H/Q in entry = 903 Start of MODEL 21 1 1H MET 1 HT3 MET 1 -9.120 -1.083 9.119 2 2H MET 1 HT2 MET 1 -9.213 -2.775 9.234 3 3H MET 1 HT1 MET 1 -9.997 -1.798 10.382 4 HA MET 1 HA MET 1 -7.932 -1.036 11.273 5 1HB MET 1 HB2 MET 1 -7.933 -4.037 10.802 6 2HB MET 1 HB1 MET 1 -7.009 -3.203 12.053 7 1HG MET 1 HG2 MET 1 -10.024 -3.070 11.786 8 2HG MET 1 HG1 MET 1 -9.176 -4.143 12.898 9 1HE MET 1 HE2 MET 1 -7.422 -3.477 14.337 10 2HE MET 1 HE1 MET 1 -7.364 -2.013 15.313 11 3HE MET 1 HE3 MET 1 -8.671 -3.183 15.543 12 H VAL 2 HN VAL 2 -5.718 -0.656 10.968 13 HA VAL 2 HA VAL 2 -4.673 -1.294 8.237 14 HB VAL 2 HB VAL 2 -3.771 0.704 10.338 15 1HG1 VAL 2 HG13 VAL 2 -2.631 -0.059 7.641 16 2HG1 VAL 2 HG12 VAL 2 -2.321 1.512 8.376 17 3HG1 VAL 2 HG11 VAL 2 -1.789 0.040 9.188 18 1HG2 VAL 2 HG21 VAL 2 -5.199 0.904 7.682 19 2HG2 VAL 2 HG23 VAL 2 -5.779 1.440 9.257 20 3HG2 VAL 2 HG22 VAL 2 -4.452 2.293 8.467 21 H LYS 3 HN LYS 3 -2.621 -2.287 7.978 22 HA LYS 3 HA LYS 3 -1.391 -3.471 10.445 23 1HB LYS 3 HB2 LYS 3 -2.797 -5.127 9.164 24 2HB LYS 3 HB1 LYS 3 -1.774 -4.847 7.761 25 1HG LYS 3 HG2 LYS 3 -0.767 -6.744 8.687 26 2HG LYS 3 HG1 LYS 3 0.192 -5.462 9.417 27 1HD LYS 3 HD2 LYS 3 -1.186 -5.553 11.447 28 2HD LYS 3 HD1 LYS 3 -2.206 -6.786 10.710 29 1HE LYS 3 HE2 LYS 3 -0.333 -8.337 10.599 30 2HE LYS 3 HE1 LYS 3 0.768 -7.098 11.203 31 1HZ LYS 3 HZ2 LYS 3 -1.547 -7.516 12.861 32 2HZ LYS 3 HZ1 LYS 3 -0.548 -8.885 12.738 33 3HZ LYS 3 HZ3 LYS 3 0.092 -7.414 13.293 34 H GLN 4 HN GLN 4 0.786 -3.091 10.531 35 HA GLN 4 HA GLN 4 2.117 -1.929 8.129 36 1HB GLN 4 HB2 GLN 4 2.434 -0.760 10.313 37 2HB GLN 4 HB1 GLN 4 3.146 -2.232 10.979 38 1HG GLN 4 HG2 GLN 4 4.966 -2.145 9.356 39 2HG GLN 4 HG1 GLN 4 4.228 -0.756 8.554 40 1HE2 GLN 4 HE22 GLN 4 6.450 1.122 10.634 41 2HE2 GLN 4 HE21 GLN 4 6.212 0.521 9.064 42 H ILE 5 HN ILE 5 3.370 -3.248 6.905 43 HA ILE 5 HA ILE 5 4.000 -5.972 7.949 44 HB ILE 5 HB ILE 5 4.262 -4.852 5.153 45 1HG1 ILE 5 HG12 ILE 5 1.914 -4.787 5.739 46 2HG1 ILE 5 HG11 ILE 5 2.182 -6.188 4.708 47 1HG2 ILE 5 HG22 ILE 5 4.449 -7.613 6.354 48 2HG2 ILE 5 HG21 ILE 5 4.177 -7.338 4.638 49 3HG2 ILE 5 HG23 ILE 5 5.654 -6.751 5.395 50 1HD1 ILE 5 HD12 ILE 5 2.494 -7.478 6.969 51 2HD1 ILE 5 HD11 ILE 5 1.632 -6.103 7.659 52 3HD1 ILE 5 HD13 ILE 5 0.869 -7.085 6.414 53 H GLU 6 HN GLU 6 6.017 -6.122 8.850 54 HA GLU 6 HA GLU 6 8.143 -4.265 7.896 55 1HB GLU 6 HB2 GLU 6 8.089 -6.140 10.272 56 2HB GLU 6 HB1 GLU 6 9.369 -4.984 9.895 57 1HG GLU 6 HG2 GLU 6 6.477 -4.238 10.426 58 2HG GLU 6 HG1 GLU 6 7.782 -4.118 11.603 59 H SER 7 HN SER 7 7.046 -7.322 7.146 60 HA SER 7 HA SER 7 9.651 -7.997 5.919 61 1HB SER 7 HB2 SER 7 9.687 -10.269 6.880 62 2HB SER 7 HB1 SER 7 9.840 -9.035 8.131 63 HG SER 7 HG SER 7 7.339 -10.102 7.351 64 H LYS 8 HN LYS 8 9.500 -9.708 4.348 65 HA LYS 8 HA LYS 8 7.044 -9.695 2.837 66 1HB LYS 8 HB2 LYS 8 9.396 -10.105 1.910 67 2HB LYS 8 HB1 LYS 8 9.271 -11.724 2.602 68 1HG LYS 8 HG2 LYS 8 7.236 -12.151 1.293 69 2HG LYS 8 HG1 LYS 8 7.331 -10.528 0.610 70 1HD LYS 8 HD2 LYS 8 8.251 -12.222 -0.945 71 2HD LYS 8 HD1 LYS 8 9.485 -11.071 -0.436 72 1HE LYS 8 HE2 LYS 8 10.586 -12.636 0.892 73 2HE LYS 8 HE1 LYS 8 9.134 -13.610 1.136 74 1HZ LYS 8 HZ3 LYS 8 10.119 -13.356 -1.596 75 2HZ LYS 8 HZ2 LYS 8 11.040 -14.308 -0.533 76 3HZ LYS 8 HZ1 LYS 8 9.407 -14.682 -0.815 77 H THR 9 HN THR 9 8.494 -11.767 5.239 78 HA THR 9 HA THR 9 6.933 -14.098 4.919 79 HB THR 9 HB THR 9 7.740 -12.912 7.586 80 HG1 THR 9 HG1 THR 9 9.669 -13.048 6.775 81 1HG2 THR 9 HG23 THR 9 7.273 -15.731 6.587 82 2HG2 THR 9 HG22 THR 9 7.959 -15.345 8.165 83 3HG2 THR 9 HG21 THR 9 6.310 -14.855 7.776 84 H ALA 10 HN ALA 10 6.291 -11.201 6.869 85 HA ALA 10 HA ALA 10 3.650 -12.078 7.671 86 1HB ALA 10 HB2 ALA 10 5.076 -9.409 7.721 87 2HB ALA 10 HB1 ALA 10 3.396 -9.567 8.229 88 3HB ALA 10 HB3 ALA 10 4.665 -10.444 9.085 89 H PHE 11 HN PHE 11 4.972 -10.228 4.982 90 HA PHE 11 HA PHE 11 2.603 -9.029 3.993 91 1HB PHE 11 HB2 PHE 11 4.969 -8.744 3.083 92 2HB PHE 11 HB1 PHE 11 4.781 -10.293 2.289 93 HD1 PHE 11 HD1 PHE 11 2.945 -7.029 2.664 94 HD2 PHE 11 HD2 PHE 11 3.965 -10.322 0.098 95 HE1 PHE 11 HE1 PHE 11 1.762 -5.934 0.781 96 HE2 PHE 11 HE2 PHE 11 2.781 -9.224 -1.781 97 HZ PHE 11 HZ PHE 11 1.676 -7.032 -1.440 98 H GLN 12 HN GLN 12 3.959 -12.255 3.458 99 HA GLN 12 HA GLN 12 1.927 -13.152 1.630 100 1HB GLN 12 HB2 GLN 12 3.705 -14.681 3.570 101 2HB GLN 12 HB1 GLN 12 2.751 -15.427 2.288 102 1HG GLN 12 HG2 GLN 12 4.882 -13.317 1.842 103 2HG GLN 12 HG1 GLN 12 5.129 -15.050 1.624 104 1HE2 GLN 12 HE22 GLN 12 2.933 -15.180 -1.285 105 2HE2 GLN 12 HE21 GLN 12 3.300 -16.077 0.108 106 H GLU 13 HN GLU 13 2.310 -13.365 5.142 107 HA GLU 13 HA GLU 13 -0.044 -14.913 5.661 108 1HB GLU 13 HB2 GLU 13 1.531 -12.969 7.374 109 2HB GLU 13 HB1 GLU 13 0.244 -13.980 8.001 110 1HG GLU 13 HG2 GLU 13 2.720 -15.030 6.599 111 2HG GLU 13 HG1 GLU 13 2.504 -14.981 8.349 112 H ALA 14 HN ALA 14 0.476 -11.407 5.463 113 HA ALA 14 HA ALA 14 -2.134 -10.677 6.408 114 1HB ALA 14 HB1 ALA 14 -0.077 -9.181 6.125 115 2HB ALA 14 HB3 ALA 14 -0.492 -9.108 4.414 116 3HB ALA 14 HB2 ALA 14 -1.619 -8.489 5.624 117 H LEU 15 HN LEU 15 -0.830 -11.333 3.176 118 HA LEU 15 HA LEU 15 -3.137 -10.620 1.684 119 1HB LEU 15 HB2 LEU 15 -0.934 -12.632 1.192 120 2HB LEU 15 HB1 LEU 15 -2.170 -12.263 -0.006 121 HG LEU 15 HG LEU 15 -0.436 -10.144 1.286 122 1HD1 LEU 15 HD12 LEU 15 0.050 -11.850 -1.148 123 2HD1 LEU 15 HD11 LEU 15 0.695 -10.213 -1.069 124 3HD1 LEU 15 HD13 LEU 15 1.171 -11.406 0.140 125 1HD2 LEU 15 HD23 LEU 15 -2.439 -10.189 -0.969 126 2HD2 LEU 15 HD22 LEU 15 -2.247 -9.012 0.329 127 3HD2 LEU 15 HD21 LEU 15 -1.114 -9.025 -1.016 128 H ASP 16 HN ASP 16 -2.203 -13.649 3.260 129 HA ASP 16 HA ASP 16 -4.461 -15.152 2.302 130 1HB ASP 16 HB2 ASP 16 -2.297 -16.096 3.242 131 2HB ASP 16 HB1 ASP 16 -2.909 -15.671 4.842 132 H ALA 17 HN ALA 17 -3.881 -13.161 5.156 133 HA ALA 17 HA ALA 17 -6.251 -13.954 6.578 134 1HB ALA 17 HB3 ALA 17 -4.552 -11.452 6.743 135 2HB ALA 17 HB2 ALA 17 -5.857 -11.831 7.868 136 3HB ALA 17 HB1 ALA 17 -4.442 -12.881 7.772 137 H ALA 18 HN ALA 18 -5.588 -11.388 4.241 138 HA ALA 18 HA ALA 18 -8.035 -9.964 4.539 139 1HB ALA 18 HB2 ALA 18 -6.249 -10.380 2.131 140 2HB ALA 18 HB1 ALA 18 -7.613 -9.263 2.154 141 3HB ALA 18 HB3 ALA 18 -6.244 -9.007 3.237 142 H GLY 19 HN GLY 19 -7.231 -12.919 2.799 143 1HA GLY 19 HA2 GLY 19 -8.652 -14.531 1.854 144 2HA GLY 19 HA1 GLY 19 -9.987 -13.737 2.692 145 H ASP 20 HN ASP 20 -11.506 -13.186 1.213 146 HA ASP 20 HA ASP 20 -10.689 -12.488 -1.536 147 1HB ASP 20 HB2 ASP 20 -13.429 -12.806 -0.285 148 2HB ASP 20 HB1 ASP 20 -13.104 -12.570 -2.006 149 H LYS 21 HN LYS 21 -10.838 -10.735 1.229 150 HA LYS 21 HA LYS 21 -12.378 -8.430 0.325 151 1HB LYS 21 HB2 LYS 21 -10.291 -8.751 2.509 152 2HB LYS 21 HB1 LYS 21 -11.254 -7.293 2.262 153 1HG LYS 21 HG2 LYS 21 -13.307 -8.884 2.409 154 2HG LYS 21 HG1 LYS 21 -12.173 -10.032 3.121 155 1HD LYS 21 HD2 LYS 21 -11.529 -8.220 4.769 156 2HD LYS 21 HD1 LYS 21 -12.880 -7.274 4.141 157 1HE LYS 21 HE2 LYS 21 -13.163 -10.082 5.233 158 2HE LYS 21 HE1 LYS 21 -13.449 -8.625 6.184 159 1HZ LYS 21 HZ1 LYS 21 -14.793 -8.532 3.675 160 2HZ LYS 21 HZ3 LYS 21 -15.259 -9.896 4.569 161 3HZ LYS 21 HZ2 LYS 21 -15.423 -8.344 5.242 162 H LEU 22 HN LEU 22 -11.518 -6.432 -0.486 163 HA LEU 22 HA LEU 22 -9.308 -6.626 -2.277 164 1HB LEU 22 HB2 LEU 22 -11.345 -4.814 -1.840 165 2HB LEU 22 HB1 LEU 22 -9.969 -3.927 -1.209 166 HG LEU 22 HG LEU 22 -10.270 -5.047 -3.999 167 1HD1 LEU 22 HD11 LEU 22 -10.758 -2.406 -2.748 168 2HD1 LEU 22 HD13 LEU 22 -9.713 -2.317 -4.164 169 3HD1 LEU 22 HD12 LEU 22 -11.311 -3.041 -4.291 170 1HD2 LEU 22 HD22 LEU 22 -7.904 -3.845 -2.557 171 2HD2 LEU 22 HD21 LEU 22 -7.955 -5.278 -3.588 172 3HD2 LEU 22 HD23 LEU 22 -8.067 -3.675 -4.301 173 H VAL 23 HN VAL 23 -7.179 -5.575 -2.022 174 HA VAL 23 HA VAL 23 -6.381 -4.868 0.741 175 HB VAL 23 HB VAL 23 -4.913 -6.937 -0.928 176 1HG1 VAL 23 HG12 VAL 23 -4.475 -5.908 1.892 177 2HG1 VAL 23 HG11 VAL 23 -3.559 -7.206 1.127 178 3HG1 VAL 23 HG13 VAL 23 -3.454 -5.564 0.497 179 1HG2 VAL 23 HG22 VAL 23 -6.691 -7.220 1.502 180 2HG2 VAL 23 HG21 VAL 23 -6.912 -7.973 -0.076 181 3HG2 VAL 23 HG23 VAL 23 -5.574 -8.469 0.957 182 H VAL 24 HN VAL 24 -5.304 -2.997 0.533 183 HA VAL 24 HA VAL 24 -3.904 -2.431 -2.057 184 HB VAL 24 HB VAL 24 -4.824 -0.456 0.057 185 1HG1 VAL 24 HG11 VAL 24 -2.950 0.179 -1.529 186 2HG1 VAL 24 HG13 VAL 24 -4.097 -0.028 -2.849 187 3HG1 VAL 24 HG12 VAL 24 -4.378 1.207 -1.625 188 1HG2 VAL 24 HG22 VAL 24 -6.179 -1.487 -2.444 189 2HG2 VAL 24 HG21 VAL 24 -6.823 -1.436 -0.803 190 3HG2 VAL 24 HG23 VAL 24 -6.604 0.060 -1.711 191 H VAL 25 HN VAL 25 -1.695 -1.875 -1.946 192 HA VAL 25 HA VAL 25 -0.448 -1.926 0.798 193 HB VAL 25 HB VAL 25 0.768 -2.944 -1.790 194 1HG1 VAL 25 HG13 VAL 25 2.373 -2.122 -0.097 195 2HG1 VAL 25 HG12 VAL 25 1.634 -3.181 1.102 196 3HG1 VAL 25 HG11 VAL 25 2.475 -3.872 -0.285 197 1HG2 VAL 25 HG21 VAL 25 -1.212 -4.287 -0.835 198 2HG2 VAL 25 HG23 VAL 25 0.302 -5.161 -1.054 199 3HG2 VAL 25 HG22 VAL 25 -0.175 -4.612 0.553 200 H ASP 26 HN ASP 26 0.484 -0.025 1.274 201 HA ASP 26 HA ASP 26 1.196 1.851 -0.943 202 1HB ASP 26 HB2 ASP 26 -0.238 2.738 0.835 203 2HB ASP 26 HB1 ASP 26 0.963 2.296 2.048 204 H PHE 27 HN PHE 27 3.297 1.564 -1.624 205 HA PHE 27 HA PHE 27 5.410 0.889 0.373 206 1HB PHE 27 HB2 PHE 27 5.463 1.270 -2.647 207 2HB PHE 27 HB1 PHE 27 6.911 1.000 -1.682 208 HD1 PHE 27 HD1 PHE 27 7.294 -1.171 -0.565 209 HD2 PHE 27 HD2 PHE 27 3.883 -0.503 -3.086 210 HE1 PHE 27 HE1 PHE 27 6.915 -3.623 -0.705 211 HE2 PHE 27 HE2 PHE 27 3.500 -2.950 -3.219 212 HZ PHE 27 HZ PHE 27 5.018 -4.510 -2.030 213 H SER 28 HN SER 28 5.850 2.711 1.554 214 HA SER 28 HA SER 28 6.568 5.211 0.047 215 1HB SER 28 HB2 SER 28 5.091 4.997 2.691 216 2HB SER 28 HB1 SER 28 5.682 6.493 1.980 217 HG SER 28 HG SER 28 3.399 5.791 1.565 218 H ALA 29 HN ALA 29 8.437 6.243 0.839 219 HA ALA 29 HA ALA 29 10.101 4.568 2.597 220 1HB ALA 29 HB3 ALA 29 10.512 6.999 0.891 221 2HB ALA 29 HB2 ALA 29 11.618 6.771 2.246 222 3HB ALA 29 HB1 ALA 29 11.488 5.535 0.994 223 H THR 30 HN THR 30 10.031 4.791 4.779 224 HA THR 30 HA THR 30 8.421 6.798 6.043 225 HB THR 30 HB THR 30 8.927 4.648 7.140 226 HG1 THR 30 HG1 THR 30 9.477 5.543 9.169 227 1HG2 THR 30 HG21 THR 30 11.273 4.488 6.261 228 2HG2 THR 30 HG23 THR 30 11.748 5.709 7.442 229 3HG2 THR 30 HG22 THR 30 11.141 4.143 7.985 230 H TRP 31 HN TRP 31 11.834 6.576 5.222 231 HA TRP 31 HA TRP 31 12.627 8.921 6.748 232 1HB TRP 31 HB2 TRP 31 14.694 8.832 5.453 233 2HB TRP 31 HB1 TRP 31 14.254 7.215 5.998 234 HD1 TRP 31 HD1 TRP 31 13.813 5.436 4.232 235 HE1 TRP 31 HE1 TRP 31 13.927 5.349 1.660 236 HE3 TRP 31 HE3 TRP 31 14.137 10.418 3.220 237 HZ2 TRP 31 HZ2 TRP 31 14.095 7.171 -0.539 238 HZ3 TRP 31 HZ3 TRP 31 14.250 11.218 0.880 239 HH2 TRP 31 HH2 TRP 31 14.231 9.604 -0.999 240 H CYS 32 HN CYS 32 11.243 8.433 3.551 241 HA CYS 32 HA CYS 32 11.936 11.152 2.675 242 1HB CYS 32 HB2 CYS 32 11.598 9.045 1.174 243 2HB CYS 32 HB1 CYS 32 9.880 9.373 1.350 244 H GLY 33 HN GLY 33 10.896 12.835 3.473 245 1HA GLY 33 HA2 GLY 33 8.536 12.705 5.032 246 2HA GLY 33 HA1 GLY 33 9.207 14.181 4.350 247 HA PRO 34 HA PRO 34 6.233 14.561 1.120 248 1HB PRO 34 HB2 PRO 34 7.776 13.098 -0.971 249 2HB PRO 34 HB1 PRO 34 7.138 14.751 -0.993 250 1HG PRO 34 HG2 PRO 34 9.789 14.203 -0.681 251 2HG PRO 34 HG1 PRO 34 9.020 15.636 0.020 252 1HD PRO 34 HD2 PRO 34 9.992 13.181 1.384 253 2HD PRO 34 HD1 PRO 34 9.736 14.808 2.057 254 H ALA 35 HN ALA 35 7.646 11.278 1.100 255 HA ALA 35 HA ALA 35 5.254 10.055 -0.024 256 1HB ALA 35 HB1 ALA 35 7.629 9.119 -0.122 257 2HB ALA 35 HB3 ALA 35 7.407 8.650 1.563 258 3HB ALA 35 HB2 ALA 35 6.364 7.972 0.314 259 H LYS 36 HN LYS 36 6.710 9.944 3.252 260 HA LYS 36 HA LYS 36 4.502 8.608 4.467 261 1HB LYS 36 HB2 LYS 36 6.793 8.903 5.478 262 2HB LYS 36 HB1 LYS 36 6.353 10.576 5.831 263 1HG LYS 36 HG2 LYS 36 4.358 9.740 7.088 264 2HG LYS 36 HG1 LYS 36 4.924 8.091 6.823 265 1HD LYS 36 HD2 LYS 36 7.054 8.669 7.994 266 2HD LYS 36 HD1 LYS 36 6.404 10.276 8.326 267 1HE LYS 36 HE2 LYS 36 5.976 8.966 10.291 268 2HE LYS 36 HE1 LYS 36 4.433 9.119 9.452 269 1HZ LYS 36 HZ2 LYS 36 6.255 6.810 9.079 270 2HZ LYS 36 HZ1 LYS 36 5.009 6.831 10.234 271 3HZ LYS 36 HZ3 LYS 36 4.635 6.948 8.584 272 H MET 37 HN MET 37 5.151 12.017 3.890 273 HA MET 37 HA MET 37 3.111 13.149 5.490 274 1HB MET 37 HB2 MET 37 4.924 14.393 4.234 275 2HB MET 37 HB1 MET 37 3.970 14.159 2.769 276 1HG MET 37 HG2 MET 37 2.036 15.263 3.926 277 2HG MET 37 HG1 MET 37 3.110 15.616 5.279 278 1HE MET 37 HE3 MET 37 2.626 15.840 1.489 279 2HE MET 37 HE2 MET 37 1.548 17.010 2.241 280 3HE MET 37 HE1 MET 37 2.848 17.569 1.192 281 H ILE 38 HN ILE 38 3.010 11.474 2.454 282 HA ILE 38 HA ILE 38 0.249 12.272 1.854 283 HB ILE 38 HB ILE 38 2.128 10.330 0.488 284 1HG1 ILE 38 HG12 ILE 38 1.180 13.018 -0.517 285 2HG1 ILE 38 HG11 ILE 38 2.589 12.890 0.530 286 1HG2 ILE 38 HG22 ILE 38 -0.710 11.178 -0.075 287 2HG2 ILE 38 HG21 ILE 38 0.363 10.778 -1.415 288 3HG2 ILE 38 HG23 ILE 38 0.014 9.573 -0.177 289 1HD1 ILE 38 HD13 ILE 38 2.236 11.441 -2.102 290 2HD1 ILE 38 HD12 ILE 38 3.237 12.871 -1.845 291 3HD1 ILE 38 HD11 ILE 38 3.650 11.350 -1.063 292 H LYS 39 HN LYS 39 1.632 9.803 3.825 293 HA LYS 39 HA LYS 39 -0.217 7.744 3.101 294 1HB LYS 39 HB2 LYS 39 0.531 6.449 4.865 295 2HB LYS 39 HB1 LYS 39 1.928 7.411 4.427 296 1HG LYS 39 HG2 LYS 39 1.797 8.742 6.372 297 2HG LYS 39 HG1 LYS 39 0.116 8.321 6.685 298 1HD LYS 39 HD2 LYS 39 1.018 5.886 6.929 299 2HD LYS 39 HD1 LYS 39 2.589 6.660 7.116 300 1HE LYS 39 HE2 LYS 39 1.707 7.956 9.013 301 2HE LYS 39 HE1 LYS 39 0.124 7.194 8.793 302 1HZ LYS 39 HZ2 LYS 39 2.579 5.591 9.158 303 2HZ LYS 39 HZ1 LYS 39 1.691 6.158 10.488 304 3HZ LYS 39 HZ3 LYS 39 0.962 5.115 9.369 305 HA PRO 40 HA PRO 40 -2.801 9.432 6.965 306 1HB PRO 40 HB2 PRO 40 -3.155 12.133 5.753 307 2HB PRO 40 HB1 PRO 40 -3.020 11.672 7.463 308 1HG PRO 40 HG2 PRO 40 -0.995 12.887 6.111 309 2HG PRO 40 HG1 PRO 40 -0.712 11.750 7.436 310 1HD PRO 40 HD2 PRO 40 -0.292 11.371 4.540 311 2HD PRO 40 HD1 PRO 40 0.478 10.517 5.883 312 H PHE 41 HN PHE 41 -3.118 10.529 3.542 313 HA PHE 41 HA PHE 41 -6.002 10.214 3.599 314 1HB PHE 41 HB2 PHE 41 -4.032 10.121 1.286 315 2HB PHE 41 HB1 PHE 41 -5.776 10.032 1.106 316 HD1 PHE 41 HD2 PHE 41 -3.127 12.158 2.652 317 HD2 PHE 41 HD1 PHE 41 -7.024 11.988 0.855 318 HE1 PHE 41 HE2 PHE 41 -3.259 14.637 2.711 319 HE2 PHE 41 HE1 PHE 41 -7.160 14.469 0.919 320 HZ PHE 41 HZ PHE 41 -5.275 15.792 1.841 321 H PHE 42 HN PHE 42 -3.252 8.173 2.693 322 HA PHE 42 HA PHE 42 -4.741 5.874 1.893 323 1HB PHE 42 HB2 PHE 42 -2.379 6.125 1.377 324 2HB PHE 42 HB1 PHE 42 -1.961 6.154 3.090 325 HD1 PHE 42 HD1 PHE 42 -3.247 4.038 0.329 326 HD2 PHE 42 HD2 PHE 42 -1.831 4.144 4.381 327 HE1 PHE 42 HE1 PHE 42 -3.099 1.565 0.347 328 HE2 PHE 42 HE2 PHE 42 -1.683 1.671 4.398 329 HZ PHE 42 HZ PHE 42 -2.317 0.380 2.378 330 H HIS 43 HN HIS 43 -3.207 6.616 5.050 331 HA HIS 43 HA HIS 43 -4.310 4.340 6.406 332 1HB HIS 43 HB2 HIS 43 -2.309 5.591 7.186 333 2HB HIS 43 HB1 HIS 43 -3.324 6.993 7.523 334 HD1 HIS 43 HD1 HIS 43 -2.313 3.698 8.875 335 HD2 HIS 43 HD2 HIS 43 -5.182 6.595 9.692 336 HE1 HIS 43 HE1 HIS 43 -3.276 3.126 11.149 337 H SER 44 HN SER 44 -5.392 7.723 6.137 338 HA SER 44 HA SER 44 -7.528 7.610 7.998 339 1HB SER 44 HB2 SER 44 -7.251 9.273 5.488 340 2HB SER 44 HB1 SER 44 -8.478 9.531 6.721 341 HG SER 44 HG SER 44 -7.012 10.605 7.760 342 H LEU 45 HN LEU 45 -7.482 6.791 4.538 343 HA LEU 45 HA LEU 45 -10.297 6.445 4.215 344 1HB LEU 45 HB2 LEU 45 -7.945 5.207 2.780 345 2HB LEU 45 HB1 LEU 45 -9.608 4.988 2.261 346 HG LEU 45 HG LEU 45 -8.549 7.786 2.708 347 1HD1 LEU 45 HD12 LEU 45 -6.939 6.622 1.195 348 2HD1 LEU 45 HD11 LEU 45 -8.279 6.201 0.132 349 3HD1 LEU 45 HD13 LEU 45 -7.842 7.891 0.371 350 1HD2 LEU 45 HD22 LEU 45 -10.664 6.544 0.920 351 2HD2 LEU 45 HD21 LEU 45 -10.917 7.609 2.302 352 3HD2 LEU 45 HD23 LEU 45 -10.175 8.235 0.835 353 H SER 46 HN SER 46 -7.948 4.416 5.784 354 HA SER 46 HA SER 46 -9.018 1.859 5.422 355 1HB SER 46 HB2 SER 46 -7.954 3.023 8.011 356 2HB SER 46 HB1 SER 46 -8.125 1.307 7.655 357 HG SER 46 HG SER 46 -6.052 2.736 7.156 358 H GLU 47 HN GLU 47 -10.134 4.418 7.588 359 HA GLU 47 HA GLU 47 -12.295 2.739 8.643 360 1HB GLU 47 HB2 GLU 47 -11.660 5.698 8.891 361 2HB GLU 47 HB1 GLU 47 -13.040 4.929 9.673 362 1HG GLU 47 HG2 GLU 47 -10.157 4.081 10.072 363 2HG GLU 47 HG1 GLU 47 -11.049 5.132 11.173 364 H LYS 48 HN LYS 48 -11.830 4.764 5.847 365 HA LYS 48 HA LYS 48 -14.668 5.421 5.557 366 1HB LYS 48 HB2 LYS 48 -12.872 6.812 4.507 367 2HB LYS 48 HB1 LYS 48 -12.492 5.461 3.437 368 1HG LYS 48 HG2 LYS 48 -14.878 5.495 2.637 369 2HG LYS 48 HG1 LYS 48 -15.137 6.945 3.602 370 1HD LYS 48 HD2 LYS 48 -12.922 6.798 1.559 371 2HD LYS 48 HD1 LYS 48 -14.556 7.251 1.100 372 1HE LYS 48 HE2 LYS 48 -14.495 9.060 2.834 373 2HE LYS 48 HE1 LYS 48 -12.806 8.665 3.137 374 1HZ LYS 48 HZ3 LYS 48 -13.242 8.966 0.367 375 2HZ LYS 48 HZ2 LYS 48 -13.819 10.340 1.180 376 3HZ LYS 48 HZ1 LYS 48 -12.206 9.845 1.382 377 H TYR 49 HN TYR 49 -12.404 3.015 4.380 378 HA TYR 49 HA TYR 49 -14.715 1.368 3.374 379 1HB TYR 49 HB2 TYR 49 -11.844 1.431 2.349 380 2HB TYR 49 HB1 TYR 49 -13.096 0.322 1.795 381 HD1 TYR 49 HD2 TYR 49 -15.241 1.321 0.794 382 HD2 TYR 49 HD1 TYR 49 -11.641 3.586 1.398 383 HE1 TYR 49 HE2 TYR 49 -16.045 3.028 -0.814 384 HE2 TYR 49 HE1 TYR 49 -12.446 5.293 -0.208 385 HH TYR 49 HH TYR 49 -15.707 5.240 -1.463 386 H SER 50 HN SER 50 -14.570 0.936 5.808 387 HA SER 50 HA SER 50 -12.369 -0.478 6.941 388 1HB SER 50 HB2 SER 50 -13.906 -1.055 8.709 389 2HB SER 50 HB1 SER 50 -14.286 0.580 8.198 390 HG SER 50 HG SER 50 -15.907 -1.479 8.275 391 H ASN 51 HN ASN 51 -14.507 -1.335 4.501 392 HA ASN 51 HA ASN 51 -14.461 -4.233 5.086 393 1HB ASN 51 HB2 ASN 51 -16.481 -3.063 4.093 394 2HB ASN 51 HB1 ASN 51 -15.533 -2.845 2.622 395 1HD2 ASN 51 HD22 ASN 51 -16.099 -6.137 1.526 396 2HD2 ASN 51 HD21 ASN 51 -15.599 -4.559 1.150 397 H VAL 52 HN VAL 52 -12.217 -2.208 4.057 398 HA VAL 52 HA VAL 52 -11.041 -4.145 2.109 399 HB VAL 52 HB VAL 52 -10.994 -1.116 2.079 400 1HG1 VAL 52 HG11 VAL 52 -9.166 -3.130 0.793 401 2HG1 VAL 52 HG13 VAL 52 -9.553 -1.646 -0.080 402 3HG1 VAL 52 HG12 VAL 52 -8.779 -1.567 1.500 403 1HG2 VAL 52 HG21 VAL 52 -12.938 -2.196 1.015 404 2HG2 VAL 52 HG23 VAL 52 -11.902 -1.441 -0.196 405 3HG2 VAL 52 HG22 VAL 52 -11.856 -3.189 0.037 406 H ILE 53 HN ILE 53 -8.774 -4.517 2.419 407 HA ILE 53 HA ILE 53 -7.812 -3.653 5.122 408 HB ILE 53 HB ILE 53 -6.590 -5.717 3.269 409 1HG1 ILE 53 HG12 ILE 53 -8.875 -6.411 3.651 410 2HG1 ILE 53 HG11 ILE 53 -7.848 -7.373 4.711 411 1HG2 ILE 53 HG21 ILE 53 -5.442 -4.653 5.437 412 2HG2 ILE 53 HG23 ILE 53 -6.472 -5.809 6.274 413 3HG2 ILE 53 HG22 ILE 53 -5.297 -6.372 5.089 414 1HD1 ILE 53 HD12 ILE 53 -8.315 -5.526 6.483 415 2HD1 ILE 53 HD11 ILE 53 -9.653 -5.068 5.433 416 3HD1 ILE 53 HD13 ILE 53 -9.599 -6.685 6.134 417 H PHE 54 HN PHE 54 -6.405 -1.966 5.216 418 HA PHE 54 HA PHE 54 -4.815 -1.250 2.778 419 1HB PHE 54 HB2 PHE 54 -5.499 0.319 5.287 420 2HB PHE 54 HB1 PHE 54 -4.412 0.907 4.034 421 HD1 PHE 54 HD1 PHE 54 -7.885 -0.312 4.624 422 HD2 PHE 54 HD2 PHE 54 -5.275 1.957 2.079 423 HE1 PHE 54 HE1 PHE 54 -9.841 0.502 3.334 424 HE2 PHE 54 HE2 PHE 54 -7.234 2.763 0.784 425 HZ PHE 54 HZ PHE 54 -9.515 2.031 1.414 426 H LEU 55 HN LEU 55 -2.649 -1.792 2.788 427 HA LEU 55 HA LEU 55 -1.306 -2.268 5.436 428 1HB LEU 55 HB2 LEU 55 -0.697 -3.461 2.718 429 2HB LEU 55 HB1 LEU 55 0.419 -3.564 4.077 430 HG LEU 55 HG LEU 55 -1.168 -4.850 5.362 431 1HD1 LEU 55 HD13 LEU 55 -3.100 -4.058 3.205 432 2HD1 LEU 55 HD12 LEU 55 -3.342 -5.572 4.077 433 3HD1 LEU 55 HD11 LEU 55 -3.296 -4.050 4.957 434 1HD2 LEU 55 HD21 LEU 55 0.203 -5.950 3.536 435 2HD2 LEU 55 HD23 LEU 55 -1.218 -6.849 4.053 436 3HD2 LEU 55 HD22 LEU 55 -1.251 -5.943 2.543 437 H GLU 56 HN GLU 56 0.605 -1.269 5.868 438 HA GLU 56 HA GLU 56 1.543 0.793 3.900 439 1HB GLU 56 HB2 GLU 56 0.696 1.598 6.167 440 2HB GLU 56 HB1 GLU 56 2.062 0.744 6.888 441 1HG GLU 56 HG2 GLU 56 3.564 2.043 5.300 442 2HG GLU 56 HG1 GLU 56 2.157 3.033 4.908 443 H VAL 57 HN VAL 57 3.636 0.544 3.158 444 HA VAL 57 HA VAL 57 5.356 -1.501 4.545 445 HB VAL 57 HB VAL 57 5.061 -1.081 1.566 446 1HG1 VAL 57 HG13 VAL 57 6.620 -3.037 3.272 447 2HG1 VAL 57 HG12 VAL 57 6.382 -3.234 1.537 448 3HG1 VAL 57 HG11 VAL 57 7.286 -1.849 2.152 449 1HG2 VAL 57 HG23 VAL 57 3.064 -2.103 2.635 450 2HG2 VAL 57 HG22 VAL 57 3.923 -3.256 1.613 451 3HG2 VAL 57 HG21 VAL 57 4.101 -3.329 3.365 452 H ASP 58 HN ASP 58 7.459 -1.004 4.788 453 HA ASP 58 HA ASP 58 8.440 1.692 3.927 454 1HB ASP 58 HB2 ASP 58 8.453 0.938 6.365 455 2HB ASP 58 HB1 ASP 58 9.660 -0.264 5.888 456 H VAL 59 HN VAL 59 9.770 1.652 2.137 457 HA VAL 59 HA VAL 59 10.847 -0.811 1.071 458 HB VAL 59 HB VAL 59 12.127 0.678 -0.446 459 1HG1 VAL 59 HG13 VAL 59 9.237 1.439 0.043 460 2HG1 VAL 59 HG12 VAL 59 10.139 1.873 -1.406 461 3HG1 VAL 59 HG11 VAL 59 9.828 0.180 -1.035 462 1HG2 VAL 59 HG21 VAL 59 11.088 2.800 1.439 463 2HG2 VAL 59 HG23 VAL 59 12.762 2.473 0.997 464 3HG2 VAL 59 HG22 VAL 59 11.658 3.176 -0.186 465 H ASP 60 HN ASP 60 11.844 1.411 3.524 466 HA ASP 60 HA ASP 60 14.677 0.559 3.348 467 1HB ASP 60 HB2 ASP 60 13.157 2.610 4.934 468 2HB ASP 60 HB1 ASP 60 14.778 2.145 5.412 469 H ASP 61 HN ASP 61 11.950 0.192 5.666 470 HA ASP 61 HA ASP 61 13.657 -1.654 7.289 471 1HB ASP 61 HB2 ASP 61 10.863 -0.562 7.792 472 2HB ASP 61 HB1 ASP 61 11.727 -1.652 8.873 473 H ALA 62 HN ALA 62 11.348 -1.630 4.817 474 HA ALA 62 HA ALA 62 10.915 -4.577 5.105 475 1HB ALA 62 HB2 ALA 62 8.902 -2.747 5.325 476 2HB ALA 62 HB1 ALA 62 8.894 -2.998 3.580 477 3HB ALA 62 HB3 ALA 62 8.660 -4.367 4.672 478 H GLN 63 HN GLN 63 13.072 -3.328 3.837 479 HA GLN 63 HA GLN 63 12.736 -2.850 1.058 480 1HB GLN 63 HB2 GLN 63 15.139 -3.075 0.897 481 2HB GLN 63 HB1 GLN 63 14.789 -2.327 2.455 482 1HG GLN 63 HG2 GLN 63 14.887 -4.624 3.491 483 2HG GLN 63 HG1 GLN 63 15.471 -5.232 1.945 484 1HE2 GLN 63 HE22 GLN 63 18.430 -4.356 4.087 485 2HE2 GLN 63 HE21 GLN 63 17.107 -5.405 4.267 486 H ASP 64 HN ASP 64 12.665 -5.787 2.863 487 HA ASP 64 HA ASP 64 13.430 -7.626 0.785 488 1HB ASP 64 HB2 ASP 64 12.116 -9.269 2.206 489 2HB ASP 64 HB1 ASP 64 13.371 -8.384 3.074 490 H VAL 65 HN VAL 65 10.349 -6.238 1.800 491 HA VAL 65 HA VAL 65 8.721 -7.735 -0.052 492 HB VAL 65 HB VAL 65 8.070 -5.047 1.179 493 1HG1 VAL 65 HG11 VAL 65 6.448 -6.003 -0.416 494 2HG1 VAL 65 HG13 VAL 65 6.385 -7.483 0.542 495 3HG1 VAL 65 HG12 VAL 65 5.795 -5.967 1.223 496 1HG2 VAL 65 HG22 VAL 65 8.243 -7.769 2.466 497 2HG2 VAL 65 HG21 VAL 65 8.893 -6.238 3.045 498 3HG2 VAL 65 HG23 VAL 65 7.156 -6.533 3.095 499 H ALA 66 HN ALA 66 10.132 -4.471 -0.038 500 HA ALA 66 HA ALA 66 8.987 -3.687 -2.563 501 1HB ALA 66 HB2 ALA 66 10.007 -2.230 -0.643 502 2HB ALA 66 HB1 ALA 66 11.535 -2.505 -1.482 503 3HB ALA 66 HB3 ALA 66 10.196 -1.717 -2.318 504 H SER 67 HN SER 67 12.144 -5.088 -1.641 505 HA SER 67 HA SER 67 13.377 -4.840 -4.207 506 1HB SER 67 HB2 SER 67 14.884 -6.626 -3.484 507 2HB SER 67 HB1 SER 67 14.590 -5.541 -2.126 508 HG SER 67 HG SER 67 12.861 -7.700 -2.504 509 H GLU 68 HN GLU 68 11.166 -7.239 -2.873 510 HA GLU 68 HA GLU 68 11.348 -9.162 -4.975 511 1HB GLU 68 HB2 GLU 68 10.217 -9.502 -2.747 512 2HB GLU 68 HB1 GLU 68 8.901 -8.476 -3.314 513 1HG GLU 68 HG2 GLU 68 8.571 -10.031 -5.239 514 2HG GLU 68 HG1 GLU 68 9.811 -11.086 -4.557 515 H ALA 69 HN ALA 69 9.342 -6.257 -4.571 516 HA ALA 69 HA ALA 69 7.975 -6.726 -7.125 517 1HB ALA 69 HB1 ALA 69 6.889 -5.679 -5.093 518 2HB ALA 69 HB3 ALA 69 7.877 -4.250 -5.399 519 3HB ALA 69 HB2 ALA 69 6.694 -4.778 -6.597 520 H GLU 70 HN GLU 70 10.989 -5.525 -6.378 521 HA GLU 70 HA GLU 70 12.500 -4.163 -7.550 522 1HB GLU 70 HB2 GLU 70 10.601 -4.886 -9.803 523 2HB GLU 70 HB1 GLU 70 12.110 -4.015 -10.040 524 1HG GLU 70 HG2 GLU 70 12.594 -6.308 -10.450 525 2HG GLU 70 HG1 GLU 70 13.272 -5.940 -8.866 526 H VAL 71 HN VAL 71 10.766 -2.651 -6.058 527 HA VAL 71 HA VAL 71 9.231 -0.770 -7.595 528 HB VAL 71 HB VAL 71 10.540 -0.294 -4.895 529 1HG1 VAL 71 HG11 VAL 71 8.173 0.920 -6.356 530 2HG1 VAL 71 HG13 VAL 71 8.500 1.191 -4.644 531 3HG1 VAL 71 HG12 VAL 71 9.658 1.734 -5.864 532 1HG2 VAL 71 HG23 VAL 71 7.910 -1.629 -5.654 533 2HG2 VAL 71 HG22 VAL 71 9.249 -2.354 -4.767 534 3HG2 VAL 71 HG21 VAL 71 8.289 -1.078 -4.022 535 H LYS 72 HN LYS 72 9.887 0.989 -8.726 536 HA LYS 72 HA LYS 72 12.778 1.687 -8.664 537 1HB LYS 72 HB2 LYS 72 10.647 2.301 -10.721 538 2HB LYS 72 HB1 LYS 72 12.353 2.709 -10.868 539 1HG LYS 72 HG2 LYS 72 11.353 -0.141 -10.493 540 2HG LYS 72 HG1 LYS 72 11.664 0.578 -12.072 541 1HD LYS 72 HD2 LYS 72 14.027 1.131 -11.102 542 2HD LYS 72 HD1 LYS 72 13.629 -0.074 -9.879 543 1HE LYS 72 HE2 LYS 72 13.198 -1.737 -11.649 544 2HE LYS 72 HE1 LYS 72 13.611 -0.535 -12.873 545 1HZ LYS 72 HZ2 LYS 72 15.551 -0.933 -10.746 546 2HZ LYS 72 HZ1 LYS 72 15.379 -2.215 -11.848 547 3HZ LYS 72 HZ3 LYS 72 15.795 -0.668 -12.405 548 H ALA 73 HN ALA 73 9.764 2.856 -7.576 549 HA ALA 73 HA ALA 73 10.991 5.360 -6.722 550 1HB ALA 73 HB1 ALA 73 9.400 5.234 -9.174 551 2HB ALA 73 HB3 ALA 73 8.753 6.411 -8.033 552 3HB ALA 73 HB2 ALA 73 10.423 6.544 -8.585 553 H THR 74 HN THR 74 9.647 6.539 -5.222 554 HA THR 74 HA THR 74 7.198 5.098 -4.273 555 HB THR 74 HB THR 74 7.908 5.420 -1.961 556 HG1 THR 74 HG1 THR 74 9.724 6.560 -1.460 557 1HG2 THR 74 HG23 THR 74 10.048 4.293 -3.747 558 2HG2 THR 74 HG22 THR 74 10.228 4.310 -1.998 559 3HG2 THR 74 HG21 THR 74 8.890 3.431 -2.738 560 HA PRO 75 HA PRO 75 5.749 5.664 -2.448 561 1HB PRO 75 HB2 PRO 75 3.154 6.579 -2.566 562 2HB PRO 75 HB1 PRO 75 4.325 7.076 -1.336 563 1HG PRO 75 HG2 PRO 75 3.347 8.578 -3.724 564 2HG PRO 75 HG1 PRO 75 3.878 9.190 -2.148 565 1HD PRO 75 HD2 PRO 75 5.415 9.231 -4.506 566 2HD PRO 75 HD1 PRO 75 6.069 9.405 -2.852 567 H THR 76 HN THR 76 4.847 3.789 -3.240 568 HA THR 76 HA THR 76 3.512 3.875 -5.925 569 HB THR 76 HB THR 76 5.375 1.722 -4.904 570 HG1 THR 76 HG1 THR 76 5.760 4.005 -6.267 571 1HG2 THR 76 HG22 THR 76 3.754 2.017 -7.435 572 2HG2 THR 76 HG21 THR 76 5.097 0.884 -7.283 573 3HG2 THR 76 HG23 THR 76 3.674 0.708 -6.257 574 H PHE 77 HN PHE 77 1.578 2.910 -5.935 575 HA PHE 77 HA PHE 77 0.721 1.430 -3.478 576 1HB PHE 77 HB2 PHE 77 -0.918 2.823 -5.620 577 2HB PHE 77 HB1 PHE 77 -1.552 2.085 -4.149 578 HD1 PHE 77 HD1 PHE 77 -0.997 3.083 -1.901 579 HD2 PHE 77 HD2 PHE 77 0.170 4.952 -5.589 580 HE1 PHE 77 HE1 PHE 77 -0.599 5.218 -0.697 581 HE2 PHE 77 HE2 PHE 77 0.571 7.083 -4.388 582 HZ PHE 77 HZ PHE 77 0.183 7.222 -1.940 583 H GLN 78 HN GLN 78 0.237 -0.713 -3.704 584 HA GLN 78 HA GLN 78 -0.161 -1.825 -6.469 585 1HB GLN 78 HB2 GLN 78 1.322 -3.011 -4.112 586 2HB GLN 78 HB1 GLN 78 0.822 -3.959 -5.513 587 1HG GLN 78 HG2 GLN 78 2.106 -2.391 -6.971 588 2HG GLN 78 HG1 GLN 78 2.677 -1.558 -5.524 589 1HE2 GLN 78 HE22 GLN 78 5.416 -3.833 -5.748 590 2HE2 GLN 78 HE21 GLN 78 4.923 -2.237 -6.030 591 H PHE 79 HN PHE 79 -1.859 -3.213 -6.696 592 HA PHE 79 HA PHE 79 -3.651 -3.478 -4.300 593 1HB PHE 79 HB2 PHE 79 -4.222 -3.464 -7.268 594 2HB PHE 79 HB1 PHE 79 -5.431 -3.834 -6.034 595 HD1 PHE 79 HD2 PHE 79 -3.014 -1.245 -7.183 596 HD2 PHE 79 HD1 PHE 79 -6.453 -2.095 -4.768 597 HE1 PHE 79 HE2 PHE 79 -3.327 1.175 -6.781 598 HE2 PHE 79 HE1 PHE 79 -6.769 0.323 -4.356 599 HZ PHE 79 HZ PHE 79 -5.211 1.965 -5.365 600 H PHE 80 HN PHE 80 -4.134 -5.419 -3.535 601 HA PHE 80 HA PHE 80 -3.451 -7.841 -5.159 602 1HB PHE 80 HB2 PHE 80 -2.996 -7.299 -2.220 603 2HB PHE 80 HB1 PHE 80 -2.932 -8.916 -2.919 604 HD1 PHE 80 HD2 PHE 80 -1.293 -5.595 -2.787 605 HD2 PHE 80 HD1 PHE 80 -1.152 -9.572 -4.432 606 HE1 PHE 80 HE2 PHE 80 1.050 -5.229 -3.502 607 HE2 PHE 80 HE1 PHE 80 1.193 -9.190 -5.146 608 HZ PHE 80 HZ PHE 80 2.293 -7.017 -4.682 609 H LYS 81 HN LYS 81 -4.888 -9.566 -4.994 610 HA LYS 81 HA LYS 81 -7.171 -9.364 -3.132 611 1HB LYS 81 HB2 LYS 81 -7.689 -8.113 -5.333 612 2HB LYS 81 HB1 LYS 81 -7.664 -9.704 -6.097 613 1HG LYS 81 HG2 LYS 81 -9.363 -10.475 -4.458 614 2HG LYS 81 HG1 LYS 81 -9.437 -8.848 -3.803 615 1HD LYS 81 HD2 LYS 81 -10.000 -8.050 -6.143 616 2HD LYS 81 HD1 LYS 81 -10.197 -9.747 -6.586 617 1HE LYS 81 HE2 LYS 81 -11.670 -8.423 -4.291 618 2HE LYS 81 HE1 LYS 81 -12.345 -8.620 -5.909 619 1HZ LYS 81 HZ1 LYS 81 -11.329 -10.858 -4.249 620 2HZ LYS 81 HZ3 LYS 81 -12.962 -10.408 -4.337 621 3HZ LYS 81 HZ2 LYS 81 -12.162 -10.975 -5.724 622 H LYS 82 HN LYS 82 -7.643 -11.413 -2.438 623 HA LYS 82 HA LYS 82 -7.510 -13.749 -2.232 624 1HB LYS 82 HB2 LYS 82 -7.459 -13.636 -5.281 625 2HB LYS 82 HB1 LYS 82 -7.717 -15.086 -4.317 626 1HG LYS 82 HG2 LYS 82 -9.675 -13.735 -3.239 627 2HG LYS 82 HG1 LYS 82 -9.526 -12.710 -4.658 628 1HD LYS 82 HD2 LYS 82 -9.756 -14.762 -6.093 629 2HD LYS 82 HD1 LYS 82 -10.108 -15.676 -4.626 630 1HE LYS 82 HE2 LYS 82 -12.050 -14.285 -4.164 631 2HE LYS 82 HE1 LYS 82 -11.665 -13.235 -5.528 632 1HZ LYS 82 HZ2 LYS 82 -11.828 -16.002 -6.255 633 2HZ LYS 82 HZ1 LYS 82 -13.286 -15.413 -5.606 634 3HZ LYS 82 HZ3 LYS 82 -12.589 -14.652 -6.953 635 H GLY 83 HN GLY 83 -5.031 -12.056 -2.413 636 1HA GLY 83 HA2 GLY 83 -2.746 -12.584 -2.211 637 2HA GLY 83 HA1 GLY 83 -3.144 -14.262 -2.573 638 H GLN 84 HN GLN 84 -4.292 -11.827 -4.774 639 HA GLN 84 HA GLN 84 -2.081 -12.481 -6.682 640 1HB GLN 84 HB2 GLN 84 -5.059 -12.356 -7.214 641 2HB GLN 84 HB1 GLN 84 -3.842 -12.394 -8.489 642 1HG GLN 84 HG2 GLN 84 -2.958 -14.529 -7.490 643 2HG GLN 84 HG1 GLN 84 -4.322 -14.509 -6.372 644 1HE2 GLN 84 HE22 GLN 84 -6.584 -14.680 -9.398 645 2HE2 GLN 84 HE21 GLN 84 -6.272 -13.455 -8.264 646 H LYS 85 HN LYS 85 -1.348 -10.752 -7.957 647 HA LYS 85 HA LYS 85 -2.069 -8.050 -7.037 648 1HB LYS 85 HB2 LYS 85 0.269 -8.707 -7.611 649 2HB LYS 85 HB1 LYS 85 -0.227 -8.937 -9.286 650 1HG LYS 85 HG2 LYS 85 -0.930 -6.554 -9.379 651 2HG LYS 85 HG1 LYS 85 -0.349 -6.338 -7.727 652 1HD LYS 85 HD2 LYS 85 1.918 -7.078 -8.464 653 2HD LYS 85 HD1 LYS 85 1.320 -7.165 -10.122 654 1HE LYS 85 HE2 LYS 85 0.601 -4.710 -9.798 655 2HE LYS 85 HE1 LYS 85 1.648 -4.723 -8.378 656 1HZ LYS 85 HZ1 LYS 85 2.619 -5.645 -11.011 657 2HZ LYS 85 HZ3 LYS 85 2.652 -4.003 -10.588 658 3HZ LYS 85 HZ2 LYS 85 3.523 -5.133 -9.665 659 H VAL 86 HN VAL 86 -3.542 -6.739 -8.004 660 HA VAL 86 HA VAL 86 -4.544 -7.494 -10.729 661 HB VAL 86 HB VAL 86 -6.754 -6.617 -9.992 662 1HG1 VAL 86 HG12 VAL 86 -5.985 -9.070 -9.765 663 2HG1 VAL 86 HG11 VAL 86 -5.797 -8.726 -8.044 664 3HG1 VAL 86 HG13 VAL 86 -7.380 -8.578 -8.806 665 1HG2 VAL 86 HG22 VAL 86 -5.909 -5.112 -8.214 666 2HG2 VAL 86 HG21 VAL 86 -7.115 -6.233 -7.583 667 3HG2 VAL 86 HG23 VAL 86 -5.403 -6.515 -7.272 668 H GLY 87 HN GLY 87 -2.729 -5.178 -9.221 669 1HA GLY 87 HA2 GLY 87 -2.932 -3.341 -11.365 670 2HA GLY 87 HA1 GLY 87 -4.041 -2.776 -10.123 671 H GLU 88 HN GLU 88 -1.827 -1.287 -10.980 672 HA GLU 88 HA GLU 88 -0.570 -0.754 -8.432 673 1HB GLU 88 HB2 GLU 88 0.923 -2.546 -9.028 674 2HB GLU 88 HB1 GLU 88 1.099 -1.926 -10.665 675 1HG GLU 88 HG2 GLU 88 2.294 0.022 -9.864 676 2HG GLU 88 HG1 GLU 88 1.948 -0.403 -8.186 677 H PHE 89 HN PHE 89 0.535 1.272 -8.436 678 HA PHE 89 HA PHE 89 1.006 2.729 -10.875 679 1HB PHE 89 HB2 PHE 89 -0.720 4.320 -10.916 680 2HB PHE 89 HB1 PHE 89 -1.558 2.801 -10.631 681 HD1 PHE 89 HD1 PHE 89 -0.201 5.838 -8.946 682 HD2 PHE 89 HD2 PHE 89 -2.860 2.480 -8.672 683 HE1 PHE 89 HE1 PHE 89 -1.206 6.804 -6.889 684 HE2 PHE 89 HE2 PHE 89 -3.865 3.440 -6.619 685 HZ PHE 89 HZ PHE 89 -3.045 5.607 -5.730 686 H SER 90 HN SER 90 1.895 4.860 -10.485 687 HA SER 90 HA SER 90 2.821 5.262 -7.655 688 1HB SER 90 HB2 SER 90 4.981 5.992 -8.573 689 2HB SER 90 HB1 SER 90 4.626 4.324 -9.033 690 HG SER 90 HG SER 90 3.666 6.259 -10.756 691 H GLY 91 HN GLY 91 3.552 7.456 -7.215 692 1HA GLY 91 HA2 GLY 91 3.667 9.817 -8.049 693 2HA GLY 91 HA1 GLY 91 2.130 9.532 -8.861 694 H ALA 92 HN ALA 92 2.938 11.437 -6.655 695 HA ALA 92 HA ALA 92 1.571 10.557 -4.252 696 1HB ALA 92 HB2 ALA 92 2.536 13.241 -5.263 697 2HB ALA 92 HB1 ALA 92 1.778 13.037 -3.687 698 3HB ALA 92 HB3 ALA 92 3.298 12.215 -4.051 699 H ASN 93 HN ASN 93 -0.424 9.924 -5.748 700 HA ASN 93 HA ASN 93 -2.323 12.251 -5.813 701 1HB ASN 93 HB2 ASN 93 -1.746 11.265 -8.080 702 2HB ASN 93 HB1 ASN 93 -2.514 9.772 -7.539 703 1HD2 ASN 93 HD22 ASN 93 -5.381 12.546 -7.147 704 2HD2 ASN 93 HD21 ASN 93 -4.096 12.376 -6.051 705 H LYS 94 HN LYS 94 -3.039 11.834 -3.656 706 HA LYS 94 HA LYS 94 -3.765 9.223 -2.701 707 1HB LYS 94 HB2 LYS 94 -5.048 10.512 -0.979 708 2HB LYS 94 HB1 LYS 94 -3.355 10.965 -1.107 709 1HG LYS 94 HG2 LYS 94 -5.069 12.540 -2.920 710 2HG LYS 94 HG1 LYS 94 -5.554 12.720 -1.241 711 1HD LYS 94 HD2 LYS 94 -3.146 13.236 -0.687 712 2HD LYS 94 HD1 LYS 94 -2.816 13.244 -2.423 713 1HE LYS 94 HE2 LYS 94 -4.576 14.987 -2.708 714 2HE LYS 94 HE1 LYS 94 -4.788 15.014 -0.957 715 1HZ LYS 94 HZ1 LYS 94 -2.414 15.585 -0.763 716 2HZ LYS 94 HZ3 LYS 94 -2.309 15.676 -2.454 717 3HZ LYS 94 HZ2 LYS 94 -3.303 16.763 -1.604 718 H GLU 95 HN GLU 95 -5.623 11.677 -4.479 719 HA GLU 95 HA GLU 95 -8.195 10.537 -3.967 720 1HB GLU 95 HB2 GLU 95 -7.246 12.146 -6.357 721 2HB GLU 95 HB1 GLU 95 -8.929 11.828 -5.943 722 1HG GLU 95 HG2 GLU 95 -6.972 13.200 -4.089 723 2HG GLU 95 HG1 GLU 95 -8.095 14.063 -5.137 724 H LYS 96 HN LYS 96 -5.667 9.750 -6.231 725 HA LYS 96 HA LYS 96 -7.147 8.195 -8.084 726 1HB LYS 96 HB2 LYS 96 -4.728 8.951 -8.202 727 2HB LYS 96 HB1 LYS 96 -4.341 7.628 -7.119 728 1HG LYS 96 HG2 LYS 96 -5.004 5.982 -8.681 729 2HG LYS 96 HG1 LYS 96 -5.848 7.158 -9.690 730 1HD LYS 96 HD2 LYS 96 -3.706 8.238 -10.242 731 2HD LYS 96 HD1 LYS 96 -2.853 7.069 -9.231 732 1HE LYS 96 HE2 LYS 96 -4.578 6.348 -11.623 733 2HE LYS 96 HE1 LYS 96 -2.817 6.433 -11.647 734 1HZ LYS 96 HZ1 LYS 96 -3.339 4.868 -9.500 735 2HZ LYS 96 HZ3 LYS 96 -4.539 4.387 -10.598 736 3HZ LYS 96 HZ2 LYS 96 -2.900 4.306 -11.041 737 H LEU 97 HN LEU 97 -5.793 7.425 -4.925 738 HA LEU 97 HA LEU 97 -6.113 4.610 -4.942 739 1HB LEU 97 HB2 LEU 97 -6.336 6.694 -2.766 740 2HB LEU 97 HB1 LEU 97 -6.484 4.982 -2.417 741 HG LEU 97 HG LEU 97 -4.099 6.241 -3.788 742 1HD1 LEU 97 HD13 LEU 97 -4.629 5.548 -0.891 743 2HD1 LEU 97 HD12 LEU 97 -3.009 5.825 -1.530 744 3HD1 LEU 97 HD11 LEU 97 -4.203 7.124 -1.559 745 1HD2 LEU 97 HD22 LEU 97 -4.826 3.451 -2.897 746 2HD2 LEU 97 HD21 LEU 97 -3.974 3.970 -4.347 747 3HD2 LEU 97 HD23 LEU 97 -3.149 3.951 -2.800 748 H GLU 98 HN GLU 98 -8.360 7.229 -4.240 749 HA GLU 98 HA GLU 98 -10.526 5.619 -3.286 750 1HB GLU 98 HB2 GLU 98 -10.430 8.086 -3.048 751 2HB GLU 98 HB1 GLU 98 -10.702 8.252 -4.782 752 1HG GLU 98 HG2 GLU 98 -12.865 7.043 -4.537 753 2HG GLU 98 HG1 GLU 98 -12.598 6.954 -2.796 754 H ALA 99 HN ALA 99 -9.779 6.708 -6.603 755 HA ALA 99 HA ALA 99 -12.155 5.537 -7.733 756 1HB ALA 99 HB3 ALA 99 -9.506 6.295 -8.984 757 2HB ALA 99 HB2 ALA 99 -10.903 5.742 -9.910 758 3HB ALA 99 HB1 ALA 99 -10.998 7.237 -8.978 759 H THR 100 HN THR 100 -8.819 4.289 -7.450 760 HA THR 100 HA THR 100 -9.343 1.908 -8.940 761 HB THR 100 HB THR 100 -7.316 2.187 -6.709 762 HG1 THR 100 HG1 THR 100 -7.460 3.230 -9.297 763 1HG2 THR 100 HG21 THR 100 -7.491 0.507 -9.225 764 2HG2 THR 100 HG23 THR 100 -6.080 0.582 -8.171 765 3HG2 THR 100 HG22 THR 100 -7.601 -0.069 -7.564 766 H ILE 101 HN ILE 101 -9.656 2.618 -5.478 767 HA ILE 101 HA ILE 101 -10.238 -0.047 -4.583 768 HB ILE 101 HB ILE 101 -11.133 2.675 -3.567 769 1HG1 ILE 101 HG12 ILE 101 -9.165 0.746 -2.317 770 2HG1 ILE 101 HG11 ILE 101 -8.657 1.913 -3.538 771 1HG2 ILE 101 HG21 ILE 101 -11.560 -0.095 -2.417 772 2HG2 ILE 101 HG23 ILE 101 -11.622 1.364 -1.427 773 3HG2 ILE 101 HG22 ILE 101 -12.774 1.143 -2.742 774 1HD1 ILE 101 HD13 ILE 101 -9.588 3.745 -2.142 775 2HD1 ILE 101 HD12 ILE 101 -10.025 2.562 -0.910 776 3HD1 ILE 101 HD11 ILE 101 -8.327 2.848 -1.294 777 H ASN 102 HN ASN 102 -12.363 2.604 -5.647 778 HA ASN 102 HA ASN 102 -14.828 1.192 -5.431 779 1HB ASN 102 HB2 ASN 102 -14.611 3.664 -5.809 780 2HB ASN 102 HB1 ASN 102 -14.079 3.328 -7.458 781 1HD2 ASN 102 HD22 ASN 102 -17.996 3.446 -6.696 782 2HD2 ASN 102 HD21 ASN 102 -16.809 4.048 -5.644 783 H GLU 103 HN GLU 103 -12.399 1.390 -7.953 784 HA GLU 103 HA GLU 103 -13.877 0.036 -9.991 785 1HB GLU 103 HB2 GLU 103 -11.718 1.462 -10.152 786 2HB GLU 103 HB1 GLU 103 -10.872 -0.012 -9.688 787 1HG GLU 103 HG2 GLU 103 -12.766 0.170 -12.049 788 2HG GLU 103 HG1 GLU 103 -11.011 0.290 -12.171 789 H LEU 104 HN LEU 104 -11.664 -1.138 -7.446 790 HA LEU 104 HA LEU 104 -12.121 -3.941 -8.362 791 1HB LEU 104 HB2 LEU 104 -10.196 -2.762 -6.351 792 2HB LEU 104 HB1 LEU 104 -10.311 -4.481 -6.709 793 HG LEU 104 HG LEU 104 -9.758 -2.361 -8.807 794 1HD1 LEU 104 HD12 LEU 104 -7.834 -4.068 -7.218 795 2HD1 LEU 104 HD11 LEU 104 -7.388 -3.143 -8.651 796 3HD1 LEU 104 HD13 LEU 104 -7.947 -2.315 -7.200 797 1HD2 LEU 104 HD23 LEU 104 -9.761 -5.384 -8.757 798 2HD2 LEU 104 HD22 LEU 104 -10.483 -4.302 -9.944 799 3HD2 LEU 104 HD21 LEU 104 -8.738 -4.524 -9.906 800 H VAL 105 HN VAL 105 -13.572 -1.823 -6.174 801 HA VAL 105 HA VAL 105 -13.861 -3.547 -3.897 802 HB VAL 105 HB VAL 105 -14.463 -1.056 -4.009 803 1HG1 VAL 105 HG13 VAL 105 -16.003 -1.548 -6.075 804 2HG1 VAL 105 HG12 VAL 105 -17.196 -1.991 -4.857 805 3HG1 VAL 105 HG11 VAL 105 -16.521 -0.360 -4.881 806 1HG2 VAL 105 HG23 VAL 105 -14.959 -2.498 -2.071 807 2HG2 VAL 105 HG22 VAL 105 -16.247 -1.321 -2.325 808 3HG2 VAL 105 HG21 VAL 105 -16.471 -2.995 -2.828 809 HA PRO 59 HA PRO 106 14.190 15.876 -14.061 810 1HB PRO 59 HB2 PRO 106 16.719 15.755 -12.454 811 2HB PRO 59 HB1 PRO 106 16.397 15.157 -14.095 812 1HG PRO 59 HG2 PRO 106 17.805 17.383 -13.700 813 2HG PRO 59 HG1 PRO 106 16.668 17.244 -15.052 814 1HD PRO 59 HD2 PRO 106 16.360 18.760 -12.487 815 2HD PRO 59 HD1 PRO 106 15.750 19.157 -14.109 816 H ALA 60 HN ALA 107 14.817 16.974 -10.743 817 HA ALA 60 HA ALA 107 13.864 14.378 -9.645 818 1HB ALA 60 HB1 ALA 107 14.990 16.882 -8.359 819 2HB ALA 60 HB3 ALA 107 14.382 15.511 -7.433 820 3HB ALA 60 HB2 ALA 107 15.772 15.306 -8.500 821 H THR 61 HN THR 108 11.755 14.121 -9.077 822 HA THR 61 HA THR 108 10.018 16.567 -8.915 823 HB THR 61 HB THR 108 9.178 13.693 -9.387 824 HG1 THR 61 HG1 THR 108 10.398 15.454 -11.002 825 1HG2 THR 61 HG21 THR 108 7.474 15.293 -8.501 826 2HG2 THR 61 HG23 THR 108 7.761 16.321 -9.903 827 3HG2 THR 61 HG22 THR 108 7.090 14.703 -10.116 828 H LEU 62 HN LEU 109 9.144 17.051 -6.972 829 HA LEU 62 HA LEU 109 9.770 15.579 -4.598 830 1HB LEU 62 HB2 LEU 109 7.725 17.743 -5.164 831 2HB LEU 62 HB1 LEU 109 8.034 17.114 -3.548 832 HG LEU 62 HG LEU 109 10.264 18.196 -5.286 833 1HD1 LEU 62 HD13 LEU 109 8.550 19.737 -3.314 834 2HD1 LEU 62 HD12 LEU 109 10.011 20.347 -4.089 835 3HD1 LEU 62 HD11 LEU 109 8.588 19.976 -5.061 836 1HD2 LEU 62 HD23 LEU 109 9.914 17.625 -2.329 837 2HD2 LEU 62 HD22 LEU 109 11.142 16.993 -3.425 838 3HD2 LEU 62 HD21 LEU 109 11.194 18.679 -2.924 839 H LYS 63 HN LYS 110 7.050 15.476 -6.801 840 HA LYS 63 HA LYS 110 5.144 14.136 -5.176 841 1HB LYS 63 HB2 LYS 110 5.658 13.822 -8.155 842 2HB LYS 63 HB1 LYS 110 4.195 13.312 -7.316 843 1HG LYS 63 HG2 LYS 110 5.136 16.167 -7.135 844 2HG LYS 63 HG1 LYS 110 4.200 15.626 -8.524 845 1HD LYS 63 HD2 LYS 110 2.416 14.834 -6.965 846 2HD LYS 63 HD1 LYS 110 3.337 15.505 -5.615 847 1HE LYS 63 HE2 LYS 110 1.712 17.167 -6.266 848 2HE LYS 63 HE1 LYS 110 3.292 17.732 -6.808 849 1HZ LYS 63 HZ2 LYS 110 1.786 16.076 -8.672 850 2HZ LYS 63 HZ1 LYS 110 1.186 17.641 -8.397 851 3HZ LYS 63 HZ3 LYS 110 2.769 17.430 -8.968 852 H ILE 64 HN ILE 111 8.107 13.036 -6.581 853 HA ILE 64 HA ILE 111 7.551 10.236 -5.636 854 HB ILE 64 HB ILE 111 8.989 11.127 -8.162 855 1HG1 ILE 64 HG12 ILE 111 6.558 11.049 -8.417 856 2HG1 ILE 64 HG11 ILE 111 7.297 9.719 -9.298 857 1HG2 ILE 64 HG22 ILE 111 8.798 8.407 -6.865 858 2HG2 ILE 64 HG21 ILE 111 9.265 8.646 -8.548 859 3HG2 ILE 64 HG23 ILE 111 10.263 9.305 -7.253 860 1HD1 ILE 64 HD13 ILE 111 6.867 8.410 -7.011 861 2HD1 ILE 64 HD12 ILE 111 5.632 9.648 -6.811 862 3HD1 ILE 64 HD11 ILE 111 5.595 8.584 -8.215 863 H CYS 65 HN CYS 112 9.303 9.291 -4.479 864 HA CYS 65 HA CYS 112 11.605 11.092 -3.918 865 1HB CYS 65 HB2 CYS 112 10.870 8.468 -2.577 866 2HB CYS 65 HB1 CYS 112 12.129 9.574 -2.056 867 H SER 66 HN SER 113 13.625 10.603 -4.789 868 HA SER 66 HA SER 113 13.779 8.406 -6.711 869 1HB SER 66 HB2 SER 113 15.902 10.357 -5.783 870 2HB SER 66 HB1 SER 113 16.061 9.244 -7.138 871 HG SER 66 HG SER 113 15.288 10.970 -8.128 872 H TRP 67 HN TRP 114 14.903 6.494 -6.518 873 HA TRP 67 HA TRP 114 15.662 5.638 -3.831 874 1HB TRP 67 HB2 TRP 114 15.803 4.247 -6.521 875 2HB TRP 67 HB1 TRP 114 16.307 3.500 -5.003 876 HD1 TRP 67 HD1 TRP 114 13.204 5.541 -6.083 877 HE1 TRP 67 HE1 TRP 114 11.113 4.335 -5.196 878 HE3 TRP 67 HE3 TRP 114 15.382 1.540 -3.810 879 HZ2 TRP 67 HZ2 TRP 114 10.468 1.995 -3.705 880 HZ3 TRP 67 HZ3 TRP 114 14.017 -0.160 -2.662 881 HH2 TRP 67 HH2 TRP 114 11.557 0.064 -2.614 882 H ASN 68 HN ASN 115 17.201 7.315 -6.312 883 HA ASN 68 HA ASN 115 19.824 6.283 -6.348 884 1HB ASN 68 HB2 ASN 115 18.857 9.162 -6.437 885 2HB ASN 68 HB1 ASN 115 20.515 8.670 -6.794 886 1HD2 ASN 68 HD22 ASN 115 18.329 6.588 -9.414 887 2HD2 ASN 68 HD21 ASN 115 18.493 6.165 -7.778 888 H VAL 69 HN VAL 116 18.046 7.510 -3.730 889 HA VAL 69 HA VAL 116 20.074 8.771 -2.167 890 HB VAL 69 HB VAL 116 18.623 8.169 -0.213 891 1HG1 VAL 69 HG12 VAL 116 17.384 9.302 -2.728 892 2HG1 VAL 69 HG11 VAL 116 16.544 9.311 -1.178 893 3HG1 VAL 69 HG13 VAL 116 18.064 10.184 -1.360 894 1HG2 VAL 69 HG22 VAL 116 17.153 6.614 -2.362 895 2HG2 VAL 69 HG21 VAL 116 17.805 5.988 -0.850 896 3HG2 VAL 69 HG23 VAL 116 16.411 7.066 -0.833 897 H ASP 70 HN ASP 117 21.746 7.933 -0.952 898 HA ASP 70 HA ASP 117 22.624 5.258 -1.368 899 1HB ASP 70 HB2 ASP 117 23.321 7.255 0.805 900 2HB ASP 70 HB1 ASP 117 24.124 5.696 0.630 901 H GLY 71 HN GLY 118 20.749 6.711 1.294 902 1HA GLY 71 HA2 GLY 118 19.294 5.619 2.806 903 2HA GLY 71 HA1 GLY 118 19.596 4.113 1.935 No H/Q in entry = 903 Start of MODEL 22 1 1H MET 1 HT3 MET 1 -8.784 -0.920 9.737 2 2H MET 1 HT2 MET 1 -9.468 -1.208 11.264 3 3H MET 1 HT1 MET 1 -9.223 0.384 10.728 4 HA MET 1 HA MET 1 -7.288 0.378 11.769 5 1HB MET 1 HB2 MET 1 -7.699 -2.621 11.985 6 2HB MET 1 HB1 MET 1 -6.420 -1.727 12.805 7 1HG MET 1 HG2 MET 1 -9.380 -1.157 13.134 8 2HG MET 1 HG1 MET 1 -8.430 -2.128 14.256 9 1HE MET 1 HE2 MET 1 -7.059 -1.396 15.997 10 2HE MET 1 HE1 MET 1 -5.774 -0.920 14.890 11 3HE MET 1 HE3 MET 1 -6.273 0.169 16.192 12 H VAL 2 HN VAL 2 -5.045 0.142 11.240 13 HA VAL 2 HA VAL 2 -4.590 -0.846 8.460 14 HB VAL 2 HB VAL 2 -2.969 0.974 10.277 15 1HG1 VAL 2 HG11 VAL 2 -2.423 -0.135 7.516 16 2HG1 VAL 2 HG13 VAL 2 -1.673 1.355 8.089 17 3HG1 VAL 2 HG12 VAL 2 -1.367 -0.165 8.929 18 1HG2 VAL 2 HG23 VAL 2 -5.165 1.755 9.121 19 2HG2 VAL 2 HG22 VAL 2 -3.723 2.741 8.892 20 3HG2 VAL 2 HG21 VAL 2 -4.246 1.640 7.620 21 H LYS 3 HN LYS 3 -2.478 -1.958 8.049 22 HA LYS 3 HA LYS 3 -1.493 -3.550 10.388 23 1HB LYS 3 HB2 LYS 3 -3.050 -4.871 8.894 24 2HB LYS 3 HB1 LYS 3 -1.934 -4.585 7.566 25 1HG LYS 3 HG2 LYS 3 -1.332 -6.724 8.392 26 2HG LYS 3 HG1 LYS 3 -0.124 -5.637 9.066 27 1HD LYS 3 HD2 LYS 3 -1.194 -5.635 11.211 28 2HD LYS 3 HD1 LYS 3 -2.642 -6.408 10.563 29 1HE LYS 3 HE2 LYS 3 -1.298 -8.070 11.748 30 2HE LYS 3 HE1 LYS 3 -1.267 -8.422 10.019 31 1HZ LYS 3 HZ2 LYS 3 0.812 -6.850 11.432 32 2HZ LYS 3 HZ1 LYS 3 0.939 -8.512 11.102 33 3HZ LYS 3 HZ3 LYS 3 0.860 -7.398 9.824 34 H GLN 4 HN GLN 4 0.699 -3.287 10.580 35 HA GLN 4 HA GLN 4 2.195 -2.100 8.295 36 1HB GLN 4 HB2 GLN 4 2.418 -1.092 10.557 37 2HB GLN 4 HB1 GLN 4 3.075 -2.619 11.153 38 1HG GLN 4 HG2 GLN 4 4.957 -2.454 9.584 39 2HG GLN 4 HG1 GLN 4 4.282 -0.972 8.904 40 1HE2 GLN 4 HE22 GLN 4 6.483 0.618 11.233 41 2HE2 GLN 4 HE21 GLN 4 6.284 0.187 9.605 42 H ILE 5 HN ILE 5 3.369 -3.410 7.003 43 HA ILE 5 HA ILE 5 3.992 -6.184 7.913 44 HB ILE 5 HB ILE 5 4.270 -4.994 5.147 45 1HG1 ILE 5 HG12 ILE 5 1.945 -4.760 5.805 46 2HG1 ILE 5 HG11 ILE 5 2.086 -6.111 4.681 47 1HG2 ILE 5 HG21 ILE 5 4.230 -7.797 6.264 48 2HG2 ILE 5 HG23 ILE 5 3.971 -7.448 4.561 49 3HG2 ILE 5 HG22 ILE 5 5.502 -7.020 5.318 50 1HD1 ILE 5 HD12 ILE 5 2.306 -7.594 6.808 51 2HD1 ILE 5 HD11 ILE 5 1.670 -6.196 7.672 52 3HD1 ILE 5 HD13 ILE 5 0.712 -6.962 6.408 53 H GLU 6 HN GLU 6 6.001 -6.281 8.859 54 HA GLU 6 HA GLU 6 8.116 -4.414 7.912 55 1HB GLU 6 HB2 GLU 6 8.084 -6.338 10.255 56 2HB GLU 6 HB1 GLU 6 9.353 -5.162 9.898 57 1HG GLU 6 HG2 GLU 6 6.464 -4.373 10.331 58 2HG GLU 6 HG1 GLU 6 7.653 -4.418 11.631 59 H SER 7 HN SER 7 7.055 -7.447 7.053 60 HA SER 7 HA SER 7 9.676 -8.055 5.830 61 1HB SER 7 HB2 SER 7 9.762 -10.345 6.762 62 2HB SER 7 HB1 SER 7 9.863 -9.127 8.040 63 HG SER 7 HG SER 7 7.322 -9.555 7.697 64 H LYS 8 HN LYS 8 9.519 -9.731 4.173 65 HA LYS 8 HA LYS 8 7.028 -9.724 2.722 66 1HB LYS 8 HB2 LYS 8 9.348 -10.182 1.731 67 2HB LYS 8 HB1 LYS 8 9.227 -11.790 2.446 68 1HG LYS 8 HG2 LYS 8 6.951 -11.958 1.231 69 2HG LYS 8 HG1 LYS 8 7.500 -10.574 0.296 70 1HD LYS 8 HD2 LYS 8 9.022 -13.183 0.561 71 2HD LYS 8 HD1 LYS 8 8.006 -12.748 -0.812 72 1HE LYS 8 HE2 LYS 8 9.439 -10.641 -1.016 73 2HE LYS 8 HE1 LYS 8 10.559 -11.420 0.099 74 1HZ LYS 8 HZ2 LYS 8 10.596 -13.337 -1.448 75 2HZ LYS 8 HZ1 LYS 8 9.686 -12.425 -2.552 76 3HZ LYS 8 HZ3 LYS 8 11.241 -11.916 -2.114 77 H THR 9 HN THR 9 8.504 -11.845 5.083 78 HA THR 9 HA THR 9 6.870 -14.116 4.756 79 HB THR 9 HB THR 9 7.873 -12.978 7.379 80 HG1 THR 9 HG1 THR 9 9.117 -14.886 5.700 81 1HG2 THR 9 HG21 THR 9 6.953 -15.710 6.489 82 2HG2 THR 9 HG23 THR 9 7.956 -15.478 7.920 83 3HG2 THR 9 HG22 THR 9 6.351 -14.748 7.838 84 H ALA 10 HN ALA 10 6.303 -11.240 6.792 85 HA ALA 10 HA ALA 10 3.667 -12.088 7.640 86 1HB ALA 10 HB1 ALA 10 5.148 -9.461 7.650 87 2HB ALA 10 HB3 ALA 10 3.442 -9.519 8.096 88 3HB ALA 10 HB2 ALA 10 4.630 -10.436 9.026 89 H PHE 11 HN PHE 11 4.909 -10.306 4.872 90 HA PHE 11 HA PHE 11 2.498 -9.125 3.943 91 1HB PHE 11 HB2 PHE 11 4.842 -8.801 3.003 92 2HB PHE 11 HB1 PHE 11 4.671 -10.361 2.225 93 HD1 PHE 11 HD1 PHE 11 2.729 -7.155 2.595 94 HD2 PHE 11 HD2 PHE 11 3.889 -10.407 0.034 95 HE1 PHE 11 HE1 PHE 11 1.534 -6.101 0.697 96 HE2 PHE 11 HE2 PHE 11 2.692 -9.351 -1.854 97 HZ PHE 11 HZ PHE 11 1.516 -7.202 -1.525 98 H GLN 12 HN GLN 12 3.879 -12.341 3.300 99 HA GLN 12 HA GLN 12 1.777 -13.216 1.544 100 1HB GLN 12 HB2 GLN 12 3.536 -14.852 3.413 101 2HB GLN 12 HB1 GLN 12 2.636 -15.473 2.028 102 1HG GLN 12 HG2 GLN 12 4.820 -13.364 1.869 103 2HG GLN 12 HG1 GLN 12 5.041 -15.076 1.503 104 1HE2 GLN 12 HE22 GLN 12 3.734 -12.747 -1.416 105 2HE2 GLN 12 HE21 GLN 12 4.560 -12.206 -0.037 106 H GLU 13 HN GLU 13 2.265 -13.405 5.050 107 HA GLU 13 HA GLU 13 -0.087 -14.921 5.678 108 1HB GLU 13 HB2 GLU 13 1.506 -12.929 7.315 109 2HB GLU 13 HB1 GLU 13 0.274 -13.987 7.982 110 1HG GLU 13 HG2 GLU 13 2.721 -14.949 6.488 111 2HG GLU 13 HG1 GLU 13 2.585 -14.901 8.246 112 H ALA 14 HN ALA 14 0.505 -11.472 5.316 113 HA ALA 14 HA ALA 14 -2.041 -10.618 6.336 114 1HB ALA 14 HB1 ALA 14 0.076 -9.212 5.957 115 2HB ALA 14 HB3 ALA 14 -0.394 -9.162 4.258 116 3HB ALA 14 HB2 ALA 14 -1.453 -8.467 5.487 117 H LEU 15 HN LEU 15 -0.842 -11.320 3.063 118 HA LEU 15 HA LEU 15 -3.240 -10.653 1.680 119 1HB LEU 15 HB2 LEU 15 -1.078 -12.689 1.067 120 2HB LEU 15 HB1 LEU 15 -2.360 -12.253 -0.062 121 HG LEU 15 HG LEU 15 -0.467 -10.248 1.183 122 1HD1 LEU 15 HD13 LEU 15 -0.283 -11.800 -1.400 123 2HD1 LEU 15 HD12 LEU 15 0.536 -10.259 -1.184 124 3HD1 LEU 15 HD11 LEU 15 0.937 -11.620 -0.141 125 1HD2 LEU 15 HD22 LEU 15 -2.666 -10.114 -0.870 126 2HD2 LEU 15 HD21 LEU 15 -2.264 -8.984 0.418 127 3HD2 LEU 15 HD23 LEU 15 -1.287 -9.033 -1.042 128 H ASP 16 HN ASP 16 -2.136 -13.616 3.277 129 HA ASP 16 HA ASP 16 -4.394 -15.215 2.468 130 1HB ASP 16 HB2 ASP 16 -2.135 -16.033 3.402 131 2HB ASP 16 HB1 ASP 16 -2.780 -15.631 4.995 132 H ALA 17 HN ALA 17 -3.796 -13.041 5.193 133 HA ALA 17 HA ALA 17 -6.142 -13.874 6.683 134 1HB ALA 17 HB2 ALA 17 -4.338 -11.458 6.854 135 2HB ALA 17 HB1 ALA 17 -5.717 -11.689 7.927 136 3HB ALA 17 HB3 ALA 17 -4.390 -12.851 7.935 137 H ALA 18 HN ALA 18 -5.494 -11.316 4.317 138 HA ALA 18 HA ALA 18 -7.922 -9.857 4.661 139 1HB ALA 18 HB3 ALA 18 -6.111 -10.261 2.275 140 2HB ALA 18 HB2 ALA 18 -7.532 -9.219 2.214 141 3HB ALA 18 HB1 ALA 18 -6.218 -8.852 3.330 142 H GLY 19 HN GLY 19 -7.197 -12.838 2.965 143 1HA GLY 19 HA2 GLY 19 -8.642 -14.442 2.058 144 2HA GLY 19 HA1 GLY 19 -9.974 -13.588 2.841 145 H ASP 20 HN ASP 20 -11.463 -13.064 1.313 146 HA ASP 20 HA ASP 20 -10.596 -12.471 -1.454 147 1HB ASP 20 HB2 ASP 20 -13.373 -12.740 -0.265 148 2HB ASP 20 HB1 ASP 20 -12.999 -12.570 -1.979 149 H LYS 21 HN LYS 21 -10.816 -10.650 1.250 150 HA LYS 21 HA LYS 21 -12.369 -8.388 0.263 151 1HB LYS 21 HB2 LYS 21 -10.357 -8.652 2.520 152 2HB LYS 21 HB1 LYS 21 -11.252 -7.172 2.171 153 1HG LYS 21 HG2 LYS 21 -13.379 -8.568 2.361 154 2HG LYS 21 HG1 LYS 21 -12.368 -9.847 3.038 155 1HD LYS 21 HD2 LYS 21 -11.623 -8.362 4.828 156 2HD LYS 21 HD1 LYS 21 -12.529 -7.020 4.124 157 1HE LYS 21 HE2 LYS 21 -13.841 -7.956 5.936 158 2HE LYS 21 HE1 LYS 21 -14.626 -8.361 4.411 159 1HZ LYS 21 HZ2 LYS 21 -12.677 -10.206 5.624 160 2HZ LYS 21 HZ1 LYS 21 -14.299 -10.207 6.136 161 3HZ LYS 21 HZ3 LYS 21 -13.918 -10.543 4.518 162 H LEU 22 HN LEU 22 -11.485 -6.360 -0.510 163 HA LEU 22 HA LEU 22 -9.287 -6.614 -2.293 164 1HB LEU 22 HB2 LEU 22 -11.281 -4.743 -1.863 165 2HB LEU 22 HB1 LEU 22 -9.869 -3.881 -1.269 166 HG LEU 22 HG LEU 22 -10.263 -5.043 -4.035 167 1HD1 LEU 22 HD11 LEU 22 -10.606 -2.366 -2.835 168 2HD1 LEU 22 HD13 LEU 22 -9.539 -2.342 -4.235 169 3HD1 LEU 22 HD12 LEU 22 -11.170 -2.985 -4.379 170 1HD2 LEU 22 HD22 LEU 22 -7.802 -3.941 -2.673 171 2HD2 LEU 22 HD21 LEU 22 -7.947 -5.397 -3.660 172 3HD2 LEU 22 HD23 LEU 22 -7.988 -3.808 -4.414 173 H VAL 23 HN VAL 23 -7.126 -5.581 -2.063 174 HA VAL 23 HA VAL 23 -6.303 -4.923 0.710 175 HB VAL 23 HB VAL 23 -4.877 -6.968 -1.029 176 1HG1 VAL 23 HG11 VAL 23 -4.285 -5.699 1.652 177 2HG1 VAL 23 HG13 VAL 23 -3.603 -7.262 1.204 178 3HG1 VAL 23 HG12 VAL 23 -3.229 -5.830 0.245 179 1HG2 VAL 23 HG22 VAL 23 -6.487 -7.265 1.522 180 2HG2 VAL 23 HG21 VAL 23 -6.918 -7.903 -0.065 181 3HG2 VAL 23 HG23 VAL 23 -5.518 -8.544 0.795 182 H VAL 24 HN VAL 24 -5.290 -3.011 0.543 183 HA VAL 24 HA VAL 24 -3.897 -2.334 -2.014 184 HB VAL 24 HB VAL 24 -4.763 -0.476 0.235 185 1HG1 VAL 24 HG11 VAL 24 -2.884 0.229 -1.342 186 2HG1 VAL 24 HG13 VAL 24 -4.076 0.172 -2.643 187 3HG1 VAL 24 HG12 VAL 24 -4.287 1.299 -1.302 188 1HG2 VAL 24 HG22 VAL 24 -6.143 -1.338 -2.309 189 2HG2 VAL 24 HG21 VAL 24 -6.784 -1.343 -0.669 190 3HG2 VAL 24 HG23 VAL 24 -6.533 0.184 -1.514 191 H VAL 25 HN VAL 25 -1.667 -1.859 -1.920 192 HA VAL 25 HA VAL 25 -0.364 -2.078 0.790 193 HB VAL 25 HB VAL 25 0.775 -3.009 -1.856 194 1HG1 VAL 25 HG13 VAL 25 2.385 -2.340 -0.046 195 2HG1 VAL 25 HG12 VAL 25 1.655 -3.582 0.973 196 3HG1 VAL 25 HG11 VAL 25 2.489 -4.037 -0.508 197 1HG2 VAL 25 HG22 VAL 25 -1.221 -4.344 -1.100 198 2HG2 VAL 25 HG21 VAL 25 0.275 -5.272 -1.140 199 3HG2 VAL 25 HG23 VAL 25 -0.354 -4.689 0.398 200 H ASP 26 HN ASP 26 0.623 -0.193 1.309 201 HA ASP 26 HA ASP 26 1.397 1.684 -0.887 202 1HB ASP 26 HB2 ASP 26 -0.016 2.481 1.035 203 2HB ASP 26 HB1 ASP 26 1.343 2.169 2.111 204 H PHE 27 HN PHE 27 3.499 1.604 -1.537 205 HA PHE 27 HA PHE 27 5.583 0.500 0.279 206 1HB PHE 27 HB2 PHE 27 5.534 1.119 -2.680 207 2HB PHE 27 HB1 PHE 27 7.029 0.731 -1.830 208 HD1 PHE 27 HD1 PHE 27 7.213 -1.468 -0.596 209 HD2 PHE 27 HD2 PHE 27 4.004 -0.599 -3.314 210 HE1 PHE 27 HE1 PHE 27 6.719 -3.890 -0.796 211 HE2 PHE 27 HE2 PHE 27 3.515 -3.010 -3.486 212 HZ PHE 27 HZ PHE 27 4.863 -4.656 -2.244 213 H SER 28 HN SER 28 4.345 3.259 0.533 214 HA SER 28 HA SER 28 6.196 5.226 -0.340 215 1HB SER 28 HB2 SER 28 4.515 5.234 2.174 216 2HB SER 28 HB1 SER 28 5.282 6.644 1.448 217 HG SER 28 HG SER 28 2.995 5.325 0.754 218 H ALA 29 HN ALA 29 7.948 6.203 0.641 219 HA ALA 29 HA ALA 29 9.451 4.483 2.496 220 1HB ALA 29 HB1 ALA 29 10.050 6.745 0.663 221 2HB ALA 29 HB3 ALA 29 10.985 6.765 2.158 222 3HB ALA 29 HB2 ALA 29 11.058 5.367 1.089 223 H THR 30 HN THR 30 9.321 4.783 4.666 224 HA THR 30 HA THR 30 7.711 6.899 5.776 225 HB THR 30 HB THR 30 8.032 4.764 6.967 226 HG1 THR 30 HG1 THR 30 8.152 5.699 8.904 227 1HG2 THR 30 HG23 THR 30 10.436 4.528 6.166 228 2HG2 THR 30 HG22 THR 30 10.880 5.656 7.447 229 3HG2 THR 30 HG21 THR 30 10.154 4.100 7.854 230 H TRP 31 HN TRP 31 11.106 6.497 5.052 231 HA TRP 31 HA TRP 31 12.001 8.789 6.618 232 1HB TRP 31 HB2 TRP 31 14.111 8.501 5.421 233 2HB TRP 31 HB1 TRP 31 13.505 6.933 5.961 234 HD1 TRP 31 HD1 TRP 31 12.837 5.193 4.173 235 HE1 TRP 31 HE1 TRP 31 13.094 5.071 1.614 236 HE3 TRP 31 HE3 TRP 31 13.942 10.074 3.174 237 HZ2 TRP 31 HZ2 TRP 31 13.651 6.825 -0.574 238 HZ3 TRP 31 HZ3 TRP 31 14.299 10.822 0.843 239 HH2 TRP 31 HH2 TRP 31 14.154 9.209 -1.029 240 H CYS 32 HN CYS 32 10.516 8.402 3.516 241 HA CYS 32 HA CYS 32 11.529 11.004 2.546 242 1HB CYS 32 HB2 CYS 32 11.007 8.907 1.082 243 2HB CYS 32 HB1 CYS 32 9.321 9.387 1.255 244 H GLY 33 HN GLY 33 10.667 12.743 3.463 245 1HA GLY 33 HA2 GLY 33 8.288 12.804 4.986 246 2HA GLY 33 HA1 GLY 33 9.099 14.229 4.337 247 HA PRO 34 HA PRO 34 6.174 14.939 1.111 248 1HB PRO 34 HB2 PRO 34 7.529 13.317 -0.993 249 2HB PRO 34 HB1 PRO 34 7.069 15.026 -1.016 250 1HG PRO 34 HG2 PRO 34 9.656 14.197 -0.734 251 2HG PRO 34 HG1 PRO 34 9.053 15.712 -0.048 252 1HD PRO 34 HD2 PRO 34 9.789 13.196 1.345 253 2HD PRO 34 HD1 PRO 34 9.688 14.851 2.003 254 H ALA 35 HN ALA 35 7.318 11.579 1.111 255 HA ALA 35 HA ALA 35 4.766 10.527 0.158 256 1HB ALA 35 HB1 ALA 35 7.237 9.524 0.045 257 2HB ALA 35 HB3 ALA 35 6.758 8.784 1.572 258 3HB ALA 35 HB2 ALA 35 5.829 8.467 0.107 259 H LYS 36 HN LYS 36 6.455 10.652 3.311 260 HA LYS 36 HA LYS 36 4.467 9.275 4.818 261 1HB LYS 36 HB2 LYS 36 6.789 9.919 5.616 262 2HB LYS 36 HB1 LYS 36 6.187 11.562 5.827 263 1HG LYS 36 HG2 LYS 36 4.405 10.672 7.330 264 2HG LYS 36 HG1 LYS 36 5.133 9.071 7.195 265 1HD LYS 36 HD2 LYS 36 7.272 10.005 8.084 266 2HD LYS 36 HD1 LYS 36 6.470 11.560 8.301 267 1HE LYS 36 HE2 LYS 36 5.610 8.961 9.598 268 2HE LYS 36 HE1 LYS 36 6.508 10.249 10.400 269 1HZ LYS 36 HZ2 LYS 36 4.628 11.754 9.756 270 2HZ LYS 36 HZ1 LYS 36 3.758 10.367 9.303 271 3HZ LYS 36 HZ3 LYS 36 4.243 10.572 10.915 272 H MET 37 HN MET 37 4.694 12.579 3.683 273 HA MET 37 HA MET 37 2.679 13.767 5.299 274 1HB MET 37 HB2 MET 37 4.255 14.972 3.741 275 2HB MET 37 HB1 MET 37 3.272 14.408 2.397 276 1HG MET 37 HG2 MET 37 2.045 15.935 4.702 277 2HG MET 37 HG1 MET 37 2.758 16.769 3.321 278 1HE MET 37 HE1 MET 37 2.280 15.886 0.867 279 2HE MET 37 HE3 MET 37 0.598 16.140 0.378 280 3HE MET 37 HE2 MET 37 1.454 17.383 1.287 281 H ILE 38 HN ILE 38 2.470 11.684 2.483 282 HA ILE 38 HA ILE 38 -0.375 12.175 2.041 283 HB ILE 38 HB ILE 38 1.155 9.792 0.966 284 1HG1 ILE 38 HG12 ILE 38 1.162 12.601 -0.208 285 2HG1 ILE 38 HG11 ILE 38 2.531 11.868 0.630 286 1HG2 ILE 38 HG23 ILE 38 -1.110 11.527 -0.085 287 2HG2 ILE 38 HG22 ILE 38 -0.352 10.220 -0.993 288 3HG2 ILE 38 HG21 ILE 38 -1.239 9.862 0.479 289 1HD1 ILE 38 HD13 ILE 38 2.264 9.925 -1.067 290 2HD1 ILE 38 HD12 ILE 38 1.306 11.072 -2.005 291 3HD1 ILE 38 HD11 ILE 38 2.991 11.428 -1.629 292 H LYS 39 HN LYS 39 1.261 10.342 4.402 293 HA LYS 39 HA LYS 39 -0.266 7.968 4.310 294 1HB LYS 39 HB2 LYS 39 0.494 7.398 6.443 295 2HB LYS 39 HB1 LYS 39 1.784 8.380 5.781 296 1HG LYS 39 HG2 LYS 39 1.279 10.211 7.184 297 2HG LYS 39 HG1 LYS 39 -0.341 9.630 7.556 298 1HD LYS 39 HD2 LYS 39 2.236 8.294 8.429 299 2HD LYS 39 HD1 LYS 39 1.230 9.321 9.447 300 1HE LYS 39 HE2 LYS 39 0.316 7.301 10.074 301 2HE LYS 39 HE1 LYS 39 -0.646 7.529 8.615 302 1HZ LYS 39 HZ1 LYS 39 1.684 6.430 7.720 303 2HZ LYS 39 HZ3 LYS 39 1.397 5.602 9.174 304 3HZ LYS 39 HZ2 LYS 39 0.216 5.604 7.950 305 HA PRO 40 HA PRO 40 -3.445 10.130 7.307 306 1HB PRO 40 HB2 PRO 40 -3.832 12.604 5.683 307 2HB PRO 40 HB1 PRO 40 -3.809 12.411 7.447 308 1HG PRO 40 HG2 PRO 40 -1.769 13.581 6.182 309 2HG PRO 40 HG1 PRO 40 -1.477 12.489 7.550 310 1HD PRO 40 HD2 PRO 40 -1.193 11.948 4.620 311 2HD PRO 40 HD1 PRO 40 -0.127 11.427 5.944 312 H PHE 41 HN PHE 41 -3.445 10.749 3.771 313 HA PHE 41 HA PHE 41 -6.285 10.207 3.530 314 1HB PHE 41 HB2 PHE 41 -4.052 10.099 1.476 315 2HB PHE 41 HB1 PHE 41 -5.765 9.941 1.111 316 HD1 PHE 41 HD2 PHE 41 -3.251 12.235 2.615 317 HD2 PHE 41 HD1 PHE 41 -7.153 11.829 0.867 318 HE1 PHE 41 HE2 PHE 41 -3.478 14.707 2.548 319 HE2 PHE 41 HE1 PHE 41 -7.385 14.302 0.806 320 HZ PHE 41 HZ PHE 41 -5.543 15.741 1.640 321 H PHE 42 HN PHE 42 -3.346 8.309 2.791 322 HA PHE 42 HA PHE 42 -4.660 5.878 2.098 323 1HB PHE 42 HB2 PHE 42 -2.260 6.321 1.677 324 2HB PHE 42 HB1 PHE 42 -1.953 6.303 3.417 325 HD1 PHE 42 HD1 PHE 42 -3.088 4.228 0.549 326 HD2 PHE 42 HD2 PHE 42 -1.744 4.260 4.622 327 HE1 PHE 42 HE1 PHE 42 -2.895 1.759 0.505 328 HE2 PHE 42 HE2 PHE 42 -1.545 1.786 4.577 329 HZ PHE 42 HZ PHE 42 -2.127 0.536 2.515 330 H HIS 43 HN HIS 43 -3.340 6.990 5.190 331 HA HIS 43 HA HIS 43 -4.171 4.706 6.716 332 1HB HIS 43 HB2 HIS 43 -2.373 6.225 7.437 333 2HB HIS 43 HB1 HIS 43 -3.534 7.542 7.597 334 HD1 HIS 43 HD1 HIS 43 -2.341 4.434 9.271 335 HD2 HIS 43 HD2 HIS 43 -5.354 7.261 9.778 336 HE1 HIS 43 HE1 HIS 43 -3.369 3.983 11.544 337 H SER 44 HN SER 44 -5.657 7.923 6.248 338 HA SER 44 HA SER 44 -7.836 7.484 8.032 339 1HB SER 44 HB2 SER 44 -7.737 9.227 5.563 340 2HB SER 44 HB1 SER 44 -8.984 9.303 6.804 341 HG SER 44 HG SER 44 -7.588 10.196 8.170 342 H LEU 45 HN LEU 45 -7.407 6.675 4.617 343 HA LEU 45 HA LEU 45 -10.095 5.988 4.042 344 1HB LEU 45 HB2 LEU 45 -7.492 5.006 2.918 345 2HB LEU 45 HB1 LEU 45 -9.026 4.412 2.311 346 HG LEU 45 HG LEU 45 -8.476 7.383 2.501 347 1HD1 LEU 45 HD13 LEU 45 -7.705 5.463 0.287 348 2HD1 LEU 45 HD12 LEU 45 -7.887 7.201 0.028 349 3HD1 LEU 45 HD11 LEU 45 -6.659 6.599 1.139 350 1HD2 LEU 45 HD23 LEU 45 -10.348 5.635 0.873 351 2HD2 LEU 45 HD22 LEU 45 -10.788 6.850 2.072 352 3HD2 LEU 45 HD21 LEU 45 -10.091 7.343 0.536 353 H SER 46 HN SER 46 -7.677 4.234 5.860 354 HA SER 46 HA SER 46 -8.680 1.616 5.643 355 1HB SER 46 HB2 SER 46 -7.686 2.970 8.171 356 2HB SER 46 HB1 SER 46 -7.791 1.233 7.899 357 HG SER 46 HG SER 46 -6.124 3.135 6.643 358 H GLU 47 HN GLU 47 -9.786 4.296 7.692 359 HA GLU 47 HA GLU 47 -11.984 2.668 8.772 360 1HB GLU 47 HB2 GLU 47 -11.188 5.578 9.110 361 2HB GLU 47 HB1 GLU 47 -12.577 4.845 9.912 362 1HG GLU 47 HG2 GLU 47 -10.768 4.715 11.475 363 2HG GLU 47 HG1 GLU 47 -10.968 3.089 10.823 364 H LYS 48 HN LYS 48 -11.487 4.741 6.019 365 HA LYS 48 HA LYS 48 -14.299 5.553 5.789 366 1HB LYS 48 HB2 LYS 48 -12.177 6.692 4.757 367 2HB LYS 48 HB1 LYS 48 -12.323 5.474 3.495 368 1HG LYS 48 HG2 LYS 48 -14.290 7.646 4.232 369 2HG LYS 48 HG1 LYS 48 -13.479 7.390 2.699 370 1HD LYS 48 HD2 LYS 48 -14.760 5.188 2.545 371 2HD LYS 48 HD1 LYS 48 -15.725 5.780 3.899 372 1HE LYS 48 HE2 LYS 48 -16.318 7.789 2.604 373 2HE LYS 48 HE1 LYS 48 -15.361 7.200 1.246 374 1HZ LYS 48 HZ1 LYS 48 -16.793 5.244 1.150 375 2HZ LYS 48 HZ3 LYS 48 -17.726 5.845 2.431 376 3HZ LYS 48 HZ2 LYS 48 -17.689 6.671 0.946 377 H TYR 49 HN TYR 49 -12.141 3.065 4.551 378 HA TYR 49 HA TYR 49 -14.521 1.531 3.523 379 1HB TYR 49 HB2 TYR 49 -11.700 1.682 2.406 380 2HB TYR 49 HB1 TYR 49 -12.870 0.450 1.933 381 HD1 TYR 49 HD2 TYR 49 -14.881 1.048 0.648 382 HD2 TYR 49 HD1 TYR 49 -11.935 3.984 1.716 383 HE1 TYR 49 HE2 TYR 49 -15.847 2.622 -1.009 384 HE2 TYR 49 HE1 TYR 49 -12.897 5.551 0.060 385 HH TYR 49 HH TYR 49 -15.774 4.675 -1.853 386 H SER 50 HN SER 50 -14.370 0.950 5.911 387 HA SER 50 HA SER 50 -12.174 -0.604 6.890 388 1HB SER 50 HB2 SER 50 -13.618 -1.137 8.732 389 2HB SER 50 HB1 SER 50 -13.982 0.514 8.267 390 HG SER 50 HG SER 50 -15.667 -0.466 6.909 391 H ASN 51 HN ASN 51 -14.419 -1.254 4.487 392 HA ASN 51 HA ASN 51 -14.536 -4.172 4.947 393 1HB ASN 51 HB2 ASN 51 -16.461 -2.820 3.953 394 2HB ASN 51 HB1 ASN 51 -15.470 -2.642 2.507 395 1HD2 ASN 51 HD22 ASN 51 -16.229 -5.876 1.322 396 2HD2 ASN 51 HD21 ASN 51 -15.542 -4.358 1.008 397 H VAL 52 HN VAL 52 -12.225 -2.137 3.945 398 HA VAL 52 HA VAL 52 -11.045 -4.127 2.050 399 HB VAL 52 HB VAL 52 -10.995 -1.099 1.902 400 1HG1 VAL 52 HG13 VAL 52 -9.083 -3.143 0.783 401 2HG1 VAL 52 HG12 VAL 52 -9.445 -1.696 -0.163 402 3HG1 VAL 52 HG11 VAL 52 -8.747 -1.547 1.449 403 1HG2 VAL 52 HG23 VAL 52 -11.790 -3.315 -0.018 404 2HG2 VAL 52 HG22 VAL 52 -12.868 -2.162 0.768 405 3HG2 VAL 52 HG21 VAL 52 -11.721 -1.606 -0.449 406 H ILE 53 HN ILE 53 -8.812 -4.547 2.416 407 HA ILE 53 HA ILE 53 -7.867 -3.640 5.107 408 HB ILE 53 HB ILE 53 -6.653 -5.750 3.299 409 1HG1 ILE 53 HG12 ILE 53 -8.963 -6.395 3.690 410 2HG1 ILE 53 HG11 ILE 53 -7.932 -7.387 4.715 411 1HG2 ILE 53 HG21 ILE 53 -5.543 -4.631 5.480 412 2HG2 ILE 53 HG23 ILE 53 -6.541 -5.823 6.299 413 3HG2 ILE 53 HG22 ILE 53 -5.344 -6.342 5.120 414 1HD1 ILE 53 HD13 ILE 53 -8.361 -5.621 6.551 415 2HD1 ILE 53 HD12 ILE 53 -9.666 -5.047 5.516 416 3HD1 ILE 53 HD11 ILE 53 -9.700 -6.692 6.140 417 H PHE 54 HN PHE 54 -6.404 -1.997 5.185 418 HA PHE 54 HA PHE 54 -4.801 -1.351 2.738 419 1HB PHE 54 HB2 PHE 54 -5.420 0.234 5.248 420 2HB PHE 54 HB1 PHE 54 -4.337 0.794 3.972 421 HD1 PHE 54 HD1 PHE 54 -7.816 -0.453 4.542 422 HD2 PHE 54 HD2 PHE 54 -5.217 1.956 2.121 423 HE1 PHE 54 HE1 PHE 54 -9.779 0.415 3.303 424 HE2 PHE 54 HE2 PHE 54 -7.179 2.812 0.872 425 HZ PHE 54 HZ PHE 54 -9.458 2.040 1.462 426 H LEU 55 HN LEU 55 -2.676 -1.957 2.746 427 HA LEU 55 HA LEU 55 -1.334 -2.477 5.384 428 1HB LEU 55 HB2 LEU 55 -0.775 -3.657 2.650 429 2HB LEU 55 HB1 LEU 55 0.333 -3.820 4.012 430 HG LEU 55 HG LEU 55 -1.382 -4.993 5.302 431 1HD1 LEU 55 HD11 LEU 55 -3.146 -4.174 3.022 432 2HD1 LEU 55 HD13 LEU 55 -3.491 -5.685 3.867 433 3HD1 LEU 55 HD12 LEU 55 -3.452 -4.173 4.757 434 1HD2 LEU 55 HD22 LEU 55 -0.825 -5.986 2.510 435 2HD2 LEU 55 HD21 LEU 55 -0.105 -6.501 4.032 436 3HD2 LEU 55 HD23 LEU 55 -1.761 -6.960 3.645 437 H GLU 56 HN GLU 56 0.561 -1.468 5.853 438 HA GLU 56 HA GLU 56 1.518 0.574 3.872 439 1HB GLU 56 HB2 GLU 56 0.663 1.416 6.105 440 2HB GLU 56 HB1 GLU 56 1.967 0.516 6.876 441 1HG GLU 56 HG2 GLU 56 3.586 1.782 5.385 442 2HG GLU 56 HG1 GLU 56 2.228 2.801 4.904 443 H VAL 57 HN VAL 57 3.549 0.222 3.087 444 HA VAL 57 HA VAL 57 5.284 -1.788 4.492 445 HB VAL 57 HB VAL 57 4.998 -1.377 1.505 446 1HG1 VAL 57 HG13 VAL 57 6.519 -3.359 3.208 447 2HG1 VAL 57 HG12 VAL 57 6.304 -3.517 1.466 448 3HG1 VAL 57 HG11 VAL 57 7.206 -2.151 2.122 449 1HG2 VAL 57 HG22 VAL 57 3.963 -3.549 3.345 450 2HG2 VAL 57 HG21 VAL 57 2.981 -2.381 2.456 451 3HG2 VAL 57 HG23 VAL 57 3.903 -3.609 1.585 452 H ASP 58 HN ASP 58 7.382 -1.206 4.782 453 HA ASP 58 HA ASP 58 8.244 1.510 3.895 454 1HB ASP 58 HB2 ASP 58 8.349 0.757 6.320 455 2HB ASP 58 HB1 ASP 58 9.599 -0.385 5.814 456 H VAL 59 HN VAL 59 9.574 1.618 2.123 457 HA VAL 59 HA VAL 59 10.723 -0.767 0.937 458 HB VAL 59 HB VAL 59 11.945 0.848 -0.523 459 1HG1 VAL 59 HG11 VAL 59 9.037 1.504 -0.009 460 2HG1 VAL 59 HG13 VAL 59 9.917 1.918 -1.479 461 3HG1 VAL 59 HG12 VAL 59 9.637 0.226 -1.062 462 1HG2 VAL 59 HG22 VAL 59 10.684 2.909 1.303 463 2HG2 VAL 59 HG21 VAL 59 12.407 2.584 1.135 464 3HG2 VAL 59 HG23 VAL 59 11.505 3.271 -0.215 465 H ASP 60 HN ASP 60 11.669 1.344 3.484 466 HA ASP 60 HA ASP 60 14.537 0.617 3.262 467 1HB ASP 60 HB2 ASP 60 12.948 2.565 4.907 468 2HB ASP 60 HB1 ASP 60 14.584 2.142 5.379 469 H ASP 61 HN ASP 61 11.834 0.116 5.580 470 HA ASP 61 HA ASP 61 13.604 -1.729 7.142 471 1HB ASP 61 HB2 ASP 61 10.783 -0.750 7.714 472 2HB ASP 61 HB1 ASP 61 11.726 -1.806 8.761 473 H ALA 62 HN ALA 62 11.280 -1.717 4.702 474 HA ALA 62 HA ALA 62 10.863 -4.667 4.980 475 1HB ALA 62 HB2 ALA 62 8.863 -2.785 5.190 476 2HB ALA 62 HB1 ALA 62 8.820 -3.124 3.465 477 3HB ALA 62 HB3 ALA 62 8.598 -4.433 4.626 478 H GLN 63 HN GLN 63 13.007 -3.337 3.688 479 HA GLN 63 HA GLN 63 12.629 -2.887 0.910 480 1HB GLN 63 HB2 GLN 63 15.029 -3.126 0.713 481 2HB GLN 63 HB1 GLN 63 14.697 -2.336 2.250 482 1HG GLN 63 HG2 GLN 63 14.773 -4.659 3.311 483 2HG GLN 63 HG1 GLN 63 15.443 -5.232 1.780 484 1HE2 GLN 63 HE22 GLN 63 17.920 -3.543 4.406 485 2HE2 GLN 63 HE21 GLN 63 16.381 -4.148 4.794 486 H ASP 64 HN ASP 64 12.695 -5.813 2.759 487 HA ASP 64 HA ASP 64 13.418 -7.633 0.666 488 1HB ASP 64 HB2 ASP 64 12.180 -9.325 2.090 489 2HB ASP 64 HB1 ASP 64 13.413 -8.413 2.958 490 H VAL 65 HN VAL 65 10.320 -6.251 1.711 491 HA VAL 65 HA VAL 65 8.743 -7.800 -0.157 492 HB VAL 65 HB VAL 65 7.952 -5.111 0.991 493 1HG1 VAL 65 HG11 VAL 65 6.458 -6.253 -0.646 494 2HG1 VAL 65 HG13 VAL 65 6.394 -7.656 0.421 495 3HG1 VAL 65 HG12 VAL 65 5.719 -6.115 0.949 496 1HG2 VAL 65 HG21 VAL 65 8.150 -7.784 2.373 497 2HG2 VAL 65 HG23 VAL 65 8.789 -6.235 2.906 498 3HG2 VAL 65 HG22 VAL 65 7.053 -6.526 2.930 499 H ALA 66 HN ALA 66 10.036 -4.476 -0.149 500 HA ALA 66 HA ALA 66 8.898 -3.812 -2.711 501 1HB ALA 66 HB1 ALA 66 9.777 -2.259 -0.806 502 2HB ALA 66 HB3 ALA 66 11.337 -2.441 -1.611 503 3HB ALA 66 HB2 ALA 66 9.964 -1.760 -2.484 504 H SER 67 HN SER 67 12.071 -5.057 -1.712 505 HA SER 67 HA SER 67 13.356 -4.777 -4.244 506 1HB SER 67 HB2 SER 67 14.897 -6.522 -3.443 507 2HB SER 67 HB1 SER 67 14.570 -5.359 -2.163 508 HG SER 67 HG SER 67 12.726 -7.028 -1.783 509 H GLU 68 HN GLU 68 11.142 -7.192 -2.974 510 HA GLU 68 HA GLU 68 11.499 -9.164 -5.014 511 1HB GLU 68 HB2 GLU 68 10.331 -9.543 -2.852 512 2HB GLU 68 HB1 GLU 68 9.003 -8.532 -3.411 513 1HG GLU 68 HG2 GLU 68 8.696 -10.084 -5.352 514 2HG GLU 68 HG1 GLU 68 9.953 -11.121 -4.674 515 H ALA 69 HN ALA 69 9.346 -6.345 -4.775 516 HA ALA 69 HA ALA 69 8.130 -6.967 -7.384 517 1HB ALA 69 HB2 ALA 69 7.757 -4.665 -5.455 518 2HB ALA 69 HB1 ALA 69 6.860 -4.842 -6.964 519 3HB ALA 69 HB3 ALA 69 6.681 -6.043 -5.685 520 H GLU 70 HN GLU 70 11.027 -5.649 -6.557 521 HA GLU 70 HA GLU 70 12.529 -4.232 -7.667 522 1HB GLU 70 HB2 GLU 70 10.702 -4.792 -10.026 523 2HB GLU 70 HB1 GLU 70 12.294 -4.048 -10.124 524 1HG GLU 70 HG2 GLU 70 11.755 -6.801 -9.001 525 2HG GLU 70 HG1 GLU 70 12.339 -6.471 -10.632 526 H VAL 71 HN VAL 71 10.736 -2.805 -6.174 527 HA VAL 71 HA VAL 71 9.215 -0.908 -7.695 528 HB VAL 71 HB VAL 71 10.500 -0.468 -4.974 529 1HG1 VAL 71 HG11 VAL 71 8.105 0.737 -6.398 530 2HG1 VAL 71 HG13 VAL 71 8.474 1.008 -4.697 531 3HG1 VAL 71 HG12 VAL 71 9.592 1.566 -5.947 532 1HG2 VAL 71 HG21 VAL 71 7.909 -1.824 -5.795 533 2HG2 VAL 71 HG23 VAL 71 9.234 -2.529 -4.872 534 3HG2 VAL 71 HG22 VAL 71 8.228 -1.273 -4.151 535 H LYS 72 HN LYS 72 9.897 0.841 -8.828 536 HA LYS 72 HA LYS 72 12.793 1.526 -8.733 537 1HB LYS 72 HB2 LYS 72 10.701 2.110 -10.843 538 2HB LYS 72 HB1 LYS 72 12.406 2.536 -10.958 539 1HG LYS 72 HG2 LYS 72 11.571 -0.338 -10.481 540 2HG LYS 72 HG1 LYS 72 11.609 0.328 -12.112 541 1HD LYS 72 HD2 LYS 72 14.004 1.030 -11.665 542 2HD LYS 72 HD1 LYS 72 13.922 0.095 -10.175 543 1HE LYS 72 HE2 LYS 72 13.453 -1.942 -11.414 544 2HE LYS 72 HE1 LYS 72 13.332 -1.041 -12.924 545 1HZ LYS 72 HZ3 LYS 72 15.789 -0.982 -11.285 546 2HZ LYS 72 HZ2 LYS 72 15.514 -2.210 -12.430 547 3HZ LYS 72 HZ1 LYS 72 15.600 -0.585 -12.925 548 H ALA 73 HN ALA 73 9.765 2.700 -7.712 549 HA ALA 73 HA ALA 73 10.988 5.209 -6.864 550 1HB ALA 73 HB3 ALA 73 9.052 5.124 -9.154 551 2HB ALA 73 HB2 ALA 73 9.057 6.520 -8.074 552 3HB ALA 73 HB1 ALA 73 10.514 6.091 -8.967 553 H THR 74 HN THR 74 9.647 6.419 -5.428 554 HA THR 74 HA THR 74 7.197 5.030 -4.421 555 HB THR 74 HB THR 74 7.913 5.454 -2.134 556 HG1 THR 74 HG1 THR 74 10.217 6.380 -2.111 557 1HG2 THR 74 HG21 THR 74 10.148 4.329 -3.802 558 2HG2 THR 74 HG23 THR 74 10.099 4.248 -2.044 559 3HG2 THR 74 HG22 THR 74 8.855 3.442 -3.003 560 HA PRO 75 HA PRO 75 5.824 5.665 -2.563 561 1HB PRO 75 HB2 PRO 75 3.234 6.634 -2.562 562 2HB PRO 75 HB1 PRO 75 4.481 7.119 -1.411 563 1HG PRO 75 HG2 PRO 75 3.378 8.634 -3.709 564 2HG PRO 75 HG1 PRO 75 4.122 9.234 -2.220 565 1HD PRO 75 HD2 PRO 75 5.361 9.104 -4.764 566 2HD PRO 75 HD1 PRO 75 6.181 9.409 -3.212 567 H THR 76 HN THR 76 4.958 3.750 -3.283 568 HA THR 76 HA THR 76 3.492 3.768 -5.906 569 HB THR 76 HB THR 76 5.445 1.666 -4.920 570 HG1 THR 76 HG1 THR 76 5.659 3.885 -6.503 571 1HG2 THR 76 HG23 THR 76 3.688 1.871 -7.365 572 2HG2 THR 76 HG22 THR 76 5.079 0.791 -7.287 573 3HG2 THR 76 HG21 THR 76 3.730 0.572 -6.176 574 H PHE 77 HN PHE 77 1.625 2.684 -5.901 575 HA PHE 77 HA PHE 77 0.845 1.215 -3.404 576 1HB PHE 77 HB2 PHE 77 -0.892 2.646 -5.441 577 2HB PHE 77 HB1 PHE 77 -1.470 1.828 -3.989 578 HD1 PHE 77 HD1 PHE 77 -1.060 2.760 -1.762 579 HD2 PHE 77 HD2 PHE 77 0.335 4.748 -5.303 580 HE1 PHE 77 HE1 PHE 77 -0.634 4.817 -0.438 581 HE2 PHE 77 HE2 PHE 77 0.754 6.806 -3.983 582 HZ PHE 77 HZ PHE 77 0.274 6.840 -1.551 583 H GLN 78 HN GLN 78 0.319 -0.911 -3.629 584 HA GLN 78 HA GLN 78 -0.162 -1.975 -6.404 585 1HB GLN 78 HB2 GLN 78 1.320 -3.265 -4.095 586 2HB GLN 78 HB1 GLN 78 0.811 -4.137 -5.536 587 1HG GLN 78 HG2 GLN 78 2.091 -2.434 -6.889 588 2HG GLN 78 HG1 GLN 78 2.763 -1.822 -5.381 589 1HE2 GLN 78 HE22 GLN 78 5.348 -4.186 -6.064 590 2HE2 GLN 78 HE21 GLN 78 4.929 -2.545 -6.135 591 H PHE 79 HN PHE 79 -1.894 -3.296 -6.610 592 HA PHE 79 HA PHE 79 -3.625 -3.622 -4.183 593 1HB PHE 79 HB2 PHE 79 -4.282 -3.569 -7.138 594 2HB PHE 79 HB1 PHE 79 -5.455 -3.892 -5.855 595 HD1 PHE 79 HD2 PHE 79 -3.055 -1.388 -7.176 596 HD2 PHE 79 HD1 PHE 79 -6.302 -2.134 -4.472 597 HE1 PHE 79 HE2 PHE 79 -3.229 1.037 -6.724 598 HE2 PHE 79 HE1 PHE 79 -6.477 0.298 -4.012 599 HZ PHE 79 HZ PHE 79 -4.943 1.886 -5.140 600 H PHE 80 HN PHE 80 -4.119 -5.601 -3.481 601 HA PHE 80 HA PHE 80 -3.486 -7.945 -5.213 602 1HB PHE 80 HB2 PHE 80 -2.923 -7.556 -2.270 603 2HB PHE 80 HB1 PHE 80 -2.935 -9.143 -3.038 604 HD1 PHE 80 HD2 PHE 80 -1.200 -5.858 -2.885 605 HD2 PHE 80 HD1 PHE 80 -1.205 -9.817 -4.576 606 HE1 PHE 80 HE2 PHE 80 1.133 -5.543 -3.661 607 HE2 PHE 80 HE1 PHE 80 1.127 -9.489 -5.351 608 HZ PHE 80 HZ PHE 80 2.298 -7.351 -4.893 609 H LYS 81 HN LYS 81 -4.922 -9.707 -5.009 610 HA LYS 81 HA LYS 81 -7.227 -9.433 -3.163 611 1HB LYS 81 HB2 LYS 81 -7.669 -8.232 -5.431 612 2HB LYS 81 HB1 LYS 81 -7.730 -9.857 -6.117 613 1HG LYS 81 HG2 LYS 81 -9.478 -10.455 -4.442 614 2HG LYS 81 HG1 LYS 81 -9.457 -8.787 -3.871 615 1HD LYS 81 HD2 LYS 81 -9.980 -8.072 -6.244 616 2HD LYS 81 HD1 LYS 81 -10.256 -9.773 -6.620 617 1HE LYS 81 HE2 LYS 81 -11.975 -9.886 -4.851 618 2HE LYS 81 HE1 LYS 81 -11.706 -8.181 -4.483 619 1HZ LYS 81 HZ2 LYS 81 -12.104 -8.272 -7.192 620 2HZ LYS 81 HZ1 LYS 81 -13.251 -9.356 -6.567 621 3HZ LYS 81 HZ3 LYS 81 -13.222 -7.750 -6.027 622 H LYS 82 HN LYS 82 -7.609 -11.446 -2.364 623 HA LYS 82 HA LYS 82 -7.455 -13.783 -2.120 624 1HB LYS 82 HB2 LYS 82 -7.612 -13.678 -5.168 625 2HB LYS 82 HB1 LYS 82 -7.753 -15.141 -4.204 626 1HG LYS 82 HG2 LYS 82 -9.668 -13.951 -2.978 627 2HG LYS 82 HG1 LYS 82 -9.635 -12.780 -4.297 628 1HD LYS 82 HD2 LYS 82 -9.867 -14.732 -5.899 629 2HD LYS 82 HD1 LYS 82 -10.157 -15.758 -4.494 630 1HE LYS 82 HE2 LYS 82 -12.313 -15.107 -5.326 631 2HE LYS 82 HE1 LYS 82 -12.037 -14.169 -3.857 632 1HZ LYS 82 HZ3 LYS 82 -10.994 -12.860 -6.163 633 2HZ LYS 82 HZ2 LYS 82 -12.653 -13.179 -6.332 634 3HZ LYS 82 HZ1 LYS 82 -12.089 -12.281 -5.005 635 H GLY 83 HN GLY 83 -5.065 -12.008 -2.521 636 1HA GLY 83 HA2 GLY 83 -2.757 -12.438 -2.344 637 2HA GLY 83 HA1 GLY 83 -3.076 -14.137 -2.691 638 H GLN 84 HN GLN 84 -4.480 -11.897 -4.896 639 HA GLN 84 HA GLN 84 -2.344 -12.508 -6.911 640 1HB GLN 84 HB2 GLN 84 -5.284 -11.930 -7.391 641 2HB GLN 84 HB1 GLN 84 -4.095 -12.349 -8.616 642 1HG GLN 84 HG2 GLN 84 -4.900 -14.153 -6.317 643 2HG GLN 84 HG1 GLN 84 -5.520 -14.283 -7.960 644 1HE2 GLN 84 HE22 GLN 84 -1.626 -15.359 -7.230 645 2HE2 GLN 84 HE21 GLN 84 -2.402 -14.273 -6.180 646 H LYS 85 HN LYS 85 -1.411 -10.771 -7.966 647 HA LYS 85 HA LYS 85 -2.129 -8.040 -7.089 648 1HB LYS 85 HB2 LYS 85 0.242 -8.744 -7.462 649 2HB LYS 85 HB1 LYS 85 -0.117 -8.961 -9.174 650 1HG LYS 85 HG2 LYS 85 -0.797 -6.550 -9.286 651 2HG LYS 85 HG1 LYS 85 -0.284 -6.369 -7.608 652 1HD LYS 85 HD2 LYS 85 1.993 -7.050 -8.201 653 2HD LYS 85 HD1 LYS 85 1.495 -7.318 -9.871 654 1HE LYS 85 HE2 LYS 85 0.791 -4.865 -9.920 655 2HE LYS 85 HE1 LYS 85 1.633 -4.687 -8.382 656 1HZ LYS 85 HZ1 LYS 85 2.990 -5.923 -10.684 657 2HZ LYS 85 HZ3 LYS 85 2.905 -4.235 -10.555 658 3HZ LYS 85 HZ2 LYS 85 3.666 -5.141 -9.337 659 H VAL 86 HN VAL 86 -3.667 -6.878 -8.119 660 HA VAL 86 HA VAL 86 -4.251 -7.510 -10.992 661 HB VAL 86 HB VAL 86 -6.606 -6.834 -10.478 662 1HG1 VAL 86 HG12 VAL 86 -5.709 -9.243 -10.406 663 2HG1 VAL 86 HG11 VAL 86 -5.699 -9.073 -8.649 664 3HG1 VAL 86 HG13 VAL 86 -7.216 -8.947 -9.542 665 1HG2 VAL 86 HG22 VAL 86 -5.867 -5.535 -8.370 666 2HG2 VAL 86 HG21 VAL 86 -7.332 -6.503 -8.233 667 3HG2 VAL 86 HG23 VAL 86 -5.814 -7.104 -7.569 668 H GLY 87 HN GLY 87 -2.735 -5.202 -9.253 669 1HA GLY 87 HA2 GLY 87 -3.082 -3.196 -11.260 670 2HA GLY 87 HA1 GLY 87 -4.161 -2.813 -9.927 671 H GLU 88 HN GLU 88 -1.858 -1.308 -10.906 672 HA GLU 88 HA GLU 88 -0.641 -0.706 -8.347 673 1HB GLU 88 HB2 GLU 88 0.823 -2.550 -8.843 674 2HB GLU 88 HB1 GLU 88 1.058 -1.996 -10.496 675 1HG GLU 88 HG2 GLU 88 2.241 0.004 -9.698 676 2HG GLU 88 HG1 GLU 88 1.914 -0.447 -8.024 677 H PHE 89 HN PHE 89 0.480 1.293 -8.406 678 HA PHE 89 HA PHE 89 1.025 2.624 -10.932 679 1HB PHE 89 HB2 PHE 89 -0.578 4.403 -10.844 680 2HB PHE 89 HB1 PHE 89 -1.488 2.901 -10.707 681 HD1 PHE 89 HD1 PHE 89 -0.019 5.702 -8.780 682 HD2 PHE 89 HD2 PHE 89 -2.820 2.449 -8.756 683 HE1 PHE 89 HE1 PHE 89 -0.962 6.543 -6.649 684 HE2 PHE 89 HE2 PHE 89 -3.774 3.297 -6.620 685 HZ PHE 89 HZ PHE 89 -2.843 5.352 -5.585 686 H SER 90 HN SER 90 1.955 4.793 -10.549 687 HA SER 90 HA SER 90 2.985 5.145 -7.746 688 1HB SER 90 HB2 SER 90 5.097 5.940 -8.737 689 2HB SER 90 HB1 SER 90 4.773 4.264 -9.180 690 HG SER 90 HG SER 90 4.741 6.592 -10.712 691 H GLY 91 HN GLY 91 3.619 7.338 -7.243 692 1HA GLY 91 HA2 GLY 91 3.653 9.716 -8.124 693 2HA GLY 91 HA1 GLY 91 2.065 9.383 -8.812 694 H ALA 92 HN ALA 92 3.025 11.285 -6.627 695 HA ALA 92 HA ALA 92 1.755 10.271 -4.200 696 1HB ALA 92 HB1 ALA 92 2.906 12.928 -5.050 697 2HB ALA 92 HB3 ALA 92 2.076 12.740 -3.506 698 3HB ALA 92 HB2 ALA 92 3.534 11.806 -3.849 699 H ASN 93 HN ASN 93 -0.306 9.839 -5.709 700 HA ASN 93 HA ASN 93 -2.079 12.266 -5.526 701 1HB ASN 93 HB2 ASN 93 -1.673 11.502 -7.882 702 2HB ASN 93 HB1 ASN 93 -2.376 9.941 -7.448 703 1HD2 ASN 93 HD22 ASN 93 -4.819 13.076 -8.198 704 2HD2 ASN 93 HD21 ASN 93 -3.135 13.194 -8.371 705 H LYS 94 HN LYS 94 -2.985 11.858 -3.537 706 HA LYS 94 HA LYS 94 -3.674 9.245 -2.572 707 1HB LYS 94 HB2 LYS 94 -5.018 10.541 -0.906 708 2HB LYS 94 HB1 LYS 94 -3.331 11.011 -1.000 709 1HG LYS 94 HG2 LYS 94 -5.078 12.521 -2.856 710 2HG LYS 94 HG1 LYS 94 -5.508 12.753 -1.175 711 1HD LYS 94 HD2 LYS 94 -3.026 13.256 -0.761 712 2HD LYS 94 HD1 LYS 94 -2.858 13.321 -2.521 713 1HE LYS 94 HE2 LYS 94 -4.585 15.059 -2.631 714 2HE LYS 94 HE1 LYS 94 -4.802 14.972 -0.883 715 1HZ LYS 94 HZ3 LYS 94 -2.350 15.511 -0.751 716 2HZ LYS 94 HZ2 LYS 94 -2.440 15.919 -2.396 717 3HZ LYS 94 HZ1 LYS 94 -3.370 16.769 -1.254 718 H GLU 95 HN GLU 95 -5.521 11.647 -4.415 719 HA GLU 95 HA GLU 95 -8.097 10.457 -4.000 720 1HB GLU 95 HB2 GLU 95 -7.071 12.086 -6.346 721 2HB GLU 95 HB1 GLU 95 -8.761 11.723 -6.021 722 1HG GLU 95 HG2 GLU 95 -6.948 13.190 -4.090 723 2HG GLU 95 HG1 GLU 95 -8.066 13.982 -5.198 724 H LYS 96 HN LYS 96 -5.462 9.744 -6.143 725 HA LYS 96 HA LYS 96 -6.788 8.172 -8.092 726 1HB LYS 96 HB2 LYS 96 -4.396 8.990 -8.099 727 2HB LYS 96 HB1 LYS 96 -4.012 7.704 -6.974 728 1HG LYS 96 HG2 LYS 96 -4.522 6.017 -8.543 729 2HG LYS 96 HG1 LYS 96 -5.358 7.144 -9.614 730 1HD LYS 96 HD2 LYS 96 -3.204 8.331 -10.003 731 2HD LYS 96 HD1 LYS 96 -2.387 7.138 -8.999 732 1HE LYS 96 HE2 LYS 96 -3.202 5.343 -10.550 733 2HE LYS 96 HE1 LYS 96 -3.877 6.598 -11.587 734 1HZ LYS 96 HZ1 LYS 96 -1.075 6.854 -10.812 735 2HZ LYS 96 HZ3 LYS 96 -1.460 5.646 -11.938 736 3HZ LYS 96 HZ2 LYS 96 -1.842 7.268 -12.269 737 H LEU 97 HN LEU 97 -5.512 7.381 -4.892 738 HA LEU 97 HA LEU 97 -5.808 4.568 -4.960 739 1HB LEU 97 HB2 LEU 97 -6.195 6.573 -2.720 740 2HB LEU 97 HB1 LEU 97 -6.244 4.839 -2.452 741 HG LEU 97 HG LEU 97 -3.885 6.160 -3.767 742 1HD1 LEU 97 HD12 LEU 97 -4.263 7.237 -1.583 743 2HD1 LEU 97 HD11 LEU 97 -4.307 5.656 -0.814 744 3HD1 LEU 97 HD13 LEU 97 -2.815 6.236 -1.550 745 1HD2 LEU 97 HD23 LEU 97 -4.549 3.471 -3.428 746 2HD2 LEU 97 HD22 LEU 97 -2.921 4.082 -3.659 747 3HD2 LEU 97 HD21 LEU 97 -3.518 3.780 -2.033 748 H GLU 98 HN GLU 98 -8.085 7.149 -4.282 749 HA GLU 98 HA GLU 98 -10.264 5.531 -3.408 750 1HB GLU 98 HB2 GLU 98 -10.132 8.008 -3.166 751 2HB GLU 98 HB1 GLU 98 -10.404 8.164 -4.903 752 1HG GLU 98 HG2 GLU 98 -12.572 6.958 -4.645 753 2HG GLU 98 HG1 GLU 98 -12.310 6.904 -2.903 754 H ALA 99 HN ALA 99 -9.376 6.619 -6.680 755 HA ALA 99 HA ALA 99 -11.704 5.497 -7.936 756 1HB ALA 99 HB2 ALA 99 -10.251 7.243 -8.970 757 2HB ALA 99 HB1 ALA 99 -8.992 6.024 -9.178 758 3HB ALA 99 HB3 ALA 99 -10.527 5.862 -10.034 759 H THR 100 HN THR 100 -8.401 4.212 -7.507 760 HA THR 100 HA THR 100 -8.910 1.824 -9.007 761 HB THR 100 HB THR 100 -6.923 2.132 -6.742 762 HG1 THR 100 HG1 THR 100 -7.135 3.463 -9.041 763 1HG2 THR 100 HG21 THR 100 -7.108 0.369 -9.195 764 2HG2 THR 100 HG23 THR 100 -5.651 0.520 -8.212 765 3HG2 THR 100 HG22 THR 100 -7.126 -0.144 -7.507 766 H ILE 101 HN ILE 101 -9.248 2.578 -5.564 767 HA ILE 101 HA ILE 101 -9.891 -0.070 -4.657 768 HB ILE 101 HB ILE 101 -10.723 2.682 -3.673 769 1HG1 ILE 101 HG12 ILE 101 -8.855 0.717 -2.328 770 2HG1 ILE 101 HG11 ILE 101 -8.264 1.799 -3.589 771 1HG2 ILE 101 HG21 ILE 101 -11.312 -0.071 -2.564 772 2HG2 ILE 101 HG23 ILE 101 -11.240 1.346 -1.513 773 3HG2 ILE 101 HG22 ILE 101 -12.428 1.276 -2.815 774 1HD1 ILE 101 HD13 ILE 101 -9.160 3.740 -2.290 775 2HD1 ILE 101 HD12 ILE 101 -9.618 2.628 -1.000 776 3HD1 ILE 101 HD11 ILE 101 -7.917 2.850 -1.412 777 H ASN 102 HN ASN 102 -11.938 2.644 -5.699 778 HA ASN 102 HA ASN 102 -14.441 1.297 -5.556 779 1HB ASN 102 HB2 ASN 102 -14.220 3.747 -5.851 780 2HB ASN 102 HB1 ASN 102 -13.559 3.487 -7.465 781 1HD2 ASN 102 HD22 ASN 102 -17.526 3.603 -7.027 782 2HD2 ASN 102 HD21 ASN 102 -16.427 4.156 -5.855 783 H GLU 103 HN GLU 103 -11.945 1.441 -8.018 784 HA GLU 103 HA GLU 103 -13.423 0.206 -10.131 785 1HB GLU 103 HB2 GLU 103 -11.232 1.481 -10.307 786 2HB GLU 103 HB1 GLU 103 -10.436 0.053 -9.644 787 1HG GLU 103 HG2 GLU 103 -11.471 -1.297 -11.520 788 2HG GLU 103 HG1 GLU 103 -11.993 0.231 -12.234 789 H LEU 104 HN LEU 104 -11.330 -1.111 -7.566 790 HA LEU 104 HA LEU 104 -11.914 -3.876 -8.511 791 1HB LEU 104 HB2 LEU 104 -9.994 -2.859 -6.413 792 2HB LEU 104 HB1 LEU 104 -10.132 -4.536 -6.933 793 HG LEU 104 HG LEU 104 -9.392 -2.198 -8.723 794 1HD1 LEU 104 HD13 LEU 104 -7.741 -4.349 -7.383 795 2HD1 LEU 104 HD12 LEU 104 -7.149 -3.391 -8.736 796 3HD1 LEU 104 HD11 LEU 104 -7.574 -2.603 -7.217 797 1HD2 LEU 104 HD21 LEU 104 -9.814 -5.152 -9.186 798 2HD2 LEU 104 HD23 LEU 104 -10.331 -3.787 -10.178 799 3HD2 LEU 104 HD22 LEU 104 -8.642 -4.275 -10.174 800 H VAL 105 HN VAL 105 -13.299 -1.710 -6.348 801 HA VAL 105 HA VAL 105 -13.679 -3.395 -4.052 802 HB VAL 105 HB VAL 105 -14.221 -0.889 -4.230 803 1HG1 VAL 105 HG11 VAL 105 -15.724 -1.379 -6.318 804 2HG1 VAL 105 HG13 VAL 105 -16.952 -1.793 -5.127 805 3HG1 VAL 105 HG12 VAL 105 -16.261 -0.174 -5.152 806 1HG2 VAL 105 HG23 VAL 105 -14.805 -2.316 -2.279 807 2HG2 VAL 105 HG22 VAL 105 -16.004 -1.055 -2.560 808 3HG2 VAL 105 HG21 VAL 105 -16.339 -2.714 -3.055 809 HA PRO 59 HA PRO 106 14.537 16.440 -13.448 810 1HB PRO 59 HB2 PRO 106 17.018 16.485 -11.759 811 2HB PRO 59 HB1 PRO 106 16.805 15.928 -13.432 812 1HG PRO 59 HG2 PRO 106 17.996 18.247 -12.899 813 2HG PRO 59 HG1 PRO 106 16.921 18.068 -14.299 814 1HD PRO 59 HD2 PRO 106 16.389 19.425 -11.675 815 2HD PRO 59 HD1 PRO 106 15.818 19.856 -13.305 816 H ALA 60 HN ALA 107 14.892 17.554 -10.124 817 HA ALA 60 HA ALA 107 14.188 14.866 -9.056 818 1HB ALA 60 HB1 ALA 107 14.975 17.473 -7.722 819 2HB ALA 60 HB3 ALA 107 14.526 16.015 -6.835 820 3HB ALA 60 HB2 ALA 107 15.958 16.017 -7.867 821 H THR 61 HN THR 108 12.052 14.413 -8.757 822 HA THR 61 HA THR 108 10.109 16.690 -8.608 823 HB THR 61 HB THR 108 9.551 13.735 -9.032 824 HG1 THR 61 HG1 THR 108 10.875 14.960 -10.650 825 1HG2 THR 61 HG23 THR 108 7.703 15.293 -8.212 826 2HG2 THR 61 HG22 THR 108 7.855 16.134 -9.753 827 3HG2 THR 61 HG21 THR 108 7.375 14.438 -9.716 828 H LEU 62 HN LEU 109 9.144 17.136 -6.686 829 HA LEU 62 HA LEU 109 9.808 15.654 -4.299 830 1HB LEU 62 HB2 LEU 109 7.755 17.811 -4.861 831 2HB LEU 62 HB1 LEU 109 8.020 17.139 -3.253 832 HG LEU 62 HG LEU 109 10.257 18.332 -4.909 833 1HD1 LEU 62 HD12 LEU 109 8.409 19.667 -2.911 834 2HD1 LEU 62 HD11 LEU 109 9.940 20.363 -3.446 835 3HD1 LEU 62 HD13 LEU 109 8.637 20.100 -4.605 836 1HD2 LEU 62 HD21 LEU 109 9.910 17.486 -2.024 837 2HD2 LEU 62 HD23 LEU 109 11.201 17.065 -3.151 838 3HD2 LEU 62 HD22 LEU 109 11.126 18.685 -2.468 839 H LYS 63 HN LYS 110 7.148 15.603 -6.552 840 HA LYS 63 HA LYS 110 5.235 14.190 -4.981 841 1HB LYS 63 HB2 LYS 110 5.707 14.059 -7.979 842 2HB LYS 63 HB1 LYS 110 4.239 13.548 -7.151 843 1HG LYS 63 HG2 LYS 110 5.359 16.368 -7.194 844 2HG LYS 63 HG1 LYS 110 3.962 15.806 -8.107 845 1HD LYS 63 HD2 LYS 110 3.039 15.116 -5.739 846 2HD LYS 63 HD1 LYS 110 4.236 16.265 -5.142 847 1HE LYS 63 HE2 LYS 110 3.262 18.044 -6.499 848 2HE LYS 63 HE1 LYS 110 2.115 16.909 -7.210 849 1HZ LYS 63 HZ2 LYS 110 2.267 17.278 -4.286 850 2HZ LYS 63 HZ1 LYS 110 1.349 18.335 -5.249 851 3HZ LYS 63 HZ3 LYS 110 0.982 16.680 -5.220 852 H ILE 64 HN ILE 111 8.198 13.169 -6.424 853 HA ILE 64 HA ILE 111 7.596 10.307 -5.694 854 HB ILE 64 HB ILE 111 9.068 11.351 -8.145 855 1HG1 ILE 64 HG12 ILE 111 6.618 11.289 -8.366 856 2HG1 ILE 64 HG11 ILE 111 7.367 10.069 -9.388 857 1HG2 ILE 64 HG23 ILE 111 8.897 8.575 -6.968 858 2HG2 ILE 64 HG22 ILE 111 9.289 8.858 -8.663 859 3HG2 ILE 64 HG21 ILE 111 10.347 9.486 -7.398 860 1HD1 ILE 64 HD13 ILE 111 6.961 8.569 -7.165 861 2HD1 ILE 64 HD12 ILE 111 5.665 9.740 -6.965 862 3HD1 ILE 64 HD11 ILE 111 5.740 8.752 -8.421 863 H CYS 65 HN CYS 112 9.344 9.254 -4.611 864 HA CYS 65 HA CYS 112 11.716 10.975 -3.988 865 1HB CYS 65 HB2 CYS 112 11.035 8.365 -2.614 866 2HB CYS 65 HB1 CYS 112 12.079 9.656 -2.035 867 H SER 66 HN SER 113 13.619 10.444 -4.986 868 HA SER 66 HA SER 113 13.720 8.153 -6.791 869 1HB SER 66 HB2 SER 113 15.853 10.128 -5.938 870 2HB SER 66 HB1 SER 113 16.044 8.938 -7.221 871 HG SER 66 HG SER 113 13.982 10.894 -7.123 872 H TRP 67 HN TRP 114 14.949 6.268 -6.574 873 HA TRP 67 HA TRP 114 15.569 5.438 -3.837 874 1HB TRP 67 HB2 TRP 114 15.819 4.041 -6.523 875 2HB TRP 67 HB1 TRP 114 16.272 3.285 -4.991 876 HD1 TRP 67 HD1 TRP 114 13.226 5.305 -6.249 877 HE1 TRP 67 HE1 TRP 114 11.094 4.163 -5.376 878 HE3 TRP 67 HE3 TRP 114 15.281 1.390 -3.707 879 HZ2 TRP 67 HZ2 TRP 114 10.380 1.909 -3.805 880 HZ3 TRP 67 HZ3 TRP 114 13.845 -0.247 -2.545 881 HH2 TRP 67 HH2 TRP 114 11.388 0.010 -2.607 882 H ASN 68 HN ASN 115 17.276 6.901 -6.427 883 HA ASN 68 HA ASN 115 19.901 5.885 -6.051 884 1HB ASN 68 HB2 ASN 115 18.930 8.671 -6.799 885 2HB ASN 68 HB1 ASN 115 20.626 8.168 -6.877 886 1HD2 ASN 68 HD22 ASN 115 18.745 5.523 -9.216 887 2HD2 ASN 68 HD21 ASN 115 18.740 5.459 -7.520 888 H VAL 69 HN VAL 116 17.849 7.519 -3.956 889 HA VAL 69 HA VAL 116 19.665 9.083 -2.393 890 HB VAL 69 HB VAL 116 17.208 9.301 -2.265 891 1HG1 VAL 69 HG11 VAL 116 16.914 6.734 -2.479 892 2HG1 VAL 69 HG13 VAL 116 17.140 6.697 -0.733 893 3HG1 VAL 69 HG12 VAL 116 15.795 7.599 -1.436 894 1HG2 VAL 69 HG23 VAL 116 18.827 9.770 -0.273 895 2HG2 VAL 69 HG22 VAL 116 17.096 9.706 0.050 896 3HG2 VAL 69 HG21 VAL 116 18.118 8.320 0.442 897 H ASP 70 HN ASP 117 20.884 8.498 -0.562 898 HA ASP 70 HA ASP 117 21.944 5.868 -0.436 899 1HB ASP 70 HB2 ASP 117 21.934 8.119 1.589 900 2HB ASP 70 HB1 ASP 117 22.835 6.617 1.818 901 H GLY 71 HN GLY 118 19.343 7.416 1.429 902 1HA GLY 71 HA2 GLY 118 17.666 6.448 2.756 903 2HA GLY 71 HA1 GLY 118 18.025 4.928 1.937 No H/Q in entry = 903 Start of MODEL 23 1 1H MET 1 HT3 MET 1 -8.594 -1.227 9.384 2 2H MET 1 HT2 MET 1 -8.873 -1.748 10.977 3 3H MET 1 HT1 MET 1 -9.434 -0.227 10.466 4 HA MET 1 HA MET 1 -7.494 0.767 10.856 5 1HB MET 1 HB2 MET 1 -6.927 -1.935 12.127 6 2HB MET 1 HB1 MET 1 -6.013 -0.460 12.449 7 1HG MET 1 HG2 MET 1 -8.997 -0.753 12.894 8 2HG MET 1 HG1 MET 1 -7.786 -0.907 14.163 9 1HE MET 1 HE3 MET 1 -6.155 0.622 14.756 10 2HE MET 1 HE2 MET 1 -5.621 1.646 13.428 11 3HE MET 1 HE1 MET 1 -6.365 2.375 14.849 12 H VAL 2 HN VAL 2 -4.936 0.441 10.704 13 HA VAL 2 HA VAL 2 -4.439 -0.763 8.013 14 HB VAL 2 HB VAL 2 -2.852 1.205 9.694 15 1HG1 VAL 2 HG11 VAL 2 -2.239 -0.172 7.073 16 2HG1 VAL 2 HG13 VAL 2 -1.506 1.373 7.501 17 3HG1 VAL 2 HG12 VAL 2 -1.217 -0.046 8.504 18 1HG2 VAL 2 HG21 VAL 2 -4.494 1.404 7.154 19 2HG2 VAL 2 HG23 VAL 2 -4.754 2.262 8.674 20 3HG2 VAL 2 HG22 VAL 2 -3.363 2.656 7.666 21 H LYS 3 HN LYS 3 -2.318 -1.914 7.746 22 HA LYS 3 HA LYS 3 -1.427 -3.344 10.233 23 1HB LYS 3 HB2 LYS 3 -2.953 -4.739 8.746 24 2HB LYS 3 HB1 LYS 3 -1.754 -4.569 7.468 25 1HG LYS 3 HG2 LYS 3 -1.092 -6.598 8.399 26 2HG LYS 3 HG1 LYS 3 -0.089 -5.484 9.321 27 1HD LYS 3 HD2 LYS 3 -1.936 -5.448 11.071 28 2HD LYS 3 HD1 LYS 3 -2.684 -6.775 10.186 29 1HE LYS 3 HE2 LYS 3 -1.301 -7.688 11.978 30 2HE LYS 3 HE1 LYS 3 -0.571 -8.080 10.422 31 1HZ LYS 3 HZ2 LYS 3 0.229 -5.570 11.668 32 2HZ LYS 3 HZ1 LYS 3 0.794 -7.000 12.393 33 3HZ LYS 3 HZ3 LYS 3 1.148 -6.679 10.765 34 H GLN 4 HN GLN 4 0.777 -3.198 10.469 35 HA GLN 4 HA GLN 4 2.354 -2.074 8.204 36 1HB GLN 4 HB2 GLN 4 2.543 -0.992 10.433 37 2HB GLN 4 HB1 GLN 4 3.109 -2.513 11.118 38 1HG GLN 4 HG2 GLN 4 5.054 -2.471 9.568 39 2HG GLN 4 HG1 GLN 4 4.495 -0.928 8.927 40 1HE2 GLN 4 HE22 GLN 4 6.610 0.537 11.375 41 2HE2 GLN 4 HE21 GLN 4 6.359 0.267 9.719 42 H ILE 5 HN ILE 5 3.495 -3.457 6.957 43 HA ILE 5 HA ILE 5 4.109 -6.201 7.977 44 HB ILE 5 HB ILE 5 4.357 -5.127 5.156 45 1HG1 ILE 5 HG12 ILE 5 2.041 -4.828 5.788 46 2HG1 ILE 5 HG11 ILE 5 2.144 -6.276 4.791 47 1HG2 ILE 5 HG22 ILE 5 5.553 -7.230 5.723 48 2HG2 ILE 5 HG21 ILE 5 4.021 -7.928 6.253 49 3HG2 ILE 5 HG23 ILE 5 4.250 -7.483 4.568 50 1HD1 ILE 5 HD13 ILE 5 2.372 -7.565 7.029 51 2HD1 ILE 5 HD12 ILE 5 1.776 -6.086 7.779 52 3HD1 ILE 5 HD11 ILE 5 0.782 -6.939 6.602 53 H GLU 6 HN GLU 6 6.199 -6.362 8.785 54 HA GLU 6 HA GLU 6 8.245 -4.431 7.818 55 1HB GLU 6 HB2 GLU 6 8.303 -6.376 10.147 56 2HB GLU 6 HB1 GLU 6 9.528 -5.162 9.774 57 1HG GLU 6 HG2 GLU 6 8.210 -4.057 11.369 58 2HG GLU 6 HG1 GLU 6 7.551 -3.465 9.849 59 H SER 7 HN SER 7 7.207 -7.483 6.990 60 HA SER 7 HA SER 7 9.785 -8.051 5.667 61 1HB SER 7 HB2 SER 7 9.939 -10.352 6.568 62 2HB SER 7 HB1 SER 7 10.099 -9.142 7.846 63 HG SER 7 HG SER 7 8.594 -10.991 8.170 64 H LYS 8 HN LYS 8 9.614 -9.754 4.062 65 HA LYS 8 HA LYS 8 7.140 -9.739 2.606 66 1HB LYS 8 HB2 LYS 8 9.460 -10.209 1.659 67 2HB LYS 8 HB1 LYS 8 9.326 -11.816 2.373 68 1HG LYS 8 HG2 LYS 8 7.086 -12.001 1.115 69 2HG LYS 8 HG1 LYS 8 7.628 -10.592 0.201 70 1HD LYS 8 HD2 LYS 8 9.041 -13.270 0.407 71 2HD LYS 8 HD1 LYS 8 8.263 -12.596 -1.025 72 1HE LYS 8 HE2 LYS 8 9.895 -10.603 -0.712 73 2HE LYS 8 HE1 LYS 8 10.796 -11.696 0.336 74 1HZ LYS 8 HZ1 LYS 8 10.915 -13.287 -1.477 75 2HZ LYS 8 HZ3 LYS 8 10.051 -12.234 -2.488 76 3HZ LYS 8 HZ2 LYS 8 11.600 -11.802 -1.937 77 H THR 9 HN THR 9 8.530 -11.907 5.011 78 HA THR 9 HA THR 9 6.807 -14.115 4.631 79 HB THR 9 HB THR 9 7.884 -13.056 7.254 80 HG1 THR 9 HG1 THR 9 9.612 -13.486 6.023 81 1HG2 THR 9 HG21 THR 9 6.801 -15.759 6.420 82 2HG2 THR 9 HG23 THR 9 7.685 -15.475 7.920 83 3HG2 THR 9 HG22 THR 9 6.136 -14.679 7.645 84 H ALA 10 HN ALA 10 6.385 -11.243 6.691 85 HA ALA 10 HA ALA 10 3.717 -11.983 7.517 86 1HB ALA 10 HB3 ALA 10 5.288 -9.400 7.559 87 2HB ALA 10 HB2 ALA 10 3.587 -9.433 8.029 88 3HB ALA 10 HB1 ALA 10 4.768 -10.393 8.921 89 H PHE 11 HN PHE 11 5.062 -10.262 4.762 90 HA PHE 11 HA PHE 11 2.685 -9.017 3.806 91 1HB PHE 11 HB2 PHE 11 5.049 -8.757 2.878 92 2HB PHE 11 HB1 PHE 11 4.838 -10.308 2.093 93 HD1 PHE 11 HD1 PHE 11 3.058 -7.016 2.457 94 HD2 PHE 11 HD2 PHE 11 3.995 -10.355 -0.083 95 HE1 PHE 11 HE1 PHE 11 1.889 -5.916 0.570 96 HE2 PHE 11 HE2 PHE 11 2.830 -9.253 -1.967 97 HZ PHE 11 HZ PHE 11 1.777 -7.034 -1.639 98 H GLN 12 HN GLN 12 4.022 -12.263 3.258 99 HA GLN 12 HA GLN 12 1.929 -13.164 1.503 100 1HB GLN 12 HB2 GLN 12 3.742 -14.713 3.396 101 2HB GLN 12 HB1 GLN 12 2.751 -15.441 2.132 102 1HG GLN 12 HG2 GLN 12 4.913 -13.364 1.652 103 2HG GLN 12 HG1 GLN 12 5.115 -15.101 1.414 104 1HE2 GLN 12 HE22 GLN 12 2.706 -15.095 -1.384 105 2HE2 GLN 12 HE21 GLN 12 2.964 -15.973 0.046 106 H GLU 13 HN GLU 13 2.402 -13.349 5.019 107 HA GLU 13 HA GLU 13 0.037 -14.874 5.594 108 1HB GLU 13 HB2 GLU 13 1.592 -12.910 7.309 109 2HB GLU 13 HB1 GLU 13 0.355 -13.995 7.918 110 1HG GLU 13 HG2 GLU 13 2.860 -14.901 6.475 111 2HG GLU 13 HG1 GLU 13 2.660 -14.903 8.229 112 H ALA 14 HN ALA 14 0.617 -11.405 5.255 113 HA ALA 14 HA ALA 14 -1.961 -10.623 6.269 114 1HB ALA 14 HB1 ALA 14 0.008 -9.087 6.058 115 2HB ALA 14 HB3 ALA 14 -0.205 -9.118 4.308 116 3HB ALA 14 HB2 ALA 14 -1.466 -8.440 5.339 117 H LEU 15 HN LEU 15 -0.723 -11.309 3.006 118 HA LEU 15 HA LEU 15 -3.079 -10.580 1.590 119 1HB LEU 15 HB2 LEU 15 -0.955 -12.660 1.019 120 2HB LEU 15 HB1 LEU 15 -2.222 -12.236 -0.126 121 HG LEU 15 HG LEU 15 -0.351 -10.187 1.078 122 1HD1 LEU 15 HD12 LEU 15 -0.063 -11.869 -1.415 123 2HD1 LEU 15 HD11 LEU 15 0.783 -10.334 -1.207 124 3HD1 LEU 15 HD13 LEU 15 1.092 -11.669 -0.097 125 1HD2 LEU 15 HD22 LEU 15 -2.363 -10.202 -1.175 126 2HD2 LEU 15 HD21 LEU 15 -2.192 -9.045 0.140 127 3HD2 LEU 15 HD23 LEU 15 -1.030 -9.051 -1.181 128 H ASP 16 HN ASP 16 -2.072 -13.577 3.162 129 HA ASP 16 HA ASP 16 -4.341 -15.130 2.323 130 1HB ASP 16 HB2 ASP 16 -2.103 -15.981 3.245 131 2HB ASP 16 HB1 ASP 16 -2.733 -15.587 4.846 132 H ALA 17 HN ALA 17 -3.698 -13.066 5.127 133 HA ALA 17 HA ALA 17 -6.036 -13.846 6.618 134 1HB ALA 17 HB2 ALA 17 -4.113 -12.719 7.671 135 2HB ALA 17 HB1 ALA 17 -4.450 -11.266 6.733 136 3HB ALA 17 HB3 ALA 17 -5.602 -11.817 7.950 137 H ALA 18 HN ALA 18 -5.450 -11.333 4.196 138 HA ALA 18 HA ALA 18 -7.895 -9.896 4.557 139 1HB ALA 18 HB2 ALA 18 -6.108 -10.301 2.156 140 2HB ALA 18 HB1 ALA 18 -7.527 -9.256 2.114 141 3HB ALA 18 HB3 ALA 18 -6.198 -8.891 3.212 142 H GLY 19 HN GLY 19 -7.120 -12.826 2.759 143 1HA GLY 19 HA2 GLY 19 -8.551 -14.444 1.842 144 2HA GLY 19 HA1 GLY 19 -9.876 -13.664 2.706 145 H ASP 20 HN ASP 20 -11.444 -13.082 1.259 146 HA ASP 20 HA ASP 20 -10.684 -12.423 -1.520 147 1HB ASP 20 HB2 ASP 20 -13.411 -12.649 -0.219 148 2HB ASP 20 HB1 ASP 20 -13.099 -12.458 -1.944 149 H LYS 21 HN LYS 21 -10.767 -10.649 1.246 150 HA LYS 21 HA LYS 21 -12.299 -8.344 0.334 151 1HB LYS 21 HB2 LYS 21 -10.177 -8.584 2.495 152 2HB LYS 21 HB1 LYS 21 -11.187 -7.163 2.225 153 1HG LYS 21 HG2 LYS 21 -13.184 -8.839 2.470 154 2HG LYS 21 HG1 LYS 21 -11.989 -9.888 3.233 155 1HD LYS 21 HD2 LYS 21 -11.406 -7.942 4.759 156 2HD LYS 21 HD1 LYS 21 -12.823 -7.113 4.111 157 1HE LYS 21 HE2 LYS 21 -14.179 -9.160 4.769 158 2HE LYS 21 HE1 LYS 21 -12.753 -9.719 5.643 159 1HZ LYS 21 HZ2 LYS 21 -13.496 -6.978 6.170 160 2HZ LYS 21 HZ1 LYS 21 -14.639 -8.124 6.688 161 3HZ LYS 21 HZ3 LYS 21 -13.040 -8.208 7.249 162 H LEU 22 HN LEU 22 -11.404 -6.346 -0.462 163 HA LEU 22 HA LEU 22 -9.243 -6.595 -2.292 164 1HB LEU 22 HB2 LEU 22 -11.209 -4.718 -1.775 165 2HB LEU 22 HB1 LEU 22 -9.781 -3.882 -1.199 166 HG LEU 22 HG LEU 22 -10.216 -4.994 -3.972 167 1HD1 LEU 22 HD13 LEU 22 -10.652 -2.372 -2.708 168 2HD1 LEU 22 HD12 LEU 22 -9.575 -2.263 -4.092 169 3HD1 LEU 22 HD11 LEU 22 -11.176 -2.966 -4.279 170 1HD2 LEU 22 HD21 LEU 22 -7.769 -3.831 -2.629 171 2HD2 LEU 22 HD23 LEU 22 -7.889 -5.289 -3.616 172 3HD2 LEU 22 HD22 LEU 22 -7.989 -3.703 -4.370 173 H VAL 23 HN VAL 23 -7.081 -5.505 -2.067 174 HA VAL 23 HA VAL 23 -6.227 -4.945 0.710 175 HB VAL 23 HB VAL 23 -4.913 -7.000 -1.092 176 1HG1 VAL 23 HG12 VAL 23 -4.115 -5.736 1.529 177 2HG1 VAL 23 HG11 VAL 23 -3.478 -7.297 1.019 178 3HG1 VAL 23 HG13 VAL 23 -3.172 -5.860 0.046 179 1HG2 VAL 23 HG21 VAL 23 -6.427 -7.216 1.520 180 2HG2 VAL 23 HG23 VAL 23 -6.839 -7.967 -0.022 181 3HG2 VAL 23 HG22 VAL 23 -5.416 -8.505 0.869 182 H VAL 24 HN VAL 24 -5.175 -3.046 0.580 183 HA VAL 24 HA VAL 24 -3.765 -2.372 -1.976 184 HB VAL 24 HB VAL 24 -4.612 -0.468 0.236 185 1HG1 VAL 24 HG12 VAL 24 -2.768 0.224 -1.335 186 2HG1 VAL 24 HG11 VAL 24 -3.901 0.029 -2.672 187 3HG1 VAL 24 HG13 VAL 24 -4.202 1.247 -1.430 188 1HG2 VAL 24 HG21 VAL 24 -6.022 -1.219 -2.342 189 2HG2 VAL 24 HG23 VAL 24 -6.613 -1.503 -0.707 190 3HG2 VAL 24 HG22 VAL 24 -6.469 0.144 -1.318 191 H VAL 25 HN VAL 25 -1.558 -1.802 -1.846 192 HA VAL 25 HA VAL 25 -0.273 -2.051 0.864 193 HB VAL 25 HB VAL 25 0.897 -2.941 -1.789 194 1HG1 VAL 25 HG12 VAL 25 2.491 -2.241 0.034 195 2HG1 VAL 25 HG11 VAL 25 1.789 -3.505 1.044 196 3HG1 VAL 25 HG13 VAL 25 2.642 -3.933 -0.437 197 1HG2 VAL 25 HG21 VAL 25 -1.088 -4.303 -0.960 198 2HG2 VAL 25 HG23 VAL 25 0.418 -5.198 -1.149 199 3HG2 VAL 25 HG22 VAL 25 -0.114 -4.697 0.455 200 H ASP 26 HN ASP 26 0.627 -0.152 1.407 201 HA ASP 26 HA ASP 26 1.431 1.759 -0.747 202 1HB ASP 26 HB2 ASP 26 -0.020 2.622 1.039 203 2HB ASP 26 HB1 ASP 26 1.173 2.161 2.254 204 H PHE 27 HN PHE 27 3.516 1.784 -1.328 205 HA PHE 27 HA PHE 27 5.600 0.630 0.457 206 1HB PHE 27 HB2 PHE 27 5.521 1.342 -2.481 207 2HB PHE 27 HB1 PHE 27 7.030 0.935 -1.656 208 HD1 PHE 27 HD1 PHE 27 7.264 -1.288 -0.527 209 HD2 PHE 27 HD2 PHE 27 3.959 -0.354 -3.106 210 HE1 PHE 27 HE1 PHE 27 6.779 -3.706 -0.778 211 HE2 PHE 27 HE2 PHE 27 3.471 -2.770 -3.342 212 HZ PHE 27 HZ PHE 27 4.877 -4.447 -2.187 213 H SER 28 HN SER 28 4.336 3.377 0.748 214 HA SER 28 HA SER 28 6.126 5.390 -0.089 215 1HB SER 28 HB2 SER 28 4.522 5.280 2.480 216 2HB SER 28 HB1 SER 28 5.224 6.728 1.772 217 HG SER 28 HG SER 28 2.887 6.014 1.299 218 H ALA 29 HN ALA 29 7.992 6.249 0.745 219 HA ALA 29 HA ALA 29 9.523 4.534 2.568 220 1HB ALA 29 HB3 ALA 29 10.079 6.894 0.816 221 2HB ALA 29 HB2 ALA 29 11.121 6.713 2.227 222 3HB ALA 29 HB1 ALA 29 11.022 5.422 1.029 223 H THR 30 HN THR 30 9.519 4.836 4.745 224 HA THR 30 HA THR 30 7.958 6.946 5.928 225 HB THR 30 HB THR 30 8.322 4.787 7.071 226 HG1 THR 30 HG1 THR 30 8.817 5.661 9.089 227 1HG2 THR 30 HG22 THR 30 10.731 4.611 6.197 228 2HG2 THR 30 HG21 THR 30 11.172 5.657 7.546 229 3HG2 THR 30 HG23 THR 30 10.450 4.080 7.854 230 H TRP 31 HN TRP 31 11.380 6.505 5.191 231 HA TRP 31 HA TRP 31 12.322 8.805 6.677 232 1HB TRP 31 HB2 TRP 31 14.373 8.550 5.356 233 2HB TRP 31 HB1 TRP 31 13.823 6.991 5.965 234 HD1 TRP 31 HD1 TRP 31 13.019 5.208 4.249 235 HE1 TRP 31 HE1 TRP 31 13.168 5.025 1.688 236 HE3 TRP 31 HE3 TRP 31 14.186 10.042 3.095 237 HZ2 TRP 31 HZ2 TRP 31 13.674 6.719 -0.560 238 HZ3 TRP 31 HZ3 TRP 31 14.476 10.731 0.736 239 HH2 TRP 31 HH2 TRP 31 14.223 9.079 -1.093 240 H CYS 32 HN CYS 32 10.833 8.431 3.535 241 HA CYS 32 HA CYS 32 11.752 11.073 2.614 242 1HB CYS 32 HB2 CYS 32 11.199 8.966 1.153 243 2HB CYS 32 HB1 CYS 32 9.526 9.461 1.361 244 H GLY 33 HN GLY 33 10.762 12.907 3.233 245 1HA GLY 33 HA2 GLY 33 8.497 12.889 4.979 246 2HA GLY 33 HA1 GLY 33 9.192 14.327 4.235 247 HA PRO 34 HA PRO 34 6.060 14.733 1.160 248 1HB PRO 34 HB2 PRO 34 7.483 13.229 -0.990 249 2HB PRO 34 HB1 PRO 34 6.880 14.894 -0.991 250 1HG PRO 34 HG2 PRO 34 9.529 14.307 -0.807 251 2HG PRO 34 HG1 PRO 34 8.819 15.741 -0.048 252 1HD PRO 34 HD2 PRO 34 9.777 13.224 1.227 253 2HD PRO 34 HD1 PRO 34 9.648 14.859 1.927 254 H ALA 35 HN ALA 35 7.473 11.486 1.173 255 HA ALA 35 HA ALA 35 5.062 10.187 0.191 256 1HB ALA 35 HB1 ALA 35 7.561 9.387 0.127 257 2HB ALA 35 HB3 ALA 35 7.205 8.743 1.728 258 3HB ALA 35 HB2 ALA 35 6.277 8.200 0.329 259 H LYS 36 HN LYS 36 6.661 10.238 3.413 260 HA LYS 36 HA LYS 36 4.566 8.868 4.778 261 1HB LYS 36 HB2 LYS 36 6.864 9.319 5.715 262 2HB LYS 36 HB1 LYS 36 6.368 10.993 5.972 263 1HG LYS 36 HG2 LYS 36 4.438 10.147 7.347 264 2HG LYS 36 HG1 LYS 36 5.103 8.522 7.196 265 1HD LYS 36 HD2 LYS 36 7.208 9.299 8.271 266 2HD LYS 36 HD1 LYS 36 6.503 10.905 8.461 267 1HE LYS 36 HE2 LYS 36 4.713 9.980 9.863 268 2HE LYS 36 HE1 LYS 36 5.357 8.354 9.634 269 1HZ LYS 36 HZ3 LYS 36 7.107 10.465 10.702 270 2HZ LYS 36 HZ2 LYS 36 5.988 9.712 11.736 271 3HZ LYS 36 HZ1 LYS 36 7.176 8.788 10.946 272 H MET 37 HN MET 37 5.015 12.293 4.040 273 HA MET 37 HA MET 37 2.944 13.356 5.666 274 1HB MET 37 HB2 MET 37 4.691 14.659 4.390 275 2HB MET 37 HB1 MET 37 3.769 14.349 2.922 276 1HG MET 37 HG2 MET 37 2.489 15.619 5.344 277 2HG MET 37 HG1 MET 37 3.333 16.583 4.135 278 1HE MET 37 HE3 MET 37 0.877 17.495 4.667 279 2HE MET 37 HE2 MET 37 1.282 18.003 3.030 280 3HE MET 37 HE1 MET 37 -0.320 17.354 3.373 281 H ILE 38 HN ILE 38 2.845 11.745 2.564 282 HA ILE 38 HA ILE 38 0.062 12.428 2.018 283 HB ILE 38 HB ILE 38 1.963 10.440 0.743 284 1HG1 ILE 38 HG12 ILE 38 0.950 13.053 -0.390 285 2HG1 ILE 38 HG11 ILE 38 2.384 12.993 0.631 286 1HG2 ILE 38 HG23 ILE 38 -0.894 11.183 0.138 287 2HG2 ILE 38 HG22 ILE 38 0.191 10.736 -1.180 288 3HG2 ILE 38 HG21 ILE 38 -0.127 9.595 0.125 289 1HD1 ILE 38 HD13 ILE 38 3.374 11.317 -0.906 290 2HD1 ILE 38 HD12 ILE 38 1.965 11.470 -1.949 291 3HD1 ILE 38 HD11 ILE 38 3.043 12.848 -1.708 292 H LYS 39 HN LYS 39 1.456 10.218 4.160 293 HA LYS 39 HA LYS 39 -0.160 7.953 3.610 294 1HB LYS 39 HB2 LYS 39 0.551 6.955 5.582 295 2HB LYS 39 HB1 LYS 39 1.896 7.987 5.131 296 1HG LYS 39 HG2 LYS 39 1.203 9.665 6.786 297 2HG LYS 39 HG1 LYS 39 -0.210 8.711 7.212 298 1HD LYS 39 HD2 LYS 39 2.701 7.989 7.651 299 2HD LYS 39 HD1 LYS 39 1.489 8.336 8.881 300 1HE LYS 39 HE2 LYS 39 0.203 6.311 7.804 301 2HE LYS 39 HE1 LYS 39 1.794 5.879 7.174 302 1HZ LYS 39 HZ3 LYS 39 1.596 6.571 10.006 303 2HZ LYS 39 HZ2 LYS 39 0.981 5.064 9.520 304 3HZ LYS 39 HZ1 LYS 39 2.609 5.455 9.230 305 HA PRO 40 HA PRO 40 -3.164 9.781 7.048 306 1HB PRO 40 HB2 PRO 40 -3.680 12.356 5.637 307 2HB PRO 40 HB1 PRO 40 -3.555 12.027 7.375 308 1HG PRO 40 HG2 PRO 40 -1.604 13.322 6.064 309 2HG PRO 40 HG1 PRO 40 -1.235 12.188 7.372 310 1HD PRO 40 HD2 PRO 40 -0.984 11.806 4.424 311 2HD PRO 40 HD1 PRO 40 0.070 11.189 5.711 312 H PHE 41 HN PHE 41 -3.435 10.674 3.566 313 HA PHE 41 HA PHE 41 -6.280 10.154 3.518 314 1HB PHE 41 HB2 PHE 41 -4.193 10.136 1.316 315 2HB PHE 41 HB1 PHE 41 -5.915 9.930 1.036 316 HD1 PHE 41 HD2 PHE 41 -3.489 12.242 2.681 317 HD2 PHE 41 HD1 PHE 41 -7.284 11.799 0.720 318 HE1 PHE 41 HE2 PHE 41 -3.795 14.704 2.721 319 HE2 PHE 41 HE1 PHE 41 -7.590 14.263 0.759 320 HZ PHE 41 HZ PHE 41 -5.844 15.713 1.757 321 H PHE 42 HN PHE 42 -3.415 8.234 2.709 322 HA PHE 42 HA PHE 42 -4.758 5.852 1.915 323 1HB PHE 42 HB2 PHE 42 -2.405 6.221 1.461 324 2HB PHE 42 HB1 PHE 42 -2.038 6.299 3.188 325 HD1 PHE 42 HD1 PHE 42 -3.279 4.051 0.480 326 HD2 PHE 42 HD2 PHE 42 -1.701 4.338 4.465 327 HE1 PHE 42 HE1 PHE 42 -3.017 1.586 0.557 328 HE2 PHE 42 HE2 PHE 42 -1.436 1.875 4.542 329 HZ PHE 42 HZ PHE 42 -2.099 0.496 2.589 330 H HIS 43 HN HIS 43 -3.322 6.661 5.080 331 HA HIS 43 HA HIS 43 -4.358 4.351 6.428 332 1HB HIS 43 HB2 HIS 43 -2.396 5.597 7.229 333 2HB HIS 43 HB1 HIS 43 -3.396 7.020 7.514 334 HD1 HIS 43 HD1 HIS 43 -2.457 3.728 8.991 335 HD2 HIS 43 HD2 HIS 43 -5.201 6.771 9.714 336 HE1 HIS 43 HE1 HIS 43 -3.454 3.263 11.274 337 H SER 44 HN SER 44 -5.565 7.703 6.169 338 HA SER 44 HA SER 44 -7.714 7.429 8.020 339 1HB SER 44 HB2 SER 44 -7.537 9.204 5.577 340 2HB SER 44 HB1 SER 44 -8.724 9.369 6.866 341 HG SER 44 HG SER 44 -7.203 10.594 7.695 342 H LEU 45 HN LEU 45 -7.514 6.661 4.568 343 HA LEU 45 HA LEU 45 -10.300 6.227 4.146 344 1HB LEU 45 HB2 LEU 45 -7.855 5.127 2.771 345 2HB LEU 45 HB1 LEU 45 -9.479 4.727 2.237 346 HG LEU 45 HG LEU 45 -8.646 7.609 2.625 347 1HD1 LEU 45 HD11 LEU 45 -7.003 6.568 1.093 348 2HD1 LEU 45 HD13 LEU 45 -8.324 5.965 0.092 349 3HD1 LEU 45 HD12 LEU 45 -8.050 7.701 0.239 350 1HD2 LEU 45 HD23 LEU 45 -10.838 6.153 1.134 351 2HD2 LEU 45 HD22 LEU 45 -10.977 7.461 2.308 352 3HD2 LEU 45 HD21 LEU 45 -10.375 7.793 0.687 353 H SER 46 HN SER 46 -7.949 4.353 5.833 354 HA SER 46 HA SER 46 -8.942 1.742 5.496 355 1HB SER 46 HB2 SER 46 -7.960 3.014 8.072 356 2HB SER 46 HB1 SER 46 -8.083 1.286 7.767 357 HG SER 46 HG SER 46 -6.757 2.458 5.759 358 H GLU 47 HN GLU 47 -10.127 4.386 7.540 359 HA GLU 47 HA GLU 47 -12.338 2.755 8.582 360 1HB GLU 47 HB2 GLU 47 -11.639 5.702 8.820 361 2HB GLU 47 HB1 GLU 47 -13.040 4.962 9.597 362 1HG GLU 47 HG2 GLU 47 -11.286 4.958 11.233 363 2HG GLU 47 HG1 GLU 47 -11.424 3.296 10.652 364 H LYS 48 HN LYS 48 -11.736 4.684 5.766 365 HA LYS 48 HA LYS 48 -14.531 5.424 5.299 366 1HB LYS 48 HB2 LYS 48 -12.607 6.706 4.298 367 2HB LYS 48 HB1 LYS 48 -12.236 5.294 3.313 368 1HG LYS 48 HG2 LYS 48 -13.528 6.777 1.933 369 2HG LYS 48 HG1 LYS 48 -14.581 5.435 2.368 370 1HD LYS 48 HD2 LYS 48 -15.812 6.741 3.903 371 2HD LYS 48 HD1 LYS 48 -14.549 7.968 4.014 372 1HE LYS 48 HE2 LYS 48 -15.011 8.693 1.721 373 2HE LYS 48 HE1 LYS 48 -16.201 7.405 1.526 374 1HZ LYS 48 HZ3 LYS 48 -16.914 8.751 3.826 375 2HZ LYS 48 HZ2 LYS 48 -16.516 9.967 2.707 376 3HZ LYS 48 HZ1 LYS 48 -17.701 8.811 2.324 377 H TYR 49 HN TYR 49 -12.287 2.912 4.301 378 HA TYR 49 HA TYR 49 -14.606 1.297 3.258 379 1HB TYR 49 HB2 TYR 49 -11.731 1.341 2.255 380 2HB TYR 49 HB1 TYR 49 -12.977 0.218 1.709 381 HD1 TYR 49 HD2 TYR 49 -15.111 1.172 0.695 382 HD2 TYR 49 HD1 TYR 49 -11.560 3.511 1.299 383 HE1 TYR 49 HE2 TYR 49 -15.939 2.848 -0.933 384 HE2 TYR 49 HE1 TYR 49 -12.387 5.185 -0.335 385 HH TYR 49 HH TYR 49 -15.083 5.775 -1.153 386 H SER 50 HN SER 50 -14.479 0.880 5.708 387 HA SER 50 HA SER 50 -12.333 -0.602 6.847 388 1HB SER 50 HB2 SER 50 -13.837 -1.055 8.640 389 2HB SER 50 HB1 SER 50 -14.291 0.531 8.035 390 HG SER 50 HG SER 50 -15.529 -1.966 7.556 391 H ASN 51 HN ASN 51 -14.487 -1.420 4.399 392 HA ASN 51 HA ASN 51 -14.493 -4.319 4.995 393 1HB ASN 51 HB2 ASN 51 -16.487 -3.128 3.962 394 2HB ASN 51 HB1 ASN 51 -15.508 -2.920 2.509 395 1HD2 ASN 51 HD22 ASN 51 -16.093 -6.203 1.380 396 2HD2 ASN 51 HD21 ASN 51 -15.537 -4.636 1.032 397 H VAL 52 HN VAL 52 -12.251 -2.270 4.001 398 HA VAL 52 HA VAL 52 -11.012 -4.192 2.075 399 HB VAL 52 HB VAL 52 -10.944 -1.161 2.098 400 1HG1 VAL 52 HG12 VAL 52 -9.091 -3.172 0.866 401 2HG1 VAL 52 HG11 VAL 52 -9.499 -1.742 -0.085 402 3HG1 VAL 52 HG13 VAL 52 -8.746 -1.567 1.498 403 1HG2 VAL 52 HG22 VAL 52 -11.926 -3.237 0.118 404 2HG2 VAL 52 HG21 VAL 52 -12.889 -2.029 0.974 405 3HG2 VAL 52 HG23 VAL 52 -11.745 -1.526 -0.272 406 H ILE 53 HN ILE 53 -8.775 -4.611 2.473 407 HA ILE 53 HA ILE 53 -7.856 -3.736 5.192 408 HB ILE 53 HB ILE 53 -6.611 -5.822 3.381 409 1HG1 ILE 53 HG12 ILE 53 -8.913 -6.502 3.726 410 2HG1 ILE 53 HG11 ILE 53 -7.894 -7.476 4.781 411 1HG2 ILE 53 HG23 ILE 53 -5.456 -4.763 5.500 412 2HG2 ILE 53 HG22 ILE 53 -6.560 -5.796 6.397 413 3HG2 ILE 53 HG21 ILE 53 -5.410 -6.508 5.270 414 1HD1 ILE 53 HD13 ILE 53 -8.389 -5.719 6.599 415 2HD1 ILE 53 HD12 ILE 53 -9.670 -5.148 5.530 416 3HD1 ILE 53 HD11 ILE 53 -9.710 -6.797 6.149 417 H PHE 54 HN PHE 54 -6.361 -2.104 5.290 418 HA PHE 54 HA PHE 54 -4.764 -1.454 2.833 419 1HB PHE 54 HB2 PHE 54 -5.360 0.142 5.344 420 2HB PHE 54 HB1 PHE 54 -4.289 0.693 4.057 421 HD1 PHE 54 HD1 PHE 54 -7.778 -0.516 4.678 422 HD2 PHE 54 HD2 PHE 54 -5.178 1.816 2.183 423 HE1 PHE 54 HE1 PHE 54 -9.740 0.340 3.424 424 HE2 PHE 54 HE2 PHE 54 -7.138 2.665 0.926 425 HZ PHE 54 HZ PHE 54 -9.418 1.922 1.547 426 H LEU 55 HN LEU 55 -2.607 -1.970 2.817 427 HA LEU 55 HA LEU 55 -1.253 -2.588 5.426 428 1HB LEU 55 HB2 LEU 55 -0.654 -3.625 2.638 429 2HB LEU 55 HB1 LEU 55 0.433 -3.850 4.008 430 HG LEU 55 HG LEU 55 -1.261 -5.140 5.192 431 1HD1 LEU 55 HD11 LEU 55 -3.045 -4.206 2.963 432 2HD1 LEU 55 HD13 LEU 55 -3.372 -5.759 3.737 433 3HD1 LEU 55 HD12 LEU 55 -3.352 -4.294 4.699 434 1HD2 LEU 55 HD21 LEU 55 -0.833 -5.946 2.308 435 2HD2 LEU 55 HD23 LEU 55 0.091 -6.451 3.721 436 3HD2 LEU 55 HD22 LEU 55 -1.562 -7.017 3.503 437 H GLU 56 HN GLU 56 0.626 -1.559 5.924 438 HA GLU 56 HA GLU 56 1.582 0.556 4.021 439 1HB GLU 56 HB2 GLU 56 0.678 1.315 6.276 440 2HB GLU 56 HB1 GLU 56 2.026 0.456 7.023 441 1HG GLU 56 HG2 GLU 56 3.572 1.809 5.514 442 2HG GLU 56 HG1 GLU 56 2.166 2.789 5.092 443 H VAL 57 HN VAL 57 3.628 0.270 3.254 444 HA VAL 57 HA VAL 57 5.381 -1.762 4.606 445 HB VAL 57 HB VAL 57 5.029 -1.302 1.632 446 1HG1 VAL 57 HG12 VAL 57 6.631 -3.302 3.237 447 2HG1 VAL 57 HG11 VAL 57 6.374 -3.402 1.498 448 3HG1 VAL 57 HG13 VAL 57 7.280 -2.048 2.177 449 1HG2 VAL 57 HG21 VAL 57 4.093 -3.517 3.476 450 2HG2 VAL 57 HG23 VAL 57 3.068 -2.375 2.607 451 3HG2 VAL 57 HG22 VAL 57 4.005 -3.575 1.715 452 H ASP 58 HN ASP 58 7.482 -1.144 4.908 453 HA ASP 58 HA ASP 58 8.314 1.578 4.008 454 1HB ASP 58 HB2 ASP 58 8.465 0.842 6.441 455 2HB ASP 58 HB1 ASP 58 9.718 -0.290 5.916 456 H VAL 59 HN VAL 59 9.598 1.646 2.175 457 HA VAL 59 HA VAL 59 10.717 -0.778 1.053 458 HB VAL 59 HB VAL 59 11.934 0.758 -0.484 459 1HG1 VAL 59 HG12 VAL 59 9.031 1.403 0.086 460 2HG1 VAL 59 HG11 VAL 59 9.883 1.937 -1.362 461 3HG1 VAL 59 HG13 VAL 59 9.655 0.215 -1.059 462 1HG2 VAL 59 HG23 VAL 59 10.760 2.925 1.285 463 2HG2 VAL 59 HG22 VAL 59 12.471 2.536 1.119 464 3HG2 VAL 59 HG21 VAL 59 11.582 3.198 -0.253 465 H ASP 60 HN ASP 60 11.726 1.397 3.532 466 HA ASP 60 HA ASP 60 14.575 0.580 3.306 467 1HB ASP 60 HB2 ASP 60 13.041 2.589 4.937 468 2HB ASP 60 HB1 ASP 60 14.672 2.137 5.394 469 H ASP 61 HN ASP 61 11.904 0.241 5.712 470 HA ASP 61 HA ASP 61 13.640 -1.624 7.269 471 1HB ASP 61 HB2 ASP 61 10.819 -0.648 7.848 472 2HB ASP 61 HB1 ASP 61 11.815 -1.624 8.918 473 H ALA 62 HN ALA 62 11.313 -1.631 4.826 474 HA ALA 62 HA ALA 62 10.860 -4.570 5.161 475 1HB ALA 62 HB3 ALA 62 8.878 -2.731 5.406 476 2HB ALA 62 HB2 ALA 62 8.845 -2.959 3.659 477 3HB ALA 62 HB1 ALA 62 8.602 -4.336 4.731 478 H GLN 63 HN GLN 63 13.005 -3.324 3.826 479 HA GLN 63 HA GLN 63 12.626 -2.886 1.055 480 1HB GLN 63 HB2 GLN 63 15.034 -3.230 0.864 481 2HB GLN 63 HB1 GLN 63 14.695 -2.338 2.347 482 1HG GLN 63 HG2 GLN 63 14.711 -4.550 3.570 483 2HG GLN 63 HG1 GLN 63 15.320 -5.287 2.087 484 1HE2 GLN 63 HE22 GLN 63 18.243 -4.230 4.212 485 2HE2 GLN 63 HE21 GLN 63 16.911 -5.252 4.475 486 H ASP 64 HN ASP 64 12.696 -5.854 2.887 487 HA ASP 64 HA ASP 64 13.350 -7.607 0.714 488 1HB ASP 64 HB2 ASP 64 12.192 -9.345 2.154 489 2HB ASP 64 HB1 ASP 64 13.486 -8.462 2.953 490 H VAL 65 HN VAL 65 10.311 -6.249 1.928 491 HA VAL 65 HA VAL 65 8.602 -7.765 0.178 492 HB VAL 65 HB VAL 65 8.047 -5.009 1.309 493 1HG1 VAL 65 HG11 VAL 65 6.470 -5.994 -0.377 494 2HG1 VAL 65 HG13 VAL 65 6.200 -7.338 0.733 495 3HG1 VAL 65 HG12 VAL 65 5.731 -5.703 1.198 496 1HG2 VAL 65 HG21 VAL 65 8.116 -7.695 2.656 497 2HG2 VAL 65 HG23 VAL 65 8.656 -6.136 3.261 498 3HG2 VAL 65 HG22 VAL 65 6.935 -6.501 3.179 499 H ALA 66 HN ALA 66 10.032 -4.514 0.006 500 HA ALA 66 HA ALA 66 8.831 -3.898 -2.548 501 1HB ALA 66 HB2 ALA 66 9.723 -2.303 -0.700 502 2HB ALA 66 HB1 ALA 66 11.285 -2.523 -1.490 503 3HB ALA 66 HB3 ALA 66 9.925 -1.847 -2.389 504 H SER 67 HN SER 67 11.998 -5.201 -1.584 505 HA SER 67 HA SER 67 13.288 -4.916 -4.108 506 1HB SER 67 HB2 SER 67 14.814 -6.660 -3.332 507 2HB SER 67 HB1 SER 67 14.426 -5.596 -1.981 508 HG SER 67 HG SER 67 12.765 -7.789 -2.426 509 H GLU 68 HN GLU 68 11.116 -7.421 -2.865 510 HA GLU 68 HA GLU 68 11.394 -9.260 -5.039 511 1HB GLU 68 HB2 GLU 68 10.264 -9.708 -2.818 512 2HB GLU 68 HB1 GLU 68 8.895 -8.763 -3.395 513 1HG GLU 68 HG2 GLU 68 9.991 -11.122 -4.941 514 2HG GLU 68 HG1 GLU 68 8.740 -11.303 -3.712 515 H ALA 69 HN ALA 69 9.314 -6.443 -4.537 516 HA ALA 69 HA ALA 69 7.912 -6.873 -7.078 517 1HB ALA 69 HB2 ALA 69 7.799 -4.732 -4.952 518 2HB ALA 69 HB1 ALA 69 6.911 -4.591 -6.469 519 3HB ALA 69 HB3 ALA 69 6.565 -5.923 -5.367 520 H GLU 70 HN GLU 70 10.904 -5.629 -6.281 521 HA GLU 70 HA GLU 70 12.400 -4.228 -7.423 522 1HB GLU 70 HB2 GLU 70 10.542 -4.980 -9.704 523 2HB GLU 70 HB1 GLU 70 12.050 -4.098 -9.915 524 1HG GLU 70 HG2 GLU 70 12.558 -6.396 -10.310 525 2HG GLU 70 HG1 GLU 70 13.206 -6.011 -8.715 526 H VAL 71 HN VAL 71 10.590 -2.770 -5.941 527 HA VAL 71 HA VAL 71 9.030 -0.923 -7.481 528 HB VAL 71 HB VAL 71 10.336 -0.415 -4.787 529 1HG1 VAL 71 HG13 VAL 71 7.970 0.801 -6.249 530 2HG1 VAL 71 HG12 VAL 71 8.331 1.106 -4.551 531 3HG1 VAL 71 HG11 VAL 71 9.473 1.609 -5.801 532 1HG2 VAL 71 HG23 VAL 71 7.750 -1.802 -5.566 533 2HG2 VAL 71 HG22 VAL 71 9.045 -2.425 -4.545 534 3HG2 VAL 71 HG21 VAL 71 8.006 -1.126 -3.956 535 H LYS 72 HN LYS 72 9.654 0.855 -8.611 536 HA LYS 72 HA LYS 72 12.545 1.542 -8.618 537 1HB LYS 72 HB2 LYS 72 10.355 2.159 -10.610 538 2HB LYS 72 HB1 LYS 72 12.051 2.609 -10.793 539 1HG LYS 72 HG2 LYS 72 12.545 0.076 -10.473 540 2HG LYS 72 HG1 LYS 72 10.830 -0.156 -10.810 541 1HD LYS 72 HD2 LYS 72 11.078 1.030 -12.954 542 2HD LYS 72 HD1 LYS 72 12.790 1.288 -12.620 543 1HE LYS 72 HE2 LYS 72 12.523 -0.653 -14.088 544 2HE LYS 72 HE1 LYS 72 13.115 -1.177 -12.512 545 1HZ LYS 72 HZ2 LYS 72 10.265 -1.070 -12.603 546 2HZ LYS 72 HZ1 LYS 72 10.886 -2.108 -13.796 547 3HZ LYS 72 HZ3 LYS 72 11.282 -2.359 -12.167 548 H ALA 73 HN ALA 73 9.551 2.776 -7.479 549 HA ALA 73 HA ALA 73 10.864 5.262 -6.678 550 1HB ALA 73 HB1 ALA 73 9.196 5.156 -9.080 551 2HB ALA 73 HB3 ALA 73 8.591 6.339 -7.918 552 3HB ALA 73 HB2 ALA 73 10.247 6.457 -8.516 553 H THR 74 HN THR 74 9.573 6.511 -5.169 554 HA THR 74 HA THR 74 7.143 5.099 -4.129 555 HB THR 74 HB THR 74 7.871 5.522 -1.850 556 HG1 THR 74 HG1 THR 74 10.299 6.509 -2.254 557 1HG2 THR 74 HG21 THR 74 10.190 4.521 -3.503 558 2HG2 THR 74 HG23 THR 74 10.043 4.338 -1.756 559 3HG2 THR 74 HG22 THR 74 8.890 3.541 -2.828 560 HA PRO 75 HA PRO 75 5.727 5.706 -2.372 561 1HB PRO 75 HB2 PRO 75 3.130 6.640 -2.433 562 2HB PRO 75 HB1 PRO 75 4.331 7.126 -1.231 563 1HG PRO 75 HG2 PRO 75 3.279 8.657 -3.553 564 2HG PRO 75 HG1 PRO 75 3.945 9.248 -2.023 565 1HD PRO 75 HD2 PRO 75 5.298 9.189 -4.519 566 2HD PRO 75 HD1 PRO 75 6.053 9.466 -2.926 567 H THR 76 HN THR 76 4.867 3.826 -3.149 568 HA THR 76 HA THR 76 3.449 3.881 -5.791 569 HB THR 76 HB THR 76 5.397 1.767 -4.825 570 HG1 THR 76 HG1 THR 76 5.532 3.798 -6.778 571 1HG2 THR 76 HG21 THR 76 3.653 2.017 -7.274 572 2HG2 THR 76 HG23 THR 76 5.060 0.955 -7.226 573 3HG2 THR 76 HG22 THR 76 3.713 0.685 -6.120 574 H PHE 77 HN PHE 77 1.531 2.863 -5.745 575 HA PHE 77 HA PHE 77 0.797 1.349 -3.261 576 1HB PHE 77 HB2 PHE 77 -0.993 2.767 -5.265 577 2HB PHE 77 HB1 PHE 77 -1.517 1.974 -3.777 578 HD1 PHE 77 HD1 PHE 77 -0.951 2.942 -1.558 579 HD2 PHE 77 HD2 PHE 77 0.132 4.895 -5.230 580 HE1 PHE 77 HE1 PHE 77 -0.499 5.042 -0.310 581 HE2 PHE 77 HE2 PHE 77 0.586 6.994 -3.982 582 HZ PHE 77 HZ PHE 77 0.270 7.072 -1.522 583 H GLN 78 HN GLN 78 0.254 -0.789 -3.523 584 HA GLN 78 HA GLN 78 -0.236 -1.769 -6.320 585 1HB GLN 78 HB2 GLN 78 1.295 -3.092 -4.079 586 2HB GLN 78 HB1 GLN 78 0.781 -3.934 -5.542 587 1HG GLN 78 HG2 GLN 78 2.007 -2.233 -6.898 588 2HG GLN 78 HG1 GLN 78 2.598 -1.509 -5.405 589 1HE2 GLN 78 HE22 GLN 78 5.291 -3.795 -6.351 590 2HE2 GLN 78 HE21 GLN 78 4.677 -2.284 -6.819 591 H PHE 79 HN PHE 79 -1.888 -3.177 -6.576 592 HA PHE 79 HA PHE 79 -3.687 -3.527 -4.204 593 1HB PHE 79 HB2 PHE 79 -4.245 -3.435 -7.180 594 2HB PHE 79 HB1 PHE 79 -5.464 -3.779 -5.946 595 HD1 PHE 79 HD2 PHE 79 -3.065 -1.248 -7.200 596 HD2 PHE 79 HD1 PHE 79 -6.308 -2.050 -4.507 597 HE1 PHE 79 HE2 PHE 79 -3.253 1.171 -6.703 598 HE2 PHE 79 HE1 PHE 79 -6.488 0.363 -4.008 599 HZ PHE 79 HZ PHE 79 -4.975 1.975 -5.106 600 H PHE 80 HN PHE 80 -4.168 -5.497 -3.519 601 HA PHE 80 HA PHE 80 -3.527 -7.841 -5.244 602 1HB PHE 80 HB2 PHE 80 -2.981 -7.483 -2.295 603 2HB PHE 80 HB1 PHE 80 -2.942 -9.044 -3.107 604 HD1 PHE 80 HD2 PHE 80 -1.291 -5.734 -2.824 605 HD2 PHE 80 HD1 PHE 80 -1.193 -9.628 -4.653 606 HE1 PHE 80 HE2 PHE 80 1.046 -5.346 -3.551 607 HE2 PHE 80 HE1 PHE 80 1.148 -9.229 -5.377 608 HZ PHE 80 HZ PHE 80 2.265 -7.087 -4.824 609 H LYS 81 HN LYS 81 -4.967 -9.583 -5.071 610 HA LYS 81 HA LYS 81 -7.225 -9.371 -3.174 611 1HB LYS 81 HB2 LYS 81 -7.725 -8.109 -5.397 612 2HB LYS 81 HB1 LYS 81 -7.799 -9.712 -6.125 613 1HG LYS 81 HG2 LYS 81 -9.511 -10.355 -4.426 614 2HG LYS 81 HG1 LYS 81 -9.482 -8.703 -3.815 615 1HD LYS 81 HD2 LYS 81 -10.033 -7.948 -6.185 616 2HD LYS 81 HD1 LYS 81 -10.351 -9.645 -6.555 617 1HE LYS 81 HE2 LYS 81 -12.053 -9.734 -4.791 618 2HE LYS 81 HE1 LYS 81 -11.707 -8.062 -4.352 619 1HZ LYS 81 HZ3 LYS 81 -12.193 -8.146 -7.099 620 2HZ LYS 81 HZ2 LYS 81 -13.437 -9.020 -6.340 621 3HZ LYS 81 HZ1 LYS 81 -13.130 -7.409 -5.893 622 H LYS 82 HN LYS 82 -7.568 -11.400 -2.423 623 HA LYS 82 HA LYS 82 -7.473 -13.730 -2.231 624 1HB LYS 82 HB2 LYS 82 -7.642 -13.586 -5.269 625 2HB LYS 82 HB1 LYS 82 -7.799 -15.058 -4.318 626 1HG LYS 82 HG2 LYS 82 -9.674 -13.848 -3.053 627 2HG LYS 82 HG1 LYS 82 -9.635 -12.664 -4.356 628 1HD LYS 82 HD2 LYS 82 -9.866 -14.656 -5.958 629 2HD LYS 82 HD1 LYS 82 -10.289 -15.607 -4.532 630 1HE LYS 82 HE2 LYS 82 -12.334 -14.779 -5.562 631 2HE LYS 82 HE1 LYS 82 -12.092 -13.954 -4.022 632 1HZ LYS 82 HZ2 LYS 82 -10.730 -12.478 -5.919 633 2HZ LYS 82 HZ1 LYS 82 -12.232 -12.851 -6.622 634 3HZ LYS 82 HZ3 LYS 82 -12.170 -12.054 -5.126 635 H GLY 83 HN GLY 83 -4.991 -12.097 -2.508 636 1HA GLY 83 HA2 GLY 83 -2.719 -12.690 -2.341 637 2HA GLY 83 HA1 GLY 83 -3.151 -14.336 -2.777 638 H GLN 84 HN GLN 84 -4.264 -11.817 -4.907 639 HA GLN 84 HA GLN 84 -1.985 -12.370 -6.768 640 1HB GLN 84 HB2 GLN 84 -4.936 -12.305 -7.441 641 2HB GLN 84 HB1 GLN 84 -3.638 -12.383 -8.632 642 1HG GLN 84 HG2 GLN 84 -2.831 -14.488 -7.578 643 2HG GLN 84 HG1 GLN 84 -4.202 -14.430 -6.469 644 1HE2 GLN 84 HE22 GLN 84 -6.477 -14.724 -9.453 645 2HE2 GLN 84 HE21 GLN 84 -6.193 -13.493 -8.318 646 H LYS 85 HN LYS 85 -1.341 -10.606 -8.054 647 HA LYS 85 HA LYS 85 -2.149 -7.958 -7.074 648 1HB LYS 85 HB2 LYS 85 0.196 -8.506 -7.712 649 2HB LYS 85 HB1 LYS 85 -0.336 -8.702 -9.381 650 1HG LYS 85 HG2 LYS 85 -1.125 -6.358 -9.405 651 2HG LYS 85 HG1 LYS 85 -0.601 -6.167 -7.736 652 1HD LYS 85 HD2 LYS 85 1.207 -5.282 -8.947 653 2HD LYS 85 HD1 LYS 85 1.733 -6.931 -8.617 654 1HE LYS 85 HE2 LYS 85 1.086 -7.645 -10.848 655 2HE LYS 85 HE1 LYS 85 0.355 -6.075 -11.182 656 1HZ LYS 85 HZ1 LYS 85 2.563 -5.078 -10.851 657 2HZ LYS 85 HZ3 LYS 85 3.223 -6.630 -10.680 658 3HZ LYS 85 HZ2 LYS 85 2.520 -6.167 -12.155 659 H VAL 86 HN VAL 86 -3.748 -6.747 -7.940 660 HA VAL 86 HA VAL 86 -4.702 -7.385 -10.713 661 HB VAL 86 HB VAL 86 -6.942 -6.577 -9.895 662 1HG1 VAL 86 HG13 VAL 86 -6.227 -9.016 -10.005 663 2HG1 VAL 86 HG12 VAL 86 -5.879 -8.908 -8.278 664 3HG1 VAL 86 HG11 VAL 86 -7.525 -8.664 -8.864 665 1HG2 VAL 86 HG21 VAL 86 -6.031 -5.298 -7.955 666 2HG2 VAL 86 HG23 VAL 86 -7.292 -6.433 -7.474 667 3HG2 VAL 86 HG22 VAL 86 -5.598 -6.824 -7.185 668 H GLY 87 HN GLY 87 -2.964 -5.121 -9.089 669 1HA GLY 87 HA2 GLY 87 -3.397 -3.117 -11.090 670 2HA GLY 87 HA1 GLY 87 -4.292 -2.671 -9.642 671 H GLU 88 HN GLU 88 -2.113 -1.197 -10.758 672 HA GLU 88 HA GLU 88 -0.510 -0.827 -8.380 673 1HB GLU 88 HB2 GLU 88 0.988 -2.489 -8.974 674 2HB GLU 88 HB1 GLU 88 0.536 -2.424 -10.667 675 1HG GLU 88 HG2 GLU 88 2.868 -1.710 -10.340 676 2HG GLU 88 HG1 GLU 88 1.907 -0.376 -10.955 677 H PHE 89 HN PHE 89 0.543 1.197 -8.430 678 HA PHE 89 HA PHE 89 0.927 2.678 -10.854 679 1HB PHE 89 HB2 PHE 89 -0.821 4.251 -10.857 680 2HB PHE 89 HB1 PHE 89 -1.636 2.726 -10.548 681 HD1 PHE 89 HD1 PHE 89 -0.186 5.710 -8.844 682 HD2 PHE 89 HD2 PHE 89 -2.988 2.471 -8.616 683 HE1 PHE 89 HE1 PHE 89 -1.151 6.699 -6.787 684 HE2 PHE 89 HE2 PHE 89 -3.955 3.458 -6.555 685 HZ PHE 89 HZ PHE 89 -3.042 5.579 -5.648 686 H SER 90 HN SER 90 1.862 4.780 -10.450 687 HA SER 90 HA SER 90 2.814 5.173 -7.629 688 1HB SER 90 HB2 SER 90 4.955 5.928 -8.579 689 2HB SER 90 HB1 SER 90 4.617 4.261 -9.047 690 HG SER 90 HG SER 90 5.170 6.216 -10.638 691 H GLY 91 HN GLY 91 3.512 7.403 -7.192 692 1HA GLY 91 HA2 GLY 91 3.555 9.755 -8.095 693 2HA GLY 91 HA1 GLY 91 1.990 9.413 -8.833 694 H ALA 92 HN ALA 92 2.934 11.333 -6.626 695 HA ALA 92 HA ALA 92 1.591 10.409 -4.225 696 1HB ALA 92 HB1 ALA 92 2.799 12.994 -5.173 697 2HB ALA 92 HB3 ALA 92 1.839 12.972 -3.694 698 3HB ALA 92 HB2 ALA 92 3.289 11.972 -3.823 699 H ASN 93 HN ASN 93 -0.432 9.901 -5.779 700 HA ASN 93 HA ASN 93 -2.267 12.277 -5.648 701 1HB ASN 93 HB2 ASN 93 -1.820 11.481 -7.985 702 2HB ASN 93 HB1 ASN 93 -2.518 9.922 -7.532 703 1HD2 ASN 93 HD22 ASN 93 -4.973 13.054 -8.285 704 2HD2 ASN 93 HD21 ASN 93 -3.291 13.190 -8.443 705 H LYS 94 HN LYS 94 -3.183 11.885 -3.665 706 HA LYS 94 HA LYS 94 -3.838 9.263 -2.671 707 1HB LYS 94 HB2 LYS 94 -5.130 10.561 -0.974 708 2HB LYS 94 HB1 LYS 94 -3.455 11.064 -1.132 709 1HG LYS 94 HG2 LYS 94 -5.263 12.531 -2.959 710 2HG LYS 94 HG1 LYS 94 -5.696 12.758 -1.273 711 1HD LYS 94 HD2 LYS 94 -3.250 13.325 -0.847 712 2HD LYS 94 HD1 LYS 94 -3.041 13.345 -2.604 713 1HE LYS 94 HE2 LYS 94 -4.799 15.061 -2.784 714 2HE LYS 94 HE1 LYS 94 -5.010 15.029 -1.031 715 1HZ LYS 94 HZ3 LYS 94 -2.335 15.495 -2.156 716 2HZ LYS 94 HZ2 LYS 94 -3.448 16.778 -2.114 717 3HZ LYS 94 HZ1 LYS 94 -2.981 16.006 -0.675 718 H GLU 95 HN GLU 95 -5.670 11.616 -4.566 719 HA GLU 95 HA GLU 95 -8.264 10.485 -4.101 720 1HB GLU 95 HB2 GLU 95 -7.172 12.053 -6.456 721 2HB GLU 95 HB1 GLU 95 -8.880 11.711 -6.184 722 1HG GLU 95 HG2 GLU 95 -7.118 13.151 -4.189 723 2HG GLU 95 HG1 GLU 95 -8.154 13.975 -5.353 724 H LYS 96 HN LYS 96 -5.647 9.685 -6.251 725 HA LYS 96 HA LYS 96 -7.016 8.057 -8.136 726 1HB LYS 96 HB2 LYS 96 -4.637 8.916 -8.217 727 2HB LYS 96 HB1 LYS 96 -4.205 7.646 -7.096 728 1HG LYS 96 HG2 LYS 96 -4.748 5.934 -8.647 729 2HG LYS 96 HG1 LYS 96 -5.603 7.058 -9.706 730 1HD LYS 96 HD2 LYS 96 -3.489 8.232 -10.186 731 2HD LYS 96 HD1 LYS 96 -2.624 7.125 -9.125 732 1HE LYS 96 HE2 LYS 96 -2.342 6.344 -11.404 733 2HE LYS 96 HE1 LYS 96 -3.422 5.222 -10.575 734 1HZ LYS 96 HZ3 LYS 96 -4.376 7.506 -12.203 735 2HZ LYS 96 HZ2 LYS 96 -4.175 5.935 -12.821 736 3HZ LYS 96 HZ1 LYS 96 -5.298 6.227 -11.580 737 H LEU 97 HN LEU 97 -5.762 7.429 -4.915 738 HA LEU 97 HA LEU 97 -5.944 4.592 -4.900 739 1HB LEU 97 HB2 LEU 97 -6.259 6.698 -2.755 740 2HB LEU 97 HB1 LEU 97 -6.444 4.993 -2.377 741 HG LEU 97 HG LEU 97 -3.993 6.206 -3.670 742 1HD1 LEU 97 HD12 LEU 97 -4.633 5.507 -0.796 743 2HD1 LEU 97 HD11 LEU 97 -2.986 5.749 -1.377 744 3HD1 LEU 97 HD13 LEU 97 -4.147 7.077 -1.438 745 1HD2 LEU 97 HD21 LEU 97 -4.805 3.424 -2.846 746 2HD2 LEU 97 HD23 LEU 97 -3.852 3.939 -4.234 747 3HD2 LEU 97 HD22 LEU 97 -3.122 3.888 -2.641 748 H GLU 98 HN GLU 98 -8.333 7.121 -4.286 749 HA GLU 98 HA GLU 98 -10.418 5.373 -3.394 750 1HB GLU 98 HB2 GLU 98 -10.510 7.824 -3.116 751 2HB GLU 98 HB1 GLU 98 -10.689 8.013 -4.858 752 1HG GLU 98 HG2 GLU 98 -12.797 6.664 -4.759 753 2HG GLU 98 HG1 GLU 98 -12.622 6.580 -3.005 754 H ALA 99 HN ALA 99 -9.650 6.565 -6.667 755 HA ALA 99 HA ALA 99 -11.916 5.273 -7.881 756 1HB ALA 99 HB3 ALA 99 -10.498 7.150 -8.867 757 2HB ALA 99 HB2 ALA 99 -9.308 5.912 -9.276 758 3HB ALA 99 HB1 ALA 99 -10.926 5.847 -9.975 759 H THR 100 HN THR 100 -8.514 4.209 -7.531 760 HA THR 100 HA THR 100 -8.909 1.803 -9.040 761 HB THR 100 HB THR 100 -6.946 2.156 -6.751 762 HG1 THR 100 HG1 THR 100 -6.094 3.657 -7.937 763 1HG2 THR 100 HG21 THR 100 -6.993 0.504 -9.293 764 2HG2 THR 100 HG23 THR 100 -5.567 0.691 -8.276 765 3HG2 THR 100 HG22 THR 100 -7.011 -0.097 -7.638 766 H ILE 101 HN ILE 101 -9.272 2.597 -5.614 767 HA ILE 101 HA ILE 101 -9.916 -0.066 -4.690 768 HB ILE 101 HB ILE 101 -10.648 2.695 -3.641 769 1HG1 ILE 101 HG12 ILE 101 -8.719 0.663 -2.490 770 2HG1 ILE 101 HG11 ILE 101 -8.212 1.858 -3.682 771 1HG2 ILE 101 HG21 ILE 101 -11.113 -0.065 -2.471 772 2HG2 ILE 101 HG23 ILE 101 -11.147 1.407 -1.500 773 3HG2 ILE 101 HG22 ILE 101 -12.322 1.178 -2.793 774 1HD1 ILE 101 HD11 ILE 101 -9.113 3.654 -2.168 775 2HD1 ILE 101 HD13 ILE 101 -9.408 2.409 -0.955 776 3HD1 ILE 101 HD12 ILE 101 -7.760 2.757 -1.479 777 H ASN 102 HN ASN 102 -11.838 2.720 -5.692 778 HA ASN 102 HA ASN 102 -14.421 1.564 -5.443 779 1HB ASN 102 HB2 ASN 102 -13.818 4.019 -5.853 780 2HB ASN 102 HB1 ASN 102 -13.515 3.582 -7.535 781 1HD2 ASN 102 HD22 ASN 102 -17.343 2.626 -6.766 782 2HD2 ASN 102 HD21 ASN 102 -16.048 1.753 -6.113 783 H GLU 103 HN GLU 103 -11.985 1.509 -7.954 784 HA GLU 103 HA GLU 103 -13.574 0.260 -9.996 785 1HB GLU 103 HB2 GLU 103 -11.399 1.544 -10.296 786 2HB GLU 103 HB1 GLU 103 -10.568 0.136 -9.653 787 1HG GLU 103 HG2 GLU 103 -12.448 -0.074 -12.010 788 2HG GLU 103 HG1 GLU 103 -10.738 0.298 -12.208 789 H LEU 104 HN LEU 104 -11.393 -1.011 -7.473 790 HA LEU 104 HA LEU 104 -11.976 -3.792 -8.357 791 1HB LEU 104 HB2 LEU 104 -10.046 -2.714 -6.293 792 2HB LEU 104 HB1 LEU 104 -10.209 -4.413 -6.716 793 HG LEU 104 HG LEU 104 -9.508 -2.227 -8.696 794 1HD1 LEU 104 HD13 LEU 104 -7.775 -4.053 -7.030 795 2HD1 LEU 104 HD12 LEU 104 -7.200 -3.351 -8.544 796 3HD1 LEU 104 HD11 LEU 104 -7.669 -2.302 -7.208 797 1HD2 LEU 104 HD23 LEU 104 -9.724 -5.239 -8.827 798 2HD2 LEU 104 HD22 LEU 104 -10.328 -4.036 -9.962 799 3HD2 LEU 104 HD21 LEU 104 -8.605 -4.394 -9.895 800 H VAL 105 HN VAL 105 -13.331 -1.590 -6.169 801 HA VAL 105 HA VAL 105 -13.746 -3.310 -3.903 802 HB VAL 105 HB VAL 105 -14.189 -0.795 -3.978 803 1HG1 VAL 105 HG13 VAL 105 -15.695 -1.158 -6.105 804 2HG1 VAL 105 HG12 VAL 105 -16.955 -1.510 -4.929 805 3HG1 VAL 105 HG11 VAL 105 -16.153 0.061 -4.919 806 1HG2 VAL 105 HG22 VAL 105 -16.364 -2.616 -2.903 807 2HG2 VAL 105 HG21 VAL 105 -14.856 -2.220 -2.082 808 3HG2 VAL 105 HG23 VAL 105 -16.060 -0.963 -2.368 809 HA PRO 59 HA PRO 106 14.483 14.791 -14.079 810 1HB PRO 59 HB2 PRO 106 16.868 13.866 -12.986 811 2HB PRO 59 HB1 PRO 106 16.671 14.422 -14.659 812 1HG PRO 59 HG2 PRO 106 17.847 15.838 -12.326 813 2HG PRO 59 HG1 PRO 106 18.272 15.939 -14.041 814 1HD PRO 59 HD2 PRO 106 16.792 17.862 -12.709 815 2HD PRO 59 HD1 PRO 106 16.708 17.590 -14.463 816 H ALA 60 HN ALA 107 14.899 16.396 -11.077 817 HA ALA 60 HA ALA 107 14.101 13.952 -9.530 818 1HB ALA 60 HB2 ALA 107 16.097 15.214 -8.730 819 2HB ALA 60 HB1 ALA 107 15.080 16.642 -8.523 820 3HB ALA 60 HB3 ALA 107 14.790 15.201 -7.547 821 H THR 61 HN THR 108 11.963 13.791 -9.041 822 HA THR 61 HA THR 108 10.259 16.260 -9.138 823 HB THR 61 HB THR 108 9.443 13.340 -9.283 824 HG1 THR 61 HG1 THR 108 9.014 14.659 -11.527 825 1HG2 THR 61 HG23 THR 108 7.927 15.905 -9.843 826 2HG2 THR 61 HG22 THR 108 7.303 14.275 -10.092 827 3HG2 THR 61 HG21 THR 108 7.674 14.836 -8.465 828 H LEU 62 HN LEU 109 9.320 16.961 -7.268 829 HA LEU 62 HA LEU 109 9.974 15.738 -4.746 830 1HB LEU 62 HB2 LEU 109 8.006 17.904 -5.515 831 2HB LEU 62 HB1 LEU 109 8.262 17.402 -3.846 832 HG LEU 62 HG LEU 109 10.474 18.365 -5.687 833 1HD1 LEU 62 HD12 LEU 109 8.853 19.844 -3.595 834 2HD1 LEU 62 HD11 LEU 109 10.351 20.457 -4.295 835 3HD1 LEU 62 HD13 LEU 109 8.939 20.199 -5.320 836 1HD2 LEU 62 HD22 LEU 109 10.338 17.446 -2.827 837 2HD2 LEU 62 HD21 LEU 109 11.618 17.228 -4.019 838 3HD2 LEU 62 HD23 LEU 109 11.429 18.777 -3.204 839 H LYS 63 HN LYS 110 7.207 15.481 -6.901 840 HA LYS 63 HA LYS 110 5.354 14.292 -5.057 841 1HB LYS 63 HB2 LYS 110 5.579 13.869 -8.058 842 2HB LYS 63 HB1 LYS 110 4.176 13.484 -7.069 843 1HG LYS 63 HG2 LYS 110 5.324 16.252 -7.549 844 2HG LYS 63 HG1 LYS 110 3.814 15.620 -8.198 845 1HD LYS 63 HD2 LYS 110 3.171 15.244 -5.694 846 2HD LYS 63 HD1 LYS 110 4.475 16.383 -5.357 847 1HE LYS 63 HE2 LYS 110 2.116 16.925 -7.181 848 2HE LYS 63 HE1 LYS 110 2.303 17.541 -5.540 849 1HZ LYS 63 HZ1 LYS 110 4.232 18.051 -7.737 850 2HZ LYS 63 HZ3 LYS 110 2.995 19.122 -7.292 851 3HZ LYS 63 HZ2 LYS 110 4.233 18.752 -6.190 852 H ILE 64 HN ILE 111 8.201 13.088 -6.535 853 HA ILE 64 HA ILE 111 7.566 10.287 -5.623 854 HB ILE 64 HB ILE 111 9.048 11.189 -8.119 855 1HG1 ILE 64 HG12 ILE 111 6.608 11.207 -8.362 856 2HG1 ILE 64 HG11 ILE 111 7.302 9.890 -9.297 857 1HG2 ILE 64 HG21 ILE 111 8.815 8.481 -6.804 858 2HG2 ILE 64 HG23 ILE 111 9.165 8.655 -8.524 859 3HG2 ILE 64 HG22 ILE 111 10.274 9.324 -7.327 860 1HD1 ILE 64 HD11 ILE 111 6.830 8.546 -7.004 861 2HD1 ILE 64 HD13 ILE 111 5.589 9.789 -6.856 862 3HD1 ILE 64 HD12 ILE 111 5.610 8.721 -8.259 863 H CYS 65 HN CYS 112 9.327 9.253 -4.508 864 HA CYS 65 HA CYS 112 11.698 10.989 -3.963 865 1HB CYS 65 HB2 CYS 112 11.034 8.389 -2.557 866 2HB CYS 65 HB1 CYS 112 12.146 9.640 -2.029 867 H SER 66 HN SER 113 13.682 10.409 -4.836 868 HA SER 66 HA SER 113 13.731 8.194 -6.750 869 1HB SER 66 HB2 SER 113 15.926 10.085 -5.862 870 2HB SER 66 HB1 SER 113 16.023 8.978 -7.230 871 HG SER 66 HG SER 113 13.760 10.490 -7.272 872 H TRP 67 HN TRP 114 14.800 6.240 -6.554 873 HA TRP 67 HA TRP 114 15.552 5.357 -3.874 874 1HB TRP 67 HB2 TRP 114 15.632 4.024 -6.592 875 2HB TRP 67 HB1 TRP 114 16.159 3.219 -5.110 876 HD1 TRP 67 HD1 TRP 114 13.083 5.343 -6.093 877 HE1 TRP 67 HE1 TRP 114 10.983 4.185 -5.153 878 HE3 TRP 67 HE3 TRP 114 15.223 1.294 -3.870 879 HZ2 TRP 67 HZ2 TRP 114 10.324 1.869 -3.643 880 HZ3 TRP 67 HZ3 TRP 114 13.848 -0.372 -2.687 881 HH2 TRP 67 HH2 TRP 114 11.394 -0.095 -2.579 882 H ASN 68 HN ASN 115 17.167 6.771 -6.563 883 HA ASN 68 HA ASN 115 19.785 5.722 -6.363 884 1HB ASN 68 HB2 ASN 115 18.834 8.555 -6.911 885 2HB ASN 68 HB1 ASN 115 20.509 8.031 -7.112 886 1HD2 ASN 68 HD22 ASN 115 18.307 5.637 -9.488 887 2HD2 ASN 68 HD21 ASN 115 18.285 5.510 -7.797 888 H VAL 69 HN VAL 116 17.919 7.381 -4.095 889 HA VAL 69 HA VAL 116 19.869 8.847 -2.630 890 HB VAL 69 HB VAL 116 17.456 9.113 -2.302 891 1HG1 VAL 69 HG12 VAL 116 16.972 6.650 -2.657 892 2HG1 VAL 69 HG11 VAL 116 17.467 6.383 -0.989 893 3HG1 VAL 69 HG13 VAL 116 16.070 7.399 -1.346 894 1HG2 VAL 69 HG22 VAL 116 19.181 9.454 -0.393 895 2HG2 VAL 69 HG21 VAL 116 17.473 9.388 0.033 896 3HG2 VAL 69 HG23 VAL 116 18.499 7.977 0.290 897 H ASP 70 HN ASP 117 21.378 8.180 -1.104 898 HA ASP 70 HA ASP 117 22.202 5.434 -1.081 899 1HB ASP 70 HB2 ASP 117 22.914 7.752 0.737 900 2HB ASP 70 HB1 ASP 117 23.675 6.162 0.847 901 H GLY 71 HN GLY 118 20.009 7.246 0.965 902 1HA GLY 71 HA2 GLY 118 18.598 6.499 2.695 903 2HA GLY 71 HA1 GLY 118 18.852 4.871 2.063 No H/Q in entry = 903 Start of MODEL 24 1 1H MET 1 HT1 MET 1 -8.760 -0.890 9.265 2 2H MET 1 HT3 MET 1 -9.658 -1.853 10.334 3 3H MET 1 HT2 MET 1 -9.401 -0.209 10.682 4 HA MET 1 HA MET 1 -7.539 -0.665 11.754 5 1HB MET 1 HB2 MET 1 -8.778 -2.769 12.299 6 2HB MET 1 HB1 MET 1 -8.019 -3.542 10.907 7 1HG MET 1 HG2 MET 1 -5.776 -3.023 11.913 8 2HG MET 1 HG1 MET 1 -6.606 -2.413 13.341 9 1HE MET 1 HE2 MET 1 -7.286 -3.647 15.205 10 2HE MET 1 HE1 MET 1 -8.759 -4.065 14.332 11 3HE MET 1 HE3 MET 1 -7.878 -5.306 15.235 12 H VAL 2 HN VAL 2 -5.397 -0.413 11.232 13 HA VAL 2 HA VAL 2 -4.584 -1.035 8.426 14 HB VAL 2 HB VAL 2 -3.321 0.715 10.562 15 1HG1 VAL 2 HG12 VAL 2 -2.523 0.086 7.708 16 2HG1 VAL 2 HG11 VAL 2 -1.942 1.514 8.569 17 3HG1 VAL 2 HG13 VAL 2 -1.547 -0.100 9.166 18 1HG2 VAL 2 HG23 VAL 2 -4.804 1.353 7.989 19 2HG2 VAL 2 HG22 VAL 2 -5.422 1.597 9.622 20 3HG2 VAL 2 HG21 VAL 2 -4.047 2.540 9.050 21 H LYS 3 HN LYS 3 -2.570 -2.148 8.031 22 HA LYS 3 HA LYS 3 -1.438 -3.672 10.357 23 1HB LYS 3 HB2 LYS 3 -2.944 -5.129 9.031 24 2HB LYS 3 HB1 LYS 3 -2.025 -4.746 7.577 25 1HG LYS 3 HG2 LYS 3 -0.062 -5.808 8.411 26 2HG LYS 3 HG1 LYS 3 -0.724 -5.965 10.029 27 1HD LYS 3 HD2 LYS 3 -2.128 -7.265 7.695 28 2HD LYS 3 HD1 LYS 3 -0.723 -8.045 8.412 29 1HE LYS 3 HE2 LYS 3 -3.251 -7.244 9.891 30 2HE LYS 3 HE1 LYS 3 -2.775 -8.885 9.454 31 1HZ LYS 3 HZ2 LYS 3 -0.603 -8.142 10.731 32 2HZ LYS 3 HZ1 LYS 3 -1.711 -7.130 11.529 33 3HZ LYS 3 HZ3 LYS 3 -1.940 -8.810 11.541 34 H GLN 4 HN GLN 4 0.705 -3.314 10.507 35 HA GLN 4 HA GLN 4 2.136 -2.124 8.193 36 1HB GLN 4 HB2 GLN 4 2.398 -1.094 10.442 37 2HB GLN 4 HB1 GLN 4 3.062 -2.611 11.045 38 1HG GLN 4 HG2 GLN 4 4.910 -2.458 9.397 39 2HG GLN 4 HG1 GLN 4 4.252 -0.926 8.819 40 1HE2 GLN 4 HE22 GLN 4 6.393 0.617 11.178 41 2HE2 GLN 4 HE21 GLN 4 6.034 0.390 9.534 42 H ILE 5 HN ILE 5 3.347 -3.386 6.909 43 HA ILE 5 HA ILE 5 3.994 -6.168 7.778 44 HB ILE 5 HB ILE 5 4.326 -4.885 5.056 45 1HG1 ILE 5 HG12 ILE 5 1.955 -4.741 5.779 46 2HG1 ILE 5 HG11 ILE 5 2.167 -5.855 4.433 47 1HG2 ILE 5 HG21 ILE 5 4.171 -7.754 5.991 48 2HG2 ILE 5 HG23 ILE 5 4.225 -7.242 4.307 49 3HG2 ILE 5 HG22 ILE 5 5.595 -6.923 5.364 50 1HD1 ILE 5 HD11 ILE 5 2.205 -7.752 6.087 51 2HD1 ILE 5 HD13 ILE 5 1.828 -6.593 7.355 52 3HD1 ILE 5 HD12 ILE 5 0.685 -6.872 6.054 53 H GLU 6 HN GLU 6 6.013 -6.289 8.727 54 HA GLU 6 HA GLU 6 8.139 -4.398 7.835 55 1HB GLU 6 HB2 GLU 6 8.076 -6.319 10.178 56 2HB GLU 6 HB1 GLU 6 9.360 -5.163 9.832 57 1HG GLU 6 HG2 GLU 6 6.488 -4.310 10.221 58 2HG GLU 6 HG1 GLU 6 7.628 -4.427 11.560 59 H SER 7 HN SER 7 7.057 -7.423 7.009 60 HA SER 7 HA SER 7 9.668 -8.070 5.794 61 1HB SER 7 HB2 SER 7 9.718 -10.357 6.757 62 2HB SER 7 HB1 SER 7 9.892 -9.112 7.996 63 HG SER 7 HG SER 7 7.324 -10.010 7.319 64 H LYS 8 HN LYS 8 9.513 -9.687 4.147 65 HA LYS 8 HA LYS 8 7.065 -9.704 2.657 66 1HB LYS 8 HB2 LYS 8 9.417 -10.174 1.766 67 2HB LYS 8 HB1 LYS 8 9.255 -11.775 2.488 68 1HG LYS 8 HG2 LYS 8 7.234 -12.194 1.160 69 2HG LYS 8 HG1 LYS 8 7.369 -10.587 0.448 70 1HD LYS 8 HD2 LYS 8 8.288 -12.293 -1.071 71 2HD LYS 8 HD1 LYS 8 9.545 -11.183 -0.532 72 1HE LYS 8 HE2 LYS 8 10.026 -13.750 -0.512 73 2HE LYS 8 HE1 LYS 8 10.530 -12.784 0.871 74 1HZ LYS 8 HZ3 LYS 8 7.851 -14.000 0.839 75 2HZ LYS 8 HZ2 LYS 8 9.200 -14.956 1.233 76 3HZ LYS 8 HZ1 LYS 8 8.824 -13.585 2.165 77 H THR 9 HN THR 9 8.467 -11.855 5.052 78 HA THR 9 HA THR 9 6.749 -14.072 4.692 79 HB THR 9 HB THR 9 7.788 -13.022 7.338 80 HG1 THR 9 HG1 THR 9 9.647 -14.005 6.854 81 1HG2 THR 9 HG23 THR 9 6.801 -15.706 6.369 82 2HG2 THR 9 HG22 THR 9 7.811 -15.542 7.805 83 3HG2 THR 9 HG21 THR 9 6.228 -14.768 7.747 84 H ALA 10 HN ALA 10 6.318 -11.130 6.634 85 HA ALA 10 HA ALA 10 3.691 -11.878 7.575 86 1HB ALA 10 HB3 ALA 10 5.224 -9.281 7.463 87 2HB ALA 10 HB2 ALA 10 3.537 -9.311 7.979 88 3HB ALA 10 HB1 ALA 10 4.751 -10.219 8.881 89 H PHE 11 HN PHE 11 4.935 -10.256 4.719 90 HA PHE 11 HA PHE 11 2.536 -9.052 3.772 91 1HB PHE 11 HB2 PHE 11 4.893 -8.810 2.814 92 2HB PHE 11 HB1 PHE 11 4.662 -10.369 2.054 93 HD1 PHE 11 HD1 PHE 11 2.829 -7.114 2.435 94 HD2 PHE 11 HD2 PHE 11 3.865 -10.391 -0.149 95 HE1 PHE 11 HE1 PHE 11 1.652 -6.009 0.556 96 HE2 PHE 11 HE2 PHE 11 2.680 -9.282 -2.023 97 HZ PHE 11 HZ PHE 11 1.574 -7.095 -1.663 98 H GLN 12 HN GLN 12 3.859 -12.323 3.304 99 HA GLN 12 HA GLN 12 1.733 -13.254 1.596 100 1HB GLN 12 HB2 GLN 12 3.481 -14.856 3.503 101 2HB GLN 12 HB1 GLN 12 2.571 -15.499 2.136 102 1HG GLN 12 HG2 GLN 12 4.786 -13.437 1.922 103 2HG GLN 12 HG1 GLN 12 4.971 -15.161 1.586 104 1HE2 GLN 12 HE22 GLN 12 4.046 -13.169 -1.542 105 2HE2 GLN 12 HE21 GLN 12 5.181 -12.852 -0.324 106 H GLU 13 HN GLU 13 2.265 -13.291 5.090 107 HA GLU 13 HA GLU 13 -0.053 -14.812 5.818 108 1HB GLU 13 HB2 GLU 13 1.576 -12.733 7.299 109 2HB GLU 13 HB1 GLU 13 0.294 -13.655 8.058 110 1HG GLU 13 HG2 GLU 13 2.702 -14.885 6.690 111 2HG GLU 13 HG1 GLU 13 2.555 -14.651 8.432 112 H ALA 14 HN ALA 14 0.456 -11.316 5.421 113 HA ALA 14 HA ALA 14 -2.160 -10.590 6.368 114 1HB ALA 14 HB1 ALA 14 -0.244 -8.996 6.201 115 2HB ALA 14 HB3 ALA 14 -0.374 -9.065 4.442 116 3HB ALA 14 HB2 ALA 14 -1.697 -8.398 5.400 117 H LEU 15 HN LEU 15 -0.844 -11.287 3.135 118 HA LEU 15 HA LEU 15 -3.198 -10.635 1.667 119 1HB LEU 15 HB2 LEU 15 -1.019 -12.676 1.160 120 2HB LEU 15 HB1 LEU 15 -2.271 -12.285 -0.019 121 HG LEU 15 HG LEU 15 -0.495 -10.169 1.215 122 1HD1 LEU 15 HD12 LEU 15 0.015 -11.996 -1.128 123 2HD1 LEU 15 HD11 LEU 15 0.681 -10.369 -1.115 124 3HD1 LEU 15 HD13 LEU 15 1.116 -11.506 0.158 125 1HD2 LEU 15 HD21 LEU 15 -2.365 -10.300 -1.163 126 2HD2 LEU 15 HD23 LEU 15 -2.346 -9.132 0.157 127 3HD2 LEU 15 HD22 LEU 15 -1.093 -9.085 -1.077 128 H ASP 16 HN ASP 16 -2.141 -13.588 3.319 129 HA ASP 16 HA ASP 16 -4.400 -15.165 2.482 130 1HB ASP 16 HB2 ASP 16 -2.181 -16.054 3.377 131 2HB ASP 16 HB1 ASP 16 -2.773 -15.628 4.988 132 H ALA 17 HN ALA 17 -3.773 -13.048 5.232 133 HA ALA 17 HA ALA 17 -6.087 -13.815 6.768 134 1HB ALA 17 HB3 ALA 17 -4.073 -12.514 7.616 135 2HB ALA 17 HB2 ALA 17 -4.740 -11.109 6.787 136 3HB ALA 17 HB1 ALA 17 -5.641 -11.870 8.099 137 H ALA 18 HN ALA 18 -5.496 -11.230 4.413 138 HA ALA 18 HA ALA 18 -8.031 -9.951 4.634 139 1HB ALA 18 HB3 ALA 18 -6.154 -10.240 2.276 140 2HB ALA 18 HB2 ALA 18 -7.551 -9.164 2.291 141 3HB ALA 18 HB1 ALA 18 -6.218 -8.895 3.414 142 H GLY 19 HN GLY 19 -6.960 -12.778 2.815 143 1HA GLY 19 HA2 GLY 19 -8.224 -14.477 1.802 144 2HA GLY 19 HA1 GLY 19 -9.634 -13.821 2.633 145 H ASP 20 HN ASP 20 -11.187 -13.254 1.197 146 HA ASP 20 HA ASP 20 -10.453 -12.538 -1.570 147 1HB ASP 20 HB2 ASP 20 -13.146 -12.900 -0.243 148 2HB ASP 20 HB1 ASP 20 -12.892 -12.611 -1.963 149 H LYS 21 HN LYS 21 -10.605 -10.789 1.194 150 HA LYS 21 HA LYS 21 -12.211 -8.537 0.274 151 1HB LYS 21 HB2 LYS 21 -10.182 -8.778 2.513 152 2HB LYS 21 HB1 LYS 21 -11.225 -7.383 2.245 153 1HG LYS 21 HG2 LYS 21 -13.214 -8.870 2.450 154 2HG LYS 21 HG1 LYS 21 -12.138 -10.215 2.821 155 1HD LYS 21 HD2 LYS 21 -12.967 -9.296 4.912 156 2HD LYS 21 HD1 LYS 21 -11.253 -8.916 4.765 157 1HE LYS 21 HE2 LYS 21 -11.648 -6.648 4.380 158 2HE LYS 21 HE1 LYS 21 -13.269 -6.930 3.745 159 1HZ LYS 21 HZ2 LYS 21 -12.557 -7.465 6.565 160 2HZ LYS 21 HZ1 LYS 21 -13.107 -5.945 6.043 161 3HZ LYS 21 HZ3 LYS 21 -14.106 -7.305 5.885 162 H LEU 22 HN LEU 22 -11.379 -6.487 -0.470 163 HA LEU 22 HA LEU 22 -9.169 -6.655 -2.243 164 1HB LEU 22 HB2 LEU 22 -11.210 -4.851 -1.791 165 2HB LEU 22 HB1 LEU 22 -9.828 -3.957 -1.184 166 HG LEU 22 HG LEU 22 -10.171 -5.098 -3.960 167 1HD1 LEU 22 HD12 LEU 22 -10.570 -2.430 -2.724 168 2HD1 LEU 22 HD11 LEU 22 -9.583 -2.390 -4.179 169 3HD1 LEU 22 HD13 LEU 22 -11.199 -3.084 -4.230 170 1HD2 LEU 22 HD21 LEU 22 -7.761 -3.900 -2.579 171 2HD2 LEU 22 HD23 LEU 22 -7.850 -5.364 -3.563 172 3HD2 LEU 22 HD22 LEU 22 -7.956 -3.786 -4.326 173 H VAL 23 HN VAL 23 -7.034 -5.592 -2.010 174 HA VAL 23 HA VAL 23 -6.199 -4.927 0.755 175 HB VAL 23 HB VAL 23 -4.811 -6.992 -0.979 176 1HG1 VAL 23 HG12 VAL 23 -4.134 -5.701 1.671 177 2HG1 VAL 23 HG11 VAL 23 -3.423 -7.234 1.165 178 3HG1 VAL 23 HG13 VAL 23 -3.142 -5.776 0.214 179 1HG2 VAL 23 HG21 VAL 23 -6.507 -7.179 1.516 180 2HG2 VAL 23 HG23 VAL 23 -6.675 -8.077 0.006 181 3HG2 VAL 23 HG22 VAL 23 -5.337 -8.430 1.097 182 H VAL 24 HN VAL 24 -5.370 -2.927 0.461 183 HA VAL 24 HA VAL 24 -3.891 -2.327 -2.052 184 HB VAL 24 HB VAL 24 -4.812 -0.457 0.157 185 1HG1 VAL 24 HG12 VAL 24 -2.915 0.320 -1.308 186 2HG1 VAL 24 HG11 VAL 24 -3.981 0.127 -2.699 187 3HG1 VAL 24 HG13 VAL 24 -4.372 1.307 -1.449 188 1HG2 VAL 24 HG22 VAL 24 -6.096 -1.293 -2.453 189 2HG2 VAL 24 HG21 VAL 24 -6.771 -1.432 -0.830 190 3HG2 VAL 24 HG23 VAL 24 -6.574 0.157 -1.572 191 H VAL 25 HN VAL 25 -1.671 -1.756 -1.957 192 HA VAL 25 HA VAL 25 -0.368 -1.967 0.752 193 HB VAL 25 HB VAL 25 0.750 -2.937 -1.893 194 1HG1 VAL 25 HG11 VAL 25 2.395 -2.238 -0.117 195 2HG1 VAL 25 HG13 VAL 25 1.676 -3.456 0.938 196 3HG1 VAL 25 HG12 VAL 25 2.488 -3.945 -0.550 197 1HG2 VAL 25 HG21 VAL 25 -1.243 -4.237 -1.058 198 2HG2 VAL 25 HG23 VAL 25 0.246 -5.176 -1.133 199 3HG2 VAL 25 HG22 VAL 25 -0.337 -4.569 0.414 200 H ASP 26 HN ASP 26 0.667 -0.156 1.290 201 HA ASP 26 HA ASP 26 1.451 1.795 -0.836 202 1HB ASP 26 HB2 ASP 26 0.059 2.624 1.029 203 2HB ASP 26 HB1 ASP 26 1.281 2.103 2.187 204 H PHE 27 HN PHE 27 3.560 1.852 -1.430 205 HA PHE 27 HA PHE 27 5.629 0.582 0.311 206 1HB PHE 27 HB2 PHE 27 5.521 1.294 -2.620 207 2HB PHE 27 HB1 PHE 27 7.051 0.909 -1.827 208 HD1 PHE 27 HD1 PHE 27 7.339 -1.308 -0.706 209 HD2 PHE 27 HD2 PHE 27 3.958 -0.423 -3.199 210 HE1 PHE 27 HE1 PHE 27 6.885 -3.734 -0.945 211 HE2 PHE 27 HE2 PHE 27 3.505 -2.848 -3.427 212 HZ PHE 27 HZ PHE 27 4.963 -4.504 -2.306 213 H SER 28 HN SER 28 4.386 3.408 0.481 214 HA SER 28 HA SER 28 6.252 5.354 -0.243 215 1HB SER 28 HB2 SER 28 4.647 5.243 2.315 216 2HB SER 28 HB1 SER 28 5.410 6.683 1.653 217 HG SER 28 HG SER 28 3.053 6.104 1.159 218 H ALA 29 HN ALA 29 8.027 6.277 0.720 219 HA ALA 29 HA ALA 29 9.592 4.468 2.445 220 1HB ALA 29 HB1 ALA 29 10.113 6.791 0.666 221 2HB ALA 29 HB3 ALA 29 11.114 6.754 2.118 222 3HB ALA 29 HB2 ALA 29 11.134 5.392 0.998 223 H THR 30 HN THR 30 9.533 4.697 4.635 224 HA THR 30 HA THR 30 7.970 6.768 5.876 225 HB THR 30 HB THR 30 8.344 4.565 6.952 226 HG1 THR 30 HG1 THR 30 8.099 6.679 8.133 227 1HG2 THR 30 HG22 THR 30 10.786 4.488 6.130 228 2HG2 THR 30 HG21 THR 30 11.159 5.474 7.543 229 3HG2 THR 30 HG23 THR 30 10.463 3.868 7.750 230 H TRP 31 HN TRP 31 11.340 6.413 5.028 231 HA TRP 31 HA TRP 31 12.268 8.650 6.658 232 1HB TRP 31 HB2 TRP 31 14.354 8.371 5.381 233 2HB TRP 31 HB1 TRP 31 13.760 6.822 5.979 234 HD1 TRP 31 HD1 TRP 31 12.935 5.062 4.242 235 HE1 TRP 31 HE1 TRP 31 13.119 4.898 1.675 236 HE3 TRP 31 HE3 TRP 31 14.218 9.871 3.159 237 HZ2 TRP 31 HZ2 TRP 31 13.686 6.609 -0.548 238 HZ3 TRP 31 HZ3 TRP 31 14.543 10.590 0.810 239 HH2 TRP 31 HH2 TRP 31 14.278 8.966 -1.041 240 H CYS 32 HN CYS 32 10.687 8.407 3.587 241 HA CYS 32 HA CYS 32 11.761 11.000 2.633 242 1HB CYS 32 HB2 CYS 32 11.184 9.023 1.097 243 2HB CYS 32 HB1 CYS 32 9.494 9.383 1.425 244 H GLY 33 HN GLY 33 10.923 12.817 3.472 245 1HA GLY 33 HA2 GLY 33 8.628 12.913 5.125 246 2HA GLY 33 HA1 GLY 33 9.387 14.321 4.395 247 HA PRO 34 HA PRO 34 6.269 14.921 1.310 248 1HB PRO 34 HB2 PRO 34 7.601 13.322 -0.826 249 2HB PRO 34 HB1 PRO 34 7.086 15.013 -0.845 250 1HG PRO 34 HG2 PRO 34 9.708 14.244 -0.646 251 2HG PRO 34 HG1 PRO 34 9.095 15.773 -0.003 252 1HD PRO 34 HD2 PRO 34 9.983 13.361 1.462 253 2HD PRO 34 HD1 PRO 34 9.787 15.023 2.068 254 H ALA 35 HN ALA 35 7.549 11.606 1.261 255 HA ALA 35 HA ALA 35 5.042 10.448 0.346 256 1HB ALA 35 HB2 ALA 35 7.521 9.542 0.172 257 2HB ALA 35 HB1 ALA 35 7.153 8.829 1.743 258 3HB ALA 35 HB3 ALA 35 6.176 8.418 0.332 259 H LYS 36 HN LYS 36 6.755 10.527 3.494 260 HA LYS 36 HA LYS 36 4.753 9.141 4.979 261 1HB LYS 36 HB2 LYS 36 7.060 9.705 5.818 262 2HB LYS 36 HB1 LYS 36 6.521 11.373 6.019 263 1HG LYS 36 HG2 LYS 36 4.671 10.540 7.498 264 2HG LYS 36 HG1 LYS 36 5.364 8.922 7.383 265 1HD LYS 36 HD2 LYS 36 7.496 9.799 8.305 266 2HD LYS 36 HD1 LYS 36 6.745 11.385 8.482 267 1HE LYS 36 HE2 LYS 36 5.053 10.425 9.996 268 2HE LYS 36 HE1 LYS 36 5.789 8.834 9.815 269 1HZ LYS 36 HZ2 LYS 36 7.708 10.818 10.517 270 2HZ LYS 36 HZ1 LYS 36 6.462 10.732 11.665 271 3HZ LYS 36 HZ3 LYS 36 7.357 9.343 11.281 272 H MET 37 HN MET 37 5.103 12.545 4.130 273 HA MET 37 HA MET 37 3.050 13.609 5.765 274 1HB MET 37 HB2 MET 37 4.725 14.943 4.452 275 2HB MET 37 HB1 MET 37 3.830 14.553 2.987 276 1HG MET 37 HG2 MET 37 3.050 16.709 3.704 277 2HG MET 37 HG1 MET 37 1.778 15.562 4.116 278 1HE MET 37 HE1 MET 37 4.969 17.347 5.326 279 2HE MET 37 HE3 MET 37 3.646 18.521 5.351 280 3HE MET 37 HE2 MET 37 4.430 18.043 6.853 281 H ILE 38 HN ILE 38 2.927 11.783 2.803 282 HA ILE 38 HA ILE 38 0.130 12.399 2.232 283 HB ILE 38 HB ILE 38 2.035 10.335 1.079 284 1HG1 ILE 38 HG12 ILE 38 0.908 12.872 -0.138 285 2HG1 ILE 38 HG11 ILE 38 2.448 12.821 0.715 286 1HG2 ILE 38 HG22 ILE 38 -0.864 10.948 0.514 287 2HG2 ILE 38 HG21 ILE 38 0.191 10.418 -0.794 288 3HG2 ILE 38 HG23 ILE 38 -0.051 9.385 0.612 289 1HD1 ILE 38 HD12 ILE 38 3.136 10.968 -0.865 290 2HD1 ILE 38 HD11 ILE 38 1.692 11.331 -1.801 291 3HD1 ILE 38 HD13 ILE 38 2.949 12.551 -1.604 292 H LYS 39 HN LYS 39 1.536 10.424 4.569 293 HA LYS 39 HA LYS 39 -0.048 8.093 4.282 294 1HB LYS 39 HB2 LYS 39 0.626 7.401 6.408 295 2HB LYS 39 HB1 LYS 39 1.965 8.354 5.807 296 1HG LYS 39 HG2 LYS 39 1.470 10.171 7.254 297 2HG LYS 39 HG1 LYS 39 -0.148 9.579 7.611 298 1HD LYS 39 HD2 LYS 39 2.421 8.186 8.407 299 2HD LYS 39 HD1 LYS 39 1.456 9.204 9.473 300 1HE LYS 39 HE2 LYS 39 0.515 7.187 10.050 301 2HE LYS 39 HE1 LYS 39 -0.473 7.488 8.623 302 1HZ LYS 39 HZ2 LYS 39 1.920 6.349 7.771 303 2HZ LYS 39 HZ1 LYS 39 1.364 5.415 9.078 304 3HZ LYS 39 HZ3 LYS 39 0.364 5.662 7.731 305 HA PRO 40 HA PRO 40 -3.253 10.214 7.301 306 1HB PRO 40 HB2 PRO 40 -3.615 12.723 5.731 307 2HB PRO 40 HB1 PRO 40 -3.584 12.494 7.489 308 1HG PRO 40 HG2 PRO 40 -1.538 13.668 6.197 309 2HG PRO 40 HG1 PRO 40 -1.264 12.616 7.596 310 1HD PRO 40 HD2 PRO 40 -0.875 12.030 4.695 311 2HD PRO 40 HD1 PRO 40 0.103 11.483 6.073 312 H PHE 41 HN PHE 41 -3.240 10.994 3.784 313 HA PHE 41 HA PHE 41 -6.064 10.441 3.489 314 1HB PHE 41 HB2 PHE 41 -3.742 10.668 1.572 315 2HB PHE 41 HB1 PHE 41 -5.311 10.129 1.011 316 HD1 PHE 41 HD2 PHE 41 -3.576 12.913 2.756 317 HD2 PHE 41 HD1 PHE 41 -7.074 11.629 0.616 318 HE1 PHE 41 HE2 PHE 41 -4.374 15.263 2.657 319 HE2 PHE 41 HE1 PHE 41 -7.882 13.979 0.529 320 HZ PHE 41 HZ PHE 41 -6.528 15.792 1.545 321 H PHE 42 HN PHE 42 -3.144 8.510 2.735 322 HA PHE 42 HA PHE 42 -4.521 6.147 1.916 323 1HB PHE 42 HB2 PHE 42 -2.118 6.489 1.531 324 2HB PHE 42 HB1 PHE 42 -1.815 6.453 3.269 325 HD1 PHE 42 HD1 PHE 42 -3.148 4.422 0.437 326 HD2 PHE 42 HD2 PHE 42 -1.521 4.386 4.419 327 HE1 PHE 42 HE1 PHE 42 -3.027 1.947 0.370 328 HE2 PHE 42 HE2 PHE 42 -1.394 1.911 4.342 329 HZ PHE 42 HZ PHE 42 -2.150 0.688 2.319 330 H HIS 43 HN HIS 43 -3.175 7.033 5.073 331 HA HIS 43 HA HIS 43 -4.149 4.724 6.459 332 1HB HIS 43 HB2 HIS 43 -2.263 6.105 7.238 333 2HB HIS 43 HB1 HIS 43 -3.351 7.471 7.486 334 HD1 HIS 43 HD1 HIS 43 -2.253 4.248 8.979 335 HD2 HIS 43 HD2 HIS 43 -5.148 7.149 9.700 336 HE1 HIS 43 HE1 HIS 43 -3.228 3.731 11.259 337 H SER 44 HN SER 44 -5.496 8.004 6.032 338 HA SER 44 HA SER 44 -7.691 7.680 7.831 339 1HB SER 44 HB2 SER 44 -7.445 9.432 5.374 340 2HB SER 44 HB1 SER 44 -8.762 9.527 6.537 341 HG SER 44 HG SER 44 -6.326 9.486 7.738 342 H LEU 45 HN LEU 45 -7.385 6.923 4.375 343 HA LEU 45 HA LEU 45 -10.115 6.368 3.902 344 1HB LEU 45 HB2 LEU 45 -7.625 5.218 2.662 345 2HB LEU 45 HB1 LEU 45 -9.231 4.831 2.076 346 HG LEU 45 HG LEU 45 -8.338 7.704 2.382 347 1HD1 LEU 45 HD12 LEU 45 -7.909 5.857 0.016 348 2HD1 LEU 45 HD11 LEU 45 -7.769 7.616 -0.064 349 3HD1 LEU 45 HD13 LEU 45 -6.665 6.687 0.952 350 1HD2 LEU 45 HD23 LEU 45 -10.463 6.261 0.765 351 2HD2 LEU 45 HD22 LEU 45 -10.700 7.497 2.001 352 3HD2 LEU 45 HD21 LEU 45 -9.997 7.930 0.448 353 H SER 46 HN SER 46 -7.729 4.513 5.646 354 HA SER 46 HA SER 46 -8.765 1.918 5.381 355 1HB SER 46 HB2 SER 46 -7.776 3.215 7.934 356 2HB SER 46 HB1 SER 46 -7.930 1.485 7.663 357 HG SER 46 HG SER 46 -6.561 2.259 5.649 358 H GLU 47 HN GLU 47 -9.917 4.581 7.409 359 HA GLU 47 HA GLU 47 -12.114 2.954 8.481 360 1HB GLU 47 HB2 GLU 47 -11.413 5.901 8.694 361 2HB GLU 47 HB1 GLU 47 -12.829 5.182 9.460 362 1HG GLU 47 HG2 GLU 47 -11.100 5.186 11.121 363 2HG GLU 47 HG1 GLU 47 -11.240 3.519 10.559 364 H LYS 48 HN LYS 48 -11.543 4.886 5.662 365 HA LYS 48 HA LYS 48 -14.334 5.616 5.242 366 1HB LYS 48 HB2 LYS 48 -12.435 6.876 4.175 367 2HB LYS 48 HB1 LYS 48 -12.096 5.446 3.199 368 1HG LYS 48 HG2 LYS 48 -13.441 6.980 1.885 369 2HG LYS 48 HG1 LYS 48 -14.413 5.566 2.278 370 1HD LYS 48 HD2 LYS 48 -15.738 6.732 3.817 371 2HD LYS 48 HD1 LYS 48 -14.510 7.967 4.097 372 1HE LYS 48 HE2 LYS 48 -14.903 8.886 1.852 373 2HE LYS 48 HE1 LYS 48 -16.081 7.617 1.524 374 1HZ LYS 48 HZ3 LYS 48 -17.164 8.517 3.689 375 2HZ LYS 48 HZ2 LYS 48 -16.284 9.927 3.328 376 3HZ LYS 48 HZ1 LYS 48 -17.420 9.321 2.218 377 H TYR 49 HN TYR 49 -12.142 3.053 4.281 378 HA TYR 49 HA TYR 49 -14.504 1.461 3.312 379 1HB TYR 49 HB2 TYR 49 -11.664 1.449 2.213 380 2HB TYR 49 HB1 TYR 49 -12.946 0.340 1.720 381 HD1 TYR 49 HD2 TYR 49 -15.068 1.283 0.694 382 HD2 TYR 49 HD1 TYR 49 -11.539 3.657 1.313 383 HE1 TYR 49 HE2 TYR 49 -15.929 2.980 -0.896 384 HE2 TYR 49 HE1 TYR 49 -12.405 5.352 -0.276 385 HH TYR 49 HH TYR 49 -15.621 5.019 -1.749 386 H SER 50 HN SER 50 -14.355 1.085 5.743 387 HA SER 50 HA SER 50 -12.210 -0.372 6.917 388 1HB SER 50 HB2 SER 50 -13.742 -0.813 8.714 389 2HB SER 50 HB1 SER 50 -14.121 0.790 8.109 390 HG SER 50 HG SER 50 -15.747 -1.248 8.318 391 H ASN 51 HN ASN 51 -14.371 -1.242 4.498 392 HA ASN 51 HA ASN 51 -14.342 -4.136 5.131 393 1HB ASN 51 HB2 ASN 51 -16.369 -2.929 4.161 394 2HB ASN 51 HB1 ASN 51 -15.451 -2.783 2.664 395 1HD2 ASN 51 HD22 ASN 51 -16.151 -6.084 1.679 396 2HD2 ASN 51 HD21 ASN 51 -15.594 -4.539 1.251 397 H VAL 52 HN VAL 52 -12.105 -2.131 4.095 398 HA VAL 52 HA VAL 52 -10.943 -4.058 2.132 399 HB VAL 52 HB VAL 52 -10.877 -1.028 2.089 400 1HG1 VAL 52 HG13 VAL 52 -9.091 -3.073 0.795 401 2HG1 VAL 52 HG12 VAL 52 -9.493 -1.612 -0.105 402 3HG1 VAL 52 HG11 VAL 52 -8.683 -1.494 1.454 403 1HG2 VAL 52 HG21 VAL 52 -11.858 -3.138 0.141 404 2HG2 VAL 52 HG23 VAL 52 -12.857 -2.019 1.067 405 3HG2 VAL 52 HG22 VAL 52 -11.800 -1.410 -0.206 406 H ILE 53 HN ILE 53 -8.722 -4.474 2.472 407 HA ILE 53 HA ILE 53 -7.720 -3.548 5.141 408 HB ILE 53 HB ILE 53 -6.588 -5.714 3.351 409 1HG1 ILE 53 HG12 ILE 53 -8.884 -6.323 3.825 410 2HG1 ILE 53 HG11 ILE 53 -7.843 -7.281 4.874 411 1HG2 ILE 53 HG23 ILE 53 -5.249 -4.659 5.298 412 2HG2 ILE 53 HG22 ILE 53 -6.393 -5.477 6.356 413 3HG2 ILE 53 HG21 ILE 53 -5.383 -6.415 5.257 414 1HD1 ILE 53 HD12 ILE 53 -8.210 -5.409 6.627 415 2HD1 ILE 53 HD11 ILE 53 -9.551 -4.900 5.599 416 3HD1 ILE 53 HD13 ILE 53 -9.549 -6.512 6.312 417 H PHE 54 HN PHE 54 -6.236 -1.938 5.175 418 HA PHE 54 HA PHE 54 -4.665 -1.362 2.689 419 1HB PHE 54 HB2 PHE 54 -5.207 0.329 5.156 420 2HB PHE 54 HB1 PHE 54 -4.176 0.825 3.815 421 HD1 PHE 54 HD1 PHE 54 -7.650 -0.316 4.606 422 HD2 PHE 54 HD2 PHE 54 -5.119 1.863 1.909 423 HE1 PHE 54 HE1 PHE 54 -9.649 0.503 3.383 424 HE2 PHE 54 HE2 PHE 54 -7.117 2.672 0.682 425 HZ PHE 54 HZ PHE 54 -9.379 1.990 1.421 426 H LEU 55 HN LEU 55 -2.529 -1.910 2.693 427 HA LEU 55 HA LEU 55 -1.209 -2.571 5.304 428 1HB LEU 55 HB2 LEU 55 -0.742 -3.590 2.492 429 2HB LEU 55 HB1 LEU 55 0.478 -3.782 3.751 430 HG LEU 55 HG LEU 55 -0.925 -5.205 5.033 431 1HD1 LEU 55 HD12 LEU 55 -3.177 -4.182 3.304 432 2HD1 LEU 55 HD11 LEU 55 -3.331 -5.646 4.271 433 3HD1 LEU 55 HD13 LEU 55 -3.010 -4.108 5.063 434 1HD2 LEU 55 HD21 LEU 55 -0.012 -6.162 2.871 435 2HD2 LEU 55 HD23 LEU 55 -1.398 -7.023 3.539 436 3HD2 LEU 55 HD22 LEU 55 -1.615 -5.928 2.178 437 H GLU 56 HN GLU 56 0.739 -1.604 5.795 438 HA GLU 56 HA GLU 56 1.686 0.551 3.931 439 1HB GLU 56 HB2 GLU 56 0.868 1.244 6.256 440 2HB GLU 56 HB1 GLU 56 2.240 0.346 6.905 441 1HG GLU 56 HG2 GLU 56 3.757 1.717 5.443 442 2HG GLU 56 HG1 GLU 56 2.355 2.687 4.984 443 H VAL 57 HN VAL 57 3.723 0.243 3.119 444 HA VAL 57 HA VAL 57 5.444 -1.858 4.412 445 HB VAL 57 HB VAL 57 5.124 -1.334 1.448 446 1HG1 VAL 57 HG11 VAL 57 6.603 -3.430 3.048 447 2HG1 VAL 57 HG13 VAL 57 6.358 -3.498 1.307 448 3HG1 VAL 57 HG12 VAL 57 7.316 -2.197 2.005 449 1HG2 VAL 57 HG23 VAL 57 4.038 -3.546 3.200 450 2HG2 VAL 57 HG22 VAL 57 3.086 -2.310 2.386 451 3HG2 VAL 57 HG21 VAL 57 3.956 -3.520 1.442 452 H ASP 58 HN ASP 58 7.482 -1.210 4.827 453 HA ASP 58 HA ASP 58 8.367 1.491 3.925 454 1HB ASP 58 HB2 ASP 58 8.451 0.758 6.349 455 2HB ASP 58 HB1 ASP 58 9.699 -0.397 5.869 456 H VAL 59 HN VAL 59 9.676 1.576 2.117 457 HA VAL 59 HA VAL 59 10.848 -0.834 0.995 458 HB VAL 59 HB VAL 59 12.056 0.740 -0.516 459 1HG1 VAL 59 HG11 VAL 59 9.125 1.339 -0.017 460 2HG1 VAL 59 HG13 VAL 59 10.003 1.823 -1.466 461 3HG1 VAL 59 HG12 VAL 59 9.782 0.114 -1.101 462 1HG2 VAL 59 HG21 VAL 59 10.795 2.856 1.253 463 2HG2 VAL 59 HG23 VAL 59 12.519 2.530 1.083 464 3HG2 VAL 59 HG22 VAL 59 11.606 3.174 -0.281 465 H ASP 60 HN ASP 60 11.766 1.271 3.538 466 HA ASP 60 HA ASP 60 14.647 0.573 3.291 467 1HB ASP 60 HB2 ASP 60 13.041 2.463 4.995 468 2HB ASP 60 HB1 ASP 60 14.683 2.040 5.445 469 H ASP 61 HN ASP 61 11.964 0.066 5.641 470 HA ASP 61 HA ASP 61 13.722 -1.841 7.132 471 1HB ASP 61 HB2 ASP 61 10.928 -0.805 7.752 472 2HB ASP 61 HB1 ASP 61 11.880 -1.870 8.793 473 H ALA 62 HN ALA 62 11.212 -1.729 4.823 474 HA ALA 62 HA ALA 62 10.776 -4.684 5.064 475 1HB ALA 62 HB3 ALA 62 8.805 -2.915 5.415 476 2HB ALA 62 HB2 ALA 62 8.792 -2.925 3.653 477 3HB ALA 62 HB1 ALA 62 8.524 -4.422 4.542 478 H GLN 63 HN GLN 63 12.923 -3.386 3.738 479 HA GLN 63 HA GLN 63 12.545 -2.952 0.970 480 1HB GLN 63 HB2 GLN 63 14.952 -3.221 0.788 481 2HB GLN 63 HB1 GLN 63 14.596 -2.368 2.284 482 1HG GLN 63 HG2 GLN 63 15.150 -5.345 2.086 483 2HG GLN 63 HG1 GLN 63 16.305 -4.126 2.607 484 1HE2 GLN 63 HE22 GLN 63 15.000 -3.883 5.871 485 2HE2 GLN 63 HE21 GLN 63 16.153 -3.327 4.756 486 H ASP 64 HN ASP 64 12.652 -5.927 2.783 487 HA ASP 64 HA ASP 64 13.356 -7.645 0.593 488 1HB ASP 64 HB2 ASP 64 12.246 -9.434 2.018 489 2HB ASP 64 HB1 ASP 64 13.528 -8.531 2.819 490 H VAL 65 HN VAL 65 10.340 -6.286 1.777 491 HA VAL 65 HA VAL 65 8.640 -7.827 0.012 492 HB VAL 65 HB VAL 65 8.012 -5.101 1.176 493 1HG1 VAL 65 HG11 VAL 65 6.336 -7.554 0.562 494 2HG1 VAL 65 HG13 VAL 65 5.727 -6.054 1.263 495 3HG1 VAL 65 HG12 VAL 65 6.373 -6.059 -0.378 496 1HG2 VAL 65 HG23 VAL 65 8.203 -7.777 2.541 497 2HG2 VAL 65 HG22 VAL 65 8.811 -6.220 3.082 498 3HG2 VAL 65 HG21 VAL 65 7.081 -6.555 3.122 499 H ALA 66 HN ALA 66 10.037 -4.547 -0.058 500 HA ALA 66 HA ALA 66 8.837 -3.824 -2.571 501 1HB ALA 66 HB1 ALA 66 9.860 -2.308 -0.716 502 2HB ALA 66 HB3 ALA 66 11.385 -2.585 -1.556 503 3HB ALA 66 HB2 ALA 66 10.034 -1.826 -2.401 504 H SER 67 HN SER 67 12.050 -5.159 -1.736 505 HA SER 67 HA SER 67 13.142 -4.933 -4.369 506 1HB SER 67 HB2 SER 67 14.757 -6.629 -3.666 507 2HB SER 67 HB1 SER 67 14.491 -5.490 -2.352 508 HG SER 67 HG SER 67 14.195 -8.096 -2.302 509 H GLU 68 HN GLU 68 11.015 -7.312 -2.900 510 HA GLU 68 HA GLU 68 11.202 -9.332 -4.920 511 1HB GLU 68 HB2 GLU 68 10.091 -9.608 -2.675 512 2HB GLU 68 HB1 GLU 68 8.763 -8.606 -3.264 513 1HG GLU 68 HG2 GLU 68 8.476 -10.239 -5.166 514 2HG GLU 68 HG1 GLU 68 9.661 -11.280 -4.375 515 H ALA 69 HN ALA 69 9.227 -6.417 -4.605 516 HA ALA 69 HA ALA 69 7.827 -6.981 -7.134 517 1HB ALA 69 HB1 ALA 69 6.617 -5.997 -5.212 518 2HB ALA 69 HB3 ALA 69 7.655 -4.575 -5.311 519 3HB ALA 69 HB2 ALA 69 6.559 -4.960 -6.639 520 H GLU 70 HN GLU 70 10.839 -5.782 -6.490 521 HA GLU 70 HA GLU 70 12.293 -4.394 -7.707 522 1HB GLU 70 HB2 GLU 70 10.295 -5.039 -9.898 523 2HB GLU 70 HB1 GLU 70 11.846 -4.250 -10.160 524 1HG GLU 70 HG2 GLU 70 12.231 -6.545 -10.604 525 2HG GLU 70 HG1 GLU 70 12.904 -6.263 -9.001 526 H VAL 71 HN VAL 71 10.635 -2.879 -6.128 527 HA VAL 71 HA VAL 71 9.032 -0.992 -7.575 528 HB VAL 71 HB VAL 71 10.534 -0.491 -4.981 529 1HG1 VAL 71 HG12 VAL 71 8.121 0.755 -6.338 530 2HG1 VAL 71 HG11 VAL 71 8.490 1.012 -4.635 531 3HG1 VAL 71 HG13 VAL 71 9.630 1.542 -5.878 532 1HG2 VAL 71 HG21 VAL 71 7.874 -1.852 -5.561 533 2HG2 VAL 71 HG23 VAL 71 9.242 -2.500 -4.657 534 3HG2 VAL 71 HG22 VAL 71 8.275 -1.193 -3.975 535 H LYS 72 HN LYS 72 9.620 0.791 -8.746 536 HA LYS 72 HA LYS 72 12.529 1.419 -8.903 537 1HB LYS 72 HB2 LYS 72 10.265 2.112 -10.792 538 2HB LYS 72 HB1 LYS 72 11.970 2.465 -11.060 539 1HG LYS 72 HG2 LYS 72 11.049 -0.373 -10.556 540 2HG LYS 72 HG1 LYS 72 10.970 0.330 -12.170 541 1HD LYS 72 HD2 LYS 72 13.402 0.828 -12.055 542 2HD LYS 72 HD1 LYS 72 13.468 0.054 -10.472 543 1HE LYS 72 HE2 LYS 72 12.675 -2.058 -11.444 544 2HE LYS 72 HE1 LYS 72 12.564 -1.297 -13.031 545 1HZ LYS 72 HZ2 LYS 72 15.121 -0.886 -11.862 546 2HZ LYS 72 HZ1 LYS 72 14.760 -2.543 -11.953 547 3HZ LYS 72 HZ3 LYS 72 14.722 -1.591 -13.356 548 H ALA 73 HN ALA 73 9.571 2.686 -7.675 549 HA ALA 73 HA ALA 73 10.955 5.100 -6.806 550 1HB ALA 73 HB3 ALA 73 10.113 5.467 -9.254 551 2HB ALA 73 HB2 ALA 73 8.532 5.649 -8.496 552 3HB ALA 73 HB1 ALA 73 9.855 6.731 -8.054 553 H THR 74 HN THR 74 9.669 6.386 -5.313 554 HA THR 74 HA THR 74 7.175 5.055 -4.315 555 HB THR 74 HB THR 74 7.912 5.415 -2.024 556 HG1 THR 74 HG1 THR 74 10.139 6.321 -1.853 557 1HG2 THR 74 HG23 THR 74 10.139 4.300 -3.712 558 2HG2 THR 74 HG22 THR 74 10.068 4.162 -1.960 559 3HG2 THR 74 HG21 THR 74 8.830 3.397 -2.958 560 HA PRO 75 HA PRO 75 5.810 5.736 -2.477 561 1HB PRO 75 HB2 PRO 75 3.245 6.773 -2.498 562 2HB PRO 75 HB1 PRO 75 4.489 7.214 -1.324 563 1HG PRO 75 HG2 PRO 75 3.450 8.775 -3.621 564 2HG PRO 75 HG1 PRO 75 4.200 9.341 -2.123 565 1HD PRO 75 HD2 PRO 75 5.452 9.186 -4.671 566 2HD PRO 75 HD1 PRO 75 6.273 9.474 -3.112 567 H THR 76 HN THR 76 4.882 3.869 -3.209 568 HA THR 76 HA THR 76 3.449 3.937 -5.841 569 HB THR 76 HB THR 76 5.346 1.791 -4.854 570 HG1 THR 76 HG1 THR 76 6.151 2.594 -7.110 571 1HG2 THR 76 HG21 THR 76 3.536 1.977 -7.257 572 2HG2 THR 76 HG23 THR 76 4.933 0.906 -7.217 573 3HG2 THR 76 HG22 THR 76 3.623 0.687 -6.059 574 H PHE 77 HN PHE 77 1.596 2.803 -5.905 575 HA PHE 77 HA PHE 77 0.741 1.406 -3.395 576 1HB PHE 77 HB2 PHE 77 -0.935 2.848 -5.475 577 2HB PHE 77 HB1 PHE 77 -1.556 2.044 -4.032 578 HD1 PHE 77 HD1 PHE 77 -0.959 2.914 -1.755 579 HD2 PHE 77 HD2 PHE 77 0.116 4.996 -5.357 580 HE1 PHE 77 HE1 PHE 77 -0.514 4.966 -0.435 581 HE2 PHE 77 HE2 PHE 77 0.561 7.051 -4.033 582 HZ PHE 77 HZ PHE 77 0.247 7.038 -1.572 583 H GLN 78 HN GLN 78 0.248 -0.724 -3.622 584 HA GLN 78 HA GLN 78 -0.244 -1.774 -6.391 585 1HB GLN 78 HB2 GLN 78 1.325 -3.032 -4.138 586 2HB GLN 78 HB1 GLN 78 0.803 -3.911 -5.574 587 1HG GLN 78 HG2 GLN 78 2.000 -2.203 -6.967 588 2HG GLN 78 HG1 GLN 78 2.641 -1.502 -5.482 589 1HE2 GLN 78 HE22 GLN 78 5.370 -3.728 -5.963 590 2HE2 GLN 78 HE21 GLN 78 4.860 -2.110 -6.008 591 H PHE 79 HN PHE 79 -1.903 -3.180 -6.598 592 HA PHE 79 HA PHE 79 -3.638 -3.533 -4.172 593 1HB PHE 79 HB2 PHE 79 -4.297 -3.541 -7.124 594 2HB PHE 79 HB1 PHE 79 -5.458 -3.859 -5.829 595 HD1 PHE 79 HD2 PHE 79 -3.013 -1.350 -7.096 596 HD2 PHE 79 HD1 PHE 79 -6.445 -2.068 -4.628 597 HE1 PHE 79 HE2 PHE 79 -3.266 1.086 -6.742 598 HE2 PHE 79 HE1 PHE 79 -6.705 0.366 -4.267 599 HZ PHE 79 HZ PHE 79 -5.117 1.949 -5.327 600 H PHE 80 HN PHE 80 -4.200 -5.507 -3.518 601 HA PHE 80 HA PHE 80 -3.465 -7.849 -5.208 602 1HB PHE 80 HB2 PHE 80 -2.919 -7.420 -2.271 603 2HB PHE 80 HB1 PHE 80 -2.879 -9.010 -3.030 604 HD1 PHE 80 HD2 PHE 80 -1.257 -5.677 -2.883 605 HD2 PHE 80 HD1 PHE 80 -1.146 -9.626 -4.586 606 HE1 PHE 80 HE2 PHE 80 1.055 -5.282 -3.670 607 HE2 PHE 80 HE1 PHE 80 1.171 -9.221 -5.373 608 HZ PHE 80 HZ PHE 80 2.271 -7.044 -4.915 609 H LYS 81 HN LYS 81 -4.865 -9.622 -5.041 610 HA LYS 81 HA LYS 81 -7.157 -9.435 -3.171 611 1HB LYS 81 HB2 LYS 81 -7.654 -8.227 -5.440 612 2HB LYS 81 HB1 LYS 81 -7.711 -9.854 -6.116 613 1HG LYS 81 HG2 LYS 81 -9.413 -10.466 -4.386 614 2HG LYS 81 HG1 LYS 81 -9.412 -8.788 -3.845 615 1HD LYS 81 HD2 LYS 81 -9.961 -8.150 -6.260 616 2HD LYS 81 HD1 LYS 81 -10.279 -9.862 -6.533 617 1HE LYS 81 HE2 LYS 81 -11.930 -9.832 -4.681 618 2HE LYS 81 HE1 LYS 81 -11.643 -8.102 -4.478 619 1HZ LYS 81 HZ2 LYS 81 -12.325 -7.791 -6.804 620 2HZ LYS 81 HZ1 LYS 81 -12.697 -9.446 -6.911 621 3HZ LYS 81 HZ3 LYS 81 -13.570 -8.449 -5.851 622 H LYS 82 HN LYS 82 -7.389 -11.452 -2.366 623 HA LYS 82 HA LYS 82 -7.205 -13.778 -2.139 624 1HB LYS 82 HB2 LYS 82 -7.376 -13.729 -5.182 625 2HB LYS 82 HB1 LYS 82 -7.485 -15.168 -4.178 626 1HG LYS 82 HG2 LYS 82 -9.404 -13.996 -2.972 627 2HG LYS 82 HG1 LYS 82 -9.412 -12.847 -4.308 628 1HD LYS 82 HD2 LYS 82 -9.559 -14.888 -5.852 629 2HD LYS 82 HD1 LYS 82 -9.918 -15.827 -4.403 630 1HE LYS 82 HE2 LYS 82 -11.866 -14.421 -3.937 631 2HE LYS 82 HE1 LYS 82 -11.481 -13.397 -5.323 632 1HZ LYS 82 HZ3 LYS 82 -11.520 -15.790 -6.474 633 2HZ LYS 82 HZ2 LYS 82 -12.663 -16.049 -5.243 634 3HZ LYS 82 HZ1 LYS 82 -12.885 -14.790 -6.366 635 H GLY 83 HN GLY 83 -4.833 -12.019 -2.442 636 1HA GLY 83 HA2 GLY 83 -2.514 -12.428 -2.346 637 2HA GLY 83 HA1 GLY 83 -2.837 -14.117 -2.739 638 H GLN 84 HN GLN 84 -4.338 -11.878 -4.865 639 HA GLN 84 HA GLN 84 -2.234 -12.402 -6.937 640 1HB GLN 84 HB2 GLN 84 -5.197 -11.884 -7.333 641 2HB GLN 84 HB1 GLN 84 -4.036 -12.259 -8.599 642 1HG GLN 84 HG2 GLN 84 -4.732 -14.109 -6.300 643 2HG GLN 84 HG1 GLN 84 -5.387 -14.239 -7.930 644 1HE2 GLN 84 HE22 GLN 84 -1.459 -15.223 -7.280 645 2HE2 GLN 84 HE21 GLN 84 -2.259 -14.193 -6.194 646 H LYS 85 HN LYS 85 -1.321 -10.644 -7.952 647 HA LYS 85 HA LYS 85 -2.064 -7.942 -7.055 648 1HB LYS 85 HB2 LYS 85 0.308 -8.574 -7.538 649 2HB LYS 85 HB1 LYS 85 -0.127 -8.802 -9.231 650 1HG LYS 85 HG2 LYS 85 -0.867 -6.427 -9.337 651 2HG LYS 85 HG1 LYS 85 -0.368 -6.215 -7.665 652 1HD LYS 85 HD2 LYS 85 1.502 -5.427 -8.835 653 2HD LYS 85 HD1 LYS 85 1.955 -7.098 -8.507 654 1HE LYS 85 HE2 LYS 85 1.273 -7.765 -10.754 655 2HE LYS 85 HE1 LYS 85 0.657 -6.147 -11.085 656 1HZ LYS 85 HZ2 LYS 85 3.480 -6.787 -10.429 657 2HZ LYS 85 HZ1 LYS 85 2.886 -6.530 -11.999 658 3HZ LYS 85 HZ3 LYS 85 2.864 -5.266 -10.868 659 H VAL 86 HN VAL 86 -3.620 -6.746 -8.037 660 HA VAL 86 HA VAL 86 -4.338 -7.391 -10.877 661 HB VAL 86 HB VAL 86 -6.667 -6.724 -10.262 662 1HG1 VAL 86 HG11 VAL 86 -5.730 -9.133 -10.203 663 2HG1 VAL 86 HG13 VAL 86 -5.709 -8.951 -8.449 664 3HG1 VAL 86 HG12 VAL 86 -7.233 -8.835 -9.330 665 1HG2 VAL 86 HG23 VAL 86 -6.023 -5.355 -8.279 666 2HG2 VAL 86 HG22 VAL 86 -7.245 -6.565 -7.883 667 3HG2 VAL 86 HG21 VAL 86 -5.559 -6.834 -7.439 668 H GLY 87 HN GLY 87 -2.765 -5.086 -9.199 669 1HA GLY 87 HA2 GLY 87 -3.175 -3.085 -11.202 670 2HA GLY 87 HA1 GLY 87 -4.183 -2.679 -9.817 671 H GLU 88 HN GLU 88 -1.898 -1.195 -10.867 672 HA GLU 88 HA GLU 88 -0.528 -0.674 -8.363 673 1HB GLU 88 HB2 GLU 88 0.838 -2.563 -8.971 674 2HB GLU 88 HB1 GLU 88 0.982 -1.998 -10.629 675 1HG GLU 88 HG2 GLU 88 1.978 -0.307 -8.332 676 2HG GLU 88 HG1 GLU 88 2.977 -1.599 -8.998 677 H PHE 89 HN PHE 89 0.544 1.333 -8.410 678 HA PHE 89 HA PHE 89 1.133 2.646 -10.918 679 1HB PHE 89 HB2 PHE 89 -0.455 4.437 -10.897 680 2HB PHE 89 HB1 PHE 89 -1.365 2.936 -10.807 681 HD1 PHE 89 HD1 PHE 89 -0.055 5.776 -8.822 682 HD2 PHE 89 HD2 PHE 89 -2.776 2.462 -8.915 683 HE1 PHE 89 HE1 PHE 89 -1.164 6.639 -6.776 684 HE2 PHE 89 HE2 PHE 89 -3.887 3.319 -6.860 685 HZ PHE 89 HZ PHE 89 -3.084 5.413 -5.792 686 H SER 90 HN SER 90 2.028 4.845 -10.556 687 HA SER 90 HA SER 90 3.022 5.209 -7.746 688 1HB SER 90 HB2 SER 90 5.133 6.032 -8.698 689 2HB SER 90 HB1 SER 90 4.835 4.366 -9.200 690 HG SER 90 HG SER 90 5.154 5.231 -11.114 691 H GLY 91 HN GLY 91 3.617 7.410 -7.247 692 1HA GLY 91 HA2 GLY 91 3.613 9.787 -8.086 693 2HA GLY 91 HA1 GLY 91 2.067 9.425 -8.846 694 H ALA 92 HN ALA 92 2.912 11.313 -6.591 695 HA ALA 92 HA ALA 92 1.563 10.279 -4.228 696 1HB ALA 92 HB2 ALA 92 2.649 12.952 -5.098 697 2HB ALA 92 HB1 ALA 92 1.713 12.809 -3.611 698 3HB ALA 92 HB3 ALA 92 3.217 11.906 -3.801 699 H ASN 93 HN ASN 93 -0.382 9.693 -5.795 700 HA ASN 93 HA ASN 93 -2.310 11.999 -5.846 701 1HB ASN 93 HB2 ASN 93 -1.599 11.061 -8.099 702 2HB ASN 93 HB1 ASN 93 -2.382 9.552 -7.626 703 1HD2 ASN 93 HD22 ASN 93 -5.284 12.292 -7.341 704 2HD2 ASN 93 HD21 ASN 93 -4.058 12.107 -6.185 705 H LYS 94 HN LYS 94 -3.149 11.522 -3.736 706 HA LYS 94 HA LYS 94 -3.930 8.880 -2.893 707 1HB LYS 94 HB2 LYS 94 -5.290 10.119 -1.203 708 2HB LYS 94 HB1 LYS 94 -3.578 10.530 -1.215 709 1HG LYS 94 HG2 LYS 94 -5.147 12.235 -3.046 710 2HG LYS 94 HG1 LYS 94 -5.714 12.354 -1.388 711 1HD LYS 94 HD2 LYS 94 -3.410 12.835 -0.633 712 2HD LYS 94 HD1 LYS 94 -2.854 12.744 -2.307 713 1HE LYS 94 HE2 LYS 94 -3.212 15.060 -1.822 714 2HE LYS 94 HE1 LYS 94 -4.546 14.541 -2.847 715 1HZ LYS 94 HZ1 LYS 94 -4.759 14.461 0.090 716 2HZ LYS 94 HZ3 LYS 94 -5.088 15.886 -0.770 717 3HZ LYS 94 HZ2 LYS 94 -6.002 14.485 -1.067 718 H GLU 95 HN GLU 95 -5.662 11.431 -4.643 719 HA GLU 95 HA GLU 95 -8.283 10.377 -4.273 720 1HB GLU 95 HB2 GLU 95 -7.100 11.942 -6.588 721 2HB GLU 95 HB1 GLU 95 -8.823 11.664 -6.345 722 1HG GLU 95 HG2 GLU 95 -7.034 12.980 -4.290 723 2HG GLU 95 HG1 GLU 95 -8.014 13.880 -5.451 724 H LYS 96 HN LYS 96 -5.669 9.532 -6.400 725 HA LYS 96 HA LYS 96 -7.063 7.966 -8.313 726 1HB LYS 96 HB2 LYS 96 -4.638 8.729 -8.319 727 2HB LYS 96 HB1 LYS 96 -4.304 7.409 -7.214 728 1HG LYS 96 HG2 LYS 96 -4.843 5.756 -8.802 729 2HG LYS 96 HG1 LYS 96 -5.692 6.902 -9.841 730 1HD LYS 96 HD2 LYS 96 -3.590 8.040 -10.359 731 2HD LYS 96 HD1 LYS 96 -2.715 6.958 -9.276 732 1HE LYS 96 HE2 LYS 96 -3.457 5.025 -10.674 733 2HE LYS 96 HE1 LYS 96 -4.223 6.160 -11.785 734 1HZ LYS 96 HZ1 LYS 96 -1.433 6.643 -11.098 735 2HZ LYS 96 HZ3 LYS 96 -1.754 5.319 -12.108 736 3HZ LYS 96 HZ2 LYS 96 -2.249 6.879 -12.569 737 H LEU 97 HN LEU 97 -5.852 7.240 -5.082 738 HA LEU 97 HA LEU 97 -6.175 4.415 -5.090 739 1HB LEU 97 HB2 LEU 97 -6.530 6.468 -2.890 740 2HB LEU 97 HB1 LEU 97 -6.574 4.741 -2.596 741 HG LEU 97 HG LEU 97 -4.222 6.146 -3.890 742 1HD1 LEU 97 HD11 LEU 97 -4.712 5.396 -0.990 743 2HD1 LEU 97 HD13 LEU 97 -3.171 5.957 -1.632 744 3HD1 LEU 97 HD12 LEU 97 -4.569 7.030 -1.628 745 1HD2 LEU 97 HD22 LEU 97 -4.766 3.361 -2.830 746 2HD2 LEU 97 HD21 LEU 97 -4.062 3.833 -4.375 747 3HD2 LEU 97 HD23 LEU 97 -3.123 3.985 -2.896 748 H GLU 98 HN GLU 98 -8.392 7.058 -4.454 749 HA GLU 98 HA GLU 98 -10.583 5.501 -3.504 750 1HB GLU 98 HB2 GLU 98 -10.410 7.988 -3.352 751 2HB GLU 98 HB1 GLU 98 -10.735 8.088 -5.080 752 1HG GLU 98 HG2 GLU 98 -12.603 6.637 -3.204 753 2HG GLU 98 HG1 GLU 98 -12.742 8.371 -3.482 754 H ALA 99 HN ALA 99 -9.747 6.487 -6.827 755 HA ALA 99 HA ALA 99 -12.110 5.316 -7.980 756 1HB ALA 99 HB1 ALA 99 -9.428 6.044 -9.180 757 2HB ALA 99 HB3 ALA 99 -10.790 5.458 -10.138 758 3HB ALA 99 HB2 ALA 99 -10.923 6.978 -9.251 759 H THR 100 HN THR 100 -8.789 4.056 -7.616 760 HA THR 100 HA THR 100 -9.325 1.620 -9.026 761 HB THR 100 HB THR 100 -7.266 2.064 -6.845 762 HG1 THR 100 HG1 THR 100 -7.019 2.397 -9.648 763 1HG2 THR 100 HG22 THR 100 -7.576 0.084 -9.111 764 2HG2 THR 100 HG21 THR 100 -6.040 0.359 -8.294 765 3HG2 THR 100 HG23 THR 100 -7.422 -0.259 -7.388 766 H ILE 101 HN ILE 101 -9.569 2.470 -5.589 767 HA ILE 101 HA ILE 101 -10.181 -0.165 -4.610 768 HB ILE 101 HB ILE 101 -10.965 2.606 -3.639 769 1HG1 ILE 101 HG12 ILE 101 -9.045 0.638 -2.372 770 2HG1 ILE 101 HG11 ILE 101 -8.513 1.752 -3.630 771 1HG2 ILE 101 HG23 ILE 101 -11.462 -0.121 -2.415 772 2HG2 ILE 101 HG22 ILE 101 -11.457 1.361 -1.460 773 3HG2 ILE 101 HG21 ILE 101 -12.640 1.147 -2.750 774 1HD1 ILE 101 HD12 ILE 101 -9.409 3.645 -2.247 775 2HD1 ILE 101 HD11 ILE 101 -9.756 2.485 -0.966 776 3HD1 ILE 101 HD13 ILE 101 -8.091 2.774 -1.468 777 H ASN 102 HN ASN 102 -12.264 2.542 -5.627 778 HA ASN 102 HA ASN 102 -14.743 1.168 -5.385 779 1HB ASN 102 HB2 ASN 102 -14.512 3.636 -5.715 780 2HB ASN 102 HB1 ASN 102 -14.006 3.337 -7.379 781 1HD2 ASN 102 HD22 ASN 102 -17.910 3.516 -6.590 782 2HD2 ASN 102 HD21 ASN 102 -16.701 4.105 -5.555 783 H GLU 103 HN GLU 103 -12.325 1.291 -7.922 784 HA GLU 103 HA GLU 103 -13.848 -0.012 -9.971 785 1HB GLU 103 HB2 GLU 103 -11.695 1.300 -10.242 786 2HB GLU 103 HB1 GLU 103 -10.851 -0.089 -9.567 787 1HG GLU 103 HG2 GLU 103 -11.806 -1.524 -11.366 788 2HG GLU 103 HG1 GLU 103 -12.539 -0.090 -12.086 789 H LEU 104 HN LEU 104 -11.642 -1.240 -7.452 790 HA LEU 104 HA LEU 104 -12.184 -4.030 -8.336 791 1HB LEU 104 HB2 LEU 104 -10.213 -2.932 -6.322 792 2HB LEU 104 HB1 LEU 104 -10.329 -4.619 -6.804 793 HG LEU 104 HG LEU 104 -9.716 -2.300 -8.661 794 1HD1 LEU 104 HD13 LEU 104 -7.968 -4.392 -7.348 795 2HD1 LEU 104 HD12 LEU 104 -7.447 -3.449 -8.746 796 3HD1 LEU 104 HD11 LEU 104 -7.829 -2.637 -7.226 797 1HD2 LEU 104 HD21 LEU 104 -10.082 -5.269 -9.063 798 2HD2 LEU 104 HD23 LEU 104 -10.674 -3.935 -10.054 799 3HD2 LEU 104 HD22 LEU 104 -8.973 -4.382 -10.107 800 H VAL 105 HN VAL 105 -13.584 -1.884 -6.169 801 HA VAL 105 HA VAL 105 -13.890 -3.582 -3.858 802 HB VAL 105 HB VAL 105 -14.410 -1.074 -3.998 803 1HG1 VAL 105 HG12 VAL 105 -15.957 -1.545 -6.070 804 2HG1 VAL 105 HG11 VAL 105 -17.171 -1.920 -4.853 805 3HG1 VAL 105 HG13 VAL 105 -16.436 -0.318 -4.899 806 1HG2 VAL 105 HG21 VAL 105 -16.380 -3.024 -2.776 807 2HG2 VAL 105 HG23 VAL 105 -14.962 -2.313 -2.004 808 3HG2 VAL 105 HG22 VAL 105 -16.349 -1.302 -2.398 809 HA PRO 59 HA PRO 106 14.633 16.127 -13.273 810 1HB PRO 59 HB2 PRO 106 16.974 15.282 -12.017 811 2HB PRO 59 HB1 PRO 106 16.914 15.997 -13.641 812 1HG PRO 59 HG2 PRO 106 17.554 17.304 -11.030 813 2HG PRO 59 HG1 PRO 106 18.345 17.494 -12.606 814 1HD PRO 59 HD2 PRO 106 16.620 19.343 -11.701 815 2HD PRO 59 HD1 PRO 106 16.663 18.905 -13.424 816 H ALA 60 HN ALA 107 14.940 17.457 -10.064 817 HA ALA 60 HA ALA 107 14.221 14.868 -8.781 818 1HB ALA 60 HB1 ALA 107 14.983 17.588 -7.682 819 2HB ALA 60 HB3 ALA 107 14.430 16.260 -6.661 820 3HB ALA 60 HB2 ALA 107 15.915 16.093 -7.596 821 H THR 61 HN THR 108 12.091 14.394 -8.543 822 HA THR 61 HA THR 108 10.096 16.633 -8.575 823 HB THR 61 HB THR 108 9.593 13.659 -8.902 824 HG1 THR 61 HG1 THR 108 10.955 14.924 -10.514 825 1HG2 THR 61 HG21 THR 108 7.710 15.269 -8.214 826 2HG2 THR 61 HG23 THR 108 7.900 15.989 -9.812 827 3HG2 THR 61 HG22 THR 108 7.431 14.297 -9.654 828 H LEU 62 HN LEU 109 9.088 17.132 -6.704 829 HA LEU 62 HA LEU 109 9.659 15.765 -4.234 830 1HB LEU 62 HB2 LEU 109 7.585 17.835 -4.995 831 2HB LEU 62 HB1 LEU 109 7.801 17.255 -3.346 832 HG LEU 62 HG LEU 109 10.052 18.452 -4.986 833 1HD1 LEU 62 HD11 LEU 109 8.011 19.759 -3.186 834 2HD1 LEU 62 HD13 LEU 109 9.602 20.477 -3.434 835 3HD1 LEU 62 HD12 LEU 109 8.516 20.242 -4.803 836 1HD2 LEU 62 HD23 LEU 109 9.683 17.670 -2.088 837 2HD2 LEU 62 HD22 LEU 109 11.011 17.271 -3.176 838 3HD2 LEU 62 HD21 LEU 109 10.860 18.902 -2.539 839 H LYS 63 HN LYS 110 7.041 15.607 -6.573 840 HA LYS 63 HA LYS 110 5.129 14.203 -4.996 841 1HB LYS 63 HB2 LYS 110 5.639 13.952 -7.980 842 2HB LYS 63 HB1 LYS 110 4.162 13.481 -7.142 843 1HG LYS 63 HG2 LYS 110 5.273 16.293 -7.386 844 2HG LYS 63 HG1 LYS 110 3.843 15.658 -8.194 845 1HD LYS 63 HD2 LYS 110 3.015 15.140 -5.757 846 2HD LYS 63 HD1 LYS 110 4.232 16.323 -5.282 847 1HE LYS 63 HE2 LYS 110 3.207 17.994 -6.770 848 2HE LYS 63 HE1 LYS 110 2.001 16.810 -7.278 849 1HZ LYS 63 HZ3 LYS 110 2.400 17.610 -4.452 850 2HZ LYS 63 HZ2 LYS 110 1.279 18.367 -5.481 851 3HZ LYS 63 HZ1 LYS 110 1.113 16.718 -5.106 852 H ILE 64 HN ILE 111 8.123 13.191 -6.368 853 HA ILE 64 HA ILE 111 7.553 10.341 -5.577 854 HB ILE 64 HB ILE 111 9.047 11.368 -8.019 855 1HG1 ILE 64 HG12 ILE 111 6.616 11.316 -8.309 856 2HG1 ILE 64 HG11 ILE 111 7.370 10.053 -9.272 857 1HG2 ILE 64 HG22 ILE 111 8.814 8.561 -6.910 858 2HG2 ILE 64 HG21 ILE 111 9.339 8.929 -8.551 859 3HG2 ILE 64 HG23 ILE 111 10.294 9.484 -7.179 860 1HD1 ILE 64 HD11 ILE 111 6.896 8.638 -7.008 861 2HD1 ILE 64 HD13 ILE 111 5.600 9.824 -6.896 862 3HD1 ILE 64 HD12 ILE 111 5.719 8.781 -8.307 863 H CYS 65 HN CYS 112 9.286 9.328 -4.470 864 HA CYS 65 HA CYS 112 11.629 11.066 -3.825 865 1HB CYS 65 HB2 CYS 112 10.949 8.430 -2.492 866 2HB CYS 65 HB1 CYS 112 12.014 9.696 -1.899 867 H SER 66 HN SER 113 13.530 10.582 -4.873 868 HA SER 66 HA SER 113 13.618 8.300 -6.692 869 1HB SER 66 HB2 SER 113 15.742 10.326 -5.928 870 2HB SER 66 HB1 SER 113 15.893 9.151 -7.233 871 HG SER 66 HG SER 113 13.561 10.387 -7.493 872 H TRP 67 HN TRP 114 14.799 6.397 -6.462 873 HA TRP 67 HA TRP 114 15.526 5.606 -3.756 874 1HB TRP 67 HB2 TRP 114 15.805 4.212 -6.438 875 2HB TRP 67 HB1 TRP 114 16.290 3.475 -4.910 876 HD1 TRP 67 HD1 TRP 114 13.152 5.413 -6.089 877 HE1 TRP 67 HE1 TRP 114 11.074 4.151 -5.256 878 HE3 TRP 67 HE3 TRP 114 15.366 1.468 -3.726 879 HZ2 TRP 67 HZ2 TRP 114 10.448 1.818 -3.758 880 HZ3 TRP 67 HZ3 TRP 114 14.006 -0.255 -2.607 881 HH2 TRP 67 HH2 TRP 114 11.540 -0.093 -2.631 882 H ASN 68 HN ASN 115 17.126 7.286 -6.198 883 HA ASN 68 HA ASN 115 19.782 6.377 -6.137 884 1HB ASN 68 HB2 ASN 115 18.694 9.214 -6.188 885 2HB ASN 68 HB1 ASN 115 20.390 8.811 -6.472 886 1HD2 ASN 68 HD22 ASN 115 18.429 6.725 -9.260 887 2HD2 ASN 68 HD21 ASN 115 18.526 6.257 -7.630 888 H VAL 69 HN VAL 116 17.877 7.527 -3.560 889 HA VAL 69 HA VAL 116 19.874 8.793 -1.941 890 HB VAL 69 HB VAL 116 18.323 8.136 -0.038 891 1HG1 VAL 69 HG12 VAL 116 18.110 10.236 -1.367 892 2HG1 VAL 69 HG11 VAL 116 17.027 9.396 -2.476 893 3HG1 VAL 69 HG13 VAL 116 16.553 9.639 -0.795 894 1HG2 VAL 69 HG23 VAL 116 17.552 6.028 -1.279 895 2HG2 VAL 69 HG22 VAL 116 16.272 6.995 -0.554 896 3HG2 VAL 69 HG21 VAL 116 16.572 7.092 -2.284 897 H ASP 70 HN ASP 117 21.314 7.924 -0.421 898 HA ASP 70 HA ASP 117 22.387 5.340 -0.922 899 1HB ASP 70 HB2 ASP 117 22.612 7.146 1.505 900 2HB ASP 70 HB1 ASP 117 23.540 5.658 1.309 901 H GLY 71 HN GLY 118 20.005 6.468 1.439 902 1HA GLY 71 HA2 GLY 118 19.854 3.986 2.893 903 2HA GLY 71 HA1 GLY 118 18.635 5.263 2.916 No H/Q in entry = 903 Start of MODEL 25 1 1H MET 1 HT1 MET 1 -8.702 -2.239 8.869 2 2H MET 1 HT3 MET 1 -9.472 -2.712 10.305 3 3H MET 1 HT2 MET 1 -9.714 -1.148 9.684 4 HA MET 1 HA MET 1 -8.052 -0.419 10.923 5 1HB MET 1 HB2 MET 1 -6.890 -1.908 12.458 6 2HB MET 1 HB1 MET 1 -8.576 -2.410 12.360 7 1HG MET 1 HG2 MET 1 -7.953 -4.146 10.702 8 2HG MET 1 HG1 MET 1 -6.260 -3.679 10.856 9 1HE MET 1 HE3 MET 1 -7.093 -6.305 10.929 10 2HE MET 1 HE2 MET 1 -5.632 -6.535 11.892 11 3HE MET 1 HE1 MET 1 -7.170 -7.182 12.460 12 H VAL 2 HN VAL 2 -5.567 -0.380 11.042 13 HA VAL 2 HA VAL 2 -4.506 -0.935 8.302 14 HB VAL 2 HB VAL 2 -3.471 0.806 10.559 15 1HG1 VAL 2 HG13 VAL 2 -2.435 0.316 7.753 16 2HG1 VAL 2 HG12 VAL 2 -1.917 1.656 8.773 17 3HG1 VAL 2 HG11 VAL 2 -1.584 -0.003 9.266 18 1HG2 VAL 2 HG23 VAL 2 -5.511 1.629 9.438 19 2HG2 VAL 2 HG22 VAL 2 -4.119 2.640 9.045 20 3HG2 VAL 2 HG21 VAL 2 -4.713 1.461 7.877 21 H LYS 3 HN LYS 3 -2.544 -2.086 8.007 22 HA LYS 3 HA LYS 3 -1.451 -3.555 10.390 23 1HB LYS 3 HB2 LYS 3 -2.943 -5.002 8.951 24 2HB LYS 3 HB1 LYS 3 -1.880 -4.664 7.591 25 1HG LYS 3 HG2 LYS 3 -1.011 -6.691 8.345 26 2HG LYS 3 HG1 LYS 3 0.010 -5.549 9.203 27 1HD LYS 3 HD2 LYS 3 -1.477 -5.729 11.183 28 2HD LYS 3 HD1 LYS 3 -2.447 -6.923 10.318 29 1HE LYS 3 HE2 LYS 3 0.505 -7.190 10.962 30 2HE LYS 3 HE1 LYS 3 -0.805 -8.013 11.816 31 1HZ LYS 3 HZ2 LYS 3 -1.448 -8.948 9.588 32 2HZ LYS 3 HZ1 LYS 3 0.019 -8.346 8.990 33 3HZ LYS 3 HZ3 LYS 3 0.030 -9.523 10.216 34 H GLN 4 HN GLN 4 0.777 -3.300 10.502 35 HA GLN 4 HA GLN 4 2.154 -2.106 8.133 36 1HB GLN 4 HB2 GLN 4 2.433 -0.981 10.325 37 2HB GLN 4 HB1 GLN 4 3.127 -2.464 10.983 38 1HG GLN 4 HG2 GLN 4 4.967 -2.363 9.369 39 2HG GLN 4 HG1 GLN 4 4.278 -0.907 8.638 40 1HE2 GLN 4 HE22 GLN 4 6.200 1.007 10.916 41 2HE2 GLN 4 HE21 GLN 4 5.827 0.681 9.292 42 H ILE 5 HN ILE 5 3.362 -3.422 6.881 43 HA ILE 5 HA ILE 5 4.088 -6.144 7.892 44 HB ILE 5 HB ILE 5 4.188 -5.074 5.068 45 1HG1 ILE 5 HG12 ILE 5 1.887 -4.893 5.808 46 2HG1 ILE 5 HG11 ILE 5 2.022 -6.321 4.784 47 1HG2 ILE 5 HG22 ILE 5 4.222 -7.844 6.273 48 2HG2 ILE 5 HG21 ILE 5 4.034 -7.506 4.562 49 3HG2 ILE 5 HG23 ILE 5 5.524 -7.058 5.370 50 1HD1 ILE 5 HD13 ILE 5 2.438 -7.606 7.020 51 2HD1 ILE 5 HD12 ILE 5 1.739 -6.173 7.778 52 3HD1 ILE 5 HD11 ILE 5 0.795 -7.118 6.626 53 H GLU 6 HN GLU 6 6.154 -6.150 8.720 54 HA GLU 6 HA GLU 6 8.158 -4.279 7.561 55 1HB GLU 6 HB2 GLU 6 8.293 -6.022 10.037 56 2HB GLU 6 HB1 GLU 6 9.514 -4.856 9.534 57 1HG GLU 6 HG2 GLU 6 6.631 -4.124 10.086 58 2HG GLU 6 HG1 GLU 6 7.925 -3.997 11.279 59 H SER 7 HN SER 7 7.127 -7.367 6.963 60 HA SER 7 HA SER 7 9.726 -8.059 5.698 61 1HB SER 7 HB2 SER 7 9.738 -10.309 6.712 62 2HB SER 7 HB1 SER 7 9.856 -9.046 7.944 63 HG SER 7 HG SER 7 8.286 -10.562 8.533 64 H LYS 8 HN LYS 8 9.529 -9.725 4.076 65 HA LYS 8 HA LYS 8 7.038 -9.750 2.628 66 1HB LYS 8 HB2 LYS 8 9.392 -10.153 1.703 67 2HB LYS 8 HB1 LYS 8 9.267 -11.768 2.390 68 1HG LYS 8 HG2 LYS 8 7.224 -12.185 1.050 69 2HG LYS 8 HG1 LYS 8 7.362 -10.564 0.364 70 1HD LYS 8 HD2 LYS 8 8.297 -12.284 -1.162 71 2HD LYS 8 HD1 LYS 8 9.523 -11.132 -0.637 72 1HE LYS 8 HE2 LYS 8 10.033 -13.726 -0.590 73 2HE LYS 8 HE1 LYS 8 10.605 -12.688 0.718 74 1HZ LYS 8 HZ3 LYS 8 7.941 -13.924 0.908 75 2HZ LYS 8 HZ2 LYS 8 9.316 -14.867 1.236 76 3HZ LYS 8 HZ1 LYS 8 9.004 -13.471 2.150 77 H THR 9 HN THR 9 8.501 -11.861 5.040 78 HA THR 9 HA THR 9 6.870 -14.157 4.701 79 HB THR 9 HB THR 9 7.907 -12.986 7.294 80 HG1 THR 9 HG1 THR 9 9.648 -13.389 6.087 81 1HG2 THR 9 HG21 THR 9 6.895 -15.737 6.547 82 2HG2 THR 9 HG23 THR 9 7.823 -15.412 8.013 83 3HG2 THR 9 HG22 THR 9 6.248 -14.655 7.778 84 H ALA 10 HN ALA 10 6.320 -11.317 6.785 85 HA ALA 10 HA ALA 10 3.697 -12.209 7.574 86 1HB ALA 10 HB3 ALA 10 5.139 -9.563 7.719 87 2HB ALA 10 HB2 ALA 10 3.453 -9.706 8.209 88 3HB ALA 10 HB1 ALA 10 4.698 -10.642 9.041 89 H PHE 11 HN PHE 11 4.965 -10.379 4.868 90 HA PHE 11 HA PHE 11 2.552 -9.169 3.942 91 1HB PHE 11 HB2 PHE 11 4.904 -8.826 3.004 92 2HB PHE 11 HB1 PHE 11 4.729 -10.368 2.197 93 HD1 PHE 11 HD1 PHE 11 2.750 -7.210 2.664 94 HD2 PHE 11 HD2 PHE 11 3.974 -10.341 -0.010 95 HE1 PHE 11 HE1 PHE 11 1.521 -6.112 0.815 96 HE2 PHE 11 HE2 PHE 11 2.742 -9.246 -1.848 97 HZ PHE 11 HZ PHE 11 1.514 -7.139 -1.436 98 H GLN 12 HN GLN 12 3.953 -12.358 3.285 99 HA GLN 12 HA GLN 12 1.908 -13.248 1.479 100 1HB GLN 12 HB2 GLN 12 3.714 -14.793 3.385 101 2HB GLN 12 HB1 GLN 12 2.783 -15.516 2.072 102 1HG GLN 12 HG2 GLN 12 4.879 -13.354 1.712 103 2HG GLN 12 HG1 GLN 12 5.155 -15.073 1.433 104 1HE2 GLN 12 HE22 GLN 12 2.992 -15.142 -1.493 105 2HE2 GLN 12 HE21 GLN 12 3.373 -16.077 -0.128 106 H GLU 13 HN GLU 13 2.327 -13.550 4.996 107 HA GLU 13 HA GLU 13 -0.048 -15.081 5.491 108 1HB GLU 13 HB2 GLU 13 1.735 -13.348 7.193 109 2HB GLU 13 HB1 GLU 13 0.255 -14.007 7.868 110 1HG GLU 13 HG2 GLU 13 2.180 -15.490 8.324 111 2HG GLU 13 HG1 GLU 13 0.992 -16.288 7.296 112 H ALA 14 HN ALA 14 0.552 -11.595 5.334 113 HA ALA 14 HA ALA 14 -2.034 -10.832 6.328 114 1HB ALA 14 HB3 ALA 14 0.050 -9.353 6.076 115 2HB ALA 14 HB2 ALA 14 -0.388 -9.218 4.371 116 3HB ALA 14 HB1 ALA 14 -1.491 -8.630 5.617 117 H LEU 15 HN LEU 15 -0.763 -11.428 3.059 118 HA LEU 15 HA LEU 15 -3.101 -10.649 1.633 119 1HB LEU 15 HB2 LEU 15 -0.995 -12.731 1.028 120 2HB LEU 15 HB1 LEU 15 -2.254 -12.278 -0.111 121 HG LEU 15 HG LEU 15 -0.339 -10.298 1.135 122 1HD1 LEU 15 HD11 LEU 15 -0.115 -11.971 -1.362 123 2HD1 LEU 15 HD13 LEU 15 0.635 -10.376 -1.298 124 3HD1 LEU 15 HD12 LEU 15 1.111 -11.620 -0.143 125 1HD2 LEU 15 HD21 LEU 15 -2.489 -10.153 -0.969 126 2HD2 LEU 15 HD23 LEU 15 -2.112 -9.017 0.323 127 3HD2 LEU 15 HD22 LEU 15 -1.091 -9.088 -1.106 128 H ASP 16 HN ASP 16 -2.154 -13.703 3.153 129 HA ASP 16 HA ASP 16 -4.433 -15.197 2.236 130 1HB ASP 16 HB2 ASP 16 -2.253 -16.148 3.149 131 2HB ASP 16 HB1 ASP 16 -2.837 -15.718 4.760 132 H ALA 17 HN ALA 17 -3.801 -13.253 5.123 133 HA ALA 17 HA ALA 17 -6.170 -14.050 6.554 134 1HB ALA 17 HB1 ALA 17 -4.050 -12.865 7.442 135 2HB ALA 17 HB3 ALA 17 -4.816 -11.377 6.890 136 3HB ALA 17 HB2 ALA 17 -5.607 -12.375 8.112 137 H ALA 18 HN ALA 18 -5.507 -11.449 4.251 138 HA ALA 18 HA ALA 18 -7.931 -9.992 4.654 139 1HB ALA 18 HB1 ALA 18 -6.031 -9.120 3.332 140 2HB ALA 18 HB3 ALA 18 -6.337 -10.341 2.098 141 3HB ALA 18 HB2 ALA 18 -7.531 -9.078 2.405 142 H GLY 19 HN GLY 19 -7.188 -12.895 2.843 143 1HA GLY 19 HA2 GLY 19 -8.623 -14.468 1.862 144 2HA GLY 19 HA1 GLY 19 -9.955 -13.673 2.705 145 H ASP 20 HN ASP 20 -11.460 -13.030 1.253 146 HA ASP 20 HA ASP 20 -10.651 -12.316 -1.502 147 1HB ASP 20 HB2 ASP 20 -13.376 -12.625 -0.218 148 2HB ASP 20 HB1 ASP 20 -13.095 -12.285 -1.926 149 H LYS 21 HN LYS 21 -10.735 -10.590 1.282 150 HA LYS 21 HA LYS 21 -12.293 -8.271 0.454 151 1HB LYS 21 HB2 LYS 21 -10.161 -8.655 2.580 152 2HB LYS 21 HB1 LYS 21 -11.028 -7.140 2.340 153 1HG LYS 21 HG2 LYS 21 -13.181 -8.551 2.593 154 2HG LYS 21 HG1 LYS 21 -12.126 -9.806 3.247 155 1HD LYS 21 HD2 LYS 21 -11.224 -7.943 4.816 156 2HD LYS 21 HD1 LYS 21 -12.667 -7.045 4.348 157 1HE LYS 21 HE2 LYS 21 -14.048 -9.017 5.064 158 2HE LYS 21 HE1 LYS 21 -12.572 -9.766 5.675 159 1HZ LYS 21 HZ3 LYS 21 -13.253 -7.034 6.507 160 2HZ LYS 21 HZ2 LYS 21 -14.051 -8.343 7.235 161 3HZ LYS 21 HZ1 LYS 21 -12.360 -8.218 7.330 162 H LEU 22 HN LEU 22 -11.431 -6.257 -0.394 163 HA LEU 22 HA LEU 22 -9.284 -6.526 -2.236 164 1HB LEU 22 HB2 LEU 22 -11.228 -4.622 -1.741 165 2HB LEU 22 HB1 LEU 22 -9.793 -3.796 -1.168 166 HG LEU 22 HG LEU 22 -10.218 -4.939 -3.929 167 1HD1 LEU 22 HD11 LEU 22 -10.551 -2.252 -2.712 168 2HD1 LEU 22 HD13 LEU 22 -9.608 -2.252 -4.203 169 3HD1 LEU 22 HD12 LEU 22 -11.237 -2.914 -4.190 170 1HD2 LEU 22 HD21 LEU 22 -7.779 -3.759 -2.595 171 2HD2 LEU 22 HD23 LEU 22 -7.903 -5.234 -3.559 172 3HD2 LEU 22 HD22 LEU 22 -7.994 -3.662 -4.339 173 H VAL 23 HN VAL 23 -7.105 -5.431 -2.025 174 HA VAL 23 HA VAL 23 -6.220 -4.917 0.747 175 HB VAL 23 HB VAL 23 -5.014 -7.038 -1.061 176 1HG1 VAL 23 HG12 VAL 23 -4.025 -5.683 1.447 177 2HG1 VAL 23 HG11 VAL 23 -3.541 -7.337 1.078 178 3HG1 VAL 23 HG13 VAL 23 -3.150 -6.036 -0.043 179 1HG2 VAL 23 HG21 VAL 23 -6.571 -7.105 1.525 180 2HG2 VAL 23 HG23 VAL 23 -6.831 -8.045 0.055 181 3HG2 VAL 23 HG22 VAL 23 -5.460 -8.408 1.100 182 H VAL 24 HN VAL 24 -5.348 -2.912 0.466 183 HA VAL 24 HA VAL 24 -3.807 -2.368 -2.034 184 HB VAL 24 HB VAL 24 -4.723 -0.418 0.109 185 1HG1 VAL 24 HG12 VAL 24 -2.757 0.260 -1.297 186 2HG1 VAL 24 HG11 VAL 24 -3.751 0.023 -2.734 187 3HG1 VAL 24 HG13 VAL 24 -4.173 1.276 -1.567 188 1HG2 VAL 24 HG22 VAL 24 -5.971 -1.305 -2.502 189 2HG2 VAL 24 HG21 VAL 24 -6.707 -1.282 -0.900 190 3HG2 VAL 24 HG23 VAL 24 -6.376 0.232 -1.738 191 H VAL 25 HN VAL 25 -1.606 -1.762 -1.893 192 HA VAL 25 HA VAL 25 -0.345 -1.961 0.833 193 HB VAL 25 HB VAL 25 0.847 -2.970 -1.764 194 1HG1 VAL 25 HG11 VAL 25 2.387 -2.262 0.128 195 2HG1 VAL 25 HG13 VAL 25 1.661 -3.551 1.090 196 3HG1 VAL 25 HG12 VAL 25 2.546 -3.940 -0.385 197 1HG2 VAL 25 HG22 VAL 25 -1.207 -4.246 -0.960 198 2HG2 VAL 25 HG21 VAL 25 0.273 -5.195 -1.068 199 3HG2 VAL 25 HG23 VAL 25 -0.293 -4.624 0.500 200 H ASP 26 HN ASP 26 0.681 -0.097 1.336 201 HA ASP 26 HA ASP 26 1.474 1.756 -0.880 202 1HB ASP 26 HB2 ASP 26 0.062 2.651 0.972 203 2HB ASP 26 HB1 ASP 26 1.340 2.250 2.118 204 H PHE 27 HN PHE 27 3.574 1.707 -1.494 205 HA PHE 27 HA PHE 27 5.641 0.600 0.344 206 1HB PHE 27 HB2 PHE 27 5.617 1.207 -2.620 207 2HB PHE 27 HB1 PHE 27 7.105 0.816 -1.753 208 HD1 PHE 27 HD1 PHE 27 7.311 -1.391 -0.571 209 HD2 PHE 27 HD2 PHE 27 4.036 -0.491 -3.202 210 HE1 PHE 27 HE1 PHE 27 6.800 -3.812 -0.760 211 HE2 PHE 27 HE2 PHE 27 3.525 -2.911 -3.379 212 HZ PHE 27 HZ PHE 27 4.904 -4.570 -2.161 213 H SER 28 HN SER 28 4.365 3.393 0.482 214 HA SER 28 HA SER 28 6.209 5.348 -0.364 215 1HB SER 28 HB2 SER 28 4.563 5.372 2.180 216 2HB SER 28 HB1 SER 28 5.310 6.775 1.427 217 HG SER 28 HG SER 28 3.812 5.293 -0.309 218 H ALA 29 HN ALA 29 7.977 6.342 0.603 219 HA ALA 29 HA ALA 29 9.515 4.608 2.428 220 1HB ALA 29 HB3 ALA 29 10.119 7.045 0.761 221 2HB ALA 29 HB2 ALA 29 11.215 6.599 2.070 222 3HB ALA 29 HB1 ALA 29 10.909 5.471 0.747 223 H THR 30 HN THR 30 9.538 4.947 4.607 224 HA THR 30 HA THR 30 7.939 7.042 5.755 225 HB THR 30 HB THR 30 8.327 4.922 6.946 226 HG1 THR 30 HG1 THR 30 8.974 5.886 8.957 227 1HG2 THR 30 HG22 THR 30 10.657 4.569 6.151 228 2HG2 THR 30 HG21 THR 30 11.193 5.875 7.208 229 3HG2 THR 30 HG23 THR 30 10.517 4.403 7.902 230 H TRP 31 HN TRP 31 11.361 6.742 4.962 231 HA TRP 31 HA TRP 31 12.128 9.090 6.521 232 1HB TRP 31 HB2 TRP 31 14.260 8.934 5.318 233 2HB TRP 31 HB1 TRP 31 13.770 7.349 5.917 234 HD1 TRP 31 HD1 TRP 31 13.310 5.503 4.200 235 HE1 TRP 31 HE1 TRP 31 13.533 5.329 1.633 236 HE3 TRP 31 HE3 TRP 31 13.902 10.420 3.065 237 HZ2 TRP 31 HZ2 TRP 31 13.873 7.088 -0.611 238 HZ3 TRP 31 HZ3 TRP 31 14.142 11.159 0.721 239 HH2 TRP 31 HH2 TRP 31 14.132 9.500 -1.117 240 H CYS 32 HN CYS 32 10.640 8.617 3.427 241 HA CYS 32 HA CYS 32 11.530 11.219 2.371 242 1HB CYS 32 HB2 CYS 32 11.040 9.204 0.905 243 2HB CYS 32 HB1 CYS 32 9.343 9.392 1.317 244 H GLY 33 HN GLY 33 10.599 13.073 2.974 245 1HA GLY 33 HA2 GLY 33 8.419 13.230 4.789 246 2HA GLY 33 HA1 GLY 33 9.086 14.588 3.896 247 HA PRO 34 HA PRO 34 5.611 14.808 1.210 248 1HB PRO 34 HB2 PRO 34 6.478 13.873 -1.330 249 2HB PRO 34 HB1 PRO 34 6.542 15.537 -0.736 250 1HG PRO 34 HG2 PRO 34 8.735 13.587 -1.038 251 2HG PRO 34 HG1 PRO 34 8.816 15.346 -0.886 252 1HD PRO 34 HD2 PRO 34 9.512 13.500 1.116 253 2HD PRO 34 HD1 PRO 34 9.201 15.230 1.387 254 H ALA 35 HN ALA 35 7.257 11.689 0.948 255 HA ALA 35 HA ALA 35 4.891 10.304 -0.037 256 1HB ALA 35 HB1 ALA 35 7.459 9.622 -0.098 257 2HB ALA 35 HB3 ALA 35 7.077 8.877 1.453 258 3HB ALA 35 HB2 ALA 35 6.209 8.383 0.000 259 H LYS 36 HN LYS 36 6.532 10.543 3.135 260 HA LYS 36 HA LYS 36 4.568 9.089 4.623 261 1HB LYS 36 HB2 LYS 36 6.862 9.819 5.457 262 2HB LYS 36 HB1 LYS 36 6.185 11.435 5.655 263 1HG LYS 36 HG2 LYS 36 4.381 10.413 7.101 264 2HG LYS 36 HG1 LYS 36 5.278 8.895 7.037 265 1HD LYS 36 HD2 LYS 36 7.252 10.015 8.007 266 2HD LYS 36 HD1 LYS 36 6.363 11.534 8.070 267 1HE LYS 36 HE2 LYS 36 4.702 10.486 9.581 268 2HE LYS 36 HE1 LYS 36 5.631 8.988 9.545 269 1HZ LYS 36 HZ3 LYS 36 7.548 10.647 10.218 270 2HZ LYS 36 HZ2 LYS 36 6.241 11.530 10.849 271 3HZ LYS 36 HZ1 LYS 36 6.532 9.940 11.379 272 H MET 37 HN MET 37 4.795 12.375 3.497 273 HA MET 37 HA MET 37 2.787 13.620 5.035 274 1HB MET 37 HB2 MET 37 4.391 14.743 3.441 275 2HB MET 37 HB1 MET 37 3.387 14.163 2.115 276 1HG MET 37 HG2 MET 37 2.668 16.395 2.577 277 2HG MET 37 HG1 MET 37 1.427 15.329 3.228 278 1HE MET 37 HE3 MET 37 0.891 14.881 5.442 279 2HE MET 37 HE2 MET 37 1.203 15.955 6.797 280 3HE MET 37 HE1 MET 37 0.344 16.560 5.384 281 H ILE 38 HN ILE 38 2.528 11.412 2.332 282 HA ILE 38 HA ILE 38 -0.315 11.986 1.889 283 HB ILE 38 HB ILE 38 1.454 9.798 0.766 284 1HG1 ILE 38 HG12 ILE 38 0.545 12.435 -0.435 285 2HG1 ILE 38 HG11 ILE 38 2.128 12.166 0.281 286 1HG2 ILE 38 HG23 ILE 38 -1.399 10.638 0.272 287 2HG2 ILE 38 HG22 ILE 38 -0.447 9.988 -1.061 288 3HG2 ILE 38 HG21 ILE 38 -0.719 9.014 0.377 289 1HD1 ILE 38 HD11 ILE 38 1.988 10.061 -1.477 290 2HD1 ILE 38 HD13 ILE 38 1.082 11.311 -2.332 291 3HD1 ILE 38 HD12 ILE 38 2.741 11.613 -1.823 292 H LYS 39 HN LYS 39 1.241 10.246 4.281 293 HA LYS 39 HA LYS 39 -0.272 7.849 4.243 294 1HB LYS 39 HB2 LYS 39 0.487 7.372 6.401 295 2HB LYS 39 HB1 LYS 39 1.778 8.316 5.685 296 1HG LYS 39 HG2 LYS 39 1.264 10.225 6.982 297 2HG LYS 39 HG1 LYS 39 -0.342 9.640 7.412 298 1HD LYS 39 HD2 LYS 39 2.269 8.388 8.308 299 2HD LYS 39 HD1 LYS 39 1.278 9.470 9.280 300 1HE LYS 39 HE2 LYS 39 0.395 7.488 10.046 301 2HE LYS 39 HE1 LYS 39 -0.605 7.628 8.602 302 1HZ LYS 39 HZ3 LYS 39 1.804 6.489 7.827 303 2HZ LYS 39 HZ2 LYS 39 1.321 5.673 9.238 304 3HZ LYS 39 HZ1 LYS 39 0.281 5.744 7.894 305 HA PRO 40 HA PRO 40 -3.435 10.133 7.139 306 1HB PRO 40 HB2 PRO 40 -3.893 12.548 5.463 307 2HB PRO 40 HB1 PRO 40 -3.768 12.406 7.227 308 1HG PRO 40 HG2 PRO 40 -1.812 13.542 5.761 309 2HG PRO 40 HG1 PRO 40 -1.458 12.591 7.213 310 1HD PRO 40 HD2 PRO 40 -1.173 11.817 4.345 311 2HD PRO 40 HD1 PRO 40 -0.133 11.385 5.718 312 H PHE 41 HN PHE 41 -3.575 10.770 3.585 313 HA PHE 41 HA PHE 41 -6.391 10.115 3.469 314 1HB PHE 41 HB2 PHE 41 -4.195 10.317 1.387 315 2HB PHE 41 HB1 PHE 41 -5.815 9.771 0.965 316 HD1 PHE 41 HD2 PHE 41 -3.938 12.546 2.571 317 HD2 PHE 41 HD1 PHE 41 -7.575 11.317 0.652 318 HE1 PHE 41 HE2 PHE 41 -4.704 14.907 2.510 319 HE2 PHE 41 HE1 PHE 41 -8.348 13.673 0.595 320 HZ PHE 41 HZ PHE 41 -6.910 15.471 1.524 321 H PHE 42 HN PHE 42 -3.409 8.280 2.784 322 HA PHE 42 HA PHE 42 -4.712 5.839 2.053 323 1HB PHE 42 HB2 PHE 42 -2.336 6.278 1.595 324 2HB PHE 42 HB1 PHE 42 -1.989 6.309 3.327 325 HD1 PHE 42 HD1 PHE 42 -3.110 4.136 0.519 326 HD2 PHE 42 HD2 PHE 42 -1.748 4.303 4.590 327 HE1 PHE 42 HE1 PHE 42 -2.861 1.673 0.538 328 HE2 PHE 42 HE2 PHE 42 -1.493 1.833 4.604 329 HZ PHE 42 HZ PHE 42 -2.063 0.519 2.576 330 H HIS 43 HN HIS 43 -3.350 6.866 5.177 331 HA HIS 43 HA HIS 43 -4.276 4.603 6.677 332 1HB HIS 43 HB2 HIS 43 -2.401 6.023 7.383 333 2HB HIS 43 HB1 HIS 43 -3.488 7.395 7.568 334 HD1 HIS 43 HD1 HIS 43 -2.399 4.242 9.217 335 HD2 HIS 43 HD2 HIS 43 -5.254 7.212 9.811 336 HE1 HIS 43 HE1 HIS 43 -3.373 3.842 11.525 337 H SER 44 HN SER 44 -5.648 7.878 6.231 338 HA SER 44 HA SER 44 -7.794 7.591 8.094 339 1HB SER 44 HB2 SER 44 -7.664 9.255 5.569 340 2HB SER 44 HB1 SER 44 -8.891 9.416 6.815 341 HG SER 44 HG SER 44 -6.791 10.752 6.834 342 H LEU 45 HN LEU 45 -7.579 6.808 4.640 343 HA LEU 45 HA LEU 45 -10.321 6.209 4.230 344 1HB LEU 45 HB2 LEU 45 -7.843 5.142 2.892 345 2HB LEU 45 HB1 LEU 45 -9.459 4.727 2.351 346 HG LEU 45 HG LEU 45 -8.632 7.621 2.659 347 1HD1 LEU 45 HD11 LEU 45 -8.287 5.865 0.208 348 2HD1 LEU 45 HD13 LEU 45 -8.055 7.613 0.249 349 3HD1 LEU 45 HD12 LEU 45 -6.979 6.560 1.167 350 1HD2 LEU 45 HD22 LEU 45 -10.746 6.144 1.067 351 2HD2 LEU 45 HD21 LEU 45 -10.989 7.329 2.350 352 3HD2 LEU 45 HD23 LEU 45 -10.346 7.839 0.794 353 H SER 46 HN SER 46 -7.848 4.366 5.843 354 HA SER 46 HA SER 46 -8.850 1.757 5.538 355 1HB SER 46 HB2 SER 46 -7.666 2.997 8.042 356 2HB SER 46 HB1 SER 46 -7.834 1.272 7.744 357 HG SER 46 HG SER 46 -6.121 3.150 6.573 358 H GLU 47 HN GLU 47 -9.985 4.385 7.612 359 HA GLU 47 HA GLU 47 -12.040 2.626 8.817 360 1HB GLU 47 HB2 GLU 47 -11.372 5.581 9.122 361 2HB GLU 47 HB1 GLU 47 -12.733 4.809 9.934 362 1HG GLU 47 HG2 GLU 47 -10.916 4.782 11.499 363 2HG GLU 47 HG1 GLU 47 -11.062 3.137 10.885 364 H LYS 48 HN LYS 48 -11.658 4.579 6.013 365 HA LYS 48 HA LYS 48 -14.504 5.277 5.769 366 1HB LYS 48 HB2 LYS 48 -12.707 6.672 4.694 367 2HB LYS 48 HB1 LYS 48 -12.364 5.316 3.617 368 1HG LYS 48 HG2 LYS 48 -14.735 5.362 2.850 369 2HG LYS 48 HG1 LYS 48 -15.007 6.783 3.859 370 1HD LYS 48 HD2 LYS 48 -13.238 7.989 2.602 371 2HD LYS 48 HD1 LYS 48 -13.031 6.571 1.574 372 1HE LYS 48 HE2 LYS 48 -14.503 8.177 0.464 373 2HE LYS 48 HE1 LYS 48 -15.411 6.730 0.898 374 1HZ LYS 48 HZ2 LYS 48 -15.317 8.865 2.876 375 2HZ LYS 48 HZ1 LYS 48 -16.239 9.166 1.482 376 3HZ LYS 48 HZ3 LYS 48 -16.596 7.826 2.457 377 H TYR 49 HN TYR 49 -12.231 2.871 4.582 378 HA TYR 49 HA TYR 49 -14.552 1.247 3.560 379 1HB TYR 49 HB2 TYR 49 -11.704 1.399 2.489 380 2HB TYR 49 HB1 TYR 49 -12.908 0.220 1.964 381 HD1 TYR 49 HD2 TYR 49 -15.228 1.214 1.204 382 HD2 TYR 49 HD1 TYR 49 -11.566 3.459 1.364 383 HE1 TYR 49 HE2 TYR 49 -16.182 2.883 -0.364 384 HE2 TYR 49 HE1 TYR 49 -12.522 5.126 -0.198 385 HH TYR 49 HH TYR 49 -15.899 5.037 -1.149 386 H SER 50 HN SER 50 -14.401 0.775 5.982 387 HA SER 50 HA SER 50 -12.210 -0.712 7.047 388 1HB SER 50 HB2 SER 50 -13.697 -1.233 8.862 389 2HB SER 50 HB1 SER 50 -14.068 0.402 8.356 390 HG SER 50 HG SER 50 -15.912 -0.266 7.465 391 H ASN 51 HN ASN 51 -14.439 -1.467 4.643 392 HA ASN 51 HA ASN 51 -14.413 -4.381 5.169 393 1HB ASN 51 HB2 ASN 51 -16.446 -3.160 4.221 394 2HB ASN 51 HB1 ASN 51 -15.512 -2.946 2.741 395 1HD2 ASN 51 HD22 ASN 51 -16.269 -6.183 1.605 396 2HD2 ASN 51 HD21 ASN 51 -15.821 -4.588 1.231 397 H VAL 52 HN VAL 52 -12.206 -2.304 4.166 398 HA VAL 52 HA VAL 52 -11.008 -4.186 2.181 399 HB VAL 52 HB VAL 52 -11.010 -1.154 2.171 400 1HG1 VAL 52 HG11 VAL 52 -9.128 -3.131 0.904 401 2HG1 VAL 52 HG13 VAL 52 -9.533 -1.657 0.022 402 3HG1 VAL 52 HG12 VAL 52 -8.780 -1.560 1.612 403 1HG2 VAL 52 HG22 VAL 52 -11.893 -3.282 0.191 404 2HG2 VAL 52 HG21 VAL 52 -12.927 -2.139 1.048 405 3HG2 VAL 52 HG23 VAL 52 -11.810 -1.563 -0.191 406 H ILE 53 HN ILE 53 -8.785 -4.605 2.559 407 HA ILE 53 HA ILE 53 -7.815 -3.658 5.233 408 HB ILE 53 HB ILE 53 -6.611 -5.787 3.445 409 1HG1 ILE 53 HG12 ILE 53 -8.888 -6.478 3.860 410 2HG1 ILE 53 HG11 ILE 53 -7.857 -7.392 4.957 411 1HG2 ILE 53 HG21 ILE 53 -5.408 -4.673 5.517 412 2HG2 ILE 53 HG23 ILE 53 -6.491 -5.691 6.458 413 3HG2 ILE 53 HG22 ILE 53 -5.357 -6.420 5.322 414 1HD1 ILE 53 HD11 ILE 53 -8.335 -5.489 6.658 415 2HD1 ILE 53 HD13 ILE 53 -9.666 -5.064 5.584 416 3HD1 ILE 53 HD12 ILE 53 -9.620 -6.657 6.339 417 H PHE 54 HN PHE 54 -6.297 -2.050 5.282 418 HA PHE 54 HA PHE 54 -4.744 -1.459 2.779 419 1HB PHE 54 HB2 PHE 54 -5.261 0.215 5.258 420 2HB PHE 54 HB1 PHE 54 -4.207 0.705 3.935 421 HD1 PHE 54 HD1 PHE 54 -7.709 -0.423 4.642 422 HD2 PHE 54 HD2 PHE 54 -5.104 1.838 2.083 423 HE1 PHE 54 HE1 PHE 54 -9.675 0.466 3.420 424 HE2 PHE 54 HE2 PHE 54 -7.073 2.721 0.856 425 HZ PHE 54 HZ PHE 54 -9.357 2.032 1.530 426 H LEU 55 HN LEU 55 -2.594 -1.982 2.760 427 HA LEU 55 HA LEU 55 -1.239 -2.537 5.381 428 1HB LEU 55 HB2 LEU 55 -0.639 -3.635 2.619 429 2HB LEU 55 HB1 LEU 55 0.462 -3.801 3.985 430 HG LEU 55 HG LEU 55 -1.135 -5.128 5.205 431 1HD1 LEU 55 HD13 LEU 55 -3.067 -4.216 3.091 432 2HD1 LEU 55 HD12 LEU 55 -3.332 -5.758 3.898 433 3HD1 LEU 55 HD11 LEU 55 -3.260 -4.277 4.842 434 1HD2 LEU 55 HD22 LEU 55 0.212 -6.167 3.318 435 2HD2 LEU 55 HD21 LEU 55 -1.222 -7.071 3.808 436 3HD2 LEU 55 HD23 LEU 55 -1.252 -6.093 2.340 437 H GLU 56 HN GLU 56 0.610 -1.491 5.849 438 HA GLU 56 HA GLU 56 1.547 0.609 3.921 439 1HB GLU 56 HB2 GLU 56 0.641 1.383 6.163 440 2HB GLU 56 HB1 GLU 56 1.979 0.518 6.924 441 1HG GLU 56 HG2 GLU 56 3.550 1.851 5.448 442 2HG GLU 56 HG1 GLU 56 2.159 2.825 4.971 443 H VAL 57 HN VAL 57 3.602 0.326 3.154 444 HA VAL 57 HA VAL 57 5.360 -1.672 4.561 445 HB VAL 57 HB VAL 57 5.041 -1.280 1.578 446 1HG1 VAL 57 HG12 VAL 57 6.565 -3.311 3.231 447 2HG1 VAL 57 HG11 VAL 57 6.369 -3.372 1.483 448 3HG1 VAL 57 HG13 VAL 57 7.274 -2.052 2.219 449 1HG2 VAL 57 HG21 VAL 57 3.963 -3.367 3.488 450 2HG2 VAL 57 HG23 VAL 57 3.033 -2.272 2.470 451 3HG2 VAL 57 HG22 VAL 57 3.979 -3.565 1.736 452 H ASP 58 HN ASP 58 7.409 -1.014 4.912 453 HA ASP 58 HA ASP 58 8.269 1.677 3.959 454 1HB ASP 58 HB2 ASP 58 8.400 0.947 6.393 455 2HB ASP 58 HB1 ASP 58 9.638 -0.205 5.882 456 H VAL 59 HN VAL 59 9.548 1.699 2.102 457 HA VAL 59 HA VAL 59 10.690 -0.752 1.050 458 HB VAL 59 HB VAL 59 11.874 0.740 -0.538 459 1HG1 VAL 59 HG11 VAL 59 8.973 1.375 0.017 460 2HG1 VAL 59 HG13 VAL 59 9.809 1.860 -1.456 461 3HG1 VAL 59 HG12 VAL 59 9.601 0.151 -1.083 462 1HG2 VAL 59 HG23 VAL 59 10.745 2.929 1.231 463 2HG2 VAL 59 HG22 VAL 59 12.446 2.585 0.923 464 3HG2 VAL 59 HG21 VAL 59 11.425 3.207 -0.373 465 H ASP 60 HN ASP 60 11.656 1.493 3.472 466 HA ASP 60 HA ASP 60 14.531 0.791 3.211 467 1HB ASP 60 HB2 ASP 60 12.935 2.755 4.837 468 2HB ASP 60 HB1 ASP 60 14.594 2.379 5.275 469 H ASP 61 HN ASP 61 11.868 0.328 5.574 470 HA ASP 61 HA ASP 61 13.679 -1.415 7.189 471 1HB ASP 61 HB2 ASP 61 10.827 -0.519 7.728 472 2HB ASP 61 HB1 ASP 61 11.839 -1.445 8.828 473 H ALA 62 HN ALA 62 11.119 -1.540 4.892 474 HA ALA 62 HA ALA 62 10.899 -4.509 5.232 475 1HB ALA 62 HB3 ALA 62 8.816 -2.921 5.582 476 2HB ALA 62 HB2 ALA 62 8.794 -2.879 3.819 477 3HB ALA 62 HB1 ALA 62 8.631 -4.418 4.668 478 H GLN 63 HN GLN 63 12.963 -3.231 3.806 479 HA GLN 63 HA GLN 63 12.493 -2.845 1.044 480 1HB GLN 63 HB2 GLN 63 14.895 -3.128 0.771 481 2HB GLN 63 HB1 GLN 63 14.602 -2.248 2.272 482 1HG GLN 63 HG2 GLN 63 14.703 -4.488 3.471 483 2HG GLN 63 HG1 GLN 63 15.287 -5.182 1.959 484 1HE2 GLN 63 HE22 GLN 63 18.202 -4.045 4.106 485 2HE2 GLN 63 HE21 GLN 63 16.860 -5.033 4.429 486 H ASP 64 HN ASP 64 12.636 -5.799 2.895 487 HA ASP 64 HA ASP 64 13.335 -7.551 0.745 488 1HB ASP 64 HB2 ASP 64 12.169 -9.307 2.155 489 2HB ASP 64 HB1 ASP 64 13.438 -8.412 2.984 490 H VAL 65 HN VAL 65 10.252 -6.186 1.840 491 HA VAL 65 HA VAL 65 8.637 -7.780 0.039 492 HB VAL 65 HB VAL 65 7.923 -5.058 1.169 493 1HG1 VAL 65 HG12 VAL 65 6.452 -6.178 -0.550 494 2HG1 VAL 65 HG11 VAL 65 6.209 -7.493 0.601 495 3HG1 VAL 65 HG13 VAL 65 5.656 -5.863 0.991 496 1HG2 VAL 65 HG22 VAL 65 8.085 -7.742 2.519 497 2HG2 VAL 65 HG21 VAL 65 8.589 -6.167 3.119 498 3HG2 VAL 65 HG23 VAL 65 6.877 -6.572 3.036 499 H ALA 66 HN ALA 66 9.945 -4.480 -0.018 500 HA ALA 66 HA ALA 66 8.799 -3.813 -2.562 501 1HB ALA 66 HB3 ALA 66 9.769 -2.283 -0.670 502 2HB ALA 66 HB2 ALA 66 11.296 -2.501 -1.526 503 3HB ALA 66 HB1 ALA 66 9.910 -1.788 -2.355 504 H SER 67 HN SER 67 11.984 -5.096 -1.613 505 HA SER 67 HA SER 67 13.202 -4.886 -4.187 506 1HB SER 67 HB2 SER 67 14.762 -6.600 -3.403 507 2HB SER 67 HB1 SER 67 14.440 -5.464 -2.098 508 HG SER 67 HG SER 67 13.695 -8.126 -2.407 509 H GLU 68 HN GLU 68 11.008 -7.263 -2.808 510 HA GLU 68 HA GLU 68 11.279 -9.275 -4.812 511 1HB GLU 68 HB2 GLU 68 10.059 -9.574 -2.641 512 2HB GLU 68 HB1 GLU 68 8.771 -8.543 -3.266 513 1HG GLU 68 HG2 GLU 68 8.569 -10.156 -5.219 514 2HG GLU 68 HG1 GLU 68 9.669 -11.224 -4.352 515 H ALA 69 HN ALA 69 9.240 -6.383 -4.614 516 HA ALA 69 HA ALA 69 7.995 -6.986 -7.212 517 1HB ALA 69 HB2 ALA 69 7.696 -4.668 -5.292 518 2HB ALA 69 HB1 ALA 69 6.784 -4.836 -6.795 519 3HB ALA 69 HB3 ALA 69 6.587 -6.023 -5.506 520 H GLU 70 HN GLU 70 10.932 -5.725 -6.406 521 HA GLU 70 HA GLU 70 12.450 -4.330 -7.528 522 1HB GLU 70 HB2 GLU 70 10.610 -4.864 -9.883 523 2HB GLU 70 HB1 GLU 70 12.239 -4.208 -9.979 524 1HG GLU 70 HG2 GLU 70 11.535 -6.920 -8.839 525 2HG GLU 70 HG1 GLU 70 12.169 -6.633 -10.458 526 H VAL 71 HN VAL 71 10.656 -2.873 -6.032 527 HA VAL 71 HA VAL 71 9.124 -0.999 -7.566 528 HB VAL 71 HB VAL 71 10.465 -0.493 -4.880 529 1HG1 VAL 71 HG11 VAL 71 8.138 0.757 -6.369 530 2HG1 VAL 71 HG13 VAL 71 8.432 1.029 -4.652 531 3HG1 VAL 71 HG12 VAL 71 9.629 1.540 -5.848 532 1HG2 VAL 71 HG21 VAL 71 7.890 -1.916 -5.634 533 2HG2 VAL 71 HG23 VAL 71 9.151 -2.449 -4.523 534 3HG2 VAL 71 HG22 VAL 71 8.068 -1.137 -4.061 535 H LYS 72 HN LYS 72 9.818 0.723 -8.751 536 HA LYS 72 HA LYS 72 12.732 1.319 -8.721 537 1HB LYS 72 HB2 LYS 72 10.601 1.995 -10.762 538 2HB LYS 72 HB1 LYS 72 12.324 2.321 -10.936 539 1HG LYS 72 HG2 LYS 72 11.328 -0.496 -10.421 540 2HG LYS 72 HG1 LYS 72 11.370 0.168 -12.053 541 1HD LYS 72 HD2 LYS 72 13.805 0.690 -11.720 542 2HD LYS 72 HD1 LYS 72 13.728 -0.146 -10.170 543 1HE LYS 72 HE2 LYS 72 12.989 -2.203 -11.309 544 2HE LYS 72 HE1 LYS 72 13.080 -1.377 -12.864 545 1HZ LYS 72 HZ1 LYS 72 15.503 -0.876 -11.824 546 2HZ LYS 72 HZ3 LYS 72 15.200 -2.424 -11.201 547 3HZ LYS 72 HZ2 LYS 72 15.162 -2.164 -12.879 548 H ALA 73 HN ALA 73 9.758 2.625 -7.652 549 HA ALA 73 HA ALA 73 11.109 5.064 -6.816 550 1HB ALA 73 HB1 ALA 73 10.359 5.342 -9.288 551 2HB ALA 73 HB3 ALA 73 8.746 5.532 -8.599 552 3HB ALA 73 HB2 ALA 73 10.038 6.644 -8.146 553 H THR 74 HN THR 74 9.818 6.376 -5.362 554 HA THR 74 HA THR 74 7.344 5.014 -4.346 555 HB THR 74 HB THR 74 8.032 5.576 -2.074 556 HG1 THR 74 HG1 THR 74 9.159 7.555 -3.159 557 1HG2 THR 74 HG22 THR 74 9.261 3.664 -3.390 558 2HG2 THR 74 HG21 THR 74 10.650 4.744 -3.265 559 3HG2 THR 74 HG23 THR 74 9.856 4.162 -1.807 560 HA PRO 75 HA PRO 75 5.901 5.658 -2.637 561 1HB PRO 75 HB2 PRO 75 3.284 6.551 -2.727 562 2HB PRO 75 HB1 PRO 75 4.481 7.080 -1.536 563 1HG PRO 75 HG2 PRO 75 3.391 8.549 -3.870 564 2HG PRO 75 HG1 PRO 75 4.101 9.180 -2.377 565 1HD PRO 75 HD2 PRO 75 5.374 9.029 -4.924 566 2HD PRO 75 HD1 PRO 75 6.165 9.412 -3.369 567 H THR 76 HN THR 76 4.908 3.744 -3.279 568 HA THR 76 HA THR 76 3.586 3.696 -5.969 569 HB THR 76 HB THR 76 5.508 1.608 -4.897 570 HG1 THR 76 HG1 THR 76 5.791 3.183 -7.205 571 1HG2 THR 76 HG21 THR 76 3.757 1.769 -7.347 572 2HG2 THR 76 HG23 THR 76 5.220 0.788 -7.336 573 3HG2 THR 76 HG22 THR 76 3.916 0.438 -6.202 574 H PHE 77 HN PHE 77 1.659 2.740 -5.928 575 HA PHE 77 HA PHE 77 0.824 1.287 -3.441 576 1HB PHE 77 HB2 PHE 77 -0.855 2.695 -5.537 577 2HB PHE 77 HB1 PHE 77 -1.470 1.915 -4.078 578 HD1 PHE 77 HD1 PHE 77 -1.055 2.883 -1.857 579 HD2 PHE 77 HD2 PHE 77 0.368 4.783 -5.437 580 HE1 PHE 77 HE1 PHE 77 -0.614 4.962 -0.579 581 HE2 PHE 77 HE2 PHE 77 0.816 6.865 -4.158 582 HZ PHE 77 HZ PHE 77 0.323 6.953 -1.728 583 H GLN 78 HN GLN 78 0.311 -0.836 -3.630 584 HA GLN 78 HA GLN 78 -0.174 -1.943 -6.380 585 1HB GLN 78 HB2 GLN 78 1.313 -3.157 -4.050 586 2HB GLN 78 HB1 GLN 78 0.748 -4.103 -5.427 587 1HG GLN 78 HG2 GLN 78 2.017 -2.553 -6.931 588 2HG GLN 78 HG1 GLN 78 2.690 -1.775 -5.499 589 1HE2 GLN 78 HE22 GLN 78 5.308 -4.158 -5.913 590 2HE2 GLN 78 HE21 GLN 78 4.870 -2.535 -6.135 591 H PHE 79 HN PHE 79 -1.876 -3.254 -6.620 592 HA PHE 79 HA PHE 79 -3.696 -3.533 -4.251 593 1HB PHE 79 HB2 PHE 79 -4.235 -3.509 -7.232 594 2HB PHE 79 HB1 PHE 79 -5.461 -3.810 -5.995 595 HD1 PHE 79 HD2 PHE 79 -2.977 -1.336 -7.221 596 HD2 PHE 79 HD1 PHE 79 -6.373 -2.031 -4.694 597 HE1 PHE 79 HE2 PHE 79 -3.168 1.098 -6.811 598 HE2 PHE 79 HE1 PHE 79 -6.571 0.403 -4.284 599 HZ PHE 79 HZ PHE 79 -4.969 1.968 -5.340 600 H PHE 80 HN PHE 80 -4.183 -5.505 -3.522 601 HA PHE 80 HA PHE 80 -3.512 -7.867 -5.218 602 1HB PHE 80 HB2 PHE 80 -3.047 -7.476 -2.263 603 2HB PHE 80 HB1 PHE 80 -2.992 -9.056 -3.043 604 HD1 PHE 80 HD2 PHE 80 -1.318 -5.754 -2.751 605 HD2 PHE 80 HD1 PHE 80 -1.212 -9.647 -4.587 606 HE1 PHE 80 HE2 PHE 80 1.033 -5.382 -3.428 607 HE2 PHE 80 HE1 PHE 80 1.140 -9.262 -5.260 608 HZ PHE 80 HZ PHE 80 2.263 -7.128 -4.681 609 H LYS 81 HN LYS 81 -4.952 -9.581 -5.136 610 HA LYS 81 HA LYS 81 -7.312 -9.372 -3.368 611 1HB LYS 81 HB2 LYS 81 -7.700 -8.156 -5.627 612 2HB LYS 81 HB1 LYS 81 -7.618 -9.752 -6.360 613 1HG LYS 81 HG2 LYS 81 -9.933 -9.377 -5.997 614 2HG LYS 81 HG1 LYS 81 -9.438 -10.440 -4.689 615 1HD LYS 81 HD2 LYS 81 -9.430 -8.674 -3.100 616 2HD LYS 81 HD1 LYS 81 -9.483 -7.440 -4.358 617 1HE LYS 81 HE2 LYS 81 -11.743 -8.158 -4.979 618 2HE LYS 81 HE1 LYS 81 -11.686 -9.427 -3.755 619 1HZ LYS 81 HZ3 LYS 81 -11.184 -7.514 -2.155 620 2HZ LYS 81 HZ2 LYS 81 -11.779 -6.503 -3.382 621 3HZ LYS 81 HZ1 LYS 81 -12.779 -7.695 -2.699 622 H LYS 82 HN LYS 82 -7.708 -11.396 -2.605 623 HA LYS 82 HA LYS 82 -7.509 -13.717 -2.327 624 1HB LYS 82 HB2 LYS 82 -7.594 -13.681 -5.365 625 2HB LYS 82 HB1 LYS 82 -7.835 -15.103 -4.351 626 1HG LYS 82 HG2 LYS 82 -9.720 -13.719 -3.223 627 2HG LYS 82 HG1 LYS 82 -9.607 -12.685 -4.642 628 1HD LYS 82 HD2 LYS 82 -9.877 -14.766 -6.062 629 2HD LYS 82 HD1 LYS 82 -10.267 -15.629 -4.573 630 1HE LYS 82 HE2 LYS 82 -12.084 -13.940 -4.151 631 2HE LYS 82 HE1 LYS 82 -11.757 -13.268 -5.749 632 1HZ LYS 82 HZ2 LYS 82 -12.151 -15.538 -6.649 633 2HZ LYS 82 HZ1 LYS 82 -12.687 -16.010 -5.106 634 3HZ LYS 82 HZ3 LYS 82 -13.524 -14.809 -5.966 635 H GLY 83 HN GLY 83 -5.029 -12.152 -2.492 636 1HA GLY 83 HA2 GLY 83 -2.758 -12.737 -2.333 637 2HA GLY 83 HA1 GLY 83 -3.198 -14.384 -2.775 638 H GLN 84 HN GLN 84 -4.238 -11.816 -4.882 639 HA GLN 84 HA GLN 84 -1.982 -12.410 -6.753 640 1HB GLN 84 HB2 GLN 84 -4.930 -12.257 -7.430 641 2HB GLN 84 HB1 GLN 84 -3.631 -12.364 -8.616 642 1HG GLN 84 HG2 GLN 84 -2.893 -14.502 -7.530 643 2HG GLN 84 HG1 GLN 84 -4.324 -14.417 -6.500 644 1HE2 GLN 84 HE22 GLN 84 -6.410 -14.575 -9.654 645 2HE2 GLN 84 HE21 GLN 84 -6.136 -13.345 -8.514 646 H LYS 85 HN LYS 85 -1.228 -10.602 -7.918 647 HA LYS 85 HA LYS 85 -2.068 -7.976 -6.928 648 1HB LYS 85 HB2 LYS 85 0.296 -8.562 -7.517 649 2HB LYS 85 HB1 LYS 85 -0.187 -8.614 -9.211 650 1HG LYS 85 HG2 LYS 85 -1.003 -6.245 -8.978 651 2HG LYS 85 HG1 LYS 85 -0.316 -6.220 -7.355 652 1HD LYS 85 HD2 LYS 85 1.257 -6.830 -9.871 653 2HD LYS 85 HD1 LYS 85 1.229 -5.261 -9.071 654 1HE LYS 85 HE2 LYS 85 1.947 -6.629 -6.945 655 2HE LYS 85 HE1 LYS 85 2.439 -7.848 -8.121 656 1HZ LYS 85 HZ3 LYS 85 3.367 -5.412 -9.059 657 2HZ LYS 85 HZ2 LYS 85 3.743 -5.453 -7.402 658 3HZ LYS 85 HZ1 LYS 85 4.284 -6.693 -8.430 659 H VAL 86 HN VAL 86 -3.630 -6.725 -7.799 660 HA VAL 86 HA VAL 86 -4.537 -7.290 -10.600 661 HB VAL 86 HB VAL 86 -6.798 -6.469 -9.784 662 1HG1 VAL 86 HG11 VAL 86 -6.064 -8.929 -10.032 663 2HG1 VAL 86 HG13 VAL 86 -5.870 -8.924 -8.279 664 3HG1 VAL 86 HG12 VAL 86 -7.453 -8.616 -8.993 665 1HG2 VAL 86 HG22 VAL 86 -5.835 -5.375 -7.720 666 2HG2 VAL 86 HG21 VAL 86 -7.216 -6.424 -7.403 667 3HG2 VAL 86 HG23 VAL 86 -5.582 -6.989 -7.053 668 H GLY 87 HN GLY 87 -2.730 -5.122 -9.066 669 1HA GLY 87 HA2 GLY 87 -3.253 -3.050 -10.957 670 2HA GLY 87 HA1 GLY 87 -4.061 -2.629 -9.451 671 H GLU 88 HN GLU 88 -1.845 -1.272 -10.751 672 HA GLU 88 HA GLU 88 -0.126 -0.915 -8.447 673 1HB GLU 88 HB2 GLU 88 1.113 -2.768 -9.176 674 2HB GLU 88 HB1 GLU 88 0.856 -2.399 -10.873 675 1HG GLU 88 HG2 GLU 88 3.178 -1.959 -10.248 676 2HG GLU 88 HG1 GLU 88 2.396 -0.439 -10.643 677 H PHE 89 HN PHE 89 0.712 1.133 -8.453 678 HA PHE 89 HA PHE 89 1.231 2.557 -10.921 679 1HB PHE 89 HB2 PHE 89 -0.499 4.158 -10.945 680 2HB PHE 89 HB1 PHE 89 -1.329 2.640 -10.639 681 HD1 PHE 89 HD1 PHE 89 0.134 5.617 -8.901 682 HD2 PHE 89 HD2 PHE 89 -2.711 2.406 -8.738 683 HE1 PHE 89 HE1 PHE 89 -0.856 6.602 -6.849 684 HE2 PHE 89 HE2 PHE 89 -3.705 3.389 -6.688 685 HZ PHE 89 HZ PHE 89 -2.788 5.494 -5.745 686 H SER 90 HN SER 90 2.109 4.706 -10.543 687 HA SER 90 HA SER 90 3.123 5.103 -7.743 688 1HB SER 90 HB2 SER 90 5.227 5.919 -8.731 689 2HB SER 90 HB1 SER 90 4.925 4.247 -9.206 690 HG SER 90 HG SER 90 5.515 5.978 -10.864 691 H GLY 91 HN GLY 91 3.759 7.333 -7.292 692 1HA GLY 91 HA2 GLY 91 3.735 9.695 -8.205 693 2HA GLY 91 HA1 GLY 91 2.151 9.324 -8.877 694 H ALA 92 HN ALA 92 3.104 11.297 -6.745 695 HA ALA 92 HA ALA 92 1.829 10.348 -4.293 696 1HB ALA 92 HB3 ALA 92 3.015 12.963 -5.220 697 2HB ALA 92 HB2 ALA 92 2.135 12.869 -3.698 698 3HB ALA 92 HB1 ALA 92 3.587 11.894 -3.943 699 H ASN 93 HN ASN 93 -0.204 9.843 -5.722 700 HA ASN 93 HA ASN 93 -2.019 12.240 -5.717 701 1HB ASN 93 HB2 ASN 93 -1.485 11.255 -7.994 702 2HB ASN 93 HB1 ASN 93 -2.300 9.784 -7.460 703 1HD2 ASN 93 HD22 ASN 93 -5.091 12.599 -7.013 704 2HD2 ASN 93 HD21 ASN 93 -3.826 12.338 -5.912 705 H LYS 94 HN LYS 94 -2.927 11.942 -3.681 706 HA LYS 94 HA LYS 94 -3.631 9.366 -2.595 707 1HB LYS 94 HB2 LYS 94 -4.927 10.774 -0.937 708 2HB LYS 94 HB1 LYS 94 -3.219 11.165 -1.087 709 1HG LYS 94 HG2 LYS 94 -4.918 12.681 -2.975 710 2HG LYS 94 HG1 LYS 94 -5.312 13.005 -1.297 711 1HD LYS 94 HD2 LYS 94 -2.453 13.061 -2.263 712 2HD LYS 94 HD1 LYS 94 -3.503 14.461 -2.427 713 1HE LYS 94 HE2 LYS 94 -3.881 14.526 -0.023 714 2HE LYS 94 HE1 LYS 94 -2.938 13.052 0.198 715 1HZ LYS 94 HZ2 LYS 94 -1.015 14.220 -0.732 716 2HZ LYS 94 HZ1 LYS 94 -1.934 15.644 -0.844 717 3HZ LYS 94 HZ3 LYS 94 -1.595 14.975 0.675 718 H GLU 95 HN GLU 95 -5.484 11.762 -4.442 719 HA GLU 95 HA GLU 95 -8.070 10.610 -4.011 720 1HB GLU 95 HB2 GLU 95 -7.006 12.198 -6.365 721 2HB GLU 95 HB1 GLU 95 -8.708 11.884 -6.037 722 1HG GLU 95 HG2 GLU 95 -6.848 13.292 -4.107 723 2HG GLU 95 HG1 GLU 95 -7.936 14.127 -5.212 724 H LYS 96 HN LYS 96 -5.443 9.839 -6.163 725 HA LYS 96 HA LYS 96 -6.806 8.216 -8.064 726 1HB LYS 96 HB2 LYS 96 -4.419 9.049 -8.112 727 2HB LYS 96 HB1 LYS 96 -4.023 7.782 -6.972 728 1HG LYS 96 HG2 LYS 96 -4.490 6.061 -8.506 729 2HG LYS 96 HG1 LYS 96 -5.393 7.132 -9.578 730 1HD LYS 96 HD2 LYS 96 -2.488 7.751 -9.038 731 2HD LYS 96 HD1 LYS 96 -2.882 6.443 -10.157 732 1HE LYS 96 HE2 LYS 96 -4.191 7.945 -11.541 733 2HE LYS 96 HE1 LYS 96 -3.983 9.258 -10.385 734 1HZ LYS 96 HZ1 LYS 96 -1.798 7.915 -11.882 735 2HZ LYS 96 HZ3 LYS 96 -2.440 9.444 -12.239 736 3HZ LYS 96 HZ2 LYS 96 -1.607 9.194 -10.779 737 H LEU 97 HN LEU 97 -5.489 7.485 -4.859 738 HA LEU 97 HA LEU 97 -5.756 4.660 -4.887 739 1HB LEU 97 HB2 LEU 97 -6.057 6.710 -2.672 740 2HB LEU 97 HB1 LEU 97 -6.126 4.982 -2.366 741 HG LEU 97 HG LEU 97 -3.787 6.262 -3.787 742 1HD1 LEU 97 HD11 LEU 97 -4.082 7.335 -1.578 743 2HD1 LEU 97 HD13 LEU 97 -4.124 5.750 -0.813 744 3HD1 LEU 97 HD12 LEU 97 -2.646 6.313 -1.591 745 1HD2 LEU 97 HD21 LEU 97 -4.511 3.554 -3.273 746 2HD2 LEU 97 HD23 LEU 97 -2.953 4.146 -3.841 747 3HD2 LEU 97 HD22 LEU 97 -3.236 3.919 -2.118 748 H GLU 98 HN GLU 98 -8.013 7.255 -4.208 749 HA GLU 98 HA GLU 98 -10.184 5.636 -3.267 750 1HB GLU 98 HB2 GLU 98 -10.024 8.111 -2.992 751 2HB GLU 98 HB1 GLU 98 -10.338 8.296 -4.716 752 1HG GLU 98 HG2 GLU 98 -12.438 8.597 -3.588 753 2HG GLU 98 HG1 GLU 98 -12.505 7.010 -4.351 754 H ALA 99 HN ALA 99 -9.347 6.726 -6.554 755 HA ALA 99 HA ALA 99 -11.747 5.673 -7.729 756 1HB ALA 99 HB2 ALA 99 -10.318 7.396 -8.815 757 2HB ALA 99 HB1 ALA 99 -9.081 6.168 -9.080 758 3HB ALA 99 HB3 ALA 99 -10.649 6.026 -9.873 759 H THR 100 HN THR 100 -8.468 4.275 -7.441 760 HA THR 100 HA THR 100 -9.102 1.921 -8.945 761 HB THR 100 HB THR 100 -7.080 2.092 -6.697 762 HG1 THR 100 HG1 THR 100 -6.744 3.799 -8.120 763 1HG2 THR 100 HG21 THR 100 -7.337 0.423 -9.214 764 2HG2 THR 100 HG23 THR 100 -5.895 0.457 -8.202 765 3HG2 THR 100 HG22 THR 100 -7.419 -0.150 -7.549 766 H ILE 101 HN ILE 101 -9.342 2.651 -5.479 767 HA ILE 101 HA ILE 101 -10.023 0.019 -4.581 768 HB ILE 101 HB ILE 101 -10.742 2.776 -3.535 769 1HG1 ILE 101 HG12 ILE 101 -8.912 0.731 -2.259 770 2HG1 ILE 101 HG11 ILE 101 -8.312 1.787 -3.536 771 1HG2 ILE 101 HG22 ILE 101 -11.362 0.034 -2.418 772 2HG2 ILE 101 HG21 ILE 101 -11.267 1.460 -1.385 773 3HG2 ILE 101 HG23 ILE 101 -12.469 1.383 -2.674 774 1HD1 ILE 101 HD12 ILE 101 -9.112 3.760 -2.194 775 2HD1 ILE 101 HD11 ILE 101 -9.525 2.646 -0.891 776 3HD1 ILE 101 HD13 ILE 101 -7.844 2.832 -1.394 777 H ASN 102 HN ASN 102 -12.129 2.780 -5.455 778 HA ASN 102 HA ASN 102 -14.601 1.376 -5.211 779 1HB ASN 102 HB2 ASN 102 -14.304 3.887 -5.477 780 2HB ASN 102 HB1 ASN 102 -14.004 3.598 -7.191 781 1HD2 ASN 102 HD22 ASN 102 -17.504 3.993 -7.595 782 2HD2 ASN 102 HD21 ASN 102 -15.970 4.655 -7.892 783 H GLU 103 HN GLU 103 -12.244 1.629 -7.781 784 HA GLU 103 HA GLU 103 -13.816 0.433 -9.849 785 1HB GLU 103 HB2 GLU 103 -11.664 1.765 -10.113 786 2HB GLU 103 HB1 GLU 103 -10.809 0.331 -9.558 787 1HG GLU 103 HG2 GLU 103 -10.789 0.224 -11.952 788 2HG GLU 103 HG1 GLU 103 -11.972 -0.965 -11.408 789 H LEU 104 HN LEU 104 -11.561 -0.924 -7.459 790 HA LEU 104 HA LEU 104 -12.127 -3.663 -8.477 791 1HB LEU 104 HB2 LEU 104 -10.134 -2.687 -6.418 792 2HB LEU 104 HB1 LEU 104 -10.259 -4.338 -7.012 793 HG LEU 104 HG LEU 104 -9.619 -1.896 -8.701 794 1HD1 LEU 104 HD13 LEU 104 -7.901 -4.191 -7.707 795 2HD1 LEU 104 HD12 LEU 104 -7.375 -2.978 -8.876 796 3HD1 LEU 104 HD11 LEU 104 -7.770 -2.500 -7.225 797 1HD2 LEU 104 HD21 LEU 104 -10.073 -4.815 -9.342 798 2HD2 LEU 104 HD23 LEU 104 -10.644 -3.390 -10.210 799 3HD2 LEU 104 HD22 LEU 104 -8.953 -3.870 -10.325 800 H VAL 105 HN VAL 105 -13.470 -1.612 -6.191 801 HA VAL 105 HA VAL 105 -13.739 -3.402 -3.953 802 HB VAL 105 HB VAL 105 -14.268 -0.880 -3.994 803 1HG1 VAL 105 HG13 VAL 105 -15.874 -1.264 -6.016 804 2HG1 VAL 105 HG12 VAL 105 -17.041 -1.755 -4.793 805 3HG1 VAL 105 HG11 VAL 105 -16.361 -0.127 -4.762 806 1HG2 VAL 105 HG22 VAL 105 -16.151 -2.905 -2.760 807 2HG2 VAL 105 HG21 VAL 105 -14.730 -2.170 -2.017 808 3HG2 VAL 105 HG23 VAL 105 -16.161 -1.192 -2.338 809 HA PRO 59 HA PRO 106 14.412 15.922 -13.867 810 1HB PRO 59 HB2 PRO 106 16.978 15.564 -12.338 811 2HB PRO 59 HB1 PRO 106 16.518 14.921 -13.929 812 1HG PRO 59 HG2 PRO 106 18.147 17.007 -13.733 813 2HG PRO 59 HG1 PRO 106 16.911 16.934 -15.003 814 1HD PRO 59 HD2 PRO 106 16.955 18.598 -12.518 815 2HD PRO 59 HD1 PRO 106 16.219 18.949 -14.098 816 H ALA 60 HN ALA 107 15.223 16.909 -10.574 817 HA ALA 60 HA ALA 107 14.164 14.398 -9.430 818 1HB ALA 60 HB3 ALA 107 16.130 15.716 -8.453 819 2HB ALA 60 HB2 ALA 107 14.945 16.915 -7.935 820 3HB ALA 60 HB1 ALA 107 14.863 15.268 -7.313 821 H THR 61 HN THR 108 12.033 14.162 -8.992 822 HA THR 61 HA THR 108 10.298 16.610 -8.871 823 HB THR 61 HB THR 108 9.444 13.738 -9.355 824 HG1 THR 61 HG1 THR 108 9.690 15.745 -11.317 825 1HG2 THR 61 HG21 THR 108 7.745 15.401 -8.534 826 2HG2 THR 61 HG23 THR 108 8.064 16.362 -9.977 827 3HG2 THR 61 HG22 THR 108 7.382 14.742 -10.128 828 H LEU 62 HN LEU 109 9.331 17.066 -6.948 829 HA LEU 62 HA LEU 109 9.944 15.569 -4.575 830 1HB LEU 62 HB2 LEU 109 7.950 17.771 -5.150 831 2HB LEU 62 HB1 LEU 109 8.197 17.105 -3.539 832 HG LEU 62 HG LEU 109 10.452 18.232 -5.225 833 1HD1 LEU 62 HD13 LEU 109 8.732 19.962 -4.783 834 2HD1 LEU 62 HD12 LEU 109 8.846 19.621 -3.057 835 3HD1 LEU 62 HD11 LEU 109 10.231 20.293 -3.918 836 1HD2 LEU 62 HD21 LEU 109 10.163 17.277 -2.374 837 2HD2 LEU 62 HD23 LEU 109 11.457 16.958 -3.528 838 3HD2 LEU 62 HD22 LEU 109 11.343 18.530 -2.747 839 H LYS 63 HN LYS 110 7.259 15.548 -6.804 840 HA LYS 63 HA LYS 110 5.311 14.209 -5.234 841 1HB LYS 63 HB2 LYS 110 5.877 14.019 -8.210 842 2HB LYS 63 HB1 LYS 110 4.396 13.465 -7.436 843 1HG LYS 63 HG2 LYS 110 5.402 16.326 -7.329 844 2HG LYS 63 HG1 LYS 110 4.207 15.745 -8.481 845 1HD LYS 63 HD2 LYS 110 2.862 14.967 -6.409 846 2HD LYS 63 HD1 LYS 110 3.941 16.007 -5.479 847 1HE LYS 63 HE2 LYS 110 3.332 17.921 -6.922 848 2HE LYS 63 HE1 LYS 110 2.219 16.886 -7.814 849 1HZ LYS 63 HZ3 LYS 110 2.059 17.379 -4.891 850 2HZ LYS 63 HZ2 LYS 110 1.149 18.224 -6.051 851 3HZ LYS 63 HZ1 LYS 110 0.930 16.552 -5.848 852 H ILE 64 HN ILE 111 8.264 13.114 -6.647 853 HA ILE 64 HA ILE 111 7.680 10.284 -5.804 854 HB ILE 64 HB ILE 111 9.229 11.277 -8.226 855 1HG1 ILE 64 HG12 ILE 111 6.813 11.239 -8.588 856 2HG1 ILE 64 HG11 ILE 111 7.572 9.937 -9.493 857 1HG2 ILE 64 HG21 ILE 111 8.947 8.486 -7.089 858 2HG2 ILE 64 HG23 ILE 111 9.518 8.829 -8.722 859 3HG2 ILE 64 HG22 ILE 111 10.441 9.394 -7.331 860 1HD1 ILE 64 HD11 ILE 111 7.031 8.567 -7.240 861 2HD1 ILE 64 HD13 ILE 111 5.775 9.796 -7.112 862 3HD1 ILE 64 HD12 ILE 111 5.845 8.749 -8.528 863 H CYS 65 HN CYS 112 9.376 9.299 -4.596 864 HA CYS 65 HA CYS 112 11.715 11.057 -3.970 865 1HB CYS 65 HB2 CYS 112 11.136 8.496 -2.479 866 2HB CYS 65 HB1 CYS 112 11.960 9.941 -1.915 867 H SER 66 HN SER 113 13.637 10.522 -4.944 868 HA SER 66 HA SER 113 13.788 8.200 -6.684 869 1HB SER 66 HB2 SER 113 15.920 10.177 -5.826 870 2HB SER 66 HB1 SER 113 16.111 8.986 -7.109 871 HG SER 66 HG SER 113 14.615 10.033 -8.306 872 H TRP 67 HN TRP 114 14.880 6.278 -6.392 873 HA TRP 67 HA TRP 114 15.556 5.468 -3.678 874 1HB TRP 67 HB2 TRP 114 15.797 4.088 -6.368 875 2HB TRP 67 HB1 TRP 114 16.292 3.325 -4.856 876 HD1 TRP 67 HD1 TRP 114 13.186 5.335 -5.949 877 HE1 TRP 67 HE1 TRP 114 11.083 4.083 -5.143 878 HE3 TRP 67 HE3 TRP 114 15.343 1.295 -3.707 879 HZ2 TRP 67 HZ2 TRP 114 10.431 1.708 -3.703 880 HZ3 TRP 67 HZ3 TRP 114 13.963 -0.435 -2.626 881 HH2 TRP 67 HH2 TRP 114 11.507 -0.230 -2.633 882 H ASN 68 HN ASN 115 17.197 7.107 -6.140 883 HA ASN 68 HA ASN 115 19.834 6.133 -6.055 884 1HB ASN 68 HB2 ASN 115 18.824 8.996 -6.162 885 2HB ASN 68 HB1 ASN 115 20.518 8.557 -6.388 886 1HD2 ASN 68 HD22 ASN 115 18.596 6.505 -9.231 887 2HD2 ASN 68 HD21 ASN 115 18.608 6.044 -7.599 888 H VAL 69 HN VAL 116 17.932 7.350 -3.510 889 HA VAL 69 HA VAL 116 19.929 8.565 -1.861 890 HB VAL 69 HB VAL 116 18.363 7.978 0.029 891 1HG1 VAL 69 HG13 VAL 116 18.112 10.029 -1.401 892 2HG1 VAL 69 HG12 VAL 116 16.979 9.129 -2.409 893 3HG1 VAL 69 HG11 VAL 116 16.590 9.454 -0.719 894 1HG2 VAL 69 HG22 VAL 116 17.591 5.822 -1.189 895 2HG2 VAL 69 HG21 VAL 116 16.353 6.774 -0.375 896 3HG2 VAL 69 HG23 VAL 116 16.540 6.883 -2.123 897 H ASP 70 HN ASP 117 21.262 7.665 -0.241 898 HA ASP 70 HA ASP 117 22.342 5.074 -0.726 899 1HB ASP 70 HB2 ASP 117 22.493 6.873 1.705 900 2HB ASP 70 HB1 ASP 117 23.397 5.363 1.563 901 H GLY 71 HN GLY 118 19.908 6.171 1.622 902 1HA GLY 71 HA2 GLY 118 18.433 3.802 1.713 903 2HA GLY 71 HA1 GLY 118 19.692 3.602 2.933 No H/Q in entry = 903 Start of MODEL 26 1 1H MET 1 HT2 MET 1 -8.881 -1.519 9.607 2 2H MET 1 HT1 MET 1 -9.245 -2.251 11.096 3 3H MET 1 HT3 MET 1 -9.663 -0.631 10.825 4 HA MET 1 HA MET 1 -7.670 0.113 11.423 5 1HB MET 1 HB2 MET 1 -7.320 -2.809 12.167 6 2HB MET 1 HB1 MET 1 -6.306 -1.494 12.759 7 1HG MET 1 HG2 MET 1 -9.307 -1.670 13.156 8 2HG MET 1 HG1 MET 1 -8.107 -2.109 14.370 9 1HE MET 1 HE2 MET 1 -10.365 -0.206 14.943 10 2HE MET 1 HE1 MET 1 -9.098 -0.427 16.148 11 3HE MET 1 HE3 MET 1 -9.636 1.200 15.709 12 H VAL 2 HN VAL 2 -5.224 -0.106 11.143 13 HA VAL 2 HA VAL 2 -4.666 -1.031 8.359 14 HB VAL 2 HB VAL 2 -3.126 0.804 10.222 15 1HG1 VAL 2 HG12 VAL 2 -2.560 -0.262 7.451 16 2HG1 VAL 2 HG11 VAL 2 -1.903 1.288 7.980 17 3HG1 VAL 2 HG13 VAL 2 -1.481 -0.188 8.845 18 1HG2 VAL 2 HG22 VAL 2 -5.327 1.605 9.188 19 2HG2 VAL 2 HG21 VAL 2 -3.906 2.581 8.814 20 3HG2 VAL 2 HG23 VAL 2 -4.536 1.445 7.621 21 H LYS 3 HN LYS 3 -2.536 -2.091 7.973 22 HA LYS 3 HA LYS 3 -1.513 -3.645 10.324 23 1HB LYS 3 HB2 LYS 3 -3.007 -5.037 8.854 24 2HB LYS 3 HB1 LYS 3 -1.937 -4.691 7.504 25 1HG LYS 3 HG2 LYS 3 -1.244 -6.818 8.314 26 2HG LYS 3 HG1 LYS 3 -0.049 -5.684 8.929 27 1HD LYS 3 HD2 LYS 3 -0.992 -5.717 11.119 28 2HD LYS 3 HD1 LYS 3 -2.458 -6.522 10.555 29 1HE LYS 3 HE2 LYS 3 -1.021 -8.156 11.655 30 2HE LYS 3 HE1 LYS 3 -1.069 -8.502 9.926 31 1HZ LYS 3 HZ2 LYS 3 0.996 -6.647 10.661 32 2HZ LYS 3 HZ1 LYS 3 1.181 -8.169 11.395 33 3HZ LYS 3 HZ3 LYS 3 1.083 -8.050 9.706 34 H GLN 4 HN GLN 4 0.677 -3.495 10.500 35 HA GLN 4 HA GLN 4 2.175 -2.201 8.268 36 1HB GLN 4 HB2 GLN 4 2.360 -1.221 10.548 37 2HB GLN 4 HB1 GLN 4 3.020 -2.745 11.134 38 1HG GLN 4 HG2 GLN 4 4.890 -2.540 9.495 39 2HG GLN 4 HG1 GLN 4 4.242 -0.977 8.990 40 1HE2 GLN 4 HE22 GLN 4 6.560 0.251 11.417 41 2HE2 GLN 4 HE21 GLN 4 6.329 -0.027 9.760 42 H ILE 5 HN ILE 5 3.388 -3.457 6.979 43 HA ILE 5 HA ILE 5 4.061 -6.243 7.825 44 HB ILE 5 HB ILE 5 4.360 -4.937 5.115 45 1HG1 ILE 5 HG12 ILE 5 2.028 -4.785 5.754 46 2HG1 ILE 5 HG11 ILE 5 2.206 -6.080 4.574 47 1HG2 ILE 5 HG22 ILE 5 5.610 -7.091 5.679 48 2HG2 ILE 5 HG21 ILE 5 4.027 -7.864 5.785 49 3HG2 ILE 5 HG23 ILE 5 4.555 -7.140 4.272 50 1HD1 ILE 5 HD11 ILE 5 2.448 -7.636 6.661 51 2HD1 ILE 5 HD13 ILE 5 1.736 -6.286 7.543 52 3HD1 ILE 5 HD12 ILE 5 0.842 -7.053 6.231 53 H GLU 6 HN GLU 6 6.066 -6.357 8.783 54 HA GLU 6 HA GLU 6 8.165 -4.410 7.959 55 1HB GLU 6 HB2 GLU 6 8.084 -6.383 10.258 56 2HB GLU 6 HB1 GLU 6 9.367 -5.207 9.960 57 1HG GLU 6 HG2 GLU 6 6.467 -4.426 10.343 58 2HG GLU 6 HG1 GLU 6 7.636 -4.490 11.665 59 H SER 7 HN SER 7 7.146 -7.419 7.016 60 HA SER 7 HA SER 7 9.782 -7.990 5.817 61 1HB SER 7 HB2 SER 7 9.864 -10.307 6.674 62 2HB SER 7 HB1 SER 7 9.963 -9.133 7.988 63 HG SER 7 HG SER 7 8.212 -11.080 7.661 64 H LYS 8 HN LYS 8 9.671 -9.647 4.155 65 HA LYS 8 HA LYS 8 7.227 -9.603 2.632 66 1HB LYS 8 HB2 LYS 8 9.584 -9.998 1.712 67 2HB LYS 8 HB1 LYS 8 9.451 -11.630 2.368 68 1HG LYS 8 HG2 LYS 8 7.425 -12.024 1.035 69 2HG LYS 8 HG1 LYS 8 7.529 -10.389 0.386 70 1HD LYS 8 HD2 LYS 8 8.461 -11.995 -1.214 71 2HD LYS 8 HD1 LYS 8 9.729 -10.931 -0.611 72 1HE LYS 8 HE2 LYS 8 10.695 -12.617 0.700 73 2HE LYS 8 HE1 LYS 8 9.210 -13.574 0.743 74 1HZ LYS 8 HZ1 LYS 8 10.799 -13.078 -1.714 75 2HZ LYS 8 HZ3 LYS 8 10.955 -14.465 -0.752 76 3HZ LYS 8 HZ2 LYS 8 9.485 -14.140 -1.540 77 H THR 9 HN THR 9 8.611 -11.763 5.023 78 HA THR 9 HA THR 9 6.986 -14.040 4.580 79 HB THR 9 HB THR 9 7.883 -13.010 7.281 80 HG1 THR 9 HG1 THR 9 9.320 -14.757 5.609 81 1HG2 THR 9 HG21 THR 9 7.406 -15.806 6.209 82 2HG2 THR 9 HG23 THR 9 7.963 -15.409 7.836 83 3HG2 THR 9 HG22 THR 9 6.346 -14.937 7.318 84 H ALA 10 HN ALA 10 6.434 -11.209 6.658 85 HA ALA 10 HA ALA 10 3.803 -12.051 7.483 86 1HB ALA 10 HB2 ALA 10 5.097 -9.307 7.418 87 2HB ALA 10 HB1 ALA 10 3.537 -9.651 8.166 88 3HB ALA 10 HB3 ALA 10 5.005 -10.395 8.803 89 H PHE 11 HN PHE 11 5.087 -10.316 4.714 90 HA PHE 11 HA PHE 11 2.686 -9.108 3.767 91 1HB PHE 11 HB2 PHE 11 5.043 -8.816 2.830 92 2HB PHE 11 HB1 PHE 11 4.840 -10.361 2.034 93 HD1 PHE 11 HD1 PHE 11 2.973 -7.128 2.468 94 HD2 PHE 11 HD2 PHE 11 4.030 -10.365 -0.153 95 HE1 PHE 11 HE1 PHE 11 1.774 -6.019 0.603 96 HE2 PHE 11 HE2 PHE 11 2.829 -9.258 -2.010 97 HZ PHE 11 HZ PHE 11 1.702 -7.086 -1.634 98 H GLN 12 HN GLN 12 4.074 -12.324 3.172 99 HA GLN 12 HA GLN 12 2.007 -13.247 1.407 100 1HB GLN 12 HB2 GLN 12 3.729 -14.840 3.343 101 2HB GLN 12 HB1 GLN 12 2.874 -15.491 1.946 102 1HG GLN 12 HG2 GLN 12 5.058 -13.385 1.823 103 2HG GLN 12 HG1 GLN 12 5.276 -15.095 1.449 104 1HE2 GLN 12 HE22 GLN 12 3.232 -14.865 -1.566 105 2HE2 GLN 12 HE21 GLN 12 3.478 -15.902 -0.247 106 H GLU 13 HN GLU 13 2.467 -13.483 4.906 107 HA GLU 13 HA GLU 13 0.115 -15.009 5.487 108 1HB GLU 13 HB2 GLU 13 1.771 -13.088 7.142 109 2HB GLU 13 HB1 GLU 13 0.487 -14.077 7.819 110 1HG GLU 13 HG2 GLU 13 2.878 -15.178 6.313 111 2HG GLU 13 HG1 GLU 13 2.760 -15.106 8.075 112 H ALA 14 HN ALA 14 0.681 -11.532 5.257 113 HA ALA 14 HA ALA 14 -1.880 -10.763 6.303 114 1HB ALA 14 HB2 ALA 14 0.258 -9.338 5.944 115 2HB ALA 14 HB1 ALA 14 -0.319 -9.149 4.287 116 3HB ALA 14 HB3 ALA 14 -1.299 -8.573 5.633 117 H LEU 15 HN LEU 15 -0.663 -11.370 3.024 118 HA LEU 15 HA LEU 15 -3.018 -10.621 1.625 119 1HB LEU 15 HB2 LEU 15 -0.885 -12.674 1.016 120 2HB LEU 15 HB1 LEU 15 -2.158 -12.247 -0.126 121 HG LEU 15 HG LEU 15 -0.325 -10.183 1.113 122 1HD1 LEU 15 HD13 LEU 15 0.058 -11.917 -1.324 123 2HD1 LEU 15 HD12 LEU 15 0.789 -10.317 -1.228 124 3HD1 LEU 15 HD11 LEU 15 1.207 -11.547 -0.038 125 1HD2 LEU 15 HD23 LEU 15 -2.281 -10.221 -1.194 126 2HD2 LEU 15 HD22 LEU 15 -2.192 -9.089 0.151 127 3HD2 LEU 15 HD21 LEU 15 -0.987 -9.026 -1.125 128 H ASP 16 HN ASP 16 -2.029 -13.675 3.127 129 HA ASP 16 HA ASP 16 -4.342 -15.131 2.241 130 1HB ASP 16 HB2 ASP 16 -2.170 -16.150 3.068 131 2HB ASP 16 HB1 ASP 16 -2.697 -15.740 4.703 132 H ALA 17 HN ALA 17 -3.636 -13.134 5.056 133 HA ALA 17 HA ALA 17 -5.924 -13.927 6.611 134 1HB ALA 17 HB2 ALA 17 -4.272 -11.389 6.627 135 2HB ALA 17 HB1 ALA 17 -5.530 -11.749 7.810 136 3HB ALA 17 HB3 ALA 17 -4.100 -12.776 7.704 137 H ALA 18 HN ALA 18 -5.389 -11.310 4.281 138 HA ALA 18 HA ALA 18 -7.896 -9.997 4.607 139 1HB ALA 18 HB3 ALA 18 -6.007 -9.063 3.301 140 2HB ALA 18 HB2 ALA 18 -6.248 -10.317 2.082 141 3HB ALA 18 HB1 ALA 18 -7.494 -9.098 2.354 142 H GLY 19 HN GLY 19 -6.945 -12.815 2.700 143 1HA GLY 19 HA2 GLY 19 -8.267 -14.484 1.722 144 2HA GLY 19 HA1 GLY 19 -9.644 -13.824 2.606 145 H ASP 20 HN ASP 20 -11.236 -13.218 1.204 146 HA ASP 20 HA ASP 20 -10.534 -12.500 -1.569 147 1HB ASP 20 HB2 ASP 20 -13.231 -12.787 -0.213 148 2HB ASP 20 HB1 ASP 20 -12.971 -12.541 -1.941 149 H LYS 21 HN LYS 21 -10.619 -10.760 1.222 150 HA LYS 21 HA LYS 21 -12.166 -8.450 0.357 151 1HB LYS 21 HB2 LYS 21 -10.054 -8.817 2.510 152 2HB LYS 21 HB1 LYS 21 -10.938 -7.313 2.263 153 1HG LYS 21 HG2 LYS 21 -13.074 -8.799 2.459 154 2HG LYS 21 HG1 LYS 21 -11.991 -9.987 3.181 155 1HD LYS 21 HD2 LYS 21 -11.229 -8.054 4.734 156 2HD LYS 21 HD1 LYS 21 -12.685 -7.224 4.185 157 1HE LYS 21 HE2 LYS 21 -14.036 -9.193 4.901 158 2HE LYS 21 HE1 LYS 21 -12.566 -9.935 5.531 159 1HZ LYS 21 HZ1 LYS 21 -13.321 -7.222 6.383 160 2HZ LYS 21 HZ3 LYS 21 -14.068 -8.567 7.097 161 3HZ LYS 21 HZ2 LYS 21 -12.384 -8.386 7.197 162 H LEU 22 HN LEU 22 -11.321 -6.462 -0.495 163 HA LEU 22 HA LEU 22 -9.152 -6.694 -2.324 164 1HB LEU 22 HB2 LEU 22 -11.151 -4.848 -1.847 165 2HB LEU 22 HB1 LEU 22 -9.743 -3.973 -1.280 166 HG LEU 22 HG LEU 22 -10.121 -5.172 -4.029 167 1HD1 LEU 22 HD13 LEU 22 -10.660 -2.525 -2.858 168 2HD1 LEU 22 HD12 LEU 22 -9.597 -2.426 -4.254 169 3HD1 LEU 22 HD11 LEU 22 -11.172 -3.199 -4.400 170 1HD2 LEU 22 HD21 LEU 22 -7.738 -3.866 -2.701 171 2HD2 LEU 22 HD23 LEU 22 -7.791 -5.361 -3.639 172 3HD2 LEU 22 HD22 LEU 22 -7.948 -3.811 -4.449 173 H VAL 23 HN VAL 23 -7.008 -5.549 -2.099 174 HA VAL 23 HA VAL 23 -6.177 -4.971 0.678 175 HB VAL 23 HB VAL 23 -4.872 -7.076 -1.075 176 1HG1 VAL 23 HG13 VAL 23 -4.034 -5.734 1.497 177 2HG1 VAL 23 HG12 VAL 23 -3.398 -7.302 1.015 178 3HG1 VAL 23 HG11 VAL 23 -3.112 -5.888 0.004 179 1HG2 VAL 23 HG22 VAL 23 -6.383 -7.175 1.544 180 2HG2 VAL 23 HG21 VAL 23 -6.751 -8.041 0.052 181 3HG2 VAL 23 HG23 VAL 23 -5.332 -8.480 1.001 182 H VAL 24 HN VAL 24 -5.301 -2.996 0.443 183 HA VAL 24 HA VAL 24 -3.794 -2.374 -2.059 184 HB VAL 24 HB VAL 24 -4.739 -0.502 0.145 185 1HG1 VAL 24 HG11 VAL 24 -2.774 0.247 -1.238 186 2HG1 VAL 24 HG13 VAL 24 -3.783 0.078 -2.677 187 3HG1 VAL 24 HG12 VAL 24 -4.200 1.261 -1.441 188 1HG2 VAL 24 HG21 VAL 24 -5.939 -1.276 -2.523 189 2HG2 VAL 24 HG23 VAL 24 -6.686 -1.414 -0.934 190 3HG2 VAL 24 HG22 VAL 24 -6.412 0.175 -1.647 191 H VAL 25 HN VAL 25 -1.584 -1.835 -1.925 192 HA VAL 25 HA VAL 25 -0.315 -2.055 0.797 193 HB VAL 25 HB VAL 25 0.839 -3.011 -1.841 194 1HG1 VAL 25 HG11 VAL 25 2.424 -2.296 0.017 195 2HG1 VAL 25 HG13 VAL 25 1.736 -3.605 0.975 196 3HG1 VAL 25 HG12 VAL 25 2.594 -3.964 -0.521 197 1HG2 VAL 25 HG21 VAL 25 -1.155 -4.328 -1.037 198 2HG2 VAL 25 HG23 VAL 25 0.339 -5.261 -1.098 199 3HG2 VAL 25 HG22 VAL 25 -0.264 -4.663 0.447 200 H ASP 26 HN ASP 26 0.662 -0.182 1.333 201 HA ASP 26 HA ASP 26 1.464 1.711 -0.843 202 1HB ASP 26 HB2 ASP 26 0.008 2.588 0.941 203 2HB ASP 26 HB1 ASP 26 1.216 2.159 2.151 204 H PHE 27 HN PHE 27 3.539 1.676 -1.444 205 HA PHE 27 HA PHE 27 5.636 0.598 0.370 206 1HB PHE 27 HB2 PHE 27 5.590 1.281 -2.584 207 2HB PHE 27 HB1 PHE 27 7.069 0.826 -1.723 208 HD1 PHE 27 HD1 PHE 27 7.214 -1.424 -0.605 209 HD2 PHE 27 HD2 PHE 27 3.981 -0.355 -3.224 210 HE1 PHE 27 HE1 PHE 27 6.651 -3.825 -0.888 211 HE2 PHE 27 HE2 PHE 27 3.419 -2.748 -3.491 212 HZ PHE 27 HZ PHE 27 4.747 -4.485 -2.336 213 H SER 28 HN SER 28 4.334 3.338 0.611 214 HA SER 28 HA SER 28 6.149 5.333 -0.252 215 1HB SER 28 HB2 SER 28 4.492 5.312 2.288 216 2HB SER 28 HB1 SER 28 5.222 6.728 1.550 217 HG SER 28 HG SER 28 2.872 5.917 1.073 218 H ALA 29 HN ALA 29 7.948 6.257 0.687 219 HA ALA 29 HA ALA 29 9.408 4.529 2.578 220 1HB ALA 29 HB3 ALA 29 10.067 6.768 0.722 221 2HB ALA 29 HB2 ALA 29 11.034 6.708 2.196 222 3HB ALA 29 HB1 ALA 29 11.002 5.324 1.102 223 H THR 30 HN THR 30 9.289 4.887 4.740 224 HA THR 30 HA THR 30 7.750 7.081 5.797 225 HB THR 30 HB THR 30 7.995 4.928 6.994 226 HG1 THR 30 HG1 THR 30 8.116 5.853 8.940 227 1HG2 THR 30 HG22 THR 30 10.415 4.639 6.270 228 2HG2 THR 30 HG21 THR 30 10.845 5.765 7.558 229 3HG2 THR 30 HG23 THR 30 10.071 4.228 7.949 230 H TRP 31 HN TRP 31 11.152 6.490 5.189 231 HA TRP 31 HA TRP 31 12.157 8.757 6.675 232 1HB TRP 31 HB2 TRP 31 14.232 8.356 5.472 233 2HB TRP 31 HB1 TRP 31 13.543 6.824 5.998 234 HD1 TRP 31 HD1 TRP 31 12.899 5.106 4.203 235 HE1 TRP 31 HE1 TRP 31 13.135 5.005 1.638 236 HE3 TRP 31 HE3 TRP 31 13.992 9.987 3.250 237 HZ2 TRP 31 HZ2 TRP 31 13.665 6.791 -0.534 238 HZ3 TRP 31 HZ3 TRP 31 14.326 10.770 0.929 239 HH2 TRP 31 HH2 TRP 31 14.163 9.184 -0.963 240 H CYS 32 HN CYS 32 10.696 8.426 3.516 241 HA CYS 32 HA CYS 32 11.745 11.020 2.589 242 1HB CYS 32 HB2 CYS 32 11.148 8.964 1.108 243 2HB CYS 32 HB1 CYS 32 9.475 9.460 1.320 244 H GLY 33 HN GLY 33 10.898 12.839 3.408 245 1HA GLY 33 HA2 GLY 33 8.624 12.957 5.079 246 2HA GLY 33 HA1 GLY 33 9.368 14.355 4.311 247 HA PRO 34 HA PRO 34 6.211 14.871 1.268 248 1HB PRO 34 HB2 PRO 34 7.556 13.300 -0.885 249 2HB PRO 34 HB1 PRO 34 7.024 14.988 -0.894 250 1HG PRO 34 HG2 PRO 34 9.643 14.300 -0.723 251 2HG PRO 34 HG1 PRO 34 8.996 15.758 0.052 252 1HD PRO 34 HD2 PRO 34 9.852 13.192 1.304 253 2HD PRO 34 HD1 PRO 34 9.819 14.824 2.009 254 H ALA 35 HN ALA 35 7.468 11.551 1.227 255 HA ALA 35 HA ALA 35 4.943 10.415 0.296 256 1HB ALA 35 HB1 ALA 35 7.441 9.518 0.114 257 2HB ALA 35 HB3 ALA 35 7.046 8.754 1.652 258 3HB ALA 35 HB2 ALA 35 6.088 8.397 0.214 259 H LYS 36 HN LYS 36 6.688 10.476 3.428 260 HA LYS 36 HA LYS 36 4.690 9.086 4.922 261 1HB LYS 36 HB2 LYS 36 7.031 9.664 5.714 262 2HB LYS 36 HB1 LYS 36 6.458 11.313 5.977 263 1HG LYS 36 HG2 LYS 36 4.655 10.377 7.463 264 2HG LYS 36 HG1 LYS 36 5.411 8.792 7.299 265 1HD LYS 36 HD2 LYS 36 7.516 9.695 8.223 266 2HD LYS 36 HD1 LYS 36 6.759 11.280 8.393 267 1HE LYS 36 HE2 LYS 36 5.083 10.309 9.932 268 2HE LYS 36 HE1 LYS 36 5.860 8.733 9.776 269 1HZ LYS 36 HZ3 LYS 36 7.576 10.969 10.508 270 2HZ LYS 36 HZ2 LYS 36 6.470 10.447 11.689 271 3HZ LYS 36 HZ1 LYS 36 7.601 9.359 11.041 272 H MET 37 HN MET 37 5.028 12.410 3.899 273 HA MET 37 HA MET 37 3.042 13.650 5.505 274 1HB MET 37 HB2 MET 37 4.690 14.805 3.988 275 2HB MET 37 HB1 MET 37 3.716 14.281 2.619 276 1HG MET 37 HG2 MET 37 2.999 16.501 3.111 277 2HG MET 37 HG1 MET 37 1.742 15.446 3.747 278 1HE MET 37 HE1 MET 37 2.572 18.534 4.413 279 2HE MET 37 HE3 MET 37 1.088 17.768 4.997 280 3HE MET 37 HE2 MET 37 2.159 18.593 6.125 281 H ILE 38 HN ILE 38 2.812 11.663 2.629 282 HA ILE 38 HA ILE 38 -0.013 12.288 2.182 283 HB ILE 38 HB ILE 38 1.763 10.169 0.920 284 1HG1 ILE 38 HG12 ILE 38 0.849 12.827 -0.221 285 2HG1 ILE 38 HG11 ILE 38 2.372 12.650 0.644 286 1HG2 ILE 38 HG22 ILE 38 -1.063 11.097 0.407 287 2HG2 ILE 38 HG21 ILE 38 -0.081 10.464 -0.912 288 3HG2 ILE 38 HG23 ILE 38 -0.430 9.452 0.483 289 1HD1 ILE 38 HD13 ILE 38 2.916 10.762 -0.989 290 2HD1 ILE 38 HD12 ILE 38 1.541 11.323 -1.938 291 3HD1 ILE 38 HD11 ILE 38 2.915 12.394 -1.647 292 H LYS 39 HN LYS 39 1.505 10.354 4.455 293 HA LYS 39 HA LYS 39 -0.012 7.971 4.269 294 1HB LYS 39 HB2 LYS 39 0.722 7.369 6.405 295 2HB LYS 39 HB1 LYS 39 2.006 8.386 5.784 296 1HG LYS 39 HG2 LYS 39 1.447 10.185 7.208 297 2HG LYS 39 HG1 LYS 39 -0.165 9.568 7.547 298 1HD LYS 39 HD2 LYS 39 2.405 8.206 8.393 299 2HD LYS 39 HD1 LYS 39 1.442 9.253 9.434 300 1HE LYS 39 HE2 LYS 39 0.455 7.273 10.053 301 2HE LYS 39 HE1 LYS 39 -0.486 7.505 8.582 302 1HZ LYS 39 HZ2 LYS 39 1.808 6.354 7.702 303 2HZ LYS 39 HZ1 LYS 39 1.532 5.561 9.179 304 3HZ LYS 39 HZ3 LYS 39 0.334 5.548 7.975 305 HA PRO 40 HA PRO 40 -3.226 10.109 7.277 306 1HB PRO 40 HB2 PRO 40 -3.657 12.612 5.729 307 2HB PRO 40 HB1 PRO 40 -3.557 12.379 7.483 308 1HG PRO 40 HG2 PRO 40 -1.580 13.582 6.108 309 2HG PRO 40 HG1 PRO 40 -1.241 12.549 7.504 310 1HD PRO 40 HD2 PRO 40 -0.945 11.940 4.597 311 2HD PRO 40 HD1 PRO 40 0.092 11.429 5.944 312 H PHE 41 HN PHE 41 -3.292 10.905 3.770 313 HA PHE 41 HA PHE 41 -6.121 10.364 3.528 314 1HB PHE 41 HB2 PHE 41 -3.838 10.475 1.544 315 2HB PHE 41 HB1 PHE 41 -5.466 10.042 1.057 316 HD1 PHE 41 HD2 PHE 41 -3.502 12.690 2.776 317 HD2 PHE 41 HD1 PHE 41 -7.102 11.701 0.646 318 HE1 PHE 41 HE2 PHE 41 -4.105 15.091 2.687 319 HE2 PHE 41 HE1 PHE 41 -7.707 14.106 0.564 320 HZ PHE 41 HZ PHE 41 -6.211 15.800 1.581 321 H PHE 42 HN PHE 42 -3.198 8.434 2.880 322 HA PHE 42 HA PHE 42 -4.579 6.065 2.054 323 1HB PHE 42 HB2 PHE 42 -2.195 6.453 1.616 324 2HB PHE 42 HB1 PHE 42 -1.850 6.414 3.349 325 HD1 PHE 42 HD1 PHE 42 -3.091 4.385 0.485 326 HD2 PHE 42 HD2 PHE 42 -1.617 4.351 4.519 327 HE1 PHE 42 HE1 PHE 42 -2.924 1.914 0.403 328 HE2 PHE 42 HE2 PHE 42 -1.449 1.876 4.436 329 HZ PHE 42 HZ PHE 42 -2.103 0.658 2.377 330 H HIS 43 HN HIS 43 -3.186 6.963 5.197 331 HA HIS 43 HA HIS 43 -4.167 4.670 6.602 332 1HB HIS 43 HB2 HIS 43 -2.268 6.029 7.371 333 2HB HIS 43 HB1 HIS 43 -3.335 7.411 7.611 334 HD1 HIS 43 HD1 HIS 43 -2.270 4.200 9.140 335 HD2 HIS 43 HD2 HIS 43 -5.159 7.117 9.807 336 HE1 HIS 43 HE1 HIS 43 -3.269 3.706 11.418 337 H SER 44 HN SER 44 -5.507 7.959 6.195 338 HA SER 44 HA SER 44 -7.686 7.653 8.024 339 1HB SER 44 HB2 SER 44 -7.484 9.389 5.550 340 2HB SER 44 HB1 SER 44 -8.753 9.511 6.764 341 HG SER 44 HG SER 44 -7.353 10.843 7.635 342 H LEU 45 HN LEU 45 -7.361 6.831 4.596 343 HA LEU 45 HA LEU 45 -10.116 6.333 4.111 344 1HB LEU 45 HB2 LEU 45 -7.619 5.256 2.818 345 2HB LEU 45 HB1 LEU 45 -9.223 4.856 2.233 346 HG LEU 45 HG LEU 45 -8.415 7.739 2.656 347 1HD1 LEU 45 HD13 LEU 45 -6.718 6.715 1.171 348 2HD1 LEU 45 HD12 LEU 45 -8.006 6.114 0.126 349 3HD1 LEU 45 HD11 LEU 45 -7.745 7.849 0.293 350 1HD2 LEU 45 HD22 LEU 45 -10.543 6.291 1.079 351 2HD2 LEU 45 HD21 LEU 45 -10.733 7.571 2.273 352 3HD2 LEU 45 HD23 LEU 45 -10.080 7.941 0.680 353 H SER 46 HN SER 46 -7.778 4.470 5.863 354 HA SER 46 HA SER 46 -8.810 1.867 5.514 355 1HB SER 46 HB2 SER 46 -7.771 3.111 8.084 356 2HB SER 46 HB1 SER 46 -7.940 1.386 7.775 357 HG SER 46 HG SER 46 -6.096 3.221 6.783 358 H GLU 47 HN GLU 47 -9.994 4.552 7.518 359 HA GLU 47 HA GLU 47 -12.176 2.879 8.611 360 1HB GLU 47 HB2 GLU 47 -11.436 5.809 8.927 361 2HB GLU 47 HB1 GLU 47 -12.857 5.084 9.673 362 1HG GLU 47 HG2 GLU 47 -11.123 5.023 11.320 363 2HG GLU 47 HG1 GLU 47 -11.289 3.373 10.720 364 H LYS 48 HN LYS 48 -11.638 4.909 5.844 365 HA LYS 48 HA LYS 48 -14.466 5.643 5.524 366 1HB LYS 48 HB2 LYS 48 -12.621 7.042 4.542 367 2HB LYS 48 HB1 LYS 48 -12.248 5.708 3.450 368 1HG LYS 48 HG2 LYS 48 -14.603 5.804 2.598 369 2HG LYS 48 HG1 LYS 48 -14.873 7.220 3.612 370 1HD LYS 48 HD2 LYS 48 -13.032 8.394 2.429 371 2HD LYS 48 HD1 LYS 48 -12.830 6.987 1.387 372 1HE LYS 48 HE2 LYS 48 -15.116 7.230 0.551 373 2HE LYS 48 HE1 LYS 48 -15.395 8.583 1.650 374 1HZ LYS 48 HZ2 LYS 48 -13.367 8.514 -0.522 375 2HZ LYS 48 HZ1 LYS 48 -14.847 9.344 -0.580 376 3HZ LYS 48 HZ3 LYS 48 -13.653 9.818 0.529 377 H TYR 49 HN TYR 49 -12.199 3.226 4.355 378 HA TYR 49 HA TYR 49 -14.512 1.648 3.247 379 1HB TYR 49 HB2 TYR 49 -11.644 1.760 2.221 380 2HB TYR 49 HB1 TYR 49 -12.886 0.659 1.631 381 HD1 TYR 49 HD2 TYR 49 -15.119 1.760 0.823 382 HD2 TYR 49 HD1 TYR 49 -11.390 3.863 1.188 383 HE1 TYR 49 HE2 TYR 49 -15.949 3.500 -0.732 384 HE2 TYR 49 HE1 TYR 49 -12.226 5.598 -0.371 385 HH TYR 49 HH TYR 49 -14.943 5.196 -2.301 386 H SER 50 HN SER 50 -14.336 1.101 5.695 387 HA SER 50 HA SER 50 -12.139 -0.450 6.661 388 1HB SER 50 HB2 SER 50 -13.593 -1.041 8.480 389 2HB SER 50 HB1 SER 50 -13.973 0.614 8.048 390 HG SER 50 HG SER 50 -15.769 -0.989 8.317 391 H ASN 51 HN ASN 51 -14.284 -1.039 4.215 392 HA ASN 51 HA ASN 51 -14.586 -3.925 4.554 393 1HB ASN 51 HB2 ASN 51 -16.347 -2.921 3.320 394 2HB ASN 51 HB1 ASN 51 -15.231 -1.951 2.363 395 1HD2 ASN 51 HD22 ASN 51 -16.336 -5.507 0.919 396 2HD2 ASN 51 HD21 ASN 51 -17.143 -4.730 2.194 397 H VAL 52 HN VAL 52 -12.224 -1.765 3.253 398 HA VAL 52 HA VAL 52 -10.907 -4.013 1.802 399 HB VAL 52 HB VAL 52 -10.570 -1.004 1.635 400 1HG1 VAL 52 HG12 VAL 52 -8.820 -3.247 0.697 401 2HG1 VAL 52 HG11 VAL 52 -9.076 -1.915 -0.431 402 3HG1 VAL 52 HG13 VAL 52 -8.389 -1.606 1.161 403 1HG2 VAL 52 HG23 VAL 52 -11.743 -3.138 -0.164 404 2HG2 VAL 52 HG22 VAL 52 -12.492 -1.649 0.409 405 3HG2 VAL 52 HG21 VAL 52 -11.214 -1.584 -0.799 406 H ILE 53 HN ILE 53 -8.684 -4.469 2.291 407 HA ILE 53 HA ILE 53 -7.884 -3.570 5.037 408 HB ILE 53 HB ILE 53 -6.634 -5.742 3.330 409 1HG1 ILE 53 HG12 ILE 53 -8.978 -6.323 3.591 410 2HG1 ILE 53 HG11 ILE 53 -8.035 -7.324 4.689 411 1HG2 ILE 53 HG23 ILE 53 -5.510 -4.704 5.454 412 2HG2 ILE 53 HG22 ILE 53 -6.707 -5.632 6.342 413 3HG2 ILE 53 HG21 ILE 53 -5.559 -6.453 5.286 414 1HD1 ILE 53 HD12 ILE 53 -8.519 -5.480 6.453 415 2HD1 ILE 53 HD11 ILE 53 -9.782 -4.955 5.342 416 3HD1 ILE 53 HD13 ILE 53 -9.830 -6.581 6.025 417 H PHE 54 HN PHE 54 -6.417 -1.912 5.114 418 HA PHE 54 HA PHE 54 -4.694 -1.364 2.730 419 1HB PHE 54 HB2 PHE 54 -5.267 0.290 5.209 420 2HB PHE 54 HB1 PHE 54 -4.210 0.793 3.894 421 HD1 PHE 54 HD1 PHE 54 -7.710 -0.317 4.614 422 HD2 PHE 54 HD2 PHE 54 -5.102 1.888 2.008 423 HE1 PHE 54 HE1 PHE 54 -9.679 0.564 3.385 424 HE2 PHE 54 HE2 PHE 54 -7.074 2.751 0.770 425 HZ PHE 54 HZ PHE 54 -9.355 2.088 1.458 426 H LEU 55 HN LEU 55 -2.564 -1.936 2.783 427 HA LEU 55 HA LEU 55 -1.289 -2.508 5.441 428 1HB LEU 55 HB2 LEU 55 -0.651 -3.631 2.694 429 2HB LEU 55 HB1 LEU 55 0.391 -3.852 4.098 430 HG LEU 55 HG LEU 55 -1.386 -5.058 5.266 431 1HD1 LEU 55 HD11 LEU 55 -3.048 -4.163 2.929 432 2HD1 LEU 55 HD13 LEU 55 -3.442 -5.681 3.741 433 3HD1 LEU 55 HD12 LEU 55 -3.430 -4.184 4.651 434 1HD2 LEU 55 HD22 LEU 55 -0.968 -6.009 2.420 435 2HD2 LEU 55 HD21 LEU 55 0.048 -6.376 3.812 436 3HD2 LEU 55 HD23 LEU 55 -1.593 -7.013 3.731 437 H GLU 56 HN GLU 56 0.640 -1.529 5.923 438 HA GLU 56 HA GLU 56 1.607 0.553 3.991 439 1HB GLU 56 HB2 GLU 56 0.797 1.346 6.270 440 2HB GLU 56 HB1 GLU 56 2.128 0.433 6.981 441 1HG GLU 56 HG2 GLU 56 3.725 1.713 5.549 442 2HG GLU 56 HG1 GLU 56 2.374 2.680 4.953 443 H VAL 57 HN VAL 57 3.659 0.265 3.219 444 HA VAL 57 HA VAL 57 5.368 -1.831 4.531 445 HB VAL 57 HB VAL 57 5.058 -1.309 1.561 446 1HG1 VAL 57 HG13 VAL 57 6.541 -3.410 3.156 447 2HG1 VAL 57 HG12 VAL 57 6.267 -3.496 1.418 448 3HG1 VAL 57 HG11 VAL 57 7.246 -2.193 2.091 449 1HG2 VAL 57 HG22 VAL 57 3.905 -3.437 3.376 450 2HG2 VAL 57 HG21 VAL 57 3.019 -2.285 2.376 451 3HG2 VAL 57 HG23 VAL 57 3.954 -3.575 1.618 452 H ASP 58 HN ASP 58 7.403 -1.149 4.971 453 HA ASP 58 HA ASP 58 8.280 1.548 4.085 454 1HB ASP 58 HB2 ASP 58 8.389 0.751 6.504 455 2HB ASP 58 HB1 ASP 58 9.640 -0.377 5.978 456 H VAL 59 HN VAL 59 9.590 1.642 2.267 457 HA VAL 59 HA VAL 59 10.725 -0.768 1.112 458 HB VAL 59 HB VAL 59 11.974 0.822 -0.366 459 1HG1 VAL 59 HG12 VAL 59 9.044 1.458 0.096 460 2HG1 VAL 59 HG11 VAL 59 9.949 1.846 -1.367 461 3HG1 VAL 59 HG13 VAL 59 9.681 0.164 -0.921 462 1HG2 VAL 59 HG23 VAL 59 12.318 2.579 1.398 463 2HG2 VAL 59 HG22 VAL 59 11.655 3.223 -0.103 464 3HG2 VAL 59 HG21 VAL 59 10.603 2.967 1.287 465 H ASP 60 HN ASP 60 11.699 1.409 3.597 466 HA ASP 60 HA ASP 60 14.551 0.621 3.402 467 1HB ASP 60 HB2 ASP 60 12.981 2.603 5.032 468 2HB ASP 60 HB1 ASP 60 14.608 2.159 5.512 469 H ASP 61 HN ASP 61 11.866 0.237 5.781 470 HA ASP 61 HA ASP 61 13.610 -1.639 7.315 471 1HB ASP 61 HB2 ASP 61 10.768 -0.745 7.915 472 2HB ASP 61 HB1 ASP 61 11.837 -1.645 8.984 473 H ALA 62 HN ALA 62 11.284 -1.617 4.864 474 HA ALA 62 HA ALA 62 10.825 -4.559 5.168 475 1HB ALA 62 HB1 ALA 62 8.864 -2.618 5.318 476 2HB ALA 62 HB3 ALA 62 8.806 -3.041 3.608 477 3HB ALA 62 HB2 ALA 62 8.568 -4.287 4.836 478 H GLN 63 HN GLN 63 13.004 -3.281 3.847 479 HA GLN 63 HA GLN 63 12.648 -2.883 1.063 480 1HB GLN 63 HB2 GLN 63 15.056 -3.210 0.880 481 2HB GLN 63 HB1 GLN 63 14.715 -2.299 2.351 482 1HG GLN 63 HG2 GLN 63 14.720 -4.544 3.574 483 2HG GLN 63 HG1 GLN 63 15.416 -5.229 2.104 484 1HE2 GLN 63 HE22 GLN 63 17.821 -3.293 4.653 485 2HE2 GLN 63 HE21 GLN 63 16.242 -3.777 5.043 486 H ASP 64 HN ASP 64 12.762 -5.821 2.947 487 HA ASP 64 HA ASP 64 13.426 -7.580 0.779 488 1HB ASP 64 HB2 ASP 64 12.304 -9.325 2.236 489 2HB ASP 64 HB1 ASP 64 13.597 -8.431 3.023 490 H VAL 65 HN VAL 65 10.393 -6.240 2.038 491 HA VAL 65 HA VAL 65 8.668 -7.770 0.314 492 HB VAL 65 HB VAL 65 8.039 -4.990 1.332 493 1HG1 VAL 65 HG12 VAL 65 6.399 -7.499 0.887 494 2HG1 VAL 65 HG11 VAL 65 5.770 -5.975 1.516 495 3HG1 VAL 65 HG13 VAL 65 6.398 -6.057 -0.130 496 1HG2 VAL 65 HG21 VAL 65 8.206 -7.565 2.892 497 2HG2 VAL 65 HG23 VAL 65 8.900 -5.998 3.290 498 3HG2 VAL 65 HG22 VAL 65 7.159 -6.244 3.396 499 H ALA 66 HN ALA 66 10.069 -4.499 0.088 500 HA ALA 66 HA ALA 66 8.838 -3.908 -2.452 501 1HB ALA 66 HB2 ALA 66 9.841 -2.299 -0.641 502 2HB ALA 66 HB1 ALA 66 11.354 -2.551 -1.516 503 3HB ALA 66 HB3 ALA 66 9.955 -1.867 -2.346 504 H SER 67 HN SER 67 12.001 -5.201 -1.511 505 HA SER 67 HA SER 67 13.257 -4.994 -4.050 506 1HB SER 67 HB2 SER 67 14.771 -6.742 -3.254 507 2HB SER 67 HB1 SER 67 14.440 -5.608 -1.948 508 HG SER 67 HG SER 67 13.946 -7.413 -0.948 509 H GLU 68 HN GLU 68 11.099 -7.464 -2.732 510 HA GLU 68 HA GLU 68 11.379 -9.357 -4.857 511 1HB GLU 68 HB2 GLU 68 10.271 -9.785 -2.641 512 2HB GLU 68 HB1 GLU 68 8.910 -8.807 -3.184 513 1HG GLU 68 HG2 GLU 68 9.905 -11.183 -4.768 514 2HG GLU 68 HG1 GLU 68 8.698 -11.350 -3.492 515 H ALA 69 HN ALA 69 9.291 -6.545 -4.411 516 HA ALA 69 HA ALA 69 7.882 -7.011 -6.937 517 1HB ALA 69 HB3 ALA 69 6.845 -5.987 -4.869 518 2HB ALA 69 HB2 ALA 69 7.814 -4.548 -5.186 519 3HB ALA 69 HB1 ALA 69 6.600 -5.068 -6.352 520 H GLU 70 HN GLU 70 10.909 -5.800 -6.262 521 HA GLU 70 HA GLU 70 12.380 -4.409 -7.452 522 1HB GLU 70 HB2 GLU 70 10.459 -5.177 -9.667 523 2HB GLU 70 HB1 GLU 70 11.952 -4.282 -9.935 524 1HG GLU 70 HG2 GLU 70 12.506 -6.556 -10.327 525 2HG GLU 70 HG1 GLU 70 13.146 -6.189 -8.727 526 H VAL 71 HN VAL 71 10.601 -2.930 -5.955 527 HA VAL 71 HA VAL 71 9.056 -1.067 -7.479 528 HB VAL 71 HB VAL 71 10.466 -0.529 -4.840 529 1HG1 VAL 71 HG12 VAL 71 8.050 0.648 -6.249 530 2HG1 VAL 71 HG11 VAL 71 8.411 0.942 -4.550 531 3HG1 VAL 71 HG13 VAL 71 9.541 1.475 -5.797 532 1HG2 VAL 71 HG23 VAL 71 7.834 -1.924 -5.464 533 2HG2 VAL 71 HG22 VAL 71 9.202 -2.573 -4.563 534 3HG2 VAL 71 HG21 VAL 71 8.223 -1.277 -3.870 535 H LYS 72 HN LYS 72 9.686 0.724 -8.609 536 HA LYS 72 HA LYS 72 12.603 1.332 -8.695 537 1HB LYS 72 HB2 LYS 72 10.396 1.899 -10.688 538 2HB LYS 72 HB1 LYS 72 12.087 2.346 -10.902 539 1HG LYS 72 HG2 LYS 72 11.312 -0.528 -10.352 540 2HG LYS 72 HG1 LYS 72 11.251 0.120 -11.989 541 1HD LYS 72 HD2 LYS 72 13.672 0.859 -11.659 542 2HD LYS 72 HD1 LYS 72 13.673 -0.100 -10.181 543 1HE LYS 72 HE2 LYS 72 14.555 -1.469 -11.974 544 2HE LYS 72 HE1 LYS 72 12.960 -2.085 -11.543 545 1HZ LYS 72 HZ3 LYS 72 13.175 -0.051 -13.649 546 2HZ LYS 72 HZ2 LYS 72 13.590 -1.656 -14.019 547 3HZ LYS 72 HZ1 LYS 72 12.029 -1.286 -13.457 548 H ALA 73 HN ALA 73 9.620 2.576 -7.589 549 HA ALA 73 HA ALA 73 10.933 5.057 -6.795 550 1HB ALA 73 HB2 ALA 73 10.105 5.301 -9.257 551 2HB ALA 73 HB1 ALA 73 8.506 5.447 -8.525 552 3HB ALA 73 HB3 ALA 73 9.779 6.595 -8.110 553 H THR 74 HN THR 74 9.671 6.295 -5.299 554 HA THR 74 HA THR 74 7.186 4.963 -4.296 555 HB THR 74 HB THR 74 7.909 5.373 -2.006 556 HG1 THR 74 HG1 THR 74 10.273 6.250 -2.070 557 1HG2 THR 74 HG21 THR 74 10.173 4.258 -3.648 558 2HG2 THR 74 HG23 THR 74 10.038 4.116 -1.898 559 3HG2 THR 74 HG22 THR 74 8.837 3.351 -2.940 560 HA PRO 75 HA PRO 75 5.819 5.599 -2.521 561 1HB PRO 75 HB2 PRO 75 3.248 6.609 -2.499 562 2HB PRO 75 HB1 PRO 75 4.501 7.030 -1.328 563 1HG PRO 75 HG2 PRO 75 3.403 8.663 -3.539 564 2HG PRO 75 HG1 PRO 75 4.227 9.175 -2.059 565 1HD PRO 75 HD2 PRO 75 5.357 9.043 -4.687 566 2HD PRO 75 HD1 PRO 75 6.230 9.372 -3.163 567 H THR 76 HN THR 76 4.805 3.747 -3.212 568 HA THR 76 HA THR 76 3.387 3.816 -5.845 569 HB THR 76 HB THR 76 5.323 1.677 -4.926 570 HG1 THR 76 HG1 THR 76 6.239 2.522 -7.058 571 1HG2 THR 76 HG22 THR 76 3.536 1.952 -7.352 572 2HG2 THR 76 HG21 THR 76 4.931 0.872 -7.321 573 3HG2 THR 76 HG23 THR 76 3.596 0.623 -6.196 574 H PHE 77 HN PHE 77 1.497 2.812 -5.834 575 HA PHE 77 HA PHE 77 0.698 1.305 -3.372 576 1HB PHE 77 HB2 PHE 77 -1.010 2.753 -5.423 577 2HB PHE 77 HB1 PHE 77 -1.601 1.950 -3.965 578 HD1 PHE 77 HD1 PHE 77 -1.028 2.851 -1.707 579 HD2 PHE 77 HD2 PHE 77 0.089 4.888 -5.326 580 HE1 PHE 77 HE1 PHE 77 -0.596 4.919 -0.409 581 HE2 PHE 77 HE2 PHE 77 0.526 6.958 -4.026 582 HZ PHE 77 HZ PHE 77 0.180 6.976 -1.568 583 H GLN 78 HN GLN 78 0.185 -0.819 -3.629 584 HA GLN 78 HA GLN 78 -0.285 -1.850 -6.414 585 1HB GLN 78 HB2 GLN 78 1.227 -3.119 -4.120 586 2HB GLN 78 HB1 GLN 78 0.736 -3.996 -5.568 587 1HG GLN 78 HG2 GLN 78 1.963 -2.258 -6.924 588 2HG GLN 78 HG1 GLN 78 2.598 -1.609 -5.415 589 1HE2 GLN 78 HE22 GLN 78 5.299 -3.853 -6.016 590 2HE2 GLN 78 HE21 GLN 78 4.807 -2.230 -6.079 591 H PHE 79 HN PHE 79 -1.994 -3.183 -6.656 592 HA PHE 79 HA PHE 79 -3.751 -3.550 -4.252 593 1HB PHE 79 HB2 PHE 79 -4.375 -3.531 -7.218 594 2HB PHE 79 HB1 PHE 79 -5.558 -3.839 -5.939 595 HD1 PHE 79 HD2 PHE 79 -3.133 -1.352 -7.250 596 HD2 PHE 79 HD1 PHE 79 -6.469 -2.053 -4.647 597 HE1 PHE 79 HE2 PHE 79 -3.336 1.085 -6.859 598 HE2 PHE 79 HE1 PHE 79 -6.673 0.380 -4.243 599 HZ PHE 79 HZ PHE 79 -5.113 1.948 -5.349 600 H PHE 80 HN PHE 80 -4.202 -5.543 -3.558 601 HA PHE 80 HA PHE 80 -3.511 -7.875 -5.287 602 1HB PHE 80 HB2 PHE 80 -2.970 -7.482 -2.343 603 2HB PHE 80 HB1 PHE 80 -2.932 -9.063 -3.118 604 HD1 PHE 80 HD2 PHE 80 -1.277 -5.763 -2.869 605 HD2 PHE 80 HD1 PHE 80 -1.185 -9.659 -4.693 606 HE1 PHE 80 HE2 PHE 80 1.058 -5.375 -3.596 607 HE2 PHE 80 HE1 PHE 80 1.153 -9.262 -5.419 608 HZ PHE 80 HZ PHE 80 2.274 -7.118 -4.869 609 H LYS 81 HN LYS 81 -4.958 -9.624 -5.167 610 HA LYS 81 HA LYS 81 -7.221 -9.423 -3.252 611 1HB LYS 81 HB2 LYS 81 -7.794 -8.190 -5.442 612 2HB LYS 81 HB1 LYS 81 -7.730 -9.767 -6.226 613 1HG LYS 81 HG2 LYS 81 -9.384 -10.545 -4.410 614 2HG LYS 81 HG1 LYS 81 -9.610 -8.836 -4.048 615 1HD LYS 81 HD2 LYS 81 -9.960 -9.964 -6.840 616 2HD LYS 81 HD1 LYS 81 -11.282 -9.853 -5.685 617 1HE LYS 81 HE2 LYS 81 -10.860 -7.402 -5.480 618 2HE LYS 81 HE1 LYS 81 -9.620 -7.537 -6.726 619 1HZ LYS 81 HZ3 LYS 81 -11.735 -8.783 -7.851 620 2HZ LYS 81 HZ2 LYS 81 -12.485 -7.529 -6.984 621 3HZ LYS 81 HZ1 LYS 81 -11.289 -7.171 -8.136 622 H LYS 82 HN LYS 82 -7.620 -11.467 -2.505 623 HA LYS 82 HA LYS 82 -7.406 -13.785 -2.253 624 1HB LYS 82 HB2 LYS 82 -7.528 -13.683 -5.290 625 2HB LYS 82 HB1 LYS 82 -7.616 -15.157 -4.331 626 1HG LYS 82 HG2 LYS 82 -9.578 -14.030 -3.099 627 2HG LYS 82 HG1 LYS 82 -9.593 -12.878 -4.434 628 1HD LYS 82 HD2 LYS 82 -9.684 -14.899 -5.995 629 2HD LYS 82 HD1 LYS 82 -10.015 -15.870 -4.561 630 1HE LYS 82 HE2 LYS 82 -11.968 -14.394 -4.066 631 2HE LYS 82 HE1 LYS 82 -11.670 -13.545 -5.585 632 1HZ LYS 82 HZ2 LYS 82 -11.950 -16.476 -5.548 633 2HZ LYS 82 HZ1 LYS 82 -13.333 -15.488 -5.552 634 3HZ LYS 82 HZ3 LYS 82 -12.217 -15.393 -6.827 635 H GLY 83 HN GLY 83 -5.017 -12.029 -2.543 636 1HA GLY 83 HA2 GLY 83 -2.707 -12.444 -2.392 637 2HA GLY 83 HA1 GLY 83 -3.035 -14.147 -2.717 638 H GLN 84 HN GLN 84 -4.293 -11.706 -4.876 639 HA GLN 84 HA GLN 84 -2.163 -12.360 -6.862 640 1HB GLN 84 HB2 GLN 84 -5.156 -12.256 -7.295 641 2HB GLN 84 HB1 GLN 84 -3.989 -12.264 -8.615 642 1HG GLN 84 HG2 GLN 84 -4.061 -14.399 -6.468 643 2HG GLN 84 HG1 GLN 84 -4.932 -14.540 -7.995 644 1HE2 GLN 84 HE22 GLN 84 -1.175 -13.990 -9.178 645 2HE2 GLN 84 HE21 GLN 84 -2.223 -12.741 -8.686 646 H LYS 85 HN LYS 85 -1.355 -10.624 -7.994 647 HA LYS 85 HA LYS 85 -2.208 -7.947 -7.160 648 1HB LYS 85 HB2 LYS 85 0.180 -8.510 -7.582 649 2HB LYS 85 HB1 LYS 85 -0.210 -8.758 -9.284 650 1HG LYS 85 HG2 LYS 85 -1.015 -6.415 -9.429 651 2HG LYS 85 HG1 LYS 85 -0.603 -6.178 -7.735 652 1HD LYS 85 HD2 LYS 85 1.292 -5.317 -8.803 653 2HD LYS 85 HD1 LYS 85 1.792 -6.972 -8.470 654 1HE LYS 85 HE2 LYS 85 0.522 -6.167 -11.104 655 2HE LYS 85 HE1 LYS 85 2.258 -6.099 -10.832 656 1HZ LYS 85 HZ2 LYS 85 1.878 -8.523 -10.006 657 2HZ LYS 85 HZ1 LYS 85 0.492 -8.432 -10.987 658 3HZ LYS 85 HZ3 LYS 85 2.028 -8.191 -11.667 659 H VAL 86 HN VAL 86 -3.678 -6.710 -8.193 660 HA VAL 86 HA VAL 86 -4.433 -7.422 -11.007 661 HB VAL 86 HB VAL 86 -6.733 -6.641 -10.408 662 1HG1 VAL 86 HG12 VAL 86 -5.965 -9.070 -10.315 663 2HG1 VAL 86 HG11 VAL 86 -5.800 -8.856 -8.570 664 3HG1 VAL 86 HG13 VAL 86 -7.379 -8.678 -9.338 665 1HG2 VAL 86 HG22 VAL 86 -6.023 -5.248 -8.458 666 2HG2 VAL 86 HG21 VAL 86 -7.305 -6.385 -8.046 667 3HG2 VAL 86 HG23 VAL 86 -5.642 -6.729 -7.577 668 H GLY 87 HN GLY 87 -2.874 -5.086 -9.255 669 1HA GLY 87 HA2 GLY 87 -3.084 -3.147 -11.351 670 2HA GLY 87 HA1 GLY 87 -4.173 -2.677 -10.052 671 H GLU 88 HN GLU 88 -1.872 -1.216 -10.939 672 HA GLU 88 HA GLU 88 -0.610 -0.725 -8.376 673 1HB GLU 88 HB2 GLU 88 0.804 -2.580 -8.962 674 2HB GLU 88 HB1 GLU 88 0.997 -1.988 -10.607 675 1HG GLU 88 HG2 GLU 88 1.896 -0.339 -8.242 676 2HG GLU 88 HG1 GLU 88 2.936 -1.585 -8.925 677 H PHE 89 HN PHE 89 0.457 1.277 -8.344 678 HA PHE 89 HA PHE 89 1.038 2.702 -10.792 679 1HB PHE 89 HB2 PHE 89 -0.665 4.326 -10.833 680 2HB PHE 89 HB1 PHE 89 -1.514 2.809 -10.580 681 HD1 PHE 89 HD1 PHE 89 -0.122 5.773 -8.772 682 HD2 PHE 89 HD2 PHE 89 -2.896 2.502 -8.689 683 HE1 PHE 89 HE1 PHE 89 -1.167 6.709 -6.724 684 HE2 PHE 89 HE2 PHE 89 -3.933 3.433 -6.645 685 HZ PHE 89 HZ PHE 89 -3.080 5.538 -5.659 686 H SER 90 HN SER 90 1.977 4.802 -10.387 687 HA SER 90 HA SER 90 2.866 5.208 -7.556 688 1HB SER 90 HB2 SER 90 5.041 5.932 -8.427 689 2HB SER 90 HB1 SER 90 4.708 4.262 -8.890 690 HG SER 90 HG SER 90 5.388 6.111 -10.502 691 H GLY 91 HN GLY 91 3.515 7.400 -7.075 692 1HA GLY 91 HA2 GLY 91 3.588 9.755 -7.997 693 2HA GLY 91 HA1 GLY 91 2.035 9.410 -8.745 694 H ALA 92 HN ALA 92 2.916 11.348 -6.562 695 HA ALA 92 HA ALA 92 1.568 10.440 -4.153 696 1HB ALA 92 HB3 ALA 92 2.551 13.122 -5.135 697 2HB ALA 92 HB2 ALA 92 1.755 12.929 -3.579 698 3HB ALA 92 HB1 ALA 92 3.278 12.098 -3.902 699 H ASN 93 HN ASN 93 -0.413 9.825 -5.703 700 HA ASN 93 HA ASN 93 -2.287 12.181 -5.750 701 1HB ASN 93 HB2 ASN 93 -1.656 11.179 -8.010 702 2HB ASN 93 HB1 ASN 93 -2.513 9.729 -7.496 703 1HD2 ASN 93 HD22 ASN 93 -5.239 12.650 -7.169 704 2HD2 ASN 93 HD21 ASN 93 -3.997 12.405 -6.041 705 H LYS 94 HN LYS 94 -3.204 11.816 -3.719 706 HA LYS 94 HA LYS 94 -3.915 9.202 -2.727 707 1HB LYS 94 HB2 LYS 94 -5.271 10.548 -1.096 708 2HB LYS 94 HB1 LYS 94 -3.562 10.961 -1.165 709 1HG LYS 94 HG2 LYS 94 -5.194 12.527 -3.072 710 2HG LYS 94 HG1 LYS 94 -5.701 12.765 -1.403 711 1HD LYS 94 HD2 LYS 94 -3.298 13.238 -0.817 712 2HD LYS 94 HD1 LYS 94 -2.926 13.190 -2.543 713 1HE LYS 94 HE2 LYS 94 -4.684 14.953 -2.892 714 2HE LYS 94 HE1 LYS 94 -4.841 15.065 -1.138 715 1HZ LYS 94 HZ2 LYS 94 -2.418 15.537 -1.065 716 2HZ LYS 94 HZ1 LYS 94 -2.422 15.625 -2.763 717 3HZ LYS 94 HZ3 LYS 94 -3.327 16.736 -1.855 718 H GLU 95 HN GLU 95 -5.713 11.618 -4.619 719 HA GLU 95 HA GLU 95 -8.319 10.516 -4.197 720 1HB GLU 95 HB2 GLU 95 -7.222 11.988 -6.617 721 2HB GLU 95 HB1 GLU 95 -8.928 11.742 -6.252 722 1HG GLU 95 HG2 GLU 95 -7.002 13.181 -4.409 723 2HG GLU 95 HG1 GLU 95 -8.063 14.001 -5.553 724 H LYS 96 HN LYS 96 -5.668 9.676 -6.289 725 HA LYS 96 HA LYS 96 -7.013 8.029 -8.171 726 1HB LYS 96 HB2 LYS 96 -4.618 8.857 -8.195 727 2HB LYS 96 HB1 LYS 96 -4.240 7.576 -7.056 728 1HG LYS 96 HG2 LYS 96 -4.702 5.869 -8.606 729 2HG LYS 96 HG1 LYS 96 -5.626 6.944 -9.659 730 1HD LYS 96 HD2 LYS 96 -3.562 8.191 -10.196 731 2HD LYS 96 HD1 LYS 96 -2.636 7.093 -9.170 732 1HE LYS 96 HE2 LYS 96 -3.288 5.190 -10.587 733 2HE LYS 96 HE1 LYS 96 -4.265 6.260 -11.593 734 1HZ LYS 96 HZ2 LYS 96 -1.351 6.608 -11.163 735 2HZ LYS 96 HZ1 LYS 96 -2.016 5.778 -12.488 736 3HZ LYS 96 HZ3 LYS 96 -2.332 7.430 -12.277 737 H LEU 97 HN LEU 97 -5.807 7.381 -4.919 738 HA LEU 97 HA LEU 97 -6.091 4.547 -4.899 739 1HB LEU 97 HB2 LEU 97 -6.413 6.661 -2.758 740 2HB LEU 97 HB1 LEU 97 -6.563 4.950 -2.395 741 HG LEU 97 HG LEU 97 -4.133 6.194 -3.696 742 1HD1 LEU 97 HD11 LEU 97 -4.680 5.483 -0.802 743 2HD1 LEU 97 HD13 LEU 97 -3.103 5.951 -1.436 744 3HD1 LEU 97 HD12 LEU 97 -4.440 7.102 -1.448 745 1HD2 LEU 97 HD23 LEU 97 -4.879 3.426 -2.749 746 2HD2 LEU 97 HD22 LEU 97 -3.994 3.910 -4.195 747 3HD2 LEU 97 HD21 LEU 97 -3.204 3.941 -2.630 748 H GLU 98 HN GLU 98 -8.321 7.178 -4.296 749 HA GLU 98 HA GLU 98 -10.523 5.630 -3.371 750 1HB GLU 98 HB2 GLU 98 -10.300 8.127 -3.237 751 2HB GLU 98 HB1 GLU 98 -10.658 8.205 -4.961 752 1HG GLU 98 HG2 GLU 98 -12.509 6.796 -3.033 753 2HG GLU 98 HG1 GLU 98 -12.630 8.529 -3.326 754 H ALA 99 HN ALA 99 -9.701 6.662 -6.683 755 HA ALA 99 HA ALA 99 -12.077 5.521 -7.829 756 1HB ALA 99 HB1 ALA 99 -10.758 7.252 -8.981 757 2HB ALA 99 HB3 ALA 99 -9.413 6.123 -9.140 758 3HB ALA 99 HB2 ALA 99 -10.925 5.815 -9.990 759 H THR 100 HN THR 100 -8.761 4.218 -7.547 760 HA THR 100 HA THR 100 -9.350 1.827 -9.013 761 HB THR 100 HB THR 100 -7.266 2.111 -6.837 762 HG1 THR 100 HG1 THR 100 -6.645 3.667 -8.141 763 1HG2 THR 100 HG22 THR 100 -7.512 0.387 -9.319 764 2HG2 THR 100 HG21 THR 100 -6.085 0.456 -8.286 765 3HG2 THR 100 HG23 THR 100 -7.606 -0.166 -7.647 766 H ILE 101 HN ILE 101 -9.535 2.574 -5.543 767 HA ILE 101 HA ILE 101 -10.128 -0.075 -4.615 768 HB ILE 101 HB ILE 101 -10.917 2.675 -3.593 769 1HG1 ILE 101 HG12 ILE 101 -9.018 0.667 -2.357 770 2HG1 ILE 101 HG11 ILE 101 -8.475 1.813 -3.581 771 1HG2 ILE 101 HG23 ILE 101 -11.549 -0.068 -2.512 772 2HG2 ILE 101 HG22 ILE 101 -11.367 1.305 -1.419 773 3HG2 ILE 101 HG21 ILE 101 -12.610 1.330 -2.667 774 1HD1 ILE 101 HD13 ILE 101 -9.311 3.680 -2.174 775 2HD1 ILE 101 HD12 ILE 101 -9.793 2.516 -0.941 776 3HD1 ILE 101 HD11 ILE 101 -8.086 2.725 -1.337 777 H ASN 102 HN ASN 102 -12.268 2.612 -5.548 778 HA ASN 102 HA ASN 102 -14.730 1.214 -5.279 779 1HB ASN 102 HB2 ASN 102 -14.510 3.692 -5.597 780 2HB ASN 102 HB1 ASN 102 -14.048 3.397 -7.278 781 1HD2 ASN 102 HD22 ASN 102 -17.924 3.558 -6.395 782 2HD2 ASN 102 HD21 ASN 102 -16.687 4.168 -5.404 783 H GLU 103 HN GLU 103 -12.402 1.439 -7.884 784 HA GLU 103 HA GLU 103 -13.974 0.152 -9.902 785 1HB GLU 103 HB2 GLU 103 -11.856 1.552 -10.174 786 2HB GLU 103 HB1 GLU 103 -10.961 0.135 -9.643 787 1HG GLU 103 HG2 GLU 103 -12.898 0.038 -11.967 788 2HG GLU 103 HG1 GLU 103 -11.182 0.399 -12.169 789 H LEU 104 HN LEU 104 -11.656 -1.077 -7.492 790 HA LEU 104 HA LEU 104 -12.147 -3.859 -8.419 791 1HB LEU 104 HB2 LEU 104 -10.187 -2.683 -6.446 792 2HB LEU 104 HB1 LEU 104 -10.329 -4.410 -6.758 793 HG LEU 104 HG LEU 104 -9.710 -2.314 -8.857 794 1HD1 LEU 104 HD13 LEU 104 -7.895 -4.237 -7.392 795 2HD1 LEU 104 HD12 LEU 104 -7.411 -3.246 -8.768 796 3HD1 LEU 104 HD11 LEU 104 -7.886 -2.482 -7.252 797 1HD2 LEU 104 HD21 LEU 104 -10.050 -5.309 -8.892 798 2HD2 LEU 104 HD23 LEU 104 -10.576 -4.115 -10.079 799 3HD2 LEU 104 HD22 LEU 104 -8.881 -4.577 -9.993 800 H VAL 105 HN VAL 105 -13.532 -1.766 -6.145 801 HA VAL 105 HA VAL 105 -13.795 -3.585 -3.934 802 HB VAL 105 HB VAL 105 -14.309 -1.060 -3.922 803 1HG1 VAL 105 HG12 VAL 105 -15.960 -1.399 -5.913 804 2HG1 VAL 105 HG11 VAL 105 -17.102 -1.907 -4.675 805 3HG1 VAL 105 HG13 VAL 105 -16.414 -0.285 -4.625 806 1HG2 VAL 105 HG21 VAL 105 -14.749 -2.587 -2.021 807 2HG2 VAL 105 HG23 VAL 105 -15.988 -1.339 -2.144 808 3HG2 VAL 105 HG22 VAL 105 -16.326 -2.975 -2.708 809 HA PRO 59 HA PRO 106 12.828 15.946 -15.050 810 1HB PRO 59 HB2 PRO 106 15.431 14.739 -14.178 811 2HB PRO 59 HB1 PRO 106 14.526 14.499 -15.688 812 1HG PRO 59 HG2 PRO 106 16.705 16.035 -15.618 813 2HG PRO 59 HG1 PRO 106 15.308 16.463 -16.625 814 1HD PRO 59 HD2 PRO 106 16.212 17.687 -14.044 815 2HD PRO 59 HD1 PRO 106 15.383 18.446 -15.424 816 H ALA 60 HN ALA 107 14.487 16.335 -11.946 817 HA ALA 60 HA ALA 107 13.289 13.962 -10.756 818 1HB ALA 60 HB2 ALA 107 14.570 16.393 -9.472 819 2HB ALA 60 HB1 ALA 107 14.146 14.902 -8.628 820 3HB ALA 60 HB3 ALA 107 15.387 14.885 -9.879 821 H THR 61 HN THR 108 11.292 13.796 -9.855 822 HA THR 61 HA THR 108 9.637 16.284 -9.607 823 HB THR 61 HB THR 108 8.686 13.407 -9.624 824 HG1 THR 61 HG1 THR 108 8.583 13.530 -11.754 825 1HG2 THR 61 HG21 THR 108 7.216 15.255 -8.709 826 2HG2 THR 61 HG23 THR 108 7.244 15.974 -10.314 827 3HG2 THR 61 HG22 THR 108 6.533 14.376 -10.072 828 H LEU 62 HN LEU 109 8.989 16.931 -7.589 829 HA LEU 62 HA LEU 109 10.001 15.635 -5.222 830 1HB LEU 62 HB2 LEU 109 7.908 17.785 -5.617 831 2HB LEU 62 HB1 LEU 109 8.445 17.249 -4.027 832 HG LEU 62 HG LEU 109 10.429 18.175 -6.113 833 1HD1 LEU 62 HD11 LEU 109 8.912 19.876 -4.113 834 2HD1 LEU 62 HD13 LEU 109 10.336 20.415 -5.004 835 3HD1 LEU 62 HD12 LEU 109 8.855 20.012 -5.872 836 1HD2 LEU 62 HD23 LEU 109 10.426 17.911 -3.089 837 2HD2 LEU 62 HD22 LEU 109 11.475 17.090 -4.243 838 3HD2 LEU 62 HD21 LEU 109 11.662 18.815 -3.959 839 H LYS 63 HN LYS 110 7.000 15.469 -6.982 840 HA LYS 63 HA LYS 110 5.361 14.255 -5.000 841 1HB LYS 63 HB2 LYS 110 5.350 13.820 -8.007 842 2HB LYS 63 HB1 LYS 110 4.017 13.463 -6.914 843 1HG LYS 63 HG2 LYS 110 5.188 16.240 -7.077 844 2HG LYS 63 HG1 LYS 110 3.954 15.709 -8.211 845 1HD LYS 63 HD2 LYS 110 2.472 15.149 -6.284 846 2HD LYS 63 HD1 LYS 110 3.695 15.799 -5.192 847 1HE LYS 63 HE2 LYS 110 2.312 17.335 -7.404 848 2HE LYS 63 HE1 LYS 110 1.993 17.503 -5.677 849 1HZ LYS 63 HZ1 LYS 110 4.632 17.966 -6.957 850 2HZ LYS 63 HZ3 LYS 110 3.537 19.194 -6.547 851 3HZ LYS 63 HZ2 LYS 110 4.236 18.236 -5.329 852 H ILE 64 HN ILE 111 8.151 13.112 -6.537 853 HA ILE 64 HA ILE 111 7.579 10.279 -5.697 854 HB ILE 64 HB ILE 111 9.049 11.275 -8.164 855 1HG1 ILE 64 HG12 ILE 111 6.626 11.247 -8.444 856 2HG1 ILE 64 HG11 ILE 111 7.344 9.939 -9.378 857 1HG2 ILE 64 HG21 ILE 111 8.893 8.529 -6.924 858 2HG2 ILE 64 HG23 ILE 111 9.217 8.762 -8.644 859 3HG2 ILE 64 HG22 ILE 111 10.322 9.426 -7.439 860 1HD1 ILE 64 HD11 ILE 111 6.877 8.572 -7.112 861 2HD1 ILE 64 HD13 ILE 111 5.640 9.811 -6.930 862 3HD1 ILE 64 HD12 ILE 111 5.643 8.767 -8.349 863 H CYS 65 HN CYS 112 9.286 9.273 -4.562 864 HA CYS 65 HA CYS 112 11.672 10.975 -3.979 865 1HB CYS 65 HB2 CYS 112 10.931 8.379 -2.595 866 2HB CYS 65 HB1 CYS 112 12.071 9.598 -2.045 867 H SER 66 HN SER 113 13.639 10.375 -4.872 868 HA SER 66 HA SER 113 13.652 8.119 -6.739 869 1HB SER 66 HB2 SER 113 15.874 10.012 -5.903 870 2HB SER 66 HB1 SER 113 15.948 8.880 -7.251 871 HG SER 66 HG SER 113 15.266 11.162 -7.663 872 H TRP 67 HN TRP 114 14.881 6.199 -6.555 873 HA TRP 67 HA TRP 114 15.546 5.357 -3.824 874 1HB TRP 67 HB2 TRP 114 15.755 3.950 -6.504 875 2HB TRP 67 HB1 TRP 114 16.233 3.208 -4.973 876 HD1 TRP 67 HD1 TRP 114 13.157 5.199 -6.196 877 HE1 TRP 67 HE1 TRP 114 11.049 4.032 -5.288 878 HE3 TRP 67 HE3 TRP 114 15.294 1.324 -3.678 879 HZ2 TRP 67 HZ2 TRP 114 10.382 1.776 -3.672 880 HZ3 TRP 67 HZ3 TRP 114 13.911 -0.314 -2.462 881 HH2 TRP 67 HH2 TRP 114 11.446 -0.100 -2.466 882 H ASN 68 HN ASN 115 17.184 6.843 -6.418 883 HA ASN 68 HA ASN 115 19.823 5.817 -6.104 884 1HB ASN 68 HB2 ASN 115 18.836 8.594 -6.851 885 2HB ASN 68 HB1 ASN 115 20.521 8.084 -6.973 886 1HD2 ASN 68 HD22 ASN 115 18.544 5.481 -9.288 887 2HD2 ASN 68 HD21 ASN 115 18.559 5.398 -7.590 888 H VAL 69 HN VAL 116 17.792 7.466 -4.013 889 HA VAL 69 HA VAL 116 19.617 9.079 -2.513 890 HB VAL 69 HB VAL 116 17.170 9.286 -2.344 891 1HG1 VAL 69 HG12 VAL 116 16.847 6.742 -2.529 892 2HG1 VAL 69 HG11 VAL 116 17.187 6.683 -0.801 893 3HG1 VAL 69 HG13 VAL 116 15.795 7.583 -1.396 894 1HG2 VAL 69 HG22 VAL 116 18.794 9.823 -0.398 895 2HG2 VAL 69 HG21 VAL 116 17.080 9.688 -0.015 896 3HG2 VAL 69 HG23 VAL 116 18.173 8.352 0.347 897 H ASP 70 HN ASP 117 20.927 8.537 -0.755 898 HA ASP 70 HA ASP 117 21.972 5.901 -0.597 899 1HB ASP 70 HB2 ASP 117 22.034 8.191 1.392 900 2HB ASP 70 HB1 ASP 117 22.967 6.705 1.583 901 H GLY 71 HN GLY 118 19.448 7.536 1.273 902 1HA GLY 71 HA2 GLY 118 17.763 6.626 2.643 903 2HA GLY 71 HA1 GLY 118 18.180 5.046 1.977 No H/Q in entry = 903 Start of MODEL 27 1 1H MET 1 HT3 MET 1 -8.564 -2.557 8.964 2 2H MET 1 HT2 MET 1 -9.094 -3.210 10.440 3 3H MET 1 HT1 MET 1 -9.709 -1.722 9.894 4 HA MET 1 HA MET 1 -8.090 -0.620 10.897 5 1HB MET 1 HB2 MET 1 -7.134 -3.396 11.660 6 2HB MET 1 HB1 MET 1 -6.551 -1.899 12.390 7 1HG MET 1 HG2 MET 1 -9.441 -2.828 12.405 8 2HG MET 1 HG1 MET 1 -8.319 -2.979 13.760 9 1HE MET 1 HE3 MET 1 -10.830 -1.857 14.324 10 2HE MET 1 HE2 MET 1 -9.645 -1.445 15.561 11 3HE MET 1 HE1 MET 1 -10.720 -0.198 14.932 12 H VAL 2 HN VAL 2 -5.519 -0.522 11.109 13 HA VAL 2 HA VAL 2 -4.475 -0.932 8.339 14 HB VAL 2 HB VAL 2 -3.477 0.777 10.639 15 1HG1 VAL 2 HG13 VAL 2 -2.426 0.277 7.842 16 2HG1 VAL 2 HG12 VAL 2 -2.013 1.728 8.758 17 3HG1 VAL 2 HG11 VAL 2 -1.553 0.138 9.368 18 1HG2 VAL 2 HG21 VAL 2 -4.795 1.427 7.986 19 2HG2 VAL 2 HG23 VAL 2 -5.553 1.562 9.570 20 3HG2 VAL 2 HG22 VAL 2 -4.206 2.616 9.144 21 H LYS 3 HN LYS 3 -2.533 -2.101 7.987 22 HA LYS 3 HA LYS 3 -1.369 -3.522 10.363 23 1HB LYS 3 HB2 LYS 3 -2.873 -5.047 9.110 24 2HB LYS 3 HB1 LYS 3 -1.959 -4.712 7.637 25 1HG LYS 3 HG2 LYS 3 -0.037 -5.798 8.427 26 2HG LYS 3 HG1 LYS 3 -0.554 -5.741 10.104 27 1HD LYS 3 HD2 LYS 3 -2.424 -7.309 9.515 28 2HD LYS 3 HD1 LYS 3 -1.749 -7.430 7.889 29 1HE LYS 3 HE2 LYS 3 -0.934 -9.304 9.214 30 2HE LYS 3 HE1 LYS 3 0.409 -8.205 8.892 31 1HZ LYS 3 HZ2 LYS 3 -0.833 -7.331 11.221 32 2HZ LYS 3 HZ1 LYS 3 -0.644 -9.011 11.376 33 3HZ LYS 3 HZ3 LYS 3 0.707 -8.034 11.064 34 H GLN 4 HN GLN 4 0.791 -3.277 10.463 35 HA GLN 4 HA GLN 4 2.194 -2.086 8.125 36 1HB GLN 4 HB2 GLN 4 2.459 -0.991 10.341 37 2HB GLN 4 HB1 GLN 4 3.138 -2.486 10.987 38 1HG GLN 4 HG2 GLN 4 4.970 -2.364 9.312 39 2HG GLN 4 HG1 GLN 4 4.297 -0.853 8.704 40 1HE2 GLN 4 HE22 GLN 4 6.562 0.677 10.981 41 2HE2 GLN 4 HE21 GLN 4 6.251 0.329 9.349 42 H ILE 5 HN ILE 5 3.414 -3.350 6.864 43 HA ILE 5 HA ILE 5 4.104 -6.117 7.758 44 HB ILE 5 HB ILE 5 4.324 -4.823 5.029 45 1HG1 ILE 5 HG12 ILE 5 1.988 -4.816 5.716 46 2HG1 ILE 5 HG11 ILE 5 2.228 -6.042 4.477 47 1HG2 ILE 5 HG21 ILE 5 5.654 -6.988 5.656 48 2HG2 ILE 5 HG23 ILE 5 4.091 -7.781 5.510 49 3HG2 ILE 5 HG22 ILE 5 4.776 -6.920 4.137 50 1HD1 ILE 5 HD12 ILE 5 2.510 -7.719 6.391 51 2HD1 ILE 5 HD11 ILE 5 1.899 -6.458 7.452 52 3HD1 ILE 5 HD13 ILE 5 0.887 -7.078 6.154 53 H GLU 6 HN GLU 6 6.111 -6.140 8.739 54 HA GLU 6 HA GLU 6 8.232 -4.295 7.760 55 1HB GLU 6 HB2 GLU 6 8.170 -6.135 10.182 56 2HB GLU 6 HB1 GLU 6 9.424 -4.956 9.808 57 1HG GLU 6 HG2 GLU 6 8.089 -3.753 11.305 58 2HG GLU 6 HG1 GLU 6 7.437 -3.241 9.753 59 H SER 7 HN SER 7 7.090 -7.341 7.092 60 HA SER 7 HA SER 7 9.654 -8.120 5.863 61 1HB SER 7 HB2 SER 7 9.670 -10.360 6.903 62 2HB SER 7 HB1 SER 7 9.850 -9.092 8.118 63 HG SER 7 HG SER 7 7.707 -10.800 7.572 64 H LYS 8 HN LYS 8 9.395 -9.865 4.326 65 HA LYS 8 HA LYS 8 6.916 -9.822 2.891 66 1HB LYS 8 HB2 LYS 8 9.218 -10.471 1.980 67 2HB LYS 8 HB1 LYS 8 8.973 -12.034 2.760 68 1HG LYS 8 HG2 LYS 8 6.672 -12.027 1.502 69 2HG LYS 8 HG1 LYS 8 7.428 -10.795 0.492 70 1HD LYS 8 HD2 LYS 8 8.676 -13.511 1.006 71 2HD LYS 8 HD1 LYS 8 7.646 -13.158 -0.380 72 1HE LYS 8 HE2 LYS 8 10.229 -11.733 0.310 73 2HE LYS 8 HE1 LYS 8 10.006 -12.903 -0.990 74 1HZ LYS 8 HZ3 LYS 8 8.012 -10.996 -1.270 75 2HZ LYS 8 HZ2 LYS 8 9.452 -10.139 -0.992 76 3HZ LYS 8 HZ1 LYS 8 9.353 -11.247 -2.276 77 H THR 9 HN THR 9 8.263 -11.902 5.373 78 HA THR 9 HA THR 9 6.543 -14.103 5.175 79 HB THR 9 HB THR 9 7.483 -12.825 7.751 80 HG1 THR 9 HG1 THR 9 9.230 -14.334 7.450 81 1HG2 THR 9 HG23 THR 9 6.490 -15.577 6.995 82 2HG2 THR 9 HG22 THR 9 7.450 -15.293 8.447 83 3HG2 THR 9 HG21 THR 9 5.883 -14.505 8.259 84 H ALA 10 HN ALA 10 6.025 -11.103 7.021 85 HA ALA 10 HA ALA 10 3.346 -11.822 7.804 86 1HB ALA 10 HB1 ALA 10 4.758 -10.101 8.971 87 2HB ALA 10 HB3 ALA 10 4.540 -9.040 7.580 88 3HB ALA 10 HB2 ALA 10 3.148 -9.514 8.554 89 H PHE 11 HN PHE 11 4.742 -10.250 4.979 90 HA PHE 11 HA PHE 11 2.410 -9.028 3.902 91 1HB PHE 11 HB2 PHE 11 4.796 -8.893 3.009 92 2HB PHE 11 HB1 PHE 11 4.548 -10.475 2.300 93 HD1 PHE 11 HD1 PHE 11 2.831 -7.153 2.501 94 HD2 PHE 11 HD2 PHE 11 3.793 -10.569 0.082 95 HE1 PHE 11 HE1 PHE 11 1.743 -6.078 0.551 96 HE2 PHE 11 HE2 PHE 11 2.699 -9.495 -1.870 97 HZ PHE 11 HZ PHE 11 1.675 -7.249 -1.631 98 H GLN 12 HN GLN 12 3.683 -12.324 3.520 99 HA GLN 12 HA GLN 12 1.599 -13.296 1.799 100 1HB GLN 12 HB2 GLN 12 3.328 -14.742 3.841 101 2HB GLN 12 HB1 GLN 12 2.389 -15.529 2.575 102 1HG GLN 12 HG2 GLN 12 4.589 -13.498 2.089 103 2HG GLN 12 HG1 GLN 12 4.782 -15.245 1.946 104 1HE2 GLN 12 HE22 GLN 12 2.910 -15.469 -1.105 105 2HE2 GLN 12 HE21 GLN 12 3.370 -16.348 0.272 106 H GLU 13 HN GLU 13 2.013 -13.282 5.332 107 HA GLU 13 HA GLU 13 -0.355 -14.758 5.983 108 1HB GLU 13 HB2 GLU 13 1.262 -12.732 7.548 109 2HB GLU 13 HB1 GLU 13 -0.063 -13.639 8.248 110 1HG GLU 13 HG2 GLU 13 2.376 -14.899 6.957 111 2HG GLU 13 HG1 GLU 13 2.166 -14.680 8.694 112 H ALA 14 HN ALA 14 0.201 -11.264 5.572 113 HA ALA 14 HA ALA 14 -2.427 -10.485 6.456 114 1HB ALA 14 HB1 ALA 14 -0.418 -9.105 4.654 115 2HB ALA 14 HB3 ALA 14 -1.898 -8.344 5.236 116 3HB ALA 14 HB2 ALA 14 -0.652 -8.837 6.381 117 H LEU 15 HN LEU 15 -1.050 -11.228 3.267 118 HA LEU 15 HA LEU 15 -3.353 -10.587 1.724 119 1HB LEU 15 HB2 LEU 15 -1.172 -12.656 1.345 120 2HB LEU 15 HB1 LEU 15 -2.385 -12.303 0.117 121 HG LEU 15 HG LEU 15 -0.598 -10.174 1.323 122 1HD1 LEU 15 HD13 LEU 15 -0.124 -12.061 -0.980 123 2HD1 LEU 15 HD12 LEU 15 0.561 -10.435 -1.023 124 3HD1 LEU 15 HD11 LEU 15 0.993 -11.538 0.281 125 1HD2 LEU 15 HD22 LEU 15 -2.477 -10.313 -1.044 126 2HD2 LEU 15 HD21 LEU 15 -2.435 -9.124 0.254 127 3HD2 LEU 15 HD23 LEU 15 -1.184 -9.116 -0.981 128 H ASP 16 HN ASP 16 -2.340 -13.536 3.408 129 HA ASP 16 HA ASP 16 -4.612 -15.094 2.577 130 1HB ASP 16 HB2 ASP 16 -2.402 -15.982 3.518 131 2HB ASP 16 HB1 ASP 16 -3.023 -15.541 5.114 132 H ALA 17 HN ALA 17 -3.982 -13.027 5.399 133 HA ALA 17 HA ALA 17 -6.343 -13.780 6.860 134 1HB ALA 17 HB3 ALA 17 -4.736 -11.216 6.945 135 2HB ALA 17 HB2 ALA 17 -5.947 -11.693 8.136 136 3HB ALA 17 HB1 ALA 17 -4.468 -12.640 7.952 137 H ALA 18 HN ALA 18 -5.700 -11.199 4.504 138 HA ALA 18 HA ALA 18 -8.204 -9.850 4.795 139 1HB ALA 18 HB2 ALA 18 -6.271 -8.914 3.526 140 2HB ALA 18 HB1 ALA 18 -6.532 -10.132 2.277 141 3HB ALA 18 HB3 ALA 18 -7.761 -8.906 2.582 142 H GLY 19 HN GLY 19 -7.268 -12.775 3.141 143 1HA GLY 19 HA2 GLY 19 -8.578 -14.426 2.120 144 2HA GLY 19 HA1 GLY 19 -9.985 -13.656 2.858 145 H ASP 20 HN ASP 20 -11.432 -13.148 1.282 146 HA ASP 20 HA ASP 20 -10.483 -12.509 -1.441 147 1HB ASP 20 HB2 ASP 20 -13.297 -12.775 -0.340 148 2HB ASP 20 HB1 ASP 20 -12.867 -12.596 -2.041 149 H LYS 21 HN LYS 21 -10.771 -10.704 1.276 150 HA LYS 21 HA LYS 21 -12.310 -8.450 0.257 151 1HB LYS 21 HB2 LYS 21 -10.321 -8.629 2.549 152 2HB LYS 21 HB1 LYS 21 -11.363 -7.243 2.223 153 1HG LYS 21 HG2 LYS 21 -13.359 -8.593 2.540 154 2HG LYS 21 HG1 LYS 21 -12.390 -10.056 2.695 155 1HD LYS 21 HD2 LYS 21 -12.823 -9.531 4.935 156 2HD LYS 21 HD1 LYS 21 -11.250 -8.776 4.691 157 1HE LYS 21 HE2 LYS 21 -12.738 -7.212 5.833 158 2HE LYS 21 HE1 LYS 21 -12.399 -6.614 4.211 159 1HZ LYS 21 HZ3 LYS 21 -14.612 -8.282 4.022 160 2HZ LYS 21 HZ2 LYS 21 -14.884 -7.277 5.364 161 3HZ LYS 21 HZ1 LYS 21 -14.568 -6.597 3.840 162 H LEU 22 HN LEU 22 -11.429 -6.426 -0.514 163 HA LEU 22 HA LEU 22 -9.230 -6.664 -2.286 164 1HB LEU 22 HB2 LEU 22 -11.209 -4.789 -1.816 165 2HB LEU 22 HB1 LEU 22 -9.795 -3.942 -1.215 166 HG LEU 22 HG LEU 22 -10.210 -5.046 -4.002 167 1HD1 LEU 22 HD11 LEU 22 -10.499 -2.381 -2.736 168 2HD1 LEU 22 HD13 LEU 22 -9.496 -2.356 -4.184 169 3HD1 LEU 22 HD12 LEU 22 -11.139 -2.980 -4.260 170 1HD2 LEU 22 HD23 LEU 22 -7.744 -3.961 -2.641 171 2HD2 LEU 22 HD22 LEU 22 -7.895 -5.414 -3.635 172 3HD2 LEU 22 HD21 LEU 22 -7.943 -3.823 -4.383 173 H VAL 23 HN VAL 23 -7.077 -5.546 -2.045 174 HA VAL 23 HA VAL 23 -6.243 -4.946 0.729 175 HB VAL 23 HB VAL 23 -4.855 -7.021 -1.005 176 1HG1 VAL 23 HG13 VAL 23 -4.245 -5.780 1.683 177 2HG1 VAL 23 HG12 VAL 23 -3.596 -7.353 1.224 178 3HG1 VAL 23 HG11 VAL 23 -3.190 -5.924 0.277 179 1HG2 VAL 23 HG21 VAL 23 -6.530 -7.263 1.503 180 2HG2 VAL 23 HG23 VAL 23 -6.885 -7.956 -0.076 181 3HG2 VAL 23 HG22 VAL 23 -5.526 -8.564 0.865 182 H VAL 24 HN VAL 24 -5.262 -3.005 0.493 183 HA VAL 24 HA VAL 24 -3.832 -2.427 -2.070 184 HB VAL 24 HB VAL 24 -4.732 -0.514 0.113 185 1HG1 VAL 24 HG13 VAL 24 -2.809 0.244 -1.285 186 2HG1 VAL 24 HG12 VAL 24 -3.787 -0.013 -2.728 187 3HG1 VAL 24 HG11 VAL 24 -4.257 1.215 -1.552 188 1HG2 VAL 24 HG23 VAL 24 -6.017 -1.425 -2.469 189 2HG2 VAL 24 HG22 VAL 24 -6.725 -1.367 -0.855 190 3HG2 VAL 24 HG21 VAL 24 -6.415 0.129 -1.735 191 H VAL 25 HN VAL 25 -1.620 -1.815 -1.982 192 HA VAL 25 HA VAL 25 -0.302 -2.029 0.711 193 HB VAL 25 HB VAL 25 0.805 -3.007 -1.937 194 1HG1 VAL 25 HG13 VAL 25 1.780 -3.221 0.911 195 2HG1 VAL 25 HG12 VAL 25 2.508 -4.066 -0.453 196 3HG1 VAL 25 HG11 VAL 25 2.542 -2.302 -0.386 197 1HG2 VAL 25 HG22 VAL 25 -1.146 -4.337 -1.002 198 2HG2 VAL 25 HG21 VAL 25 0.357 -5.245 -1.157 199 3HG2 VAL 25 HG23 VAL 25 -0.155 -4.649 0.420 200 H ASP 26 HN ASP 26 0.775 -0.211 1.248 201 HA ASP 26 HA ASP 26 1.477 1.745 -0.910 202 1HB ASP 26 HB2 ASP 26 0.088 2.478 1.080 203 2HB ASP 26 HB1 ASP 26 1.497 2.180 2.100 204 H PHE 27 HN PHE 27 3.585 1.751 -1.567 205 HA PHE 27 HA PHE 27 5.691 0.570 0.180 206 1HB PHE 27 HB2 PHE 27 5.594 1.307 -2.755 207 2HB PHE 27 HB1 PHE 27 7.115 0.922 -1.942 208 HD1 PHE 27 HD1 PHE 27 7.484 -1.291 -0.944 209 HD2 PHE 27 HD2 PHE 27 3.981 -0.413 -3.264 210 HE1 PHE 27 HE1 PHE 27 7.063 -3.711 -1.218 211 HE2 PHE 27 HE2 PHE 27 3.559 -2.836 -3.523 212 HZ PHE 27 HZ PHE 27 5.095 -4.491 -2.510 213 H SER 28 HN SER 28 4.438 3.357 0.477 214 HA SER 28 HA SER 28 6.300 5.310 -0.347 215 1HB SER 28 HB2 SER 28 4.630 5.306 2.178 216 2HB SER 28 HB1 SER 28 5.405 6.710 1.459 217 HG SER 28 HG SER 28 4.063 5.530 -0.461 218 H ALA 29 HN ALA 29 8.059 6.296 0.668 219 HA ALA 29 HA ALA 29 9.597 4.498 2.424 220 1HB ALA 29 HB3 ALA 29 10.183 6.935 0.781 221 2HB ALA 29 HB2 ALA 29 11.221 6.645 2.179 222 3HB ALA 29 HB1 ALA 29 11.089 5.429 0.905 223 H THR 30 HN THR 30 9.523 4.701 4.609 224 HA THR 30 HA THR 30 7.932 6.740 5.841 225 HB THR 30 HB THR 30 8.377 4.535 6.909 226 HG1 THR 30 HG1 THR 30 8.890 6.974 8.125 227 1HG2 THR 30 HG21 THR 30 10.783 4.419 6.188 228 2HG2 THR 30 HG23 THR 30 11.158 5.630 7.415 229 3HG2 THR 30 HG22 THR 30 10.536 4.053 7.897 230 H TRP 31 HN TRP 31 11.367 6.452 5.081 231 HA TRP 31 HA TRP 31 12.186 8.740 6.671 232 1HB TRP 31 HB2 TRP 31 14.283 8.613 5.447 233 2HB TRP 31 HB1 TRP 31 13.772 6.998 5.931 234 HD1 TRP 31 HD1 TRP 31 13.324 5.285 4.113 235 HE1 TRP 31 HE1 TRP 31 13.524 5.256 1.547 236 HE3 TRP 31 HE3 TRP 31 13.862 10.278 3.231 237 HZ2 TRP 31 HZ2 TRP 31 13.840 7.114 -0.598 238 HZ3 TRP 31 HZ3 TRP 31 14.090 11.122 0.914 239 HH2 TRP 31 HH2 TRP 31 14.079 9.547 -1.001 240 H CYS 32 HN CYS 32 10.790 8.431 3.467 241 HA CYS 32 HA CYS 32 11.697 11.106 2.662 242 1HB CYS 32 HB2 CYS 32 11.216 9.085 1.114 243 2HB CYS 32 HB1 CYS 32 9.520 9.507 1.312 244 H GLY 33 HN GLY 33 10.781 12.879 3.482 245 1HA GLY 33 HA2 GLY 33 8.416 12.927 5.048 246 2HA GLY 33 HA1 GLY 33 9.197 14.350 4.369 247 HA PRO 34 HA PRO 34 6.229 14.939 1.142 248 1HB PRO 34 HB2 PRO 34 7.674 13.344 -0.925 249 2HB PRO 34 HB1 PRO 34 7.135 15.032 -0.986 250 1HG PRO 34 HG2 PRO 34 9.752 14.333 -0.668 251 2HG PRO 34 HG1 PRO 34 9.069 15.821 0.005 252 1HD PRO 34 HD2 PRO 34 9.909 13.352 1.419 253 2HD PRO 34 HD1 PRO 34 9.733 15.002 2.062 254 H ALA 35 HN ALA 35 7.491 11.633 1.199 255 HA ALA 35 HA ALA 35 4.999 10.477 0.199 256 1HB ALA 35 HB1 ALA 35 7.507 9.598 0.090 257 2HB ALA 35 HB3 ALA 35 7.074 8.839 1.621 258 3HB ALA 35 HB2 ALA 35 6.160 8.467 0.159 259 H LYS 36 HN LYS 36 6.667 10.588 3.362 260 HA LYS 36 HA LYS 36 4.675 9.183 4.838 261 1HB LYS 36 HB2 LYS 36 6.948 9.736 5.698 262 2HB LYS 36 HB1 LYS 36 6.472 11.432 5.800 263 1HG LYS 36 HG2 LYS 36 4.667 10.837 7.363 264 2HG LYS 36 HG1 LYS 36 5.117 9.140 7.247 265 1HD LYS 36 HD2 LYS 36 6.196 9.849 9.221 266 2HD LYS 36 HD1 LYS 36 7.474 9.918 8.011 267 1HE LYS 36 HE2 LYS 36 7.285 12.295 7.813 268 2HE LYS 36 HE1 LYS 36 5.769 12.323 8.713 269 1HZ LYS 36 HZ3 LYS 36 7.047 11.410 10.629 270 2HZ LYS 36 HZ2 LYS 36 8.473 11.690 9.748 271 3HZ LYS 36 HZ1 LYS 36 7.470 12.990 10.185 272 H MET 37 HN MET 37 4.925 12.523 3.798 273 HA MET 37 HA MET 37 2.884 13.692 5.380 274 1HB MET 37 HB2 MET 37 4.485 14.910 3.858 275 2HB MET 37 HB1 MET 37 3.512 14.368 2.491 276 1HG MET 37 HG2 MET 37 1.515 15.441 3.573 277 2HG MET 37 HG1 MET 37 2.595 16.106 4.797 278 1HE MET 37 HE1 MET 37 0.651 17.587 3.276 279 2HE MET 37 HE3 MET 37 1.760 18.775 3.977 280 3HE MET 37 HE2 MET 37 1.314 18.876 2.275 281 H ILE 38 HN ILE 38 2.699 11.557 2.630 282 HA ILE 38 HA ILE 38 -0.139 12.120 2.127 283 HB ILE 38 HB ILE 38 1.564 9.866 1.016 284 1HG1 ILE 38 HG12 ILE 38 1.077 12.603 -0.212 285 2HG1 ILE 38 HG11 ILE 38 2.544 12.184 0.663 286 1HG2 ILE 38 HG22 ILE 38 -1.092 11.100 0.287 287 2HG2 ILE 38 HG21 ILE 38 -0.119 10.297 -0.940 288 3HG2 ILE 38 HG23 ILE 38 -0.672 9.399 0.468 289 1HD1 ILE 38 HD13 ILE 38 2.679 10.168 -0.966 290 2HD1 ILE 38 HD12 ILE 38 1.549 11.088 -1.953 291 3HD1 ILE 38 HD11 ILE 38 3.129 11.762 -1.562 292 H LYS 39 HN LYS 39 1.420 10.295 4.493 293 HA LYS 39 HA LYS 39 -0.084 7.896 4.327 294 1HB LYS 39 HB2 LYS 39 0.700 7.280 6.432 295 2HB LYS 39 HB1 LYS 39 1.972 8.292 5.779 296 1HG LYS 39 HG2 LYS 39 1.463 10.089 7.229 297 2HG LYS 39 HG1 LYS 39 -0.142 9.474 7.609 298 1HD LYS 39 HD2 LYS 39 2.467 8.160 8.415 299 2HD LYS 39 HD1 LYS 39 1.458 9.147 9.470 300 1HE LYS 39 HE2 LYS 39 0.551 7.116 10.053 301 2HE LYS 39 HE1 LYS 39 -0.389 7.333 8.575 302 1HZ LYS 39 HZ2 LYS 39 2.235 6.265 8.112 303 2HZ LYS 39 HZ1 LYS 39 1.275 5.262 9.094 304 3HZ LYS 39 HZ3 LYS 39 0.724 5.718 7.554 305 HA PRO 40 HA PRO 40 -3.230 9.990 7.395 306 1HB PRO 40 HB2 PRO 40 -3.681 12.491 5.840 307 2HB PRO 40 HB1 PRO 40 -3.589 12.261 7.596 308 1HG PRO 40 HG2 PRO 40 -1.609 13.473 6.251 309 2HG PRO 40 HG1 PRO 40 -1.265 12.404 7.621 310 1HD PRO 40 HD2 PRO 40 -0.998 11.855 4.690 311 2HD PRO 40 HD1 PRO 40 0.063 11.333 6.018 312 H PHE 41 HN PHE 41 -3.328 10.773 3.889 313 HA PHE 41 HA PHE 41 -6.154 10.221 3.643 314 1HB PHE 41 HB2 PHE 41 -3.883 10.217 1.639 315 2HB PHE 41 HB1 PHE 41 -5.563 9.946 1.201 316 HD1 PHE 41 HD2 PHE 41 -3.320 12.382 2.921 317 HD2 PHE 41 HD1 PHE 41 -7.016 11.736 0.829 318 HE1 PHE 41 HE2 PHE 41 -3.709 14.833 2.860 319 HE2 PHE 41 HE1 PHE 41 -7.411 14.185 0.772 320 HZ PHE 41 HZ PHE 41 -5.756 15.733 1.782 321 H PHE 42 HN PHE 42 -3.241 8.297 2.908 322 HA PHE 42 HA PHE 42 -4.616 5.924 2.107 323 1HB PHE 42 HB2 PHE 42 -2.231 6.312 1.651 324 2HB PHE 42 HB1 PHE 42 -1.874 6.266 3.381 325 HD1 PHE 42 HD1 PHE 42 -3.145 4.236 0.520 326 HD2 PHE 42 HD2 PHE 42 -1.617 4.195 4.538 327 HE1 PHE 42 HE1 PHE 42 -2.979 1.766 0.441 328 HE2 PHE 42 HE2 PHE 42 -1.450 1.725 4.451 329 HZ PHE 42 HZ PHE 42 -2.137 0.507 2.399 330 H HIS 43 HN HIS 43 -3.192 6.824 5.224 331 HA HIS 43 HA HIS 43 -4.155 4.543 6.653 332 1HB HIS 43 HB2 HIS 43 -2.279 5.917 7.420 333 2HB HIS 43 HB1 HIS 43 -3.347 7.305 7.617 334 HD1 HIS 43 HD1 HIS 43 -2.302 4.128 9.254 335 HD2 HIS 43 HD2 HIS 43 -5.175 7.087 9.788 336 HE1 HIS 43 HE1 HIS 43 -3.361 3.700 11.521 337 H SER 44 HN SER 44 -5.507 7.840 6.274 338 HA SER 44 HA SER 44 -7.709 7.491 8.052 339 1HB SER 44 HB2 SER 44 -7.505 9.262 5.610 340 2HB SER 44 HB1 SER 44 -8.760 9.374 6.837 341 HG SER 44 HG SER 44 -7.394 10.327 8.119 342 H LEU 45 HN LEU 45 -7.412 6.810 4.579 343 HA LEU 45 HA LEU 45 -10.160 6.266 4.099 344 1HB LEU 45 HB2 LEU 45 -7.661 5.217 2.784 345 2HB LEU 45 HB1 LEU 45 -9.271 4.865 2.178 346 HG LEU 45 HG LEU 45 -8.405 7.721 2.687 347 1HD1 LEU 45 HD12 LEU 45 -6.729 6.696 1.186 348 2HD1 LEU 45 HD11 LEU 45 -8.025 6.144 0.125 349 3HD1 LEU 45 HD13 LEU 45 -7.725 7.870 0.326 350 1HD2 LEU 45 HD22 LEU 45 -10.532 6.370 1.019 351 2HD2 LEU 45 HD21 LEU 45 -10.729 7.565 2.302 352 3HD2 LEU 45 HD23 LEU 45 -10.058 8.045 0.750 353 H SER 46 HN SER 46 -7.786 4.433 5.799 354 HA SER 46 HA SER 46 -8.753 1.820 5.418 355 1HB SER 46 HB2 SER 46 -7.715 3.067 7.984 356 2HB SER 46 HB1 SER 46 -7.839 1.341 7.672 357 HG SER 46 HG SER 46 -6.185 3.267 6.426 358 H GLU 47 HN GLU 47 -9.976 4.412 7.522 359 HA GLU 47 HA GLU 47 -12.143 2.687 8.520 360 1HB GLU 47 HB2 GLU 47 -11.596 5.660 8.841 361 2HB GLU 47 HB1 GLU 47 -12.929 4.806 9.617 362 1HG GLU 47 HG2 GLU 47 -10.016 4.042 9.943 363 2HG GLU 47 HG1 GLU 47 -10.895 5.061 11.080 364 H LYS 48 HN LYS 48 -11.637 4.774 5.768 365 HA LYS 48 HA LYS 48 -14.484 5.363 5.408 366 1HB LYS 48 HB2 LYS 48 -12.697 6.816 4.415 367 2HB LYS 48 HB1 LYS 48 -12.275 5.494 3.327 368 1HG LYS 48 HG2 LYS 48 -14.633 5.476 2.488 369 2HG LYS 48 HG1 LYS 48 -14.975 6.872 3.502 370 1HD LYS 48 HD2 LYS 48 -12.749 6.890 1.472 371 2HD LYS 48 HD1 LYS 48 -14.392 7.325 1.037 372 1HE LYS 48 HE2 LYS 48 -14.341 9.028 2.910 373 2HE LYS 48 HE1 LYS 48 -12.621 8.689 3.081 374 1HZ LYS 48 HZ1 LYS 48 -13.013 9.069 0.399 375 2HZ LYS 48 HZ3 LYS 48 -13.954 10.271 1.137 376 3HZ LYS 48 HZ2 LYS 48 -12.293 10.161 1.484 377 H TYR 49 HN TYR 49 -12.140 2.992 4.343 378 HA TYR 49 HA TYR 49 -14.388 1.346 3.206 379 1HB TYR 49 HB2 TYR 49 -11.507 1.527 2.240 380 2HB TYR 49 HB1 TYR 49 -12.709 0.388 1.631 381 HD1 TYR 49 HD2 TYR 49 -14.918 1.362 0.739 382 HD2 TYR 49 HD1 TYR 49 -11.357 3.695 1.293 383 HE1 TYR 49 HE2 TYR 49 -15.814 3.086 -0.796 384 HE2 TYR 49 HE1 TYR 49 -12.253 5.420 -0.249 385 HH TYR 49 HH TYR 49 -14.347 5.098 -2.364 386 H SER 50 HN SER 50 -14.291 0.874 5.647 387 HA SER 50 HA SER 50 -12.130 -0.623 6.769 388 1HB SER 50 HB2 SER 50 -13.674 -1.168 8.529 389 2HB SER 50 HB1 SER 50 -14.039 0.472 8.027 390 HG SER 50 HG SER 50 -15.982 -0.411 7.918 391 H ASN 51 HN ASN 51 -14.330 -1.383 4.325 392 HA ASN 51 HA ASN 51 -14.297 -4.290 4.877 393 1HB ASN 51 HB2 ASN 51 -16.320 -3.085 3.905 394 2HB ASN 51 HB1 ASN 51 -15.381 -2.886 2.425 395 1HD2 ASN 51 HD22 ASN 51 -15.994 -6.173 1.343 396 2HD2 ASN 51 HD21 ASN 51 -15.449 -4.610 0.967 397 H VAL 52 HN VAL 52 -12.083 -2.231 3.906 398 HA VAL 52 HA VAL 52 -10.850 -4.127 1.960 399 HB VAL 52 HB VAL 52 -10.889 -1.094 1.901 400 1HG1 VAL 52 HG12 VAL 52 -8.912 -3.041 0.734 401 2HG1 VAL 52 HG11 VAL 52 -9.332 -1.599 -0.191 402 3HG1 VAL 52 HG13 VAL 52 -8.636 -1.443 1.419 403 1HG2 VAL 52 HG22 VAL 52 -11.706 -3.300 -0.015 404 2HG2 VAL 52 HG21 VAL 52 -12.733 -2.066 0.717 405 3HG2 VAL 52 HG23 VAL 52 -11.550 -1.614 -0.509 406 H ILE 53 HN ILE 53 -8.646 -4.541 2.361 407 HA ILE 53 HA ILE 53 -7.715 -3.620 5.048 408 HB ILE 53 HB ILE 53 -6.515 -5.761 3.271 409 1HG1 ILE 53 HG12 ILE 53 -8.792 -6.440 3.732 410 2HG1 ILE 53 HG11 ILE 53 -7.743 -7.349 4.815 411 1HG2 ILE 53 HG21 ILE 53 -5.176 -4.710 5.197 412 2HG2 ILE 53 HG23 ILE 53 -6.344 -5.470 6.274 413 3HG2 ILE 53 HG22 ILE 53 -5.342 -6.462 5.217 414 1HD1 ILE 53 HD11 ILE 53 -8.180 -5.399 6.498 415 2HD1 ILE 53 HD13 ILE 53 -9.554 -5.032 5.458 416 3HD1 ILE 53 HD12 ILE 53 -9.446 -6.602 6.251 417 H PHE 54 HN PHE 54 -6.287 -1.988 5.129 418 HA PHE 54 HA PHE 54 -4.693 -1.320 2.698 419 1HB PHE 54 HB2 PHE 54 -5.294 0.206 5.251 420 2HB PHE 54 HB1 PHE 54 -4.217 0.798 3.988 421 HD1 PHE 54 HD1 PHE 54 -7.726 -0.413 4.562 422 HD2 PHE 54 HD2 PHE 54 -5.084 1.914 2.112 423 HE1 PHE 54 HE1 PHE 54 -9.668 0.464 3.283 424 HE2 PHE 54 HE2 PHE 54 -7.017 2.777 0.828 425 HZ PHE 54 HZ PHE 54 -9.307 2.047 1.414 426 H LEU 55 HN LEU 55 -2.537 -1.822 2.650 427 HA LEU 55 HA LEU 55 -1.178 -2.558 5.229 428 1HB LEU 55 HB2 LEU 55 -0.702 -3.552 2.410 429 2HB LEU 55 HB1 LEU 55 0.523 -3.722 3.662 430 HG LEU 55 HG LEU 55 -0.799 -5.211 4.917 431 1HD1 LEU 55 HD13 LEU 55 -3.144 -4.198 3.312 432 2HD1 LEU 55 HD12 LEU 55 -3.222 -5.674 4.275 433 3HD1 LEU 55 HD11 LEU 55 -2.900 -4.131 5.059 434 1HD2 LEU 55 HD22 LEU 55 0.037 -6.201 2.802 435 2HD2 LEU 55 HD21 LEU 55 -1.453 -6.970 3.352 436 3HD2 LEU 55 HD23 LEU 55 -1.498 -5.803 2.029 437 H GLU 56 HN GLU 56 0.844 -1.710 5.650 438 HA GLU 56 HA GLU 56 1.736 0.521 3.844 439 1HB GLU 56 HB2 GLU 56 0.898 1.199 6.159 440 2HB GLU 56 HB1 GLU 56 2.255 0.287 6.825 441 1HG GLU 56 HG2 GLU 56 3.790 1.659 5.363 442 2HG GLU 56 HG1 GLU 56 2.399 2.660 4.947 443 H VAL 57 HN VAL 57 3.743 0.214 3.017 444 HA VAL 57 HA VAL 57 5.501 -1.878 4.273 445 HB VAL 57 HB VAL 57 5.004 -1.313 1.338 446 1HG1 VAL 57 HG13 VAL 57 6.894 -3.236 2.711 447 2HG1 VAL 57 HG12 VAL 57 6.480 -3.309 1.003 448 3HG1 VAL 57 HG11 VAL 57 7.335 -1.906 1.639 449 1HG2 VAL 57 HG23 VAL 57 3.237 -2.580 2.548 450 2HG2 VAL 57 HG22 VAL 57 4.052 -3.548 1.316 451 3HG2 VAL 57 HG21 VAL 57 4.451 -3.765 3.013 452 H ASP 58 HN ASP 58 7.541 -1.224 4.653 453 HA ASP 58 HA ASP 58 8.369 1.503 3.777 454 1HB ASP 58 HB2 ASP 58 8.476 0.724 6.206 455 2HB ASP 58 HB1 ASP 58 9.750 -0.390 5.685 456 H VAL 59 HN VAL 59 9.656 1.548 1.923 457 HA VAL 59 HA VAL 59 10.801 -0.873 0.836 458 HB VAL 59 HB VAL 59 12.054 0.656 -0.672 459 1HG1 VAL 59 HG11 VAL 59 9.140 1.294 -0.156 460 2HG1 VAL 59 HG13 VAL 59 10.014 1.877 -1.572 461 3HG1 VAL 59 HG12 VAL 59 9.799 0.145 -1.317 462 1HG2 VAL 59 HG22 VAL 59 11.001 2.756 1.241 463 2HG2 VAL 59 HG21 VAL 59 12.676 2.448 0.781 464 3HG2 VAL 59 HG23 VAL 59 11.557 3.149 -0.387 465 H ASP 60 HN ASP 60 11.786 1.380 3.260 466 HA ASP 60 HA ASP 60 14.629 0.584 3.111 467 1HB ASP 60 HB2 ASP 60 13.022 2.616 4.630 468 2HB ASP 60 HB1 ASP 60 14.659 2.233 5.134 469 H ASP 61 HN ASP 61 11.923 0.179 5.461 470 HA ASP 61 HA ASP 61 13.716 -1.562 7.106 471 1HB ASP 61 HB2 ASP 61 10.864 -0.642 7.640 472 2HB ASP 61 HB1 ASP 61 11.878 -1.556 8.750 473 H ALA 62 HN ALA 62 11.200 -1.687 4.762 474 HA ALA 62 HA ALA 62 10.973 -4.656 5.103 475 1HB ALA 62 HB1 ALA 62 8.857 -3.267 5.545 476 2HB ALA 62 HB3 ALA 62 8.878 -2.891 3.824 477 3HB ALA 62 HB2 ALA 62 8.708 -4.560 4.354 478 H GLN 63 HN GLN 63 13.042 -3.478 3.672 479 HA GLN 63 HA GLN 63 12.533 -3.047 0.907 480 1HB GLN 63 HB2 GLN 63 14.916 -3.322 0.592 481 2HB GLN 63 HB1 GLN 63 14.666 -2.502 2.133 482 1HG GLN 63 HG2 GLN 63 14.778 -4.783 3.240 483 2HG GLN 63 HG1 GLN 63 15.326 -5.417 1.688 484 1HE2 GLN 63 HE22 GLN 63 18.568 -4.660 3.011 485 2HE2 GLN 63 HE21 GLN 63 17.452 -5.910 2.745 486 H ASP 64 HN ASP 64 12.534 -5.952 2.770 487 HA ASP 64 HA ASP 64 13.218 -7.849 0.750 488 1HB ASP 64 HB2 ASP 64 11.819 -9.428 2.170 489 2HB ASP 64 HB1 ASP 64 13.093 -8.581 3.044 490 H VAL 65 HN VAL 65 10.126 -6.333 1.642 491 HA VAL 65 HA VAL 65 8.553 -7.864 -0.244 492 HB VAL 65 HB VAL 65 7.940 -5.117 0.889 493 1HG1 VAL 65 HG11 VAL 65 6.488 -5.931 -0.965 494 2HG1 VAL 65 HG13 VAL 65 6.121 -7.372 -0.019 495 3HG1 VAL 65 HG12 VAL 65 5.608 -5.785 0.555 496 1HG2 VAL 65 HG23 VAL 65 7.814 -7.851 2.133 497 2HG2 VAL 65 HG22 VAL 65 8.284 -6.316 2.856 498 3HG2 VAL 65 HG21 VAL 65 6.584 -6.664 2.564 499 H ALA 66 HN ALA 66 10.009 -4.635 -0.257 500 HA ALA 66 HA ALA 66 9.016 -3.877 -2.840 501 1HB ALA 66 HB1 ALA 66 9.925 -2.419 -0.907 502 2HB ALA 66 HB3 ALA 66 11.515 -2.754 -1.593 503 3HB ALA 66 HB2 ALA 66 10.288 -1.936 -2.560 504 H SER 67 HN SER 67 12.097 -5.333 -1.786 505 HA SER 67 HA SER 67 13.445 -5.083 -4.288 506 1HB SER 67 HB2 SER 67 14.923 -6.839 -3.492 507 2HB SER 67 HB1 SER 67 14.526 -5.788 -2.134 508 HG SER 67 HG SER 67 13.711 -8.402 -2.703 509 H GLU 68 HN GLU 68 11.171 -7.482 -3.068 510 HA GLU 68 HA GLU 68 11.463 -9.355 -5.215 511 1HB GLU 68 HB2 GLU 68 10.302 -9.796 -3.005 512 2HB GLU 68 HB1 GLU 68 8.946 -8.837 -3.598 513 1HG GLU 68 HG2 GLU 68 10.050 -11.213 -5.121 514 2HG GLU 68 HG1 GLU 68 8.747 -11.361 -3.945 515 H ALA 69 HN ALA 69 9.378 -6.514 -4.757 516 HA ALA 69 HA ALA 69 8.063 -6.944 -7.342 517 1HB ALA 69 HB2 ALA 69 6.817 -5.970 -5.440 518 2HB ALA 69 HB1 ALA 69 7.913 -4.588 -5.448 519 3HB ALA 69 HB3 ALA 69 6.850 -4.879 -6.825 520 H GLU 70 HN GLU 70 11.054 -5.694 -6.491 521 HA GLU 70 HA GLU 70 12.558 -4.300 -7.636 522 1HB GLU 70 HB2 GLU 70 10.720 -4.902 -9.967 523 2HB GLU 70 HB1 GLU 70 12.323 -4.196 -10.093 524 1HG GLU 70 HG2 GLU 70 11.724 -6.908 -8.895 525 2HG GLU 70 HG1 GLU 70 12.312 -6.633 -10.533 526 H VAL 71 HN VAL 71 10.790 -2.820 -6.168 527 HA VAL 71 HA VAL 71 9.223 -0.988 -7.706 528 HB VAL 71 HB VAL 71 10.620 -0.375 -5.083 529 1HG1 VAL 71 HG11 VAL 71 8.161 0.684 -6.504 530 2HG1 VAL 71 HG13 VAL 71 8.504 1.016 -4.808 531 3HG1 VAL 71 HG12 VAL 71 9.618 1.571 -6.063 532 1HG2 VAL 71 HG21 VAL 71 8.074 -1.923 -5.674 533 2HG2 VAL 71 HG23 VAL 71 9.450 -2.433 -4.696 534 3HG2 VAL 71 HG22 VAL 71 8.372 -1.167 -4.110 535 H LYS 72 HN LYS 72 9.821 0.807 -8.847 536 HA LYS 72 HA LYS 72 12.723 1.463 -8.939 537 1HB LYS 72 HB2 LYS 72 10.512 2.045 -10.922 538 2HB LYS 72 HB1 LYS 72 12.212 2.454 -11.146 539 1HG LYS 72 HG2 LYS 72 12.602 -0.126 -10.688 540 2HG LYS 72 HG1 LYS 72 10.906 -0.272 -11.137 541 1HD LYS 72 HD2 LYS 72 13.029 1.067 -12.846 542 2HD LYS 72 HD1 LYS 72 12.446 -0.581 -13.077 543 1HE LYS 72 HE2 LYS 72 10.139 0.308 -13.373 544 2HE LYS 72 HE1 LYS 72 10.783 1.946 -13.246 545 1HZ LYS 72 HZ1 LYS 72 12.278 1.375 -15.125 546 2HZ LYS 72 HZ3 LYS 72 11.433 -0.083 -15.308 547 3HZ LYS 72 HZ2 LYS 72 10.629 1.398 -15.536 548 H ALA 73 HN ALA 73 9.742 2.702 -7.783 549 HA ALA 73 HA ALA 73 11.053 5.174 -6.959 550 1HB ALA 73 HB1 ALA 73 8.932 5.205 -9.095 551 2HB ALA 73 HB3 ALA 73 9.219 6.600 -8.053 552 3HB ALA 73 HB2 ALA 73 10.507 6.003 -9.096 553 H THR 74 HN THR 74 9.768 6.396 -5.431 554 HA THR 74 HA THR 74 7.289 5.044 -4.444 555 HB THR 74 HB THR 74 8.021 5.377 -2.147 556 HG1 THR 74 HG1 THR 74 10.486 6.238 -2.461 557 1HG2 THR 74 HG22 THR 74 10.152 4.210 -3.907 558 2HG2 THR 74 HG21 THR 74 10.228 4.138 -2.152 559 3HG2 THR 74 HG23 THR 74 8.901 3.358 -3.013 560 HA PRO 75 HA PRO 75 5.915 5.671 -2.613 561 1HB PRO 75 HB2 PRO 75 3.349 6.705 -2.621 562 2HB PRO 75 HB1 PRO 75 4.597 7.126 -1.442 563 1HG PRO 75 HG2 PRO 75 3.541 8.742 -3.686 564 2HG PRO 75 HG1 PRO 75 4.337 9.263 -2.199 565 1HD PRO 75 HD2 PRO 75 5.519 9.124 -4.788 566 2HD PRO 75 HD1 PRO 75 6.366 9.432 -3.246 567 H THR 76 HN THR 76 4.890 3.816 -3.314 568 HA THR 76 HA THR 76 3.468 3.915 -5.948 569 HB THR 76 HB THR 76 5.405 1.754 -5.076 570 HG1 THR 76 HG1 THR 76 5.576 3.553 -7.252 571 1HG2 THR 76 HG22 THR 76 3.577 2.105 -7.461 572 2HG2 THR 76 HG21 THR 76 4.981 1.041 -7.511 573 3HG2 THR 76 HG23 THR 76 3.681 0.729 -6.362 574 H PHE 77 HN PHE 77 1.594 2.865 -5.954 575 HA PHE 77 HA PHE 77 0.824 1.337 -3.497 576 1HB PHE 77 HB2 PHE 77 -0.885 2.797 -5.529 577 2HB PHE 77 HB1 PHE 77 -1.481 1.964 -4.088 578 HD1 PHE 77 HD1 PHE 77 -0.856 2.779 -1.818 579 HD2 PHE 77 HD2 PHE 77 0.197 4.935 -5.384 580 HE1 PHE 77 HE1 PHE 77 -0.367 4.793 -0.456 581 HE2 PHE 77 HE2 PHE 77 0.687 6.951 -4.020 582 HZ PHE 77 HZ PHE 77 0.406 6.879 -1.555 583 H GLN 78 HN GLN 78 0.358 -0.784 -3.729 584 HA GLN 78 HA GLN 78 -0.144 -1.851 -6.496 585 1HB GLN 78 HB2 GLN 78 1.389 -3.092 -4.196 586 2HB GLN 78 HB1 GLN 78 0.896 -3.983 -5.634 587 1HG GLN 78 HG2 GLN 78 2.107 -2.256 -7.020 588 2HG GLN 78 HG1 GLN 78 2.745 -1.579 -5.526 589 1HE2 GLN 78 HE22 GLN 78 5.471 -3.815 -6.020 590 2HE2 GLN 78 HE21 GLN 78 4.974 -2.192 -6.036 591 H PHE 79 HN PHE 79 -1.863 -3.183 -6.703 592 HA PHE 79 HA PHE 79 -3.608 -3.486 -4.282 593 1HB PHE 79 HB2 PHE 79 -4.223 -3.500 -7.251 594 2HB PHE 79 HB1 PHE 79 -5.413 -3.840 -5.989 595 HD1 PHE 79 HD2 PHE 79 -3.015 -1.292 -7.241 596 HD2 PHE 79 HD1 PHE 79 -6.376 -2.089 -4.693 597 HE1 PHE 79 HE2 PHE 79 -3.265 1.135 -6.819 598 HE2 PHE 79 HE1 PHE 79 -6.629 0.338 -4.265 599 HZ PHE 79 HZ PHE 79 -5.077 1.952 -5.330 600 H PHE 80 HN PHE 80 -4.141 -5.443 -3.553 601 HA PHE 80 HA PHE 80 -3.469 -7.835 -5.196 602 1HB PHE 80 HB2 PHE 80 -2.863 -7.357 -2.282 603 2HB PHE 80 HB1 PHE 80 -2.875 -8.965 -3.004 604 HD1 PHE 80 HD2 PHE 80 -1.129 -5.699 -2.906 605 HD2 PHE 80 HD1 PHE 80 -1.207 -9.642 -4.622 606 HE1 PHE 80 HE2 PHE 80 1.199 -5.408 -3.703 607 HE2 PHE 80 HE1 PHE 80 1.119 -9.345 -5.413 608 HZ PHE 80 HZ PHE 80 2.325 -7.230 -4.948 609 H LYS 81 HN LYS 81 -4.872 -9.552 -5.007 610 HA LYS 81 HA LYS 81 -7.096 -9.376 -3.076 611 1HB LYS 81 HB2 LYS 81 -7.656 -8.089 -5.261 612 2HB LYS 81 HB1 LYS 81 -7.679 -9.670 -6.039 613 1HG LYS 81 HG2 LYS 81 -9.333 -10.378 -4.211 614 2HG LYS 81 HG1 LYS 81 -9.453 -8.668 -3.804 615 1HD LYS 81 HD2 LYS 81 -9.999 -8.261 -6.278 616 2HD LYS 81 HD1 LYS 81 -10.207 -10.007 -6.409 617 1HE LYS 81 HE2 LYS 81 -11.929 -9.957 -4.653 618 2HE LYS 81 HE1 LYS 81 -11.702 -8.219 -4.462 619 1HZ LYS 81 HZ2 LYS 81 -12.477 -9.464 -7.042 620 2HZ LYS 81 HZ1 LYS 81 -13.615 -8.928 -5.903 621 3HZ LYS 81 HZ3 LYS 81 -12.545 -7.821 -6.615 622 H LYS 82 HN LYS 82 -7.509 -11.453 -2.409 623 HA LYS 82 HA LYS 82 -7.302 -13.782 -2.229 624 1HB LYS 82 HB2 LYS 82 -7.300 -13.648 -5.266 625 2HB LYS 82 HB1 LYS 82 -7.557 -15.093 -4.293 626 1HG LYS 82 HG2 LYS 82 -9.487 -13.755 -3.186 627 2HG LYS 82 HG1 LYS 82 -9.347 -12.686 -4.582 628 1HD LYS 82 HD2 LYS 82 -9.573 -14.709 -6.061 629 2HD LYS 82 HD1 LYS 82 -9.922 -15.659 -4.617 630 1HE LYS 82 HE2 LYS 82 -11.847 -14.214 -4.115 631 2HE LYS 82 HE1 LYS 82 -11.493 -13.239 -5.544 632 1HZ LYS 82 HZ2 LYS 82 -11.774 -15.223 -6.907 633 2HZ LYS 82 HZ1 LYS 82 -12.172 -16.126 -5.526 634 3HZ LYS 82 HZ3 LYS 82 -13.187 -14.868 -6.034 635 H GLY 83 HN GLY 83 -4.848 -12.099 -2.374 636 1HA GLY 83 HA2 GLY 83 -2.559 -12.601 -2.196 637 2HA GLY 83 HA1 GLY 83 -2.938 -14.272 -2.599 638 H GLN 84 HN GLN 84 -4.130 -11.883 -4.782 639 HA GLN 84 HA GLN 84 -1.848 -12.397 -6.648 640 1HB GLN 84 HB2 GLN 84 -4.811 -12.375 -7.269 641 2HB GLN 84 HB1 GLN 84 -3.541 -12.404 -8.491 642 1HG GLN 84 HG2 GLN 84 -2.657 -14.504 -7.426 643 2HG GLN 84 HG1 GLN 84 -4.074 -14.504 -6.375 644 1HE2 GLN 84 HE22 GLN 84 -6.208 -14.775 -9.470 645 2HE2 GLN 84 HE21 GLN 84 -5.999 -13.558 -8.301 646 H LYS 85 HN LYS 85 -1.195 -10.631 -7.881 647 HA LYS 85 HA LYS 85 -2.090 -8.004 -6.942 648 1HB LYS 85 HB2 LYS 85 0.295 -8.541 -7.496 649 2HB LYS 85 HB1 LYS 85 -0.179 -8.633 -9.194 650 1HG LYS 85 HG2 LYS 85 -1.127 -6.283 -8.930 651 2HG LYS 85 HG1 LYS 85 -0.325 -6.225 -7.364 652 1HD LYS 85 HD2 LYS 85 1.097 -6.834 -9.966 653 2HD LYS 85 HD1 LYS 85 1.022 -5.231 -9.242 654 1HE LYS 85 HE2 LYS 85 3.057 -6.023 -8.411 655 2HE LYS 85 HE1 LYS 85 1.962 -6.465 -7.108 656 1HZ LYS 85 HZ3 LYS 85 1.855 -8.549 -8.901 657 2HZ LYS 85 HZ2 LYS 85 3.501 -8.139 -8.807 658 3HZ LYS 85 HZ1 LYS 85 2.640 -8.541 -7.398 659 H VAL 86 HN VAL 86 -3.563 -6.721 -7.924 660 HA VAL 86 HA VAL 86 -4.506 -7.507 -10.658 661 HB VAL 86 HB VAL 86 -6.731 -6.613 -9.955 662 1HG1 VAL 86 HG13 VAL 86 -6.006 -9.073 -9.794 663 2HG1 VAL 86 HG12 VAL 86 -5.817 -8.787 -8.063 664 3HG1 VAL 86 HG11 VAL 86 -7.396 -8.593 -8.824 665 1HG2 VAL 86 HG21 VAL 86 -5.850 -5.175 -8.111 666 2HG2 VAL 86 HG23 VAL 86 -7.156 -6.234 -7.582 667 3HG2 VAL 86 HG22 VAL 86 -5.484 -6.632 -7.187 668 H GLY 87 HN GLY 87 -2.626 -5.246 -9.321 669 1HA GLY 87 HA2 GLY 87 -2.855 -3.388 -11.397 670 2HA GLY 87 HA1 GLY 87 -3.989 -2.820 -10.182 671 H GLU 88 HN GLU 88 -1.790 -1.315 -11.012 672 HA GLU 88 HA GLU 88 -0.516 -0.760 -8.468 673 1HB GLU 88 HB2 GLU 88 0.921 -2.584 -9.065 674 2HB GLU 88 HB1 GLU 88 1.076 -2.001 -10.716 675 1HG GLU 88 HG2 GLU 88 1.968 -0.288 -8.399 676 2HG GLU 88 HG1 GLU 88 3.021 -1.557 -9.025 677 H PHE 89 HN PHE 89 0.514 1.310 -8.470 678 HA PHE 89 HA PHE 89 1.015 2.713 -10.963 679 1HB PHE 89 HB2 PHE 89 -0.659 4.389 -10.920 680 2HB PHE 89 HB1 PHE 89 -1.526 2.877 -10.693 681 HD1 PHE 89 HD1 PHE 89 -0.087 5.798 -8.898 682 HD2 PHE 89 HD2 PHE 89 -2.840 2.511 -8.723 683 HE1 PHE 89 HE1 PHE 89 -1.049 6.722 -6.805 684 HE2 PHE 89 HE2 PHE 89 -3.803 3.428 -6.625 685 HZ PHE 89 HZ PHE 89 -2.916 5.544 -5.670 686 H SER 90 HN SER 90 1.883 4.899 -10.560 687 HA SER 90 HA SER 90 2.923 5.234 -7.766 688 1HB SER 90 HB2 SER 90 5.017 6.063 -8.758 689 2HB SER 90 HB1 SER 90 4.697 4.403 -9.267 690 HG SER 90 HG SER 90 3.484 6.106 -10.938 691 H GLY 91 HN GLY 91 3.644 7.464 -7.331 692 1HA GLY 91 HA2 GLY 91 3.572 9.842 -8.147 693 2HA GLY 91 HA1 GLY 91 1.988 9.486 -8.822 694 H ALA 92 HN ALA 92 2.926 11.389 -6.635 695 HA ALA 92 HA ALA 92 1.706 10.351 -4.196 696 1HB ALA 92 HB1 ALA 92 2.791 13.008 -5.096 697 2HB ALA 92 HB3 ALA 92 1.952 12.860 -3.555 698 3HB ALA 92 HB2 ALA 92 3.426 11.937 -3.857 699 H ASN 93 HN ASN 93 -0.307 9.859 -5.765 700 HA ASN 93 HA ASN 93 -2.204 12.182 -5.636 701 1HB ASN 93 HB2 ASN 93 -1.653 11.291 -7.940 702 2HB ASN 93 HB1 ASN 93 -2.394 9.767 -7.452 703 1HD2 ASN 93 HD22 ASN 93 -5.296 12.471 -6.935 704 2HD2 ASN 93 HD21 ASN 93 -4.001 12.270 -5.857 705 H LYS 94 HN LYS 94 -3.063 11.768 -3.587 706 HA LYS 94 HA LYS 94 -3.754 9.140 -2.622 707 1HB LYS 94 HB2 LYS 94 -5.042 10.432 -0.916 708 2HB LYS 94 HB1 LYS 94 -3.352 10.894 -1.049 709 1HG LYS 94 HG2 LYS 94 -5.071 12.465 -2.863 710 2HG LYS 94 HG1 LYS 94 -5.569 12.636 -1.187 711 1HD LYS 94 HD2 LYS 94 -3.188 13.169 -0.593 712 2HD LYS 94 HD1 LYS 94 -2.806 13.155 -2.320 713 1HE LYS 94 HE2 LYS 94 -4.493 14.919 -2.695 714 2HE LYS 94 HE1 LYS 94 -4.855 14.932 -0.967 715 1HZ LYS 94 HZ3 LYS 94 -2.143 15.412 -2.056 716 2HZ LYS 94 HZ2 LYS 94 -3.245 16.666 -1.740 717 3HZ LYS 94 HZ1 LYS 94 -2.687 15.680 -0.473 718 H GLU 95 HN GLU 95 -5.570 11.591 -4.418 719 HA GLU 95 HA GLU 95 -8.184 10.500 -4.027 720 1HB GLU 95 HB2 GLU 95 -7.013 12.061 -6.350 721 2HB GLU 95 HB1 GLU 95 -8.731 11.762 -6.114 722 1HG GLU 95 HG2 GLU 95 -6.960 13.165 -4.095 723 2HG GLU 95 HG1 GLU 95 -7.986 14.001 -5.262 724 H LYS 96 HN LYS 96 -5.566 9.669 -6.173 725 HA LYS 96 HA LYS 96 -6.964 8.122 -8.098 726 1HB LYS 96 HB2 LYS 96 -4.552 8.912 -8.101 727 2HB LYS 96 HB1 LYS 96 -4.194 7.575 -7.024 728 1HG LYS 96 HG2 LYS 96 -4.712 5.951 -8.646 729 2HG LYS 96 HG1 LYS 96 -5.594 7.104 -9.652 730 1HD LYS 96 HD2 LYS 96 -3.493 8.307 -10.123 731 2HD LYS 96 HD1 LYS 96 -2.609 7.146 -9.132 732 1HE LYS 96 HE2 LYS 96 -3.380 5.317 -10.622 733 2HE LYS 96 HE1 LYS 96 -4.202 6.507 -11.630 734 1HZ LYS 96 HZ3 LYS 96 -1.930 7.620 -11.753 735 2HZ LYS 96 HZ2 LYS 96 -1.308 6.142 -11.192 736 3HZ LYS 96 HZ1 LYS 96 -2.163 6.205 -12.659 737 H LEU 97 HN LEU 97 -5.723 7.349 -4.895 738 HA LEU 97 HA LEU 97 -6.038 4.524 -4.925 739 1HB LEU 97 HB2 LEU 97 -6.313 6.587 -2.725 740 2HB LEU 97 HB1 LEU 97 -6.422 4.865 -2.412 741 HG LEU 97 HG LEU 97 -4.054 6.187 -3.749 742 1HD1 LEU 97 HD13 LEU 97 -4.583 5.477 -0.852 743 2HD1 LEU 97 HD12 LEU 97 -2.967 5.783 -1.485 744 3HD1 LEU 97 HD11 LEU 97 -4.180 7.065 -1.513 745 1HD2 LEU 97 HD22 LEU 97 -4.729 3.385 -2.862 746 2HD2 LEU 97 HD21 LEU 97 -3.885 3.924 -4.311 747 3HD2 LEU 97 HD23 LEU 97 -3.057 3.919 -2.763 748 H GLU 98 HN GLU 98 -8.241 7.157 -4.239 749 HA GLU 98 HA GLU 98 -10.415 5.575 -3.286 750 1HB GLU 98 HB2 GLU 98 -10.265 8.030 -3.027 751 2HB GLU 98 HB1 GLU 98 -10.532 8.217 -4.759 752 1HG GLU 98 HG2 GLU 98 -12.726 7.066 -4.526 753 2HG GLU 98 HG1 GLU 98 -12.459 6.953 -2.784 754 H ALA 99 HN ALA 99 -9.641 6.662 -6.601 755 HA ALA 99 HA ALA 99 -12.047 5.509 -7.705 756 1HB ALA 99 HB2 ALA 99 -10.636 7.288 -8.820 757 2HB ALA 99 HB1 ALA 99 -9.450 6.033 -9.182 758 3HB ALA 99 HB3 ALA 99 -11.071 5.941 -9.871 759 H THR 100 HN THR 100 -8.691 4.295 -7.502 760 HA THR 100 HA THR 100 -9.180 1.883 -8.959 761 HB THR 100 HB THR 100 -7.159 2.243 -6.728 762 HG1 THR 100 HG1 THR 100 -7.174 3.094 -9.423 763 1HG2 THR 100 HG23 THR 100 -7.255 0.531 -9.225 764 2HG2 THR 100 HG22 THR 100 -5.850 0.677 -8.168 765 3HG2 THR 100 HG21 THR 100 -7.345 -0.034 -7.559 766 H ILE 101 HN ILE 101 -9.447 2.623 -5.484 767 HA ILE 101 HA ILE 101 -10.014 -0.054 -4.584 768 HB ILE 101 HB ILE 101 -10.886 2.667 -3.536 769 1HG1 ILE 101 HG12 ILE 101 -8.894 0.739 -2.322 770 2HG1 ILE 101 HG11 ILE 101 -8.406 1.922 -3.533 771 1HG2 ILE 101 HG23 ILE 101 -11.276 -0.110 -2.388 772 2HG2 ILE 101 HG22 ILE 101 -11.342 1.348 -1.398 773 3HG2 ILE 101 HG21 ILE 101 -12.508 1.115 -2.698 774 1HD1 ILE 101 HD12 ILE 101 -9.378 3.727 -2.086 775 2HD1 ILE 101 HD11 ILE 101 -9.710 2.508 -0.855 776 3HD1 ILE 101 HD13 ILE 101 -8.044 2.868 -1.314 777 H ASN 102 HN ASN 102 -12.147 2.639 -5.529 778 HA ASN 102 HA ASN 102 -14.605 1.212 -5.335 779 1HB ASN 102 HB2 ASN 102 -14.478 3.679 -5.576 780 2HB ASN 102 HB1 ASN 102 -13.890 3.479 -7.230 781 1HD2 ASN 102 HD22 ASN 102 -17.836 3.354 -6.547 782 2HD2 ASN 102 HD21 ASN 102 -16.706 3.888 -5.399 783 H GLU 103 HN GLU 103 -12.192 1.466 -7.875 784 HA GLU 103 HA GLU 103 -13.732 0.225 -9.944 785 1HB GLU 103 HB2 GLU 103 -11.567 1.586 -10.138 786 2HB GLU 103 HB1 GLU 103 -10.726 0.122 -9.644 787 1HG GLU 103 HG2 GLU 103 -12.623 0.227 -12.004 788 2HG GLU 103 HG1 GLU 103 -10.879 0.429 -12.147 789 H LEU 104 HN LEU 104 -11.533 -1.083 -7.456 790 HA LEU 104 HA LEU 104 -12.058 -3.848 -8.437 791 1HB LEU 104 HB2 LEU 104 -10.131 -2.779 -6.368 792 2HB LEU 104 HB1 LEU 104 -10.295 -4.482 -6.773 793 HG LEU 104 HG LEU 104 -9.619 -2.334 -8.800 794 1HD1 LEU 104 HD11 LEU 104 -7.852 -4.059 -7.070 795 2HD1 LEU 104 HD13 LEU 104 -7.289 -3.420 -8.614 796 3HD1 LEU 104 HD12 LEU 104 -7.772 -2.317 -7.328 797 1HD2 LEU 104 HD22 LEU 104 -9.734 -5.355 -8.837 798 2HD2 LEU 104 HD21 LEU 104 -10.414 -4.213 -9.996 799 3HD2 LEU 104 HD23 LEU 104 -8.677 -4.493 -9.951 800 H VAL 105 HN VAL 105 -13.443 -1.749 -6.185 801 HA VAL 105 HA VAL 105 -13.786 -3.521 -3.955 802 HB VAL 105 HB VAL 105 -14.308 -1.006 -4.029 803 1HG1 VAL 105 HG13 VAL 105 -15.842 -1.382 -6.094 804 2HG1 VAL 105 HG12 VAL 105 -17.050 -1.893 -4.926 805 3HG1 VAL 105 HG11 VAL 105 -16.388 -0.259 -4.853 806 1HG2 VAL 105 HG23 VAL 105 -16.269 -2.995 -2.852 807 2HG2 VAL 105 HG22 VAL 105 -14.850 -2.305 -2.063 808 3HG2 VAL 105 HG21 VAL 105 -16.242 -1.284 -2.425 809 HA PRO 59 HA PRO 106 14.770 15.359 -13.395 810 1HB PRO 59 HB2 PRO 106 17.190 15.271 -11.611 811 2HB PRO 59 HB1 PRO 106 16.896 14.434 -13.149 812 1HG PRO 59 HG2 PRO 106 18.447 16.583 -13.061 813 2HG PRO 59 HG1 PRO 106 17.330 16.323 -14.415 814 1HD PRO 59 HD2 PRO 106 17.108 18.256 -12.137 815 2HD PRO 59 HD1 PRO 106 16.521 18.411 -13.810 816 H ALA 60 HN ALA 107 15.205 16.768 -10.190 817 HA ALA 60 HA ALA 107 14.101 14.355 -8.876 818 1HB ALA 60 HB2 ALA 107 14.972 17.031 -7.742 819 2HB ALA 60 HB1 ALA 107 14.485 15.631 -6.788 820 3HB ALA 60 HB3 ALA 107 15.944 15.560 -7.776 821 H THR 61 HN THR 108 11.939 14.140 -8.524 822 HA THR 61 HA THR 108 10.191 16.575 -8.755 823 HB THR 61 HB THR 108 9.449 13.652 -9.109 824 HG1 THR 61 HG1 THR 108 10.560 14.070 -10.882 825 1HG2 THR 61 HG23 THR 108 7.606 15.152 -8.385 826 2HG2 THR 61 HG22 THR 108 7.950 16.211 -9.750 827 3HG2 THR 61 HG21 THR 108 7.369 14.570 -10.029 828 H LEU 62 HN LEU 109 9.077 17.181 -6.934 829 HA LEU 62 HA LEU 109 9.528 15.898 -4.409 830 1HB LEU 62 HB2 LEU 109 7.465 17.926 -5.297 831 2HB LEU 62 HB1 LEU 109 7.666 17.426 -3.622 832 HG LEU 62 HG LEU 109 9.941 18.536 -5.283 833 1HD1 LEU 62 HD11 LEU 109 8.125 20.200 -5.145 834 2HD1 LEU 62 HD13 LEU 109 8.085 20.014 -3.391 835 3HD1 LEU 62 HD12 LEU 109 9.512 20.694 -4.174 836 1HD2 LEU 62 HD22 LEU 109 9.501 17.988 -2.337 837 2HD2 LEU 62 HD21 LEU 109 10.823 17.436 -3.363 838 3HD2 LEU 62 HD23 LEU 109 10.730 19.126 -2.883 839 H LYS 63 HN LYS 110 6.966 15.618 -6.790 840 HA LYS 63 HA LYS 110 5.055 14.253 -5.162 841 1HB LYS 63 HB2 LYS 110 5.577 14.002 -8.142 842 2HB LYS 63 HB1 LYS 110 4.107 13.493 -7.316 843 1HG LYS 63 HG2 LYS 110 5.170 16.330 -7.425 844 2HG LYS 63 HG1 LYS 110 3.825 15.706 -8.375 845 1HD LYS 63 HD2 LYS 110 2.823 15.069 -6.022 846 2HD LYS 63 HD1 LYS 110 3.961 16.268 -5.414 847 1HE LYS 63 HE2 LYS 110 3.001 17.972 -6.870 848 2HE LYS 63 HE1 LYS 110 1.923 16.785 -7.599 849 1HZ LYS 63 HZ1 LYS 110 1.888 17.245 -4.685 850 2HZ LYS 63 HZ3 LYS 110 1.038 18.278 -5.730 851 3HZ LYS 63 HZ2 LYS 110 0.665 16.621 -5.687 852 H ILE 64 HN ILE 111 8.051 13.235 -6.553 853 HA ILE 64 HA ILE 111 7.513 10.398 -5.700 854 HB ILE 64 HB ILE 111 9.052 11.378 -8.130 855 1HG1 ILE 64 HG12 ILE 111 6.642 11.350 -8.528 856 2HG1 ILE 64 HG11 ILE 111 7.402 10.021 -9.394 857 1HG2 ILE 64 HG23 ILE 111 8.807 8.653 -6.868 858 2HG2 ILE 64 HG22 ILE 111 9.215 8.856 -8.572 859 3HG2 ILE 64 HG21 ILE 111 10.272 9.519 -7.326 860 1HD1 ILE 64 HD11 ILE 111 6.826 8.692 -7.139 861 2HD1 ILE 64 HD13 ILE 111 5.588 9.938 -7.019 862 3HD1 ILE 64 HD12 ILE 111 5.644 8.879 -8.426 863 H CYS 65 HN CYS 112 9.207 9.439 -4.507 864 HA CYS 65 HA CYS 112 11.551 11.171 -3.872 865 1HB CYS 65 HB2 CYS 112 10.714 8.583 -2.526 866 2HB CYS 65 HB1 CYS 112 11.947 9.700 -1.966 867 H SER 66 HN SER 113 13.478 10.666 -4.870 868 HA SER 66 HA SER 113 13.598 8.356 -6.645 869 1HB SER 66 HB2 SER 113 15.723 10.364 -5.854 870 2HB SER 66 HB1 SER 113 15.902 9.160 -7.125 871 HG SER 66 HG SER 113 15.167 11.315 -7.781 872 H TRP 67 HN TRP 114 14.884 6.518 -6.458 873 HA TRP 67 HA TRP 114 15.554 5.644 -3.753 874 1HB TRP 67 HB2 TRP 114 15.903 4.349 -6.481 875 2HB TRP 67 HB1 TRP 114 16.366 3.565 -4.968 876 HD1 TRP 67 HD1 TRP 114 13.242 5.492 -6.190 877 HE1 TRP 67 HE1 TRP 114 11.151 4.223 -5.418 878 HE3 TRP 67 HE3 TRP 114 15.400 1.523 -3.797 879 HZ2 TRP 67 HZ2 TRP 114 10.481 1.885 -3.960 880 HZ3 TRP 67 HZ3 TRP 114 14.002 -0.210 -2.733 881 HH2 TRP 67 HH2 TRP 114 11.542 -0.037 -2.832 882 H ASN 68 HN ASN 115 17.172 7.414 -6.172 883 HA ASN 68 HA ASN 115 19.845 6.550 -6.026 884 1HB ASN 68 HB2 ASN 115 18.729 9.380 -6.125 885 2HB ASN 68 HB1 ASN 115 20.440 8.996 -6.334 886 1HD2 ASN 68 HD22 ASN 115 18.613 6.920 -9.230 887 2HD2 ASN 68 HD21 ASN 115 18.623 6.437 -7.603 888 H VAL 69 HN VAL 116 17.826 7.680 -3.512 889 HA VAL 69 HA VAL 116 19.734 8.963 -1.821 890 HB VAL 69 HB VAL 116 18.186 8.270 0.041 891 1HG1 VAL 69 HG12 VAL 116 17.867 10.287 -1.542 892 2HG1 VAL 69 HG11 VAL 116 16.638 9.308 -2.342 893 3HG1 VAL 69 HG13 VAL 116 16.452 9.743 -0.645 894 1HG2 VAL 69 HG23 VAL 116 17.562 6.082 -1.192 895 2HG2 VAL 69 HG22 VAL 116 16.245 6.959 -0.421 896 3HG2 VAL 69 HG21 VAL 116 16.480 7.078 -2.162 897 H ASP 70 HN ASP 117 21.084 8.154 -0.212 898 HA ASP 70 HA ASP 117 22.357 5.663 -0.720 899 1HB ASP 70 HB2 ASP 117 22.332 7.432 1.744 900 2HB ASP 70 HB1 ASP 117 23.375 6.018 1.570 901 H GLY 71 HN GLY 118 19.798 6.577 1.558 902 1HA GLY 71 HA2 GLY 118 18.127 5.119 2.430 903 2HA GLY 71 HA1 GLY 118 19.031 3.741 1.804 No H/Q in entry = 903 Start of MODEL 28 1 1H MET 1 HT1 MET 1 -8.701 -2.798 9.138 2 2H MET 1 HT3 MET 1 -9.452 -2.980 10.650 3 3H MET 1 HT2 MET 1 -9.749 -1.588 9.718 4 HA MET 1 HA MET 1 -8.152 -0.583 10.847 5 1HB MET 1 HB2 MET 1 -6.894 -1.728 12.551 6 2HB MET 1 HB1 MET 1 -8.498 -2.461 12.520 7 1HG MET 1 HG2 MET 1 -7.577 -4.267 11.035 8 2HG MET 1 HG1 MET 1 -5.975 -3.575 11.253 9 1HE MET 1 HE1 MET 1 -9.079 -4.887 12.689 10 2HE MET 1 HE3 MET 1 -8.656 -5.775 14.157 11 3HE MET 1 HE2 MET 1 -8.900 -4.035 14.218 12 H VAL 2 HN VAL 2 -5.594 -0.505 10.939 13 HA VAL 2 HA VAL 2 -4.612 -1.148 8.190 14 HB VAL 2 HB VAL 2 -3.554 0.686 10.375 15 1HG1 VAL 2 HG12 VAL 2 -2.496 0.205 7.565 16 2HG1 VAL 2 HG11 VAL 2 -1.936 1.465 8.659 17 3HG1 VAL 2 HG13 VAL 2 -1.667 -0.229 9.060 18 1HG2 VAL 2 HG23 VAL 2 -4.827 1.196 7.666 19 2HG2 VAL 2 HG22 VAL 2 -5.551 1.535 9.238 20 3HG2 VAL 2 HG21 VAL 2 -4.139 2.446 8.702 21 H LYS 3 HN LYS 3 -2.508 -2.183 7.927 22 HA LYS 3 HA LYS 3 -1.464 -3.636 10.333 23 1HB LYS 3 HB2 LYS 3 -2.882 -5.116 8.862 24 2HB LYS 3 HB1 LYS 3 -1.775 -4.775 7.537 25 1HG LYS 3 HG2 LYS 3 -0.927 -6.797 8.365 26 2HG LYS 3 HG1 LYS 3 0.082 -5.613 9.193 27 1HD LYS 3 HD2 LYS 3 -1.383 -5.744 11.177 28 2HD LYS 3 HD1 LYS 3 -2.416 -6.896 10.339 29 1HE LYS 3 HE2 LYS 3 0.531 -7.361 10.859 30 2HE LYS 3 HE1 LYS 3 -0.758 -7.947 11.911 31 1HZ LYS 3 HZ1 LYS 3 -1.722 -9.049 9.928 32 2HZ LYS 3 HZ3 LYS 3 -0.328 -8.633 9.061 33 3HZ LYS 3 HZ2 LYS 3 -0.215 -9.672 10.395 34 H GLN 4 HN GLN 4 0.765 -3.369 10.522 35 HA GLN 4 HA GLN 4 2.187 -2.093 8.229 36 1HB GLN 4 HB2 GLN 4 2.438 -1.065 10.480 37 2HB GLN 4 HB1 GLN 4 3.120 -2.580 11.079 38 1HG GLN 4 HG2 GLN 4 4.941 -2.408 9.383 39 2HG GLN 4 HG1 GLN 4 4.281 -0.866 8.854 40 1HE2 GLN 4 HE22 GLN 4 6.611 0.504 11.169 41 2HE2 GLN 4 HE21 GLN 4 6.254 0.266 9.527 42 H ILE 5 HN ILE 5 3.401 -3.367 6.919 43 HA ILE 5 HA ILE 5 4.100 -6.133 7.815 44 HB ILE 5 HB ILE 5 4.278 -4.917 5.059 45 1HG1 ILE 5 HG12 ILE 5 1.965 -4.771 5.756 46 2HG1 ILE 5 HG11 ILE 5 2.118 -6.120 4.633 47 1HG2 ILE 5 HG22 ILE 5 5.595 -6.995 5.545 48 2HG2 ILE 5 HG21 ILE 5 4.069 -7.813 5.893 49 3HG2 ILE 5 HG23 ILE 5 4.383 -7.170 4.284 50 1HD1 ILE 5 HD13 ILE 5 2.478 -7.547 6.812 51 2HD1 ILE 5 HD12 ILE 5 1.706 -6.181 7.610 52 3HD1 ILE 5 HD11 ILE 5 0.846 -7.066 6.352 53 H GLU 6 HN GLU 6 6.144 -6.182 8.723 54 HA GLU 6 HA GLU 6 8.237 -4.331 7.710 55 1HB GLU 6 HB2 GLU 6 8.271 -6.254 10.068 56 2HB GLU 6 HB1 GLU 6 9.513 -5.069 9.677 57 1HG GLU 6 HG2 GLU 6 8.224 -3.956 11.296 58 2HG GLU 6 HG1 GLU 6 7.591 -3.328 9.777 59 H SER 7 HN SER 7 7.105 -7.389 6.954 60 HA SER 7 HA SER 7 9.683 -8.045 5.659 61 1HB SER 7 HB2 SER 7 9.781 -10.319 6.616 62 2HB SER 7 HB1 SER 7 9.930 -9.091 7.874 63 HG SER 7 HG SER 7 8.329 -10.186 8.720 64 H LYS 8 HN LYS 8 9.490 -9.771 4.074 65 HA LYS 8 HA LYS 8 6.983 -9.801 2.652 66 1HB LYS 8 HB2 LYS 8 9.277 -10.276 1.650 67 2HB LYS 8 HB1 LYS 8 9.194 -11.858 2.430 68 1HG LYS 8 HG2 LYS 8 6.943 -12.165 1.254 69 2HG LYS 8 HG1 LYS 8 7.369 -10.746 0.296 70 1HD LYS 8 HD2 LYS 8 9.083 -13.240 0.526 71 2HD LYS 8 HD1 LYS 8 7.996 -12.899 -0.822 72 1HE LYS 8 HE2 LYS 8 9.280 -10.664 -1.031 73 2HE LYS 8 HE1 LYS 8 10.494 -11.421 -0.006 74 1HZ LYS 8 HZ3 LYS 8 9.571 -13.030 -2.230 75 2HZ LYS 8 HZ2 LYS 8 10.442 -11.633 -2.662 76 3HZ LYS 8 HZ1 LYS 8 11.144 -12.792 -1.634 77 H THR 9 HN THR 9 8.467 -11.848 5.076 78 HA THR 9 HA THR 9 6.827 -14.128 4.816 79 HB THR 9 HB THR 9 7.831 -12.929 7.415 80 HG1 THR 9 HG1 THR 9 9.048 -14.385 5.359 81 1HG2 THR 9 HG21 THR 9 7.137 -15.777 6.635 82 2HG2 THR 9 HG23 THR 9 7.835 -15.282 8.179 83 3HG2 THR 9 HG22 THR 9 6.210 -14.750 7.735 84 H ALA 10 HN ALA 10 6.267 -11.167 6.714 85 HA ALA 10 HA ALA 10 3.633 -11.987 7.613 86 1HB ALA 10 HB3 ALA 10 5.022 -9.293 7.471 87 2HB ALA 10 HB2 ALA 10 3.394 -9.494 8.115 88 3HB ALA 10 HB1 ALA 10 4.757 -10.290 8.901 89 H PHE 11 HN PHE 11 4.903 -10.335 4.802 90 HA PHE 11 HA PHE 11 2.509 -9.149 3.845 91 1HB PHE 11 HB2 PHE 11 4.861 -8.886 2.915 92 2HB PHE 11 HB1 PHE 11 4.670 -10.446 2.149 93 HD1 PHE 11 HD1 PHE 11 2.826 -7.200 2.508 94 HD2 PHE 11 HD2 PHE 11 3.862 -10.498 -0.043 95 HE1 PHE 11 HE1 PHE 11 1.664 -6.103 0.616 96 HE2 PHE 11 HE2 PHE 11 2.695 -9.402 -1.935 97 HZ PHE 11 HZ PHE 11 1.599 -7.205 -1.600 98 H GLN 12 HN GLN 12 3.872 -12.388 3.351 99 HA GLN 12 HA GLN 12 1.806 -13.358 1.603 100 1HB GLN 12 HB2 GLN 12 3.600 -14.847 3.560 101 2HB GLN 12 HB1 GLN 12 2.691 -15.590 2.243 102 1HG GLN 12 HG2 GLN 12 4.828 -13.459 1.904 103 2HG GLN 12 HG1 GLN 12 5.057 -15.186 1.613 104 1HE2 GLN 12 HE22 GLN 12 3.509 -12.938 -1.310 105 2HE2 GLN 12 HE21 GLN 12 4.268 -12.294 0.066 106 H GLU 13 HN GLU 13 2.233 -13.521 5.119 107 HA GLU 13 HA GLU 13 -0.129 -15.062 5.663 108 1HB GLU 13 HB2 GLU 13 1.721 -13.307 7.262 109 2HB GLU 13 HB1 GLU 13 0.259 -13.936 8.007 110 1HG GLU 13 HG2 GLU 13 2.228 -15.418 8.391 111 2HG GLU 13 HG1 GLU 13 0.951 -16.234 7.492 112 H ALA 14 HN ALA 14 0.497 -11.578 5.506 113 HA ALA 14 HA ALA 14 -2.068 -10.741 6.460 114 1HB ALA 14 HB2 ALA 14 0.048 -9.312 6.092 115 2HB ALA 14 HB1 ALA 14 -0.436 -9.243 4.400 116 3HB ALA 14 HB3 ALA 14 -1.492 -8.579 5.646 117 H LEU 15 HN LEU 15 -0.823 -11.419 3.198 118 HA LEU 15 HA LEU 15 -3.165 -10.694 1.772 119 1HB LEU 15 HB2 LEU 15 -1.039 -12.768 1.208 120 2HB LEU 15 HB1 LEU 15 -2.310 -12.360 0.060 121 HG LEU 15 HG LEU 15 -0.472 -10.276 1.264 122 1HD1 LEU 15 HD12 LEU 15 -0.095 -12.053 -1.146 123 2HD1 LEU 15 HD11 LEU 15 0.637 -10.452 -1.082 124 3HD1 LEU 15 HD13 LEU 15 1.060 -11.661 0.130 125 1HD2 LEU 15 HD21 LEU 15 -2.486 -10.345 -0.987 126 2HD2 LEU 15 HD23 LEU 15 -2.286 -9.149 0.291 127 3HD2 LEU 15 HD22 LEU 15 -1.147 -9.205 -1.050 128 H ASP 16 HN ASP 16 -2.213 -13.730 3.359 129 HA ASP 16 HA ASP 16 -4.532 -15.183 2.461 130 1HB ASP 16 HB2 ASP 16 -2.409 -16.238 3.358 131 2HB ASP 16 HB1 ASP 16 -2.924 -15.745 4.973 132 H ALA 17 HN ALA 17 -3.834 -13.210 5.319 133 HA ALA 17 HA ALA 17 -6.197 -13.906 6.795 134 1HB ALA 17 HB3 ALA 17 -4.124 -12.722 7.679 135 2HB ALA 17 HB2 ALA 17 -4.750 -11.257 6.923 136 3HB ALA 17 HB1 ALA 17 -5.669 -12.050 8.202 137 H ALA 18 HN ALA 18 -5.515 -11.333 4.456 138 HA ALA 18 HA ALA 18 -7.941 -9.886 4.783 139 1HB ALA 18 HB1 ALA 18 -6.284 -10.325 2.283 140 2HB ALA 18 HB3 ALA 18 -7.549 -9.109 2.451 141 3HB ALA 18 HB2 ALA 18 -6.092 -9.004 3.435 142 H GLY 19 HN GLY 19 -7.166 -12.825 3.021 143 1HA GLY 19 HA2 GLY 19 -8.592 -14.438 2.090 144 2HA GLY 19 HA1 GLY 19 -9.933 -13.624 2.904 145 H ASP 20 HN ASP 20 -11.434 -12.986 1.454 146 HA ASP 20 HA ASP 20 -10.650 -12.394 -1.337 147 1HB ASP 20 HB2 ASP 20 -13.367 -12.653 -0.026 148 2HB ASP 20 HB1 ASP 20 -13.095 -12.393 -1.749 149 H LYS 21 HN LYS 21 -10.701 -10.602 1.375 150 HA LYS 21 HA LYS 21 -12.254 -8.302 0.477 151 1HB LYS 21 HB2 LYS 21 -10.161 -8.632 2.651 152 2HB LYS 21 HB1 LYS 21 -11.040 -7.133 2.362 153 1HG LYS 21 HG2 LYS 21 -13.179 -8.626 2.592 154 2HG LYS 21 HG1 LYS 21 -12.090 -9.774 3.371 155 1HD LYS 21 HD2 LYS 21 -11.332 -7.798 4.843 156 2HD LYS 21 HD1 LYS 21 -12.764 -6.960 4.243 157 1HE LYS 21 HE2 LYS 21 -14.182 -8.816 5.063 158 2HE LYS 21 HE1 LYS 21 -12.743 -9.622 5.687 159 1HZ LYS 21 HZ3 LYS 21 -12.864 -6.918 6.544 160 2HZ LYS 21 HZ2 LYS 21 -14.275 -7.755 6.991 161 3HZ LYS 21 HZ1 LYS 21 -12.751 -8.333 7.471 162 H LEU 22 HN LEU 22 -11.364 -6.300 -0.379 163 HA LEU 22 HA LEU 22 -9.180 -6.608 -2.176 164 1HB LEU 22 HB2 LEU 22 -11.120 -4.682 -1.737 165 2HB LEU 22 HB1 LEU 22 -9.684 -3.859 -1.167 166 HG LEU 22 HG LEU 22 -10.106 -5.048 -3.911 167 1HD1 LEU 22 HD13 LEU 22 -10.457 -2.357 -2.739 168 2HD1 LEU 22 HD12 LEU 22 -9.422 -2.348 -4.160 169 3HD1 LEU 22 HD11 LEU 22 -11.052 -3.013 -4.260 170 1HD2 LEU 22 HD22 LEU 22 -7.646 -3.903 -2.578 171 2HD2 LEU 22 HD21 LEU 22 -7.793 -5.381 -3.532 172 3HD2 LEU 22 HD23 LEU 22 -7.849 -3.812 -4.324 173 H VAL 23 HN VAL 23 -7.008 -5.578 -1.950 174 HA VAL 23 HA VAL 23 -6.158 -4.986 0.830 175 HB VAL 23 HB VAL 23 -4.840 -7.061 -0.949 176 1HG1 VAL 23 HG13 VAL 23 -4.040 -5.747 1.646 177 2HG1 VAL 23 HG12 VAL 23 -3.415 -7.327 1.184 178 3HG1 VAL 23 HG11 VAL 23 -3.094 -5.923 0.169 179 1HG2 VAL 23 HG23 VAL 23 -6.393 -7.235 1.638 180 2HG2 VAL 23 HG22 VAL 23 -6.741 -8.053 0.115 181 3HG2 VAL 23 HG21 VAL 23 -5.339 -8.527 1.071 182 H VAL 24 HN VAL 24 -5.282 -2.992 0.562 183 HA VAL 24 HA VAL 24 -3.802 -2.405 -1.963 184 HB VAL 24 HB VAL 24 -4.580 -0.498 0.261 185 1HG1 VAL 24 HG11 VAL 24 -2.739 0.204 -1.258 186 2HG1 VAL 24 HG13 VAL 24 -3.810 -0.044 -2.636 187 3HG1 VAL 24 HG12 VAL 24 -4.178 1.205 -1.447 188 1HG2 VAL 24 HG22 VAL 24 -6.034 -1.306 -2.262 189 2HG2 VAL 24 HG21 VAL 24 -6.639 -1.364 -0.610 190 3HG2 VAL 24 HG23 VAL 24 -6.381 0.188 -1.402 191 H VAL 25 HN VAL 25 -1.577 -1.796 -1.867 192 HA VAL 25 HA VAL 25 -0.273 -2.034 0.835 193 HB VAL 25 HB VAL 25 0.923 -2.980 -1.780 194 1HG1 VAL 25 HG13 VAL 25 2.446 -2.302 0.125 195 2HG1 VAL 25 HG12 VAL 25 1.709 -3.599 1.068 196 3HG1 VAL 25 HG11 VAL 25 2.614 -3.979 -0.397 197 1HG2 VAL 25 HG22 VAL 25 -1.116 -4.297 -1.047 198 2HG2 VAL 25 HG21 VAL 25 0.373 -5.235 -1.126 199 3HG2 VAL 25 HG23 VAL 25 -0.245 -4.687 0.432 200 H ASP 26 HN ASP 26 0.734 -0.167 1.361 201 HA ASP 26 HA ASP 26 1.496 1.743 -0.813 202 1HB ASP 26 HB2 ASP 26 0.099 2.593 1.043 203 2HB ASP 26 HB1 ASP 26 1.349 2.139 2.195 204 H PHE 27 HN PHE 27 3.575 1.729 -1.451 205 HA PHE 27 HA PHE 27 5.689 0.573 0.299 206 1HB PHE 27 HB2 PHE 27 5.517 1.218 -2.647 207 2HB PHE 27 HB1 PHE 27 7.067 0.875 -1.873 208 HD1 PHE 27 HD1 PHE 27 7.401 -1.319 -0.694 209 HD2 PHE 27 HD2 PHE 27 3.982 -0.534 -3.175 210 HE1 PHE 27 HE1 PHE 27 6.972 -3.755 -0.871 211 HE2 PHE 27 HE2 PHE 27 3.554 -2.970 -3.341 212 HZ PHE 27 HZ PHE 27 5.049 -4.580 -2.197 213 H SER 28 HN SER 28 4.447 3.341 0.580 214 HA SER 28 HA SER 28 6.281 5.316 -0.268 215 1HB SER 28 HB2 SER 28 4.658 5.247 2.283 216 2HB SER 28 HB1 SER 28 5.390 6.679 1.581 217 HG SER 28 HG SER 28 3.058 6.064 1.086 218 H ALA 29 HN ALA 29 8.065 6.269 0.690 219 HA ALA 29 HA ALA 29 9.624 4.538 2.494 220 1HB ALA 29 HB2 ALA 29 10.166 7.040 0.898 221 2HB ALA 29 HB1 ALA 29 11.265 6.596 2.205 222 3HB ALA 29 HB3 ALA 29 11.012 5.498 0.846 223 H THR 30 HN THR 30 9.585 4.833 4.686 224 HA THR 30 HA THR 30 7.966 6.913 5.845 225 HB THR 30 HB THR 30 8.346 4.757 6.994 226 HG1 THR 30 HG1 THR 30 9.304 5.896 9.003 227 1HG2 THR 30 HG22 THR 30 10.819 4.711 6.192 228 2HG2 THR 30 HG21 THR 30 11.140 5.675 7.633 229 3HG2 THR 30 HG23 THR 30 10.444 4.064 7.789 230 H TRP 31 HN TRP 31 11.431 6.545 5.194 231 HA TRP 31 HA TRP 31 12.231 8.887 6.716 232 1HB TRP 31 HB2 TRP 31 14.344 8.735 5.490 233 2HB TRP 31 HB1 TRP 31 13.847 7.138 6.049 234 HD1 TRP 31 HD1 TRP 31 13.372 5.343 4.290 235 HE1 TRP 31 HE1 TRP 31 13.534 5.226 1.722 236 HE3 TRP 31 HE3 TRP 31 13.935 10.295 3.241 237 HZ2 TRP 31 HZ2 TRP 31 13.828 7.011 -0.483 238 HZ3 TRP 31 HZ3 TRP 31 14.132 11.064 0.896 239 HH2 TRP 31 HH2 TRP 31 14.082 9.429 -0.966 240 H CYS 32 HN CYS 32 10.853 8.456 3.525 241 HA CYS 32 HA CYS 32 11.714 11.119 2.628 242 1HB CYS 32 HB2 CYS 32 11.253 9.080 1.116 243 2HB CYS 32 HB1 CYS 32 9.543 9.405 1.379 244 H GLY 33 HN GLY 33 10.750 12.918 3.352 245 1HA GLY 33 HA2 GLY 33 8.462 12.877 5.053 246 2HA GLY 33 HA1 GLY 33 9.165 14.327 4.344 247 HA PRO 34 HA PRO 34 6.089 14.786 1.192 248 1HB PRO 34 HB2 PRO 34 7.534 13.246 -0.914 249 2HB PRO 34 HB1 PRO 34 6.943 14.915 -0.953 250 1HG PRO 34 HG2 PRO 34 9.587 14.298 -0.704 251 2HG PRO 34 HG1 PRO 34 8.878 15.758 0.001 252 1HD PRO 34 HD2 PRO 34 9.816 13.295 1.364 253 2HD PRO 34 HD1 PRO 34 9.633 14.935 2.024 254 H ALA 35 HN ALA 35 7.416 11.477 1.160 255 HA ALA 35 HA ALA 35 4.924 10.298 0.203 256 1HB ALA 35 HB2 ALA 35 7.454 9.438 0.106 257 2HB ALA 35 HB1 ALA 35 6.998 8.654 1.617 258 3HB ALA 35 HB3 ALA 35 6.107 8.306 0.134 259 H LYS 36 HN LYS 36 6.596 10.373 3.376 260 HA LYS 36 HA LYS 36 4.594 8.965 4.847 261 1HB LYS 36 HB2 LYS 36 6.908 9.495 5.673 262 2HB LYS 36 HB1 LYS 36 6.406 11.175 5.872 263 1HG LYS 36 HG2 LYS 36 4.572 10.379 7.395 264 2HG LYS 36 HG1 LYS 36 5.249 8.754 7.284 265 1HD LYS 36 HD2 LYS 36 7.403 9.601 8.175 266 2HD LYS 36 HD1 LYS 36 6.699 11.216 8.314 267 1HE LYS 36 HE2 LYS 36 5.026 10.383 9.891 268 2HE LYS 36 HE1 LYS 36 5.635 8.738 9.705 269 1HZ LYS 36 HZ1 LYS 36 7.860 10.114 10.339 270 2HZ LYS 36 HZ3 LYS 36 6.688 10.928 11.257 271 3HZ LYS 36 HZ2 LYS 36 6.906 9.253 11.450 272 H MET 37 HN MET 37 4.926 12.337 3.947 273 HA MET 37 HA MET 37 2.926 13.477 5.598 274 1HB MET 37 HB2 MET 37 4.587 14.715 4.181 275 2HB MET 37 HB1 MET 37 3.632 14.284 2.769 276 1HG MET 37 HG2 MET 37 2.392 15.709 5.124 277 2HG MET 37 HG1 MET 37 3.195 16.597 3.833 278 1HE MET 37 HE3 MET 37 2.795 15.899 1.320 279 2HE MET 37 HE2 MET 37 1.155 16.203 0.754 280 3HE MET 37 HE1 MET 37 1.971 17.403 1.757 281 H ILE 38 HN ILE 38 2.687 11.619 2.649 282 HA ILE 38 HA ILE 38 -0.129 12.285 2.211 283 HB ILE 38 HB ILE 38 1.631 10.175 0.917 284 1HG1 ILE 38 HG12 ILE 38 0.784 12.865 -0.195 285 2HG1 ILE 38 HG11 ILE 38 2.280 12.666 0.719 286 1HG2 ILE 38 HG23 ILE 38 -1.175 11.159 0.396 287 2HG2 ILE 38 HG22 ILE 38 -0.189 10.567 -0.939 288 3HG2 ILE 38 HG21 ILE 38 -0.564 9.505 0.412 289 1HD1 ILE 38 HD13 ILE 38 2.858 10.796 -0.913 290 2HD1 ILE 38 HD12 ILE 38 1.519 11.371 -1.898 291 3HD1 ILE 38 HD11 ILE 38 2.893 12.431 -1.559 292 H LYS 39 HN LYS 39 1.347 10.353 4.469 293 HA LYS 39 HA LYS 39 -0.157 7.961 4.233 294 1HB LYS 39 HB2 LYS 39 0.535 7.338 6.377 295 2HB LYS 39 HB1 LYS 39 1.853 8.312 5.755 296 1HG LYS 39 HG2 LYS 39 1.292 10.155 7.151 297 2HG LYS 39 HG1 LYS 39 -0.302 9.514 7.532 298 1HD LYS 39 HD2 LYS 39 2.312 8.225 8.335 299 2HD LYS 39 HD1 LYS 39 1.333 9.247 9.384 300 1HE LYS 39 HE2 LYS 39 0.444 7.228 10.029 301 2HE LYS 39 HE1 LYS 39 -0.564 7.459 8.599 302 1HZ LYS 39 HZ1 LYS 39 1.565 6.348 7.491 303 2HZ LYS 39 HZ3 LYS 39 1.669 5.643 9.032 304 3HZ LYS 39 HZ2 LYS 39 0.262 5.440 8.099 305 HA PRO 40 HA PRO 40 -3.370 10.066 7.240 306 1HB PRO 40 HB2 PRO 40 -3.814 12.578 5.713 307 2HB PRO 40 HB1 PRO 40 -3.711 12.330 7.466 308 1HG PRO 40 HG2 PRO 40 -1.742 13.562 6.101 309 2HG PRO 40 HG1 PRO 40 -1.393 12.515 7.486 310 1HD PRO 40 HD2 PRO 40 -1.106 11.938 4.569 311 2HD PRO 40 HD1 PRO 40 -0.055 11.422 5.910 312 H PHE 41 HN PHE 41 -3.495 10.880 3.718 313 HA PHE 41 HA PHE 41 -6.324 10.305 3.499 314 1HB PHE 41 HB2 PHE 41 -4.070 10.271 1.466 315 2HB PHE 41 HB1 PHE 41 -5.761 10.026 1.054 316 HD1 PHE 41 HD2 PHE 41 -3.427 12.423 2.672 317 HD2 PHE 41 HD1 PHE 41 -7.197 11.866 0.693 318 HE1 PHE 41 HE2 PHE 41 -3.735 14.882 2.576 319 HE2 PHE 41 HE1 PHE 41 -7.507 14.329 0.595 320 HZ PHE 41 HZ PHE 41 -5.773 15.834 1.534 321 H PHE 42 HN PHE 42 -3.392 8.428 2.779 322 HA PHE 42 HA PHE 42 -4.665 6.011 1.974 323 1HB PHE 42 HB2 PHE 42 -2.287 6.482 1.598 324 2HB PHE 42 HB1 PHE 42 -1.989 6.468 3.337 325 HD1 PHE 42 HD1 PHE 42 -3.138 4.367 0.488 326 HD2 PHE 42 HD2 PHE 42 -1.622 4.431 4.506 327 HE1 PHE 42 HE1 PHE 42 -2.842 1.908 0.414 328 HE2 PHE 42 HE2 PHE 42 -1.322 1.970 4.433 329 HZ PHE 42 HZ PHE 42 -1.934 0.706 2.386 330 H HIS 43 HN HIS 43 -3.364 6.958 5.131 331 HA HIS 43 HA HIS 43 -4.287 4.616 6.508 332 1HB HIS 43 HB2 HIS 43 -2.413 5.969 7.306 333 2HB HIS 43 HB1 HIS 43 -3.482 7.355 7.535 334 HD1 HIS 43 HD1 HIS 43 -2.426 4.155 9.092 335 HD2 HIS 43 HD2 HIS 43 -5.346 7.055 9.693 336 HE1 HIS 43 HE1 HIS 43 -3.434 3.692 11.371 337 H SER 44 HN SER 44 -5.601 7.935 6.261 338 HA SER 44 HA SER 44 -7.784 7.558 8.040 339 1HB SER 44 HB2 SER 44 -7.630 9.409 5.644 340 2HB SER 44 HB1 SER 44 -8.832 9.500 6.919 341 HG SER 44 HG SER 44 -7.421 10.480 8.115 342 H LEU 45 HN LEU 45 -7.520 6.969 4.548 343 HA LEU 45 HA LEU 45 -10.255 6.409 4.049 344 1HB LEU 45 HB2 LEU 45 -7.750 5.339 2.746 345 2HB LEU 45 HB1 LEU 45 -9.360 4.969 2.152 346 HG LEU 45 HG LEU 45 -8.528 7.842 2.591 347 1HD1 LEU 45 HD11 LEU 45 -8.059 6.170 0.099 348 2HD1 LEU 45 HD13 LEU 45 -7.851 7.920 0.203 349 3HD1 LEU 45 HD12 LEU 45 -6.803 6.845 1.132 350 1HD2 LEU 45 HD21 LEU 45 -10.575 6.430 0.862 351 2HD2 LEU 45 HD23 LEU 45 -10.868 7.584 2.163 352 3HD2 LEU 45 HD22 LEU 45 -10.151 8.125 0.649 353 H SER 46 HN SER 46 -7.837 4.485 5.679 354 HA SER 46 HA SER 46 -8.881 1.911 5.305 355 1HB SER 46 HB2 SER 46 -7.775 3.128 7.848 356 2HB SER 46 HB1 SER 46 -7.994 1.405 7.571 357 HG SER 46 HG SER 46 -6.730 2.148 5.486 358 H GLU 47 HN GLU 47 -10.059 4.521 7.376 359 HA GLU 47 HA GLU 47 -12.211 2.809 8.446 360 1HB GLU 47 HB2 GLU 47 -11.505 5.743 8.772 361 2HB GLU 47 HB1 GLU 47 -12.917 5.005 9.520 362 1HG GLU 47 HG2 GLU 47 -11.185 4.944 11.165 363 2HG GLU 47 HG1 GLU 47 -11.331 3.300 10.551 364 H LYS 48 HN LYS 48 -11.686 4.794 5.676 365 HA LYS 48 HA LYS 48 -14.522 5.463 5.306 366 1HB LYS 48 HB2 LYS 48 -12.674 6.890 4.339 367 2HB LYS 48 HB1 LYS 48 -12.307 5.560 3.237 368 1HG LYS 48 HG2 LYS 48 -14.637 5.614 2.407 369 2HG LYS 48 HG1 LYS 48 -14.973 6.982 3.463 370 1HD LYS 48 HD2 LYS 48 -13.212 8.285 2.316 371 2HD LYS 48 HD1 LYS 48 -12.917 6.918 1.243 372 1HE LYS 48 HE2 LYS 48 -15.169 7.053 0.360 373 2HE LYS 48 HE1 LYS 48 -15.593 8.310 1.524 374 1HZ LYS 48 HZ3 LYS 48 -13.368 9.293 0.358 375 2HZ LYS 48 HZ2 LYS 48 -14.131 8.510 -0.945 376 3HZ LYS 48 HZ1 LYS 48 -14.956 9.712 -0.071 377 H TYR 49 HN TYR 49 -12.190 3.041 4.314 378 HA TYR 49 HA TYR 49 -14.438 1.413 3.140 379 1HB TYR 49 HB2 TYR 49 -11.540 1.570 2.225 380 2HB TYR 49 HB1 TYR 49 -12.719 0.398 1.629 381 HD1 TYR 49 HD2 TYR 49 -14.947 1.354 0.666 382 HD2 TYR 49 HD1 TYR 49 -11.370 3.673 1.189 383 HE1 TYR 49 HE2 TYR 49 -15.790 3.021 -0.964 384 HE2 TYR 49 HE1 TYR 49 -12.211 5.338 -0.440 385 HH TYR 49 HH TYR 49 -15.290 5.643 -1.333 386 H SER 50 HN SER 50 -14.304 1.023 5.629 387 HA SER 50 HA SER 50 -12.182 -0.486 6.762 388 1HB SER 50 HB2 SER 50 -13.738 -0.980 8.521 389 2HB SER 50 HB1 SER 50 -14.109 0.638 7.960 390 HG SER 50 HG SER 50 -15.763 -1.349 8.106 391 H ASN 51 HN ASN 51 -14.338 -1.302 4.303 392 HA ASN 51 HA ASN 51 -14.313 -4.206 4.891 393 1HB ASN 51 HB2 ASN 51 -16.341 -3.022 3.929 394 2HB ASN 51 HB1 ASN 51 -15.411 -2.804 2.446 395 1HD2 ASN 51 HD22 ASN 51 -16.026 -6.076 1.333 396 2HD2 ASN 51 HD21 ASN 51 -15.487 -4.505 0.971 397 H VAL 52 HN VAL 52 -12.108 -2.181 3.933 398 HA VAL 52 HA VAL 52 -10.860 -4.054 1.974 399 HB VAL 52 HB VAL 52 -10.865 -1.018 1.966 400 1HG1 VAL 52 HG13 VAL 52 -8.911 -2.969 0.800 401 2HG1 VAL 52 HG12 VAL 52 -9.364 -1.580 -0.192 402 3HG1 VAL 52 HG11 VAL 52 -8.642 -1.334 1.396 403 1HG2 VAL 52 HG23 VAL 52 -11.736 -3.151 0.003 404 2HG2 VAL 52 HG22 VAL 52 -12.748 -1.944 0.795 405 3HG2 VAL 52 HG21 VAL 52 -11.580 -1.447 -0.427 406 H ILE 53 HN ILE 53 -8.676 -4.503 2.459 407 HA ILE 53 HA ILE 53 -7.796 -3.552 5.161 408 HB ILE 53 HB ILE 53 -6.586 -5.731 3.435 409 1HG1 ILE 53 HG12 ILE 53 -8.887 -6.377 3.803 410 2HG1 ILE 53 HG11 ILE 53 -7.892 -7.300 4.923 411 1HG2 ILE 53 HG21 ILE 53 -5.365 -4.652 5.472 412 2HG2 ILE 53 HG23 ILE 53 -6.527 -5.545 6.446 413 3HG2 ILE 53 HG22 ILE 53 -5.434 -6.405 5.364 414 1HD1 ILE 53 HD13 ILE 53 -8.372 -5.424 6.625 415 2HD1 ILE 53 HD12 ILE 53 -9.650 -4.923 5.520 416 3HD1 ILE 53 HD11 ILE 53 -9.695 -6.530 6.245 417 H PHE 54 HN PHE 54 -6.353 -1.875 5.188 418 HA PHE 54 HA PHE 54 -4.680 -1.345 2.772 419 1HB PHE 54 HB2 PHE 54 -5.278 0.311 5.242 420 2HB PHE 54 HB1 PHE 54 -4.181 0.819 3.964 421 HD1 PHE 54 HD1 PHE 54 -7.709 -0.383 4.476 422 HD2 PHE 54 HD2 PHE 54 -5.023 2.031 2.145 423 HE1 PHE 54 HE1 PHE 54 -9.630 0.533 3.198 424 HE2 PHE 54 HE2 PHE 54 -6.946 2.930 0.864 425 HZ PHE 54 HZ PHE 54 -9.245 2.180 1.391 426 H LEU 55 HN LEU 55 -2.564 -1.971 2.791 427 HA LEU 55 HA LEU 55 -1.222 -2.524 5.420 428 1HB LEU 55 HB2 LEU 55 -0.686 -3.607 2.637 429 2HB LEU 55 HB1 LEU 55 0.469 -3.786 3.956 430 HG LEU 55 HG LEU 55 -1.093 -5.099 5.233 431 1HD1 LEU 55 HD12 LEU 55 -3.072 -4.211 3.142 432 2HD1 LEU 55 HD11 LEU 55 -3.340 -5.687 4.072 433 3HD1 LEU 55 HD13 LEU 55 -3.197 -4.144 4.902 434 1HD2 LEU 55 HD21 LEU 55 0.176 -6.146 3.299 435 2HD2 LEU 55 HD23 LEU 55 -1.254 -7.031 3.828 436 3HD2 LEU 55 HD22 LEU 55 -1.315 -6.042 2.368 437 H GLU 56 HN GLU 56 0.699 -1.506 5.869 438 HA GLU 56 HA GLU 56 1.633 0.574 3.921 439 1HB GLU 56 HB2 GLU 56 0.811 1.400 6.163 440 2HB GLU 56 HB1 GLU 56 2.110 0.470 6.916 441 1HG GLU 56 HG2 GLU 56 3.755 1.728 5.490 442 2HG GLU 56 HG1 GLU 56 2.423 2.738 4.929 443 H VAL 57 HN VAL 57 3.694 0.295 3.146 444 HA VAL 57 HA VAL 57 5.425 -1.777 4.466 445 HB VAL 57 HB VAL 57 5.077 -1.302 1.493 446 1HG1 VAL 57 HG12 VAL 57 6.609 -3.354 3.102 447 2HG1 VAL 57 HG11 VAL 57 6.301 -3.492 1.374 448 3HG1 VAL 57 HG13 VAL 57 7.286 -2.164 1.987 449 1HG2 VAL 57 HG22 VAL 57 3.997 -3.397 3.377 450 2HG2 VAL 57 HG21 VAL 57 3.074 -2.287 2.372 451 3HG2 VAL 57 HG23 VAL 57 4.004 -3.587 1.626 452 H ASP 58 HN ASP 58 7.483 -1.130 4.855 453 HA ASP 58 HA ASP 58 8.367 1.562 3.931 454 1HB ASP 58 HB2 ASP 58 8.487 0.837 6.359 455 2HB ASP 58 HB1 ASP 58 9.710 -0.336 5.856 456 H VAL 59 HN VAL 59 9.650 1.609 2.091 457 HA VAL 59 HA VAL 59 10.769 -0.828 0.971 458 HB VAL 59 HB VAL 59 11.964 0.699 -0.578 459 1HG1 VAL 59 HG11 VAL 59 9.079 1.369 0.040 460 2HG1 VAL 59 HG13 VAL 59 9.911 1.915 -1.416 461 3HG1 VAL 59 HG12 VAL 59 9.682 0.190 -1.126 462 1HG2 VAL 59 HG23 VAL 59 10.953 2.815 1.343 463 2HG2 VAL 59 HG22 VAL 59 12.624 2.491 0.875 464 3HG2 VAL 59 HG21 VAL 59 11.501 3.185 -0.295 465 H ASP 60 HN ASP 60 11.774 1.336 3.462 466 HA ASP 60 HA ASP 60 14.638 0.622 3.160 467 1HB ASP 60 HB2 ASP 60 13.050 2.475 4.920 468 2HB ASP 60 HB1 ASP 60 14.716 2.089 5.305 469 H ASP 61 HN ASP 61 12.018 0.059 5.545 470 HA ASP 61 HA ASP 61 13.812 -1.814 7.029 471 1HB ASP 61 HB2 ASP 61 11.020 -0.790 7.655 472 2HB ASP 61 HB1 ASP 61 11.970 -1.851 8.695 473 H ALA 62 HN ALA 62 11.145 -1.704 4.846 474 HA ALA 62 HA ALA 62 10.777 -4.670 5.059 475 1HB ALA 62 HB2 ALA 62 8.779 -2.956 5.433 476 2HB ALA 62 HB1 ALA 62 8.784 -2.886 3.671 477 3HB ALA 62 HB3 ALA 62 8.521 -4.425 4.492 478 H GLN 63 HN GLN 63 12.896 -3.352 3.737 479 HA GLN 63 HA GLN 63 12.482 -2.903 0.977 480 1HB GLN 63 HB2 GLN 63 14.881 -3.112 0.766 481 2HB GLN 63 HB1 GLN 63 14.543 -2.324 2.300 482 1HG GLN 63 HG2 GLN 63 15.129 -5.279 1.976 483 2HG GLN 63 HG1 GLN 63 16.276 -4.068 2.521 484 1HE2 GLN 63 HE22 GLN 63 14.986 -3.930 5.817 485 2HE2 GLN 63 HE21 GLN 63 16.105 -3.294 4.711 486 H ASP 64 HN ASP 64 12.516 -5.861 2.771 487 HA ASP 64 HA ASP 64 13.286 -7.593 0.618 488 1HB ASP 64 HB2 ASP 64 12.077 -9.352 1.991 489 2HB ASP 64 HB1 ASP 64 13.338 -8.469 2.851 490 H VAL 65 HN VAL 65 10.185 -6.256 1.677 491 HA VAL 65 HA VAL 65 8.604 -7.802 -0.185 492 HB VAL 65 HB VAL 65 7.919 -5.102 1.020 493 1HG1 VAL 65 HG13 VAL 65 6.455 -6.079 -0.801 494 2HG1 VAL 65 HG12 VAL 65 6.128 -7.434 0.279 495 3HG1 VAL 65 HG11 VAL 65 5.630 -5.805 0.733 496 1HG2 VAL 65 HG21 VAL 65 8.014 -7.840 2.248 497 2HG2 VAL 65 HG23 VAL 65 8.427 -6.287 2.958 498 3HG2 VAL 65 HG22 VAL 65 6.738 -6.740 2.750 499 H ALA 66 HN ALA 66 9.952 -4.515 -0.166 500 HA ALA 66 HA ALA 66 8.845 -3.800 -2.717 501 1HB ALA 66 HB1 ALA 66 9.754 -2.282 -0.796 502 2HB ALA 66 HB3 ALA 66 11.310 -2.491 -1.597 503 3HB ALA 66 HB2 ALA 66 9.959 -1.767 -2.469 504 H SER 67 HN SER 67 12.044 -5.103 -1.762 505 HA SER 67 HA SER 67 13.218 -4.807 -4.353 506 1HB SER 67 HB2 SER 67 14.818 -6.524 -3.655 507 2HB SER 67 HB1 SER 67 14.521 -5.414 -2.319 508 HG SER 67 HG SER 67 13.147 -7.868 -2.703 509 H GLU 68 HN GLU 68 11.109 -7.275 -2.982 510 HA GLU 68 HA GLU 68 11.301 -9.186 -5.100 511 1HB GLU 68 HB2 GLU 68 10.230 -9.600 -2.874 512 2HB GLU 68 HB1 GLU 68 8.890 -8.567 -3.360 513 1HG GLU 68 HG2 GLU 68 8.535 -10.095 -5.339 514 2HG GLU 68 HG1 GLU 68 9.748 -11.173 -4.650 515 H ALA 69 HN ALA 69 9.240 -6.321 -4.655 516 HA ALA 69 HA ALA 69 7.845 -6.797 -7.195 517 1HB ALA 69 HB1 ALA 69 7.737 -4.527 -5.198 518 2HB ALA 69 HB3 ALA 69 6.749 -4.597 -6.657 519 3HB ALA 69 HB2 ALA 69 6.553 -5.819 -5.400 520 H GLU 70 HN GLU 70 10.851 -5.550 -6.446 521 HA GLU 70 HA GLU 70 12.348 -4.177 -7.634 522 1HB GLU 70 HB2 GLU 70 10.419 -4.768 -9.899 523 2HB GLU 70 HB1 GLU 70 11.996 -4.021 -10.092 524 1HG GLU 70 HG2 GLU 70 11.517 -6.758 -8.908 525 2HG GLU 70 HG1 GLU 70 12.027 -6.444 -10.566 526 H VAL 71 HN VAL 71 10.580 -2.721 -6.109 527 HA VAL 71 HA VAL 71 9.004 -0.870 -7.601 528 HB VAL 71 HB VAL 71 10.449 -0.304 -4.998 529 1HG1 VAL 71 HG12 VAL 71 7.945 0.791 -6.317 530 2HG1 VAL 71 HG11 VAL 71 8.404 1.140 -4.654 531 3HG1 VAL 71 HG13 VAL 71 9.440 1.667 -5.985 532 1HG2 VAL 71 HG21 VAL 71 7.822 -1.728 -5.552 533 2HG2 VAL 71 HG23 VAL 71 9.238 -2.393 -4.741 534 3HG2 VAL 71 HG22 VAL 71 8.291 -1.126 -3.964 535 H LYS 72 HN LYS 72 9.595 0.861 -8.796 536 HA LYS 72 HA LYS 72 12.488 1.525 -8.940 537 1HB LYS 72 HB2 LYS 72 10.202 2.149 -10.828 538 2HB LYS 72 HB1 LYS 72 11.900 2.515 -11.121 539 1HG LYS 72 HG2 LYS 72 10.998 -0.320 -10.538 540 2HG LYS 72 HG1 LYS 72 10.939 0.341 -12.172 541 1HD LYS 72 HD2 LYS 72 13.385 0.914 -11.947 542 2HD LYS 72 HD1 LYS 72 13.388 0.027 -10.421 543 1HE LYS 72 HE2 LYS 72 12.608 -1.997 -11.576 544 2HE LYS 72 HE1 LYS 72 12.581 -1.119 -13.106 545 1HZ LYS 72 HZ1 LYS 72 15.051 -0.617 -12.375 546 2HZ LYS 72 HZ3 LYS 72 14.855 -2.088 -11.555 547 3HZ LYS 72 HZ2 LYS 72 14.636 -2.019 -13.240 548 H ALA 73 HN ALA 73 9.540 2.753 -7.690 549 HA ALA 73 HA ALA 73 10.887 5.207 -6.888 550 1HB ALA 73 HB3 ALA 73 9.072 5.200 -9.225 551 2HB ALA 73 HB2 ALA 73 8.782 6.489 -8.056 552 3HB ALA 73 HB1 ALA 73 10.368 6.324 -8.812 553 H THR 74 HN THR 74 9.628 6.456 -5.353 554 HA THR 74 HA THR 74 7.168 5.092 -4.324 555 HB THR 74 HB THR 74 7.928 5.446 -2.039 556 HG1 THR 74 HG1 THR 74 9.382 6.857 -1.575 557 1HG2 THR 74 HG23 THR 74 10.097 4.315 -3.793 558 2HG2 THR 74 HG22 THR 74 10.129 4.221 -2.038 559 3HG2 THR 74 HG21 THR 74 8.834 3.433 -2.941 560 HA PRO 75 HA PRO 75 5.798 5.704 -2.507 561 1HB PRO 75 HB2 PRO 75 3.216 6.708 -2.493 562 2HB PRO 75 HB1 PRO 75 4.464 7.119 -1.311 563 1HG PRO 75 HG2 PRO 75 3.385 8.765 -3.524 564 2HG PRO 75 HG1 PRO 75 4.174 9.269 -2.024 565 1HD PRO 75 HD2 PRO 75 5.361 9.191 -4.616 566 2HD PRO 75 HD1 PRO 75 6.208 9.466 -3.066 567 H THR 76 HN THR 76 4.864 3.837 -3.228 568 HA THR 76 HA THR 76 3.412 3.888 -5.851 569 HB THR 76 HB THR 76 5.315 1.730 -4.894 570 HG1 THR 76 HG1 THR 76 5.716 3.990 -6.240 571 1HG2 THR 76 HG23 THR 76 3.490 1.985 -7.281 572 2HG2 THR 76 HG22 THR 76 4.891 0.915 -7.296 573 3HG2 THR 76 HG21 THR 76 3.600 0.658 -6.125 574 H PHE 77 HN PHE 77 1.513 2.836 -5.814 575 HA PHE 77 HA PHE 77 0.776 1.363 -3.305 576 1HB PHE 77 HB2 PHE 77 -1.009 2.765 -5.319 577 2HB PHE 77 HB1 PHE 77 -1.555 1.942 -3.854 578 HD1 PHE 77 HD2 PHE 77 0.200 4.869 -5.209 579 HD2 PHE 77 HD1 PHE 77 -1.135 2.902 -1.629 580 HE1 PHE 77 HE2 PHE 77 0.620 6.944 -3.914 581 HE2 PHE 77 HE1 PHE 77 -0.720 4.979 -0.332 582 HZ PHE 77 HZ PHE 77 0.161 7.000 -1.475 583 H GLN 78 HN GLN 78 0.228 -0.781 -3.513 584 HA GLN 78 HA GLN 78 -0.243 -1.826 -6.289 585 1HB GLN 78 HB2 GLN 78 1.328 -3.094 -4.039 586 2HB GLN 78 HB1 GLN 78 0.807 -3.963 -5.480 587 1HG GLN 78 HG2 GLN 78 1.989 -2.225 -6.860 588 2HG GLN 78 HG1 GLN 78 2.640 -1.551 -5.368 589 1HE2 GLN 78 HE22 GLN 78 5.367 -3.751 -5.805 590 2HE2 GLN 78 HE21 GLN 78 4.845 -2.137 -5.757 591 H PHE 79 HN PHE 79 -1.876 -3.226 -6.527 592 HA PHE 79 HA PHE 79 -3.658 -3.581 -4.143 593 1HB PHE 79 HB2 PHE 79 -4.242 -3.507 -7.111 594 2HB PHE 79 HB1 PHE 79 -5.444 -3.850 -5.864 595 HD1 PHE 79 HD2 PHE 79 -3.102 -1.322 -7.185 596 HD2 PHE 79 HD1 PHE 79 -6.252 -2.125 -4.399 597 HE1 PHE 79 HE2 PHE 79 -3.279 1.096 -6.699 598 HE2 PHE 79 HE1 PHE 79 -6.430 0.294 -3.897 599 HZ PHE 79 HZ PHE 79 -4.949 1.912 -5.050 600 H PHE 80 HN PHE 80 -4.098 -5.533 -3.421 601 HA PHE 80 HA PHE 80 -3.501 -7.905 -5.132 602 1HB PHE 80 HB2 PHE 80 -2.918 -7.513 -2.196 603 2HB PHE 80 HB1 PHE 80 -2.907 -9.092 -2.986 604 HD1 PHE 80 HD2 PHE 80 -1.254 -5.784 -2.799 605 HD2 PHE 80 HD1 PHE 80 -1.208 -9.706 -4.549 606 HE1 PHE 80 HE2 PHE 80 1.057 -5.401 -3.600 607 HE2 PHE 80 HE1 PHE 80 1.100 -9.322 -5.355 608 HZ PHE 80 HZ PHE 80 2.235 -7.169 -4.880 609 H LYS 81 HN LYS 81 -4.962 -9.604 -4.969 610 HA LYS 81 HA LYS 81 -7.167 -9.362 -3.011 611 1HB LYS 81 HB2 LYS 81 -7.698 -8.058 -5.168 612 2HB LYS 81 HB1 LYS 81 -7.733 -9.625 -5.978 613 1HG LYS 81 HG2 LYS 81 -9.449 -10.373 -4.304 614 2HG LYS 81 HG1 LYS 81 -9.478 -8.729 -3.670 615 1HD LYS 81 HD2 LYS 81 -9.974 -7.974 -6.068 616 2HD LYS 81 HD1 LYS 81 -10.289 -9.671 -6.424 617 1HE LYS 81 HE2 LYS 81 -12.015 -9.726 -4.664 618 2HE LYS 81 HE1 LYS 81 -11.699 -8.029 -4.298 619 1HZ LYS 81 HZ1 LYS 81 -12.067 -8.175 -7.030 620 2HZ LYS 81 HZ3 LYS 81 -13.296 -9.136 -6.361 621 3HZ LYS 81 HZ2 LYS 81 -13.134 -7.511 -5.887 622 H LYS 82 HN LYS 82 -7.638 -11.404 -2.299 623 HA LYS 82 HA LYS 82 -7.534 -13.738 -2.108 624 1HB LYS 82 HB2 LYS 82 -7.665 -13.565 -5.147 625 2HB LYS 82 HB1 LYS 82 -7.843 -15.046 -4.215 626 1HG LYS 82 HG2 LYS 82 -9.726 -13.770 -2.955 627 2HG LYS 82 HG1 LYS 82 -9.690 -12.668 -4.328 628 1HD LYS 82 HD2 LYS 82 -9.922 -14.755 -5.806 629 2HD LYS 82 HD1 LYS 82 -10.329 -15.620 -4.326 630 1HE LYS 82 HE2 LYS 82 -12.126 -13.886 -3.915 631 2HE LYS 82 HE1 LYS 82 -11.800 -13.263 -5.534 632 1HZ LYS 82 HZ1 LYS 82 -12.232 -16.134 -5.264 633 2HZ LYS 82 HZ3 LYS 82 -13.590 -15.134 -5.079 634 3HZ LYS 82 HZ2 LYS 82 -12.685 -15.080 -6.517 635 H GLY 83 HN GLY 83 -5.036 -12.132 -2.327 636 1HA GLY 83 HA2 GLY 83 -2.762 -12.723 -2.193 637 2HA GLY 83 HA1 GLY 83 -3.207 -14.371 -2.616 638 H GLN 84 HN GLN 84 -4.374 -11.906 -4.756 639 HA GLN 84 HA GLN 84 -2.141 -12.488 -6.664 640 1HB GLN 84 HB2 GLN 84 -5.104 -12.323 -7.259 641 2HB GLN 84 HB1 GLN 84 -3.842 -12.409 -8.488 642 1HG GLN 84 HG2 GLN 84 -3.060 -14.553 -7.471 643 2HG GLN 84 HG1 GLN 84 -4.434 -14.484 -6.364 644 1HE2 GLN 84 HE22 GLN 84 -6.719 -14.654 -9.341 645 2HE2 GLN 84 HE21 GLN 84 -6.419 -13.479 -8.155 646 H LYS 85 HN LYS 85 -1.382 -10.759 -7.844 647 HA LYS 85 HA LYS 85 -2.150 -8.068 -6.957 648 1HB LYS 85 HB2 LYS 85 0.203 -8.666 -7.419 649 2HB LYS 85 HB1 LYS 85 -0.208 -8.983 -9.103 650 1HG LYS 85 HG2 LYS 85 -0.943 -6.619 -9.343 651 2HG LYS 85 HG1 LYS 85 -0.458 -6.319 -7.675 652 1HD LYS 85 HD2 LYS 85 1.869 -7.111 -8.313 653 2HD LYS 85 HD1 LYS 85 1.330 -7.110 -9.993 654 1HE LYS 85 HE2 LYS 85 0.733 -4.708 -9.774 655 2HE LYS 85 HE1 LYS 85 1.351 -4.723 -8.121 656 1HZ LYS 85 HZ3 LYS 85 3.424 -5.747 -9.458 657 2HZ LYS 85 HZ2 LYS 85 2.789 -4.707 -10.642 658 3HZ LYS 85 HZ1 LYS 85 3.246 -4.092 -9.126 659 H VAL 86 HN VAL 86 -3.606 -6.774 -7.978 660 HA VAL 86 HA VAL 86 -4.456 -7.499 -10.760 661 HB VAL 86 HB VAL 86 -6.725 -6.623 -10.101 662 1HG1 VAL 86 HG11 VAL 86 -6.022 -9.103 -10.084 663 2HG1 VAL 86 HG13 VAL 86 -5.933 -8.940 -8.331 664 3HG1 VAL 86 HG12 VAL 86 -7.462 -8.669 -9.167 665 1HG2 VAL 86 HG21 VAL 86 -5.825 -5.363 -8.101 666 2HG2 VAL 86 HG23 VAL 86 -7.257 -6.337 -7.777 667 3HG2 VAL 86 HG22 VAL 86 -5.669 -6.917 -7.282 668 H GLY 87 HN GLY 87 -2.824 -5.180 -9.043 669 1HA GLY 87 HA2 GLY 87 -3.098 -3.242 -11.141 670 2HA GLY 87 HA1 GLY 87 -4.136 -2.771 -9.803 671 H GLU 88 HN GLU 88 -1.917 -1.291 -10.777 672 HA GLU 88 HA GLU 88 -0.562 -0.754 -8.283 673 1HB GLU 88 HB2 GLU 88 0.847 -2.595 -8.858 674 2HB GLU 88 HB1 GLU 88 1.001 -2.057 -10.522 675 1HG GLU 88 HG2 GLU 88 1.923 -0.318 -8.233 676 2HG GLU 88 HG1 GLU 88 2.963 -1.585 -8.873 677 H PHE 89 HN PHE 89 0.531 1.255 -8.339 678 HA PHE 89 HA PHE 89 1.024 2.594 -10.857 679 1HB PHE 89 HB2 PHE 89 -0.602 4.329 -10.799 680 2HB PHE 89 HB1 PHE 89 -1.486 2.820 -10.619 681 HD1 PHE 89 HD1 PHE 89 -0.051 5.687 -8.758 682 HD2 PHE 89 HD2 PHE 89 -2.839 2.424 -8.662 683 HE1 PHE 89 HE1 PHE 89 -1.039 6.600 -6.675 684 HE2 PHE 89 HE2 PHE 89 -3.828 3.340 -6.571 685 HZ PHE 89 HZ PHE 89 -2.931 5.432 -5.590 686 H SER 90 HN SER 90 1.932 4.778 -10.516 687 HA SER 90 HA SER 90 2.993 5.184 -7.736 688 1HB SER 90 HB2 SER 90 5.087 5.979 -8.754 689 2HB SER 90 HB1 SER 90 4.772 4.296 -9.188 690 HG SER 90 HG SER 90 4.408 4.892 -11.204 691 H GLY 91 HN GLY 91 3.627 7.407 -7.291 692 1HA GLY 91 HA2 GLY 91 3.613 9.775 -8.161 693 2HA GLY 91 HA1 GLY 91 2.053 9.408 -8.900 694 H ALA 92 HN ALA 92 2.979 11.299 -6.628 695 HA ALA 92 HA ALA 92 1.613 10.291 -4.265 696 1HB ALA 92 HB1 ALA 92 2.901 12.880 -5.083 697 2HB ALA 92 HB3 ALA 92 1.906 12.835 -3.629 698 3HB ALA 92 HB2 ALA 92 3.330 11.799 -3.759 699 H ASN 93 HN ASN 93 -0.396 9.861 -5.796 700 HA ASN 93 HA ASN 93 -2.205 12.257 -5.641 701 1HB ASN 93 HB2 ASN 93 -1.758 11.426 -7.982 702 2HB ASN 93 HB1 ASN 93 -2.507 9.900 -7.518 703 1HD2 ASN 93 HD22 ASN 93 -4.838 13.107 -8.335 704 2HD2 ASN 93 HD21 ASN 93 -3.150 13.174 -8.471 705 H LYS 94 HN LYS 94 -3.154 11.895 -3.687 706 HA LYS 94 HA LYS 94 -3.808 9.289 -2.669 707 1HB LYS 94 HB2 LYS 94 -5.152 10.602 -1.017 708 2HB LYS 94 HB1 LYS 94 -3.467 11.081 -1.128 709 1HG LYS 94 HG2 LYS 94 -5.222 12.568 -2.998 710 2HG LYS 94 HG1 LYS 94 -5.665 12.808 -1.320 711 1HD LYS 94 HD2 LYS 94 -3.206 13.338 -0.867 712 2HD LYS 94 HD1 LYS 94 -2.988 13.368 -2.623 713 1HE LYS 94 HE2 LYS 94 -4.802 15.087 -2.763 714 2HE LYS 94 HE1 LYS 94 -4.889 15.095 -1.002 715 1HZ LYS 94 HZ3 LYS 94 -2.330 15.595 -2.401 716 2HZ LYS 94 HZ2 LYS 94 -3.450 16.852 -2.153 717 3HZ LYS 94 HZ1 LYS 94 -2.782 16.031 -0.824 718 H GLU 95 HN GLU 95 -5.662 11.660 -4.551 719 HA GLU 95 HA GLU 95 -8.240 10.488 -4.164 720 1HB GLU 95 HB2 GLU 95 -7.134 12.045 -6.523 721 2HB GLU 95 HB1 GLU 95 -8.838 11.682 -6.270 722 1HG GLU 95 HG2 GLU 95 -7.134 13.187 -4.269 723 2HG GLU 95 HG1 GLU 95 -8.141 13.974 -5.482 724 H LYS 96 HN LYS 96 -5.566 9.702 -6.243 725 HA LYS 96 HA LYS 96 -6.885 8.046 -8.145 726 1HB LYS 96 HB2 LYS 96 -4.522 8.951 -8.184 727 2HB LYS 96 HB1 LYS 96 -4.087 7.678 -7.067 728 1HG LYS 96 HG2 LYS 96 -4.604 5.975 -8.643 729 2HG LYS 96 HG1 LYS 96 -5.431 7.114 -9.708 730 1HD LYS 96 HD2 LYS 96 -3.309 8.296 -10.113 731 2HD LYS 96 HD1 LYS 96 -2.472 7.168 -9.046 732 1HE LYS 96 HE2 LYS 96 -3.017 5.303 -10.515 733 2HE LYS 96 HE1 LYS 96 -3.988 6.356 -11.541 734 1HZ LYS 96 HZ1 LYS 96 -1.155 6.978 -11.030 735 2HZ LYS 96 HZ3 LYS 96 -1.574 5.834 -12.211 736 3HZ LYS 96 HZ2 LYS 96 -2.132 7.435 -12.343 737 H LEU 97 HN LEU 97 -5.658 7.439 -4.901 738 HA LEU 97 HA LEU 97 -5.783 4.596 -4.908 739 1HB LEU 97 HB2 LEU 97 -6.247 6.664 -2.747 740 2HB LEU 97 HB1 LEU 97 -6.330 4.944 -2.401 741 HG LEU 97 HG LEU 97 -3.917 6.226 -3.684 742 1HD1 LEU 97 HD11 LEU 97 -4.532 5.775 -0.753 743 2HD1 LEU 97 HD13 LEU 97 -2.932 6.177 -1.376 744 3HD1 LEU 97 HD12 LEU 97 -4.260 7.323 -1.546 745 1HD2 LEU 97 HD23 LEU 97 -4.635 3.512 -3.240 746 2HD2 LEU 97 HD22 LEU 97 -3.046 4.123 -3.664 747 3HD2 LEU 97 HD21 LEU 97 -3.468 3.886 -1.974 748 H GLU 98 HN GLU 98 -8.212 7.082 -4.299 749 HA GLU 98 HA GLU 98 -10.296 5.304 -3.467 750 1HB GLU 98 HB2 GLU 98 -10.426 7.740 -3.120 751 2HB GLU 98 HB1 GLU 98 -10.564 7.985 -4.860 752 1HG GLU 98 HG2 GLU 98 -12.665 6.667 -4.880 753 2HG GLU 98 HG1 GLU 98 -12.525 6.436 -3.137 754 H ALA 99 HN ALA 99 -9.451 6.514 -6.725 755 HA ALA 99 HA ALA 99 -11.716 5.246 -7.970 756 1HB ALA 99 HB2 ALA 99 -10.279 7.090 -8.981 757 2HB ALA 99 HB1 ALA 99 -9.077 5.849 -9.335 758 3HB ALA 99 HB3 ALA 99 -10.680 5.761 -10.066 759 H THR 100 HN THR 100 -8.328 4.119 -7.580 760 HA THR 100 HA THR 100 -8.816 1.690 -9.040 761 HB THR 100 HB THR 100 -6.762 2.081 -6.840 762 HG1 THR 100 HG1 THR 100 -6.408 2.528 -9.606 763 1HG2 THR 100 HG23 THR 100 -6.938 0.302 -9.286 764 2HG2 THR 100 HG22 THR 100 -5.508 0.445 -8.266 765 3HG2 THR 100 HG21 THR 100 -7.002 -0.222 -7.604 766 H ILE 101 HN ILE 101 -9.100 2.551 -5.611 767 HA ILE 101 HA ILE 101 -9.784 -0.090 -4.648 768 HB ILE 101 HB ILE 101 -10.511 2.692 -3.654 769 1HG1 ILE 101 HG12 ILE 101 -8.601 0.665 -2.463 770 2HG1 ILE 101 HG11 ILE 101 -8.084 1.865 -3.647 771 1HG2 ILE 101 HG22 ILE 101 -11.082 -0.050 -2.509 772 2HG2 ILE 101 HG21 ILE 101 -10.989 1.379 -1.479 773 3HG2 ILE 101 HG23 ILE 101 -12.205 1.287 -2.754 774 1HD1 ILE 101 HD12 ILE 101 -9.021 3.654 -2.140 775 2HD1 ILE 101 HD11 ILE 101 -9.303 2.404 -0.929 776 3HD1 ILE 101 HD13 ILE 101 -7.659 2.774 -1.447 777 H ASN 102 HN ASN 102 -11.672 2.701 -5.717 778 HA ASN 102 HA ASN 102 -14.272 1.565 -5.491 779 1HB ASN 102 HB2 ASN 102 -13.691 4.006 -5.881 780 2HB ASN 102 HB1 ASN 102 -13.325 3.589 -7.555 781 1HD2 ASN 102 HD22 ASN 102 -17.165 2.569 -6.950 782 2HD2 ASN 102 HD21 ASN 102 -15.877 1.693 -6.282 783 H GLU 103 HN GLU 103 -11.840 1.486 -8.015 784 HA GLU 103 HA GLU 103 -13.449 0.259 -10.045 785 1HB GLU 103 HB2 GLU 103 -11.228 1.465 -10.339 786 2HB GLU 103 HB1 GLU 103 -10.451 0.038 -9.674 787 1HG GLU 103 HG2 GLU 103 -12.298 -0.093 -12.072 788 2HG GLU 103 HG1 GLU 103 -10.557 0.138 -12.220 789 H LEU 104 HN LEU 104 -11.309 -1.042 -7.520 790 HA LEU 104 HA LEU 104 -11.955 -3.819 -8.361 791 1HB LEU 104 HB2 LEU 104 -10.022 -2.718 -6.323 792 2HB LEU 104 HB1 LEU 104 -10.219 -4.431 -6.660 793 HG LEU 104 HG LEU 104 -9.424 -2.354 -8.725 794 1HD1 LEU 104 HD12 LEU 104 -7.774 -4.210 -7.003 795 2HD1 LEU 104 HD11 LEU 104 -7.153 -3.464 -8.477 796 3HD1 LEU 104 HD13 LEU 104 -7.653 -2.458 -7.118 797 1HD2 LEU 104 HD23 LEU 104 -9.672 -5.370 -8.720 798 2HD2 LEU 104 HD22 LEU 104 -10.300 -4.222 -9.900 799 3HD2 LEU 104 HD21 LEU 104 -8.575 -4.563 -9.837 800 H VAL 105 HN VAL 105 -13.308 -1.579 -6.224 801 HA VAL 105 HA VAL 105 -13.694 -3.223 -3.898 802 HB VAL 105 HB VAL 105 -14.161 -0.719 -4.070 803 1HG1 VAL 105 HG13 VAL 105 -15.658 -1.187 -6.195 804 2HG1 VAL 105 HG12 VAL 105 -16.921 -1.474 -5.004 805 3HG1 VAL 105 HG11 VAL 105 -16.115 0.090 -5.072 806 1HG2 VAL 105 HG22 VAL 105 -16.224 -2.608 -2.898 807 2HG2 VAL 105 HG21 VAL 105 -14.814 -1.932 -2.084 808 3HG2 VAL 105 HG23 VAL 105 -16.163 -0.885 -2.528 809 HA PRO 59 HA PRO 106 14.125 15.922 -13.839 810 1HB PRO 59 HB2 PRO 106 16.679 15.396 -12.353 811 2HB PRO 59 HB1 PRO 106 16.181 14.850 -13.967 812 1HG PRO 59 HG2 PRO 106 17.935 16.825 -13.677 813 2HG PRO 59 HG1 PRO 106 16.709 16.870 -14.959 814 1HD PRO 59 HD2 PRO 106 16.806 18.410 -12.388 815 2HD PRO 59 HD1 PRO 106 16.163 18.902 -13.971 816 H ALA 60 HN ALA 107 15.043 16.871 -10.545 817 HA ALA 60 HA ALA 107 13.936 14.385 -9.404 818 1HB ALA 60 HB3 ALA 107 15.901 15.545 -8.364 819 2HB ALA 60 HB2 ALA 107 14.852 16.907 -7.983 820 3HB ALA 60 HB1 ALA 107 14.555 15.333 -7.246 821 H THR 61 HN THR 108 11.805 14.165 -8.964 822 HA THR 61 HA THR 108 10.088 16.625 -8.870 823 HB THR 61 HB THR 108 9.241 13.732 -9.244 824 HG1 THR 61 HG1 THR 108 8.975 14.685 -11.483 825 1HG2 THR 61 HG22 THR 108 7.527 15.371 -8.447 826 2HG2 THR 61 HG21 THR 108 7.838 16.339 -9.887 827 3HG2 THR 61 HG23 THR 108 7.167 14.715 -10.042 828 H LEU 62 HN LEU 109 9.155 17.157 -6.936 829 HA LEU 62 HA LEU 109 9.793 15.744 -4.521 830 1HB LEU 62 HB2 LEU 109 7.741 17.887 -5.136 831 2HB LEU 62 HB1 LEU 109 8.047 17.289 -3.510 832 HG LEU 62 HG LEU 109 10.210 18.436 -5.301 833 1HD1 LEU 62 HD12 LEU 109 8.460 20.125 -4.800 834 2HD1 LEU 62 HD11 LEU 109 8.669 19.809 -3.078 835 3HD1 LEU 62 HD13 LEU 109 9.991 20.509 -4.012 836 1HD2 LEU 62 HD23 LEU 109 10.072 17.521 -2.429 837 2HD2 LEU 62 HD22 LEU 109 11.318 17.207 -3.635 838 3HD2 LEU 62 HD21 LEU 109 11.210 18.791 -2.880 839 H LYS 63 HN LYS 110 7.071 15.597 -6.724 840 HA LYS 63 HA LYS 110 5.207 14.237 -5.046 841 1HB LYS 63 HB2 LYS 110 5.600 13.978 -8.045 842 2HB LYS 63 HB1 LYS 110 4.162 13.481 -7.158 843 1HG LYS 63 HG2 LYS 110 5.227 16.310 -7.420 844 2HG LYS 63 HG1 LYS 110 3.777 15.661 -8.188 845 1HD LYS 63 HD2 LYS 110 3.027 15.125 -5.728 846 2HD LYS 63 HD1 LYS 110 4.251 16.317 -5.281 847 1HE LYS 63 HE2 LYS 110 3.172 18.009 -6.667 848 2HE LYS 63 HE1 LYS 110 1.994 16.832 -7.243 849 1HZ LYS 63 HZ2 LYS 110 1.666 16.559 -4.637 850 2HZ LYS 63 HZ1 LYS 110 2.167 18.183 -4.665 851 3HZ LYS 63 HZ3 LYS 110 0.802 17.702 -5.548 852 H ILE 64 HN ILE 111 8.141 13.154 -6.515 853 HA ILE 64 HA ILE 111 7.547 10.337 -5.635 854 HB ILE 64 HB ILE 111 9.035 11.260 -8.118 855 1HG1 ILE 64 HG12 ILE 111 6.589 11.230 -8.371 856 2HG1 ILE 64 HG11 ILE 111 7.326 9.944 -9.316 857 1HG2 ILE 64 HG23 ILE 111 8.810 8.538 -6.824 858 2HG2 ILE 64 HG22 ILE 111 9.215 8.742 -8.527 859 3HG2 ILE 64 HG21 ILE 111 10.276 9.406 -7.284 860 1HD1 ILE 64 HD12 ILE 111 6.871 8.569 -7.027 861 2HD1 ILE 64 HD11 ILE 111 5.585 9.762 -6.906 862 3HD1 ILE 64 HD13 ILE 111 5.673 8.703 -8.311 863 H CYS 65 HN CYS 112 9.261 9.367 -4.466 864 HA CYS 65 HA CYS 112 11.603 11.109 -3.873 865 1HB CYS 65 HB2 CYS 112 10.912 8.471 -2.547 866 2HB CYS 65 HB1 CYS 112 12.007 9.707 -1.956 867 H SER 66 HN SER 113 13.541 10.618 -4.870 868 HA SER 66 HA SER 113 13.650 8.403 -6.759 869 1HB SER 66 HB2 SER 113 15.822 10.306 -5.821 870 2HB SER 66 HB1 SER 113 15.941 9.227 -7.206 871 HG SER 66 HG SER 113 14.606 11.616 -6.914 872 H TRP 67 HN TRP 114 14.806 6.451 -6.577 873 HA TRP 67 HA TRP 114 15.508 5.565 -3.876 874 1HB TRP 67 HB2 TRP 114 15.731 4.244 -6.603 875 2HB TRP 67 HB1 TRP 114 16.212 3.451 -5.097 876 HD1 TRP 67 HD1 TRP 114 13.115 5.480 -6.232 877 HE1 TRP 67 HE1 TRP 114 11.024 4.263 -5.366 878 HE3 TRP 67 HE3 TRP 114 15.274 1.491 -3.898 879 HZ2 TRP 67 HZ2 TRP 114 10.370 1.957 -3.873 880 HZ3 TRP 67 HZ3 TRP 114 13.886 -0.202 -2.757 881 HH2 TRP 67 HH2 TRP 114 11.421 0.023 -2.753 882 H ASN 68 HN ASN 115 17.114 7.216 -6.355 883 HA ASN 68 HA ASN 115 19.749 6.219 -6.245 884 1HB ASN 68 HB2 ASN 115 18.730 9.062 -6.526 885 2HB ASN 68 HB1 ASN 115 20.424 8.608 -6.740 886 1HD2 ASN 68 HD22 ASN 115 18.401 6.345 -9.362 887 2HD2 ASN 68 HD21 ASN 115 18.399 6.048 -7.691 888 H VAL 69 HN VAL 116 17.854 7.508 -3.757 889 HA VAL 69 HA VAL 116 19.861 8.832 -2.188 890 HB VAL 69 HB VAL 116 18.311 8.353 -0.264 891 1HG1 VAL 69 HG12 VAL 116 17.109 9.450 -2.822 892 2HG1 VAL 69 HG11 VAL 116 16.397 9.658 -1.221 893 3HG1 VAL 69 HG13 VAL 116 17.972 10.361 -1.584 894 1HG2 VAL 69 HG22 VAL 116 17.514 6.143 -1.158 895 2HG2 VAL 69 HG21 VAL 116 16.195 7.220 -0.712 896 3HG2 VAL 69 HG23 VAL 116 16.629 7.009 -2.405 897 H ASP 70 HN ASP 117 21.232 7.995 -0.579 898 HA ASP 70 HA ASP 117 22.235 5.352 -0.939 899 1HB ASP 70 HB2 ASP 117 22.461 7.313 1.358 900 2HB ASP 70 HB1 ASP 117 23.297 5.760 1.352 901 H GLY 71 HN GLY 118 19.864 6.694 1.331 902 1HA GLY 71 HA2 GLY 118 18.152 5.555 2.494 903 2HA GLY 71 HA1 GLY 118 18.664 4.065 1.703 No H/Q in entry = 903 Start of MODEL 29 1 1H MET 1 HT3 MET 1 -8.932 -1.712 8.667 2 2H MET 1 HT2 MET 1 -8.739 -3.106 9.621 3 3H MET 1 HT1 MET 1 -9.844 -1.902 10.085 4 HA MET 1 HA MET 1 -8.166 -0.400 10.674 5 1HB MET 1 HB2 MET 1 -7.320 -3.214 11.442 6 2HB MET 1 HB1 MET 1 -6.754 -1.743 12.232 7 1HG MET 1 HG2 MET 1 -9.673 -2.521 12.009 8 2HG MET 1 HG1 MET 1 -8.673 -2.856 13.422 9 1HE MET 1 HE3 MET 1 -7.067 -0.849 14.378 10 2HE MET 1 HE2 MET 1 -8.090 0.334 15.187 11 3HE MET 1 HE1 MET 1 -8.459 -1.382 15.329 12 H VAL 2 HN VAL 2 -5.599 -0.324 10.963 13 HA VAL 2 HA VAL 2 -4.467 -0.757 8.231 14 HB VAL 2 HB VAL 2 -3.552 0.948 10.567 15 1HG1 VAL 2 HG12 VAL 2 -2.364 0.476 7.816 16 2HG1 VAL 2 HG11 VAL 2 -1.945 1.862 8.825 17 3HG1 VAL 2 HG13 VAL 2 -1.580 0.226 9.376 18 1HG2 VAL 2 HG21 VAL 2 -4.745 1.563 7.850 19 2HG2 VAL 2 HG23 VAL 2 -5.531 1.795 9.411 20 3HG2 VAL 2 HG22 VAL 2 -4.136 2.777 8.971 21 H LYS 3 HN LYS 3 -2.563 -1.970 7.936 22 HA LYS 3 HA LYS 3 -1.457 -3.391 10.336 23 1HB LYS 3 HB2 LYS 3 -3.008 -4.838 8.963 24 2HB LYS 3 HB1 LYS 3 -1.941 -4.593 7.586 25 1HG LYS 3 HG2 LYS 3 -1.132 -6.614 8.428 26 2HG LYS 3 HG1 LYS 3 -0.076 -5.464 9.240 27 1HD LYS 3 HD2 LYS 3 -0.750 -6.762 11.044 28 2HD LYS 3 HD1 LYS 3 -1.974 -5.503 11.099 29 1HE LYS 3 HE2 LYS 3 -3.527 -6.937 9.837 30 2HE LYS 3 HE1 LYS 3 -2.293 -8.192 9.731 31 1HZ LYS 3 HZ2 LYS 3 -2.494 -7.492 12.404 32 2HZ LYS 3 HZ1 LYS 3 -4.089 -7.649 11.838 33 3HZ LYS 3 HZ3 LYS 3 -3.000 -8.940 11.674 34 H GLN 4 HN GLN 4 0.739 -3.180 10.445 35 HA GLN 4 HA GLN 4 2.159 -2.031 8.081 36 1HB GLN 4 HB2 GLN 4 2.427 -0.866 10.258 37 2HB GLN 4 HB1 GLN 4 3.068 -2.348 10.964 38 1HG GLN 4 HG2 GLN 4 4.946 -2.319 9.372 39 2HG GLN 4 HG1 GLN 4 4.299 -0.860 8.621 40 1HE2 GLN 4 HE22 GLN 4 6.294 1.015 10.852 41 2HE2 GLN 4 HE21 GLN 4 5.902 0.667 9.237 42 H ILE 5 HN ILE 5 3.325 -3.413 6.839 43 HA ILE 5 HA ILE 5 4.026 -6.102 7.943 44 HB ILE 5 HB ILE 5 4.229 -5.128 5.088 45 1HG1 ILE 5 HG12 ILE 5 1.901 -4.916 5.693 46 2HG1 ILE 5 HG11 ILE 5 2.078 -6.407 4.772 47 1HG2 ILE 5 HG23 ILE 5 4.203 -7.846 6.407 48 2HG2 ILE 5 HG22 ILE 5 4.077 -7.584 4.678 49 3HG2 ILE 5 HG21 ILE 5 5.534 -7.096 5.526 50 1HD1 ILE 5 HD13 ILE 5 2.359 -7.568 7.069 51 2HD1 ILE 5 HD12 ILE 5 1.690 -6.084 7.745 52 3HD1 ILE 5 HD11 ILE 5 0.740 -7.042 6.609 53 H GLU 6 HN GLU 6 6.067 -6.145 8.805 54 HA GLU 6 HA GLU 6 8.134 -4.308 7.728 55 1HB GLU 6 HB2 GLU 6 8.180 -6.149 10.141 56 2HB GLU 6 HB1 GLU 6 9.420 -4.972 9.713 57 1HG GLU 6 HG2 GLU 6 8.132 -3.795 11.280 58 2HG GLU 6 HG1 GLU 6 7.467 -3.244 9.745 59 H SER 7 HN SER 7 7.048 -7.384 7.042 60 HA SER 7 HA SER 7 9.658 -8.080 5.823 61 1HB SER 7 HB2 SER 7 9.684 -10.337 6.826 62 2HB SER 7 HB1 SER 7 9.816 -9.085 8.062 63 HG SER 7 HG SER 7 7.270 -9.445 7.752 64 H LYS 8 HN LYS 8 9.496 -9.782 4.238 65 HA LYS 8 HA LYS 8 7.033 -9.802 2.747 66 1HB LYS 8 HB2 LYS 8 9.367 -10.267 1.815 67 2HB LYS 8 HB1 LYS 8 9.238 -11.865 2.553 68 1HG LYS 8 HG2 LYS 8 6.993 -12.069 1.298 69 2HG LYS 8 HG1 LYS 8 7.542 -10.679 0.360 70 1HD LYS 8 HD2 LYS 8 9.098 -13.264 0.671 71 2HD LYS 8 HD1 LYS 8 8.101 -12.859 -0.726 72 1HE LYS 8 HE2 LYS 8 9.520 -10.716 -0.893 73 2HE LYS 8 HE1 LYS 8 10.634 -11.515 0.216 74 1HZ LYS 8 HZ1 LYS 8 9.706 -12.675 -2.353 75 2HZ LYS 8 HZ3 LYS 8 11.183 -11.868 -2.146 76 3HZ LYS 8 HZ2 LYS 8 10.885 -13.318 -1.313 77 H THR 9 HN THR 9 8.423 -11.854 5.224 78 HA THR 9 HA THR 9 6.791 -14.142 4.888 79 HB THR 9 HB THR 9 7.723 -12.963 7.519 80 HG1 THR 9 HG1 THR 9 9.284 -14.899 6.715 81 1HG2 THR 9 HG21 THR 9 6.908 -15.739 6.635 82 2HG2 THR 9 HG23 THR 9 7.779 -15.422 8.135 83 3HG2 THR 9 HG22 THR 9 6.167 -14.750 7.892 84 H ALA 10 HN ALA 10 6.240 -11.246 6.885 85 HA ALA 10 HA ALA 10 3.577 -12.044 7.675 86 1HB ALA 10 HB2 ALA 10 5.152 -9.475 7.775 87 2HB ALA 10 HB1 ALA 10 3.430 -9.462 8.158 88 3HB ALA 10 HB3 ALA 10 4.540 -10.447 9.111 89 H PHE 11 HN PHE 11 4.921 -10.343 4.923 90 HA PHE 11 HA PHE 11 2.555 -9.090 3.943 91 1HB PHE 11 HB2 PHE 11 4.942 -8.850 3.051 92 2HB PHE 11 HB1 PHE 11 4.721 -10.398 2.263 93 HD1 PHE 11 HD1 PHE 11 2.924 -7.127 2.652 94 HD2 PHE 11 HD2 PHE 11 3.950 -10.394 0.060 95 HE1 PHE 11 HE1 PHE 11 1.775 -6.001 0.769 96 HE2 PHE 11 HE2 PHE 11 2.795 -9.270 -1.817 97 HZ PHE 11 HZ PHE 11 1.708 -7.075 -1.458 98 H GLN 12 HN GLN 12 3.882 -12.331 3.412 99 HA GLN 12 HA GLN 12 1.788 -13.202 1.637 100 1HB GLN 12 HB2 GLN 12 3.599 -14.787 3.499 101 2HB GLN 12 HB1 GLN 12 2.645 -15.472 2.185 102 1HG GLN 12 HG2 GLN 12 4.820 -13.377 1.862 103 2HG GLN 12 HG1 GLN 12 4.999 -15.093 1.498 104 1HE2 GLN 12 HE22 GLN 12 3.470 -12.701 -1.306 105 2HE2 GLN 12 HE21 GLN 12 4.304 -12.148 0.063 106 H GLU 13 HN GLU 13 2.275 -13.473 5.154 107 HA GLU 13 HA GLU 13 -0.092 -14.992 5.710 108 1HB GLU 13 HB2 GLU 13 1.501 -13.054 7.415 109 2HB GLU 13 HB1 GLU 13 0.215 -14.067 8.045 110 1HG GLU 13 HG2 GLU 13 2.669 -15.125 6.617 111 2HG GLU 13 HG1 GLU 13 2.489 -15.058 8.370 112 H ALA 14 HN ALA 14 0.488 -11.516 5.440 113 HA ALA 14 HA ALA 14 -2.089 -10.724 6.436 114 1HB ALA 14 HB3 ALA 14 0.059 -9.298 6.068 115 2HB ALA 14 HB2 ALA 14 -0.523 -9.124 4.413 116 3HB ALA 14 HB1 ALA 14 -1.506 -8.547 5.760 117 H LEU 15 HN LEU 15 -0.834 -11.349 3.165 118 HA LEU 15 HA LEU 15 -3.200 -10.627 1.761 119 1HB LEU 15 HB2 LEU 15 -1.022 -12.637 1.150 120 2HB LEU 15 HB1 LEU 15 -2.299 -12.226 0.008 121 HG LEU 15 HG LEU 15 -0.477 -10.165 1.274 122 1HD1 LEU 15 HD13 LEU 15 -0.172 -11.755 -1.272 123 2HD1 LEU 15 HD12 LEU 15 0.585 -10.173 -1.077 124 3HD1 LEU 15 HD11 LEU 15 1.013 -11.495 0.009 125 1HD2 LEU 15 HD21 LEU 15 -2.585 -10.118 -0.880 126 2HD2 LEU 15 HD23 LEU 15 -2.312 -8.978 0.437 127 3HD2 LEU 15 HD22 LEU 15 -1.246 -8.975 -0.962 128 H ASP 16 HN ASP 16 -2.164 -13.663 3.276 129 HA ASP 16 HA ASP 16 -4.453 -15.175 2.400 130 1HB ASP 16 HB2 ASP 16 -2.238 -16.107 3.289 131 2HB ASP 16 HB1 ASP 16 -2.849 -15.723 4.900 132 H ALA 17 HN ALA 17 -3.740 -13.218 5.251 133 HA ALA 17 HA ALA 17 -6.073 -13.966 6.755 134 1HB ALA 17 HB3 ALA 17 -3.998 -12.806 7.648 135 2HB ALA 17 HB2 ALA 17 -4.609 -11.324 6.911 136 3HB ALA 17 HB1 ALA 17 -5.531 -12.120 8.188 137 H ALA 18 HN ALA 18 -5.454 -11.412 4.382 138 HA ALA 18 HA ALA 18 -7.887 -9.963 4.780 139 1HB ALA 18 HB1 ALA 18 -6.050 -10.278 2.400 140 2HB ALA 18 HB3 ALA 18 -7.491 -9.263 2.339 141 3HB ALA 18 HB2 ALA 18 -6.202 -8.896 3.485 142 H GLY 19 HN GLY 19 -7.172 -12.938 3.087 143 1HA GLY 19 HA2 GLY 19 -8.627 -14.519 2.141 144 2HA GLY 19 HA1 GLY 19 -9.956 -13.644 2.904 145 H ASP 20 HN ASP 20 -11.412 -13.164 1.332 146 HA ASP 20 HA ASP 20 -10.476 -12.514 -1.400 147 1HB ASP 20 HB2 ASP 20 -13.270 -12.900 -0.287 148 2HB ASP 20 HB1 ASP 20 -12.868 -12.669 -1.990 149 H LYS 21 HN LYS 21 -10.713 -10.717 1.282 150 HA LYS 21 HA LYS 21 -12.347 -8.487 0.355 151 1HB LYS 21 HB2 LYS 21 -10.275 -8.736 2.557 152 2HB LYS 21 HB1 LYS 21 -11.190 -7.262 2.250 153 1HG LYS 21 HG2 LYS 21 -13.296 -8.717 2.469 154 2HG LYS 21 HG1 LYS 21 -12.233 -9.951 3.148 155 1HD LYS 21 HD2 LYS 21 -11.465 -8.327 4.857 156 2HD LYS 21 HD1 LYS 21 -12.580 -7.127 4.200 157 1HE LYS 21 HE2 LYS 21 -13.679 -8.155 6.073 158 2HE LYS 21 HE1 LYS 21 -14.446 -8.780 4.613 159 1HZ LYS 21 HZ3 LYS 21 -12.153 -10.249 5.670 160 2HZ LYS 21 HZ2 LYS 21 -13.612 -10.361 6.532 161 3HZ LYS 21 HZ1 LYS 21 -13.549 -10.828 4.900 162 H LEU 22 HN LEU 22 -11.553 -6.455 -0.460 163 HA LEU 22 HA LEU 22 -9.370 -6.613 -2.270 164 1HB LEU 22 HB2 LEU 22 -11.412 -4.808 -1.794 165 2HB LEU 22 HB1 LEU 22 -10.017 -3.914 -1.214 166 HG LEU 22 HG LEU 22 -10.401 -5.070 -3.982 167 1HD1 LEU 22 HD13 LEU 22 -10.789 -2.395 -2.754 168 2HD1 LEU 22 HD12 LEU 22 -9.829 -2.364 -4.226 169 3HD1 LEU 22 HD11 LEU 22 -11.444 -3.059 -4.247 170 1HD2 LEU 22 HD21 LEU 22 -7.977 -3.872 -2.632 171 2HD2 LEU 22 HD23 LEU 22 -8.073 -5.324 -3.627 172 3HD2 LEU 22 HD22 LEU 22 -8.187 -3.737 -4.375 173 H VAL 23 HN VAL 23 -7.230 -5.595 -2.053 174 HA VAL 23 HA VAL 23 -6.403 -4.885 0.708 175 HB VAL 23 HB VAL 23 -4.987 -6.955 -0.999 176 1HG1 VAL 23 HG11 VAL 23 -4.344 -5.579 1.606 177 2HG1 VAL 23 HG13 VAL 23 -3.693 -7.181 1.251 178 3HG1 VAL 23 HG12 VAL 23 -3.311 -5.820 0.199 179 1HG2 VAL 23 HG22 VAL 23 -6.698 -7.174 1.483 180 2HG2 VAL 23 HG21 VAL 23 -6.889 -8.027 -0.049 181 3HG2 VAL 23 HG23 VAL 23 -5.546 -8.427 1.021 182 H VAL 24 HN VAL 24 -5.461 -2.962 0.475 183 HA VAL 24 HA VAL 24 -4.043 -2.345 -2.080 184 HB VAL 24 HB VAL 24 -4.953 -0.457 0.122 185 1HG1 VAL 24 HG11 VAL 24 -3.052 0.316 -1.310 186 2HG1 VAL 24 HG13 VAL 24 -4.069 0.077 -2.730 187 3HG1 VAL 24 HG12 VAL 24 -4.509 1.286 -1.524 188 1HG2 VAL 24 HG23 VAL 24 -6.227 -1.233 -2.513 189 2HG2 VAL 24 HG22 VAL 24 -6.907 -1.454 -0.904 190 3HG2 VAL 24 HG21 VAL 24 -6.717 0.170 -1.567 191 H VAL 25 HN VAL 25 -1.830 -1.869 -2.001 192 HA VAL 25 HA VAL 25 -0.519 -1.976 0.708 193 HB VAL 25 HB VAL 25 0.509 -3.046 -1.933 194 1HG1 VAL 25 HG11 VAL 25 1.747 -2.807 0.808 195 2HG1 VAL 25 HG13 VAL 25 2.367 -3.907 -0.422 196 3HG1 VAL 25 HG12 VAL 25 2.370 -2.168 -0.713 197 1HG2 VAL 25 HG23 VAL 25 -1.266 -4.382 -0.671 198 2HG2 VAL 25 HG22 VAL 25 0.253 -5.221 -0.981 199 3HG2 VAL 25 HG21 VAL 25 -0.075 -4.556 0.617 200 H ASP 26 HN ASP 26 0.491 -0.146 1.191 201 HA ASP 26 HA ASP 26 1.154 1.790 -0.988 202 1HB ASP 26 HB2 ASP 26 -0.282 2.558 0.864 203 2HB ASP 26 HB1 ASP 26 0.995 2.167 2.013 204 H PHE 27 HN PHE 27 3.257 1.520 -1.674 205 HA PHE 27 HA PHE 27 5.370 0.790 0.302 206 1HB PHE 27 HB2 PHE 27 5.376 1.214 -2.709 207 2HB PHE 27 HB1 PHE 27 6.853 0.973 -1.778 208 HD1 PHE 27 HD1 PHE 27 7.353 -1.177 -0.741 209 HD2 PHE 27 HD2 PHE 27 3.772 -0.596 -3.040 210 HE1 PHE 27 HE1 PHE 27 7.040 -3.634 -0.876 211 HE2 PHE 27 HE2 PHE 27 3.457 -3.052 -3.156 212 HZ PHE 27 HZ PHE 27 5.089 -4.570 -2.080 213 H SER 28 HN SER 28 5.786 2.600 1.538 214 HA SER 28 HA SER 28 6.538 5.111 0.063 215 1HB SER 28 HB2 SER 28 5.044 4.922 2.699 216 2HB SER 28 HB1 SER 28 5.609 6.407 1.942 217 HG SER 28 HG SER 28 3.486 6.103 1.351 218 H ALA 29 HN ALA 29 8.325 6.190 0.937 219 HA ALA 29 HA ALA 29 10.036 4.509 2.654 220 1HB ALA 29 HB2 ALA 29 10.379 6.899 0.897 221 2HB ALA 29 HB1 ALA 29 11.474 6.797 2.275 222 3HB ALA 29 HB3 ALA 29 11.427 5.496 1.082 223 H THR 30 HN THR 30 9.943 4.735 4.853 224 HA THR 30 HA THR 30 8.356 6.807 6.063 225 HB THR 30 HB THR 30 8.783 4.650 7.205 226 HG1 THR 30 HG1 THR 30 8.339 5.966 8.779 227 1HG2 THR 30 HG23 THR 30 11.168 4.468 6.385 228 2HG2 THR 30 HG22 THR 30 11.610 5.649 7.618 229 3HG2 THR 30 HG21 THR 30 10.944 4.086 8.092 230 H TRP 31 HN TRP 31 11.756 6.453 5.257 231 HA TRP 31 HA TRP 31 12.668 8.772 6.741 232 1HB TRP 31 HB2 TRP 31 14.694 8.593 5.394 233 2HB TRP 31 HB1 TRP 31 14.201 6.999 5.959 234 HD1 TRP 31 HD1 TRP 31 13.556 5.235 4.202 235 HE1 TRP 31 HE1 TRP 31 13.650 5.144 1.629 236 HE3 TRP 31 HE3 TRP 31 14.260 10.175 3.191 237 HZ2 TRP 31 HZ2 TRP 31 13.956 6.946 -0.569 238 HZ3 TRP 31 HZ3 TRP 31 14.430 10.967 0.852 239 HH2 TRP 31 HH2 TRP 31 14.278 9.362 -1.029 240 H CYS 32 HN CYS 32 11.141 8.366 3.604 241 HA CYS 32 HA CYS 32 11.942 11.050 2.703 242 1HB CYS 32 HB2 CYS 32 11.438 8.950 1.235 243 2HB CYS 32 HB1 CYS 32 9.749 9.379 1.467 244 H GLY 33 HN GLY 33 10.995 12.797 3.530 245 1HA GLY 33 HA2 GLY 33 8.723 12.774 5.218 246 2HA GLY 33 HA1 GLY 33 9.399 14.216 4.470 247 HA PRO 34 HA PRO 34 6.232 14.629 1.424 248 1HB PRO 34 HB2 PRO 34 7.650 13.150 -0.746 249 2HB PRO 34 HB1 PRO 34 7.035 14.812 -0.733 250 1HG PRO 34 HG2 PRO 34 9.688 14.247 -0.569 251 2HG PRO 34 HG1 PRO 34 8.971 15.667 0.211 252 1HD PRO 34 HD2 PRO 34 9.962 13.147 1.454 253 2HD PRO 34 HD1 PRO 34 9.823 14.771 2.170 254 H ALA 35 HN ALA 35 7.623 11.358 1.417 255 HA ALA 35 HA ALA 35 5.186 10.114 0.419 256 1HB ALA 35 HB2 ALA 35 7.679 9.258 0.342 257 2HB ALA 35 HB1 ALA 35 7.291 8.583 1.923 258 3HB ALA 35 HB3 ALA 35 6.357 8.103 0.505 259 H LYS 36 HN LYS 36 6.800 10.145 3.626 260 HA LYS 36 HA LYS 36 4.709 8.783 5.005 261 1HB LYS 36 HB2 LYS 36 7.014 9.221 5.914 262 2HB LYS 36 HB1 LYS 36 6.539 10.901 6.169 263 1HG LYS 36 HG2 LYS 36 4.631 10.088 7.587 264 2HG LYS 36 HG1 LYS 36 5.268 8.450 7.427 265 1HD LYS 36 HD2 LYS 36 7.395 9.161 8.443 266 2HD LYS 36 HD1 LYS 36 6.783 10.809 8.584 267 1HE LYS 36 HE2 LYS 36 5.064 10.108 10.137 268 2HE LYS 36 HE1 LYS 36 5.465 8.408 9.885 269 1HZ LYS 36 HZ3 LYS 36 7.816 9.710 10.581 270 2HZ LYS 36 HZ2 LYS 36 6.631 10.248 11.673 271 3HZ LYS 36 HZ1 LYS 36 6.944 8.586 11.505 272 H MET 37 HN MET 37 5.168 12.197 4.236 273 HA MET 37 HA MET 37 3.109 13.296 5.853 274 1HB MET 37 HB2 MET 37 4.849 14.590 4.580 275 2HB MET 37 HB1 MET 37 3.950 14.253 3.104 276 1HG MET 37 HG2 MET 37 3.278 16.439 3.902 277 2HG MET 37 HG1 MET 37 1.936 15.325 4.169 278 1HE MET 37 HE3 MET 37 5.165 16.826 5.761 279 2HE MET 37 HE2 MET 37 3.924 18.064 5.583 280 3HE MET 37 HE1 MET 37 4.456 17.585 7.192 281 H ILE 38 HN ILE 38 2.965 11.547 2.828 282 HA ILE 38 HA ILE 38 0.201 12.293 2.251 283 HB ILE 38 HB ILE 38 2.039 10.190 1.063 284 1HG1 ILE 38 HG12 ILE 38 0.981 12.729 -0.196 285 2HG1 ILE 38 HG11 ILE 38 2.460 12.722 0.766 286 1HG2 ILE 38 HG23 ILE 38 -0.823 10.927 0.446 287 2HG2 ILE 38 HG22 ILE 38 0.239 10.308 -0.818 288 3HG2 ILE 38 HG21 ILE 38 -0.103 9.324 0.601 289 1HD1 ILE 38 HD13 ILE 38 3.364 10.946 -0.707 290 2HD1 ILE 38 HD12 ILE 38 1.930 11.073 -1.715 291 3HD1 ILE 38 HD11 ILE 38 3.038 12.440 -1.571 292 H LYS 39 HN LYS 39 1.519 10.224 4.552 293 HA LYS 39 HA LYS 39 -0.111 7.937 4.249 294 1HB LYS 39 HB2 LYS 39 0.526 7.230 6.376 295 2HB LYS 39 HB1 LYS 39 1.881 8.186 5.815 296 1HG LYS 39 HG2 LYS 39 1.397 9.972 7.285 297 2HG LYS 39 HG1 LYS 39 -0.257 9.449 7.561 298 1HD LYS 39 HD2 LYS 39 2.219 7.966 8.486 299 2HD LYS 39 HD1 LYS 39 1.202 8.987 9.499 300 1HE LYS 39 HE2 LYS 39 0.199 6.973 9.988 301 2HE LYS 39 HE1 LYS 39 -0.700 7.322 8.511 302 1HZ LYS 39 HZ1 LYS 39 1.845 6.073 8.041 303 2HZ LYS 39 HZ3 LYS 39 0.794 5.112 8.964 304 3HZ LYS 39 HZ2 LYS 39 0.308 5.673 7.434 305 HA PRO 40 HA PRO 40 -3.311 10.076 7.276 306 1HB PRO 40 HB2 PRO 40 -3.637 12.594 5.712 307 2HB PRO 40 HB1 PRO 40 -3.635 12.352 7.470 308 1HG PRO 40 HG2 PRO 40 -1.560 13.516 6.236 309 2HG PRO 40 HG1 PRO 40 -1.310 12.418 7.604 310 1HD PRO 40 HD2 PRO 40 -0.922 11.904 4.684 311 2HD PRO 40 HD1 PRO 40 0.059 11.322 6.050 312 H PHE 41 HN PHE 41 -3.324 10.867 3.769 313 HA PHE 41 HA PHE 41 -6.167 10.431 3.505 314 1HB PHE 41 HB2 PHE 41 -3.876 10.313 1.523 315 2HB PHE 41 HB1 PHE 41 -5.558 10.094 1.070 316 HD1 PHE 41 HD2 PHE 41 -3.181 12.490 2.640 317 HD2 PHE 41 HD1 PHE 41 -7.006 11.923 0.769 318 HE1 PHE 41 HE2 PHE 41 -3.487 14.953 2.520 319 HE2 PHE 41 HE1 PHE 41 -7.313 14.383 0.650 320 HZ PHE 41 HZ PHE 41 -5.553 15.897 1.522 321 H PHE 42 HN PHE 42 -3.319 8.396 2.869 322 HA PHE 42 HA PHE 42 -4.750 6.047 2.084 323 1HB PHE 42 HB2 PHE 42 -2.372 6.388 1.620 324 2HB PHE 42 HB1 PHE 42 -2.007 6.379 3.349 325 HD1 PHE 42 HD1 PHE 42 -3.240 4.305 0.520 326 HD2 PHE 42 HD2 PHE 42 -1.813 4.334 4.568 327 HE1 PHE 42 HE1 PHE 42 -3.057 1.835 0.471 328 HE2 PHE 42 HE2 PHE 42 -1.620 1.863 4.517 329 HZ PHE 42 HZ PHE 42 -2.245 0.610 2.469 330 H HIS 43 HN HIS 43 -3.356 6.977 5.221 331 HA HIS 43 HA HIS 43 -4.325 4.698 6.658 332 1HB HIS 43 HB2 HIS 43 -2.465 6.148 7.422 333 2HB HIS 43 HB1 HIS 43 -3.599 7.479 7.647 334 HD1 HIS 43 HD1 HIS 43 -2.370 4.362 9.217 335 HD2 HIS 43 HD2 HIS 43 -5.467 7.075 9.804 336 HE1 HIS 43 HE1 HIS 43 -3.384 3.809 11.472 337 H SER 44 HN SER 44 -5.643 7.979 6.193 338 HA SER 44 HA SER 44 -7.863 7.709 7.959 339 1HB SER 44 HB2 SER 44 -7.598 9.407 5.471 340 2HB SER 44 HB1 SER 44 -8.881 9.562 6.665 341 HG SER 44 HG SER 44 -7.541 10.727 7.766 342 H LEU 45 HN LEU 45 -7.480 6.875 4.535 343 HA LEU 45 HA LEU 45 -10.218 6.348 4.001 344 1HB LEU 45 HB2 LEU 45 -7.688 5.259 2.791 345 2HB LEU 45 HB1 LEU 45 -9.268 4.795 2.192 346 HG LEU 45 HG LEU 45 -8.542 7.719 2.490 347 1HD1 LEU 45 HD11 LEU 45 -7.914 5.877 0.165 348 2HD1 LEU 45 HD13 LEU 45 -7.931 7.636 0.040 349 3HD1 LEU 45 HD12 LEU 45 -6.768 6.838 1.100 350 1HD2 LEU 45 HD23 LEU 45 -10.523 6.136 0.828 351 2HD2 LEU 45 HD22 LEU 45 -10.870 7.358 2.049 352 3HD2 LEU 45 HD21 LEU 45 -10.158 7.828 0.511 353 H SER 46 HN SER 46 -7.827 4.465 5.714 354 HA SER 46 HA SER 46 -8.865 1.871 5.475 355 1HB SER 46 HB2 SER 46 -7.838 3.189 8.012 356 2HB SER 46 HB1 SER 46 -7.982 1.456 7.745 357 HG SER 46 HG SER 46 -6.415 3.268 6.219 358 H GLU 47 HN GLU 47 -9.989 4.554 7.488 359 HA GLU 47 HA GLU 47 -12.162 2.921 8.615 360 1HB GLU 47 HB2 GLU 47 -11.441 5.867 8.840 361 2HB GLU 47 HB1 GLU 47 -12.824 5.134 9.653 362 1HG GLU 47 HG2 GLU 47 -11.047 5.105 11.254 363 2HG GLU 47 HG1 GLU 47 -11.176 3.451 10.655 364 H LYS 48 HN LYS 48 -11.653 4.871 5.788 365 HA LYS 48 HA LYS 48 -14.477 5.582 5.459 366 1HB LYS 48 HB2 LYS 48 -12.619 6.947 4.447 367 2HB LYS 48 HB1 LYS 48 -12.301 5.600 3.350 368 1HG LYS 48 HG2 LYS 48 -14.621 5.725 2.515 369 2HG LYS 48 HG1 LYS 48 -14.932 7.088 3.589 370 1HD LYS 48 HD2 LYS 48 -12.991 8.275 2.446 371 2HD LYS 48 HD1 LYS 48 -13.023 6.981 1.247 372 1HE LYS 48 HE2 LYS 48 -15.351 8.792 1.945 373 2HE LYS 48 HE1 LYS 48 -14.360 8.907 0.490 374 1HZ LYS 48 HZ3 LYS 48 -15.344 6.264 0.892 375 2HZ LYS 48 HZ2 LYS 48 -16.615 7.387 0.807 376 3HZ LYS 48 HZ1 LYS 48 -15.492 7.273 -0.463 377 H TYR 49 HN TYR 49 -12.251 3.099 4.341 378 HA TYR 49 HA TYR 49 -14.605 1.541 3.284 379 1HB TYR 49 HB2 TYR 49 -11.748 1.580 2.231 380 2HB TYR 49 HB1 TYR 49 -13.006 0.467 1.691 381 HD1 TYR 49 HD2 TYR 49 -15.192 1.487 0.784 382 HD2 TYR 49 HD1 TYR 49 -11.545 3.714 1.228 383 HE1 TYR 49 HE2 TYR 49 -16.041 3.194 -0.801 384 HE2 TYR 49 HE1 TYR 49 -12.395 5.416 -0.363 385 HH TYR 49 HH TYR 49 -15.056 6.116 -1.048 386 H SER 50 HN SER 50 -14.409 1.103 5.737 387 HA SER 50 HA SER 50 -12.264 -0.430 6.795 388 1HB SER 50 HB2 SER 50 -13.737 -0.905 8.615 389 2HB SER 50 HB1 SER 50 -14.157 0.706 8.060 390 HG SER 50 HG SER 50 -15.658 -1.538 8.114 391 H ASN 51 HN ASN 51 -14.498 -1.214 4.397 392 HA ASN 51 HA ASN 51 -14.489 -4.117 4.978 393 1HB ASN 51 HB2 ASN 51 -16.512 -2.910 4.023 394 2HB ASN 51 HB1 ASN 51 -15.588 -2.701 2.536 395 1HD2 ASN 51 HD22 ASN 51 -16.258 -5.967 1.423 396 2HD2 ASN 51 HD21 ASN 51 -15.720 -4.400 1.054 397 H VAL 52 HN VAL 52 -12.241 -2.107 3.986 398 HA VAL 52 HA VAL 52 -11.052 -4.020 2.026 399 HB VAL 52 HB VAL 52 -11.021 -0.988 1.988 400 1HG1 VAL 52 HG11 VAL 52 -9.161 -2.991 0.727 401 2HG1 VAL 52 HG13 VAL 52 -9.534 -1.495 -0.131 402 3HG1 VAL 52 HG12 VAL 52 -8.789 -1.438 1.462 403 1HG2 VAL 52 HG22 VAL 52 -11.897 -3.133 0.030 404 2HG2 VAL 52 HG21 VAL 52 -12.933 -1.983 0.875 405 3HG2 VAL 52 HG23 VAL 52 -11.814 -1.417 -0.364 406 H ILE 53 HN ILE 53 -8.817 -4.440 2.401 407 HA ILE 53 HA ILE 53 -7.871 -3.556 5.105 408 HB ILE 53 HB ILE 53 -6.690 -5.671 3.282 409 1HG1 ILE 53 HG12 ILE 53 -9.000 -6.290 3.672 410 2HG1 ILE 53 HG11 ILE 53 -7.992 -7.282 4.721 411 1HG2 ILE 53 HG22 ILE 53 -5.487 -4.624 5.395 412 2HG2 ILE 53 HG21 ILE 53 -6.584 -5.658 6.295 413 3HG2 ILE 53 HG23 ILE 53 -5.456 -6.366 5.141 414 1HD1 ILE 53 HD11 ILE 53 -8.407 -5.434 6.506 415 2HD1 ILE 53 HD13 ILE 53 -9.736 -4.935 5.459 416 3HD1 ILE 53 HD12 ILE 53 -9.719 -6.556 6.150 417 H PHE 54 HN PHE 54 -6.361 -1.928 5.187 418 HA PHE 54 HA PHE 54 -4.773 -1.298 2.718 419 1HB PHE 54 HB2 PHE 54 -5.370 0.331 5.207 420 2HB PHE 54 HB1 PHE 54 -4.315 0.866 3.908 421 HD1 PHE 54 HD1 PHE 54 -7.788 -0.315 4.601 422 HD2 PHE 54 HD2 PHE 54 -5.223 1.932 1.999 423 HE1 PHE 54 HE1 PHE 54 -9.768 0.527 3.365 424 HE2 PHE 54 HE2 PHE 54 -7.197 2.768 0.759 425 HZ PHE 54 HZ PHE 54 -9.469 2.062 1.443 426 H LEU 55 HN LEU 55 -2.630 -1.865 2.713 427 HA LEU 55 HA LEU 55 -1.260 -2.368 5.340 428 1HB LEU 55 HB2 LEU 55 -0.698 -3.524 2.597 429 2HB LEU 55 HB1 LEU 55 0.402 -3.702 3.961 430 HG LEU 55 HG LEU 55 -1.323 -4.894 5.224 431 1HD1 LEU 55 HD13 LEU 55 -3.061 -4.076 2.922 432 2HD1 LEU 55 HD12 LEU 55 -3.398 -5.605 3.736 433 3HD1 LEU 55 HD11 LEU 55 -3.404 -4.108 4.649 434 1HD2 LEU 55 HD22 LEU 55 0.169 -6.055 3.509 435 2HD2 LEU 55 HD21 LEU 55 -1.282 -6.931 3.996 436 3HD2 LEU 55 HD23 LEU 55 -1.239 -6.084 2.448 437 H GLU 56 HN GLU 56 0.643 -1.334 5.765 438 HA GLU 56 HA GLU 56 1.593 0.676 3.749 439 1HB GLU 56 HB2 GLU 56 0.752 1.598 5.947 440 2HB GLU 56 HB1 GLU 56 2.035 0.696 6.755 441 1HG GLU 56 HG2 GLU 56 3.708 1.879 5.308 442 2HG GLU 56 HG1 GLU 56 2.392 2.860 4.660 443 H VAL 57 HN VAL 57 3.660 0.366 3.005 444 HA VAL 57 HA VAL 57 5.354 -1.684 4.418 445 HB VAL 57 HB VAL 57 5.039 -1.212 1.443 446 1HG1 VAL 57 HG12 VAL 57 6.704 -3.161 3.053 447 2HG1 VAL 57 HG11 VAL 57 6.434 -3.303 1.322 448 3HG1 VAL 57 HG13 VAL 57 7.307 -1.914 1.962 449 1HG2 VAL 57 HG23 VAL 57 3.129 -2.359 2.637 450 2HG2 VAL 57 HG22 VAL 57 3.925 -3.355 1.419 451 3HG2 VAL 57 HG21 VAL 57 4.269 -3.610 3.129 452 H ASP 58 HN ASP 58 7.449 -1.122 4.785 453 HA ASP 58 HA ASP 58 8.379 1.592 3.938 454 1HB ASP 58 HB2 ASP 58 8.468 0.774 6.362 455 2HB ASP 58 HB1 ASP 58 9.696 -0.380 5.824 456 H VAL 59 HN VAL 59 9.644 1.617 2.109 457 HA VAL 59 HA VAL 59 10.717 -0.810 0.964 458 HB VAL 59 HB VAL 59 11.989 0.821 -0.517 459 1HG1 VAL 59 HG13 VAL 59 8.996 1.030 -0.123 460 2HG1 VAL 59 HG12 VAL 59 9.821 1.805 -1.472 461 3HG1 VAL 59 HG11 VAL 59 9.868 0.054 -1.303 462 1HG2 VAL 59 HG22 VAL 59 12.049 2.600 1.317 463 2HG2 VAL 59 HG21 VAL 59 11.603 3.167 -0.294 464 3HG2 VAL 59 HG23 VAL 59 10.358 2.919 0.929 465 H ASP 60 HN ASP 60 11.792 1.385 3.397 466 HA ASP 60 HA ASP 60 14.622 0.534 3.110 467 1HB ASP 60 HB2 ASP 60 13.165 2.601 4.735 468 2HB ASP 60 HB1 ASP 60 14.798 2.129 5.162 469 H ASP 61 HN ASP 61 11.987 0.221 5.554 470 HA ASP 61 HA ASP 61 13.761 -1.596 7.127 471 1HB ASP 61 HB2 ASP 61 10.953 -0.583 7.705 472 2HB ASP 61 HB1 ASP 61 11.903 -1.607 8.775 473 H ALA 62 HN ALA 62 11.345 -1.663 4.742 474 HA ALA 62 HA ALA 62 10.979 -4.612 5.114 475 1HB ALA 62 HB1 ALA 62 8.934 -2.920 5.437 476 2HB ALA 62 HB3 ALA 62 8.901 -2.989 3.677 477 3HB ALA 62 HB2 ALA 62 8.712 -4.465 4.617 478 H GLN 63 HN GLN 63 13.061 -3.329 3.723 479 HA GLN 63 HA GLN 63 12.621 -2.954 0.948 480 1HB GLN 63 HB2 GLN 63 15.022 -3.186 0.720 481 2HB GLN 63 HB1 GLN 63 14.708 -2.366 2.249 482 1HG GLN 63 HG2 GLN 63 14.811 -4.643 3.365 483 2HG GLN 63 HG1 GLN 63 15.419 -5.277 1.836 484 1HE2 GLN 63 HE22 GLN 63 18.630 -3.782 2.176 485 2HE2 GLN 63 HE21 GLN 63 17.545 -4.510 1.093 486 H ASP 64 HN ASP 64 12.667 -5.844 2.850 487 HA ASP 64 HA ASP 64 13.412 -7.722 0.827 488 1HB ASP 64 HB2 ASP 64 12.107 -9.356 2.268 489 2HB ASP 64 HB1 ASP 64 13.353 -8.450 3.120 490 H VAL 65 HN VAL 65 10.298 -6.269 1.735 491 HA VAL 65 HA VAL 65 8.756 -7.854 -0.140 492 HB VAL 65 HB VAL 65 8.046 -5.125 0.988 493 1HG1 VAL 65 HG13 VAL 65 6.637 -5.983 -0.858 494 2HG1 VAL 65 HG12 VAL 65 6.331 -7.451 0.070 495 3HG1 VAL 65 HG11 VAL 65 5.744 -5.896 0.660 496 1HG2 VAL 65 HG22 VAL 65 8.069 -7.839 2.270 497 2HG2 VAL 65 HG21 VAL 65 8.392 -6.265 2.985 498 3HG2 VAL 65 HG23 VAL 65 6.733 -6.759 2.655 499 H ALA 66 HN ALA 66 10.149 -4.588 -0.143 500 HA ALA 66 HA ALA 66 9.144 -3.856 -2.726 501 1HB ALA 66 HB3 ALA 66 10.117 -2.375 -0.808 502 2HB ALA 66 HB2 ALA 66 11.671 -2.693 -1.579 503 3HB ALA 66 HB1 ALA 66 10.384 -1.895 -2.484 504 H SER 67 HN SER 67 12.244 -5.303 -1.701 505 HA SER 67 HA SER 67 13.541 -5.110 -4.235 506 1HB SER 67 HB2 SER 67 14.969 -6.950 -3.443 507 2HB SER 67 HB1 SER 67 14.703 -5.791 -2.143 508 HG SER 67 HG SER 67 13.663 -8.372 -2.510 509 H GLU 68 HN GLU 68 11.282 -7.475 -2.905 510 HA GLU 68 HA GLU 68 11.426 -9.338 -5.088 511 1HB GLU 68 HB2 GLU 68 10.443 -9.908 -2.884 512 2HB GLU 68 HB1 GLU 68 9.131 -8.769 -3.179 513 1HG GLU 68 HG2 GLU 68 8.485 -10.073 -5.199 514 2HG GLU 68 HG1 GLU 68 9.756 -11.237 -4.830 515 H ALA 69 HN ALA 69 9.514 -6.424 -4.481 516 HA ALA 69 HA ALA 69 7.949 -6.804 -6.944 517 1HB ALA 69 HB3 ALA 69 6.896 -5.847 -4.926 518 2HB ALA 69 HB2 ALA 69 8.013 -4.486 -5.000 519 3HB ALA 69 HB1 ALA 69 6.832 -4.725 -6.286 520 H GLU 70 HN GLU 70 11.035 -5.644 -6.361 521 HA GLU 70 HA GLU 70 12.452 -4.217 -7.589 522 1HB GLU 70 HB2 GLU 70 10.446 -5.003 -9.719 523 2HB GLU 70 HB1 GLU 70 11.906 -4.078 -10.055 524 1HG GLU 70 HG2 GLU 70 12.445 -6.361 -10.478 525 2HG GLU 70 HG1 GLU 70 13.208 -5.951 -8.943 526 H VAL 71 HN VAL 71 10.775 -2.740 -6.009 527 HA VAL 71 HA VAL 71 9.130 -0.891 -7.454 528 HB VAL 71 HB VAL 71 10.616 -0.405 -4.844 529 1HG1 VAL 71 HG12 VAL 71 8.185 0.850 -6.160 530 2HG1 VAL 71 HG11 VAL 71 8.619 1.116 -4.473 531 3HG1 VAL 71 HG13 VAL 71 9.708 1.641 -5.762 532 1HG2 VAL 71 HG21 VAL 71 7.971 -1.759 -5.488 533 2HG2 VAL 71 HG23 VAL 71 9.315 -2.404 -4.549 534 3HG2 VAL 71 HG22 VAL 71 8.323 -1.104 -3.889 535 H LYS 72 HN LYS 72 9.694 0.859 -8.642 536 HA LYS 72 HA LYS 72 12.580 1.550 -8.817 537 1HB LYS 72 HB2 LYS 72 10.298 2.113 -10.726 538 2HB LYS 72 HB1 LYS 72 11.983 2.544 -11.005 539 1HG LYS 72 HG2 LYS 72 11.170 -0.322 -10.446 540 2HG LYS 72 HG1 LYS 72 11.120 0.343 -12.077 541 1HD LYS 72 HD2 LYS 72 13.547 1.019 -11.780 542 2HD LYS 72 HD1 LYS 72 13.549 0.095 -10.280 543 1HE LYS 72 HE2 LYS 72 12.878 -1.928 -11.532 544 2HE LYS 72 HE1 LYS 72 12.925 -1.000 -13.033 545 1HZ LYS 72 HZ2 LYS 72 15.321 -0.483 -11.826 546 2HZ LYS 72 HZ1 LYS 72 15.077 -2.139 -11.540 547 3HZ LYS 72 HZ3 LYS 72 15.065 -1.543 -13.129 548 H ALA 73 HN ALA 73 9.623 2.721 -7.586 549 HA ALA 73 HA ALA 73 10.916 5.188 -6.763 550 1HB ALA 73 HB3 ALA 73 9.125 5.140 -9.118 551 2HB ALA 73 HB2 ALA 73 8.782 6.416 -7.952 552 3HB ALA 73 HB1 ALA 73 10.380 6.304 -8.690 553 H THR 74 HN THR 74 9.625 6.399 -5.232 554 HA THR 74 HA THR 74 7.163 5.008 -4.234 555 HB THR 74 HB THR 74 7.920 5.330 -1.941 556 HG1 THR 74 HG1 THR 74 10.020 6.754 -3.162 557 1HG2 THR 74 HG22 THR 74 10.144 4.266 -3.672 558 2HG2 THR 74 HG21 THR 74 10.070 4.081 -1.923 559 3HG2 THR 74 HG23 THR 74 8.838 3.339 -2.941 560 HA PRO 75 HA PRO 75 5.775 5.578 -2.413 561 1HB PRO 75 HB2 PRO 75 3.200 6.597 -2.411 562 2HB PRO 75 HB1 PRO 75 4.429 6.966 -1.194 563 1HG PRO 75 HG2 PRO 75 3.401 8.673 -3.394 564 2HG PRO 75 HG1 PRO 75 4.152 9.136 -1.862 565 1HD PRO 75 HD2 PRO 75 5.403 9.142 -4.413 566 2HD PRO 75 HD1 PRO 75 6.219 9.344 -2.839 567 H THR 76 HN THR 76 4.738 3.745 -3.193 568 HA THR 76 HA THR 76 3.380 3.922 -5.861 569 HB THR 76 HB THR 76 5.229 1.689 -4.960 570 HG1 THR 76 HG1 THR 76 6.354 2.578 -6.912 571 1HG2 THR 76 HG21 THR 76 3.585 2.178 -7.442 572 2HG2 THR 76 HG23 THR 76 4.943 1.057 -7.420 573 3HG2 THR 76 HG22 THR 76 3.547 0.772 -6.381 574 H PHE 77 HN PHE 77 1.473 2.864 -5.939 575 HA PHE 77 HA PHE 77 0.601 1.404 -3.472 576 1HB PHE 77 HB2 PHE 77 -1.026 2.716 -5.670 577 2HB PHE 77 HB1 PHE 77 -1.678 1.965 -4.210 578 HD1 PHE 77 HD2 PHE 77 0.214 4.806 -5.569 579 HD2 PHE 77 HD1 PHE 77 -1.414 3.018 -2.018 580 HE1 PHE 77 HE2 PHE 77 0.588 6.928 -4.332 581 HE2 PHE 77 HE1 PHE 77 -1.041 5.136 -0.779 582 HZ PHE 77 HZ PHE 77 -0.041 7.095 -1.934 583 H GLN 78 HN GLN 78 0.193 -0.767 -3.665 584 HA GLN 78 HA GLN 78 -0.197 -1.894 -6.424 585 1HB GLN 78 HB2 GLN 78 1.317 -3.047 -4.072 586 2HB GLN 78 HB1 GLN 78 0.849 -3.993 -5.479 587 1HG GLN 78 HG2 GLN 78 2.096 -2.398 -6.919 588 2HG GLN 78 HG1 GLN 78 2.635 -1.541 -5.473 589 1HE2 GLN 78 HE22 GLN 78 5.435 -3.740 -5.662 590 2HE2 GLN 78 HE21 GLN 78 4.900 -2.157 -5.951 591 H PHE 79 HN PHE 79 -1.948 -3.158 -6.652 592 HA PHE 79 HA PHE 79 -3.683 -3.531 -4.244 593 1HB PHE 79 HB2 PHE 79 -4.298 -3.537 -7.210 594 2HB PHE 79 HB1 PHE 79 -5.484 -3.850 -5.937 595 HD1 PHE 79 HD2 PHE 79 -3.065 -1.346 -7.238 596 HD2 PHE 79 HD1 PHE 79 -6.409 -2.074 -4.651 597 HE1 PHE 79 HE2 PHE 79 -3.289 1.091 -6.848 598 HE2 PHE 79 HE1 PHE 79 -6.628 0.364 -4.247 599 HZ PHE 79 HZ PHE 79 -5.070 1.944 -5.352 600 H PHE 80 HN PHE 80 -4.201 -5.502 -3.545 601 HA PHE 80 HA PHE 80 -3.443 -7.869 -5.203 602 1HB PHE 80 HB2 PHE 80 -3.092 -7.429 -2.238 603 2HB PHE 80 HB1 PHE 80 -2.973 -9.016 -2.996 604 HD1 PHE 80 HD2 PHE 80 -1.419 -5.674 -2.674 605 HD2 PHE 80 HD1 PHE 80 -1.130 -9.567 -4.486 606 HE1 PHE 80 HE2 PHE 80 0.938 -5.228 -3.279 607 HE2 PHE 80 HE1 PHE 80 1.225 -9.110 -5.090 608 HZ PHE 80 HZ PHE 80 2.261 -6.941 -4.485 609 H LYS 81 HN LYS 81 -4.823 -9.646 -5.064 610 HA LYS 81 HA LYS 81 -7.266 -9.386 -3.403 611 1HB LYS 81 HB2 LYS 81 -7.624 -8.310 -5.730 612 2HB LYS 81 HB1 LYS 81 -7.446 -9.934 -6.382 613 1HG LYS 81 HG2 LYS 81 -9.781 -9.705 -6.106 614 2HG LYS 81 HG1 LYS 81 -9.276 -10.613 -4.690 615 1HD LYS 81 HD2 LYS 81 -9.412 -8.700 -3.276 616 2HD LYS 81 HD1 LYS 81 -9.524 -7.600 -4.647 617 1HE LYS 81 HE2 LYS 81 -11.591 -9.731 -4.098 618 2HE LYS 81 HE1 LYS 81 -11.705 -8.103 -3.428 619 1HZ LYS 81 HZ3 LYS 81 -11.471 -7.281 -5.760 620 2HZ LYS 81 HZ2 LYS 81 -11.658 -8.887 -6.286 621 3HZ LYS 81 HZ1 LYS 81 -12.913 -8.113 -5.441 622 H LYS 82 HN LYS 82 -7.511 -11.354 -2.479 623 HA LYS 82 HA LYS 82 -7.282 -13.662 -2.112 624 1HB LYS 82 HB2 LYS 82 -7.336 -13.756 -5.157 625 2HB LYS 82 HB1 LYS 82 -7.483 -15.148 -4.094 626 1HG LYS 82 HG2 LYS 82 -9.470 -13.851 -3.030 627 2HG LYS 82 HG1 LYS 82 -9.422 -12.880 -4.497 628 1HD LYS 82 HD2 LYS 82 -9.490 -15.087 -5.790 629 2HD LYS 82 HD1 LYS 82 -9.921 -15.845 -4.257 630 1HE LYS 82 HE2 LYS 82 -11.863 -14.336 -4.052 631 2HE LYS 82 HE1 LYS 82 -11.433 -13.575 -5.583 632 1HZ LYS 82 HZ3 LYS 82 -11.470 -16.213 -6.190 633 2HZ LYS 82 HZ2 LYS 82 -12.756 -16.075 -5.089 634 3HZ LYS 82 HZ1 LYS 82 -12.730 -15.120 -6.494 635 H GLY 83 HN GLY 83 -4.923 -11.852 -2.500 636 1HA GLY 83 HA2 GLY 83 -2.611 -12.235 -2.250 637 2HA GLY 83 HA1 GLY 83 -2.883 -13.941 -2.590 638 H GLN 84 HN GLN 84 -4.337 -11.926 -4.911 639 HA GLN 84 HA GLN 84 -2.052 -12.397 -6.793 640 1HB GLN 84 HB2 GLN 84 -4.985 -12.027 -7.465 641 2HB GLN 84 HB1 GLN 84 -3.694 -12.414 -8.597 642 1HG GLN 84 HG2 GLN 84 -4.540 -14.172 -6.277 643 2HG GLN 84 HG1 GLN 84 -5.013 -14.420 -7.956 644 1HE2 GLN 84 HE22 GLN 84 -1.138 -15.186 -6.842 645 2HE2 GLN 84 HE21 GLN 84 -2.100 -14.162 -5.887 646 H LYS 85 HN LYS 85 -1.156 -10.656 -7.809 647 HA LYS 85 HA LYS 85 -2.054 -7.976 -7.014 648 1HB LYS 85 HB2 LYS 85 0.353 -8.568 -7.314 649 2HB LYS 85 HB1 LYS 85 0.054 -8.788 -9.038 650 1HG LYS 85 HG2 LYS 85 -0.776 -6.430 -9.147 651 2HG LYS 85 HG1 LYS 85 -0.322 -6.227 -7.458 652 1HD LYS 85 HD2 LYS 85 1.602 -7.064 -9.638 653 2HD LYS 85 HD1 LYS 85 1.410 -5.404 -9.081 654 1HE LYS 85 HE2 LYS 85 1.877 -6.370 -6.716 655 2HE LYS 85 HE1 LYS 85 2.499 -7.778 -7.576 656 1HZ LYS 85 HZ1 LYS 85 3.407 -5.148 -8.454 657 2HZ LYS 85 HZ3 LYS 85 4.016 -5.733 -6.983 658 3HZ LYS 85 HZ2 LYS 85 4.240 -6.628 -8.409 659 H VAL 86 HN VAL 86 -3.584 -6.877 -8.104 660 HA VAL 86 HA VAL 86 -4.084 -7.564 -10.977 661 HB VAL 86 HB VAL 86 -6.484 -7.049 -10.523 662 1HG1 VAL 86 HG12 VAL 86 -5.423 -9.388 -10.396 663 2HG1 VAL 86 HG11 VAL 86 -5.477 -9.200 -8.643 664 3HG1 VAL 86 HG13 VAL 86 -6.972 -9.186 -9.579 665 1HG2 VAL 86 HG22 VAL 86 -6.061 -5.638 -8.501 666 2HG2 VAL 86 HG21 VAL 86 -7.247 -6.908 -8.205 667 3HG2 VAL 86 HG23 VAL 86 -5.593 -7.093 -7.619 668 H GLY 87 HN GLY 87 -2.679 -5.232 -9.271 669 1HA GLY 87 HA2 GLY 87 -3.125 -3.223 -11.258 670 2HA GLY 87 HA1 GLY 87 -4.149 -2.863 -9.872 671 H GLU 88 HN GLU 88 -1.905 -1.316 -10.902 672 HA GLU 88 HA GLU 88 -0.589 -0.731 -8.406 673 1HB GLU 88 HB2 GLU 88 0.842 -2.592 -8.895 674 2HB GLU 88 HB1 GLU 88 1.022 -2.093 -10.574 675 1HG GLU 88 HG2 GLU 88 2.278 -0.108 -9.890 676 2HG GLU 88 HG1 GLU 88 1.993 -0.475 -8.190 677 H PHE 89 HN PHE 89 0.501 1.275 -8.476 678 HA PHE 89 HA PHE 89 1.092 2.573 -10.994 679 1HB PHE 89 HB2 PHE 89 -0.514 4.337 -10.992 680 2HB PHE 89 HB1 PHE 89 -1.411 2.831 -10.874 681 HD1 PHE 89 HD1 PHE 89 -0.059 5.668 -8.885 682 HD2 PHE 89 HD2 PHE 89 -2.868 2.424 -9.028 683 HE1 PHE 89 HE1 PHE 89 -1.200 6.576 -6.877 684 HE2 PHE 89 HE2 PHE 89 -4.005 3.323 -7.011 685 HZ PHE 89 HZ PHE 89 -3.183 5.415 -5.951 686 H SER 90 HN SER 90 1.967 4.795 -10.622 687 HA SER 90 HA SER 90 2.976 5.147 -7.816 688 1HB SER 90 HB2 SER 90 5.082 5.969 -8.782 689 2HB SER 90 HB1 SER 90 4.769 4.301 -9.277 690 HG SER 90 HG SER 90 4.131 6.637 -10.775 691 H GLY 91 HN GLY 91 3.595 7.347 -7.286 692 1HA GLY 91 HA2 GLY 91 3.598 9.738 -8.021 693 2HA GLY 91 HA1 GLY 91 2.089 9.414 -8.867 694 H ALA 92 HN ALA 92 2.871 11.219 -6.508 695 HA ALA 92 HA ALA 92 1.379 10.155 -4.250 696 1HB ALA 92 HB1 ALA 92 2.581 12.837 -4.934 697 2HB ALA 92 HB3 ALA 92 1.652 12.590 -3.454 698 3HB ALA 92 HB2 ALA 92 3.131 11.666 -3.737 699 H ASN 93 HN ASN 93 -0.589 9.773 -5.865 700 HA ASN 93 HA ASN 93 -2.368 12.201 -5.782 701 1HB ASN 93 HB2 ASN 93 -1.786 11.297 -8.096 702 2HB ASN 93 HB1 ASN 93 -2.652 9.828 -7.648 703 1HD2 ASN 93 HD22 ASN 93 -5.382 12.720 -7.206 704 2HD2 ASN 93 HD21 ASN 93 -4.157 12.410 -6.074 705 H LYS 94 HN LYS 94 -3.238 11.797 -3.762 706 HA LYS 94 HA LYS 94 -3.947 9.197 -2.773 707 1HB LYS 94 HB2 LYS 94 -5.204 10.542 -1.068 708 2HB LYS 94 HB1 LYS 94 -3.493 10.914 -1.209 709 1HG LYS 94 HG2 LYS 94 -5.116 12.567 -3.030 710 2HG LYS 94 HG1 LYS 94 -5.632 12.759 -1.360 711 1HD LYS 94 HD2 LYS 94 -3.260 13.200 -0.714 712 2HD LYS 94 HD1 LYS 94 -2.813 13.120 -2.421 713 1HE LYS 94 HE2 LYS 94 -4.397 14.962 -2.902 714 2HE LYS 94 HE1 LYS 94 -4.791 15.055 -1.185 715 1HZ LYS 94 HZ1 LYS 94 -1.965 15.158 -1.831 716 2HZ LYS 94 HZ3 LYS 94 -2.870 16.496 -2.348 717 3HZ LYS 94 HZ2 LYS 94 -2.858 16.066 -0.705 718 H GLU 95 HN GLU 95 -5.908 11.705 -4.393 719 HA GLU 95 HA GLU 95 -8.443 10.492 -3.896 720 1HB GLU 95 HB2 GLU 95 -7.549 12.197 -6.242 721 2HB GLU 95 HB1 GLU 95 -9.223 11.856 -5.808 722 1HG GLU 95 HG2 GLU 95 -7.244 13.183 -3.935 723 2HG GLU 95 HG1 GLU 95 -8.377 14.072 -4.953 724 H LYS 96 HN LYS 96 -5.933 9.841 -6.212 725 HA LYS 96 HA LYS 96 -7.441 8.322 -8.092 726 1HB LYS 96 HB2 LYS 96 -5.032 9.252 -8.176 727 2HB LYS 96 HB1 LYS 96 -4.566 7.766 -7.378 728 1HG LYS 96 HG2 LYS 96 -5.208 6.415 -9.191 729 2HG LYS 96 HG1 LYS 96 -6.241 7.662 -9.889 730 1HD LYS 96 HD2 LYS 96 -4.347 7.702 -11.281 731 2HD LYS 96 HD1 LYS 96 -4.039 9.032 -10.169 732 1HE LYS 96 HE2 LYS 96 -2.026 7.703 -10.384 733 2HE LYS 96 HE1 LYS 96 -2.692 7.476 -8.768 734 1HZ LYS 96 HZ3 LYS 96 -3.737 5.646 -10.726 735 2HZ LYS 96 HZ2 LYS 96 -2.063 5.488 -10.484 736 3HZ LYS 96 HZ1 LYS 96 -3.132 5.337 -9.173 737 H LEU 97 HN LEU 97 -5.946 7.465 -5.012 738 HA LEU 97 HA LEU 97 -6.085 4.630 -5.175 739 1HB LEU 97 HB2 LEU 97 -6.462 6.554 -2.861 740 2HB LEU 97 HB1 LEU 97 -6.439 4.811 -2.635 741 HG LEU 97 HG LEU 97 -4.182 6.220 -4.048 742 1HD1 LEU 97 HD11 LEU 97 -4.588 7.225 -1.747 743 2HD1 LEU 97 HD13 LEU 97 -4.278 5.626 -1.080 744 3HD1 LEU 97 HD12 LEU 97 -3.009 6.476 -1.956 745 1HD2 LEU 97 HD22 LEU 97 -4.766 3.515 -3.652 746 2HD2 LEU 97 HD21 LEU 97 -3.175 4.166 -4.003 747 3HD2 LEU 97 HD23 LEU 97 -3.649 3.858 -2.339 748 H GLU 98 HN GLU 98 -8.418 7.096 -4.331 749 HA GLU 98 HA GLU 98 -10.525 5.405 -3.428 750 1HB GLU 98 HB2 GLU 98 -10.454 7.888 -3.173 751 2HB GLU 98 HB1 GLU 98 -10.780 8.045 -4.897 752 1HG GLU 98 HG2 GLU 98 -12.601 6.445 -3.098 753 2HG GLU 98 HG1 GLU 98 -12.795 8.187 -3.286 754 H ALA 99 HN ALA 99 -9.739 6.569 -6.701 755 HA ALA 99 HA ALA 99 -12.049 5.377 -7.927 756 1HB ALA 99 HB1 ALA 99 -10.575 7.192 -8.923 757 2HB ALA 99 HB3 ALA 99 -9.397 5.928 -9.280 758 3HB ALA 99 HB2 ALA 99 -10.995 5.879 -10.025 759 H THR 100 HN THR 100 -8.691 4.206 -7.565 760 HA THR 100 HA THR 100 -9.151 1.792 -9.052 761 HB THR 100 HB THR 100 -7.132 2.165 -6.823 762 HG1 THR 100 HG1 THR 100 -6.475 2.572 -9.490 763 1HG2 THR 100 HG22 THR 100 -7.288 0.403 -9.282 764 2HG2 THR 100 HG21 THR 100 -5.833 0.591 -8.305 765 3HG2 THR 100 HG23 THR 100 -7.285 -0.119 -7.598 766 H ILE 101 HN ILE 101 -9.442 2.579 -5.605 767 HA ILE 101 HA ILE 101 -10.017 -0.075 -4.657 768 HB ILE 101 HB ILE 101 -10.900 2.663 -3.665 769 1HG1 ILE 101 HG12 ILE 101 -8.932 0.753 -2.385 770 2HG1 ILE 101 HG11 ILE 101 -8.419 1.898 -3.623 771 1HG2 ILE 101 HG22 ILE 101 -11.333 -0.098 -2.505 772 2HG2 ILE 101 HG21 ILE 101 -11.366 1.356 -1.508 773 3HG2 ILE 101 HG23 ILE 101 -12.536 1.154 -2.813 774 1HD1 ILE 101 HD11 ILE 101 -9.353 3.756 -2.255 775 2HD1 ILE 101 HD13 ILE 101 -9.781 2.593 -1.002 776 3HD1 ILE 101 HD12 ILE 101 -8.087 2.877 -1.401 777 H ASN 102 HN ASN 102 -12.134 2.589 -5.700 778 HA ASN 102 HA ASN 102 -14.606 1.190 -5.507 779 1HB ASN 102 HB2 ASN 102 -14.420 3.649 -5.829 780 2HB ASN 102 HB1 ASN 102 -13.810 3.375 -7.463 781 1HD2 ASN 102 HD22 ASN 102 -17.777 3.308 -6.804 782 2HD2 ASN 102 HD21 ASN 102 -16.660 3.780 -5.616 783 H GLU 103 HN GLU 103 -12.158 1.351 -8.021 784 HA GLU 103 HA GLU 103 -13.675 0.072 -10.086 785 1HB GLU 103 HB2 GLU 103 -11.498 1.390 -10.311 786 2HB GLU 103 HB1 GLU 103 -10.677 -0.045 -9.706 787 1HG GLU 103 HG2 GLU 103 -10.590 -0.218 -12.091 788 2HG GLU 103 HG1 GLU 103 -11.829 -1.358 -11.566 789 H LEU 104 HN LEU 104 -11.483 -1.193 -7.568 790 HA LEU 104 HA LEU 104 -12.037 -3.978 -8.477 791 1HB LEU 104 HB2 LEU 104 -10.065 -2.894 -6.455 792 2HB LEU 104 HB1 LEU 104 -10.222 -4.591 -6.891 793 HG LEU 104 HG LEU 104 -9.528 -2.353 -8.819 794 1HD1 LEU 104 HD11 LEU 104 -7.820 -4.465 -7.470 795 2HD1 LEU 104 HD13 LEU 104 -7.272 -3.455 -8.809 796 3HD1 LEU 104 HD12 LEU 104 -7.700 -2.716 -7.265 797 1HD2 LEU 104 HD21 LEU 104 -9.943 -5.330 -9.105 798 2HD2 LEU 104 HD23 LEU 104 -10.486 -4.028 -10.165 799 3HD2 LEU 104 HD22 LEU 104 -8.793 -4.510 -10.161 800 H VAL 105 HN VAL 105 -13.493 -1.873 -6.343 801 HA VAL 105 HA VAL 105 -13.732 -3.543 -4.006 802 HB VAL 105 HB VAL 105 -14.285 -1.059 -4.143 803 1HG1 VAL 105 HG13 VAL 105 -15.800 -1.517 -6.224 804 2HG1 VAL 105 HG12 VAL 105 -17.024 -1.949 -5.036 805 3HG1 VAL 105 HG11 VAL 105 -16.330 -0.327 -5.039 806 1HG2 VAL 105 HG23 VAL 105 -16.272 -3.008 -2.943 807 2HG2 VAL 105 HG22 VAL 105 -14.840 -2.337 -2.160 808 3HG2 VAL 105 HG21 VAL 105 -16.209 -1.291 -2.537 809 HA PRO 59 HA PRO 106 13.781 14.159 -14.267 810 1HB PRO 59 HB2 PRO 106 15.903 12.786 -13.274 811 2HB PRO 59 HB1 PRO 106 15.936 13.529 -14.887 812 1HG PRO 59 HG2 PRO 106 17.081 14.550 -12.319 813 2HG PRO 59 HG1 PRO 106 17.806 14.518 -13.939 814 1HD PRO 59 HD2 PRO 106 16.631 16.766 -12.887 815 2HD PRO 59 HD1 PRO 106 16.671 16.427 -14.632 816 H ALA 60 HN ALA 107 14.623 15.839 -11.392 817 HA ALA 60 HA ALA 107 13.675 13.641 -9.619 818 1HB ALA 60 HB3 ALA 107 15.718 14.903 -8.992 819 2HB ALA 60 HB2 ALA 107 14.767 16.387 -8.939 820 3HB ALA 60 HB1 ALA 107 14.439 15.088 -7.792 821 H THR 61 HN THR 108 11.561 13.575 -9.077 822 HA THR 61 HA THR 108 9.916 16.076 -9.307 823 HB THR 61 HB THR 108 8.969 13.195 -9.230 824 HG1 THR 61 HG1 THR 108 8.972 13.273 -11.419 825 1HG2 THR 61 HG23 THR 108 7.359 15.044 -8.633 826 2HG2 THR 61 HG22 THR 108 7.605 15.696 -10.250 827 3HG2 THR 61 HG21 THR 108 6.889 14.097 -10.042 828 H LEU 62 HN LEU 109 9.083 16.914 -7.435 829 HA LEU 62 HA LEU 109 9.772 15.848 -4.868 830 1HB LEU 62 HB2 LEU 109 7.711 17.903 -5.704 831 2HB LEU 62 HB1 LEU 109 8.050 17.522 -4.021 832 HG LEU 62 HG LEU 109 10.212 18.368 -5.969 833 1HD1 LEU 62 HD11 LEU 109 8.515 20.147 -5.830 834 2HD1 LEU 62 HD13 LEU 109 8.601 20.101 -4.069 835 3HD1 LEU 62 HD12 LEU 109 9.997 20.635 -5.008 836 1HD2 LEU 62 HD23 LEU 109 10.019 18.010 -2.972 837 2HD2 LEU 62 HD22 LEU 109 11.256 17.422 -4.079 838 3HD2 LEU 62 HD21 LEU 109 11.198 19.127 -3.655 839 H LYS 63 HN LYS 110 6.997 15.394 -6.945 840 HA LYS 63 HA LYS 110 5.225 14.269 -4.983 841 1HB LYS 63 HB2 LYS 110 5.365 13.758 -7.971 842 2HB LYS 63 HB1 LYS 110 3.998 13.373 -6.931 843 1HG LYS 63 HG2 LYS 110 5.097 16.164 -7.381 844 2HG LYS 63 HG1 LYS 110 3.674 15.500 -8.182 845 1HD LYS 63 HD2 LYS 110 2.825 15.050 -5.743 846 2HD LYS 63 HD1 LYS 110 4.043 16.239 -5.283 847 1HE LYS 63 HE2 LYS 110 1.937 17.397 -5.637 848 2HE LYS 63 HE1 LYS 110 3.046 17.832 -6.938 849 1HZ LYS 63 HZ3 LYS 110 1.181 15.567 -7.238 850 2HZ LYS 63 HZ2 LYS 110 0.665 17.157 -7.537 851 3HZ LYS 63 HZ1 LYS 110 1.938 16.488 -8.443 852 H ILE 64 HN ILE 111 8.055 13.062 -6.497 853 HA ILE 64 HA ILE 111 7.467 10.279 -5.509 854 HB ILE 64 HB ILE 111 8.849 11.158 -8.068 855 1HG1 ILE 64 HG12 ILE 111 6.423 11.020 -8.265 856 2HG1 ILE 64 HG11 ILE 111 7.164 9.692 -9.146 857 1HG2 ILE 64 HG22 ILE 111 8.827 8.469 -6.697 858 2HG2 ILE 64 HG21 ILE 111 9.119 8.643 -8.428 859 3HG2 ILE 64 HG23 ILE 111 10.215 9.394 -7.271 860 1HD1 ILE 64 HD13 ILE 111 6.806 8.453 -6.775 861 2HD1 ILE 64 HD12 ILE 111 5.505 9.635 -6.673 862 3HD1 ILE 64 HD11 ILE 111 5.557 8.496 -8.016 863 H CYS 65 HN CYS 112 9.202 9.308 -4.357 864 HA CYS 65 HA CYS 112 11.560 11.039 -3.833 865 1HB CYS 65 HB2 CYS 112 10.858 8.387 -2.532 866 2HB CYS 65 HB1 CYS 112 12.084 9.523 -1.995 867 H SER 66 HN SER 113 13.483 10.595 -4.849 868 HA SER 66 HA SER 113 13.589 8.401 -6.775 869 1HB SER 66 HB2 SER 113 15.656 10.460 -5.954 870 2HB SER 66 HB1 SER 113 15.829 9.350 -7.311 871 HG SER 66 HG SER 113 14.833 10.907 -8.339 872 H TRP 67 HN TRP 114 14.720 6.483 -6.595 873 HA TRP 67 HA TRP 114 15.638 5.636 -3.968 874 1HB TRP 67 HB2 TRP 114 15.747 4.317 -6.695 875 2HB TRP 67 HB1 TRP 114 16.340 3.545 -5.221 876 HD1 TRP 67 HD1 TRP 114 13.127 5.491 -6.147 877 HE1 TRP 67 HE1 TRP 114 11.120 4.220 -5.168 878 HE3 TRP 67 HE3 TRP 114 15.521 1.532 -4.006 879 HZ2 TRP 67 HZ2 TRP 114 10.620 1.877 -3.655 880 HZ3 TRP 67 HZ3 TRP 114 14.255 -0.206 -2.803 881 HH2 TRP 67 HH2 TRP 114 11.791 -0.050 -2.641 882 H ASN 68 HN ASN 115 17.036 7.387 -6.462 883 HA ASN 68 HA ASN 115 19.707 6.497 -6.569 884 1HB ASN 68 HB2 ASN 115 18.546 9.299 -6.662 885 2HB ASN 68 HB1 ASN 115 20.240 8.938 -7.008 886 1HD2 ASN 68 HD22 ASN 115 18.103 6.714 -9.597 887 2HD2 ASN 68 HD21 ASN 115 18.197 6.353 -7.941 888 H VAL 69 HN VAL 116 17.991 7.446 -3.835 889 HA VAL 69 HA VAL 116 19.536 9.070 -2.248 890 HB VAL 69 HB VAL 116 18.651 6.385 -1.169 891 1HG1 VAL 69 HG12 VAL 116 19.822 8.143 0.255 892 2HG1 VAL 69 HG11 VAL 116 18.400 9.158 0.015 893 3HG1 VAL 69 HG13 VAL 116 18.247 7.609 0.845 894 1HG2 VAL 69 HG23 VAL 116 16.949 8.693 -2.119 895 2HG2 VAL 69 HG22 VAL 116 16.759 6.974 -2.462 896 3HG2 VAL 69 HG21 VAL 116 16.387 7.595 -0.857 897 H ASP 70 HN ASP 117 21.539 8.991 -1.250 898 HA ASP 70 HA ASP 117 23.557 7.259 -2.260 899 1HB ASP 70 HB2 ASP 117 23.451 8.937 0.266 900 2HB ASP 70 HB1 ASP 117 24.897 8.076 -0.260 901 H GLY 71 HN GLY 118 21.535 7.068 0.641 902 1HA GLY 71 HA2 GLY 118 21.620 4.240 0.803 903 2HA GLY 71 HA1 GLY 118 22.871 4.868 1.876 No H/Q in entry = 903 Start of MODEL 30 1 1H MET 1 HT3 MET 1 -8.101 -2.859 7.979 2 2H MET 1 HT2 MET 1 -8.983 -3.331 9.353 3 3H MET 1 HT1 MET 1 -9.505 -2.015 8.414 4 HA MET 1 HA MET 1 -8.353 -0.640 9.687 5 1HB MET 1 HB2 MET 1 -7.248 -3.178 10.938 6 2HB MET 1 HB1 MET 1 -7.040 -1.559 11.605 7 1HG MET 1 HG2 MET 1 -9.727 -2.863 11.081 8 2HG MET 1 HG1 MET 1 -8.938 -2.802 12.656 9 1HE MET 1 HE1 MET 1 -10.886 -1.700 13.788 10 2HE MET 1 HE3 MET 1 -11.752 -0.271 13.204 11 3HE MET 1 HE2 MET 1 -11.811 -1.777 12.290 12 H VAL 2 HN VAL 2 -5.743 -0.511 10.574 13 HA VAL 2 HA VAL 2 -4.241 -0.630 7.994 14 HB VAL 2 HB VAL 2 -3.689 0.841 10.593 15 1HG1 VAL 2 HG12 VAL 2 -2.190 0.722 7.963 16 2HG1 VAL 2 HG11 VAL 2 -1.948 1.998 9.155 17 3HG1 VAL 2 HG13 VAL 2 -1.571 0.325 9.568 18 1HG2 VAL 2 HG21 VAL 2 -5.591 1.696 9.234 19 2HG2 VAL 2 HG23 VAL 2 -4.237 2.825 9.243 20 3HG2 VAL 2 HG22 VAL 2 -4.523 1.803 7.835 21 H LYS 3 HN LYS 3 -2.478 -2.003 7.760 22 HA LYS 3 HA LYS 3 -1.463 -3.450 10.191 23 1HB LYS 3 HB2 LYS 3 -2.964 -4.894 8.762 24 2HB LYS 3 HB1 LYS 3 -1.870 -4.620 7.411 25 1HG LYS 3 HG2 LYS 3 -1.111 -6.673 8.250 26 2HG LYS 3 HG1 LYS 3 -0.025 -5.534 9.035 27 1HD LYS 3 HD2 LYS 3 -1.409 -5.580 11.066 28 2HD LYS 3 HD1 LYS 3 -2.551 -6.666 10.276 29 1HE LYS 3 HE2 LYS 3 -1.090 -8.017 11.642 30 2HE LYS 3 HE1 LYS 3 -0.648 -8.294 9.959 31 1HZ LYS 3 HZ3 LYS 3 0.697 -6.286 11.674 32 2HZ LYS 3 HZ2 LYS 3 1.247 -7.886 11.519 33 3HZ LYS 3 HZ1 LYS 3 1.204 -6.865 10.162 34 H GLN 4 HN GLN 4 0.727 -3.275 10.379 35 HA GLN 4 HA GLN 4 2.243 -2.080 8.105 36 1HB GLN 4 HB2 GLN 4 2.445 -1.017 10.346 37 2HB GLN 4 HB1 GLN 4 3.063 -2.537 10.994 38 1HG GLN 4 HG2 GLN 4 4.972 -2.438 9.419 39 2HG GLN 4 HG1 GLN 4 4.353 -0.918 8.773 40 1HE2 GLN 4 HE22 GLN 4 6.445 0.657 11.162 41 2HE2 GLN 4 HE21 GLN 4 6.168 0.359 9.514 42 H ILE 5 HN ILE 5 3.422 -3.433 6.853 43 HA ILE 5 HA ILE 5 4.056 -6.176 7.871 44 HB ILE 5 HB ILE 5 4.382 -5.060 5.076 45 1HG1 ILE 5 HG12 ILE 5 2.041 -4.793 5.652 46 2HG1 ILE 5 HG11 ILE 5 2.198 -6.190 4.593 47 1HG2 ILE 5 HG22 ILE 5 5.539 -7.210 5.843 48 2HG2 ILE 5 HG21 ILE 5 3.926 -7.912 5.954 49 3HG2 ILE 5 HG23 ILE 5 4.523 -7.317 4.413 50 1HD1 ILE 5 HD13 ILE 5 2.318 -7.592 6.755 51 2HD1 ILE 5 HD12 ILE 5 1.728 -6.149 7.574 52 3HD1 ILE 5 HD11 ILE 5 0.752 -6.914 6.321 53 H GLU 6 HN GLU 6 6.132 -6.237 8.804 54 HA GLU 6 HA GLU 6 8.185 -4.341 7.762 55 1HB GLU 6 HB2 GLU 6 8.219 -6.134 10.203 56 2HB GLU 6 HB1 GLU 6 9.493 -5.001 9.749 57 1HG GLU 6 HG2 GLU 6 6.618 -4.181 10.231 58 2HG GLU 6 HG1 GLU 6 7.882 -4.090 11.456 59 H SER 7 HN SER 7 7.168 -7.402 7.042 60 HA SER 7 HA SER 7 9.772 -8.031 5.794 61 1HB SER 7 HB2 SER 7 9.833 -10.324 6.747 62 2HB SER 7 HB1 SER 7 10.024 -9.084 7.989 63 HG SER 7 HG SER 7 8.244 -9.781 8.856 64 H LYS 8 HN LYS 8 9.608 -9.763 4.210 65 HA LYS 8 HA LYS 8 7.160 -9.761 2.710 66 1HB LYS 8 HB2 LYS 8 9.496 -10.291 1.831 67 2HB LYS 8 HB1 LYS 8 9.325 -11.875 2.595 68 1HG LYS 8 HG2 LYS 8 7.094 -12.050 1.288 69 2HG LYS 8 HG1 LYS 8 7.720 -10.711 0.323 70 1HD LYS 8 HD2 LYS 8 9.097 -13.378 0.751 71 2HD LYS 8 HD1 LYS 8 8.281 -12.865 -0.726 72 1HE LYS 8 HE2 LYS 8 9.861 -10.869 -0.745 73 2HE LYS 8 HE1 LYS 8 10.777 -11.697 0.512 74 1HZ LYS 8 HZ2 LYS 8 10.305 -13.572 -1.456 75 2HZ LYS 8 HZ1 LYS 8 10.771 -12.158 -2.277 76 3HZ LYS 8 HZ3 LYS 8 11.783 -12.819 -1.088 77 H THR 9 HN THR 9 8.527 -11.875 5.159 78 HA THR 9 HA THR 9 6.829 -14.101 4.843 79 HB THR 9 HB THR 9 7.845 -12.971 7.463 80 HG1 THR 9 HG1 THR 9 9.600 -13.277 6.200 81 1HG2 THR 9 HG22 THR 9 6.907 -15.711 6.588 82 2HG2 THR 9 HG21 THR 9 7.836 -15.436 8.062 83 3HG2 THR 9 HG23 THR 9 6.242 -14.705 7.876 84 H ALA 10 HN ALA 10 6.326 -11.176 6.821 85 HA ALA 10 HA ALA 10 3.672 -11.955 7.647 86 1HB ALA 10 HB3 ALA 10 5.198 -9.346 7.649 87 2HB ALA 10 HB2 ALA 10 3.492 -9.394 8.096 88 3HB ALA 10 HB1 ALA 10 4.673 -10.318 9.023 89 H PHE 11 HN PHE 11 4.979 -10.316 4.820 90 HA PHE 11 HA PHE 11 2.597 -9.084 3.863 91 1HB PHE 11 HB2 PHE 11 4.948 -8.867 2.870 92 2HB PHE 11 HB1 PHE 11 4.691 -10.430 2.121 93 HD1 PHE 11 HD1 PHE 11 2.906 -7.160 2.541 94 HD2 PHE 11 HD2 PHE 11 3.816 -10.463 -0.053 95 HE1 PHE 11 HE1 PHE 11 1.659 -6.062 0.705 96 HE2 PHE 11 HE2 PHE 11 2.571 -9.359 -1.891 97 HZ PHE 11 HZ PHE 11 1.490 -7.164 -1.505 98 H GLN 12 HN GLN 12 3.923 -12.328 3.302 99 HA GLN 12 HA GLN 12 1.800 -13.255 1.608 100 1HB GLN 12 HB2 GLN 12 3.581 -14.863 3.474 101 2HB GLN 12 HB1 GLN 12 2.702 -15.480 2.076 102 1HG GLN 12 HG2 GLN 12 4.860 -13.349 1.949 103 2HG GLN 12 HG1 GLN 12 5.106 -15.054 1.568 104 1HE2 GLN 12 HE22 GLN 12 3.989 -12.824 -1.419 105 2HE2 GLN 12 HE21 GLN 12 4.962 -12.383 -0.101 106 H GLU 13 HN GLU 13 2.365 -13.463 5.109 107 HA GLU 13 HA GLU 13 0.026 -14.997 5.732 108 1HB GLU 13 HB2 GLU 13 1.637 -13.029 7.394 109 2HB GLU 13 HB1 GLU 13 0.397 -14.080 8.056 110 1HG GLU 13 HG2 GLU 13 2.834 -15.066 6.548 111 2HG GLU 13 HG1 GLU 13 2.704 -15.017 8.307 112 H ALA 14 HN ALA 14 0.586 -11.533 5.380 113 HA ALA 14 HA ALA 14 -1.967 -10.713 6.410 114 1HB ALA 14 HB2 ALA 14 0.122 -9.273 6.018 115 2HB ALA 14 HB1 ALA 14 -0.372 -9.221 4.325 116 3HB ALA 14 HB3 ALA 14 -1.431 -8.562 5.572 117 H LEU 15 HN LEU 15 -0.794 -11.413 3.116 118 HA LEU 15 HA LEU 15 -3.198 -10.712 1.757 119 1HB LEU 15 HB2 LEU 15 -1.070 -12.766 1.089 120 2HB LEU 15 HB1 LEU 15 -2.347 -12.279 -0.027 121 HG LEU 15 HG LEU 15 -0.408 -10.324 1.247 122 1HD1 LEU 15 HD13 LEU 15 -0.206 -11.952 -1.275 123 2HD1 LEU 15 HD12 LEU 15 0.513 -10.342 -1.213 124 3HD1 LEU 15 HD11 LEU 15 1.036 -11.583 -0.079 125 1HD2 LEU 15 HD21 LEU 15 -2.562 -10.134 -0.858 126 2HD2 LEU 15 HD23 LEU 15 -2.230 -9.053 0.493 127 3HD2 LEU 15 HD22 LEU 15 -1.186 -9.034 -0.923 128 H ASP 16 HN ASP 16 -2.111 -13.723 3.279 129 HA ASP 16 HA ASP 16 -4.395 -15.273 2.465 130 1HB ASP 16 HB2 ASP 16 -2.165 -16.180 3.329 131 2HB ASP 16 HB1 ASP 16 -2.728 -15.746 4.947 132 H ALA 17 HN ALA 17 -3.617 -13.326 5.291 133 HA ALA 17 HA ALA 17 -5.949 -14.021 6.823 134 1HB ALA 17 HB1 ALA 17 -4.122 -11.605 6.908 135 2HB ALA 17 HB3 ALA 17 -5.374 -11.937 8.104 136 3HB ALA 17 HB2 ALA 17 -4.016 -13.047 7.920 137 H ALA 18 HN ALA 18 -5.250 -11.509 4.445 138 HA ALA 18 HA ALA 18 -7.551 -9.902 4.889 139 1HB ALA 18 HB2 ALA 18 -5.836 -10.377 2.454 140 2HB ALA 18 HB1 ALA 18 -7.214 -9.277 2.420 141 3HB ALA 18 HB3 ALA 18 -5.869 -8.971 3.519 142 H GLY 19 HN GLY 19 -7.260 -13.029 3.371 143 1HA GLY 19 HA2 GLY 19 -8.975 -14.425 2.552 144 2HA GLY 19 HA1 GLY 19 -10.130 -13.278 3.233 145 H ASP 20 HN ASP 20 -11.511 -13.066 1.485 146 HA ASP 20 HA ASP 20 -10.426 -12.535 -1.210 147 1HB ASP 20 HB2 ASP 20 -13.273 -12.785 -0.202 148 2HB ASP 20 HB1 ASP 20 -12.804 -12.633 -1.898 149 H LYS 21 HN LYS 21 -10.836 -10.602 1.394 150 HA LYS 21 HA LYS 21 -12.342 -8.392 0.247 151 1HB LYS 21 HB2 LYS 21 -10.414 -8.556 2.583 152 2HB LYS 21 HB1 LYS 21 -11.316 -7.101 2.162 153 1HG LYS 21 HG2 LYS 21 -13.419 -8.631 2.292 154 2HG LYS 21 HG1 LYS 21 -12.366 -9.750 3.156 155 1HD LYS 21 HD2 LYS 21 -11.762 -7.773 4.671 156 2HD LYS 21 HD1 LYS 21 -13.129 -6.934 3.938 157 1HE LYS 21 HE2 LYS 21 -13.311 -9.635 5.303 158 2HE LYS 21 HE1 LYS 21 -13.743 -8.099 6.058 159 1HZ LYS 21 HZ1 LYS 21 -14.949 -9.146 3.556 160 2HZ LYS 21 HZ3 LYS 21 -15.658 -9.271 5.091 161 3HZ LYS 21 HZ2 LYS 21 -15.410 -7.741 4.394 162 H LEU 22 HN LEU 22 -11.446 -6.367 -0.540 163 HA LEU 22 HA LEU 22 -9.217 -6.639 -2.268 164 1HB LEU 22 HB2 LEU 22 -11.208 -4.765 -1.886 165 2HB LEU 22 HB1 LEU 22 -9.803 -3.898 -1.292 166 HG LEU 22 HG LEU 22 -10.160 -5.103 -4.042 167 1HD1 LEU 22 HD13 LEU 22 -10.468 -2.387 -2.889 168 2HD1 LEU 22 HD12 LEU 22 -9.459 -2.427 -4.326 169 3HD1 LEU 22 HD11 LEU 22 -11.103 -3.056 -4.388 170 1HD2 LEU 22 HD23 LEU 22 -7.726 -3.963 -2.667 171 2HD2 LEU 22 HD22 LEU 22 -7.856 -5.446 -3.616 172 3HD2 LEU 22 HD21 LEU 22 -7.892 -3.886 -4.415 173 H VAL 23 HN VAL 23 -7.044 -5.650 -2.044 174 HA VAL 23 HA VAL 23 -6.226 -4.946 0.723 175 HB VAL 23 HB VAL 23 -4.858 -7.069 -0.961 176 1HG1 VAL 23 HG12 VAL 23 -4.192 -5.703 1.644 177 2HG1 VAL 23 HG11 VAL 23 -3.631 -7.345 1.331 178 3HG1 VAL 23 HG13 VAL 23 -3.141 -6.029 0.267 179 1HG2 VAL 23 HG21 VAL 23 -6.494 -7.231 1.584 180 2HG2 VAL 23 HG23 VAL 23 -6.928 -7.903 0.014 181 3HG2 VAL 23 HG22 VAL 23 -5.565 -8.569 0.909 182 H VAL 24 HN VAL 24 -5.340 -3.000 0.455 183 HA VAL 24 HA VAL 24 -3.799 -2.422 -2.035 184 HB VAL 24 HB VAL 24 -4.785 -0.518 0.119 185 1HG1 VAL 24 HG13 VAL 24 -2.809 0.207 -1.274 186 2HG1 VAL 24 HG12 VAL 24 -3.824 0.027 -2.704 187 3HG1 VAL 24 HG11 VAL 24 -4.236 1.224 -1.477 188 1HG2 VAL 24 HG21 VAL 24 -5.987 -1.429 -2.505 189 2HG2 VAL 24 HG23 VAL 24 -6.742 -1.391 -0.911 190 3HG2 VAL 24 HG22 VAL 24 -6.423 0.116 -1.770 191 H VAL 25 HN VAL 25 -1.607 -1.841 -1.867 192 HA VAL 25 HA VAL 25 -0.374 -1.996 0.873 193 HB VAL 25 HB VAL 25 0.811 -3.007 -1.729 194 1HG1 VAL 25 HG11 VAL 25 2.391 -2.277 0.102 195 2HG1 VAL 25 HG13 VAL 25 1.665 -3.517 1.124 196 3HG1 VAL 25 HG12 VAL 25 2.525 -3.976 -0.345 197 1HG2 VAL 25 HG21 VAL 25 -1.210 -4.300 -0.913 198 2HG2 VAL 25 HG23 VAL 25 0.279 -5.236 -0.984 199 3HG2 VAL 25 HG22 VAL 25 -0.313 -4.637 0.564 200 H ASP 26 HN ASP 26 0.670 -0.136 1.382 201 HA ASP 26 HA ASP 26 1.426 1.750 -0.809 202 1HB ASP 26 HB2 ASP 26 0.026 2.632 1.031 203 2HB ASP 26 HB1 ASP 26 1.264 2.175 2.198 204 H PHE 27 HN PHE 27 3.515 1.716 -1.461 205 HA PHE 27 HA PHE 27 5.619 0.596 0.334 206 1HB PHE 27 HB2 PHE 27 5.501 1.166 -2.638 207 2HB PHE 27 HB1 PHE 27 7.030 0.829 -1.817 208 HD1 PHE 27 HD1 PHE 27 7.335 -1.330 -0.587 209 HD2 PHE 27 HD2 PHE 27 3.951 -0.589 -3.129 210 HE1 PHE 27 HE1 PHE 27 6.887 -3.765 -0.699 211 HE2 PHE 27 HE2 PHE 27 3.505 -3.019 -3.213 212 HZ PHE 27 HZ PHE 27 4.965 -4.609 -2.012 213 H SER 28 HN SER 28 4.386 3.326 0.603 214 HA SER 28 HA SER 28 6.190 5.306 -0.318 215 1HB SER 28 HB2 SER 28 4.584 5.309 2.245 216 2HB SER 28 HB1 SER 28 5.313 6.720 1.485 217 HG SER 28 HG SER 28 2.998 6.196 1.023 218 H ALA 29 HN ALA 29 7.997 6.246 0.563 219 HA ALA 29 HA ALA 29 9.546 4.543 2.388 220 1HB ALA 29 HB3 ALA 29 10.083 6.912 0.628 221 2HB ALA 29 HB2 ALA 29 11.155 6.674 2.004 222 3HB ALA 29 HB1 ALA 29 10.995 5.411 0.781 223 H THR 30 HN THR 30 9.515 4.849 4.543 224 HA THR 30 HA THR 30 7.976 6.980 5.711 225 HB THR 30 HB THR 30 8.278 4.802 6.838 226 HG1 THR 30 HG1 THR 30 8.495 5.667 8.821 227 1HG2 THR 30 HG22 THR 30 10.655 4.483 6.081 228 2HG2 THR 30 HG21 THR 30 11.141 5.683 7.278 229 3HG2 THR 30 HG23 THR 30 10.406 4.168 7.799 230 H TRP 31 HN TRP 31 11.367 6.552 4.890 231 HA TRP 31 HA TRP 31 12.281 8.827 6.478 232 1HB TRP 31 HB2 TRP 31 14.374 8.563 5.195 233 2HB TRP 31 HB1 TRP 31 13.818 7.016 5.831 234 HD1 TRP 31 HD1 TRP 31 12.964 5.215 4.122 235 HE1 TRP 31 HE1 TRP 31 13.173 4.999 1.559 236 HE3 TRP 31 HE3 TRP 31 14.306 9.986 2.973 237 HZ2 TRP 31 HZ2 TRP 31 13.780 6.674 -0.689 238 HZ3 TRP 31 HZ3 TRP 31 14.660 10.664 0.623 239 HH2 TRP 31 HH2 TRP 31 14.400 9.017 -1.208 240 H CYS 32 HN CYS 32 10.619 8.505 3.496 241 HA CYS 32 HA CYS 32 11.619 11.091 2.440 242 1HB CYS 32 HB2 CYS 32 11.033 9.029 0.988 243 2HB CYS 32 HB1 CYS 32 9.352 9.441 1.304 244 H GLY 33 HN GLY 33 10.760 12.896 3.272 245 1HA GLY 33 HA2 GLY 33 8.470 12.989 4.939 246 2HA GLY 33 HA1 GLY 33 9.217 14.391 4.183 247 HA PRO 34 HA PRO 34 6.098 14.950 1.102 248 1HB PRO 34 HB2 PRO 34 7.442 13.336 -1.019 249 2HB PRO 34 HB1 PRO 34 6.914 15.027 -1.054 250 1HG PRO 34 HG2 PRO 34 9.544 14.271 -0.844 251 2HG PRO 34 HG1 PRO 34 8.920 15.806 -0.219 252 1HD PRO 34 HD2 PRO 34 9.823 13.420 1.277 253 2HD PRO 34 HD1 PRO 34 9.605 15.087 1.863 254 H ALA 35 HN ALA 35 7.354 11.620 1.099 255 HA ALA 35 HA ALA 35 4.833 10.488 0.173 256 1HB ALA 35 HB2 ALA 35 7.357 9.573 0.073 257 2HB ALA 35 HB1 ALA 35 6.865 8.782 1.567 258 3HB ALA 35 HB3 ALA 35 5.976 8.478 0.073 259 H LYS 36 HN LYS 36 6.535 10.594 3.319 260 HA LYS 36 HA LYS 36 4.558 9.172 4.803 261 1HB LYS 36 HB2 LYS 36 6.870 9.790 5.621 262 2HB LYS 36 HB1 LYS 36 6.278 11.436 5.855 263 1HG LYS 36 HG2 LYS 36 4.461 10.503 7.326 264 2HG LYS 36 HG1 LYS 36 5.234 8.922 7.196 265 1HD LYS 36 HD2 LYS 36 7.323 9.889 8.138 266 2HD LYS 36 HD1 LYS 36 6.501 11.440 8.322 267 1HE LYS 36 HE2 LYS 36 4.866 10.427 9.839 268 2HE LYS 36 HE1 LYS 36 5.613 8.845 9.619 269 1HZ LYS 36 HZ3 LYS 36 7.720 9.941 10.437 270 2HZ LYS 36 HZ2 LYS 36 6.746 11.236 10.946 271 3HZ LYS 36 HZ1 LYS 36 6.509 9.682 11.594 272 H MET 37 HN MET 37 4.768 12.512 3.770 273 HA MET 37 HA MET 37 2.765 13.654 5.431 274 1HB MET 37 HB2 MET 37 4.308 14.941 3.943 275 2HB MET 37 HB1 MET 37 3.390 14.371 2.553 276 1HG MET 37 HG2 MET 37 1.998 15.778 4.828 277 2HG MET 37 HG1 MET 37 2.797 16.699 3.554 278 1HE MET 37 HE1 MET 37 0.318 17.509 3.867 279 2HE MET 37 HE3 MET 37 0.688 17.814 2.164 280 3HE MET 37 HE2 MET 37 -0.861 17.110 2.622 281 H ILE 38 HN ILE 38 2.509 11.651 2.569 282 HA ILE 38 HA ILE 38 -0.326 12.220 2.166 283 HB ILE 38 HB ILE 38 1.216 9.887 1.000 284 1HG1 ILE 38 HG12 ILE 38 0.986 12.686 -0.157 285 2HG1 ILE 38 HG11 ILE 38 2.418 12.095 0.680 286 1HG2 ILE 38 HG21 ILE 38 -1.269 11.433 0.221 287 2HG2 ILE 38 HG23 ILE 38 -0.403 10.418 -0.927 288 3HG2 ILE 38 HG22 ILE 38 -1.109 9.705 0.517 289 1HD1 ILE 38 HD12 ILE 38 2.339 10.125 -1.001 290 2HD1 ILE 38 HD11 ILE 38 1.270 11.167 -1.940 291 3HD1 ILE 38 HD13 ILE 38 2.913 11.688 -1.572 292 H LYS 39 HN LYS 39 1.259 10.343 4.473 293 HA LYS 39 HA LYS 39 -0.283 7.978 4.388 294 1HB LYS 39 HB2 LYS 39 0.500 7.409 6.514 295 2HB LYS 39 HB1 LYS 39 1.775 8.405 5.838 296 1HG LYS 39 HG2 LYS 39 1.301 10.220 7.255 297 2HG LYS 39 HG1 LYS 39 -0.334 9.673 7.609 298 1HD LYS 39 HD2 LYS 39 2.200 8.276 8.503 299 2HD LYS 39 HD1 LYS 39 1.219 9.334 9.512 300 1HE LYS 39 HE2 LYS 39 0.187 7.383 10.133 301 2HE LYS 39 HE1 LYS 39 -0.683 7.561 8.610 302 1HZ LYS 39 HZ1 LYS 39 1.887 6.371 8.246 303 2HZ LYS 39 HZ3 LYS 39 0.933 5.477 9.327 304 3HZ LYS 39 HZ2 LYS 39 0.356 5.809 7.763 305 HA PRO 40 HA PRO 40 -3.436 10.157 7.403 306 1HB PRO 40 HB2 PRO 40 -3.812 12.648 5.799 307 2HB PRO 40 HB1 PRO 40 -3.772 12.439 7.561 308 1HG PRO 40 HG2 PRO 40 -1.734 13.601 6.274 309 2HG PRO 40 HG1 PRO 40 -1.443 12.516 7.645 310 1HD PRO 40 HD2 PRO 40 -1.159 11.964 4.719 311 2HD PRO 40 HD1 PRO 40 -0.111 11.431 6.048 312 H PHE 41 HN PHE 41 -3.390 10.751 3.872 313 HA PHE 41 HA PHE 41 -6.246 10.301 3.577 314 1HB PHE 41 HB2 PHE 41 -3.962 10.172 1.577 315 2HB PHE 41 HB1 PHE 41 -5.658 10.000 1.158 316 HD1 PHE 41 HD2 PHE 41 -3.234 12.308 2.763 317 HD2 PHE 41 HD1 PHE 41 -7.039 11.881 0.822 318 HE1 PHE 41 HE2 PHE 41 -3.460 14.776 2.676 319 HE2 PHE 41 HE1 PHE 41 -7.271 14.354 0.737 320 HZ PHE 41 HZ PHE 41 -5.477 15.800 1.663 321 H PHE 42 HN PHE 42 -3.349 8.340 2.862 322 HA PHE 42 HA PHE 42 -4.722 5.947 2.162 323 1HB PHE 42 HB2 PHE 42 -2.334 6.362 1.705 324 2HB PHE 42 HB1 PHE 42 -1.987 6.333 3.437 325 HD1 PHE 42 HD1 PHE 42 -3.125 4.279 0.550 326 HD2 PHE 42 HD2 PHE 42 -1.807 4.268 4.643 327 HE1 PHE 42 HE1 PHE 42 -2.907 1.809 0.476 328 HE2 PHE 42 HE2 PHE 42 -1.586 1.800 4.563 329 HZ PHE 42 HZ PHE 42 -2.138 0.570 2.482 330 H HIS 43 HN HIS 43 -3.410 7.050 5.280 331 HA HIS 43 HA HIS 43 -4.299 4.772 6.798 332 1HB HIS 43 HB2 HIS 43 -2.497 6.293 7.546 333 2HB HIS 43 HB1 HIS 43 -3.666 7.602 7.693 334 HD1 HIS 43 HD1 HIS 43 -2.481 4.495 9.366 335 HD2 HIS 43 HD2 HIS 43 -5.495 7.316 9.875 336 HE1 HIS 43 HE1 HIS 43 -3.568 3.982 11.596 337 H SER 44 HN SER 44 -5.724 8.011 6.261 338 HA SER 44 HA SER 44 -7.940 7.647 8.021 339 1HB SER 44 HB2 SER 44 -7.716 9.398 5.565 340 2HB SER 44 HB1 SER 44 -9.025 9.480 6.737 341 HG SER 44 HG SER 44 -7.360 10.981 7.199 342 H LEU 45 HN LEU 45 -7.519 6.881 4.594 343 HA LEU 45 HA LEU 45 -10.228 6.259 4.017 344 1HB LEU 45 HB2 LEU 45 -7.661 5.227 2.837 345 2HB LEU 45 HB1 LEU 45 -9.233 4.804 2.189 346 HG LEU 45 HG LEU 45 -8.466 7.699 2.604 347 1HD1 LEU 45 HD13 LEU 45 -7.907 5.979 0.172 348 2HD1 LEU 45 HD12 LEU 45 -7.746 7.734 0.223 349 3HD1 LEU 45 HD11 LEU 45 -6.702 6.722 1.218 350 1HD2 LEU 45 HD21 LEU 45 -10.491 6.214 0.914 351 2HD2 LEU 45 HD23 LEU 45 -10.778 7.462 2.127 352 3HD2 LEU 45 HD22 LEU 45 -10.046 7.885 0.583 353 H SER 46 HN SER 46 -7.827 4.436 5.777 354 HA SER 46 HA SER 46 -8.818 1.825 5.421 355 1HB SER 46 HB2 SER 46 -7.755 3.059 7.978 356 2HB SER 46 HB1 SER 46 -7.940 1.336 7.685 357 HG SER 46 HG SER 46 -6.394 3.082 6.063 358 H GLU 47 HN GLU 47 -9.996 4.439 7.481 359 HA GLU 47 HA GLU 47 -12.149 2.744 8.549 360 1HB GLU 47 HB2 GLU 47 -11.523 5.705 8.820 361 2HB GLU 47 HB1 GLU 47 -12.915 4.933 9.577 362 1HG GLU 47 HG2 GLU 47 -10.038 4.084 10.014 363 2HG GLU 47 HG1 GLU 47 -10.950 5.113 11.117 364 H LYS 48 HN LYS 48 -11.639 4.757 5.762 365 HA LYS 48 HA LYS 48 -14.454 5.418 5.367 366 1HB LYS 48 HB2 LYS 48 -12.580 6.752 4.341 367 2HB LYS 48 HB1 LYS 48 -12.241 5.369 3.297 368 1HG LYS 48 HG2 LYS 48 -14.560 5.464 2.428 369 2HG LYS 48 HG1 LYS 48 -14.864 6.879 3.434 370 1HD LYS 48 HD2 LYS 48 -13.033 8.075 2.266 371 2HD LYS 48 HD1 LYS 48 -12.803 6.668 1.226 372 1HE LYS 48 HE2 LYS 48 -15.144 6.869 0.451 373 2HE LYS 48 HE1 LYS 48 -15.349 8.294 1.469 374 1HZ LYS 48 HZ3 LYS 48 -13.064 8.331 -0.322 375 2HZ LYS 48 HZ2 LYS 48 -14.586 8.406 -1.074 376 3HZ LYS 48 HZ1 LYS 48 -14.146 9.573 0.081 377 H TYR 49 HN TYR 49 -12.196 2.942 4.320 378 HA TYR 49 HA TYR 49 -14.524 1.360 3.238 379 1HB TYR 49 HB2 TYR 49 -11.643 1.397 2.263 380 2HB TYR 49 HB1 TYR 49 -12.887 0.286 1.695 381 HD1 TYR 49 HD2 TYR 49 -15.117 1.399 0.848 382 HD2 TYR 49 HD1 TYR 49 -11.345 3.433 1.131 383 HE1 TYR 49 HE2 TYR 49 -15.906 3.089 -0.785 384 HE2 TYR 49 HE1 TYR 49 -12.136 5.126 -0.494 385 HH TYR 49 HH TYR 49 -13.868 5.186 -2.379 386 H SER 50 HN SER 50 -14.373 0.986 5.696 387 HA SER 50 HA SER 50 -12.249 -0.543 6.807 388 1HB SER 50 HB2 SER 50 -13.764 -0.977 8.617 389 2HB SER 50 HB1 SER 50 -14.106 0.648 8.048 390 HG SER 50 HG SER 50 -15.734 -0.432 6.670 391 H ASN 51 HN ASN 51 -14.478 -1.305 4.403 392 HA ASN 51 HA ASN 51 -14.527 -4.200 4.997 393 1HB ASN 51 HB2 ASN 51 -16.509 -2.958 3.981 394 2HB ASN 51 HB1 ASN 51 -15.545 -2.791 2.516 395 1HD2 ASN 51 HD22 ASN 51 -16.276 -6.056 1.431 396 2HD2 ASN 51 HD21 ASN 51 -15.727 -4.496 1.045 397 H VAL 52 HN VAL 52 -12.241 -2.216 4.046 398 HA VAL 52 HA VAL 52 -11.029 -4.140 2.109 399 HB VAL 52 HB VAL 52 -10.929 -1.111 2.092 400 1HG1 VAL 52 HG13 VAL 52 -9.163 -3.174 0.803 401 2HG1 VAL 52 HG12 VAL 52 -9.517 -1.688 -0.079 402 3HG1 VAL 52 HG11 VAL 52 -8.734 -1.614 1.497 403 1HG2 VAL 52 HG23 VAL 52 -12.008 -3.218 0.205 404 2HG2 VAL 52 HG22 VAL 52 -12.897 -1.920 0.996 405 3HG2 VAL 52 HG21 VAL 52 -11.748 -1.546 -0.288 406 H ILE 53 HN ILE 53 -8.799 -4.566 2.497 407 HA ILE 53 HA ILE 53 -7.856 -3.654 5.197 408 HB ILE 53 HB ILE 53 -6.663 -5.787 3.406 409 1HG1 ILE 53 HG12 ILE 53 -8.983 -6.399 3.841 410 2HG1 ILE 53 HG11 ILE 53 -7.936 -7.406 4.833 411 1HG2 ILE 53 HG23 ILE 53 -5.443 -4.693 5.476 412 2HG2 ILE 53 HG22 ILE 53 -6.520 -5.714 6.415 413 3HG2 ILE 53 HG21 ILE 53 -5.402 -6.439 5.262 414 1HD1 ILE 53 HD12 ILE 53 -8.310 -5.607 6.677 415 2HD1 ILE 53 HD11 ILE 53 -9.668 -5.086 5.682 416 3HD1 ILE 53 HD13 ILE 53 -9.626 -6.725 6.329 417 H PHE 54 HN PHE 54 -6.348 -2.008 5.235 418 HA PHE 54 HA PHE 54 -4.770 -1.444 2.741 419 1HB PHE 54 HB2 PHE 54 -5.303 0.260 5.197 420 2HB PHE 54 HB1 PHE 54 -4.263 0.739 3.863 421 HD1 PHE 54 HD1 PHE 54 -7.740 -0.445 4.577 422 HD2 PHE 54 HD2 PHE 54 -5.189 1.887 2.028 423 HE1 PHE 54 HE1 PHE 54 -9.727 0.427 3.382 424 HE2 PHE 54 HE2 PHE 54 -7.181 2.744 0.823 425 HZ PHE 54 HZ PHE 54 -9.447 2.017 1.505 426 H LEU 55 HN LEU 55 -2.592 -1.891 2.752 427 HA LEU 55 HA LEU 55 -1.274 -2.483 5.383 428 1HB LEU 55 HB2 LEU 55 -0.661 -3.555 2.615 429 2HB LEU 55 HB1 LEU 55 0.439 -3.739 3.979 430 HG LEU 55 HG LEU 55 -1.206 -5.035 5.200 431 1HD1 LEU 55 HD13 LEU 55 -3.059 -4.156 3.006 432 2HD1 LEU 55 HD12 LEU 55 -3.343 -5.699 3.813 433 3HD1 LEU 55 HD11 LEU 55 -3.320 -4.216 4.748 434 1HD2 LEU 55 HD22 LEU 55 0.212 -6.101 3.386 435 2HD2 LEU 55 HD21 LEU 55 -1.234 -7.002 3.834 436 3HD2 LEU 55 HD23 LEU 55 -1.211 -6.049 2.350 437 H GLU 56 HN GLU 56 0.641 -1.512 5.868 438 HA GLU 56 HA GLU 56 1.609 0.620 3.997 439 1HB GLU 56 HB2 GLU 56 0.737 1.374 6.265 440 2HB GLU 56 HB1 GLU 56 2.062 0.463 6.993 441 1HG GLU 56 HG2 GLU 56 3.678 1.773 5.621 442 2HG GLU 56 HG1 GLU 56 2.334 2.738 5.002 443 H VAL 57 HN VAL 57 3.645 0.317 3.224 444 HA VAL 57 HA VAL 57 5.373 -1.743 4.573 445 HB VAL 57 HB VAL 57 5.016 -1.275 1.604 446 1HG1 VAL 57 HG11 VAL 57 6.565 -3.310 3.217 447 2HG1 VAL 57 HG13 VAL 57 6.260 -3.442 1.491 448 3HG1 VAL 57 HG12 VAL 57 7.228 -2.106 2.108 449 1HG2 VAL 57 HG23 VAL 57 3.979 -3.431 3.458 450 2HG2 VAL 57 HG22 VAL 57 3.015 -2.266 2.553 451 3HG2 VAL 57 HG21 VAL 57 3.919 -3.519 1.699 452 H ASP 58 HN ASP 58 7.456 -1.119 4.907 453 HA ASP 58 HA ASP 58 8.314 1.583 3.990 454 1HB ASP 58 HB2 ASP 58 8.505 0.794 6.403 455 2HB ASP 58 HB1 ASP 58 9.729 -0.348 5.837 456 H VAL 59 HN VAL 59 9.544 1.665 2.125 457 HA VAL 59 HA VAL 59 10.645 -0.749 0.957 458 HB VAL 59 HB VAL 59 11.763 0.784 -0.631 459 1HG1 VAL 59 HG13 VAL 59 8.885 1.353 0.087 460 2HG1 VAL 59 HG12 VAL 59 9.647 2.044 -1.347 461 3HG1 VAL 59 HG11 VAL 59 9.500 0.294 -1.182 462 1HG2 VAL 59 HG21 VAL 59 10.728 2.940 1.221 463 2HG2 VAL 59 HG23 VAL 59 12.414 2.554 0.902 464 3HG2 VAL 59 HG22 VAL 59 11.414 3.233 -0.375 465 H ASP 60 HN ASP 60 11.679 1.395 3.427 466 HA ASP 60 HA ASP 60 14.541 0.663 3.121 467 1HB ASP 60 HB2 ASP 60 13.009 2.605 4.832 468 2HB ASP 60 HB1 ASP 60 14.657 2.174 5.248 469 H ASP 61 HN ASP 61 11.932 0.239 5.561 470 HA ASP 61 HA ASP 61 13.723 -1.619 7.063 471 1HB ASP 61 HB2 ASP 61 10.945 -0.582 7.728 472 2HB ASP 61 HB1 ASP 61 11.936 -1.599 8.768 473 H ALA 62 HN ALA 62 11.286 -1.618 4.717 474 HA ALA 62 HA ALA 62 10.851 -4.558 5.071 475 1HB ALA 62 HB2 ALA 62 8.867 -2.750 5.392 476 2HB ALA 62 HB1 ALA 62 8.793 -2.917 3.641 477 3HB ALA 62 HB3 ALA 62 8.576 -4.331 4.672 478 H GLN 63 HN GLN 63 12.969 -3.306 3.656 479 HA GLN 63 HA GLN 63 12.495 -2.886 0.893 480 1HB GLN 63 HB2 GLN 63 14.893 -3.233 0.598 481 2HB GLN 63 HB1 GLN 63 14.618 -2.318 2.082 482 1HG GLN 63 HG2 GLN 63 14.737 -4.481 3.359 483 2HG GLN 63 HG1 GLN 63 15.204 -5.285 1.861 484 1HE2 GLN 63 HE22 GLN 63 18.319 -4.259 3.681 485 2HE2 GLN 63 HE21 GLN 63 16.991 -5.241 4.072 486 H ASP 64 HN ASP 64 12.618 -5.831 2.728 487 HA ASP 64 HA ASP 64 13.220 -7.613 0.567 488 1HB ASP 64 HB2 ASP 64 12.077 -9.320 2.065 489 2HB ASP 64 HB1 ASP 64 13.398 -8.435 2.820 490 H VAL 65 HN VAL 65 10.224 -6.199 1.806 491 HA VAL 65 HA VAL 65 8.478 -7.731 0.091 492 HB VAL 65 HB VAL 65 7.942 -4.969 1.207 493 1HG1 VAL 65 HG11 VAL 65 6.330 -6.025 -0.413 494 2HG1 VAL 65 HG13 VAL 65 6.095 -7.325 0.755 495 3HG1 VAL 65 HG12 VAL 65 5.634 -5.674 1.170 496 1HG2 VAL 65 HG23 VAL 65 8.022 -7.636 2.600 497 2HG2 VAL 65 HG22 VAL 65 8.659 -6.087 3.139 498 3HG2 VAL 65 HG21 VAL 65 6.924 -6.376 3.155 499 H ALA 66 HN ALA 66 9.913 -4.478 -0.104 500 HA ALA 66 HA ALA 66 8.669 -3.801 -2.603 501 1HB ALA 66 HB2 ALA 66 9.771 -2.284 -0.774 502 2HB ALA 66 HB1 ALA 66 11.249 -2.556 -1.698 503 3HB ALA 66 HB3 ALA 66 9.847 -1.808 -2.467 504 H SER 67 HN SER 67 11.895 -5.081 -1.796 505 HA SER 67 HA SER 67 12.979 -4.931 -4.425 506 1HB SER 67 HB2 SER 67 14.596 -6.588 -3.664 507 2HB SER 67 HB1 SER 67 14.271 -5.467 -2.344 508 HG SER 67 HG SER 67 14.048 -7.435 -1.437 509 H GLU 68 HN GLU 68 10.839 -7.270 -2.912 510 HA GLU 68 HA GLU 68 11.003 -9.340 -4.864 511 1HB GLU 68 HB2 GLU 68 9.833 -9.499 -2.632 512 2HB GLU 68 HB1 GLU 68 8.540 -8.503 -3.300 513 1HG GLU 68 HG2 GLU 68 8.248 -10.197 -5.124 514 2HG GLU 68 HG1 GLU 68 9.435 -11.216 -4.314 515 H ALA 69 HN ALA 69 9.088 -6.365 -4.696 516 HA ALA 69 HA ALA 69 7.789 -6.987 -7.277 517 1HB ALA 69 HB2 ALA 69 7.497 -4.671 -5.352 518 2HB ALA 69 HB1 ALA 69 6.592 -4.826 -6.858 519 3HB ALA 69 HB3 ALA 69 6.375 -6.014 -5.573 520 H GLU 70 HN GLU 70 10.746 -5.746 -6.463 521 HA GLU 70 HA GLU 70 12.272 -4.360 -7.592 522 1HB GLU 70 HB2 GLU 70 10.432 -4.858 -9.950 523 2HB GLU 70 HB1 GLU 70 12.066 -4.213 -10.034 524 1HG GLU 70 HG2 GLU 70 11.354 -6.924 -8.911 525 2HG GLU 70 HG1 GLU 70 11.960 -6.633 -10.540 526 H VAL 71 HN VAL 71 10.524 -2.884 -6.105 527 HA VAL 71 HA VAL 71 8.993 -1.013 -7.642 528 HB VAL 71 HB VAL 71 10.337 -0.488 -4.968 529 1HG1 VAL 71 HG13 VAL 71 7.926 0.663 -6.407 530 2HG1 VAL 71 HG12 VAL 71 8.295 0.989 -4.715 531 3HG1 VAL 71 HG11 VAL 71 9.414 1.507 -5.981 532 1HG2 VAL 71 HG22 VAL 71 7.765 -1.942 -5.683 533 2HG2 VAL 71 HG21 VAL 71 9.091 -2.520 -4.675 534 3HG2 VAL 71 HG23 VAL 71 8.031 -1.239 -4.088 535 H LYS 72 HN LYS 72 9.649 0.761 -8.774 536 HA LYS 72 HA LYS 72 12.564 1.373 -8.789 537 1HB LYS 72 HB2 LYS 72 10.402 1.941 -10.827 538 2HB LYS 72 HB1 LYS 72 12.090 2.405 -11.001 539 1HG LYS 72 HG2 LYS 72 11.338 -0.490 -10.490 540 2HG LYS 72 HG1 LYS 72 11.298 0.177 -12.120 541 1HD LYS 72 HD2 LYS 72 13.698 0.936 -11.769 542 2HD LYS 72 HD1 LYS 72 13.698 -0.002 -10.275 543 1HE LYS 72 HE2 LYS 72 13.106 -2.036 -11.568 544 2HE LYS 72 HE1 LYS 72 13.154 -1.089 -13.055 545 1HZ LYS 72 HZ1 LYS 72 15.510 -0.851 -11.398 546 2HZ LYS 72 HZ3 LYS 72 15.254 -2.406 -12.025 547 3HZ LYS 72 HZ2 LYS 72 15.378 -1.077 -13.076 548 H ALA 73 HN ALA 73 9.584 2.628 -7.686 549 HA ALA 73 HA ALA 73 10.903 5.126 -6.934 550 1HB ALA 73 HB1 ALA 73 10.087 5.378 -9.361 551 2HB ALA 73 HB3 ALA 73 8.463 5.399 -8.676 552 3HB ALA 73 HB2 ALA 73 9.630 6.641 -8.218 553 H THR 74 HN THR 74 9.638 6.408 -5.454 554 HA THR 74 HA THR 74 7.194 5.071 -4.348 555 HB THR 74 HB THR 74 7.983 5.511 -2.086 556 HG1 THR 74 HG1 THR 74 10.034 6.539 -1.834 557 1HG2 THR 74 HG22 THR 74 10.224 4.402 -3.770 558 2HG2 THR 74 HG21 THR 74 10.094 4.233 -2.023 559 3HG2 THR 74 HG23 THR 74 8.895 3.479 -3.074 560 HA PRO 75 HA PRO 75 5.850 5.712 -2.533 561 1HB PRO 75 HB2 PRO 75 3.270 6.702 -2.485 562 2HB PRO 75 HB1 PRO 75 4.537 7.162 -1.341 563 1HG PRO 75 HG2 PRO 75 3.421 8.712 -3.615 564 2HG PRO 75 HG1 PRO 75 4.184 9.289 -2.127 565 1HD PRO 75 HD2 PRO 75 5.400 9.173 -4.696 566 2HD PRO 75 HD1 PRO 75 6.240 9.459 -3.145 567 H THR 76 HN THR 76 4.883 3.830 -3.216 568 HA THR 76 HA THR 76 3.418 3.870 -5.831 569 HB THR 76 HB THR 76 5.379 1.755 -4.896 570 HG1 THR 76 HG1 THR 76 5.488 3.891 -6.699 571 1HG2 THR 76 HG22 THR 76 3.594 1.999 -7.325 572 2HG2 THR 76 HG21 THR 76 4.990 0.923 -7.281 573 3HG2 THR 76 HG23 THR 76 3.650 0.678 -6.160 574 H PHE 77 HN PHE 77 1.519 2.878 -5.782 575 HA PHE 77 HA PHE 77 0.768 1.336 -3.327 576 1HB PHE 77 HB2 PHE 77 -0.982 2.750 -5.365 577 2HB PHE 77 HB1 PHE 77 -1.555 1.916 -3.915 578 HD1 PHE 77 HD2 PHE 77 0.258 4.838 -5.213 579 HD2 PHE 77 HD1 PHE 77 -1.182 2.850 -1.686 580 HE1 PHE 77 HE2 PHE 77 0.687 6.893 -3.879 581 HE2 PHE 77 HE1 PHE 77 -0.763 4.901 -0.354 582 HZ PHE 77 HZ PHE 77 0.175 6.921 -1.450 583 H GLN 78 HN GLN 78 0.273 -0.786 -3.560 584 HA GLN 78 HA GLN 78 -0.148 -1.850 -6.336 585 1HB GLN 78 HB2 GLN 78 1.331 -3.064 -3.999 586 2HB GLN 78 HB1 GLN 78 0.805 -4.008 -5.393 587 1HG GLN 78 HG2 GLN 78 2.069 -2.478 -6.871 588 2HG GLN 78 HG1 GLN 78 2.658 -1.610 -5.454 589 1HE2 GLN 78 HE22 GLN 78 5.419 -3.847 -5.656 590 2HE2 GLN 78 HE21 GLN 78 4.896 -2.256 -5.926 591 H PHE 79 HN PHE 79 -1.797 -3.258 -6.593 592 HA PHE 79 HA PHE 79 -3.644 -3.547 -4.243 593 1HB PHE 79 HB2 PHE 79 -4.141 -3.528 -7.224 594 2HB PHE 79 HB1 PHE 79 -5.379 -3.891 -6.018 595 HD1 PHE 79 HD2 PHE 79 -2.958 -1.292 -7.148 596 HD2 PHE 79 HD1 PHE 79 -6.386 -2.167 -4.728 597 HE1 PHE 79 HE2 PHE 79 -3.265 1.123 -6.707 598 HE2 PHE 79 HE1 PHE 79 -6.696 0.245 -4.291 599 HZ PHE 79 HZ PHE 79 -5.140 1.897 -5.282 600 H PHE 80 HN PHE 80 -4.155 -5.494 -3.524 601 HA PHE 80 HA PHE 80 -3.442 -7.894 -5.146 602 1HB PHE 80 HB2 PHE 80 -2.912 -7.349 -2.220 603 2HB PHE 80 HB1 PHE 80 -2.913 -8.979 -2.893 604 HD1 PHE 80 HD1 PHE 80 -1.237 -9.677 -4.518 605 HD2 PHE 80 HD2 PHE 80 -1.146 -5.735 -2.791 606 HE1 PHE 80 HE1 PHE 80 1.093 -9.386 -5.307 607 HE2 PHE 80 HE2 PHE 80 1.186 -5.452 -3.589 608 HZ PHE 80 HZ PHE 80 2.303 -7.273 -4.847 609 H LYS 81 HN LYS 81 -4.928 -9.583 -5.031 610 HA LYS 81 HA LYS 81 -7.174 -9.382 -3.106 611 1HB LYS 81 HB2 LYS 81 -7.804 -8.126 -5.261 612 2HB LYS 81 HB1 LYS 81 -7.720 -9.685 -6.083 613 1HG LYS 81 HG2 LYS 81 -9.322 -10.507 -4.207 614 2HG LYS 81 HG1 LYS 81 -9.615 -8.799 -3.912 615 1HD LYS 81 HD2 LYS 81 -9.966 -10.153 -6.604 616 2HD LYS 81 HD1 LYS 81 -11.278 -9.822 -5.475 617 1HE LYS 81 HE2 LYS 81 -11.317 -7.996 -6.982 618 2HE LYS 81 HE1 LYS 81 -10.500 -7.370 -5.549 619 1HZ LYS 81 HZ2 LYS 81 -8.598 -8.572 -7.221 620 2HZ LYS 81 HZ1 LYS 81 -9.532 -7.511 -8.165 621 3HZ LYS 81 HZ3 LYS 81 -8.734 -6.936 -6.784 622 H LYS 82 HN LYS 82 -7.471 -11.406 -2.333 623 HA LYS 82 HA LYS 82 -7.276 -13.729 -2.106 624 1HB LYS 82 HB2 LYS 82 -7.571 -13.599 -5.131 625 2HB LYS 82 HB1 LYS 82 -7.598 -15.086 -4.193 626 1HG LYS 82 HG2 LYS 82 -9.487 -14.055 -2.837 627 2HG LYS 82 HG1 LYS 82 -9.558 -12.790 -4.059 628 1HD LYS 82 HD2 LYS 82 -9.791 -14.618 -5.795 629 2HD LYS 82 HD1 LYS 82 -9.997 -15.754 -4.465 630 1HE LYS 82 HE2 LYS 82 -11.948 -14.477 -3.666 631 2HE LYS 82 HE1 LYS 82 -11.733 -13.318 -4.975 632 1HZ LYS 82 HZ2 LYS 82 -11.770 -15.949 -6.001 633 2HZ LYS 82 HZ1 LYS 82 -13.151 -15.692 -5.045 634 3HZ LYS 82 HZ3 LYS 82 -12.816 -14.655 -6.345 635 H GLY 83 HN GLY 83 -4.873 -12.018 -2.447 636 1HA GLY 83 HA2 GLY 83 -2.560 -12.496 -2.367 637 2HA GLY 83 HA1 GLY 83 -2.933 -14.168 -2.786 638 H GLN 84 HN GLN 84 -4.434 -11.964 -4.887 639 HA GLN 84 HA GLN 84 -2.347 -12.483 -6.971 640 1HB GLN 84 HB2 GLN 84 -5.275 -11.811 -7.385 641 2HB GLN 84 HB1 GLN 84 -4.121 -12.307 -8.618 642 1HG GLN 84 HG2 GLN 84 -5.043 -14.024 -6.292 643 2HG GLN 84 HG1 GLN 84 -5.578 -14.187 -7.962 644 1HE2 GLN 84 HE22 GLN 84 -1.771 -15.374 -6.976 645 2HE2 GLN 84 HE21 GLN 84 -2.579 -14.252 -5.993 646 H LYS 85 HN LYS 85 -1.360 -10.753 -7.912 647 HA LYS 85 HA LYS 85 -1.985 -8.038 -6.972 648 1HB LYS 85 HB2 LYS 85 0.351 -8.825 -7.454 649 2HB LYS 85 HB1 LYS 85 -0.082 -8.967 -9.157 650 1HG LYS 85 HG2 LYS 85 -0.609 -6.556 -9.229 651 2HG LYS 85 HG1 LYS 85 -0.175 -6.407 -7.525 652 1HD LYS 85 HD2 LYS 85 2.120 -7.182 -8.047 653 2HD LYS 85 HD1 LYS 85 1.682 -7.304 -9.751 654 1HE LYS 85 HE2 LYS 85 1.265 -4.915 -9.874 655 2HE LYS 85 HE1 LYS 85 1.517 -4.742 -8.138 656 1HZ LYS 85 HZ1 LYS 85 3.617 -5.843 -9.909 657 2HZ LYS 85 HZ3 LYS 85 3.449 -4.173 -9.662 658 3HZ LYS 85 HZ2 LYS 85 3.780 -5.196 -8.347 659 H VAL 86 HN VAL 86 -3.548 -6.844 -7.906 660 HA VAL 86 HA VAL 86 -4.230 -7.339 -10.782 661 HB VAL 86 HB VAL 86 -6.563 -6.726 -10.159 662 1HG1 VAL 86 HG13 VAL 86 -5.613 -9.123 -10.160 663 2HG1 VAL 86 HG12 VAL 86 -5.583 -8.990 -8.402 664 3HG1 VAL 86 HG11 VAL 86 -7.114 -8.869 -9.271 665 1HG2 VAL 86 HG22 VAL 86 -5.984 -5.405 -8.137 666 2HG2 VAL 86 HG21 VAL 86 -7.154 -6.671 -7.763 667 3HG2 VAL 86 HG23 VAL 86 -5.458 -6.884 -7.335 668 H GLY 87 HN GLY 87 -2.612 -5.135 -9.024 669 1HA GLY 87 HA2 GLY 87 -3.174 -3.024 -10.904 670 2HA GLY 87 HA1 GLY 87 -3.988 -2.684 -9.387 671 H GLU 88 HN GLU 88 -1.845 -1.213 -10.677 672 HA GLU 88 HA GLU 88 -0.124 -0.800 -8.383 673 1HB GLU 88 HB2 GLU 88 1.161 -2.614 -9.175 674 2HB GLU 88 HB1 GLU 88 0.918 -2.170 -10.856 675 1HG GLU 88 HG2 GLU 88 3.211 -1.668 -10.192 676 2HG GLU 88 HG1 GLU 88 2.373 -0.153 -10.484 677 H PHE 89 HN PHE 89 0.698 1.251 -8.411 678 HA PHE 89 HA PHE 89 1.070 2.739 -10.867 679 1HB PHE 89 HB2 PHE 89 -0.690 4.292 -10.789 680 2HB PHE 89 HB1 PHE 89 -1.481 2.761 -10.456 681 HD1 PHE 89 HD1 PHE 89 0.015 5.743 -8.771 682 HD2 PHE 89 HD2 PHE 89 -2.765 2.492 -8.495 683 HE1 PHE 89 HE1 PHE 89 -0.899 6.710 -6.677 684 HE2 PHE 89 HE2 PHE 89 -3.686 3.454 -6.396 685 HZ PHE 89 HZ PHE 89 -2.759 5.569 -5.496 686 H SER 90 HN SER 90 1.979 4.869 -10.457 687 HA SER 90 HA SER 90 2.992 5.234 -7.656 688 1HB SER 90 HB2 SER 90 5.108 6.035 -8.609 689 2HB SER 90 HB1 SER 90 4.798 4.367 -9.090 690 HG SER 90 HG SER 90 5.260 5.330 -10.972 691 H GLY 91 HN GLY 91 3.615 7.435 -7.154 692 1HA GLY 91 HA2 GLY 91 3.632 9.810 -8.036 693 2HA GLY 91 HA1 GLY 91 2.047 9.465 -8.721 694 H ALA 92 HN ALA 92 3.075 11.349 -6.512 695 HA ALA 92 HA ALA 92 1.780 10.387 -4.089 696 1HB ALA 92 HB2 ALA 92 2.894 13.046 -4.986 697 2HB ALA 92 HB1 ALA 92 2.091 12.855 -3.428 698 3HB ALA 92 HB3 ALA 92 3.556 11.939 -3.786 699 H ASN 93 HN ASN 93 -0.233 9.921 -5.646 700 HA ASN 93 HA ASN 93 -2.058 12.303 -5.476 701 1HB ASN 93 HB2 ASN 93 -1.615 11.530 -7.820 702 2HB ASN 93 HB1 ASN 93 -2.315 9.968 -7.380 703 1HD2 ASN 93 HD22 ASN 93 -4.767 13.086 -8.147 704 2HD2 ASN 93 HD21 ASN 93 -3.085 13.203 -8.336 705 H LYS 94 HN LYS 94 -3.044 11.915 -3.545 706 HA LYS 94 HA LYS 94 -3.710 9.288 -2.570 707 1HB LYS 94 HB2 LYS 94 -5.118 10.602 -0.950 708 2HB LYS 94 HB1 LYS 94 -3.413 11.030 -0.984 709 1HG LYS 94 HG2 LYS 94 -5.049 12.596 -2.903 710 2HG LYS 94 HG1 LYS 94 -5.544 12.832 -1.236 711 1HD LYS 94 HD2 LYS 94 -3.092 13.275 -0.688 712 2HD LYS 94 HD1 LYS 94 -2.798 13.297 -2.433 713 1HE LYS 94 HE2 LYS 94 -4.444 15.103 -2.693 714 2HE LYS 94 HE1 LYS 94 -4.783 15.054 -0.963 715 1HZ LYS 94 HZ1 LYS 94 -2.121 15.637 -2.146 716 2HZ LYS 94 HZ3 LYS 94 -3.204 16.817 -1.589 717 3HZ LYS 94 HZ2 LYS 94 -2.535 15.699 -0.499 718 H GLU 95 HN GLU 95 -5.592 11.733 -4.373 719 HA GLU 95 HA GLU 95 -8.133 10.506 -4.038 720 1HB GLU 95 HB2 GLU 95 -7.072 12.105 -6.390 721 2HB GLU 95 HB1 GLU 95 -8.768 11.729 -6.099 722 1HG GLU 95 HG2 GLU 95 -7.023 13.221 -4.122 723 2HG GLU 95 HG1 GLU 95 -8.085 14.012 -5.289 724 H LYS 96 HN LYS 96 -5.440 9.760 -6.121 725 HA LYS 96 HA LYS 96 -6.743 8.137 -8.051 726 1HB LYS 96 HB2 LYS 96 -4.342 8.981 -8.024 727 2HB LYS 96 HB1 LYS 96 -3.976 7.664 -6.928 728 1HG LYS 96 HG2 LYS 96 -4.458 6.014 -8.557 729 2HG LYS 96 HG1 LYS 96 -5.310 7.164 -9.591 730 1HD LYS 96 HD2 LYS 96 -3.213 8.360 -10.036 731 2HD LYS 96 HD1 LYS 96 -2.340 7.261 -8.968 732 1HE LYS 96 HE2 LYS 96 -2.029 6.551 -11.288 733 2HE LYS 96 HE1 LYS 96 -3.012 5.355 -10.442 734 1HZ LYS 96 HZ1 LYS 96 -4.285 7.575 -11.903 735 2HZ LYS 96 HZ3 LYS 96 -3.771 6.190 -12.734 736 3HZ LYS 96 HZ2 LYS 96 -4.927 6.055 -11.496 737 H LEU 97 HN LEU 97 -5.545 7.444 -4.803 738 HA LEU 97 HA LEU 97 -5.768 4.611 -4.825 739 1HB LEU 97 HB2 LEU 97 -6.209 6.662 -2.636 740 2HB LEU 97 HB1 LEU 97 -6.280 4.934 -2.327 741 HG LEU 97 HG LEU 97 -3.887 6.229 -3.620 742 1HD1 LEU 97 HD12 LEU 97 -4.418 5.756 -0.677 743 2HD1 LEU 97 HD11 LEU 97 -2.862 6.239 -1.353 744 3HD1 LEU 97 HD13 LEU 97 -4.250 7.319 -1.466 745 1HD2 LEU 97 HD22 LEU 97 -4.617 3.515 -3.158 746 2HD2 LEU 97 HD21 LEU 97 -3.038 4.118 -3.636 747 3HD2 LEU 97 HD23 LEU 97 -3.409 3.882 -1.932 748 H GLU 98 HN GLU 98 -8.102 7.157 -4.203 749 HA GLU 98 HA GLU 98 -10.264 5.483 -3.356 750 1HB GLU 98 HB2 GLU 98 -10.214 7.933 -3.044 751 2HB GLU 98 HB1 GLU 98 -10.391 8.155 -4.783 752 1HG GLU 98 HG2 GLU 98 -12.567 6.924 -4.682 753 2HG GLU 98 HG1 GLU 98 -12.393 6.826 -2.929 754 H ALA 99 HN ALA 99 -9.376 6.624 -6.606 755 HA ALA 99 HA ALA 99 -11.706 5.526 -7.864 756 1HB ALA 99 HB2 ALA 99 -10.075 7.282 -8.785 757 2HB ALA 99 HB1 ALA 99 -9.045 5.924 -9.234 758 3HB ALA 99 HB3 ALA 99 -10.662 6.071 -9.924 759 H THR 100 HN THR 100 -8.419 4.174 -7.446 760 HA THR 100 HA THR 100 -8.950 1.825 -9.001 761 HB THR 100 HB THR 100 -6.995 2.052 -6.697 762 HG1 THR 100 HG1 THR 100 -7.029 3.740 -8.455 763 1HG2 THR 100 HG21 THR 100 -7.179 0.361 -9.201 764 2HG2 THR 100 HG23 THR 100 -5.691 0.532 -8.275 765 3HG2 THR 100 HG22 THR 100 -7.117 -0.193 -7.528 766 H ILE 101 HN ILE 101 -9.290 2.522 -5.541 767 HA ILE 101 HA ILE 101 -9.961 -0.128 -4.661 768 HB ILE 101 HB ILE 101 -10.775 2.619 -3.649 769 1HG1 ILE 101 HG12 ILE 101 -8.863 0.650 -2.372 770 2HG1 ILE 101 HG11 ILE 101 -8.316 1.763 -3.624 771 1HG2 ILE 101 HG21 ILE 101 -11.288 -0.143 -2.524 772 2HG2 ILE 101 HG23 ILE 101 -11.262 1.294 -1.501 773 3HG2 ILE 101 HG22 ILE 101 -12.447 1.159 -2.799 774 1HD1 ILE 101 HD11 ILE 101 -9.134 3.672 -2.288 775 2HD1 ILE 101 HD13 ILE 101 -9.660 2.558 -1.026 776 3HD1 ILE 101 HD12 ILE 101 -7.944 2.726 -1.395 777 H ASN 102 HN ASN 102 -11.990 2.604 -5.685 778 HA ASN 102 HA ASN 102 -14.508 1.276 -5.539 779 1HB ASN 102 HB2 ASN 102 -14.242 3.735 -5.843 780 2HB ASN 102 HB1 ASN 102 -13.625 3.446 -7.472 781 1HD2 ASN 102 HD22 ASN 102 -17.586 3.580 -6.906 782 2HD2 ASN 102 HD21 ASN 102 -16.459 4.088 -5.743 783 H GLU 103 HN GLU 103 -12.021 1.429 -7.991 784 HA GLU 103 HA GLU 103 -13.502 0.225 -10.116 785 1HB GLU 103 HB2 GLU 103 -11.312 1.544 -10.235 786 2HB GLU 103 HB1 GLU 103 -10.509 0.078 -9.683 787 1HG GLU 103 HG2 GLU 103 -12.306 0.126 -12.118 788 2HG GLU 103 HG1 GLU 103 -10.564 0.390 -12.206 789 H LEU 104 HN LEU 104 -11.403 -1.132 -7.585 790 HA LEU 104 HA LEU 104 -11.964 -3.884 -8.574 791 1HB LEU 104 HB2 LEU 104 -10.065 -2.845 -6.471 792 2HB LEU 104 HB1 LEU 104 -10.224 -4.541 -6.906 793 HG LEU 104 HG LEU 104 -9.485 -2.338 -8.859 794 1HD1 LEU 104 HD11 LEU 104 -7.793 -4.231 -7.223 795 2HD1 LEU 104 HD13 LEU 104 -7.188 -3.447 -8.682 796 3HD1 LEU 104 HD12 LEU 104 -7.690 -2.473 -7.298 797 1HD2 LEU 104 HD23 LEU 104 -9.732 -5.346 -9.022 798 2HD2 LEU 104 HD22 LEU 104 -10.304 -4.125 -10.158 799 3HD2 LEU 104 HD21 LEU 104 -8.588 -4.505 -10.068 800 H VAL 105 HN VAL 105 -13.397 -1.759 -6.396 801 HA VAL 105 HA VAL 105 -13.774 -3.497 -4.138 802 HB VAL 105 HB VAL 105 -14.284 -0.976 -4.248 803 1HG1 VAL 105 HG13 VAL 105 -15.851 -1.434 -6.325 804 2HG1 VAL 105 HG12 VAL 105 -17.059 -1.788 -5.092 805 3HG1 VAL 105 HG11 VAL 105 -16.295 -0.199 -5.149 806 1HG2 VAL 105 HG21 VAL 105 -16.256 -2.942 -3.052 807 2HG2 VAL 105 HG23 VAL 105 -14.828 -2.262 -2.273 808 3HG2 VAL 105 HG22 VAL 105 -16.211 -1.229 -2.636 809 HA PRO 59 HA PRO 106 14.464 16.759 -13.351 810 1HB PRO 59 HB2 PRO 106 16.995 16.679 -11.732 811 2HB PRO 59 HB1 PRO 106 16.693 16.088 -13.380 812 1HG PRO 59 HG2 PRO 106 18.015 18.349 -12.978 813 2HG PRO 59 HG1 PRO 106 16.848 18.205 -14.306 814 1HD PRO 59 HD2 PRO 106 16.557 19.645 -11.693 815 2HD PRO 59 HD1 PRO 106 15.899 20.065 -13.291 816 H ALA 60 HN ALA 107 14.991 17.746 -9.991 817 HA ALA 60 HA ALA 107 14.178 15.056 -9.006 818 1HB ALA 60 HB1 ALA 107 15.115 17.566 -7.586 819 2HB ALA 60 HB3 ALA 107 14.592 16.108 -6.745 820 3HB ALA 60 HB2 ALA 107 16.012 16.061 -7.791 821 H THR 61 HN THR 108 12.056 14.660 -8.574 822 HA THR 61 HA THR 108 10.198 17.006 -8.330 823 HB THR 61 HB THR 108 9.474 14.116 -8.881 824 HG1 THR 61 HG1 THR 108 9.309 15.845 -10.962 825 1HG2 THR 61 HG22 THR 108 7.697 15.641 -8.049 826 2HG2 THR 61 HG21 THR 108 8.031 16.732 -9.391 827 3HG2 THR 61 HG23 THR 108 7.400 15.116 -9.704 828 H LEU 62 HN LEU 109 9.225 17.350 -6.398 829 HA LEU 62 HA LEU 109 9.860 15.762 -4.081 830 1HB LEU 62 HB2 LEU 109 7.849 17.964 -4.591 831 2HB LEU 62 HB1 LEU 109 8.027 17.201 -3.015 832 HG LEU 62 HG LEU 109 10.327 18.496 -4.517 833 1HD1 LEU 62 HD13 LEU 109 8.508 19.627 -2.368 834 2HD1 LEU 62 HD12 LEU 109 10.021 20.374 -2.881 835 3HD1 LEU 62 HD11 LEU 109 8.684 20.217 -4.021 836 1HD2 LEU 62 HD23 LEU 109 9.969 17.298 -1.765 837 2HD2 LEU 62 HD22 LEU 109 11.295 17.077 -2.906 838 3HD2 LEU 62 HD21 LEU 109 11.150 18.582 -2.011 839 H LYS 63 HN LYS 110 7.231 15.769 -6.376 840 HA LYS 63 HA LYS 110 5.292 14.306 -4.887 841 1HB LYS 63 HB2 LYS 110 5.830 14.246 -7.873 842 2HB LYS 63 HB1 LYS 110 4.348 13.713 -7.088 843 1HG LYS 63 HG2 LYS 110 5.448 16.539 -7.112 844 2HG LYS 63 HG1 LYS 110 4.034 15.957 -7.987 845 1HD LYS 63 HD2 LYS 110 3.151 15.277 -5.621 846 2HD LYS 63 HD1 LYS 110 4.371 16.402 -5.024 847 1HE LYS 63 HE2 LYS 110 2.230 17.105 -7.049 848 2HE LYS 63 HE1 LYS 110 2.158 17.493 -5.331 849 1HZ LYS 63 HZ2 LYS 110 4.248 18.724 -5.590 850 2HZ LYS 63 HZ1 LYS 110 4.217 18.414 -7.260 851 3HZ LYS 63 HZ3 LYS 110 3.004 19.364 -6.554 852 H ILE 64 HN ILE 111 8.272 13.285 -6.314 853 HA ILE 64 HA ILE 111 7.624 10.426 -5.629 854 HB ILE 64 HB ILE 111 9.086 11.487 -8.078 855 1HG1 ILE 64 HG12 ILE 111 6.652 11.431 -8.331 856 2HG1 ILE 64 HG11 ILE 111 7.390 10.177 -9.315 857 1HG2 ILE 64 HG23 ILE 111 8.952 8.702 -6.913 858 2HG2 ILE 64 HG22 ILE 111 9.284 8.981 -8.622 859 3HG2 ILE 64 HG21 ILE 111 10.380 9.620 -7.396 860 1HD1 ILE 64 HD11 ILE 111 6.952 8.731 -7.071 861 2HD1 ILE 64 HD13 ILE 111 5.666 9.922 -6.898 862 3HD1 ILE 64 HD12 ILE 111 5.744 8.904 -8.335 863 H CYS 65 HN CYS 112 9.360 9.326 -4.600 864 HA CYS 65 HA CYS 112 11.772 10.998 -3.984 865 1HB CYS 65 HB2 CYS 112 11.113 8.422 -2.549 866 2HB CYS 65 HB1 CYS 112 12.065 9.789 -1.983 867 H SER 66 HN SER 113 13.642 10.392 -5.026 868 HA SER 66 HA SER 113 13.569 8.067 -6.795 869 1HB SER 66 HB2 SER 113 15.803 10.011 -6.147 870 2HB SER 66 HB1 SER 113 15.881 8.776 -7.401 871 HG SER 66 HG SER 113 15.030 10.327 -8.557 872 H TRP 67 HN TRP 114 14.751 6.164 -6.621 873 HA TRP 67 HA TRP 114 15.504 5.309 -3.939 874 1HB TRP 67 HB2 TRP 114 15.701 3.965 -6.654 875 2HB TRP 67 HB1 TRP 114 16.194 3.187 -5.147 876 HD1 TRP 67 HD1 TRP 114 13.112 5.182 -6.321 877 HE1 TRP 67 HE1 TRP 114 10.998 4.006 -5.445 878 HE3 TRP 67 HE3 TRP 114 15.224 1.255 -3.857 879 HZ2 TRP 67 HZ2 TRP 114 10.317 1.733 -3.875 880 HZ3 TRP 67 HZ3 TRP 114 13.825 -0.401 -2.683 881 HH2 TRP 67 HH2 TRP 114 11.366 -0.166 -2.704 882 H ASN 68 HN ASN 115 17.060 6.990 -6.422 883 HA ASN 68 HA ASN 115 19.694 6.011 -6.435 884 1HB ASN 68 HB2 ASN 115 18.689 8.878 -6.508 885 2HB ASN 68 HB1 ASN 115 20.371 8.423 -6.806 886 1HD2 ASN 68 HD22 ASN 115 18.116 6.431 -9.507 887 2HD2 ASN 68 HD21 ASN 115 18.067 6.060 -7.852 888 H VAL 69 HN VAL 116 17.892 7.188 -3.816 889 HA VAL 69 HA VAL 116 19.985 8.353 -2.227 890 HB VAL 69 HB VAL 116 18.459 7.755 -0.294 891 1HG1 VAL 69 HG13 VAL 116 18.274 9.880 -1.562 892 2HG1 VAL 69 HG12 VAL 116 17.148 9.100 -2.675 893 3HG1 VAL 69 HG11 VAL 116 16.706 9.319 -0.981 894 1HG2 VAL 69 HG23 VAL 116 17.531 5.693 -1.347 895 2HG2 VAL 69 HG22 VAL 116 16.262 6.806 -0.840 896 3HG2 VAL 69 HG21 VAL 116 16.710 6.698 -2.539 897 H ASP 70 HN ASP 117 21.417 7.357 -0.774 898 HA ASP 70 HA ASP 117 22.300 4.721 -1.364 899 1HB ASP 70 HB2 ASP 117 22.712 6.472 1.076 900 2HB ASP 70 HB1 ASP 117 23.534 4.927 0.848 901 H GLY 71 HN GLY 118 20.135 5.943 1.175 902 1HA GLY 71 HA2 GLY 118 18.763 3.409 1.371 903 2HA GLY 71 HA1 GLY 118 19.837 3.652 2.748 No H/Q in entry = 903 Start of MODEL 31 1 1H MET 1 HT1 MET 1 -8.816 -1.551 8.332 2 2H MET 1 HT3 MET 1 -8.928 -3.037 9.144 3 3H MET 1 HT2 MET 1 -9.840 -1.705 9.678 4 HA MET 1 HA MET 1 -8.050 -0.650 10.618 5 1HB MET 1 HB2 MET 1 -7.490 -3.624 10.777 6 2HB MET 1 HB1 MET 1 -6.782 -2.414 11.847 7 1HG MET 1 HG2 MET 1 -9.763 -2.794 11.489 8 2HG MET 1 HG1 MET 1 -8.831 -3.547 12.785 9 1HE MET 1 HE1 MET 1 -11.235 -1.999 13.259 10 2HE MET 1 HE3 MET 1 -10.291 -2.342 14.717 11 3HE MET 1 HE2 MET 1 -10.918 -0.721 14.431 12 H VAL 2 HN VAL 2 -5.653 -0.407 10.783 13 HA VAL 2 HA VAL 2 -4.386 -0.762 8.100 14 HB VAL 2 HB VAL 2 -3.665 0.969 10.486 15 1HG1 VAL 2 HG11 VAL 2 -2.265 0.484 7.845 16 2HG1 VAL 2 HG13 VAL 2 -2.011 1.954 8.784 17 3HG1 VAL 2 HG12 VAL 2 -1.581 0.386 9.466 18 1HG2 VAL 2 HG23 VAL 2 -5.632 1.617 9.043 19 2HG2 VAL 2 HG22 VAL 2 -4.316 2.787 9.030 20 3HG2 VAL 2 HG21 VAL 2 -4.526 1.690 7.671 21 H LYS 3 HN LYS 3 -2.496 -1.983 7.853 22 HA LYS 3 HA LYS 3 -1.345 -3.284 10.298 23 1HB LYS 3 HB2 LYS 3 -2.859 -4.829 9.002 24 2HB LYS 3 HB1 LYS 3 -1.818 -4.601 7.602 25 1HG LYS 3 HG2 LYS 3 -1.064 -6.622 8.594 26 2HG LYS 3 HG1 LYS 3 0.113 -5.415 9.090 27 1HD LYS 3 HD2 LYS 3 -0.788 -5.284 11.292 28 2HD LYS 3 HD1 LYS 3 -2.265 -6.122 10.821 29 1HE LYS 3 HE2 LYS 3 -0.804 -7.656 12.040 30 2HE LYS 3 HE1 LYS 3 -0.910 -8.161 10.352 31 1HZ LYS 3 HZ3 LYS 3 1.172 -6.274 10.723 32 2HZ LYS 3 HZ2 LYS 3 1.378 -7.601 11.766 33 3HZ LYS 3 HZ1 LYS 3 1.250 -7.845 10.090 34 H GLN 4 HN GLN 4 0.832 -3.073 10.394 35 HA GLN 4 HA GLN 4 2.271 -1.938 8.043 36 1HB GLN 4 HB2 GLN 4 2.541 -0.813 10.238 37 2HB GLN 4 HB1 GLN 4 3.159 -2.317 10.923 38 1HG GLN 4 HG2 GLN 4 5.054 -2.284 9.366 39 2HG GLN 4 HG1 GLN 4 4.419 -0.831 8.595 40 1HE2 GLN 4 HE22 GLN 4 6.501 0.978 10.819 41 2HE2 GLN 4 HE21 GLN 4 6.185 0.559 9.203 42 H ILE 5 HN ILE 5 3.436 -3.318 6.790 43 HA ILE 5 HA ILE 5 4.155 -6.019 7.862 44 HB ILE 5 HB ILE 5 4.378 -4.990 5.027 45 1HG1 ILE 5 HG12 ILE 5 2.054 -4.802 5.671 46 2HG1 ILE 5 HG11 ILE 5 2.240 -6.235 4.661 47 1HG2 ILE 5 HG21 ILE 5 4.350 -7.744 6.267 48 2HG2 ILE 5 HG23 ILE 5 4.258 -7.432 4.545 49 3HG2 ILE 5 HG22 ILE 5 5.700 -6.967 5.439 50 1HD1 ILE 5 HD11 ILE 5 2.533 -7.529 6.894 51 2HD1 ILE 5 HD13 ILE 5 1.847 -6.091 7.648 52 3HD1 ILE 5 HD12 ILE 5 0.911 -6.994 6.461 53 H GLU 6 HN GLU 6 6.178 -6.095 8.717 54 HA GLU 6 HA GLU 6 8.251 -4.223 7.675 55 1HB GLU 6 HB2 GLU 6 8.299 -6.066 10.090 56 2HB GLU 6 HB1 GLU 6 9.545 -4.892 9.661 57 1HG GLU 6 HG2 GLU 6 6.670 -4.079 10.122 58 2HG GLU 6 HG1 GLU 6 7.847 -4.146 11.430 59 H SER 7 HN SER 7 7.158 -7.301 6.963 60 HA SER 7 HA SER 7 9.754 -7.976 5.718 61 1HB SER 7 HB2 SER 7 9.831 -10.222 6.746 62 2HB SER 7 HB1 SER 7 9.978 -8.943 7.952 63 HG SER 7 HG SER 7 8.405 -10.782 8.276 64 H LYS 8 HN LYS 8 9.612 -9.674 4.124 65 HA LYS 8 HA LYS 8 7.158 -9.750 2.636 66 1HB LYS 8 HB2 LYS 8 9.521 -10.223 1.767 67 2HB LYS 8 HB1 LYS 8 9.366 -11.817 2.512 68 1HG LYS 8 HG2 LYS 8 7.140 -11.989 1.187 69 2HG LYS 8 HG1 LYS 8 7.769 -10.636 0.245 70 1HD LYS 8 HD2 LYS 8 9.105 -13.334 0.632 71 2HD LYS 8 HD1 LYS 8 8.378 -12.730 -0.859 72 1HE LYS 8 HE2 LYS 8 10.029 -10.752 -0.636 73 2HE LYS 8 HE1 LYS 8 10.870 -11.762 0.541 74 1HZ LYS 8 HZ1 LYS 8 10.170 -13.031 -1.984 75 2HZ LYS 8 HZ3 LYS 8 11.369 -11.831 -2.064 76 3HZ LYS 8 HZ2 LYS 8 11.578 -13.175 -1.046 77 H THR 9 HN THR 9 8.563 -11.800 5.121 78 HA THR 9 HA THR 9 6.885 -14.060 4.836 79 HB THR 9 HB THR 9 7.943 -12.861 7.406 80 HG1 THR 9 HG1 THR 9 9.199 -14.994 6.194 81 1HG2 THR 9 HG21 THR 9 6.990 -15.641 6.673 82 2HG2 THR 9 HG23 THR 9 7.880 -15.265 8.150 83 3HG2 THR 9 HG22 THR 9 6.288 -14.556 7.875 84 H ALA 10 HN ALA 10 6.403 -11.124 6.794 85 HA ALA 10 HA ALA 10 3.763 -11.931 7.656 86 1HB ALA 10 HB1 ALA 10 5.276 -9.319 7.674 87 2HB ALA 10 HB3 ALA 10 3.573 -9.373 8.135 88 3HB ALA 10 HB2 ALA 10 4.766 -10.300 9.045 89 H PHE 11 HN PHE 11 5.060 -10.220 4.876 90 HA PHE 11 HA PHE 11 2.666 -9.010 3.914 91 1HB PHE 11 HB2 PHE 11 5.042 -8.764 2.963 92 2HB PHE 11 HB1 PHE 11 4.804 -10.317 2.192 93 HD1 PHE 11 HD1 PHE 11 2.969 -7.071 2.607 94 HD2 PHE 11 HD2 PHE 11 4.014 -10.309 -0.012 95 HE1 PHE 11 HE1 PHE 11 1.790 -5.944 0.741 96 HE2 PHE 11 HE2 PHE 11 2.829 -9.182 -1.877 97 HZ PHE 11 HZ PHE 11 1.716 -7.003 -1.499 98 H GLN 12 HN GLN 12 4.040 -12.224 3.399 99 HA GLN 12 HA GLN 12 2.007 -13.195 1.633 100 1HB GLN 12 HB2 GLN 12 3.809 -14.638 3.611 101 2HB GLN 12 HB1 GLN 12 2.869 -15.439 2.353 102 1HG GLN 12 HG2 GLN 12 4.955 -13.297 1.840 103 2HG GLN 12 HG1 GLN 12 5.245 -15.026 1.679 104 1HE2 GLN 12 HE22 GLN 12 3.113 -15.301 -1.264 105 2HE2 GLN 12 HE21 GLN 12 3.528 -16.165 0.137 106 H GLU 13 HN GLU 13 2.388 -13.337 5.164 107 HA GLU 13 HA GLU 13 0.019 -14.871 5.679 108 1HB GLU 13 HB2 GLU 13 1.762 -13.049 7.330 109 2HB GLU 13 HB1 GLU 13 0.273 -13.679 8.012 110 1HG GLU 13 HG2 GLU 13 2.119 -15.171 8.586 111 2HG GLU 13 HG1 GLU 13 1.035 -15.991 7.466 112 H ALA 14 HN ALA 14 0.576 -11.389 5.440 113 HA ALA 14 HA ALA 14 -2.040 -10.620 6.313 114 1HB ALA 14 HB3 ALA 14 0.001 -9.122 6.092 115 2HB ALA 14 HB2 ALA 14 -0.287 -9.117 4.354 116 3HB ALA 14 HB1 ALA 14 -1.495 -8.444 5.447 117 H LEU 15 HN LEU 15 -0.689 -11.350 3.091 118 HA LEU 15 HA LEU 15 -3.038 -10.660 1.619 119 1HB LEU 15 HB2 LEU 15 -0.885 -12.718 1.063 120 2HB LEU 15 HB1 LEU 15 -2.149 -12.288 -0.082 121 HG LEU 15 HG LEU 15 -0.349 -10.202 1.148 122 1HD1 LEU 15 HD12 LEU 15 0.152 -11.988 -1.232 123 2HD1 LEU 15 HD11 LEU 15 0.865 -10.378 -1.141 124 3HD1 LEU 15 HD13 LEU 15 1.244 -11.579 0.091 125 1HD2 LEU 15 HD22 LEU 15 -2.248 -10.314 -1.198 126 2HD2 LEU 15 HD21 LEU 15 -2.155 -9.128 0.098 127 3HD2 LEU 15 HD23 LEU 15 -0.939 -9.136 -1.172 128 H ASP 16 HN ASP 16 -2.005 -13.656 3.218 129 HA ASP 16 HA ASP 16 -4.250 -15.216 2.321 130 1HB ASP 16 HB2 ASP 16 -2.008 -16.064 3.252 131 2HB ASP 16 HB1 ASP 16 -2.680 -15.735 4.853 132 H ALA 17 HN ALA 17 -3.675 -13.166 5.139 133 HA ALA 17 HA ALA 17 -6.026 -13.966 6.609 134 1HB ALA 17 HB3 ALA 17 -4.329 -11.459 6.696 135 2HB ALA 17 HB2 ALA 17 -5.628 -11.798 7.841 136 3HB ALA 17 HB1 ALA 17 -4.217 -12.856 7.766 137 H ALA 18 HN ALA 18 -5.394 -11.453 4.212 138 HA ALA 18 HA ALA 18 -7.842 -10.015 4.475 139 1HB ALA 18 HB3 ALA 18 -5.942 -10.475 2.174 140 2HB ALA 18 HB2 ALA 18 -7.385 -9.478 1.992 141 3HB ALA 18 HB1 ALA 18 -6.137 -9.021 3.153 142 H GLY 19 HN GLY 19 -6.973 -12.911 2.678 143 1HA GLY 19 HA2 GLY 19 -8.309 -14.563 1.711 144 2HA GLY 19 HA1 GLY 19 -9.679 -13.882 2.593 145 H ASP 20 HN ASP 20 -11.266 -13.287 1.187 146 HA ASP 20 HA ASP 20 -10.570 -12.577 -1.594 147 1HB ASP 20 HB2 ASP 20 -13.261 -12.852 -0.223 148 2HB ASP 20 HB1 ASP 20 -13.001 -12.640 -1.957 149 H LYS 21 HN LYS 21 -10.669 -10.826 1.206 150 HA LYS 21 HA LYS 21 -12.231 -8.528 0.341 151 1HB LYS 21 HB2 LYS 21 -10.084 -8.798 2.467 152 2HB LYS 21 HB1 LYS 21 -11.077 -7.362 2.228 153 1HG LYS 21 HG2 LYS 21 -13.095 -9.004 2.481 154 2HG LYS 21 HG1 LYS 21 -11.911 -10.091 3.207 155 1HD LYS 21 HD2 LYS 21 -11.259 -8.080 4.701 156 2HD LYS 21 HD1 LYS 21 -12.779 -7.361 4.162 157 1HE LYS 21 HE2 LYS 21 -13.985 -9.392 4.958 158 2HE LYS 21 HE1 LYS 21 -12.458 -10.020 5.578 159 1HZ LYS 21 HZ2 LYS 21 -12.394 -7.682 6.721 160 2HZ LYS 21 HZ1 LYS 21 -14.083 -7.788 6.543 161 3HZ LYS 21 HZ3 LYS 21 -13.247 -8.976 7.420 162 H LEU 22 HN LEU 22 -11.380 -6.493 -0.450 163 HA LEU 22 HA LEU 22 -9.211 -6.683 -2.290 164 1HB LEU 22 HB2 LEU 22 -11.214 -4.840 -1.787 165 2HB LEU 22 HB1 LEU 22 -9.798 -3.976 -1.220 166 HG LEU 22 HG LEU 22 -10.256 -5.094 -3.985 167 1HD1 LEU 22 HD12 LEU 22 -10.595 -2.444 -2.739 168 2HD1 LEU 22 HD11 LEU 22 -9.570 -2.383 -4.167 169 3HD1 LEU 22 HD13 LEU 22 -11.193 -3.051 -4.275 170 1HD2 LEU 22 HD23 LEU 22 -7.757 -3.973 -2.703 171 2HD2 LEU 22 HD22 LEU 22 -7.929 -5.428 -3.688 172 3HD2 LEU 22 HD21 LEU 22 -8.025 -3.844 -4.441 173 H VAL 23 HN VAL 23 -7.066 -5.628 -2.077 174 HA VAL 23 HA VAL 23 -6.195 -5.048 0.704 175 HB VAL 23 HB VAL 23 -4.924 -7.101 -1.133 176 1HG1 VAL 23 HG13 VAL 23 -3.979 -5.757 1.402 177 2HG1 VAL 23 HG12 VAL 23 -3.414 -7.370 0.969 178 3HG1 VAL 23 HG11 VAL 23 -3.102 -6.009 -0.109 179 1HG2 VAL 23 HG22 VAL 23 -6.346 -7.267 1.531 180 2HG2 VAL 23 HG21 VAL 23 -6.772 -8.084 0.029 181 3HG2 VAL 23 HG23 VAL 23 -5.323 -8.560 0.909 182 H VAL 24 HN VAL 24 -5.363 -3.038 0.473 183 HA VAL 24 HA VAL 24 -3.883 -2.383 -2.040 184 HB VAL 24 HB VAL 24 -4.869 -0.503 0.140 185 1HG1 VAL 24 HG11 VAL 24 -2.952 0.274 -1.311 186 2HG1 VAL 24 HG13 VAL 24 -4.006 0.072 -2.712 187 3HG1 VAL 24 HG12 VAL 24 -4.412 1.251 -1.467 188 1HG2 VAL 24 HG23 VAL 24 -6.118 -1.450 -2.443 189 2HG2 VAL 24 HG22 VAL 24 -6.830 -1.424 -0.833 190 3HG2 VAL 24 HG21 VAL 24 -6.568 0.086 -1.706 191 H VAL 25 HN VAL 25 -1.703 -1.864 -1.938 192 HA VAL 25 HA VAL 25 -0.406 -1.945 0.775 193 HB VAL 25 HB VAL 25 0.742 -2.946 -1.851 194 1HG1 VAL 25 HG13 VAL 25 1.692 -3.158 1.014 195 2HG1 VAL 25 HG12 VAL 25 2.473 -3.923 -0.371 196 3HG1 VAL 25 HG11 VAL 25 2.427 -2.164 -0.244 197 1HG2 VAL 25 HG21 VAL 25 -1.192 -4.299 -0.950 198 2HG2 VAL 25 HG23 VAL 25 0.331 -5.182 -1.020 199 3HG2 VAL 25 HG22 VAL 25 -0.253 -4.552 0.520 200 H ASP 26 HN ASP 26 0.473 -0.039 1.254 201 HA ASP 26 HA ASP 26 1.185 1.845 -0.952 202 1HB ASP 26 HB2 ASP 26 -0.270 2.710 0.826 203 2HB ASP 26 HB1 ASP 26 0.944 2.293 2.036 204 H PHE 27 HN PHE 27 3.268 1.550 -1.623 205 HA PHE 27 HA PHE 27 5.380 0.825 0.357 206 1HB PHE 27 HB2 PHE 27 5.393 1.222 -2.664 207 2HB PHE 27 HB1 PHE 27 6.860 0.940 -1.724 208 HD1 PHE 27 HD1 PHE 27 7.230 -1.202 -0.578 209 HD2 PHE 27 HD2 PHE 27 3.785 -0.551 -3.060 210 HE1 PHE 27 HE1 PHE 27 6.823 -3.648 -0.654 211 HE2 PHE 27 HE2 PHE 27 3.381 -2.995 -3.133 212 HZ PHE 27 HZ PHE 27 4.896 -4.542 -1.932 213 H SER 28 HN SER 28 5.791 2.652 1.568 214 HA SER 28 HA SER 28 6.563 5.137 0.056 215 1HB SER 28 HB2 SER 28 5.106 4.978 2.712 216 2HB SER 28 HB1 SER 28 5.660 6.452 1.930 217 HG SER 28 HG SER 28 4.040 4.662 0.498 218 H ALA 29 HN ALA 29 8.381 6.213 0.898 219 HA ALA 29 HA ALA 29 10.078 4.546 2.643 220 1HB ALA 29 HB2 ALA 29 10.484 7.018 0.976 221 2HB ALA 29 HB1 ALA 29 11.651 6.639 2.242 222 3HB ALA 29 HB3 ALA 29 11.367 5.498 0.925 223 H THR 30 HN THR 30 10.044 4.818 4.804 224 HA THR 30 HA THR 30 8.462 6.875 6.027 225 HB THR 30 HB THR 30 8.947 4.731 7.155 226 HG1 THR 30 HG1 THR 30 8.455 6.426 8.501 227 1HG2 THR 30 HG21 THR 30 11.343 4.661 6.273 228 2HG2 THR 30 HG23 THR 30 11.749 5.769 7.583 229 3HG2 THR 30 HG22 THR 30 11.113 4.168 7.952 230 H TRP 31 HN TRP 31 11.895 6.577 5.242 231 HA TRP 31 HA TRP 31 12.725 8.936 6.733 232 1HB TRP 31 HB2 TRP 31 14.806 8.771 5.473 233 2HB TRP 31 HB1 TRP 31 14.299 7.164 5.992 234 HD1 TRP 31 HD1 TRP 31 13.871 5.418 4.234 235 HE1 TRP 31 HE1 TRP 31 13.943 5.331 1.663 236 HE3 TRP 31 HE3 TRP 31 14.265 10.405 3.202 237 HZ2 TRP 31 HZ2 TRP 31 14.108 7.135 -0.536 238 HZ3 TRP 31 HZ3 TRP 31 14.355 11.191 0.856 239 HH2 TRP 31 HH2 TRP 31 14.280 9.564 -1.013 240 H CYS 32 HN CYS 32 11.236 8.477 3.611 241 HA CYS 32 HA CYS 32 11.988 11.162 2.652 242 1HB CYS 32 HB2 CYS 32 11.562 9.042 1.196 243 2HB CYS 32 HB1 CYS 32 9.858 9.375 1.445 244 H GLY 33 HN GLY 33 11.017 12.847 3.579 245 1HA GLY 33 HA2 GLY 33 8.710 12.731 5.203 246 2HA GLY 33 HA1 GLY 33 9.368 14.208 4.508 247 HA PRO 34 HA PRO 34 6.285 14.585 1.342 248 1HB PRO 34 HB2 PRO 34 7.760 13.084 -0.772 249 2HB PRO 34 HB1 PRO 34 7.139 14.741 -0.796 250 1HG PRO 34 HG2 PRO 34 9.790 14.188 -0.561 251 2HG PRO 34 HG1 PRO 34 9.049 15.617 0.177 252 1HD PRO 34 HD2 PRO 34 10.028 13.129 1.481 253 2HD PRO 34 HD1 PRO 34 9.854 14.761 2.171 254 H ALA 35 HN ALA 35 7.687 11.311 1.322 255 HA ALA 35 HA ALA 35 5.275 10.053 0.289 256 1HB ALA 35 HB1 ALA 35 7.777 9.236 0.257 257 2HB ALA 35 HB3 ALA 35 7.373 8.551 1.830 258 3HB ALA 35 HB2 ALA 35 6.476 8.058 0.393 259 H LYS 36 HN LYS 36 6.852 9.976 3.501 260 HA LYS 36 HA LYS 36 4.708 8.632 4.799 261 1HB LYS 36 HB2 LYS 36 7.025 8.995 5.741 262 2HB LYS 36 HB1 LYS 36 6.550 10.659 6.091 263 1HG LYS 36 HG2 LYS 36 4.582 9.732 7.380 264 2HG LYS 36 HG1 LYS 36 5.282 8.130 7.174 265 1HD LYS 36 HD2 LYS 36 7.346 8.887 8.313 266 2HD LYS 36 HD1 LYS 36 6.625 10.483 8.541 267 1HE LYS 36 HE2 LYS 36 5.466 7.891 9.604 268 2HE LYS 36 HE1 LYS 36 6.379 9.055 10.564 269 1HZ LYS 36 HZ3 LYS 36 3.871 9.657 9.096 270 2HZ LYS 36 HZ2 LYS 36 3.967 9.345 10.763 271 3HZ LYS 36 HZ1 LYS 36 4.721 10.720 10.107 272 H MET 37 HN MET 37 5.272 12.063 4.182 273 HA MET 37 HA MET 37 3.199 13.113 5.812 274 1HB MET 37 HB2 MET 37 4.985 14.435 4.633 275 2HB MET 37 HB1 MET 37 4.082 14.216 3.137 276 1HG MET 37 HG2 MET 37 2.082 15.235 4.283 277 2HG MET 37 HG1 MET 37 3.127 15.605 5.652 278 1HE MET 37 HE1 MET 37 5.331 16.640 5.446 279 2HE MET 37 HE3 MET 37 5.563 18.163 4.573 280 3HE MET 37 HE2 MET 37 4.296 18.024 5.791 281 H ILE 38 HN ILE 38 3.112 11.555 2.696 282 HA ILE 38 HA ILE 38 0.379 12.369 2.092 283 HB ILE 38 HB ILE 38 2.248 10.330 0.858 284 1HG1 ILE 38 HG12 ILE 38 1.169 12.877 -0.360 285 2HG1 ILE 38 HG11 ILE 38 2.600 12.897 0.666 286 1HG2 ILE 38 HG23 ILE 38 -0.621 11.020 0.226 287 2HG2 ILE 38 HG22 ILE 38 0.471 10.516 -1.062 288 3HG2 ILE 38 HG21 ILE 38 0.152 9.434 0.292 289 1HD1 ILE 38 HD12 ILE 38 2.271 11.173 -1.794 290 2HD1 ILE 38 HD11 ILE 38 3.179 12.686 -1.732 291 3HD1 ILE 38 HD13 ILE 38 3.710 11.295 -0.796 292 H LYS 39 HN LYS 39 1.613 10.131 4.288 293 HA LYS 39 HA LYS 39 -0.122 7.951 3.751 294 1HB LYS 39 HB2 LYS 39 0.487 6.968 5.757 295 2HB LYS 39 HB1 LYS 39 1.910 7.876 5.273 296 1HG LYS 39 HG2 LYS 39 1.322 9.673 6.861 297 2HG LYS 39 HG1 LYS 39 -0.135 8.815 7.334 298 1HD LYS 39 HD2 LYS 39 2.745 8.029 7.840 299 2HD LYS 39 HD1 LYS 39 1.485 8.361 9.024 300 1HE LYS 39 HE2 LYS 39 0.247 6.335 8.011 301 2HE LYS 39 HE1 LYS 39 1.792 5.935 7.249 302 1HZ LYS 39 HZ1 LYS 39 1.812 6.548 10.102 303 2HZ LYS 39 HZ3 LYS 39 1.164 5.056 9.629 304 3HZ LYS 39 HZ2 LYS 39 2.762 5.455 9.217 305 HA PRO 40 HA PRO 40 -3.085 9.957 7.099 306 1HB PRO 40 HB2 PRO 40 -3.501 12.519 5.633 307 2HB PRO 40 HB1 PRO 40 -3.407 12.221 7.381 308 1HG PRO 40 HG2 PRO 40 -1.400 13.427 6.078 309 2HG PRO 40 HG1 PRO 40 -1.080 12.288 7.396 310 1HD PRO 40 HD2 PRO 40 -0.837 11.864 4.448 311 2HD PRO 40 HD1 PRO 40 0.206 11.242 5.747 312 H PHE 41 HN PHE 41 -3.266 10.752 3.595 313 HA PHE 41 HA PHE 41 -6.138 10.359 3.512 314 1HB PHE 41 HB2 PHE 41 -4.000 10.271 1.366 315 2HB PHE 41 HB1 PHE 41 -5.707 10.034 1.031 316 HD1 PHE 41 HD2 PHE 41 -3.352 12.425 2.656 317 HD2 PHE 41 HD1 PHE 41 -7.104 11.870 0.637 318 HE1 PHE 41 HE2 PHE 41 -3.671 14.884 2.579 319 HE2 PHE 41 HE1 PHE 41 -7.424 14.335 0.562 320 HZ PHE 41 HZ PHE 41 -5.705 15.839 1.530 321 H PHE 42 HN PHE 42 -3.334 8.331 2.816 322 HA PHE 42 HA PHE 42 -4.750 5.980 2.008 323 1HB PHE 42 HB2 PHE 42 -2.368 6.343 1.563 324 2HB PHE 42 HB1 PHE 42 -2.024 6.313 3.296 325 HD1 PHE 42 HD1 PHE 42 -3.362 4.294 0.477 326 HD2 PHE 42 HD2 PHE 42 -1.765 4.269 4.459 327 HE1 PHE 42 HE1 PHE 42 -3.225 1.825 0.413 328 HE2 PHE 42 HE2 PHE 42 -1.620 1.798 4.391 329 HZ PHE 42 HZ PHE 42 -2.353 0.572 2.364 330 H HIS 43 HN HIS 43 -3.339 6.914 5.111 331 HA HIS 43 HA HIS 43 -4.321 4.645 6.564 332 1HB HIS 43 HB2 HIS 43 -2.391 5.965 7.297 333 2HB HIS 43 HB1 HIS 43 -3.406 7.390 7.489 334 HD1 HIS 43 HD1 HIS 43 -2.429 4.217 9.155 335 HD2 HIS 43 HD2 HIS 43 -5.234 7.239 9.696 336 HE1 HIS 43 HE1 HIS 43 -3.425 3.863 11.459 337 H SER 44 HN SER 44 -5.523 7.987 6.177 338 HA SER 44 HA SER 44 -7.730 7.747 7.945 339 1HB SER 44 HB2 SER 44 -7.470 9.453 5.461 340 2HB SER 44 HB1 SER 44 -8.718 9.640 6.688 341 HG SER 44 HG SER 44 -7.264 10.378 8.080 342 H LEU 45 HN LEU 45 -7.416 6.865 4.509 343 HA LEU 45 HA LEU 45 -10.198 6.399 4.056 344 1HB LEU 45 HB2 LEU 45 -7.727 5.297 2.748 345 2HB LEU 45 HB1 LEU 45 -9.335 4.835 2.211 346 HG LEU 45 HG LEU 45 -8.583 7.751 2.516 347 1HD1 LEU 45 HD12 LEU 45 -6.908 6.721 1.032 348 2HD1 LEU 45 HD11 LEU 45 -8.200 6.042 0.043 349 3HD1 LEU 45 HD13 LEU 45 -7.984 7.790 0.136 350 1HD2 LEU 45 HD23 LEU 45 -10.725 6.196 1.052 351 2HD2 LEU 45 HD22 LEU 45 -10.910 7.528 2.190 352 3HD2 LEU 45 HD21 LEU 45 -10.307 7.836 0.570 353 H SER 46 HN SER 46 -7.850 4.516 5.767 354 HA SER 46 HA SER 46 -8.915 1.926 5.495 355 1HB SER 46 HB2 SER 46 -7.848 3.222 8.032 356 2HB SER 46 HB1 SER 46 -8.013 1.492 7.756 357 HG SER 46 HG SER 46 -6.619 1.883 5.862 358 H GLU 47 HN GLU 47 -10.012 4.650 7.471 359 HA GLU 47 HA GLU 47 -12.188 3.033 8.624 360 1HB GLU 47 HB2 GLU 47 -11.460 5.976 8.848 361 2HB GLU 47 HB1 GLU 47 -12.847 5.244 9.654 362 1HG GLU 47 HG2 GLU 47 -11.094 5.217 11.271 363 2HG GLU 47 HG1 GLU 47 -11.203 3.561 10.671 364 H LYS 48 HN LYS 48 -11.679 5.004 5.795 365 HA LYS 48 HA LYS 48 -14.500 5.721 5.452 366 1HB LYS 48 HB2 LYS 48 -12.607 7.036 4.389 367 2HB LYS 48 HB1 LYS 48 -12.341 5.660 3.317 368 1HG LYS 48 HG2 LYS 48 -14.732 5.827 2.586 369 2HG LYS 48 HG1 LYS 48 -14.895 7.282 3.563 370 1HD LYS 48 HD2 LYS 48 -13.110 8.369 2.235 371 2HD LYS 48 HD1 LYS 48 -12.960 6.909 1.255 372 1HE LYS 48 HE2 LYS 48 -15.278 7.134 0.503 373 2HE LYS 48 HE1 LYS 48 -15.496 8.548 1.535 374 1HZ LYS 48 HZ2 LYS 48 -13.264 9.116 0.077 375 2HZ LYS 48 HZ1 LYS 48 -14.286 8.351 -1.046 376 3HZ LYS 48 HZ3 LYS 48 -14.826 9.724 -0.207 377 H TYR 49 HN TYR 49 -12.288 3.217 4.419 378 HA TYR 49 HA TYR 49 -14.623 1.632 3.371 379 1HB TYR 49 HB2 TYR 49 -11.766 1.703 2.326 380 2HB TYR 49 HB1 TYR 49 -12.995 0.559 1.793 381 HD1 TYR 49 HD2 TYR 49 -15.268 1.630 0.936 382 HD2 TYR 49 HD1 TYR 49 -11.532 3.746 1.202 383 HE1 TYR 49 HE2 TYR 49 -16.100 3.312 -0.688 384 HE2 TYR 49 HE1 TYR 49 -12.368 5.416 -0.423 385 HH TYR 49 HH TYR 49 -15.689 5.540 -1.397 386 H SER 50 HN SER 50 -14.444 1.226 5.835 387 HA SER 50 HA SER 50 -12.276 -0.297 6.901 388 1HB SER 50 HB2 SER 50 -13.749 -0.725 8.752 389 2HB SER 50 HB1 SER 50 -14.086 0.905 8.191 390 HG SER 50 HG SER 50 -15.982 0.282 7.461 391 H ASN 51 HN ASN 51 -14.517 -1.054 4.547 392 HA ASN 51 HA ASN 51 -14.610 -3.947 5.159 393 1HB ASN 51 HB2 ASN 51 -16.603 -2.664 4.223 394 2HB ASN 51 HB1 ASN 51 -15.701 -2.531 2.712 395 1HD2 ASN 51 HD22 ASN 51 -16.481 -5.816 1.704 396 2HD2 ASN 51 HD21 ASN 51 -15.844 -4.295 1.289 397 H VAL 52 HN VAL 52 -12.279 -2.054 4.132 398 HA VAL 52 HA VAL 52 -11.224 -4.013 2.139 399 HB VAL 52 HB VAL 52 -11.065 -0.985 2.112 400 1HG1 VAL 52 HG13 VAL 52 -9.317 -3.051 0.804 401 2HG1 VAL 52 HG12 VAL 52 -9.640 -1.531 -0.032 402 3HG1 VAL 52 HG11 VAL 52 -8.863 -1.525 1.548 403 1HG2 VAL 52 HG22 VAL 52 -12.063 -3.082 0.168 404 2HG2 VAL 52 HG21 VAL 52 -13.031 -1.888 1.032 405 3HG2 VAL 52 HG23 VAL 52 -11.908 -1.371 -0.227 406 H ILE 53 HN ILE 53 -8.908 -4.414 2.368 407 HA ILE 53 HA ILE 53 -7.904 -3.667 5.099 408 HB ILE 53 HB ILE 53 -6.736 -5.681 3.162 409 1HG1 ILE 53 HG12 ILE 53 -9.028 -6.374 3.575 410 2HG1 ILE 53 HG11 ILE 53 -7.963 -7.393 4.541 411 1HG2 ILE 53 HG22 ILE 53 -5.548 -4.686 5.346 412 2HG2 ILE 53 HG21 ILE 53 -6.555 -5.873 6.157 413 3HG2 ILE 53 HG23 ILE 53 -5.403 -6.391 4.928 414 1HD1 ILE 53 HD11 ILE 53 -8.372 -5.642 6.431 415 2HD1 ILE 53 HD13 ILE 53 -9.758 -5.152 5.457 416 3HD1 ILE 53 HD12 ILE 53 -9.651 -6.802 6.069 417 H PHE 54 HN PHE 54 -6.407 -2.017 5.198 418 HA PHE 54 HA PHE 54 -4.857 -1.319 2.717 419 1HB PHE 54 HB2 PHE 54 -5.511 0.304 5.202 420 2HB PHE 54 HB1 PHE 54 -4.450 0.862 3.915 421 HD1 PHE 54 HD1 PHE 54 -7.932 -0.297 4.615 422 HD2 PHE 54 HD2 PHE 54 -5.342 1.861 1.960 423 HE1 PHE 54 HE1 PHE 54 -9.902 0.559 3.376 424 HE2 PHE 54 HE2 PHE 54 -7.309 2.695 0.707 425 HZ PHE 54 HZ PHE 54 -9.589 2.038 1.414 426 H LEU 55 HN LEU 55 -2.646 -1.719 2.752 427 HA LEU 55 HA LEU 55 -1.348 -2.268 5.412 428 1HB LEU 55 HB2 LEU 55 -0.671 -3.411 2.680 429 2HB LEU 55 HB1 LEU 55 0.385 -3.564 4.081 430 HG LEU 55 HG LEU 55 -1.375 -4.788 5.285 431 1HD1 LEU 55 HD13 LEU 55 -3.015 -4.036 2.898 432 2HD1 LEU 55 HD12 LEU 55 -3.341 -5.583 3.688 433 3HD1 LEU 55 HD11 LEU 55 -3.448 -4.096 4.608 434 1HD2 LEU 55 HD21 LEU 55 -0.463 -5.758 2.589 435 2HD2 LEU 55 HD23 LEU 55 -0.004 -6.311 4.198 436 3HD2 LEU 55 HD22 LEU 55 -1.568 -6.760 3.535 437 H GLU 56 HN GLU 56 0.581 -1.224 5.872 438 HA GLU 56 HA GLU 56 1.501 0.829 3.874 439 1HB GLU 56 HB2 GLU 56 0.619 1.681 6.122 440 2HB GLU 56 HB1 GLU 56 1.995 0.867 6.869 441 1HG GLU 56 HG2 GLU 56 3.514 2.164 5.346 442 2HG GLU 56 HG1 GLU 56 2.103 3.071 4.791 443 H VAL 57 HN VAL 57 3.576 0.499 3.109 444 HA VAL 57 HA VAL 57 5.292 -1.493 4.587 445 HB VAL 57 HB VAL 57 5.002 -1.126 1.595 446 1HG1 VAL 57 HG12 VAL 57 6.580 -3.058 3.319 447 2HG1 VAL 57 HG11 VAL 57 6.282 -3.314 1.599 448 3HG1 VAL 57 HG13 VAL 57 7.221 -1.918 2.132 449 1HG2 VAL 57 HG21 VAL 57 4.010 -3.301 3.461 450 2HG2 VAL 57 HG23 VAL 57 3.004 -2.124 2.623 451 3HG2 VAL 57 HG22 VAL 57 3.895 -3.336 1.705 452 H ASP 58 HN ASP 58 7.413 -0.961 4.880 453 HA ASP 58 HA ASP 58 8.389 1.710 3.948 454 1HB ASP 58 HB2 ASP 58 8.446 0.992 6.399 455 2HB ASP 58 HB1 ASP 58 9.650 -0.216 5.915 456 H VAL 59 HN VAL 59 9.663 1.651 2.148 457 HA VAL 59 HA VAL 59 10.711 -0.830 1.085 458 HB VAL 59 HB VAL 59 11.866 0.643 -0.547 459 1HG1 VAL 59 HG11 VAL 59 8.981 1.370 0.062 460 2HG1 VAL 59 HG13 VAL 59 9.798 1.723 -1.457 461 3HG1 VAL 59 HG12 VAL 59 9.531 0.052 -0.969 462 1HG2 VAL 59 HG23 VAL 59 10.782 2.835 1.238 463 2HG2 VAL 59 HG22 VAL 59 12.478 2.476 0.920 464 3HG2 VAL 59 HG21 VAL 59 11.453 3.106 -0.370 465 H ASP 60 HN ASP 60 11.803 1.421 3.454 466 HA ASP 60 HA ASP 60 14.645 0.601 3.144 467 1HB ASP 60 HB2 ASP 60 13.184 2.677 4.757 468 2HB ASP 60 HB1 ASP 60 14.849 2.268 5.108 469 H ASP 61 HN ASP 61 12.001 0.299 5.544 470 HA ASP 61 HA ASP 61 13.775 -1.427 7.221 471 1HB ASP 61 HB2 ASP 61 10.949 -0.424 7.743 472 2HB ASP 61 HB1 ASP 61 11.946 -1.325 8.878 473 H ALA 62 HN ALA 62 11.318 -1.562 4.851 474 HA ALA 62 HA ALA 62 11.020 -4.511 5.265 475 1HB ALA 62 HB3 ALA 62 8.968 -2.798 5.625 476 2HB ALA 62 HB2 ALA 62 8.842 -2.990 3.876 477 3HB ALA 62 HB1 ALA 62 8.730 -4.400 4.931 478 H GLN 63 HN GLN 63 13.045 -3.273 3.803 479 HA GLN 63 HA GLN 63 12.539 -2.869 1.041 480 1HB GLN 63 HB2 GLN 63 14.914 -3.123 0.729 481 2HB GLN 63 HB1 GLN 63 14.678 -2.333 2.286 482 1HG GLN 63 HG2 GLN 63 14.838 -4.633 3.357 483 2HG GLN 63 HG1 GLN 63 15.349 -5.241 1.779 484 1HE2 GLN 63 HE22 GLN 63 18.083 -3.454 4.089 485 2HE2 GLN 63 HE21 GLN 63 16.574 -3.974 4.665 486 H ASP 64 HN ASP 64 12.780 -5.824 2.898 487 HA ASP 64 HA ASP 64 13.329 -7.588 0.727 488 1HB ASP 64 HB2 ASP 64 12.197 -9.319 2.195 489 2HB ASP 64 HB1 ASP 64 13.518 -8.445 2.963 490 H VAL 65 HN VAL 65 10.308 -6.229 1.996 491 HA VAL 65 HA VAL 65 8.587 -7.775 0.278 492 HB VAL 65 HB VAL 65 7.986 -5.026 1.406 493 1HG1 VAL 65 HG11 VAL 65 6.350 -5.976 -0.170 494 2HG1 VAL 65 HG13 VAL 65 6.252 -7.438 0.812 495 3HG1 VAL 65 HG12 VAL 65 5.687 -5.901 1.465 496 1HG2 VAL 65 HG23 VAL 65 8.149 -7.698 2.784 497 2HG2 VAL 65 HG22 VAL 65 8.721 -6.130 3.338 498 3HG2 VAL 65 HG21 VAL 65 6.998 -6.486 3.341 499 H ALA 66 HN ALA 66 9.947 -4.489 0.058 500 HA ALA 66 HA ALA 66 8.682 -3.888 -2.456 501 1HB ALA 66 HB1 ALA 66 9.681 -2.279 -0.676 502 2HB ALA 66 HB3 ALA 66 11.207 -2.551 -1.516 503 3HB ALA 66 HB2 ALA 66 9.837 -1.856 -2.380 504 H SER 67 HN SER 67 11.888 -5.190 -1.607 505 HA SER 67 HA SER 67 13.043 -4.919 -4.197 506 1HB SER 67 HB2 SER 67 14.624 -6.643 -3.502 507 2HB SER 67 HB1 SER 67 14.312 -5.566 -2.145 508 HG SER 67 HG SER 67 13.173 -8.124 -2.635 509 H GLU 68 HN GLU 68 10.880 -7.325 -2.850 510 HA GLU 68 HA GLU 68 11.085 -9.260 -4.943 511 1HB GLU 68 HB2 GLU 68 10.011 -9.641 -2.706 512 2HB GLU 68 HB1 GLU 68 8.660 -8.636 -3.231 513 1HG GLU 68 HG2 GLU 68 9.564 -11.039 -4.833 514 2HG GLU 68 HG1 GLU 68 8.404 -11.191 -3.517 515 H ALA 69 HN ALA 69 9.110 -6.343 -4.572 516 HA ALA 69 HA ALA 69 7.668 -6.877 -7.087 517 1HB ALA 69 HB3 ALA 69 7.583 -4.605 -5.094 518 2HB ALA 69 HB2 ALA 69 6.601 -4.650 -6.559 519 3HB ALA 69 HB1 ALA 69 6.386 -5.880 -5.314 520 H GLU 70 HN GLU 70 10.685 -5.617 -6.408 521 HA GLU 70 HA GLU 70 12.163 -4.267 -7.625 522 1HB GLU 70 HB2 GLU 70 10.210 -4.814 -9.884 523 2HB GLU 70 HB1 GLU 70 11.824 -4.135 -10.068 524 1HG GLU 70 HG2 GLU 70 11.249 -6.830 -8.831 525 2HG GLU 70 HG1 GLU 70 11.735 -6.583 -10.506 526 H VAL 71 HN VAL 71 10.457 -2.785 -6.059 527 HA VAL 71 HA VAL 71 8.922 -0.850 -7.525 528 HB VAL 71 HB VAL 71 10.350 -0.403 -4.879 529 1HG1 VAL 71 HG11 VAL 71 7.936 0.858 -6.225 530 2HG1 VAL 71 HG13 VAL 71 8.361 1.128 -4.536 531 3HG1 VAL 71 HG12 VAL 71 9.463 1.644 -5.816 532 1HG2 VAL 71 HG23 VAL 71 7.709 -1.748 -5.545 533 2HG2 VAL 71 HG22 VAL 71 9.047 -2.402 -4.605 534 3HG2 VAL 71 HG21 VAL 71 8.062 -1.100 -3.944 535 H LYS 72 HN LYS 72 9.610 0.842 -8.714 536 HA LYS 72 HA LYS 72 12.519 1.447 -8.745 537 1HB LYS 72 HB2 LYS 72 10.346 2.066 -10.758 538 2HB LYS 72 HB1 LYS 72 12.053 2.447 -10.963 539 1HG LYS 72 HG2 LYS 72 11.161 -0.399 -10.403 540 2HG LYS 72 HG1 LYS 72 11.150 0.240 -12.044 541 1HD LYS 72 HD2 LYS 72 13.596 0.874 -11.696 542 2HD LYS 72 HD1 LYS 72 13.541 -0.050 -10.199 543 1HE LYS 72 HE2 LYS 72 14.402 -1.469 -11.996 544 2HE LYS 72 HE1 LYS 72 12.813 -2.054 -11.500 545 1HZ LYS 72 HZ1 LYS 72 13.248 -0.197 -13.770 546 2HZ LYS 72 HZ3 LYS 72 13.144 -1.880 -13.945 547 3HZ LYS 72 HZ2 LYS 72 11.811 -1.007 -13.359 548 H ALA 73 HN ALA 73 9.564 2.733 -7.606 549 HA ALA 73 HA ALA 73 10.921 5.179 -6.779 550 1HB ALA 73 HB3 ALA 73 9.082 5.152 -9.116 551 2HB ALA 73 HB2 ALA 73 8.861 6.480 -7.977 552 3HB ALA 73 HB1 ALA 73 10.419 6.246 -8.760 553 H THR 74 HN THR 74 9.642 6.402 -5.203 554 HA THR 74 HA THR 74 7.122 5.053 -4.294 555 HB THR 74 HB THR 74 7.844 5.281 -1.973 556 HG1 THR 74 HG1 THR 74 9.469 6.491 -1.408 557 1HG2 THR 74 HG21 THR 74 9.890 4.067 -3.801 558 2HG2 THR 74 HG23 THR 74 10.066 4.006 -2.052 559 3HG2 THR 74 HG22 THR 74 8.673 3.253 -2.827 560 HA PRO 75 HA PRO 75 5.730 5.628 -2.372 561 1HB PRO 75 HB2 PRO 75 3.157 6.644 -2.446 562 2HB PRO 75 HB1 PRO 75 4.353 7.030 -1.201 563 1HG PRO 75 HG2 PRO 75 3.410 8.699 -3.479 564 2HG PRO 75 HG1 PRO 75 4.039 9.196 -1.901 565 1HD PRO 75 HD2 PRO 75 5.479 9.250 -4.327 566 2HD PRO 75 HD1 PRO 75 6.198 9.352 -2.695 567 H THR 76 HN THR 76 4.690 3.810 -3.153 568 HA THR 76 HA THR 76 3.390 3.966 -5.846 569 HB THR 76 HB THR 76 5.272 1.786 -4.893 570 HG1 THR 76 HG1 THR 76 5.544 3.627 -7.014 571 1HG2 THR 76 HG21 THR 76 3.547 2.130 -7.334 572 2HG2 THR 76 HG23 THR 76 4.990 1.118 -7.366 573 3HG2 THR 76 HG22 THR 76 3.670 0.736 -6.262 574 H PHE 77 HN PHE 77 1.458 2.920 -5.900 575 HA PHE 77 HA PHE 77 0.643 1.417 -3.434 576 1HB PHE 77 HB2 PHE 77 -1.078 2.786 -5.522 577 2HB PHE 77 HB1 PHE 77 -1.653 2.018 -4.044 578 HD1 PHE 77 HD1 PHE 77 -1.128 3.022 -1.806 579 HD2 PHE 77 HD2 PHE 77 0.008 4.935 -5.484 580 HE1 PHE 77 HE1 PHE 77 -0.724 5.144 -0.584 581 HE2 PHE 77 HE2 PHE 77 0.410 7.057 -4.259 582 HZ PHE 77 HZ PHE 77 0.043 7.163 -1.807 583 H GLN 78 HN GLN 78 0.153 -0.720 -3.655 584 HA GLN 78 HA GLN 78 -0.285 -1.809 -6.426 585 1HB GLN 78 HB2 GLN 78 1.267 -2.998 -4.107 586 2HB GLN 78 HB1 GLN 78 0.812 -3.902 -5.551 587 1HG GLN 78 HG2 GLN 78 2.017 -2.212 -6.933 588 2HG GLN 78 HG1 GLN 78 2.552 -1.421 -5.449 589 1HE2 GLN 78 HE22 GLN 78 5.408 -3.521 -5.682 590 2HE2 GLN 78 HE21 GLN 78 4.820 -1.931 -5.777 591 H PHE 79 HN PHE 79 -1.961 -3.199 -6.620 592 HA PHE 79 HA PHE 79 -3.684 -3.580 -4.198 593 1HB PHE 79 HB2 PHE 79 -4.339 -3.604 -7.150 594 2HB PHE 79 HB1 PHE 79 -5.496 -3.920 -5.855 595 HD1 PHE 79 HD2 PHE 79 -3.099 -1.397 -7.175 596 HD2 PHE 79 HD1 PHE 79 -6.468 -2.139 -4.631 597 HE1 PHE 79 HE2 PHE 79 -3.385 1.040 -6.842 598 HE2 PHE 79 HE1 PHE 79 -6.759 0.297 -4.294 599 HZ PHE 79 HZ PHE 79 -5.219 1.890 -5.403 600 H PHE 80 HN PHE 80 -4.175 -5.565 -3.538 601 HA PHE 80 HA PHE 80 -3.443 -7.879 -5.267 602 1HB PHE 80 HB2 PHE 80 -2.947 -7.496 -2.313 603 2HB PHE 80 HB1 PHE 80 -2.888 -9.074 -3.098 604 HD1 PHE 80 HD2 PHE 80 -1.271 -5.746 -2.835 605 HD2 PHE 80 HD1 PHE 80 -1.094 -9.654 -4.644 606 HE1 PHE 80 HE2 PHE 80 1.069 -5.332 -3.525 607 HE2 PHE 80 HE1 PHE 80 1.252 -9.224 -5.332 608 HZ PHE 80 HZ PHE 80 2.331 -7.064 -4.771 609 H LYS 81 HN LYS 81 -4.866 -9.617 -5.166 610 HA LYS 81 HA LYS 81 -7.247 -9.385 -3.401 611 1HB LYS 81 HB2 LYS 81 -7.681 -8.286 -5.669 612 2HB LYS 81 HB1 LYS 81 -7.435 -9.870 -6.394 613 1HG LYS 81 HG2 LYS 81 -9.773 -9.748 -6.126 614 2HG LYS 81 HG1 LYS 81 -9.247 -10.698 -4.742 615 1HD LYS 81 HD2 LYS 81 -9.442 -8.816 -3.264 616 2HD LYS 81 HD1 LYS 81 -9.631 -7.697 -4.612 617 1HE LYS 81 HE2 LYS 81 -11.568 -9.920 -3.932 618 2HE LYS 81 HE1 LYS 81 -11.791 -8.223 -3.501 619 1HZ LYS 81 HZ1 LYS 81 -11.443 -7.821 -5.996 620 2HZ LYS 81 HZ3 LYS 81 -11.793 -9.471 -6.172 621 3HZ LYS 81 HZ2 LYS 81 -12.943 -8.429 -5.476 622 H LYS 82 HN LYS 82 -7.441 -11.375 -2.457 623 HA LYS 82 HA LYS 82 -7.303 -13.695 -2.132 624 1HB LYS 82 HB2 LYS 82 -7.474 -13.675 -5.168 625 2HB LYS 82 HB1 LYS 82 -7.534 -15.130 -4.187 626 1HG LYS 82 HG2 LYS 82 -9.555 -14.444 -3.131 627 2HG LYS 82 HG1 LYS 82 -9.435 -12.813 -3.789 628 1HD LYS 82 HD2 LYS 82 -9.601 -13.815 -6.095 629 2HD LYS 82 HD1 LYS 82 -9.931 -15.372 -5.330 630 1HE LYS 82 HE2 LYS 82 -11.887 -14.417 -4.198 631 2HE LYS 82 HE1 LYS 82 -11.553 -12.848 -4.925 632 1HZ LYS 82 HZ2 LYS 82 -11.725 -13.954 -7.119 633 2HZ LYS 82 HZ1 LYS 82 -12.263 -15.360 -6.325 634 3HZ LYS 82 HZ3 LYS 82 -13.181 -13.936 -6.241 635 H GLY 83 HN GLY 83 -4.798 -12.030 -2.548 636 1HA GLY 83 HA2 GLY 83 -2.523 -12.653 -2.310 637 2HA GLY 83 HA1 GLY 83 -2.951 -14.300 -2.748 638 H GLN 84 HN GLN 84 -4.142 -11.892 -4.911 639 HA GLN 84 HA GLN 84 -1.840 -12.387 -6.764 640 1HB GLN 84 HB2 GLN 84 -4.801 -12.424 -7.383 641 2HB GLN 84 HB1 GLN 84 -3.539 -12.398 -8.615 642 1HG GLN 84 HG2 GLN 84 -2.586 -14.485 -7.624 643 2HG GLN 84 HG1 GLN 84 -3.952 -14.536 -6.507 644 1HE2 GLN 84 HE22 GLN 84 -6.170 -14.780 -9.592 645 2HE2 GLN 84 HE21 GLN 84 -5.914 -13.526 -8.472 646 H LYS 85 HN LYS 85 -1.169 -10.636 -7.984 647 HA LYS 85 HA LYS 85 -2.061 -7.993 -7.073 648 1HB LYS 85 HB2 LYS 85 0.324 -8.522 -7.578 649 2HB LYS 85 HB1 LYS 85 -0.106 -8.716 -9.278 650 1HG LYS 85 HG2 LYS 85 -0.986 -6.361 -9.255 651 2HG LYS 85 HG1 LYS 85 -0.392 -6.203 -7.607 652 1HD LYS 85 HD2 LYS 85 1.422 -5.337 -8.783 653 2HD LYS 85 HD1 LYS 85 1.899 -7.029 -8.670 654 1HE LYS 85 HE2 LYS 85 0.970 -7.447 -10.918 655 2HE LYS 85 HE1 LYS 85 0.468 -5.761 -11.026 656 1HZ LYS 85 HZ1 LYS 85 3.151 -5.762 -10.314 657 2HZ LYS 85 HZ3 LYS 85 2.993 -6.889 -11.572 658 3HZ LYS 85 HZ2 LYS 85 2.470 -5.290 -11.797 659 H VAL 86 HN VAL 86 -3.636 -6.825 -8.017 660 HA VAL 86 HA VAL 86 -4.505 -7.574 -10.791 661 HB VAL 86 HB VAL 86 -6.768 -6.791 -10.103 662 1HG1 VAL 86 HG11 VAL 86 -5.913 -9.217 -9.919 663 2HG1 VAL 86 HG13 VAL 86 -5.790 -8.916 -8.188 664 3HG1 VAL 86 HG12 VAL 86 -7.355 -8.804 -8.994 665 1HG2 VAL 86 HG23 VAL 86 -6.014 -5.305 -8.259 666 2HG2 VAL 86 HG22 VAL 86 -7.218 -6.466 -7.704 667 3HG2 VAL 86 HG21 VAL 86 -5.513 -6.723 -7.338 668 H GLY 87 HN GLY 87 -2.730 -5.273 -9.408 669 1HA GLY 87 HA2 GLY 87 -2.990 -3.387 -11.439 670 2HA GLY 87 HA1 GLY 87 -4.188 -2.901 -10.248 671 H GLU 88 HN GLU 88 -1.909 -1.347 -11.009 672 HA GLU 88 HA GLU 88 -0.895 -0.719 -8.365 673 1HB GLU 88 HB2 GLU 88 1.495 -1.079 -8.888 674 2HB GLU 88 HB1 GLU 88 0.603 -2.600 -8.895 675 1HG GLU 88 HG2 GLU 88 0.394 -2.425 -11.371 676 2HG GLU 88 HG1 GLU 88 1.377 -0.959 -11.329 677 H PHE 89 HN PHE 89 0.400 1.284 -8.407 678 HA PHE 89 HA PHE 89 0.962 2.565 -10.938 679 1HB PHE 89 HB2 PHE 89 -0.579 4.395 -10.901 680 2HB PHE 89 HB1 PHE 89 -1.516 2.911 -10.804 681 HD1 PHE 89 HD1 PHE 89 -0.211 5.790 -8.901 682 HD2 PHE 89 HD2 PHE 89 -2.857 2.415 -8.837 683 HE1 PHE 89 HE1 PHE 89 -1.302 6.690 -6.861 684 HE2 PHE 89 HE2 PHE 89 -3.945 3.308 -6.790 685 HZ PHE 89 HZ PHE 89 -3.177 5.454 -5.807 686 H SER 90 HN SER 90 1.879 4.797 -10.622 687 HA SER 90 HA SER 90 2.982 5.145 -7.853 688 1HB SER 90 HB2 SER 90 5.103 5.895 -8.854 689 2HB SER 90 HB1 SER 90 4.742 4.232 -9.320 690 HG SER 90 HG SER 90 3.610 5.951 -11.045 691 H GLY 91 HN GLY 91 3.682 7.330 -7.373 692 1HA GLY 91 HA2 GLY 91 3.711 9.720 -8.103 693 2HA GLY 91 HA1 GLY 91 2.193 9.417 -8.946 694 H ALA 92 HN ALA 92 2.961 11.225 -6.607 695 HA ALA 92 HA ALA 92 1.521 10.159 -4.322 696 1HB ALA 92 HB2 ALA 92 2.646 12.860 -5.039 697 2HB ALA 92 HB1 ALA 92 1.746 12.598 -3.546 698 3HB ALA 92 HB3 ALA 92 3.247 11.713 -3.846 699 H ASN 93 HN ASN 93 -0.495 9.724 -5.837 700 HA ASN 93 HA ASN 93 -2.284 12.140 -5.761 701 1HB ASN 93 HB2 ASN 93 -1.844 11.235 -8.076 702 2HB ASN 93 HB1 ASN 93 -2.606 9.727 -7.560 703 1HD2 ASN 93 HD22 ASN 93 -4.908 12.899 -8.510 704 2HD2 ASN 93 HD21 ASN 93 -3.224 12.926 -8.682 705 H LYS 94 HN LYS 94 -3.227 11.807 -3.768 706 HA LYS 94 HA LYS 94 -3.922 9.224 -2.709 707 1HB LYS 94 HB2 LYS 94 -5.280 10.619 -1.112 708 2HB LYS 94 HB1 LYS 94 -3.577 11.043 -1.200 709 1HG LYS 94 HG2 LYS 94 -5.294 12.520 -3.130 710 2HG LYS 94 HG1 LYS 94 -5.693 12.838 -1.452 711 1HD LYS 94 HD2 LYS 94 -3.160 13.286 -1.128 712 2HD LYS 94 HD1 LYS 94 -3.075 13.335 -2.891 713 1HE LYS 94 HE2 LYS 94 -5.108 14.998 -2.660 714 2HE LYS 94 HE1 LYS 94 -4.530 15.174 -1.005 715 1HZ LYS 94 HZ2 LYS 94 -2.301 15.323 -2.641 716 2HZ LYS 94 HZ1 LYS 94 -3.485 16.295 -3.380 717 3HZ LYS 94 HZ3 LYS 94 -3.027 16.589 -1.773 718 H GLU 95 HN GLU 95 -5.756 11.597 -4.621 719 HA GLU 95 HA GLU 95 -8.321 10.425 -4.160 720 1HB GLU 95 HB2 GLU 95 -7.346 11.992 -6.568 721 2HB GLU 95 HB1 GLU 95 -9.027 11.647 -6.184 722 1HG GLU 95 HG2 GLU 95 -7.146 13.171 -4.363 723 2HG GLU 95 HG1 GLU 95 -8.308 13.925 -5.452 724 H LYS 96 HN LYS 96 -5.715 9.617 -6.332 725 HA LYS 96 HA LYS 96 -7.106 8.028 -8.234 726 1HB LYS 96 HB2 LYS 96 -4.683 8.816 -8.235 727 2HB LYS 96 HB1 LYS 96 -4.331 7.491 -7.150 728 1HG LYS 96 HG2 LYS 96 -4.825 5.852 -8.770 729 2HG LYS 96 HG1 LYS 96 -5.719 6.990 -9.782 730 1HD LYS 96 HD2 LYS 96 -3.618 8.236 -10.220 731 2HD LYS 96 HD1 LYS 96 -2.727 7.055 -9.267 732 1HE LYS 96 HE2 LYS 96 -2.493 6.413 -11.572 733 2HE LYS 96 HE1 LYS 96 -3.634 5.275 -10.849 734 1HZ LYS 96 HZ2 LYS 96 -4.643 7.752 -12.052 735 2HZ LYS 96 HZ1 LYS 96 -4.211 6.461 -13.068 736 3HZ LYS 96 HZ3 LYS 96 -5.410 6.244 -11.888 737 H LEU 97 HN LEU 97 -5.884 7.380 -5.009 738 HA LEU 97 HA LEU 97 -6.156 4.552 -4.979 739 1HB LEU 97 HB2 LEU 97 -6.407 6.663 -2.838 740 2HB LEU 97 HB1 LEU 97 -6.606 4.963 -2.463 741 HG LEU 97 HG LEU 97 -4.159 6.130 -3.799 742 1HD1 LEU 97 HD13 LEU 97 -4.798 5.493 -0.910 743 2HD1 LEU 97 HD12 LEU 97 -3.148 5.685 -1.497 744 3HD1 LEU 97 HD11 LEU 97 -4.278 7.038 -1.585 745 1HD2 LEU 97 HD21 LEU 97 -5.012 3.371 -2.946 746 2HD2 LEU 97 HD23 LEU 97 -4.041 3.865 -4.333 747 3HD2 LEU 97 HD22 LEU 97 -3.322 3.806 -2.733 748 H GLU 98 HN GLU 98 -8.440 7.156 -4.345 749 HA GLU 98 HA GLU 98 -10.598 5.534 -3.398 750 1HB GLU 98 HB2 GLU 98 -10.525 8.016 -3.188 751 2HB GLU 98 HB1 GLU 98 -10.807 8.153 -4.923 752 1HG GLU 98 HG2 GLU 98 -12.940 6.875 -4.637 753 2HG GLU 98 HG1 GLU 98 -12.662 6.865 -2.897 754 H ALA 99 HN ALA 99 -9.783 6.569 -6.706 755 HA ALA 99 HA ALA 99 -12.142 5.406 -7.877 756 1HB ALA 99 HB3 ALA 99 -10.829 7.168 -8.999 757 2HB ALA 99 HB2 ALA 99 -9.475 6.052 -9.162 758 3HB ALA 99 HB1 ALA 99 -10.985 5.744 -10.024 759 H THR 100 HN THR 100 -8.808 4.183 -7.556 760 HA THR 100 HA THR 100 -9.285 1.773 -9.029 761 HB THR 100 HB THR 100 -7.269 2.145 -6.792 762 HG1 THR 100 HG1 THR 100 -6.085 2.541 -9.019 763 1HG2 THR 100 HG22 THR 100 -7.341 0.398 -9.271 764 2HG2 THR 100 HG21 THR 100 -5.970 0.531 -8.170 765 3HG2 THR 100 HG23 THR 100 -7.497 -0.156 -7.604 766 H ILE 101 HN ILE 101 -9.599 2.527 -5.561 767 HA ILE 101 HA ILE 101 -10.160 -0.147 -4.657 768 HB ILE 101 HB ILE 101 -11.062 2.576 -3.638 769 1HG1 ILE 101 HG12 ILE 101 -9.051 0.688 -2.383 770 2HG1 ILE 101 HG11 ILE 101 -8.564 1.833 -3.626 771 1HG2 ILE 101 HG21 ILE 101 -11.425 -0.205 -2.487 772 2HG2 ILE 101 HG23 ILE 101 -11.498 1.248 -1.489 773 3HG2 ILE 101 HG22 ILE 101 -12.665 1.013 -2.790 774 1HD1 ILE 101 HD11 ILE 101 -9.562 3.676 -2.227 775 2HD1 ILE 101 HD13 ILE 101 -9.840 2.485 -0.955 776 3HD1 ILE 101 HD12 ILE 101 -8.196 2.867 -1.464 777 H ASN 102 HN ASN 102 -12.291 2.520 -5.680 778 HA ASN 102 HA ASN 102 -14.759 1.110 -5.486 779 1HB ASN 102 HB2 ASN 102 -14.584 3.568 -5.821 780 2HB ASN 102 HB1 ASN 102 -13.964 3.285 -7.453 781 1HD2 ASN 102 HD22 ASN 102 -17.916 3.286 -6.867 782 2HD2 ASN 102 HD21 ASN 102 -16.796 3.865 -5.730 783 H GLU 103 HN GLU 103 -12.312 1.334 -7.991 784 HA GLU 103 HA GLU 103 -13.757 -0.005 -10.070 785 1HB GLU 103 HB2 GLU 103 -11.621 1.403 -10.247 786 2HB GLU 103 HB1 GLU 103 -10.762 -0.013 -9.651 787 1HG GLU 103 HG2 GLU 103 -12.556 -0.105 -12.089 788 2HG GLU 103 HG1 GLU 103 -10.819 0.198 -12.178 789 H LEU 104 HN LEU 104 -11.592 -1.181 -7.483 790 HA LEU 104 HA LEU 104 -12.003 -3.988 -8.392 791 1HB LEU 104 HB2 LEU 104 -10.149 -2.786 -6.335 792 2HB LEU 104 HB1 LEU 104 -10.235 -4.508 -6.689 793 HG LEU 104 HG LEU 104 -9.595 -2.362 -8.734 794 1HD1 LEU 104 HD13 LEU 104 -7.787 -4.185 -7.125 795 2HD1 LEU 104 HD12 LEU 104 -7.256 -3.244 -8.518 796 3HD1 LEU 104 HD11 LEU 104 -7.832 -2.422 -7.070 797 1HD2 LEU 104 HD22 LEU 104 -9.679 -5.386 -8.770 798 2HD2 LEU 104 HD21 LEU 104 -10.347 -4.255 -9.943 799 3HD2 LEU 104 HD23 LEU 104 -8.609 -4.517 -9.870 800 H VAL 105 HN VAL 105 -13.520 -1.885 -6.241 801 HA VAL 105 HA VAL 105 -13.838 -3.600 -3.954 802 HB VAL 105 HB VAL 105 -14.458 -1.105 -4.129 803 1HG1 VAL 105 HG13 VAL 105 -15.972 -1.667 -6.207 804 2HG1 VAL 105 HG12 VAL 105 -17.176 -2.091 -4.989 805 3HG1 VAL 105 HG11 VAL 105 -16.516 -0.454 -5.049 806 1HG2 VAL 105 HG21 VAL 105 -14.969 -2.545 -2.175 807 2HG2 VAL 105 HG23 VAL 105 -16.238 -1.350 -2.449 808 3HG2 VAL 105 HG22 VAL 105 -16.483 -3.026 -2.940 809 HA PRO 59 HA PRO 106 11.925 16.067 -14.430 810 1HB PRO 59 HB2 PRO 106 14.490 14.688 -13.698 811 2HB PRO 59 HB1 PRO 106 13.517 14.550 -15.181 812 1HG PRO 59 HG2 PRO 106 15.781 15.940 -15.168 813 2HG PRO 59 HG1 PRO 106 14.363 16.512 -16.072 814 1HD PRO 59 HD2 PRO 106 15.452 17.505 -13.459 815 2HD PRO 59 HD1 PRO 106 14.693 18.418 -14.779 816 H ALA 60 HN ALA 107 13.885 16.129 -11.449 817 HA ALA 60 HA ALA 107 12.260 13.973 -10.246 818 1HB ALA 60 HB3 ALA 107 14.697 14.161 -9.762 819 2HB ALA 60 HB2 ALA 107 14.400 15.726 -9.005 820 3HB ALA 60 HB1 ALA 107 13.717 14.262 -8.300 821 H THR 61 HN THR 108 10.411 14.394 -9.103 822 HA THR 61 HA THR 108 9.954 17.213 -8.139 823 HB THR 61 HB THR 108 7.585 16.851 -8.521 824 HG1 THR 61 HG1 THR 108 7.548 14.654 -7.977 825 1HG2 THR 61 HG23 THR 108 9.145 17.371 -10.530 826 2HG2 THR 61 HG22 THR 108 8.882 15.691 -10.990 827 3HG2 THR 61 HG21 THR 108 7.514 16.797 -10.883 828 H LEU 62 HN LEU 109 8.714 17.371 -6.147 829 HA LEU 62 HA LEU 109 9.531 15.553 -4.079 830 1HB LEU 62 HB2 LEU 109 7.380 17.688 -4.193 831 2HB LEU 62 HB1 LEU 109 7.768 16.805 -2.719 832 HG LEU 62 HG LEU 109 9.758 18.424 -4.335 833 1HD1 LEU 62 HD12 LEU 109 7.981 19.808 -3.258 834 2HD1 LEU 62 HD11 LEU 109 8.409 19.102 -1.700 835 3HD1 LEU 62 HD13 LEU 109 9.577 20.101 -2.571 836 1HD2 LEU 62 HD21 LEU 109 9.937 16.716 -1.867 837 2HD2 LEU 62 HD23 LEU 109 11.116 16.957 -3.156 838 3HD2 LEU 62 HD22 LEU 109 10.907 18.187 -1.916 839 H LYS 63 HN LYS 110 6.926 15.535 -6.321 840 HA LYS 63 HA LYS 110 4.995 14.037 -4.879 841 1HB LYS 63 HB2 LYS 110 5.661 14.042 -7.829 842 2HB LYS 63 HB1 LYS 110 4.195 13.339 -7.140 843 1HG LYS 63 HG2 LYS 110 4.941 16.219 -6.616 844 2HG LYS 63 HG1 LYS 110 4.066 15.756 -8.070 845 1HD LYS 63 HD2 LYS 110 2.338 14.655 -6.595 846 2HD LYS 63 HD1 LYS 110 3.164 15.343 -5.196 847 1HE LYS 63 HE2 LYS 110 2.128 16.986 -7.523 848 2HE LYS 63 HE1 LYS 110 1.247 16.747 -6.014 849 1HZ LYS 63 HZ3 LYS 110 3.405 17.569 -4.930 850 2HZ LYS 63 HZ2 LYS 110 3.784 18.179 -6.471 851 3HZ LYS 63 HZ1 LYS 110 2.388 18.714 -5.661 852 H ILE 64 HN ILE 111 8.009 13.075 -6.331 853 HA ILE 64 HA ILE 111 7.489 10.229 -5.508 854 HB ILE 64 HB ILE 111 8.909 11.253 -7.995 855 1HG1 ILE 64 HG12 ILE 111 6.483 11.093 -8.262 856 2HG1 ILE 64 HG11 ILE 111 7.268 9.812 -9.179 857 1HG2 ILE 64 HG21 ILE 111 8.903 8.529 -6.697 858 2HG2 ILE 64 HG23 ILE 111 9.189 8.724 -8.428 859 3HG2 ILE 64 HG22 ILE 111 10.280 9.475 -7.265 860 1HD1 ILE 64 HD13 ILE 111 6.888 8.458 -6.879 861 2HD1 ILE 64 HD12 ILE 111 5.571 9.614 -6.727 862 3HD1 ILE 64 HD11 ILE 111 5.653 8.542 -8.127 863 H CYS 65 HN CYS 112 9.319 9.167 -4.574 864 HA CYS 65 HA CYS 112 11.610 10.955 -3.861 865 1HB CYS 65 HB2 CYS 112 10.813 8.325 -2.552 866 2HB CYS 65 HB1 CYS 112 12.061 9.427 -1.997 867 H SER 66 HN SER 113 13.545 10.491 -4.897 868 HA SER 66 HA SER 113 13.668 8.243 -6.755 869 1HB SER 66 HB2 SER 113 15.758 10.258 -5.887 870 2HB SER 66 HB1 SER 113 15.977 9.090 -7.190 871 HG SER 66 HG SER 113 15.164 10.770 -8.249 872 H TRP 67 HN TRP 114 14.753 6.311 -6.520 873 HA TRP 67 HA TRP 114 15.544 5.477 -3.847 874 1HB TRP 67 HB2 TRP 114 15.690 4.095 -6.536 875 2HB TRP 67 HB1 TRP 114 16.220 3.340 -5.030 876 HD1 TRP 67 HD1 TRP 114 13.093 5.380 -6.034 877 HE1 TRP 67 HE1 TRP 114 11.014 4.153 -5.164 878 HE3 TRP 67 HE3 TRP 114 15.281 1.326 -3.846 879 HZ2 TRP 67 HZ2 TRP 114 10.378 1.797 -3.699 880 HZ3 TRP 67 HZ3 TRP 114 13.914 -0.389 -2.722 881 HH2 TRP 67 HH2 TRP 114 11.450 -0.169 -2.660 882 H ASN 68 HN ASN 115 17.103 7.140 -6.312 883 HA ASN 68 HA ASN 115 19.718 6.119 -6.338 884 1HB ASN 68 HB2 ASN 115 18.727 8.982 -6.395 885 2HB ASN 68 HB1 ASN 115 20.406 8.533 -6.701 886 1HD2 ASN 68 HD21 ASN 115 18.350 6.044 -7.811 887 2HD2 ASN 68 HD22 ASN 115 18.285 6.496 -9.445 888 H VAL 69 HN VAL 116 17.954 7.332 -3.681 889 HA VAL 69 HA VAL 116 20.019 8.540 -2.122 890 HB VAL 69 HB VAL 116 18.619 7.822 -0.145 891 1HG1 VAL 69 HG13 VAL 116 18.199 9.907 -1.507 892 2HG1 VAL 69 HG12 VAL 116 16.994 8.997 -2.418 893 3HG1 VAL 69 HG11 VAL 116 16.771 9.277 -0.691 894 1HG2 VAL 69 HG22 VAL 116 16.942 6.552 -2.338 895 2HG2 VAL 69 HG21 VAL 116 17.801 5.686 -1.070 896 3HG2 VAL 69 HG23 VAL 116 16.440 6.732 -0.660 897 H ASP 70 HN ASP 117 21.659 7.665 -0.921 898 HA ASP 70 HA ASP 117 22.629 5.061 -1.513 899 1HB ASP 70 HB2 ASP 117 23.253 6.963 0.763 900 2HB ASP 70 HB1 ASP 117 24.113 5.438 0.526 901 H GLY 71 HN GLY 118 20.592 6.226 1.140 902 1HA GLY 71 HA2 GLY 118 19.354 5.016 2.728 903 2HA GLY 71 HA1 GLY 118 19.423 3.673 1.591 No H/Q in entry = 903 Start of MODEL 32 1 1H MET 1 HT1 MET 1 -8.900 -2.028 8.431 2 2H MET 1 HT3 MET 1 -8.575 -3.441 9.309 3 3H MET 1 HT2 MET 1 -9.779 -2.369 9.844 4 HA MET 1 HA MET 1 -8.203 -0.720 10.421 5 1HB MET 1 HB2 MET 1 -7.268 -3.483 11.259 6 2HB MET 1 HB1 MET 1 -6.785 -1.980 12.043 7 1HG MET 1 HG2 MET 1 -9.657 -2.914 11.763 8 2HG MET 1 HG1 MET 1 -8.680 -3.118 13.215 9 1HE MET 1 HE1 MET 1 -10.623 -1.941 14.489 10 2HE MET 1 HE3 MET 1 -11.238 -0.321 14.129 11 3HE MET 1 HE2 MET 1 -11.512 -1.643 12.996 12 H VAL 2 HN VAL 2 -5.644 -0.621 10.882 13 HA VAL 2 HA VAL 2 -4.376 -0.894 8.192 14 HB VAL 2 HB VAL 2 -3.598 0.689 10.662 15 1HG1 VAL 2 HG13 VAL 2 -2.258 0.305 7.976 16 2HG1 VAL 2 HG12 VAL 2 -1.969 1.740 8.959 17 3HG1 VAL 2 HG11 VAL 2 -1.548 0.145 9.583 18 1HG2 VAL 2 HG23 VAL 2 -4.743 1.422 7.951 19 2HG2 VAL 2 HG22 VAL 2 -5.517 1.632 9.523 20 3HG2 VAL 2 HG21 VAL 2 -4.108 2.603 9.096 21 H LYS 3 HN LYS 3 -2.458 -2.093 7.915 22 HA LYS 3 HA LYS 3 -1.401 -3.573 10.298 23 1HB LYS 3 HB2 LYS 3 -2.888 -5.025 8.872 24 2HB LYS 3 HB1 LYS 3 -1.822 -4.709 7.509 25 1HG LYS 3 HG2 LYS 3 -1.085 -6.798 8.382 26 2HG LYS 3 HG1 LYS 3 0.083 -5.624 8.978 27 1HD LYS 3 HD2 LYS 3 -0.864 -5.629 11.159 28 2HD LYS 3 HD1 LYS 3 -2.331 -6.434 10.608 29 1HE LYS 3 HE2 LYS 3 0.402 -7.722 10.452 30 2HE LYS 3 HE1 LYS 3 -0.669 -7.913 11.838 31 1HZ LYS 3 HZ3 LYS 3 -1.342 -8.611 9.032 32 2HZ LYS 3 HZ2 LYS 3 -0.937 -9.716 10.257 33 3HZ LYS 3 HZ1 LYS 3 -2.363 -8.798 10.373 34 H GLN 4 HN GLN 4 0.797 -3.361 10.452 35 HA GLN 4 HA GLN 4 2.244 -2.082 8.176 36 1HB GLN 4 HB2 GLN 4 2.439 -1.064 10.440 37 2HB GLN 4 HB1 GLN 4 3.129 -2.571 11.039 38 1HG GLN 4 HG2 GLN 4 4.991 -2.355 9.405 39 2HG GLN 4 HG1 GLN 4 4.311 -0.818 8.861 40 1HE2 GLN 4 HE22 GLN 4 6.503 0.601 11.292 41 2HE2 GLN 4 HE21 GLN 4 6.253 0.343 9.633 42 H ILE 5 HN ILE 5 3.481 -3.356 6.891 43 HA ILE 5 HA ILE 5 4.186 -6.110 7.816 44 HB ILE 5 HB ILE 5 4.470 -4.918 5.052 45 1HG1 ILE 5 HG12 ILE 5 2.125 -4.763 5.582 46 2HG1 ILE 5 HG11 ILE 5 2.344 -6.185 4.563 47 1HG2 ILE 5 HG22 ILE 5 5.716 -7.047 5.758 48 2HG2 ILE 5 HG21 ILE 5 4.127 -7.810 5.831 49 3HG2 ILE 5 HG23 ILE 5 4.715 -7.134 4.318 50 1HD1 ILE 5 HD11 ILE 5 2.547 -7.513 6.767 51 2HD1 ILE 5 HD13 ILE 5 1.873 -6.079 7.540 52 3HD1 ILE 5 HD12 ILE 5 0.942 -6.939 6.317 53 H GLU 6 HN GLU 6 6.193 -6.188 8.746 54 HA GLU 6 HA GLU 6 8.289 -4.295 7.788 55 1HB GLU 6 HB2 GLU 6 8.288 -6.158 10.180 56 2HB GLU 6 HB1 GLU 6 9.544 -4.983 9.780 57 1HG GLU 6 HG2 GLU 6 6.655 -4.206 10.230 58 2HG GLU 6 HG1 GLU 6 7.867 -4.197 11.510 59 H SER 7 HN SER 7 7.202 -7.329 7.011 60 HA SER 7 HA SER 7 9.805 -7.982 5.772 61 1HB SER 7 HB2 SER 7 9.870 -10.266 6.711 62 2HB SER 7 HB1 SER 7 10.006 -9.044 7.975 63 HG SER 7 HG SER 7 7.483 -10.026 7.211 64 H LYS 8 HN LYS 8 9.660 -9.620 4.141 65 HA LYS 8 HA LYS 8 7.227 -9.635 2.616 66 1HB LYS 8 HB2 LYS 8 9.610 -10.092 1.771 67 2HB LYS 8 HB1 LYS 8 9.413 -11.707 2.453 68 1HG LYS 8 HG2 LYS 8 7.419 -12.073 1.065 69 2HG LYS 8 HG1 LYS 8 7.593 -10.457 0.382 70 1HD LYS 8 HD2 LYS 8 8.541 -12.158 -1.137 71 2HD LYS 8 HD1 LYS 8 9.795 -11.073 -0.545 72 1HE LYS 8 HE2 LYS 8 10.740 -12.702 0.834 73 2HE LYS 8 HE1 LYS 8 9.242 -13.628 0.946 74 1HZ LYS 8 HZ2 LYS 8 9.794 -13.669 -1.700 75 2HZ LYS 8 HZ1 LYS 8 11.343 -13.761 -1.006 76 3HZ LYS 8 HZ3 LYS 8 10.166 -14.911 -0.602 77 H THR 9 HN THR 9 8.554 -11.741 5.096 78 HA THR 9 HA THR 9 6.892 -14.001 4.681 79 HB THR 9 HB THR 9 7.821 -12.906 7.349 80 HG1 THR 9 HG1 THR 9 9.057 -14.551 5.404 81 1HG2 THR 9 HG23 THR 9 6.934 -15.641 6.405 82 2HG2 THR 9 HG22 THR 9 7.759 -15.363 7.939 83 3HG2 THR 9 HG21 THR 9 6.176 -14.642 7.646 84 H ALA 10 HN ALA 10 6.382 -11.134 6.717 85 HA ALA 10 HA ALA 10 3.714 -11.898 7.489 86 1HB ALA 10 HB1 ALA 10 5.111 -9.205 7.452 87 2HB ALA 10 HB3 ALA 10 3.509 -9.466 8.140 88 3HB ALA 10 HB2 ALA 10 4.913 -10.274 8.840 89 H PHE 11 HN PHE 11 5.076 -10.230 4.726 90 HA PHE 11 HA PHE 11 2.718 -8.952 3.770 91 1HB PHE 11 HB2 PHE 11 5.085 -8.744 2.819 92 2HB PHE 11 HB1 PHE 11 4.828 -10.294 2.043 93 HD1 PHE 11 HD1 PHE 11 3.026 -7.028 2.480 94 HD2 PHE 11 HD2 PHE 11 4.029 -10.271 -0.151 95 HE1 PHE 11 HE1 PHE 11 1.819 -5.903 0.638 96 HE2 PHE 11 HE2 PHE 11 2.812 -9.149 -1.996 97 HZ PHE 11 HZ PHE 11 1.711 -6.967 -1.600 98 H GLN 12 HN GLN 12 4.004 -12.204 3.261 99 HA GLN 12 HA GLN 12 1.901 -13.125 1.523 100 1HB GLN 12 HB2 GLN 12 3.744 -14.621 3.424 101 2HB GLN 12 HB1 GLN 12 2.753 -15.386 2.181 102 1HG GLN 12 HG2 GLN 12 4.875 -13.280 1.657 103 2HG GLN 12 HG1 GLN 12 5.101 -15.015 1.435 104 1HE2 GLN 12 HE22 GLN 12 2.501 -14.986 -1.256 105 2HE2 GLN 12 HE21 GLN 12 2.675 -15.772 0.238 106 H GLU 13 HN GLU 13 2.409 -13.294 5.035 107 HA GLU 13 HA GLU 13 0.074 -14.839 5.640 108 1HB GLU 13 HB2 GLU 13 1.615 -12.830 7.312 109 2HB GLU 13 HB1 GLU 13 0.415 -13.940 7.953 110 1HG GLU 13 HG2 GLU 13 2.896 -14.805 6.448 111 2HG GLU 13 HG1 GLU 13 2.756 -14.788 8.206 112 H ALA 14 HN ALA 14 0.613 -11.365 5.321 113 HA ALA 14 HA ALA 14 -1.970 -10.584 6.304 114 1HB ALA 14 HB3 ALA 14 0.137 -9.129 5.940 115 2HB ALA 14 HB2 ALA 14 -0.373 -9.040 4.256 116 3HB ALA 14 HB1 ALA 14 -1.420 -8.411 5.529 117 H LEU 15 HN LEU 15 -0.705 -11.250 3.034 118 HA LEU 15 HA LEU 15 -3.083 -10.590 1.613 119 1HB LEU 15 HB2 LEU 15 -0.879 -12.584 1.023 120 2HB LEU 15 HB1 LEU 15 -2.168 -12.211 -0.120 121 HG LEU 15 HG LEU 15 -0.386 -10.084 1.091 122 1HD1 LEU 15 HD12 LEU 15 -0.001 -11.790 -1.370 123 2HD1 LEU 15 HD11 LEU 15 0.713 -10.181 -1.254 124 3HD1 LEU 15 HD13 LEU 15 1.158 -11.428 -0.090 125 1HD2 LEU 15 HD22 LEU 15 -2.401 -10.187 -1.155 126 2HD2 LEU 15 HD21 LEU 15 -2.277 -9.026 0.161 127 3HD2 LEU 15 HD23 LEU 15 -1.122 -8.974 -1.165 128 H ASP 16 HN ASP 16 -1.995 -13.568 3.165 129 HA ASP 16 HA ASP 16 -4.215 -15.159 2.276 130 1HB ASP 16 HB2 ASP 16 -1.978 -15.997 3.180 131 2HB ASP 16 HB1 ASP 16 -2.597 -15.620 4.791 132 H ALA 17 HN ALA 17 -3.654 -13.133 5.114 133 HA ALA 17 HA ALA 17 -5.981 -14.010 6.570 134 1HB ALA 17 HB1 ALA 17 -4.441 -11.408 6.758 135 2HB ALA 17 HB3 ALA 17 -5.609 -11.991 7.943 136 3HB ALA 17 HB2 ALA 17 -4.106 -12.874 7.678 137 H ALA 18 HN ALA 18 -5.443 -11.377 4.254 138 HA ALA 18 HA ALA 18 -7.936 -10.038 4.635 139 1HB ALA 18 HB1 ALA 18 -6.204 -10.301 2.163 140 2HB ALA 18 HB3 ALA 18 -7.557 -9.179 2.315 141 3HB ALA 18 HB2 ALA 18 -6.144 -9.004 3.356 142 H GLY 19 HN GLY 19 -7.057 -12.891 2.772 143 1HA GLY 19 HA2 GLY 19 -8.426 -14.516 1.780 144 2HA GLY 19 HA1 GLY 19 -9.789 -13.784 2.629 145 H ASP 20 HN ASP 20 -11.332 -13.162 1.203 146 HA ASP 20 HA ASP 20 -10.602 -12.502 -1.581 147 1HB ASP 20 HB2 ASP 20 -13.307 -12.691 -0.225 148 2HB ASP 20 HB1 ASP 20 -13.030 -12.517 -1.959 149 H LYS 21 HN LYS 21 -10.711 -10.723 1.204 150 HA LYS 21 HA LYS 21 -12.242 -8.430 0.289 151 1HB LYS 21 HB2 LYS 21 -10.217 -8.756 2.522 152 2HB LYS 21 HB1 LYS 21 -11.159 -7.291 2.251 153 1HG LYS 21 HG2 LYS 21 -13.237 -8.809 2.358 154 2HG LYS 21 HG1 LYS 21 -12.162 -10.042 3.013 155 1HD LYS 21 HD2 LYS 21 -12.347 -7.273 4.215 156 2HD LYS 21 HD1 LYS 21 -13.408 -8.587 4.714 157 1HE LYS 21 HE2 LYS 21 -11.403 -9.966 5.254 158 2HE LYS 21 HE1 LYS 21 -10.377 -8.596 4.839 159 1HZ LYS 21 HZ1 LYS 21 -12.090 -7.463 6.540 160 2HZ LYS 21 HZ3 LYS 21 -12.018 -9.030 7.186 161 3HZ LYS 21 HZ2 LYS 21 -10.595 -8.120 7.003 162 H LEU 22 HN LEU 22 -11.404 -6.398 -0.437 163 HA LEU 22 HA LEU 22 -9.216 -6.548 -2.238 164 1HB LEU 22 HB2 LEU 22 -11.260 -4.756 -1.744 165 2HB LEU 22 HB1 LEU 22 -9.870 -3.866 -1.147 166 HG LEU 22 HG LEU 22 -10.222 -4.996 -3.929 167 1HD1 LEU 22 HD13 LEU 22 -10.664 -2.336 -2.685 168 2HD1 LEU 22 HD12 LEU 22 -9.699 -2.285 -4.153 169 3HD1 LEU 22 HD11 LEU 22 -11.305 -3.003 -4.183 170 1HD2 LEU 22 HD21 LEU 22 -7.835 -3.792 -2.529 171 2HD2 LEU 22 HD23 LEU 22 -7.903 -5.215 -3.572 172 3HD2 LEU 22 HD22 LEU 22 -8.030 -3.606 -4.271 173 H VAL 23 HN VAL 23 -7.084 -5.535 -2.009 174 HA VAL 23 HA VAL 23 -6.218 -4.897 0.759 175 HB VAL 23 HB VAL 23 -4.936 -7.006 -1.012 176 1HG1 VAL 23 HG12 VAL 23 -4.048 -5.644 1.530 177 2HG1 VAL 23 HG11 VAL 23 -3.457 -7.247 1.101 178 3HG1 VAL 23 HG13 VAL 23 -3.141 -5.877 0.038 179 1HG2 VAL 23 HG22 VAL 23 -6.272 -7.181 1.704 180 2HG2 VAL 23 HG21 VAL 23 -6.895 -7.847 0.196 181 3HG2 VAL 23 HG23 VAL 23 -5.423 -8.502 0.909 182 H VAL 24 HN VAL 24 -5.267 -2.957 0.514 183 HA VAL 24 HA VAL 24 -3.809 -2.369 -2.032 184 HB VAL 24 HB VAL 24 -4.779 -0.448 0.125 185 1HG1 VAL 24 HG12 VAL 24 -2.808 0.260 -1.307 186 2HG1 VAL 24 HG11 VAL 24 -3.863 0.105 -2.711 187 3HG1 VAL 24 HG13 VAL 24 -4.232 1.288 -1.458 188 1HG2 VAL 24 HG23 VAL 24 -5.961 -1.297 -2.528 189 2HG2 VAL 24 HG22 VAL 24 -6.714 -1.394 -0.939 190 3HG2 VAL 24 HG21 VAL 24 -6.446 0.178 -1.693 191 H VAL 25 HN VAL 25 -1.588 -1.786 -1.907 192 HA VAL 25 HA VAL 25 -0.338 -1.945 0.831 193 HB VAL 25 HB VAL 25 0.903 -2.926 -1.756 194 1HG1 VAL 25 HG13 VAL 25 2.387 -2.205 0.187 195 2HG1 VAL 25 HG12 VAL 25 1.660 -3.518 1.111 196 3HG1 VAL 25 HG11 VAL 25 2.591 -3.874 -0.341 197 1HG2 VAL 25 HG22 VAL 25 -1.130 -4.245 -1.048 198 2HG2 VAL 25 HG21 VAL 25 0.366 -5.170 -1.039 199 3HG2 VAL 25 HG23 VAL 25 -0.309 -4.576 0.474 200 H ASP 26 HN ASP 26 0.704 -0.106 1.340 201 HA ASP 26 HA ASP 26 1.485 1.768 -0.858 202 1HB ASP 26 HB2 ASP 26 0.056 2.702 0.920 203 2HB ASP 26 HB1 ASP 26 1.258 2.251 2.132 204 H PHE 27 HN PHE 27 3.580 1.761 -1.457 205 HA PHE 27 HA PHE 27 5.660 0.679 0.384 206 1HB PHE 27 HB2 PHE 27 5.627 1.259 -2.587 207 2HB PHE 27 HB1 PHE 27 7.108 0.848 -1.711 208 HD1 PHE 27 HD1 PHE 27 7.280 -1.332 -0.509 209 HD2 PHE 27 HD2 PHE 27 4.020 -0.419 -3.148 210 HE1 PHE 27 HE1 PHE 27 6.736 -3.747 -0.672 211 HE2 PHE 27 HE2 PHE 27 3.476 -2.830 -3.304 212 HZ PHE 27 HZ PHE 27 4.828 -4.495 -2.069 213 H SER 28 HN SER 28 4.428 3.440 0.599 214 HA SER 28 HA SER 28 6.263 5.386 -0.342 215 1HB SER 28 HB2 SER 28 4.627 5.432 2.211 216 2HB SER 28 HB1 SER 28 5.367 6.832 1.443 217 HG SER 28 HG SER 28 3.679 5.152 -0.045 218 H ALA 29 HN ALA 29 8.091 6.337 0.588 219 HA ALA 29 HA ALA 29 9.594 4.590 2.418 220 1HB ALA 29 HB3 ALA 29 10.199 7.018 0.750 221 2HB ALA 29 HB2 ALA 29 11.253 6.685 2.126 222 3HB ALA 29 HB1 ALA 29 11.068 5.487 0.842 223 H THR 30 HN THR 30 9.596 4.895 4.598 224 HA THR 30 HA THR 30 7.985 6.972 5.769 225 HB THR 30 HB THR 30 8.367 4.813 6.914 226 HG1 THR 30 HG1 THR 30 9.674 6.492 8.645 227 1HG2 THR 30 HG21 THR 30 10.761 4.615 6.101 228 2HG2 THR 30 HG23 THR 30 11.204 5.766 7.361 229 3HG2 THR 30 HG22 THR 30 10.514 4.203 7.798 230 H TRP 31 HN TRP 31 11.435 6.577 5.122 231 HA TRP 31 HA TRP 31 12.276 8.904 6.624 232 1HB TRP 31 HB2 TRP 31 14.377 8.674 5.419 233 2HB TRP 31 HB1 TRP 31 13.812 7.088 5.937 234 HD1 TRP 31 HD1 TRP 31 13.299 5.349 4.163 235 HE1 TRP 31 HE1 TRP 31 13.500 5.258 1.593 236 HE3 TRP 31 HE3 TRP 31 14.023 10.293 3.178 237 HZ2 TRP 31 HZ2 TRP 31 13.881 7.061 -0.591 238 HZ3 TRP 31 HZ3 TRP 31 14.281 11.088 0.845 239 HH2 TRP 31 HH2 TRP 31 14.212 9.478 -1.041 240 H CYS 32 HN CYS 32 10.827 8.487 3.483 241 HA CYS 32 HA CYS 32 11.694 11.148 2.550 242 1HB CYS 32 HB2 CYS 32 11.279 9.083 1.046 243 2HB CYS 32 HB1 CYS 32 9.566 9.385 1.296 244 H GLY 33 HN GLY 33 10.786 12.781 3.673 245 1HA GLY 33 HA2 GLY 33 8.355 12.684 5.104 246 2HA GLY 33 HA1 GLY 33 9.149 14.170 4.594 247 HA PRO 34 HA PRO 34 6.362 14.970 1.243 248 1HB PRO 34 HB2 PRO 34 7.802 13.418 -0.860 249 2HB PRO 34 HB1 PRO 34 7.334 15.127 -0.842 250 1HG PRO 34 HG2 PRO 34 9.912 14.313 -0.500 251 2HG PRO 34 HG1 PRO 34 9.268 15.789 0.238 252 1HD PRO 34 HD2 PRO 34 9.959 13.205 1.522 253 2HD PRO 34 HD1 PRO 34 9.867 14.825 2.254 254 H ALA 35 HN ALA 35 7.513 11.612 1.149 255 HA ALA 35 HA ALA 35 5.019 10.598 0.035 256 1HB ALA 35 HB3 ALA 35 7.466 9.596 -0.042 257 2HB ALA 35 HB2 ALA 35 6.988 8.841 1.478 258 3HB ALA 35 HB1 ALA 35 6.070 8.521 0.004 259 H LYS 36 HN LYS 36 6.564 10.440 3.263 260 HA LYS 36 HA LYS 36 4.436 9.060 4.559 261 1HB LYS 36 HB2 LYS 36 6.736 9.496 5.525 262 2HB LYS 36 HB1 LYS 36 6.218 11.152 5.839 263 1HG LYS 36 HG2 LYS 36 4.272 10.208 7.145 264 2HG LYS 36 HG1 LYS 36 5.003 8.613 6.963 265 1HD LYS 36 HD2 LYS 36 7.076 9.487 8.053 266 2HD LYS 36 HD1 LYS 36 6.247 11.020 8.323 267 1HE LYS 36 HE2 LYS 36 4.525 9.870 9.656 268 2HE LYS 36 HE1 LYS 36 5.330 8.326 9.380 269 1HZ LYS 36 HZ1 LYS 36 6.770 10.613 10.574 270 2HZ LYS 36 HZ3 LYS 36 5.832 9.575 11.535 271 3HZ LYS 36 HZ2 LYS 36 7.150 8.958 10.656 272 H MET 37 HN MET 37 4.873 12.440 3.740 273 HA MET 37 HA MET 37 2.867 13.554 5.414 274 1HB MET 37 HB2 MET 37 4.540 14.832 4.000 275 2HB MET 37 HB1 MET 37 3.536 14.466 2.600 276 1HG MET 37 HG2 MET 37 2.374 15.791 5.057 277 2HG MET 37 HG1 MET 37 3.140 16.735 3.782 278 1HE MET 37 HE2 MET 37 2.771 16.319 1.412 279 2HE MET 37 HE1 MET 37 1.172 16.206 0.681 280 3HE MET 37 HE3 MET 37 1.608 17.620 1.652 281 H ILE 38 HN ILE 38 2.654 11.782 2.411 282 HA ILE 38 HA ILE 38 -0.153 12.424 1.942 283 HB ILE 38 HB ILE 38 1.403 10.161 0.673 284 1HG1 ILE 38 HG12 ILE 38 1.280 12.999 -0.375 285 2HG1 ILE 38 HG11 ILE 38 2.613 12.437 0.622 286 1HG2 ILE 38 HG21 ILE 38 -0.948 11.878 -0.168 287 2HG2 ILE 38 HG23 ILE 38 -0.073 10.822 -1.273 288 3HG2 ILE 38 HG22 ILE 38 -0.930 10.136 0.104 289 1HD1 ILE 38 HD11 ILE 38 2.940 10.558 -0.987 290 2HD1 ILE 38 HD13 ILE 38 1.746 11.317 -2.031 291 3HD1 ILE 38 HD12 ILE 38 3.256 12.152 -1.657 292 H LYS 39 HN LYS 39 1.378 10.255 4.075 293 HA LYS 39 HA LYS 39 -0.305 8.011 3.723 294 1HB LYS 39 HB2 LYS 39 0.445 7.108 5.723 295 2HB LYS 39 HB1 LYS 39 1.802 8.072 5.173 296 1HG LYS 39 HG2 LYS 39 1.161 9.880 6.730 297 2HG LYS 39 HG1 LYS 39 -0.218 8.947 7.282 298 1HD LYS 39 HD2 LYS 39 2.716 8.489 7.789 299 2HD LYS 39 HD1 LYS 39 1.388 8.567 8.942 300 1HE LYS 39 HE2 LYS 39 0.534 6.394 7.911 301 2HE LYS 39 HE1 LYS 39 2.085 6.292 7.069 302 1HZ LYS 39 HZ1 LYS 39 2.376 6.882 9.851 303 2HZ LYS 39 HZ3 LYS 39 1.572 5.412 9.592 304 3HZ LYS 39 HZ2 LYS 39 3.112 5.668 8.919 305 HA PRO 40 HA PRO 40 -3.214 9.976 7.133 306 1HB PRO 40 HB2 PRO 40 -3.728 12.529 5.675 307 2HB PRO 40 HB1 PRO 40 -3.574 12.239 7.419 308 1HG PRO 40 HG2 PRO 40 -1.634 13.490 6.066 309 2HG PRO 40 HG1 PRO 40 -1.244 12.350 7.363 310 1HD PRO 40 HD2 PRO 40 -1.120 11.947 4.405 311 2HD PRO 40 HD1 PRO 40 0.004 11.359 5.644 312 H PHE 41 HN PHE 41 -3.444 10.775 3.647 313 HA PHE 41 HA PHE 41 -6.294 10.292 3.509 314 1HB PHE 41 HB2 PHE 41 -4.103 10.171 1.409 315 2HB PHE 41 HB1 PHE 41 -5.815 9.991 1.053 316 HD1 PHE 41 HD2 PHE 41 -3.381 12.300 2.665 317 HD2 PHE 41 HD1 PHE 41 -7.167 11.867 0.684 318 HE1 PHE 41 HE2 PHE 41 -3.621 14.768 2.595 319 HE2 PHE 41 HE1 PHE 41 -7.414 14.339 0.622 320 HZ PHE 41 HZ PHE 41 -5.638 15.787 1.574 321 H PHE 42 HN PHE 42 -3.423 8.353 2.750 322 HA PHE 42 HA PHE 42 -4.768 5.943 2.037 323 1HB PHE 42 HB2 PHE 42 -2.398 6.362 1.546 324 2HB PHE 42 HB1 PHE 42 -2.020 6.377 3.271 325 HD1 PHE 42 HD1 PHE 42 -3.258 4.227 0.482 326 HD2 PHE 42 HD2 PHE 42 -1.716 4.354 4.492 327 HE1 PHE 42 HE1 PHE 42 -3.009 1.760 0.472 328 HE2 PHE 42 HE2 PHE 42 -1.468 1.890 4.474 329 HZ PHE 42 HZ PHE 42 -2.118 0.590 2.468 330 H HIS 43 HN HIS 43 -3.335 6.919 5.156 331 HA HIS 43 HA HIS 43 -4.276 4.629 6.603 332 1HB HIS 43 HB2 HIS 43 -2.372 5.996 7.355 333 2HB HIS 43 HB1 HIS 43 -3.439 7.377 7.590 334 HD1 HIS 43 HD1 HIS 43 -2.332 4.205 9.173 335 HD2 HIS 43 HD2 HIS 43 -5.275 7.081 9.779 336 HE1 HIS 43 HE1 HIS 43 -3.324 3.740 11.459 337 H SER 44 HN SER 44 -5.609 7.917 6.188 338 HA SER 44 HA SER 44 -7.757 7.644 8.045 339 1HB SER 44 HB2 SER 44 -7.607 9.327 5.531 340 2HB SER 44 HB1 SER 44 -8.853 9.474 6.765 341 HG SER 44 HG SER 44 -6.541 9.483 8.015 342 H LEU 45 HN LEU 45 -7.539 6.809 4.599 343 HA LEU 45 HA LEU 45 -10.297 6.218 4.210 344 1HB LEU 45 HB2 LEU 45 -7.821 5.199 2.830 345 2HB LEU 45 HB1 LEU 45 -9.437 4.772 2.301 346 HG LEU 45 HG LEU 45 -8.658 7.672 2.677 347 1HD1 LEU 45 HD11 LEU 45 -8.245 5.948 0.214 348 2HD1 LEU 45 HD13 LEU 45 -8.148 7.708 0.225 349 3HD1 LEU 45 HD12 LEU 45 -6.986 6.755 1.149 350 1HD2 LEU 45 HD22 LEU 45 -10.760 6.180 1.084 351 2HD2 LEU 45 HD21 LEU 45 -11.015 7.356 2.368 352 3HD2 LEU 45 HD23 LEU 45 -10.392 7.878 0.808 353 H SER 46 HN SER 46 -7.798 4.373 5.782 354 HA SER 46 HA SER 46 -8.794 1.761 5.482 355 1HB SER 46 HB2 SER 46 -7.651 3.003 8.002 356 2HB SER 46 HB1 SER 46 -7.779 1.279 7.680 357 HG SER 46 HG SER 46 -5.941 3.091 6.813 358 H GLU 47 HN GLU 47 -9.903 4.371 7.580 359 HA GLU 47 HA GLU 47 -11.980 2.647 8.770 360 1HB GLU 47 HB2 GLU 47 -11.293 5.592 9.058 361 2HB GLU 47 HB1 GLU 47 -12.647 4.828 9.886 362 1HG GLU 47 HG2 GLU 47 -10.859 4.778 11.452 363 2HG GLU 47 HG1 GLU 47 -10.937 3.144 10.797 364 H LYS 48 HN LYS 48 -11.600 4.632 5.969 365 HA LYS 48 HA LYS 48 -14.442 5.350 5.784 366 1HB LYS 48 HB2 LYS 48 -12.629 6.715 4.673 367 2HB LYS 48 HB1 LYS 48 -12.372 5.363 3.565 368 1HG LYS 48 HG2 LYS 48 -14.815 5.482 2.961 369 2HG LYS 48 HG1 LYS 48 -14.926 6.955 3.922 370 1HD LYS 48 HD2 LYS 48 -13.263 8.042 2.498 371 2HD LYS 48 HD1 LYS 48 -13.064 6.556 1.568 372 1HE LYS 48 HE2 LYS 48 -14.590 8.050 0.372 373 2HE LYS 48 HE1 LYS 48 -15.483 6.647 0.961 374 1HZ LYS 48 HZ3 LYS 48 -15.421 8.685 2.926 375 2HZ LYS 48 HZ2 LYS 48 -16.034 9.302 1.469 376 3HZ LYS 48 HZ1 LYS 48 -16.759 7.948 2.194 377 H TYR 49 HN TYR 49 -12.223 2.924 4.532 378 HA TYR 49 HA TYR 49 -14.590 1.317 3.577 379 1HB TYR 49 HB2 TYR 49 -11.762 1.380 2.447 380 2HB TYR 49 HB1 TYR 49 -13.041 0.284 1.927 381 HD1 TYR 49 HD2 TYR 49 -15.306 1.409 1.223 382 HD2 TYR 49 HD1 TYR 49 -11.528 3.456 1.347 383 HE1 TYR 49 HE2 TYR 49 -16.190 3.137 -0.319 384 HE2 TYR 49 HE1 TYR 49 -12.420 5.182 -0.199 385 HH TYR 49 HH TYR 49 -15.183 4.790 -1.998 386 H SER 50 HN SER 50 -14.366 0.844 6.006 387 HA SER 50 HA SER 50 -12.151 -0.638 7.008 388 1HB SER 50 HB2 SER 50 -13.588 -1.166 8.865 389 2HB SER 50 HB1 SER 50 -13.969 0.470 8.364 390 HG SER 50 HG SER 50 -15.924 -0.351 8.329 391 H ASN 51 HN ASN 51 -14.424 -1.418 4.661 392 HA ASN 51 HA ASN 51 -14.409 -4.324 5.205 393 1HB ASN 51 HB2 ASN 51 -16.427 -3.087 4.242 394 2HB ASN 51 HB1 ASN 51 -15.487 -2.895 2.762 395 1HD2 ASN 51 HD22 ASN 51 -16.203 -6.150 1.650 396 2HD2 ASN 51 HD21 ASN 51 -15.662 -4.584 1.279 397 H VAL 52 HN VAL 52 -12.184 -2.256 4.188 398 HA VAL 52 HA VAL 52 -10.978 -4.179 2.248 399 HB VAL 52 HB VAL 52 -10.998 -1.149 2.146 400 1HG1 VAL 52 HG13 VAL 52 -9.119 -3.153 0.909 401 2HG1 VAL 52 HG12 VAL 52 -9.499 -1.661 0.045 402 3HG1 VAL 52 HG11 VAL 52 -8.753 -1.594 1.641 403 1HG2 VAL 52 HG23 VAL 52 -11.875 -3.359 0.265 404 2HG2 VAL 52 HG22 VAL 52 -12.889 -2.135 1.028 405 3HG2 VAL 52 HG21 VAL 52 -11.741 -1.672 -0.227 406 H ILE 53 HN ILE 53 -8.739 -4.555 2.591 407 HA ILE 53 HA ILE 53 -7.756 -3.589 5.258 408 HB ILE 53 HB ILE 53 -6.554 -5.724 3.477 409 1HG1 ILE 53 HG12 ILE 53 -8.842 -6.401 3.957 410 2HG1 ILE 53 HG11 ILE 53 -7.758 -7.344 4.974 411 1HG2 ILE 53 HG21 ILE 53 -5.347 -4.561 5.538 412 2HG2 ILE 53 HG23 ILE 53 -6.362 -5.641 6.480 413 3HG2 ILE 53 HG22 ILE 53 -5.227 -6.301 5.306 414 1HD1 ILE 53 HD13 ILE 53 -8.174 -5.442 6.736 415 2HD1 ILE 53 HD12 ILE 53 -9.597 -5.095 5.755 416 3HD1 ILE 53 HD11 ILE 53 -9.402 -6.683 6.497 417 H PHE 54 HN PHE 54 -6.317 -1.898 5.242 418 HA PHE 54 HA PHE 54 -4.761 -1.336 2.740 419 1HB PHE 54 HB2 PHE 54 -5.331 0.368 5.187 420 2HB PHE 54 HB1 PHE 54 -4.286 0.864 3.860 421 HD1 PHE 54 HD1 PHE 54 -7.738 -0.390 4.556 422 HD2 PHE 54 HD2 PHE 54 -5.225 1.968 1.996 423 HE1 PHE 54 HE1 PHE 54 -9.736 0.408 3.329 424 HE2 PHE 54 HE2 PHE 54 -7.227 2.750 0.750 425 HZ PHE 54 HZ PHE 54 -9.480 1.967 1.420 426 H LEU 55 HN LEU 55 -2.604 -1.886 2.739 427 HA LEU 55 HA LEU 55 -1.272 -2.414 5.379 428 1HB LEU 55 HB2 LEU 55 -0.664 -3.481 2.605 429 2HB LEU 55 HB1 LEU 55 0.450 -3.656 3.960 430 HG LEU 55 HG LEU 55 -1.239 -4.906 5.216 431 1HD1 LEU 55 HD11 LEU 55 -2.985 -4.102 2.909 432 2HD1 LEU 55 HD13 LEU 55 -3.313 -5.622 3.746 433 3HD1 LEU 55 HD12 LEU 55 -3.323 -4.111 4.637 434 1HD2 LEU 55 HD21 LEU 55 -0.669 -5.829 2.396 435 2HD2 LEU 55 HD23 LEU 55 0.139 -6.304 3.887 436 3HD2 LEU 55 HD22 LEU 55 -1.500 -6.859 3.561 437 H GLU 56 HN GLU 56 0.590 -1.383 5.876 438 HA GLU 56 HA GLU 56 1.534 0.746 3.987 439 1HB GLU 56 HB2 GLU 56 0.657 1.442 6.292 440 2HB GLU 56 HB1 GLU 56 2.037 0.581 6.978 441 1HG GLU 56 HG2 GLU 56 3.548 1.975 5.533 442 2HG GLU 56 HG1 GLU 56 2.137 2.915 5.043 443 H VAL 57 HN VAL 57 3.621 0.479 3.230 444 HA VAL 57 HA VAL 57 5.327 -1.602 4.575 445 HB VAL 57 HB VAL 57 5.005 -1.187 1.593 446 1HG1 VAL 57 HG13 VAL 57 6.555 -3.142 3.293 447 2HG1 VAL 57 HG12 VAL 57 6.241 -3.399 1.580 448 3HG1 VAL 57 HG11 VAL 57 7.201 -2.015 2.099 449 1HG2 VAL 57 HG22 VAL 57 3.902 -3.275 3.486 450 2HG2 VAL 57 HG21 VAL 57 2.983 -2.166 2.470 451 3HG2 VAL 57 HG23 VAL 57 3.927 -3.462 1.733 452 H ASP 58 HN ASP 58 7.397 -0.997 4.925 453 HA ASP 58 HA ASP 58 8.314 1.676 3.991 454 1HB ASP 58 HB2 ASP 58 8.426 0.912 6.422 455 2HB ASP 58 HB1 ASP 58 9.655 -0.247 5.898 456 H VAL 59 HN VAL 59 9.568 1.677 2.129 457 HA VAL 59 HA VAL 59 10.654 -0.782 1.044 458 HB VAL 59 HB VAL 59 11.852 0.719 -0.528 459 1HG1 VAL 59 HG12 VAL 59 8.948 1.373 0.034 460 2HG1 VAL 59 HG11 VAL 59 9.794 1.855 -1.438 461 3HG1 VAL 59 HG13 VAL 59 9.566 0.145 -1.071 462 1HG2 VAL 59 HG23 VAL 59 10.750 2.868 1.294 463 2HG2 VAL 59 HG22 VAL 59 12.443 2.532 0.934 464 3HG2 VAL 59 HG21 VAL 59 11.391 3.184 -0.319 465 H ASP 60 HN ASP 60 11.702 1.432 3.463 466 HA ASP 60 HA ASP 60 14.557 0.668 3.166 467 1HB ASP 60 HB2 ASP 60 13.031 2.691 4.786 468 2HB ASP 60 HB1 ASP 60 14.690 2.293 5.194 469 H ASP 61 HN ASP 61 11.920 0.260 5.560 470 HA ASP 61 HA ASP 61 13.733 -1.511 7.160 471 1HB ASP 61 HB2 ASP 61 10.924 -0.517 7.775 472 2HB ASP 61 HB1 ASP 61 11.942 -1.468 8.854 473 H ALA 62 HN ALA 62 11.297 -1.545 4.811 474 HA ALA 62 HA ALA 62 10.883 -4.483 5.176 475 1HB ALA 62 HB1 ALA 62 8.894 -2.648 5.451 476 2HB ALA 62 HB3 ALA 62 8.806 -2.915 3.711 477 3HB ALA 62 HB2 ALA 62 8.614 -4.271 4.822 478 H GLN 63 HN GLN 63 12.983 -3.243 3.755 479 HA GLN 63 HA GLN 63 12.500 -2.834 0.998 480 1HB GLN 63 HB2 GLN 63 14.884 -3.121 0.707 481 2HB GLN 63 HB1 GLN 63 14.624 -2.296 2.242 482 1HG GLN 63 HG2 GLN 63 14.740 -4.552 3.377 483 2HG GLN 63 HG1 GLN 63 15.243 -5.233 1.830 484 1HE2 GLN 63 HE22 GLN 63 18.014 -3.523 4.126 485 2HE2 GLN 63 HE21 GLN 63 16.481 -3.991 4.686 486 H ASP 64 HN ASP 64 12.774 -5.823 2.841 487 HA ASP 64 HA ASP 64 13.283 -7.547 0.623 488 1HB ASP 64 HB2 ASP 64 12.224 -9.317 2.098 489 2HB ASP 64 HB1 ASP 64 13.562 -8.440 2.832 490 H VAL 65 HN VAL 65 10.311 -6.182 1.968 491 HA VAL 65 HA VAL 65 8.530 -7.754 0.321 492 HB VAL 65 HB VAL 65 7.946 -4.995 1.435 493 1HG1 VAL 65 HG13 VAL 65 6.275 -6.095 -0.049 494 2HG1 VAL 65 HG12 VAL 65 6.214 -7.457 1.072 495 3HG1 VAL 65 HG11 VAL 65 5.675 -5.859 1.593 496 1HG2 VAL 65 HG21 VAL 65 8.217 -7.630 2.864 497 2HG2 VAL 65 HG23 VAL 65 8.840 -6.056 3.332 498 3HG2 VAL 65 HG22 VAL 65 7.118 -6.399 3.466 499 H ALA 66 HN ALA 66 9.897 -4.473 0.055 500 HA ALA 66 HA ALA 66 8.568 -3.876 -2.431 501 1HB ALA 66 HB3 ALA 66 9.626 -2.265 -0.670 502 2HB ALA 66 HB2 ALA 66 11.120 -2.534 -1.570 503 3HB ALA 66 HB1 ALA 66 9.711 -1.842 -2.379 504 H SER 67 HN SER 67 11.792 -5.105 -1.605 505 HA SER 67 HA SER 67 12.902 -4.974 -4.221 506 1HB SER 67 HB2 SER 67 14.500 -6.651 -3.443 507 2HB SER 67 HB1 SER 67 14.207 -5.484 -2.157 508 HG SER 67 HG SER 67 13.996 -7.460 -1.222 509 H GLU 68 HN GLU 68 10.696 -7.238 -2.724 510 HA GLU 68 HA GLU 68 10.878 -9.365 -4.614 511 1HB GLU 68 HB2 GLU 68 9.635 -9.420 -2.415 512 2HB GLU 68 HB1 GLU 68 8.378 -8.438 -3.166 513 1HG GLU 68 HG2 GLU 68 8.235 -10.237 -4.975 514 2HG GLU 68 HG1 GLU 68 9.247 -11.234 -3.927 515 H ALA 69 HN ALA 69 8.991 -6.361 -4.583 516 HA ALA 69 HA ALA 69 7.806 -7.011 -7.214 517 1HB ALA 69 HB2 ALA 69 7.476 -4.598 -5.414 518 2HB ALA 69 HB1 ALA 69 6.578 -4.879 -6.906 519 3HB ALA 69 HB3 ALA 69 6.367 -5.964 -5.531 520 H GLU 70 HN GLU 70 10.732 -5.785 -6.273 521 HA GLU 70 HA GLU 70 12.331 -4.444 -7.350 522 1HB GLU 70 HB2 GLU 70 10.590 -4.948 -9.786 523 2HB GLU 70 HB1 GLU 70 12.225 -4.305 -9.809 524 1HG GLU 70 HG2 GLU 70 11.478 -7.019 -8.701 525 2HG GLU 70 HG1 GLU 70 12.128 -6.737 -10.313 526 H VAL 71 HN VAL 71 10.519 -2.929 -5.950 527 HA VAL 71 HA VAL 71 9.067 -1.056 -7.550 528 HB VAL 71 HB VAL 71 10.361 -0.487 -4.868 529 1HG1 VAL 71 HG13 VAL 71 8.028 0.691 -6.407 530 2HG1 VAL 71 HG12 VAL 71 8.322 1.029 -4.704 531 3HG1 VAL 71 HG11 VAL 71 9.512 1.510 -5.919 532 1HG2 VAL 71 HG22 VAL 71 7.740 -1.852 -5.572 533 2HG2 VAL 71 HG21 VAL 71 9.056 -2.502 -4.598 534 3HG2 VAL 71 HG23 VAL 71 8.071 -1.178 -3.977 535 H LYS 72 HN LYS 72 9.776 0.625 -8.752 536 HA LYS 72 HA LYS 72 12.680 1.245 -8.712 537 1HB LYS 72 HB2 LYS 72 10.548 1.859 -10.777 538 2HB LYS 72 HB1 LYS 72 12.269 2.196 -10.953 539 1HG LYS 72 HG2 LYS 72 11.318 -0.617 -10.364 540 2HG LYS 72 HG1 LYS 72 11.327 0.000 -12.014 541 1HD LYS 72 HD2 LYS 72 13.758 0.564 -11.727 542 2HD LYS 72 HD1 LYS 72 13.707 -0.224 -10.150 543 1HE LYS 72 HE2 LYS 72 14.512 -1.851 -11.735 544 2HE LYS 72 HE1 LYS 72 12.863 -2.304 -11.303 545 1HZ LYS 72 HZ3 LYS 72 13.468 -0.616 -13.657 546 2HZ LYS 72 HZ2 LYS 72 13.445 -2.313 -13.749 547 3HZ LYS 72 HZ1 LYS 72 12.039 -1.463 -13.313 548 H ALA 73 HN ALA 73 9.713 2.542 -7.629 549 HA ALA 73 HA ALA 73 11.039 5.008 -6.831 550 1HB ALA 73 HB3 ALA 73 10.337 5.372 -9.265 551 2HB ALA 73 HB2 ALA 73 8.682 5.381 -8.657 552 3HB ALA 73 HB1 ALA 73 9.836 6.590 -8.092 553 H THR 74 HN THR 74 9.749 6.308 -5.388 554 HA THR 74 HA THR 74 7.244 4.994 -4.400 555 HB THR 74 HB THR 74 7.930 5.476 -2.109 556 HG1 THR 74 HG1 THR 74 10.082 6.808 -3.347 557 1HG2 THR 74 HG23 THR 74 8.926 3.455 -3.135 558 2HG2 THR 74 HG22 THR 74 10.327 4.420 -3.589 559 3HG2 THR 74 HG21 THR 74 9.953 4.164 -1.889 560 HA PRO 75 HA PRO 75 5.847 5.706 -2.615 561 1HB PRO 75 HB2 PRO 75 3.271 6.681 -2.692 562 2HB PRO 75 HB1 PRO 75 4.500 7.220 -1.540 563 1HG PRO 75 HG2 PRO 75 3.450 8.610 -3.949 564 2HG PRO 75 HG1 PRO 75 4.119 9.287 -2.462 565 1HD PRO 75 HD2 PRO 75 5.470 9.084 -4.937 566 2HD PRO 75 HD1 PRO 75 6.232 9.429 -3.357 567 H THR 76 HN THR 76 4.965 3.799 -3.296 568 HA THR 76 HA THR 76 3.530 3.767 -5.926 569 HB THR 76 HB THR 76 5.453 1.665 -4.907 570 HG1 THR 76 HG1 THR 76 6.242 2.489 -7.183 571 1HG2 THR 76 HG23 THR 76 3.727 1.857 -7.385 572 2HG2 THR 76 HG22 THR 76 5.050 0.703 -7.208 573 3HG2 THR 76 HG21 THR 76 3.656 0.619 -6.129 574 H PHE 77 HN PHE 77 1.640 2.800 -5.871 575 HA PHE 77 HA PHE 77 0.822 1.345 -3.384 576 1HB PHE 77 HB2 PHE 77 -0.871 2.780 -5.458 577 2HB PHE 77 HB1 PHE 77 -1.480 1.991 -4.001 578 HD1 PHE 77 HD1 PHE 77 -0.897 2.895 -1.744 579 HD2 PHE 77 HD2 PHE 77 0.216 4.915 -5.366 580 HE1 PHE 77 HE1 PHE 77 -0.463 4.970 -0.449 581 HE2 PHE 77 HE2 PHE 77 0.647 6.994 -4.080 582 HZ PHE 77 HZ PHE 77 0.308 7.024 -1.615 583 H GLN 78 HN GLN 78 0.272 -0.791 -3.610 584 HA GLN 78 HA GLN 78 -0.184 -1.847 -6.391 585 1HB GLN 78 HB2 GLN 78 1.307 -3.101 -4.081 586 2HB GLN 78 HB1 GLN 78 0.802 -4.000 -5.512 587 1HG GLN 78 HG2 GLN 78 2.055 -2.365 -6.918 588 2HG GLN 78 HG1 GLN 78 2.651 -1.599 -5.447 589 1HE2 GLN 78 HE22 GLN 78 5.396 -3.833 -5.748 590 2HE2 GLN 78 HE21 GLN 78 4.885 -2.220 -5.873 591 H PHE 79 HN PHE 79 -1.919 -3.143 -6.651 592 HA PHE 79 HA PHE 79 -3.683 -3.504 -4.257 593 1HB PHE 79 HB2 PHE 79 -4.279 -3.486 -7.227 594 2HB PHE 79 HB1 PHE 79 -5.480 -3.788 -5.964 595 HD1 PHE 79 HD2 PHE 79 -3.004 -1.311 -7.221 596 HD2 PHE 79 HD1 PHE 79 -6.390 -2.006 -4.684 597 HE1 PHE 79 HE2 PHE 79 -3.191 1.126 -6.807 598 HE2 PHE 79 HE1 PHE 79 -6.576 0.427 -4.257 599 HZ PHE 79 HZ PHE 79 -4.981 1.993 -5.319 600 H PHE 80 HN PHE 80 -4.263 -5.483 -3.588 601 HA PHE 80 HA PHE 80 -3.530 -7.843 -5.257 602 1HB PHE 80 HB2 PHE 80 -3.039 -7.419 -2.307 603 2HB PHE 80 HB1 PHE 80 -2.998 -9.009 -3.066 604 HD1 PHE 80 HD2 PHE 80 -1.318 -5.712 -2.832 605 HD2 PHE 80 HD1 PHE 80 -1.234 -9.626 -4.620 606 HE1 PHE 80 HE2 PHE 80 1.025 -5.344 -3.544 607 HE2 PHE 80 HE1 PHE 80 1.108 -9.242 -5.337 608 HZ PHE 80 HZ PHE 80 2.236 -7.100 -4.797 609 H LYS 81 HN LYS 81 -4.964 -9.601 -5.122 610 HA LYS 81 HA LYS 81 -7.329 -9.337 -3.336 611 1HB LYS 81 HB2 LYS 81 -7.780 -8.178 -5.578 612 2HB LYS 81 HB1 LYS 81 -7.637 -9.770 -6.326 613 1HG LYS 81 HG2 LYS 81 -9.433 -10.600 -4.814 614 2HG LYS 81 HG1 LYS 81 -9.623 -8.974 -4.174 615 1HD LYS 81 HD2 LYS 81 -9.856 -9.603 -7.123 616 2HD LYS 81 HD1 LYS 81 -11.243 -9.652 -6.038 617 1HE LYS 81 HE2 LYS 81 -10.541 -7.238 -5.367 618 2HE LYS 81 HE1 LYS 81 -9.561 -7.277 -6.832 619 1HZ LYS 81 HZ1 LYS 81 -12.298 -8.195 -7.119 620 2HZ LYS 81 HZ3 LYS 81 -12.115 -6.540 -6.795 621 3HZ LYS 81 HZ2 LYS 81 -11.358 -7.227 -8.151 622 H LYS 82 HN LYS 82 -7.574 -11.342 -2.433 623 HA LYS 82 HA LYS 82 -7.361 -13.657 -2.117 624 1HB LYS 82 HB2 LYS 82 -7.600 -13.737 -5.147 625 2HB LYS 82 HB1 LYS 82 -7.772 -15.112 -4.061 626 1HG LYS 82 HG2 LYS 82 -9.746 -14.242 -3.091 627 2HG LYS 82 HG1 LYS 82 -9.489 -12.649 -3.786 628 1HD LYS 82 HD2 LYS 82 -9.866 -13.525 -6.035 629 2HD LYS 82 HD1 LYS 82 -10.006 -15.164 -5.397 630 1HE LYS 82 HE2 LYS 82 -11.816 -12.890 -4.553 631 2HE LYS 82 HE1 LYS 82 -12.215 -14.019 -5.850 632 1HZ LYS 82 HZ1 LYS 82 -11.339 -15.248 -3.384 633 2HZ LYS 82 HZ3 LYS 82 -12.810 -14.412 -3.271 634 3HZ LYS 82 HZ2 LYS 82 -12.630 -15.662 -4.408 635 H GLY 83 HN GLY 83 -4.962 -12.043 -2.408 636 1HA GLY 83 HA2 GLY 83 -2.669 -12.519 -2.387 637 2HA GLY 83 HA1 GLY 83 -3.061 -14.195 -2.765 638 H GLN 84 HN GLN 84 -4.398 -11.754 -4.851 639 HA GLN 84 HA GLN 84 -2.303 -12.380 -6.894 640 1HB GLN 84 HB2 GLN 84 -5.300 -12.145 -7.254 641 2HB GLN 84 HB1 GLN 84 -4.161 -12.167 -8.593 642 1HG GLN 84 HG2 GLN 84 -4.247 -14.347 -6.498 643 2HG GLN 84 HG1 GLN 84 -5.183 -14.421 -7.992 644 1HE2 GLN 84 HE22 GLN 84 -1.479 -13.973 -9.340 645 2HE2 GLN 84 HE21 GLN 84 -2.469 -12.701 -8.794 646 H LYS 85 HN LYS 85 -1.384 -10.658 -7.882 647 HA LYS 85 HA LYS 85 -2.150 -7.942 -7.086 648 1HB LYS 85 HB2 LYS 85 0.221 -8.645 -7.422 649 2HB LYS 85 HB1 LYS 85 -0.119 -8.883 -9.135 650 1HG LYS 85 HG2 LYS 85 -0.850 -6.457 -9.218 651 2HG LYS 85 HG1 LYS 85 -0.221 -6.289 -7.582 652 1HD LYS 85 HD2 LYS 85 1.994 -7.117 -8.403 653 2HD LYS 85 HD1 LYS 85 1.338 -7.119 -10.042 654 1HE LYS 85 HE2 LYS 85 0.898 -4.717 -9.901 655 2HE LYS 85 HE1 LYS 85 1.475 -4.692 -8.233 656 1HZ LYS 85 HZ2 LYS 85 3.368 -5.905 -9.980 657 2HZ LYS 85 HZ1 LYS 85 2.986 -4.331 -10.492 658 3HZ LYS 85 HZ3 LYS 85 3.568 -4.591 -8.921 659 H VAL 86 HN VAL 86 -3.651 -6.751 -8.157 660 HA VAL 86 HA VAL 86 -4.236 -7.408 -11.027 661 HB VAL 86 HB VAL 86 -6.575 -6.630 -10.506 662 1HG1 VAL 86 HG13 VAL 86 -5.809 -9.067 -10.532 663 2HG1 VAL 86 HG12 VAL 86 -5.725 -8.963 -8.773 664 3HG1 VAL 86 HG11 VAL 86 -7.267 -8.736 -9.596 665 1HG2 VAL 86 HG22 VAL 86 -5.969 -5.353 -8.469 666 2HG2 VAL 86 HG21 VAL 86 -7.231 -6.540 -8.141 667 3HG2 VAL 86 HG23 VAL 86 -5.568 -6.865 -7.657 668 H GLY 87 HN GLY 87 -2.711 -5.104 -9.286 669 1HA GLY 87 HA2 GLY 87 -3.033 -3.108 -11.315 670 2HA GLY 87 HA1 GLY 87 -4.086 -2.701 -9.965 671 H GLU 88 HN GLU 88 -1.835 -1.173 -10.896 672 HA GLU 88 HA GLU 88 -0.536 -0.682 -8.363 673 1HB GLU 88 HB2 GLU 88 0.848 -2.554 -8.930 674 2HB GLU 88 HB1 GLU 88 1.046 -1.990 -10.582 675 1HG GLU 88 HG2 GLU 88 1.962 -0.295 -8.257 676 2HG GLU 88 HG1 GLU 88 2.982 -1.592 -8.881 677 H PHE 89 HN PHE 89 0.549 1.333 -8.370 678 HA PHE 89 HA PHE 89 1.115 2.726 -10.848 679 1HB PHE 89 HB2 PHE 89 -0.558 4.400 -10.844 680 2HB PHE 89 HB1 PHE 89 -1.434 2.895 -10.606 681 HD1 PHE 89 HD1 PHE 89 -0.007 5.840 -8.837 682 HD2 PHE 89 HD2 PHE 89 -2.749 2.547 -8.649 683 HE1 PHE 89 HE1 PHE 89 -0.987 6.779 -6.760 684 HE2 PHE 89 HE2 PHE 89 -3.724 3.480 -6.569 685 HZ PHE 89 HZ PHE 89 -2.853 5.603 -5.628 686 H SER 90 HN SER 90 2.041 4.864 -10.444 687 HA SER 90 HA SER 90 2.991 5.229 -7.623 688 1HB SER 90 HB2 SER 90 5.139 6.012 -8.535 689 2HB SER 90 HB1 SER 90 4.827 4.349 -9.026 690 HG SER 90 HG SER 90 3.733 6.054 -10.785 691 H GLY 91 HN GLY 91 3.652 7.461 -7.168 692 1HA GLY 91 HA2 GLY 91 3.642 9.824 -8.069 693 2HA GLY 91 HA1 GLY 91 2.085 9.451 -8.795 694 H ALA 92 HN ALA 92 3.022 11.381 -6.603 695 HA ALA 92 HA ALA 92 1.688 10.469 -4.187 696 1HB ALA 92 HB3 ALA 92 2.766 13.113 -5.159 697 2HB ALA 92 HB2 ALA 92 1.944 12.974 -3.608 698 3HB ALA 92 HB1 ALA 92 3.428 12.064 -3.912 699 H ASN 93 HN ASN 93 -0.312 9.939 -5.759 700 HA ASN 93 HA ASN 93 -2.175 12.293 -5.671 701 1HB ASN 93 HB2 ASN 93 -1.650 11.454 -7.983 702 2HB ASN 93 HB1 ASN 93 -2.374 9.911 -7.522 703 1HD2 ASN 93 HD22 ASN 93 -4.772 13.000 -8.490 704 2HD2 ASN 93 HD21 ASN 93 -3.087 13.084 -8.649 705 H LYS 94 HN LYS 94 -3.119 11.898 -3.687 706 HA LYS 94 HA LYS 94 -3.770 9.269 -2.700 707 1HB LYS 94 HB2 LYS 94 -5.124 10.563 -1.038 708 2HB LYS 94 HB1 LYS 94 -3.444 11.069 -1.152 709 1HG LYS 94 HG2 LYS 94 -5.214 12.528 -3.025 710 2HG LYS 94 HG1 LYS 94 -5.669 12.761 -1.350 711 1HD LYS 94 HD2 LYS 94 -3.220 13.332 -0.896 712 2HD LYS 94 HD1 LYS 94 -3.001 13.352 -2.651 713 1HE LYS 94 HE2 LYS 94 -5.079 14.998 -1.180 714 2HE LYS 94 HE1 LYS 94 -3.494 15.611 -1.657 715 1HZ LYS 94 HZ2 LYS 94 -5.536 14.492 -3.503 716 2HZ LYS 94 HZ1 LYS 94 -5.184 16.142 -3.307 717 3HZ LYS 94 HZ3 LYS 94 -4.015 15.098 -3.957 718 H GLU 95 HN GLU 95 -5.609 11.637 -4.599 719 HA GLU 95 HA GLU 95 -8.186 10.461 -4.181 720 1HB GLU 95 HB2 GLU 95 -7.135 12.052 -6.543 721 2HB GLU 95 HB1 GLU 95 -8.835 11.732 -6.198 722 1HG GLU 95 HG2 GLU 95 -8.546 12.846 -3.975 723 2HG GLU 95 HG1 GLU 95 -6.903 13.276 -4.449 724 H LYS 96 HN LYS 96 -5.529 9.700 -6.290 725 HA LYS 96 HA LYS 96 -6.867 8.102 -8.222 726 1HB LYS 96 HB2 LYS 96 -4.471 8.934 -8.236 727 2HB LYS 96 HB1 LYS 96 -4.084 7.637 -7.121 728 1HG LYS 96 HG2 LYS 96 -4.592 5.954 -8.706 729 2HG LYS 96 HG1 LYS 96 -5.448 7.086 -9.756 730 1HD LYS 96 HD2 LYS 96 -3.337 8.278 -10.207 731 2HD LYS 96 HD1 LYS 96 -2.473 7.152 -9.167 732 1HE LYS 96 HE2 LYS 96 -3.137 5.279 -10.645 733 2HE LYS 96 HE1 LYS 96 -3.998 6.412 -11.686 734 1HZ LYS 96 HZ2 LYS 96 -1.194 6.979 -11.079 735 2HZ LYS 96 HZ1 LYS 96 -1.521 5.707 -12.157 736 3HZ LYS 96 HZ3 LYS 96 -2.078 7.272 -12.500 737 H LEU 97 HN LEU 97 -5.678 7.430 -4.981 738 HA LEU 97 HA LEU 97 -5.946 4.588 -4.965 739 1HB LEU 97 HB2 LEU 97 -6.281 6.690 -2.809 740 2HB LEU 97 HB1 LEU 97 -6.425 4.980 -2.461 741 HG LEU 97 HG LEU 97 -3.991 6.257 -3.725 742 1HD1 LEU 97 HD13 LEU 97 -4.643 5.551 -0.854 743 2HD1 LEU 97 HD12 LEU 97 -2.997 5.834 -1.422 744 3HD1 LEU 97 HD11 LEU 97 -4.191 7.131 -1.495 745 1HD2 LEU 97 HD22 LEU 97 -4.735 3.462 -2.865 746 2HD2 LEU 97 HD21 LEU 97 -3.830 3.985 -4.280 747 3HD2 LEU 97 HD23 LEU 97 -3.065 3.975 -2.701 748 H GLU 98 HN GLU 98 -8.197 7.208 -4.372 749 HA GLU 98 HA GLU 98 -10.412 5.662 -3.465 750 1HB GLU 98 HB2 GLU 98 -10.239 8.134 -3.298 751 2HB GLU 98 HB1 GLU 98 -10.465 8.252 -5.039 752 1HG GLU 98 HG2 GLU 98 -12.610 8.654 -4.055 753 2HG GLU 98 HG1 GLU 98 -12.686 7.024 -4.714 754 H ALA 99 HN ALA 99 -9.513 6.590 -6.804 755 HA ALA 99 HA ALA 99 -11.911 5.503 -7.954 756 1HB ALA 99 HB2 ALA 99 -10.365 7.145 -9.076 757 2HB ALA 99 HB1 ALA 99 -9.244 5.807 -9.344 758 3HB ALA 99 HB3 ALA 99 -10.844 5.782 -10.088 759 H THR 100 HN THR 100 -8.654 4.068 -7.597 760 HA THR 100 HA THR 100 -9.348 1.671 -9.000 761 HB THR 100 HB THR 100 -7.244 1.951 -6.839 762 HG1 THR 100 HG1 THR 100 -6.313 2.120 -9.327 763 1HG2 THR 100 HG22 THR 100 -7.696 0.057 -9.157 764 2HG2 THR 100 HG21 THR 100 -6.132 0.219 -8.362 765 3HG2 THR 100 HG23 THR 100 -7.532 -0.345 -7.449 766 H ILE 101 HN ILE 101 -9.505 2.533 -5.560 767 HA ILE 101 HA ILE 101 -10.182 -0.053 -4.541 768 HB ILE 101 HB ILE 101 -10.950 2.739 -3.635 769 1HG1 ILE 101 HG12 ILE 101 -9.018 0.802 -2.335 770 2HG1 ILE 101 HG11 ILE 101 -8.496 1.875 -3.632 771 1HG2 ILE 101 HG21 ILE 101 -11.450 0.042 -2.357 772 2HG2 ILE 101 HG23 ILE 101 -11.406 1.533 -1.415 773 3HG2 ILE 101 HG22 ILE 101 -12.614 1.326 -2.681 774 1HD1 ILE 101 HD11 ILE 101 -9.391 3.812 -2.289 775 2HD1 ILE 101 HD13 ILE 101 -9.685 2.683 -0.966 776 3HD1 ILE 101 HD12 ILE 101 -8.039 2.974 -1.529 777 H ASN 102 HN ASN 102 -12.272 2.648 -5.570 778 HA ASN 102 HA ASN 102 -14.731 1.241 -5.259 779 1HB ASN 102 HB2 ASN 102 -14.456 3.739 -5.606 780 2HB ASN 102 HB1 ASN 102 -14.158 3.395 -7.313 781 1HD2 ASN 102 HD22 ASN 102 -17.658 3.673 -7.739 782 2HD2 ASN 102 HD21 ASN 102 -16.138 4.344 -8.085 783 H GLU 103 HN GLU 103 -12.369 1.388 -7.836 784 HA GLU 103 HA GLU 103 -13.935 0.120 -9.869 785 1HB GLU 103 HB2 GLU 103 -11.773 1.426 -10.154 786 2HB GLU 103 HB1 GLU 103 -10.933 0.011 -9.528 787 1HG GLU 103 HG2 GLU 103 -10.886 -0.157 -11.931 788 2HG GLU 103 HG1 GLU 103 -12.030 -1.361 -11.340 789 H LEU 104 HN LEU 104 -11.664 -1.165 -7.447 790 HA LEU 104 HA LEU 104 -12.243 -3.933 -8.363 791 1HB LEU 104 HB2 LEU 104 -10.270 -2.896 -6.312 792 2HB LEU 104 HB1 LEU 104 -10.394 -4.567 -6.849 793 HG LEU 104 HG LEU 104 -9.759 -2.203 -8.639 794 1HD1 LEU 104 HD13 LEU 104 -7.987 -4.399 -7.529 795 2HD1 LEU 104 HD12 LEU 104 -7.486 -3.193 -8.715 796 3HD1 LEU 104 HD11 LEU 104 -7.929 -2.694 -7.082 797 1HD2 LEU 104 HD23 LEU 104 -10.159 -5.155 -9.117 798 2HD2 LEU 104 HD22 LEU 104 -10.710 -3.788 -10.086 799 3HD2 LEU 104 HD21 LEU 104 -9.017 -4.267 -10.127 800 H VAL 105 HN VAL 105 -13.606 -1.801 -6.158 801 HA VAL 105 HA VAL 105 -13.885 -3.537 -3.881 802 HB VAL 105 HB VAL 105 -14.410 -1.022 -3.947 803 1HG1 VAL 105 HG12 VAL 105 -16.016 -1.448 -5.988 804 2HG1 VAL 105 HG11 VAL 105 -17.193 -1.861 -4.747 805 3HG1 VAL 105 HG13 VAL 105 -16.466 -0.254 -4.773 806 1HG2 VAL 105 HG23 VAL 105 -16.416 -2.957 -2.752 807 2HG2 VAL 105 HG22 VAL 105 -14.906 -2.436 -2.007 808 3HG2 VAL 105 HG21 VAL 105 -16.215 -1.278 -2.250 809 HA PRO 59 HA PRO 106 14.143 16.011 -14.160 810 1HB PRO 59 HB2 PRO 106 16.734 15.711 -12.670 811 2HB PRO 59 HB1 PRO 106 16.310 15.176 -14.310 812 1HG PRO 59 HG2 PRO 106 17.837 17.315 -13.929 813 2HG PRO 59 HG1 PRO 106 16.617 17.284 -15.216 814 1HD PRO 59 HD2 PRO 106 16.536 18.711 -12.582 815 2HD PRO 59 HD1 PRO 106 15.856 19.201 -14.151 816 H ALA 60 HN ALA 107 14.922 16.970 -10.856 817 HA ALA 60 HA ALA 107 13.974 14.368 -9.776 818 1HB ALA 60 HB1 ALA 107 15.111 16.848 -8.443 819 2HB ALA 60 HB3 ALA 107 14.631 15.390 -7.578 820 3HB ALA 60 HB2 ALA 107 15.964 15.332 -8.730 821 H THR 61 HN THR 108 11.851 14.135 -9.240 822 HA THR 61 HA THR 108 10.169 16.599 -8.933 823 HB THR 61 HB THR 108 9.242 13.737 -9.311 824 HG1 THR 61 HG1 THR 108 10.618 14.910 -11.014 825 1HG2 THR 61 HG22 THR 108 7.676 15.542 -8.407 826 2HG2 THR 61 HG21 THR 108 7.844 16.333 -9.974 827 3HG2 THR 61 HG23 THR 108 7.143 14.720 -9.871 828 H LEU 62 HN LEU 109 9.364 17.084 -6.926 829 HA LEU 62 HA LEU 109 10.114 15.559 -4.606 830 1HB LEU 62 HB2 LEU 109 8.094 17.782 -4.998 831 2HB LEU 62 HB1 LEU 109 8.476 17.091 -3.423 832 HG LEU 62 HG LEU 109 10.515 18.350 -5.287 833 1HD1 LEU 62 HD13 LEU 109 8.836 19.967 -4.389 834 2HD1 LEU 62 HD12 LEU 109 9.269 19.465 -2.755 835 3HD1 LEU 62 HD11 LEU 109 10.461 20.267 -3.776 836 1HD2 LEU 62 HD21 LEU 109 10.655 17.003 -2.601 837 2HD2 LEU 62 HD23 LEU 109 11.819 16.990 -3.926 838 3HD2 LEU 62 HD22 LEU 109 11.701 18.396 -2.872 839 H LYS 63 HN LYS 110 7.286 15.592 -6.664 840 HA LYS 63 HA LYS 110 5.453 14.257 -4.946 841 1HB LYS 63 HB2 LYS 110 5.697 14.024 -7.964 842 2HB LYS 63 HB1 LYS 110 4.272 13.616 -7.011 843 1HG LYS 63 HG2 LYS 110 5.506 16.370 -7.343 844 2HG LYS 63 HG1 LYS 110 3.959 15.822 -7.984 845 1HD LYS 63 HD2 LYS 110 3.396 15.331 -5.461 846 2HD LYS 63 HD1 LYS 110 4.715 16.454 -5.139 847 1HE LYS 63 HE2 LYS 110 3.606 18.168 -6.524 848 2HE LYS 63 HE1 LYS 110 2.276 17.053 -6.843 849 1HZ LYS 63 HZ1 LYS 110 3.060 17.673 -4.074 850 2HZ LYS 63 HZ3 LYS 110 2.066 18.747 -4.931 851 3HZ LYS 63 HZ2 LYS 110 1.559 17.147 -4.668 852 H ILE 64 HN ILE 111 8.302 13.152 -6.479 853 HA ILE 64 HA ILE 111 7.680 10.306 -5.722 854 HB ILE 64 HB ILE 111 9.263 11.304 -8.121 855 1HG1 ILE 64 HG12 ILE 111 6.861 11.408 -8.512 856 2HG1 ILE 64 HG11 ILE 111 7.550 10.080 -9.437 857 1HG2 ILE 64 HG22 ILE 111 8.822 8.502 -7.058 858 2HG2 ILE 64 HG21 ILE 111 9.437 8.849 -8.672 859 3HG2 ILE 64 HG23 ILE 111 10.364 9.336 -7.255 860 1HD1 ILE 64 HD12 ILE 111 6.910 8.701 -7.216 861 2HD1 ILE 64 HD11 ILE 111 5.730 10.000 -7.070 862 3HD1 ILE 64 HD13 ILE 111 5.744 8.979 -8.505 863 H CYS 65 HN CYS 112 9.366 9.265 -4.583 864 HA CYS 65 HA CYS 112 11.758 10.950 -3.945 865 1HB CYS 65 HB2 CYS 112 10.998 8.376 -2.551 866 2HB CYS 65 HB1 CYS 112 12.077 9.636 -1.978 867 H SER 66 HN SER 113 13.683 10.365 -4.903 868 HA SER 66 HA SER 113 13.737 8.047 -6.682 869 1HB SER 66 HB2 SER 113 15.902 10.024 -5.906 870 2HB SER 66 HB1 SER 113 16.068 8.801 -7.164 871 HG SER 66 HG SER 113 15.383 10.923 -7.893 872 H TRP 67 HN TRP 114 14.850 6.123 -6.400 873 HA TRP 67 HA TRP 114 15.498 5.316 -3.686 874 1HB TRP 67 HB2 TRP 114 15.817 3.919 -6.357 875 2HB TRP 67 HB1 TRP 114 16.241 3.174 -4.814 876 HD1 TRP 67 HD1 TRP 114 13.201 5.187 -6.082 877 HE1 TRP 67 HE1 TRP 114 11.066 3.997 -5.286 878 HE3 TRP 67 HE3 TRP 114 15.247 1.220 -3.642 879 HZ2 TRP 67 HZ2 TRP 114 10.338 1.698 -3.773 880 HZ3 TRP 67 HZ3 TRP 114 13.820 -0.456 -2.531 881 HH2 TRP 67 HH2 TRP 114 11.359 -0.228 -2.605 882 H ASN 68 HN ASN 115 17.212 6.952 -6.095 883 HA ASN 68 HA ASN 115 19.819 5.931 -5.950 884 1HB ASN 68 HB2 ASN 115 18.875 8.817 -6.079 885 2HB ASN 68 HB1 ASN 115 20.556 8.326 -6.301 886 1HD2 ASN 68 HD22 ASN 115 18.597 6.251 -9.095 887 2HD2 ASN 68 HD21 ASN 115 18.625 5.827 -7.452 888 H VAL 69 HN VAL 116 17.887 7.164 -3.447 889 HA VAL 69 HA VAL 116 19.878 8.320 -1.741 890 HB VAL 69 HB VAL 116 18.226 7.798 0.089 891 1HG1 VAL 69 HG13 VAL 116 18.111 9.809 -1.524 892 2HG1 VAL 69 HG12 VAL 116 16.821 8.925 -2.339 893 3HG1 VAL 69 HG11 VAL 116 16.635 9.398 -0.650 894 1HG2 VAL 69 HG23 VAL 116 17.439 5.654 -1.139 895 2HG2 VAL 69 HG22 VAL 116 16.196 6.645 -0.385 896 3HG2 VAL 69 HG21 VAL 116 16.456 6.734 -2.125 897 H ASP 70 HN ASP 117 21.142 7.345 -0.093 898 HA ASP 70 HA ASP 117 22.155 4.734 -0.615 899 1HB ASP 70 HB2 ASP 117 22.247 6.448 1.880 900 2HB ASP 70 HB1 ASP 117 23.137 4.936 1.715 901 H GLY 71 HN GLY 118 19.721 5.853 1.726 902 1HA GLY 71 HA2 GLY 118 18.190 4.642 3.035 903 2HA GLY 71 HA1 GLY 118 18.184 3.491 1.699 No H/Q in entry = 903 Start of MODEL 33 1 1H MET 1 HT1 MET 1 -9.173 -1.482 9.132 2 2H MET 1 HT3 MET 1 -8.899 -3.051 9.716 3 3H MET 1 HT2 MET 1 -9.898 -1.985 10.584 4 HA MET 1 HA MET 1 -8.068 -0.587 11.145 5 1HB MET 1 HB2 MET 1 -7.436 -3.535 11.499 6 2HB MET 1 HB1 MET 1 -6.685 -2.229 12.417 7 1HG MET 1 HG2 MET 1 -9.664 -2.792 12.340 8 2HG MET 1 HG1 MET 1 -8.585 -3.295 13.638 9 1HE MET 1 HE2 MET 1 -7.919 -2.069 15.494 10 2HE MET 1 HE1 MET 1 -6.722 -1.215 14.527 11 3HE MET 1 HE3 MET 1 -7.758 -0.324 15.648 12 H VAL 2 HN VAL 2 -5.578 -0.492 11.146 13 HA VAL 2 HA VAL 2 -4.625 -0.922 8.345 14 HB VAL 2 HB VAL 2 -3.485 0.735 10.619 15 1HG1 VAL 2 HG13 VAL 2 -2.618 0.294 7.753 16 2HG1 VAL 2 HG12 VAL 2 -2.097 1.689 8.699 17 3HG1 VAL 2 HG11 VAL 2 -1.665 0.058 9.220 18 1HG2 VAL 2 HG22 VAL 2 -5.599 1.612 9.677 19 2HG2 VAL 2 HG21 VAL 2 -4.232 2.639 9.236 20 3HG2 VAL 2 HG23 VAL 2 -4.907 1.515 8.058 21 H LYS 3 HN LYS 3 -2.680 -2.081 7.941 22 HA LYS 3 HA LYS 3 -1.479 -3.565 10.255 23 1HB LYS 3 HB2 LYS 3 -3.026 -5.025 8.969 24 2HB LYS 3 HB1 LYS 3 -2.141 -4.643 7.494 25 1HG LYS 3 HG2 LYS 3 -0.198 -5.774 8.239 26 2HG LYS 3 HG1 LYS 3 -0.777 -5.880 9.897 27 1HD LYS 3 HD2 LYS 3 -2.568 -7.408 9.189 28 2HD LYS 3 HD1 LYS 3 -2.058 -7.247 7.505 29 1HE LYS 3 HE2 LYS 3 -1.151 -9.317 8.431 30 2HE LYS 3 HE1 LYS 3 0.168 -8.187 8.123 31 1HZ LYS 3 HZ3 LYS 3 -0.997 -7.916 10.738 32 2HZ LYS 3 HZ2 LYS 3 -0.301 -9.444 10.470 33 3HZ LYS 3 HZ1 LYS 3 0.634 -8.036 10.284 34 H GLN 4 HN GLN 4 0.691 -3.217 10.334 35 HA GLN 4 HA GLN 4 2.041 -2.072 7.932 36 1HB GLN 4 HB2 GLN 4 2.320 -0.894 10.119 37 2HB GLN 4 HB1 GLN 4 3.062 -2.353 10.781 38 1HG GLN 4 HG2 GLN 4 4.851 -2.238 9.096 39 2HG GLN 4 HG1 GLN 4 4.102 -0.805 8.385 40 1HE2 GLN 4 HE22 GLN 4 6.290 1.040 10.505 41 2HE2 GLN 4 HE21 GLN 4 5.936 0.596 8.904 42 H ILE 5 HN ILE 5 3.287 -3.383 6.724 43 HA ILE 5 HA ILE 5 3.982 -6.103 7.760 44 HB ILE 5 HB ILE 5 4.281 -4.993 4.954 45 1HG1 ILE 5 HG12 ILE 5 1.919 -4.833 5.593 46 2HG1 ILE 5 HG11 ILE 5 2.146 -6.148 4.442 47 1HG2 ILE 5 HG22 ILE 5 4.213 -7.773 6.128 48 2HG2 ILE 5 HG21 ILE 5 4.141 -7.425 4.407 49 3HG2 ILE 5 HG23 ILE 5 5.573 -6.983 5.326 50 1HD1 ILE 5 HD11 ILE 5 2.234 -7.750 6.375 51 2HD1 ILE 5 HD13 ILE 5 1.831 -6.412 7.443 52 3HD1 ILE 5 HD12 ILE 5 0.688 -6.925 6.214 53 H GLU 6 HN GLU 6 5.972 -6.109 8.743 54 HA GLU 6 HA GLU 6 8.064 -4.240 7.756 55 1HB GLU 6 HB2 GLU 6 8.028 -6.066 10.173 56 2HB GLU 6 HB1 GLU 6 9.280 -4.886 9.793 57 1HG GLU 6 HG2 GLU 6 6.369 -4.139 10.152 58 2HG GLU 6 HG1 GLU 6 7.541 -4.101 11.468 59 H SER 7 HN SER 7 7.044 -7.307 7.011 60 HA SER 7 HA SER 7 9.690 -7.955 5.864 61 1HB SER 7 HB2 SER 7 9.726 -10.227 6.829 62 2HB SER 7 HB1 SER 7 9.816 -8.993 8.090 63 HG SER 7 HG SER 7 7.288 -9.375 7.757 64 H LYS 8 HN LYS 8 9.585 -9.605 4.245 65 HA LYS 8 HA LYS 8 7.166 -9.626 2.693 66 1HB LYS 8 HB2 LYS 8 9.560 -10.041 1.854 67 2HB LYS 8 HB1 LYS 8 9.384 -11.667 2.518 68 1HG LYS 8 HG2 LYS 8 7.394 -12.042 1.129 69 2HG LYS 8 HG1 LYS 8 7.539 -10.411 0.473 70 1HD LYS 8 HD2 LYS 8 8.496 -12.056 -1.089 71 2HD LYS 8 HD1 LYS 8 9.753 -10.986 -0.469 72 1HE LYS 8 HE2 LYS 8 10.685 -12.651 0.887 73 2HE LYS 8 HE1 LYS 8 9.193 -13.598 0.925 74 1HZ LYS 8 HZ1 LYS 8 10.233 -13.240 -1.722 75 2HZ LYS 8 HZ3 LYS 8 11.321 -14.046 -0.701 76 3HZ LYS 8 HZ2 LYS 8 9.755 -14.663 -0.928 77 H THR 9 HN THR 9 8.563 -11.760 5.101 78 HA THR 9 HA THR 9 6.934 -14.027 4.697 79 HB THR 9 HB THR 9 7.831 -12.920 7.371 80 HG1 THR 9 HG1 THR 9 9.182 -14.695 5.623 81 1HG2 THR 9 HG21 THR 9 6.962 -15.637 6.386 82 2HG2 THR 9 HG23 THR 9 7.980 -15.460 7.816 83 3HG2 THR 9 HG22 THR 9 6.376 -14.731 7.781 84 H ALA 10 HN ALA 10 6.366 -11.171 6.743 85 HA ALA 10 HA ALA 10 3.707 -11.979 7.532 86 1HB ALA 10 HB2 ALA 10 5.184 -9.338 7.551 87 2HB ALA 10 HB1 ALA 10 3.497 -9.457 8.058 88 3HB ALA 10 HB3 ALA 10 4.745 -10.352 8.922 89 H PHE 11 HN PHE 11 5.025 -10.270 4.752 90 HA PHE 11 HA PHE 11 2.632 -9.046 3.783 91 1HB PHE 11 HB2 PHE 11 5.003 -8.783 2.843 92 2HB PHE 11 HB1 PHE 11 4.793 -10.343 2.079 93 HD1 PHE 11 HD1 PHE 11 2.925 -7.098 2.432 94 HD2 PHE 11 HD2 PHE 11 4.039 -10.362 -0.131 95 HE1 PHE 11 HE1 PHE 11 1.788 -5.998 0.529 96 HE2 PHE 11 HE2 PHE 11 2.893 -9.260 -2.030 97 HZ PHE 11 HZ PHE 11 1.769 -7.080 -1.697 98 H GLN 12 HN GLN 12 4.009 -12.273 3.242 99 HA GLN 12 HA GLN 12 1.908 -13.189 1.507 100 1HB GLN 12 HB2 GLN 12 3.663 -14.811 3.386 101 2HB GLN 12 HB1 GLN 12 2.793 -15.419 1.978 102 1HG GLN 12 HG2 GLN 12 4.948 -13.290 1.868 103 2HG GLN 12 HG1 GLN 12 5.204 -14.992 1.495 104 1HE2 GLN 12 HE22 GLN 12 3.852 -12.642 -1.414 105 2HE2 GLN 12 HE21 GLN 12 4.622 -12.077 -0.011 106 H GLU 13 HN GLU 13 2.419 -13.422 5.019 107 HA GLU 13 HA GLU 13 0.045 -14.929 5.582 108 1HB GLU 13 HB2 GLU 13 1.628 -12.991 7.301 109 2HB GLU 13 HB1 GLU 13 0.379 -14.058 7.914 110 1HG GLU 13 HG2 GLU 13 2.862 -14.995 6.457 111 2HG GLU 13 HG1 GLU 13 2.670 -15.000 8.211 112 H ALA 14 HN ALA 14 0.661 -11.463 5.297 113 HA ALA 14 HA ALA 14 -1.898 -10.631 6.304 114 1HB ALA 14 HB3 ALA 14 0.287 -9.238 5.903 115 2HB ALA 14 HB2 ALA 14 -0.347 -9.030 4.273 116 3HB ALA 14 HB1 ALA 14 -1.276 -8.459 5.662 117 H LEU 15 HN LEU 15 -0.663 -11.274 3.026 118 HA LEU 15 HA LEU 15 -3.031 -10.523 1.640 119 1HB LEU 15 HB2 LEU 15 -0.926 -12.606 0.996 120 2HB LEU 15 HB1 LEU 15 -2.214 -12.154 -0.121 121 HG LEU 15 HG LEU 15 -0.293 -10.142 1.079 122 1HD1 LEU 15 HD11 LEU 15 -0.090 -11.757 -1.471 123 2HD1 LEU 15 HD13 LEU 15 0.790 -10.252 -1.227 124 3HD1 LEU 15 HD12 LEU 15 1.099 -11.627 -0.171 125 1HD2 LEU 15 HD22 LEU 15 -2.397 -10.078 -1.083 126 2HD2 LEU 15 HD21 LEU 15 -2.102 -8.926 0.217 127 3HD2 LEU 15 HD23 LEU 15 -1.025 -8.979 -1.175 128 H ASP 16 HN ASP 16 -2.018 -13.564 3.172 129 HA ASP 16 HA ASP 16 -4.327 -15.070 2.342 130 1HB ASP 16 HB2 ASP 16 -2.093 -15.982 3.226 131 2HB ASP 16 HB1 ASP 16 -2.705 -15.602 4.838 132 H ALA 17 HN ALA 17 -3.598 -13.037 5.131 133 HA ALA 17 HA ALA 17 -5.880 -13.784 6.711 134 1HB ALA 17 HB3 ALA 17 -3.796 -12.547 7.498 135 2HB ALA 17 HB2 ALA 17 -4.487 -11.103 6.758 136 3HB ALA 17 HB1 ALA 17 -5.330 -11.900 8.083 137 H ALA 18 HN ALA 18 -5.379 -11.303 4.237 138 HA ALA 18 HA ALA 18 -7.836 -9.886 4.651 139 1HB ALA 18 HB2 ALA 18 -6.056 -10.257 2.237 140 2HB ALA 18 HB1 ALA 18 -7.506 -9.256 2.183 141 3HB ALA 18 HB3 ALA 18 -6.185 -8.840 3.276 142 H GLY 19 HN GLY 19 -7.022 -12.825 2.939 143 1HA GLY 19 HA2 GLY 19 -8.411 -14.481 2.039 144 2HA GLY 19 HA1 GLY 19 -9.763 -13.695 2.863 145 H ASP 20 HN ASP 20 -11.303 -13.174 1.388 146 HA ASP 20 HA ASP 20 -10.527 -12.532 -1.393 147 1HB ASP 20 HB2 ASP 20 -13.258 -12.851 -0.115 148 2HB ASP 20 HB1 ASP 20 -12.952 -12.632 -1.839 149 H LYS 21 HN LYS 21 -10.710 -10.712 1.343 150 HA LYS 21 HA LYS 21 -12.318 -8.477 0.382 151 1HB LYS 21 HB2 LYS 21 -10.191 -8.643 2.547 152 2HB LYS 21 HB1 LYS 21 -11.187 -7.223 2.239 153 1HG LYS 21 HG2 LYS 21 -13.201 -8.853 2.543 154 2HG LYS 21 HG1 LYS 21 -12.020 -9.917 3.313 155 1HD LYS 21 HD2 LYS 21 -11.376 -7.904 4.765 156 2HD LYS 21 HD1 LYS 21 -12.842 -7.129 4.160 157 1HE LYS 21 HE2 LYS 21 -14.163 -9.079 4.965 158 2HE LYS 21 HE1 LYS 21 -12.689 -9.761 5.649 159 1HZ LYS 21 HZ2 LYS 21 -13.366 -7.011 6.355 160 2HZ LYS 21 HZ1 LYS 21 -14.291 -8.248 7.058 161 3HZ LYS 21 HZ3 LYS 21 -12.610 -8.213 7.286 162 H LEU 22 HN LEU 22 -11.485 -6.472 -0.508 163 HA LEU 22 HA LEU 22 -9.296 -6.694 -2.303 164 1HB LEU 22 HB2 LEU 22 -11.293 -4.846 -1.851 165 2HB LEU 22 HB1 LEU 22 -9.896 -3.975 -1.251 166 HG LEU 22 HG LEU 22 -10.280 -5.114 -4.028 167 1HD1 LEU 22 HD12 LEU 22 -10.696 -2.464 -2.797 168 2HD1 LEU 22 HD11 LEU 22 -9.623 -2.388 -4.191 169 3HD1 LEU 22 HD13 LEU 22 -11.236 -3.078 -4.353 170 1HD2 LEU 22 HD21 LEU 22 -7.834 -3.961 -2.675 171 2HD2 LEU 22 HD23 LEU 22 -7.958 -5.416 -3.664 172 3HD2 LEU 22 HD22 LEU 22 -8.040 -3.831 -4.415 173 H VAL 23 HN VAL 23 -7.161 -5.538 -2.083 174 HA VAL 23 HA VAL 23 -6.305 -4.940 0.686 175 HB VAL 23 HB VAL 23 -4.945 -6.996 -1.091 176 1HG1 VAL 23 HG12 VAL 23 -4.215 -5.732 1.555 177 2HG1 VAL 23 HG11 VAL 23 -3.559 -7.291 1.057 178 3HG1 VAL 23 HG13 VAL 23 -3.239 -5.852 0.091 179 1HG2 VAL 23 HG23 VAL 23 -6.508 -7.242 1.488 180 2HG2 VAL 23 HG22 VAL 23 -6.888 -7.976 -0.066 181 3HG2 VAL 23 HG21 VAL 23 -5.479 -8.516 0.840 182 H VAL 24 HN VAL 24 -5.281 -3.025 0.489 183 HA VAL 24 HA VAL 24 -3.887 -2.395 -2.087 184 HB VAL 24 HB VAL 24 -4.772 -0.502 0.123 185 1HG1 VAL 24 HG11 VAL 24 -2.850 0.271 -1.255 186 2HG1 VAL 24 HG13 VAL 24 -3.806 0.014 -2.712 187 3HG1 VAL 24 HG12 VAL 24 -4.294 1.241 -1.546 188 1HG2 VAL 24 HG22 VAL 24 -6.058 -1.339 -2.483 189 2HG2 VAL 24 HG21 VAL 24 -6.765 -1.353 -0.867 190 3HG2 VAL 24 HG23 VAL 24 -6.463 0.179 -1.686 191 H VAL 25 HN VAL 25 -1.677 -1.850 -1.989 192 HA VAL 25 HA VAL 25 -0.386 -2.021 0.722 193 HB VAL 25 HB VAL 25 0.744 -3.051 -1.902 194 1HG1 VAL 25 HG12 VAL 25 2.408 -2.265 -0.221 195 2HG1 VAL 25 HG11 VAL 25 1.691 -3.362 0.954 196 3HG1 VAL 25 HG13 VAL 25 2.488 -4.008 -0.477 197 1HG2 VAL 25 HG23 VAL 25 -1.229 -4.354 -0.964 198 2HG2 VAL 25 HG22 VAL 25 0.271 -5.271 -1.090 199 3HG2 VAL 25 HG21 VAL 25 -0.253 -4.649 0.476 200 H ASP 26 HN ASP 26 0.566 -0.139 1.210 201 HA ASP 26 HA ASP 26 1.263 1.750 -0.990 202 1HB ASP 26 HB2 ASP 26 -0.137 2.590 0.836 203 2HB ASP 26 HB1 ASP 26 1.106 2.146 2.007 204 H PHE 27 HN PHE 27 3.330 1.440 -1.729 205 HA PHE 27 HA PHE 27 5.504 0.762 0.199 206 1HB PHE 27 HB2 PHE 27 5.451 1.149 -2.824 207 2HB PHE 27 HB1 PHE 27 6.929 0.871 -1.909 208 HD1 PHE 27 HD1 PHE 27 7.307 -1.267 -0.741 209 HD2 PHE 27 HD2 PHE 27 3.873 -0.637 -3.243 210 HE1 PHE 27 HE1 PHE 27 6.929 -3.716 -0.841 211 HE2 PHE 27 HE2 PHE 27 3.493 -3.086 -3.333 212 HZ PHE 27 HZ PHE 27 5.019 -4.626 -2.135 213 H SER 28 HN SER 28 5.846 2.615 1.379 214 HA SER 28 HA SER 28 6.593 5.101 -0.136 215 1HB SER 28 HB2 SER 28 5.075 4.939 2.498 216 2HB SER 28 HB1 SER 28 5.597 6.422 1.701 217 HG SER 28 HG SER 28 3.861 4.461 0.588 218 H ALA 29 HN ALA 29 8.425 6.168 0.738 219 HA ALA 29 HA ALA 29 10.054 4.485 2.530 220 1HB ALA 29 HB2 ALA 29 10.502 6.799 0.713 221 2HB ALA 29 HB1 ALA 29 11.508 6.802 2.158 222 3HB ALA 29 HB3 ALA 29 11.558 5.431 1.048 223 H THR 30 HN THR 30 9.965 4.733 4.698 224 HA THR 30 HA THR 30 8.327 6.732 5.933 225 HB THR 30 HB THR 30 8.871 4.589 7.034 226 HG1 THR 30 HG1 THR 30 8.586 5.647 8.795 227 1HG2 THR 30 HG21 THR 30 11.184 4.373 6.200 228 2HG2 THR 30 HG23 THR 30 11.678 5.708 7.242 229 3HG2 THR 30 HG22 THR 30 11.110 4.198 7.954 230 H TRP 31 HN TRP 31 11.691 6.588 4.999 231 HA TRP 31 HA TRP 31 12.459 8.964 6.526 232 1HB TRP 31 HB2 TRP 31 14.561 8.809 5.272 233 2HB TRP 31 HB1 TRP 31 14.100 7.236 5.923 234 HD1 TRP 31 HD1 TRP 31 13.404 5.361 4.258 235 HE1 TRP 31 HE1 TRP 31 13.641 5.086 1.706 236 HE3 TRP 31 HE3 TRP 31 14.393 10.189 2.942 237 HZ2 TRP 31 HZ2 TRP 31 14.138 6.699 -0.585 238 HZ3 TRP 31 HZ3 TRP 31 14.715 10.794 0.560 239 HH2 TRP 31 HH2 TRP 31 14.586 9.056 -1.203 240 H CYS 32 HN CYS 32 10.748 8.527 3.585 241 HA CYS 32 HA CYS 32 11.745 11.049 2.404 242 1HB CYS 32 HB2 CYS 32 11.123 9.034 1.011 243 2HB CYS 32 HB1 CYS 32 9.451 9.294 1.474 244 H GLY 33 HN GLY 33 11.010 12.900 3.161 245 1HA GLY 33 HA2 GLY 33 8.858 13.203 4.967 246 2HA GLY 33 HA1 GLY 33 9.611 14.519 4.074 247 HA PRO 34 HA PRO 34 6.155 14.947 1.398 248 1HB PRO 34 HB2 PRO 34 6.879 13.885 -1.133 249 2HB PRO 34 HB1 PRO 34 7.079 15.553 -0.584 250 1HG PRO 34 HG2 PRO 34 9.116 13.441 -0.890 251 2HG PRO 34 HG1 PRO 34 9.329 15.192 -0.776 252 1HD PRO 34 HD2 PRO 34 9.932 13.339 1.251 253 2HD PRO 34 HD1 PRO 34 9.762 15.088 1.490 254 H ALA 35 HN ALA 35 7.459 11.655 1.230 255 HA ALA 35 HA ALA 35 4.960 10.507 0.254 256 1HB ALA 35 HB3 ALA 35 7.307 9.494 0.026 257 2HB ALA 35 HB2 ALA 35 7.141 9.009 1.711 258 3HB ALA 35 HB1 ALA 35 6.015 8.394 0.501 259 H LYS 36 HN LYS 36 6.587 10.614 3.422 260 HA LYS 36 HA LYS 36 4.600 9.219 4.905 261 1HB LYS 36 HB2 LYS 36 6.917 9.871 5.691 262 2HB LYS 36 HB1 LYS 36 6.296 11.510 5.918 263 1HG LYS 36 HG2 LYS 36 4.503 10.561 7.396 264 2HG LYS 36 HG1 LYS 36 5.298 8.990 7.273 265 1HD LYS 36 HD2 LYS 36 7.339 9.915 8.258 266 2HD LYS 36 HD1 LYS 36 6.608 11.519 8.315 267 1HE LYS 36 HE2 LYS 36 4.852 10.658 9.833 268 2HE LYS 36 HE1 LYS 36 5.604 9.063 9.787 269 1HZ LYS 36 HZ2 LYS 36 7.164 11.441 10.565 270 2HZ LYS 36 HZ1 LYS 36 6.189 10.640 11.703 271 3HZ LYS 36 HZ3 LYS 36 7.450 9.807 10.934 272 H MET 37 HN MET 37 4.828 12.558 3.846 273 HA MET 37 HA MET 37 2.813 13.700 5.493 274 1HB MET 37 HB2 MET 37 4.372 15.010 4.066 275 2HB MET 37 HB1 MET 37 3.519 14.438 2.639 276 1HG MET 37 HG2 MET 37 2.049 15.842 4.871 277 2HG MET 37 HG1 MET 37 2.854 16.757 3.598 278 1HE MET 37 HE2 MET 37 2.690 16.390 1.310 279 2HE MET 37 HE1 MET 37 2.148 14.802 0.785 280 3HE MET 37 HE3 MET 37 1.154 16.228 0.465 281 H ILE 38 HN ILE 38 2.623 11.718 2.624 282 HA ILE 38 HA ILE 38 -0.212 12.254 2.189 283 HB ILE 38 HB ILE 38 1.392 9.969 1.016 284 1HG1 ILE 38 HG12 ILE 38 1.062 12.693 -0.287 285 2HG1 ILE 38 HG11 ILE 38 2.467 12.312 0.708 286 1HG2 ILE 38 HG22 ILE 38 -1.141 11.432 0.257 287 2HG2 ILE 38 HG21 ILE 38 -0.240 10.467 -0.906 288 3HG2 ILE 38 HG23 ILE 38 -0.906 9.710 0.535 289 1HD1 ILE 38 HD11 ILE 38 2.824 10.269 -0.738 290 2HD1 ILE 38 HD13 ILE 38 1.579 10.899 -1.812 291 3HD1 ILE 38 HD12 ILE 38 3.071 11.805 -1.551 292 H LYS 39 HN LYS 39 1.389 10.314 4.481 293 HA LYS 39 HA LYS 39 -0.156 7.949 4.335 294 1HB LYS 39 HB2 LYS 39 0.595 7.346 6.471 295 2HB LYS 39 HB1 LYS 39 1.890 8.332 5.822 296 1HG LYS 39 HG2 LYS 39 1.399 10.144 7.256 297 2HG LYS 39 HG1 LYS 39 -0.236 9.586 7.593 298 1HD LYS 39 HD2 LYS 39 2.294 8.175 8.487 299 2HD LYS 39 HD1 LYS 39 1.322 9.241 9.501 300 1HE LYS 39 HE2 LYS 39 0.306 7.271 10.111 301 2HE LYS 39 HE1 LYS 39 -0.614 7.523 8.630 302 1HZ LYS 39 HZ2 LYS 39 1.958 6.222 8.311 303 2HZ LYS 39 HZ1 LYS 39 0.782 5.323 9.149 304 3HZ LYS 39 HZ3 LYS 39 0.462 5.881 7.578 305 HA PRO 40 HA PRO 40 -3.304 10.073 7.383 306 1HB PRO 40 HB2 PRO 40 -3.729 12.602 5.879 307 2HB PRO 40 HB1 PRO 40 -3.598 12.343 7.631 308 1HG PRO 40 HG2 PRO 40 -1.634 13.546 6.220 309 2HG PRO 40 HG1 PRO 40 -1.281 12.507 7.610 310 1HD PRO 40 HD2 PRO 40 -1.037 11.905 4.700 311 2HD PRO 40 HD1 PRO 40 0.013 11.375 6.029 312 H PHE 41 HN PHE 41 -3.371 10.854 3.875 313 HA PHE 41 HA PHE 41 -6.216 10.355 3.643 314 1HB PHE 41 HB2 PHE 41 -3.941 10.460 1.657 315 2HB PHE 41 HB1 PHE 41 -5.571 10.030 1.172 316 HD1 PHE 41 HD2 PHE 41 -3.569 12.693 2.826 317 HD2 PHE 41 HD1 PHE 41 -7.219 11.670 0.806 318 HE1 PHE 41 HE2 PHE 41 -4.160 15.100 2.676 319 HE2 PHE 41 HE1 PHE 41 -7.812 14.075 0.654 320 HZ PHE 41 HZ PHE 41 -6.280 15.789 1.587 321 H PHE 42 HN PHE 42 -3.306 8.440 2.906 322 HA PHE 42 HA PHE 42 -4.674 6.078 2.074 323 1HB PHE 42 HB2 PHE 42 -2.294 6.469 1.624 324 2HB PHE 42 HB1 PHE 42 -1.936 6.404 3.357 325 HD1 PHE 42 HD1 PHE 42 -3.135 4.385 0.448 326 HD2 PHE 42 HD2 PHE 42 -1.770 4.353 4.515 327 HE1 PHE 42 HE1 PHE 42 -2.975 1.911 0.376 328 HE2 PHE 42 HE2 PHE 42 -1.608 1.885 4.446 329 HZ PHE 42 HZ PHE 42 -2.211 0.658 2.377 330 H HIS 43 HN HIS 43 -3.331 6.971 5.230 331 HA HIS 43 HA HIS 43 -4.325 4.692 6.659 332 1HB HIS 43 HB2 HIS 43 -2.438 6.043 7.420 333 2HB HIS 43 HB1 HIS 43 -3.488 7.445 7.604 334 HD1 HIS 43 HD1 HIS 43 -2.523 4.240 9.232 335 HD2 HIS 43 HD2 HIS 43 -5.307 7.280 9.794 336 HE1 HIS 43 HE1 HIS 43 -3.534 3.869 11.528 337 H SER 44 HN SER 44 -5.657 7.975 6.178 338 HA SER 44 HA SER 44 -7.823 7.664 8.013 339 1HB SER 44 HB2 SER 44 -7.620 9.405 5.544 340 2HB SER 44 HB1 SER 44 -8.920 9.503 6.724 341 HG SER 44 HG SER 44 -7.617 10.724 7.813 342 H LEU 45 HN LEU 45 -7.545 6.892 4.567 343 HA LEU 45 HA LEU 45 -10.259 6.295 4.058 344 1HB LEU 45 HB2 LEU 45 -7.722 5.219 2.848 345 2HB LEU 45 HB1 LEU 45 -9.308 4.819 2.214 346 HG LEU 45 HG LEU 45 -8.493 7.705 2.627 347 1HD1 LEU 45 HD11 LEU 45 -6.760 6.664 1.204 348 2HD1 LEU 45 HD13 LEU 45 -8.018 6.030 0.143 349 3HD1 LEU 45 HD12 LEU 45 -7.767 7.770 0.270 350 1HD2 LEU 45 HD21 LEU 45 -10.548 6.258 0.945 351 2HD2 LEU 45 HD23 LEU 45 -10.816 7.491 2.174 352 3HD2 LEU 45 HD22 LEU 45 -10.093 7.928 0.630 353 H SER 46 HN SER 46 -7.820 4.408 5.699 354 HA SER 46 HA SER 46 -8.824 1.803 5.485 355 1HB SER 46 HB2 SER 46 -7.797 3.187 7.977 356 2HB SER 46 HB1 SER 46 -7.926 1.442 7.771 357 HG SER 46 HG SER 46 -6.024 3.165 6.894 358 H GLU 47 HN GLU 47 -10.012 4.486 7.456 359 HA GLU 47 HA GLU 47 -12.139 2.773 8.598 360 1HB GLU 47 HB2 GLU 47 -11.465 5.724 8.925 361 2HB GLU 47 HB1 GLU 47 -12.842 4.938 9.698 362 1HG GLU 47 HG2 GLU 47 -11.064 4.890 11.302 363 2HG GLU 47 HG1 GLU 47 -11.193 3.254 10.660 364 H LYS 48 HN LYS 48 -11.635 4.804 5.846 365 HA LYS 48 HA LYS 48 -14.461 5.502 5.526 366 1HB LYS 48 HB2 LYS 48 -12.597 6.870 4.500 367 2HB LYS 48 HB1 LYS 48 -12.306 5.524 3.394 368 1HG LYS 48 HG2 LYS 48 -14.669 5.658 2.641 369 2HG LYS 48 HG1 LYS 48 -14.894 7.067 3.676 370 1HD LYS 48 HD2 LYS 48 -13.099 8.246 2.443 371 2HD LYS 48 HD1 LYS 48 -12.913 6.840 1.393 372 1HE LYS 48 HE2 LYS 48 -15.291 7.075 0.702 373 2HE LYS 48 HE1 LYS 48 -15.416 8.525 1.694 374 1HZ LYS 48 HZ1 LYS 48 -13.200 8.994 0.226 375 2HZ LYS 48 HZ3 LYS 48 -14.183 8.165 -0.881 376 3HZ LYS 48 HZ2 LYS 48 -14.754 9.583 -0.136 377 H TYR 49 HN TYR 49 -12.218 3.044 4.431 378 HA TYR 49 HA TYR 49 -14.528 1.452 3.348 379 1HB TYR 49 HB2 TYR 49 -11.660 1.531 2.326 380 2HB TYR 49 HB1 TYR 49 -12.902 0.413 1.762 381 HD1 TYR 49 HD2 TYR 49 -15.139 1.508 0.916 382 HD2 TYR 49 HD1 TYR 49 -11.397 3.593 1.234 383 HE1 TYR 49 HE2 TYR 49 -15.950 3.212 -0.692 384 HE2 TYR 49 HE1 TYR 49 -12.211 5.294 -0.374 385 HH TYR 49 HH TYR 49 -14.777 6.115 -1.050 386 H SER 50 HN SER 50 -14.417 0.943 5.754 387 HA SER 50 HA SER 50 -12.242 -0.561 6.842 388 1HB SER 50 HB2 SER 50 -13.757 -1.067 8.637 389 2HB SER 50 HB1 SER 50 -14.106 0.571 8.123 390 HG SER 50 HG SER 50 -15.567 -0.946 6.599 391 H ASN 51 HN ASN 51 -14.453 -1.295 4.417 392 HA ASN 51 HA ASN 51 -14.486 -4.209 4.947 393 1HB ASN 51 HB2 ASN 51 -16.474 -2.884 3.966 394 2HB ASN 51 HB1 ASN 51 -15.535 -2.816 2.473 395 1HD2 ASN 51 HD22 ASN 51 -16.438 -6.096 1.553 396 2HD2 ASN 51 HD21 ASN 51 -15.838 -4.580 1.080 397 H VAL 52 HN VAL 52 -12.207 -2.221 4.008 398 HA VAL 52 HA VAL 52 -11.040 -4.091 1.992 399 HB VAL 52 HB VAL 52 -10.979 -1.060 2.026 400 1HG1 VAL 52 HG12 VAL 52 -9.138 -3.044 0.707 401 2HG1 VAL 52 HG11 VAL 52 -9.499 -1.521 -0.107 402 3HG1 VAL 52 HG13 VAL 52 -8.749 -1.517 1.487 403 1HG2 VAL 52 HG21 VAL 52 -11.879 -3.137 0.011 404 2HG2 VAL 52 HG23 VAL 52 -12.900 -1.993 0.881 405 3HG2 VAL 52 HG22 VAL 52 -11.764 -1.416 -0.340 406 H ILE 53 HN ILE 53 -8.759 -4.493 2.337 407 HA ILE 53 HA ILE 53 -7.814 -3.640 5.059 408 HB ILE 53 HB ILE 53 -6.615 -5.733 3.233 409 1HG1 ILE 53 HG12 ILE 53 -8.912 -6.386 3.612 410 2HG1 ILE 53 HG11 ILE 53 -7.905 -7.361 4.674 411 1HG2 ILE 53 HG22 ILE 53 -5.388 -4.705 5.306 412 2HG2 ILE 53 HG21 ILE 53 -6.515 -5.674 6.248 413 3HG2 ILE 53 HG23 ILE 53 -5.415 -6.456 5.115 414 1HD1 ILE 53 HD13 ILE 53 -8.355 -5.536 6.454 415 2HD1 ILE 53 HD12 ILE 53 -9.657 -5.008 5.388 416 3HD1 ILE 53 HD11 ILE 53 -9.677 -6.637 6.063 417 H PHE 54 HN PHE 54 -6.361 -1.986 5.151 418 HA PHE 54 HA PHE 54 -4.761 -1.316 2.703 419 1HB PHE 54 HB2 PHE 54 -5.385 0.283 5.206 420 2HB PHE 54 HB1 PHE 54 -4.299 0.836 3.934 421 HD1 PHE 54 HD1 PHE 54 -7.782 -0.367 4.525 422 HD2 PHE 54 HD2 PHE 54 -5.176 1.985 2.046 423 HE1 PHE 54 HE1 PHE 54 -9.746 0.514 3.292 424 HE2 PHE 54 HE2 PHE 54 -7.149 2.853 0.800 425 HZ PHE 54 HZ PHE 54 -9.425 2.115 1.430 426 H LEU 55 HN LEU 55 -2.630 -1.888 2.693 427 HA LEU 55 HA LEU 55 -1.251 -2.426 5.305 428 1HB LEU 55 HB2 LEU 55 -0.672 -3.491 2.521 429 2HB LEU 55 HB1 LEU 55 0.445 -3.673 3.870 430 HG LEU 55 HG LEU 55 -1.106 -5.061 5.066 431 1HD1 LEU 55 HD13 LEU 55 -3.097 -4.124 3.007 432 2HD1 LEU 55 HD12 LEU 55 -3.351 -5.621 3.906 433 3HD1 LEU 55 HD11 LEU 55 -3.216 -4.098 4.767 434 1HD2 LEU 55 HD21 LEU 55 0.158 -5.994 3.030 435 2HD2 LEU 55 HD23 LEU 55 -1.204 -6.946 3.619 436 3HD2 LEU 55 HD22 LEU 55 -1.388 -5.934 2.187 437 H GLU 56 HN GLU 56 0.675 -1.415 5.717 438 HA GLU 56 HA GLU 56 1.569 0.688 3.772 439 1HB GLU 56 HB2 GLU 56 0.692 1.511 6.003 440 2HB GLU 56 HB1 GLU 56 2.009 0.628 6.776 441 1HG GLU 56 HG2 GLU 56 3.632 1.909 5.355 442 2HG GLU 56 HG1 GLU 56 2.285 2.868 4.749 443 H VAL 57 HN VAL 57 3.638 0.380 2.989 444 HA VAL 57 HA VAL 57 5.351 -1.646 4.412 445 HB VAL 57 HB VAL 57 5.091 -1.223 1.426 446 1HG1 VAL 57 HG12 VAL 57 6.590 -3.223 3.134 447 2HG1 VAL 57 HG11 VAL 57 6.389 -3.368 1.393 448 3HG1 VAL 57 HG13 VAL 57 7.298 -2.012 2.061 449 1HG2 VAL 57 HG23 VAL 57 4.056 -3.427 3.239 450 2HG2 VAL 57 HG22 VAL 57 3.067 -2.222 2.419 451 3HG2 VAL 57 HG21 VAL 57 3.956 -3.422 1.478 452 H ASP 58 HN ASP 58 7.398 -1.062 4.814 453 HA ASP 58 HA ASP 58 8.365 1.618 3.903 454 1HB ASP 58 HB2 ASP 58 8.351 0.893 6.361 455 2HB ASP 58 HB1 ASP 58 9.603 -0.277 5.912 456 H VAL 59 HN VAL 59 9.723 1.560 2.145 457 HA VAL 59 HA VAL 59 10.844 -0.918 1.166 458 HB VAL 59 HB VAL 59 12.047 0.518 -0.425 459 1HG1 VAL 59 HG11 VAL 59 9.640 -0.005 -0.757 460 2HG1 VAL 59 HG13 VAL 59 9.217 1.468 0.110 461 3HG1 VAL 59 HG12 VAL 59 10.065 1.569 -1.430 462 1HG2 VAL 59 HG23 VAL 59 11.010 2.759 1.331 463 2HG2 VAL 59 HG22 VAL 59 12.698 2.340 1.053 464 3HG2 VAL 59 HG21 VAL 59 11.727 2.997 -0.261 465 H ASP 60 HN ASP 60 11.785 1.369 3.556 466 HA ASP 60 HA ASP 60 14.641 0.589 3.416 467 1HB ASP 60 HB2 ASP 60 13.043 2.603 4.979 468 2HB ASP 60 HB1 ASP 60 14.684 2.205 5.445 469 H ASP 61 HN ASP 61 11.865 0.196 5.647 470 HA ASP 61 HA ASP 61 13.552 -1.604 7.346 471 1HB ASP 61 HB2 ASP 61 10.750 -0.508 7.805 472 2HB ASP 61 HB1 ASP 61 11.622 -1.550 8.919 473 H ALA 62 HN ALA 62 11.359 -1.617 4.809 474 HA ALA 62 HA ALA 62 10.852 -4.543 5.138 475 1HB ALA 62 HB1 ALA 62 8.874 -2.625 5.262 476 2HB ALA 62 HB3 ALA 62 8.849 -3.032 3.548 477 3HB ALA 62 HB2 ALA 62 8.601 -4.290 4.758 478 H GLN 63 HN GLN 63 13.030 -3.328 3.891 479 HA GLN 63 HA GLN 63 12.758 -2.860 1.111 480 1HB GLN 63 HB2 GLN 63 15.151 -3.182 0.995 481 2HB GLN 63 HB1 GLN 63 14.795 -2.394 2.533 482 1HG GLN 63 HG2 GLN 63 14.805 -4.670 3.618 483 2HG GLN 63 HG1 GLN 63 15.378 -5.336 2.088 484 1HE2 GLN 63 HE22 GLN 63 18.052 -3.735 4.567 485 2HE2 GLN 63 HE21 GLN 63 16.484 -4.192 5.028 486 H ASP 64 HN ASP 64 12.836 -5.841 2.944 487 HA ASP 64 HA ASP 64 13.435 -7.590 0.759 488 1HB ASP 64 HB2 ASP 64 12.310 -9.331 2.214 489 2HB ASP 64 HB1 ASP 64 13.602 -8.434 3.008 490 H VAL 65 HN VAL 65 10.396 -6.224 2.012 491 HA VAL 65 HA VAL 65 8.670 -7.773 0.297 492 HB VAL 65 HB VAL 65 8.081 -4.990 1.341 493 1HG1 VAL 65 HG12 VAL 65 6.466 -6.051 -0.213 494 2HG1 VAL 65 HG11 VAL 65 6.319 -7.414 0.897 495 3HG1 VAL 65 HG13 VAL 65 5.783 -5.808 1.395 496 1HG2 VAL 65 HG22 VAL 65 8.192 -7.611 2.822 497 2HG2 VAL 65 HG21 VAL 65 8.869 -6.059 3.285 498 3HG2 VAL 65 HG23 VAL 65 7.127 -6.313 3.351 499 H ALA 66 HN ALA 66 10.073 -4.529 0.086 500 HA ALA 66 HA ALA 66 8.878 -3.879 -2.447 501 1HB ALA 66 HB3 ALA 66 9.896 -2.334 -0.604 502 2HB ALA 66 HB2 ALA 66 11.421 -2.621 -1.444 503 3HB ALA 66 HB1 ALA 66 10.068 -1.873 -2.298 504 H SER 67 HN SER 67 12.046 -5.218 -1.516 505 HA SER 67 HA SER 67 13.258 -5.053 -4.091 506 1HB SER 67 HB2 SER 67 14.817 -6.754 -3.286 507 2HB SER 67 HB1 SER 67 14.490 -5.604 -1.998 508 HG SER 67 HG SER 67 14.008 -8.261 -2.107 509 H GLU 68 HN GLU 68 11.112 -7.488 -2.691 510 HA GLU 68 HA GLU 68 11.387 -9.446 -4.749 511 1HB GLU 68 HB2 GLU 68 10.217 -9.761 -2.525 512 2HB GLU 68 HB1 GLU 68 8.868 -8.830 -3.175 513 1HG GLU 68 HG2 GLU 68 9.950 -11.274 -4.592 514 2HG GLU 68 HG1 GLU 68 8.700 -11.391 -3.359 515 H ALA 69 HN ALA 69 9.355 -6.561 -4.463 516 HA ALA 69 HA ALA 69 8.008 -7.139 -7.014 517 1HB ALA 69 HB3 ALA 69 7.804 -4.849 -5.056 518 2HB ALA 69 HB2 ALA 69 6.873 -4.936 -6.552 519 3HB ALA 69 HB1 ALA 69 6.645 -6.156 -5.298 520 H GLU 70 HN GLU 70 10.973 -5.853 -6.276 521 HA GLU 70 HA GLU 70 12.462 -4.488 -7.469 522 1HB GLU 70 HB2 GLU 70 10.563 -5.024 -9.774 523 2HB GLU 70 HB1 GLU 70 12.197 -4.390 -9.906 524 1HG GLU 70 HG2 GLU 70 11.540 -7.050 -8.646 525 2HG GLU 70 HG1 GLU 70 12.012 -6.854 -10.331 526 H VAL 71 HN VAL 71 10.800 -2.966 -5.941 527 HA VAL 71 HA VAL 71 9.200 -1.118 -7.460 528 HB VAL 71 HB VAL 71 10.613 -0.552 -4.830 529 1HG1 VAL 71 HG13 VAL 71 8.182 0.596 -6.242 530 2HG1 VAL 71 HG12 VAL 71 8.570 0.934 -4.558 531 3HG1 VAL 71 HG11 VAL 71 9.681 1.435 -5.839 532 1HG2 VAL 71 HG21 VAL 71 8.040 -2.027 -5.474 533 2HG2 VAL 71 HG23 VAL 71 9.370 -2.554 -4.445 534 3HG2 VAL 71 HG22 VAL 71 8.298 -1.264 -3.908 535 H LYS 72 HN LYS 72 9.821 0.591 -8.665 536 HA LYS 72 HA LYS 72 12.714 1.276 -8.725 537 1HB LYS 72 HB2 LYS 72 10.505 1.826 -10.717 538 2HB LYS 72 HB1 LYS 72 12.209 2.214 -10.945 539 1HG LYS 72 HG2 LYS 72 11.283 -0.619 -10.361 540 2HG LYS 72 HG1 LYS 72 11.359 0.017 -12.002 541 1HD LYS 72 HD2 LYS 72 13.797 0.620 -11.530 542 2HD LYS 72 HD1 LYS 72 13.650 -0.339 -10.057 543 1HE LYS 72 HE2 LYS 72 13.019 -2.306 -11.347 544 2HE LYS 72 HE1 LYS 72 13.043 -1.366 -12.839 545 1HZ LYS 72 HZ2 LYS 72 15.448 -1.364 -11.177 546 2HZ LYS 72 HZ1 LYS 72 15.105 -2.765 -12.071 547 3HZ LYS 72 HZ3 LYS 72 15.295 -1.282 -12.866 548 H ALA 73 HN ALA 73 9.723 2.453 -7.588 549 HA ALA 73 HA ALA 73 10.983 4.960 -6.814 550 1HB ALA 73 HB3 ALA 73 8.944 4.891 -9.023 551 2HB ALA 73 HB2 ALA 73 9.113 6.317 -7.996 552 3HB ALA 73 HB1 ALA 73 10.478 5.759 -8.962 553 H THR 74 HN THR 74 9.710 6.178 -5.326 554 HA THR 74 HA THR 74 7.211 4.854 -4.321 555 HB THR 74 HB THR 74 7.962 5.219 -2.032 556 HG1 THR 74 HG1 THR 74 10.150 6.548 -3.226 557 1HG2 THR 74 HG23 THR 74 8.939 3.234 -3.185 558 2HG2 THR 74 HG22 THR 74 10.350 4.214 -3.574 559 3HG2 THR 74 HG21 THR 74 9.956 3.867 -1.892 560 HA PRO 75 HA PRO 75 5.845 5.560 -2.496 561 1HB PRO 75 HB2 PRO 75 3.303 6.659 -2.516 562 2HB PRO 75 HB1 PRO 75 4.557 7.063 -1.337 563 1HG PRO 75 HG2 PRO 75 3.559 8.662 -3.629 564 2HG PRO 75 HG1 PRO 75 4.319 9.201 -2.128 565 1HD PRO 75 HD2 PRO 75 5.573 9.034 -4.674 566 2HD PRO 75 HD1 PRO 75 6.395 9.289 -3.109 567 H THR 76 HN THR 76 4.834 3.710 -3.269 568 HA THR 76 HA THR 76 3.406 3.901 -5.902 569 HB THR 76 HB THR 76 5.307 1.690 -5.071 570 HG1 THR 76 HG1 THR 76 6.502 2.525 -6.841 571 1HG2 THR 76 HG22 THR 76 3.577 2.145 -7.506 572 2HG2 THR 76 HG21 THR 76 4.899 0.980 -7.468 573 3HG2 THR 76 HG23 THR 76 3.513 0.776 -6.393 574 H PHE 77 HN PHE 77 1.500 2.878 -5.942 575 HA PHE 77 HA PHE 77 0.684 1.358 -3.486 576 1HB PHE 77 HB2 PHE 77 -1.019 2.765 -5.580 577 2HB PHE 77 HB1 PHE 77 -1.614 1.972 -4.122 578 HD1 PHE 77 HD1 PHE 77 -1.092 2.898 -1.874 579 HD2 PHE 77 HD2 PHE 77 0.060 4.920 -5.489 580 HE1 PHE 77 HE1 PHE 77 -0.687 4.978 -0.584 581 HE2 PHE 77 HE2 PHE 77 0.465 7.002 -4.198 582 HZ PHE 77 HZ PHE 77 0.090 7.028 -1.744 583 H GLN 78 HN GLN 78 0.273 -0.787 -3.742 584 HA GLN 78 HA GLN 78 -0.221 -1.846 -6.503 585 1HB GLN 78 HB2 GLN 78 1.342 -3.091 -4.228 586 2HB GLN 78 HB1 GLN 78 0.815 -3.988 -5.652 587 1HG GLN 78 HG2 GLN 78 2.060 -2.418 -7.093 588 2HG GLN 78 HG1 GLN 78 2.623 -1.548 -5.666 589 1HE2 GLN 78 HE22 GLN 78 5.420 -3.772 -6.089 590 2HE2 GLN 78 HE21 GLN 78 4.855 -2.219 -6.476 591 H PHE 79 HN PHE 79 -1.928 -3.198 -6.693 592 HA PHE 79 HA PHE 79 -3.644 -3.534 -4.258 593 1HB PHE 79 HB2 PHE 79 -4.313 -3.484 -7.217 594 2HB PHE 79 HB1 PHE 79 -5.484 -3.845 -5.945 595 HD1 PHE 79 HD2 PHE 79 -3.105 -1.265 -7.181 596 HD2 PHE 79 HD1 PHE 79 -6.457 -2.107 -4.635 597 HE1 PHE 79 HE2 PHE 79 -3.375 1.156 -6.740 598 HE2 PHE 79 HE1 PHE 79 -6.728 0.317 -4.192 599 HZ PHE 79 HZ PHE 79 -5.190 1.950 -5.243 600 H PHE 80 HN PHE 80 -4.175 -5.516 -3.573 601 HA PHE 80 HA PHE 80 -3.500 -7.867 -5.279 602 1HB PHE 80 HB2 PHE 80 -3.003 -7.479 -2.327 603 2HB PHE 80 HB1 PHE 80 -2.957 -9.055 -3.113 604 HD1 PHE 80 HD2 PHE 80 -1.317 -5.727 -2.889 605 HD2 PHE 80 HD1 PHE 80 -1.186 -9.668 -4.615 606 HE1 PHE 80 HE2 PHE 80 1.021 -5.347 -3.602 607 HE2 PHE 80 HE1 PHE 80 1.153 -9.280 -5.325 608 HZ PHE 80 HZ PHE 80 2.257 -7.118 -4.819 609 H LYS 81 HN LYS 81 -4.931 -9.603 -5.134 610 HA LYS 81 HA LYS 81 -7.254 -9.353 -3.304 611 1HB LYS 81 HB2 LYS 81 -7.751 -8.197 -5.559 612 2HB LYS 81 HB1 LYS 81 -7.663 -9.808 -6.275 613 1HG LYS 81 HG2 LYS 81 -9.377 -10.564 -4.609 614 2HG LYS 81 HG1 LYS 81 -9.549 -8.896 -4.086 615 1HD LYS 81 HD2 LYS 81 -9.917 -9.765 -6.961 616 2HD LYS 81 HD1 LYS 81 -11.249 -9.677 -5.809 617 1HE LYS 81 HE2 LYS 81 -10.502 -7.247 -5.386 618 2HE LYS 81 HE1 LYS 81 -9.528 -7.420 -6.849 619 1HZ LYS 81 HZ1 LYS 81 -12.437 -7.987 -6.732 620 2HZ LYS 81 HZ3 LYS 81 -11.793 -6.492 -7.206 621 3HZ LYS 81 HZ2 LYS 81 -11.460 -7.888 -8.118 622 H LYS 82 HN LYS 82 -7.536 -11.353 -2.460 623 HA LYS 82 HA LYS 82 -7.344 -13.671 -2.174 624 1HB LYS 82 HB2 LYS 82 -7.533 -13.627 -5.217 625 2HB LYS 82 HB1 LYS 82 -7.596 -15.079 -4.231 626 1HG LYS 82 HG2 LYS 82 -9.551 -13.886 -2.994 627 2HG LYS 82 HG1 LYS 82 -9.601 -12.839 -4.409 628 1HD LYS 82 HD2 LYS 82 -9.792 -14.868 -5.856 629 2HD LYS 82 HD1 LYS 82 -9.883 -15.855 -4.400 630 1HE LYS 82 HE2 LYS 82 -12.143 -15.427 -5.193 631 2HE LYS 82 HE1 LYS 82 -11.891 -14.535 -3.693 632 1HZ LYS 82 HZ1 LYS 82 -11.045 -12.898 -5.764 633 2HZ LYS 82 HZ3 LYS 82 -12.540 -13.536 -6.242 634 3HZ LYS 82 HZ2 LYS 82 -12.408 -12.696 -4.772 635 H GLY 83 HN GLY 83 -4.958 -11.901 -2.580 636 1HA GLY 83 HA2 GLY 83 -2.645 -12.347 -2.407 637 2HA GLY 83 HA1 GLY 83 -2.975 -14.033 -2.802 638 H GLN 84 HN GLN 84 -4.452 -11.908 -4.992 639 HA GLN 84 HA GLN 84 -2.279 -12.383 -6.997 640 1HB GLN 84 HB2 GLN 84 -5.229 -11.910 -7.501 641 2HB GLN 84 HB1 GLN 84 -4.015 -12.323 -8.707 642 1HG GLN 84 HG2 GLN 84 -4.794 -14.092 -6.371 643 2HG GLN 84 HG1 GLN 84 -5.383 -14.288 -8.019 644 1HE2 GLN 84 HE22 GLN 84 -1.480 -15.220 -7.171 645 2HE2 GLN 84 HE21 GLN 84 -2.329 -14.154 -6.158 646 H LYS 85 HN LYS 85 -1.369 -10.638 -7.980 647 HA LYS 85 HA LYS 85 -2.199 -7.952 -7.130 648 1HB LYS 85 HB2 LYS 85 0.197 -8.574 -7.410 649 2HB LYS 85 HB1 LYS 85 -0.083 -8.774 -9.138 650 1HG LYS 85 HG2 LYS 85 -0.848 -6.387 -9.242 651 2HG LYS 85 HG1 LYS 85 -0.418 -6.212 -7.543 652 1HD LYS 85 HD2 LYS 85 1.598 -7.206 -9.560 653 2HD LYS 85 HD1 LYS 85 1.333 -5.479 -9.315 654 1HE LYS 85 HE2 LYS 85 1.772 -5.840 -6.861 655 2HE LYS 85 HE1 LYS 85 2.223 -7.498 -7.235 656 1HZ LYS 85 HZ3 LYS 85 3.484 -5.130 -8.497 657 2HZ LYS 85 HZ2 LYS 85 4.117 -5.921 -7.134 658 3HZ LYS 85 HZ1 LYS 85 3.984 -6.746 -8.613 659 H VAL 86 HN VAL 86 -3.778 -6.873 -8.176 660 HA VAL 86 HA VAL 86 -4.219 -7.451 -11.082 661 HB VAL 86 HB VAL 86 -6.619 -6.896 -10.656 662 1HG1 VAL 86 HG12 VAL 86 -5.615 -9.259 -10.594 663 2HG1 VAL 86 HG11 VAL 86 -5.702 -9.136 -8.837 664 3HG1 VAL 86 HG13 VAL 86 -7.175 -9.049 -9.801 665 1HG2 VAL 86 HG21 VAL 86 -6.129 -5.596 -8.531 666 2HG2 VAL 86 HG23 VAL 86 -7.447 -6.757 -8.398 667 3HG2 VAL 86 HG22 VAL 86 -5.863 -7.145 -7.734 668 H GLY 87 HN GLY 87 -2.789 -5.166 -9.326 669 1HA GLY 87 HA2 GLY 87 -3.229 -3.127 -11.278 670 2HA GLY 87 HA1 GLY 87 -4.252 -2.779 -9.890 671 H GLU 88 HN GLU 88 -2.079 -1.167 -10.871 672 HA GLU 88 HA GLU 88 -0.717 -0.657 -8.386 673 1HB GLU 88 HB2 GLU 88 0.727 -2.480 -9.039 674 2HB GLU 88 HB1 GLU 88 0.867 -1.841 -10.671 675 1HG GLU 88 HG2 GLU 88 2.100 0.103 -9.848 676 2HG GLU 88 HG1 GLU 88 1.862 -0.414 -8.182 677 H PHE 89 HN PHE 89 0.372 1.367 -8.415 678 HA PHE 89 HA PHE 89 0.828 2.753 -10.906 679 1HB PHE 89 HB2 PHE 89 -0.821 4.452 -10.849 680 2HB PHE 89 HB1 PHE 89 -1.692 2.937 -10.636 681 HD1 PHE 89 HD1 PHE 89 -0.317 5.885 -8.880 682 HD2 PHE 89 HD2 PHE 89 -2.946 2.507 -8.631 683 HE1 PHE 89 HE1 PHE 89 -1.294 6.812 -6.797 684 HE2 PHE 89 HE2 PHE 89 -3.926 3.427 -6.541 685 HZ PHE 89 HZ PHE 89 -3.107 5.584 -5.627 686 H SER 90 HN SER 90 1.748 4.941 -10.519 687 HA SER 90 HA SER 90 2.810 5.251 -7.722 688 1HB SER 90 HB2 SER 90 4.903 6.082 -8.724 689 2HB SER 90 HB1 SER 90 4.577 4.418 -9.216 690 HG SER 90 HG SER 90 5.081 5.536 -11.054 691 H GLY 91 HN GLY 91 3.490 7.454 -7.209 692 1HA GLY 91 HA2 GLY 91 3.520 9.843 -7.967 693 2HA GLY 91 HA1 GLY 91 1.970 9.539 -8.745 694 H ALA 92 HN ALA 92 2.919 11.331 -6.418 695 HA ALA 92 HA ALA 92 1.498 10.322 -4.090 696 1HB ALA 92 HB2 ALA 92 2.468 13.088 -4.860 697 2HB ALA 92 HB1 ALA 92 1.806 12.676 -3.277 698 3HB ALA 92 HB3 ALA 92 3.307 11.925 -3.832 699 H ASN 93 HN ASN 93 -0.450 9.859 -5.634 700 HA ASN 93 HA ASN 93 -2.303 12.218 -5.638 701 1HB ASN 93 HB2 ASN 93 -1.676 11.292 -7.902 702 2HB ASN 93 HB1 ASN 93 -2.432 9.776 -7.425 703 1HD2 ASN 93 HD22 ASN 93 -5.356 12.445 -6.994 704 2HD2 ASN 93 HD21 ASN 93 -4.109 12.200 -5.870 705 H LYS 94 HN LYS 94 -3.230 11.827 -3.596 706 HA LYS 94 HA LYS 94 -3.990 9.211 -2.635 707 1HB LYS 94 HB2 LYS 94 -5.316 10.551 -0.982 708 2HB LYS 94 HB1 LYS 94 -3.600 10.942 -1.050 709 1HG LYS 94 HG2 LYS 94 -5.212 12.554 -2.936 710 2HG LYS 94 HG1 LYS 94 -5.711 12.783 -1.269 711 1HD LYS 94 HD2 LYS 94 -3.314 13.217 -0.669 712 2HD LYS 94 HD1 LYS 94 -2.922 13.145 -2.391 713 1HE LYS 94 HE2 LYS 94 -4.565 14.969 -2.802 714 2HE LYS 94 HE1 LYS 94 -4.836 15.068 -1.054 715 1HZ LYS 94 HZ3 LYS 94 -2.253 15.278 -1.016 716 2HZ LYS 94 HZ2 LYS 94 -2.462 15.817 -2.615 717 3HZ LYS 94 HZ1 LYS 94 -3.218 16.642 -1.334 718 H GLU 95 HN GLU 95 -5.764 11.710 -4.447 719 HA GLU 95 HA GLU 95 -8.370 10.621 -4.050 720 1HB GLU 95 HB2 GLU 95 -7.202 12.149 -6.394 721 2HB GLU 95 HB1 GLU 95 -8.919 11.848 -6.162 722 1HG GLU 95 HG2 GLU 95 -7.177 13.296 -4.148 723 2HG GLU 95 HG1 GLU 95 -8.158 14.116 -5.361 724 H LYS 96 HN LYS 96 -5.728 9.795 -6.166 725 HA LYS 96 HA LYS 96 -7.066 8.171 -8.070 726 1HB LYS 96 HB2 LYS 96 -4.671 8.983 -8.089 727 2HB LYS 96 HB1 LYS 96 -4.304 7.715 -6.941 728 1HG LYS 96 HG2 LYS 96 -4.802 5.994 -8.482 729 2HG LYS 96 HG1 LYS 96 -5.637 7.096 -9.572 730 1HD LYS 96 HD2 LYS 96 -2.736 7.633 -8.952 731 2HD LYS 96 HD1 LYS 96 -3.126 6.327 -10.072 732 1HE LYS 96 HE2 LYS 96 -4.111 9.181 -10.343 733 2HE LYS 96 HE1 LYS 96 -2.753 8.490 -11.235 734 1HZ LYS 96 HZ3 LYS 96 -4.912 6.748 -11.507 735 2HZ LYS 96 HZ2 LYS 96 -5.500 8.311 -11.809 736 3HZ LYS 96 HZ1 LYS 96 -4.192 7.709 -12.705 737 H LEU 97 HN LEU 97 -5.843 7.478 -4.830 738 HA LEU 97 HA LEU 97 -6.107 4.649 -4.835 739 1HB LEU 97 HB2 LEU 97 -6.388 6.746 -2.674 740 2HB LEU 97 HB1 LEU 97 -6.601 5.047 -2.313 741 HG LEU 97 HG LEU 97 -4.134 6.188 -3.631 742 1HD1 LEU 97 HD13 LEU 97 -4.772 5.636 -0.720 743 2HD1 LEU 97 HD12 LEU 97 -3.132 5.879 -1.323 744 3HD1 LEU 97 HD11 LEU 97 -4.314 7.175 -1.442 745 1HD2 LEU 97 HD22 LEU 97 -5.008 3.458 -2.721 746 2HD2 LEU 97 HD21 LEU 97 -3.983 3.919 -4.077 747 3HD2 LEU 97 HD23 LEU 97 -3.325 3.894 -2.448 748 H GLU 98 HN GLU 98 -8.391 7.250 -4.263 749 HA GLU 98 HA GLU 98 -10.570 5.657 -3.316 750 1HB GLU 98 HB2 GLU 98 -10.435 8.127 -3.138 751 2HB GLU 98 HB1 GLU 98 -10.676 8.255 -4.877 752 1HG GLU 98 HG2 GLU 98 -12.655 6.827 -3.082 753 2HG GLU 98 HG1 GLU 98 -12.754 8.559 -3.392 754 H ALA 99 HN ALA 99 -9.714 6.650 -6.638 755 HA ALA 99 HA ALA 99 -12.078 5.449 -7.785 756 1HB ALA 99 HB3 ALA 99 -10.735 7.229 -8.906 757 2HB ALA 99 HB2 ALA 99 -9.442 6.052 -9.154 758 3HB ALA 99 HB1 ALA 99 -11.004 5.825 -9.936 759 H THR 100 HN THR 100 -8.722 4.244 -7.467 760 HA THR 100 HA THR 100 -9.210 1.858 -8.961 761 HB THR 100 HB THR 100 -7.218 2.152 -6.693 762 HG1 THR 100 HG1 THR 100 -6.229 2.537 -9.153 763 1HG2 THR 100 HG22 THR 100 -7.323 0.472 -9.220 764 2HG2 THR 100 HG21 THR 100 -5.956 0.526 -8.099 765 3HG2 THR 100 HG23 THR 100 -7.516 -0.119 -7.570 766 H ILE 101 HN ILE 101 -9.546 2.540 -5.488 767 HA ILE 101 HA ILE 101 -10.127 -0.138 -4.632 768 HB ILE 101 HB ILE 101 -11.030 2.573 -3.596 769 1HG1 ILE 101 HG12 ILE 101 -9.060 0.674 -2.300 770 2HG1 ILE 101 HG11 ILE 101 -8.532 1.763 -3.586 771 1HG2 ILE 101 HG21 ILE 101 -11.477 -0.214 -2.501 772 2HG2 ILE 101 HG23 ILE 101 -11.455 1.199 -1.444 773 3HG2 ILE 101 HG22 ILE 101 -12.656 1.074 -2.729 774 1HD1 ILE 101 HD13 ILE 101 -9.505 3.677 -2.259 775 2HD1 ILE 101 HD12 ILE 101 -9.797 2.545 -0.941 776 3HD1 ILE 101 HD11 ILE 101 -8.150 2.874 -1.474 777 H ASN 102 HN ASN 102 -12.244 2.541 -5.627 778 HA ASN 102 HA ASN 102 -14.692 1.091 -5.471 779 1HB ASN 102 HB2 ASN 102 -14.494 3.582 -5.726 780 2HB ASN 102 HB1 ASN 102 -13.993 3.329 -7.399 781 1HD2 ASN 102 HD22 ASN 102 -17.898 3.374 -6.561 782 2HD2 ASN 102 HD21 ASN 102 -16.701 3.931 -5.495 783 H GLU 103 HN GLU 103 -12.213 1.339 -7.934 784 HA GLU 103 HA GLU 103 -13.662 0.088 -10.071 785 1HB GLU 103 HB2 GLU 103 -11.518 1.444 -10.226 786 2HB GLU 103 HB1 GLU 103 -10.674 0.022 -9.615 787 1HG GLU 103 HG2 GLU 103 -11.697 -1.315 -11.493 788 2HG GLU 103 HG1 GLU 103 -12.294 0.204 -12.164 789 H LEU 104 HN LEU 104 -11.532 -1.193 -7.520 790 HA LEU 104 HA LEU 104 -11.994 -3.963 -8.517 791 1HB LEU 104 HB2 LEU 104 -10.123 -2.894 -6.388 792 2HB LEU 104 HB1 LEU 104 -10.199 -4.570 -6.920 793 HG LEU 104 HG LEU 104 -9.537 -2.203 -8.702 794 1HD1 LEU 104 HD11 LEU 104 -7.807 -4.274 -7.335 795 2HD1 LEU 104 HD13 LEU 104 -7.243 -3.303 -8.694 796 3HD1 LEU 104 HD12 LEU 104 -7.712 -2.520 -7.184 797 1HD2 LEU 104 HD23 LEU 104 -9.838 -5.170 -9.160 798 2HD2 LEU 104 HD22 LEU 104 -10.386 -3.824 -10.167 799 3HD2 LEU 104 HD21 LEU 104 -8.681 -4.258 -10.133 800 H VAL 105 HN VAL 105 -13.447 -1.867 -6.292 801 HA VAL 105 HA VAL 105 -13.804 -3.664 -4.077 802 HB VAL 105 HB VAL 105 -14.343 -1.142 -4.116 803 1HG1 VAL 105 HG13 VAL 105 -15.871 -1.491 -6.186 804 2HG1 VAL 105 HG12 VAL 105 -17.074 -2.045 -5.024 805 3HG1 VAL 105 HG11 VAL 105 -16.434 -0.403 -4.918 806 1HG2 VAL 105 HG23 VAL 105 -16.360 -3.094 -2.976 807 2HG2 VAL 105 HG22 VAL 105 -14.868 -2.579 -2.198 808 3HG2 VAL 105 HG21 VAL 105 -16.170 -1.419 -2.459 809 HA PRO 59 HA PRO 106 13.914 14.725 -14.139 810 1HB PRO 59 HB2 PRO 106 16.220 13.549 -13.247 811 2HB PRO 59 HB1 PRO 106 16.081 14.306 -14.846 812 1HG PRO 59 HG2 PRO 106 17.280 15.401 -12.337 813 2HG PRO 59 HG1 PRO 106 17.866 15.512 -14.007 814 1HD PRO 59 HD2 PRO 106 16.536 17.565 -12.768 815 2HD PRO 59 HD1 PRO 106 16.469 17.295 -14.524 816 H ALA 60 HN ALA 107 14.850 16.225 -11.162 817 HA ALA 60 HA ALA 107 13.993 13.890 -9.535 818 1HB ALA 60 HB1 ALA 107 15.091 16.610 -8.754 819 2HB ALA 60 HB3 ALA 107 14.705 15.317 -7.619 820 3HB ALA 60 HB2 ALA 107 15.999 15.097 -8.800 821 H THR 61 HN THR 108 11.853 13.736 -9.039 822 HA THR 61 HA THR 108 10.198 16.245 -8.996 823 HB THR 61 HB THR 108 9.222 13.386 -9.243 824 HG1 THR 61 HG1 THR 108 10.635 14.600 -10.975 825 1HG2 THR 61 HG23 THR 108 7.641 15.157 -8.440 826 2HG2 THR 61 HG22 THR 108 7.927 16.029 -9.944 827 3HG2 THR 61 HG21 THR 108 7.165 14.439 -9.977 828 H LEU 62 HN LEU 109 9.386 16.858 -7.048 829 HA LEU 62 HA LEU 109 10.062 15.457 -4.632 830 1HB LEU 62 HB2 LEU 109 8.106 17.689 -5.209 831 2HB LEU 62 HB1 LEU 109 8.460 17.113 -3.582 832 HG LEU 62 HG LEU 109 10.588 18.086 -5.507 833 1HD1 LEU 62 HD13 LEU 109 8.999 19.891 -5.024 834 2HD1 LEU 62 HD12 LEU 109 9.163 19.587 -3.294 835 3HD1 LEU 62 HD11 LEU 109 10.538 20.192 -4.218 836 1HD2 LEU 62 HD21 LEU 109 10.536 17.279 -2.596 837 2HD2 LEU 62 HD23 LEU 109 11.697 16.841 -3.848 838 3HD2 LEU 62 HD22 LEU 109 11.722 18.457 -3.154 839 H LYS 63 HN LYS 110 7.258 15.422 -6.725 840 HA LYS 63 HA LYS 110 5.397 14.217 -4.921 841 1HB LYS 63 HB2 LYS 110 5.593 13.863 -7.930 842 2HB LYS 63 HB1 LYS 110 4.188 13.472 -6.944 843 1HG LYS 63 HG2 LYS 110 5.384 16.229 -7.366 844 2HG LYS 63 HG1 LYS 110 3.855 15.636 -8.011 845 1HD LYS 63 HD2 LYS 110 3.277 15.200 -5.468 846 2HD LYS 63 HD1 LYS 110 4.557 16.380 -5.178 847 1HE LYS 63 HE2 LYS 110 3.400 18.000 -6.645 848 2HE LYS 63 HE1 LYS 110 2.113 16.828 -6.921 849 1HZ LYS 63 HZ2 LYS 110 2.835 17.564 -4.169 850 2HZ LYS 63 HZ1 LYS 110 1.862 18.614 -5.084 851 3HZ LYS 63 HZ3 LYS 110 1.347 17.028 -4.784 852 H ILE 64 HN ILE 111 8.193 13.033 -6.466 853 HA ILE 64 HA ILE 111 7.547 10.221 -5.609 854 HB ILE 64 HB ILE 111 9.126 11.127 -8.051 855 1HG1 ILE 64 HG12 ILE 111 6.715 11.226 -8.431 856 2HG1 ILE 64 HG11 ILE 111 7.396 9.862 -9.308 857 1HG2 ILE 64 HG22 ILE 111 8.694 8.399 -6.824 858 2HG2 ILE 64 HG21 ILE 111 9.212 8.621 -8.493 859 3HG2 ILE 64 HG23 ILE 111 10.227 9.193 -7.169 860 1HD1 ILE 64 HD13 ILE 111 6.767 8.559 -7.053 861 2HD1 ILE 64 HD12 ILE 111 5.606 9.873 -6.912 862 3HD1 ILE 64 HD11 ILE 111 5.582 8.822 -8.328 863 H CYS 65 HN CYS 112 9.234 9.198 -4.457 864 HA CYS 65 HA CYS 112 11.611 10.884 -3.830 865 1HB CYS 65 HB2 CYS 112 10.979 8.254 -2.482 866 2HB CYS 65 HB1 CYS 112 11.916 9.606 -1.859 867 H SER 66 HN SER 113 13.483 10.405 -4.949 868 HA SER 66 HA SER 113 13.583 8.096 -6.728 869 1HB SER 66 HB2 SER 113 15.722 10.128 -6.033 870 2HB SER 66 HB1 SER 113 15.821 8.961 -7.344 871 HG SER 66 HG SER 113 13.926 9.931 -8.212 872 H TRP 67 HN TRP 114 14.783 6.220 -6.535 873 HA TRP 67 HA TRP 114 15.641 5.406 -3.875 874 1HB TRP 67 HB2 TRP 114 15.824 4.068 -6.589 875 2HB TRP 67 HB1 TRP 114 16.379 3.312 -5.097 876 HD1 TRP 67 HD1 TRP 114 13.187 5.188 -6.193 877 HE1 TRP 67 HE1 TRP 114 11.143 3.930 -5.263 878 HE3 TRP 67 HE3 TRP 114 15.502 1.328 -3.784 879 HZ2 TRP 67 HZ2 TRP 114 10.581 1.631 -3.698 880 HZ3 TRP 67 HZ3 TRP 114 14.189 -0.383 -2.588 881 HH2 TRP 67 HH2 TRP 114 11.719 -0.245 -2.558 882 H ASN 68 HN ASN 115 17.135 7.101 -6.422 883 HA ASN 68 HA ASN 115 19.798 6.206 -6.451 884 1HB ASN 68 HB2 ASN 115 18.748 9.064 -6.467 885 2HB ASN 68 HB1 ASN 115 20.401 8.608 -6.899 886 1HD2 ASN 68 HD22 ASN 115 18.114 6.553 -9.465 887 2HD2 ASN 68 HD21 ASN 115 18.351 6.103 -7.847 888 H VAL 69 HN VAL 116 17.979 7.386 -3.821 889 HA VAL 69 HA VAL 116 20.026 8.626 -2.253 890 HB VAL 69 HB VAL 116 18.586 7.916 -0.293 891 1HG1 VAL 69 HG12 VAL 116 18.251 10.013 -1.723 892 2HG1 VAL 69 HG11 VAL 116 16.959 9.126 -2.536 893 3HG1 VAL 69 HG13 VAL 116 16.851 9.462 -0.810 894 1HG2 VAL 69 HG21 VAL 116 17.787 5.806 -1.536 895 2HG2 VAL 69 HG23 VAL 116 16.552 6.717 -0.669 896 3HG2 VAL 69 HG22 VAL 116 16.698 6.875 -2.414 897 H ASP 70 HN ASP 117 21.522 7.721 -0.785 898 HA ASP 70 HA ASP 117 22.597 5.170 -1.436 899 1HB ASP 70 HB2 ASP 117 22.907 6.898 1.036 900 2HB ASP 70 HB1 ASP 117 23.833 5.419 0.772 901 H GLY 71 HN GLY 118 20.374 6.133 1.182 902 1HA GLY 71 HA2 GLY 118 18.745 4.748 2.222 903 2HA GLY 71 HA1 GLY 118 19.375 3.372 1.313 No H/Q in entry = 903 Start of MODEL 34 1 1H MET 1 HT1 MET 1 -8.810 -1.176 8.991 2 2H MET 1 HT3 MET 1 -9.780 -1.639 10.302 3 3H MET 1 HT2 MET 1 -9.190 -0.050 10.204 4 HA MET 1 HA MET 1 -7.558 -0.727 11.540 5 1HB MET 1 HB2 MET 1 -8.914 -2.820 11.951 6 2HB MET 1 HB1 MET 1 -8.028 -3.579 10.628 7 1HG MET 1 HG2 MET 1 -5.891 -3.009 11.843 8 2HG MET 1 HG1 MET 1 -6.876 -2.488 13.209 9 1HE MET 1 HE3 MET 1 -8.671 -3.681 14.122 10 2HE MET 1 HE2 MET 1 -9.355 -4.971 13.137 11 3HE MET 1 HE1 MET 1 -8.545 -5.364 14.651 12 H VAL 2 HN VAL 2 -5.450 -0.404 11.012 13 HA VAL 2 HA VAL 2 -4.561 -1.123 8.255 14 HB VAL 2 HB VAL 2 -3.409 0.738 10.358 15 1HG1 VAL 2 HG13 VAL 2 -2.420 -0.033 7.600 16 2HG1 VAL 2 HG12 VAL 2 -1.894 1.428 8.436 17 3HG1 VAL 2 HG11 VAL 2 -1.545 -0.157 9.125 18 1HG2 VAL 2 HG23 VAL 2 -4.775 1.169 7.684 19 2HG2 VAL 2 HG22 VAL 2 -5.412 1.600 9.271 20 3HG2 VAL 2 HG21 VAL 2 -4.005 2.448 8.627 21 H LYS 3 HN LYS 3 -2.513 -2.208 7.956 22 HA LYS 3 HA LYS 3 -1.458 -3.646 10.366 23 1HB LYS 3 HB2 LYS 3 -2.945 -5.105 8.951 24 2HB LYS 3 HB1 LYS 3 -1.872 -4.812 7.589 25 1HG LYS 3 HG2 LYS 3 -1.139 -6.886 8.469 26 2HG LYS 3 HG1 LYS 3 0.017 -5.718 9.103 27 1HD LYS 3 HD2 LYS 3 -1.046 -5.703 11.255 28 2HD LYS 3 HD1 LYS 3 -2.439 -6.593 10.642 29 1HE LYS 3 HE2 LYS 3 -0.972 -8.538 10.187 30 2HE LYS 3 HE1 LYS 3 0.395 -7.646 10.857 31 1HZ LYS 3 HZ3 LYS 3 -2.107 -8.250 12.335 32 2HZ LYS 3 HZ2 LYS 3 -0.669 -9.143 12.475 33 3HZ LYS 3 HZ1 LYS 3 -0.714 -7.516 12.964 34 H GLN 4 HN GLN 4 0.734 -3.432 10.536 35 HA GLN 4 HA GLN 4 2.195 -2.147 8.279 36 1HB GLN 4 HB2 GLN 4 2.377 -1.190 10.594 37 2HB GLN 4 HB1 GLN 4 3.121 -2.700 11.120 38 1HG GLN 4 HG2 GLN 4 4.948 -2.387 9.500 39 2HG GLN 4 HG1 GLN 4 4.202 -0.890 8.938 40 1HE2 GLN 4 HE22 GLN 4 6.263 0.749 11.316 41 2HE2 GLN 4 HE21 GLN 4 5.925 0.512 9.668 42 H ILE 5 HN ILE 5 3.389 -3.432 6.960 43 HA ILE 5 HA ILE 5 4.094 -6.191 7.868 44 HB ILE 5 HB ILE 5 4.331 -4.991 5.106 45 1HG1 ILE 5 HG12 ILE 5 1.997 -4.813 5.755 46 2HG1 ILE 5 HG11 ILE 5 2.164 -6.178 4.654 47 1HG2 ILE 5 HG21 ILE 5 4.268 -7.814 6.187 48 2HG2 ILE 5 HG23 ILE 5 4.186 -7.403 4.479 49 3HG2 ILE 5 HG22 ILE 5 5.627 -7.002 5.405 50 1HD1 ILE 5 HD13 ILE 5 2.432 -7.618 6.796 51 2HD1 ILE 5 HD12 ILE 5 1.775 -6.221 7.644 52 3HD1 ILE 5 HD11 ILE 5 0.820 -7.025 6.401 53 H GLU 6 HN GLU 6 6.097 -6.217 8.819 54 HA GLU 6 HA GLU 6 8.176 -4.328 7.872 55 1HB GLU 6 HB2 GLU 6 8.145 -6.243 10.224 56 2HB GLU 6 HB1 GLU 6 9.394 -5.043 9.882 57 1HG GLU 6 HG2 GLU 6 8.046 -3.882 11.404 58 2HG GLU 6 HG1 GLU 6 7.390 -3.342 9.861 59 H SER 7 HN SER 7 7.148 -7.363 7.000 60 HA SER 7 HA SER 7 9.783 -7.985 5.813 61 1HB SER 7 HB2 SER 7 9.806 -10.293 6.695 62 2HB SER 7 HB1 SER 7 9.915 -9.109 8.000 63 HG SER 7 HG SER 7 7.898 -9.580 8.596 64 H LYS 8 HN LYS 8 9.654 -9.606 4.143 65 HA LYS 8 HA LYS 8 7.218 -9.571 2.611 66 1HB LYS 8 HB2 LYS 8 9.572 -9.970 1.704 67 2HB LYS 8 HB1 LYS 8 9.442 -11.599 2.372 68 1HG LYS 8 HG2 LYS 8 7.435 -12.023 1.042 69 2HG LYS 8 HG1 LYS 8 7.494 -10.379 0.407 70 1HD LYS 8 HD2 LYS 8 8.440 -12.045 -1.185 71 2HD LYS 8 HD1 LYS 8 9.621 -10.834 -0.693 72 1HE LYS 8 HE2 LYS 8 10.804 -12.342 0.650 73 2HE LYS 8 HE1 LYS 8 9.425 -13.428 0.825 74 1HZ LYS 8 HZ2 LYS 8 9.825 -13.413 -1.834 75 2HZ LYS 8 HZ1 LYS 8 11.417 -13.291 -1.250 76 3HZ LYS 8 HZ3 LYS 8 10.435 -14.588 -0.770 77 H THR 9 HN THR 9 8.633 -11.777 4.947 78 HA THR 9 HA THR 9 7.011 -14.047 4.487 79 HB THR 9 HB THR 9 7.950 -13.016 7.178 80 HG1 THR 9 HG1 THR 9 9.862 -13.527 6.533 81 1HG2 THR 9 HG23 THR 9 7.190 -15.760 6.152 82 2HG2 THR 9 HG22 THR 9 7.998 -15.478 7.693 83 3HG2 THR 9 HG21 THR 9 6.379 -14.836 7.416 84 H ALA 10 HN ALA 10 6.464 -11.228 6.566 85 HA ALA 10 HA ALA 10 3.833 -12.074 7.395 86 1HB ALA 10 HB1 ALA 10 5.334 -9.455 7.477 87 2HB ALA 10 HB3 ALA 10 3.637 -9.537 7.954 88 3HB ALA 10 HB2 ALA 10 4.845 -10.483 8.824 89 H PHE 11 HN PHE 11 5.117 -10.231 4.689 90 HA PHE 11 HA PHE 11 2.718 -9.021 3.763 91 1HB PHE 11 HB2 PHE 11 5.069 -8.678 2.833 92 2HB PHE 11 HB1 PHE 11 4.894 -10.221 2.019 93 HD1 PHE 11 HD1 PHE 11 2.943 -7.046 2.493 94 HD2 PHE 11 HD2 PHE 11 4.122 -10.197 -0.180 95 HE1 PHE 11 HE1 PHE 11 1.721 -5.942 0.643 96 HE2 PHE 11 HE2 PHE 11 2.896 -9.094 -2.024 97 HZ PHE 11 HZ PHE 11 1.691 -6.969 -1.615 98 H GLN 12 HN GLN 12 4.098 -12.220 3.123 99 HA GLN 12 HA GLN 12 2.011 -13.066 1.334 100 1HB GLN 12 HB2 GLN 12 3.827 -14.681 3.166 101 2HB GLN 12 HB1 GLN 12 2.872 -15.351 1.844 102 1HG GLN 12 HG2 GLN 12 5.046 -13.251 1.559 103 2HG GLN 12 HG1 GLN 12 5.212 -14.958 1.149 104 1HE2 GLN 12 HE22 GLN 12 2.713 -14.555 -1.589 105 2HE2 GLN 12 HE21 GLN 12 2.855 -15.532 -0.209 106 H GLU 13 HN GLU 13 2.504 -13.407 4.831 107 HA GLU 13 HA GLU 13 0.168 -14.965 5.382 108 1HB GLU 13 HB2 GLU 13 1.760 -13.038 7.091 109 2HB GLU 13 HB1 GLU 13 0.512 -14.097 7.727 110 1HG GLU 13 HG2 GLU 13 2.895 -15.097 6.153 111 2HG GLU 13 HG1 GLU 13 2.863 -15.018 7.915 112 H ALA 14 HN ALA 14 0.672 -11.454 5.262 113 HA ALA 14 HA ALA 14 -1.950 -10.792 6.238 114 1HB ALA 14 HB1 ALA 14 -0.012 -9.204 6.175 115 2HB ALA 14 HB3 ALA 14 -0.176 -9.138 4.421 116 3HB ALA 14 HB2 ALA 14 -1.478 -8.547 5.452 117 H LEU 15 HN LEU 15 -0.617 -11.326 2.983 118 HA LEU 15 HA LEU 15 -2.941 -10.519 1.536 119 1HB LEU 15 HB2 LEU 15 -0.794 -12.569 0.936 120 2HB LEU 15 HB1 LEU 15 -2.056 -12.145 -0.214 121 HG LEU 15 HG LEU 15 -0.181 -10.127 1.042 122 1HD1 LEU 15 HD13 LEU 15 0.017 -11.703 -1.524 123 2HD1 LEU 15 HD12 LEU 15 0.826 -10.151 -1.331 124 3HD1 LEU 15 HD11 LEU 15 1.237 -11.495 -0.267 125 1HD2 LEU 15 HD23 LEU 15 -2.370 -10.005 -1.014 126 2HD2 LEU 15 HD22 LEU 15 -1.956 -8.852 0.251 127 3HD2 LEU 15 HD21 LEU 15 -0.981 -8.935 -1.211 128 H ASP 16 HN ASP 16 -1.962 -13.569 3.017 129 HA ASP 16 HA ASP 16 -4.228 -15.090 2.115 130 1HB ASP 16 HB2 ASP 16 -2.041 -16.036 2.950 131 2HB ASP 16 HB1 ASP 16 -2.539 -15.595 4.585 132 H ALA 17 HN ALA 17 -3.607 -13.160 5.033 133 HA ALA 17 HA ALA 17 -5.962 -14.000 6.456 134 1HB ALA 17 HB2 ALA 17 -4.059 -12.893 7.572 135 2HB ALA 17 HB1 ALA 17 -4.405 -11.409 6.685 136 3HB ALA 17 HB3 ALA 17 -5.562 -12.021 7.867 137 H ALA 18 HN ALA 18 -5.364 -11.387 4.141 138 HA ALA 18 HA ALA 18 -7.830 -9.995 4.517 139 1HB ALA 18 HB3 ALA 18 -6.050 -10.318 2.090 140 2HB ALA 18 HB2 ALA 18 -7.478 -9.284 2.099 141 3HB ALA 18 HB1 ALA 18 -6.134 -8.939 3.188 142 H GLY 19 HN GLY 19 -6.998 -12.895 2.700 143 1HA GLY 19 HA2 GLY 19 -8.398 -14.514 1.742 144 2HA GLY 19 HA1 GLY 19 -9.731 -13.775 2.632 145 H ASP 20 HN ASP 20 -11.303 -13.129 1.259 146 HA ASP 20 HA ASP 20 -10.626 -12.409 -1.528 147 1HB ASP 20 HB2 ASP 20 -13.295 -12.727 -0.133 148 2HB ASP 20 HB1 ASP 20 -13.071 -12.451 -1.862 149 H LYS 21 HN LYS 21 -10.652 -10.674 1.270 150 HA LYS 21 HA LYS 21 -12.251 -8.383 0.429 151 1HB LYS 21 HB2 LYS 21 -10.113 -8.708 2.560 152 2HB LYS 21 HB1 LYS 21 -11.022 -7.219 2.308 153 1HG LYS 21 HG2 LYS 21 -13.132 -8.750 2.544 154 2HG LYS 21 HG1 LYS 21 -12.012 -9.895 3.283 155 1HD LYS 21 HD2 LYS 21 -11.286 -8.019 4.833 156 2HD LYS 21 HD1 LYS 21 -12.641 -7.081 4.203 157 1HE LYS 21 HE2 LYS 21 -14.166 -8.966 4.863 158 2HE LYS 21 HE1 LYS 21 -12.786 -9.744 5.639 159 1HZ LYS 21 HZ1 LYS 21 -12.615 -7.327 6.696 160 2HZ LYS 21 HZ3 LYS 21 -14.291 -7.391 6.448 161 3HZ LYS 21 HZ2 LYS 21 -13.530 -8.575 7.398 162 H LEU 22 HN LEU 22 -11.426 -6.377 -0.422 163 HA LEU 22 HA LEU 22 -9.274 -6.608 -2.261 164 1HB LEU 22 HB2 LEU 22 -11.268 -4.755 -1.781 165 2HB LEU 22 HB1 LEU 22 -9.854 -3.880 -1.221 166 HG LEU 22 HG LEU 22 -10.304 -5.041 -3.974 167 1HD1 LEU 22 HD13 LEU 22 -10.683 -2.384 -2.761 168 2HD1 LEU 22 HD12 LEU 22 -9.608 -2.315 -4.152 169 3HD1 LEU 22 HD11 LEU 22 -11.223 -2.995 -4.321 170 1HD2 LEU 22 HD22 LEU 22 -7.821 -3.883 -2.692 171 2HD2 LEU 22 HD21 LEU 22 -7.973 -5.372 -3.628 172 3HD2 LEU 22 HD23 LEU 22 -8.064 -3.809 -4.432 173 H VAL 23 HN VAL 23 -7.107 -5.468 -2.058 174 HA VAL 23 HA VAL 23 -6.275 -4.837 0.713 175 HB VAL 23 HB VAL 23 -4.790 -6.853 -1.004 176 1HG1 VAL 23 HG12 VAL 23 -4.339 -5.657 1.734 177 2HG1 VAL 23 HG11 VAL 23 -3.599 -7.184 1.256 178 3HG1 VAL 23 HG13 VAL 23 -3.227 -5.707 0.366 179 1HG2 VAL 23 HG21 VAL 23 -6.508 -7.254 1.464 180 2HG2 VAL 23 HG23 VAL 23 -6.849 -7.861 -0.156 181 3HG2 VAL 23 HG22 VAL 23 -5.474 -8.490 0.747 182 H VAL 24 HN VAL 24 -5.258 -2.911 0.529 183 HA VAL 24 HA VAL 24 -3.822 -2.305 -2.028 184 HB VAL 24 HB VAL 24 -4.657 -0.339 0.130 185 1HG1 VAL 24 HG13 VAL 24 -2.778 0.237 -1.487 186 2HG1 VAL 24 HG12 VAL 24 -3.966 0.115 -2.784 187 3HG1 VAL 24 HG11 VAL 24 -4.158 1.334 -1.527 188 1HG2 VAL 24 HG23 VAL 24 -6.074 -1.244 -2.386 189 2HG2 VAL 24 HG22 VAL 24 -6.694 -1.256 -0.736 190 3HG2 VAL 24 HG21 VAL 24 -6.447 0.276 -1.573 191 H VAL 25 HN VAL 25 -1.620 -1.796 -1.911 192 HA VAL 25 HA VAL 25 -0.354 -1.977 0.814 193 HB VAL 25 HB VAL 25 0.792 -2.964 -1.815 194 1HG1 VAL 25 HG12 VAL 25 2.424 -2.266 -0.045 195 2HG1 VAL 25 HG11 VAL 25 1.679 -3.437 1.043 196 3HG1 VAL 25 HG13 VAL 25 2.497 -3.987 -0.417 197 1HG2 VAL 25 HG22 VAL 25 -1.212 -4.263 -1.025 198 2HG2 VAL 25 HG21 VAL 25 0.274 -5.206 -1.033 199 3HG2 VAL 25 HG23 VAL 25 -0.358 -4.574 0.486 200 H ASP 26 HN ASP 26 0.671 -0.128 1.338 201 HA ASP 26 HA ASP 26 1.453 1.766 -0.845 202 1HB ASP 26 HB2 ASP 26 0.006 2.584 1.031 203 2HB ASP 26 HB1 ASP 26 1.320 2.238 2.155 204 H PHE 27 HN PHE 27 3.561 1.758 -1.440 205 HA PHE 27 HA PHE 27 5.627 0.622 0.381 206 1HB PHE 27 HB2 PHE 27 5.601 1.271 -2.575 207 2HB PHE 27 HB1 PHE 27 7.077 0.829 -1.710 208 HD1 PHE 27 HD1 PHE 27 7.147 -1.381 -0.454 209 HD2 PHE 27 HD2 PHE 27 4.066 -0.400 -3.282 210 HE1 PHE 27 HE1 PHE 27 6.597 -3.787 -0.688 211 HE2 PHE 27 HE2 PHE 27 3.520 -2.805 -3.506 212 HZ PHE 27 HZ PHE 27 4.780 -4.499 -2.215 213 H SER 28 HN SER 28 4.380 3.397 0.587 214 HA SER 28 HA SER 28 6.223 5.361 -0.257 215 1HB SER 28 HB2 SER 28 4.563 5.336 2.276 216 2HB SER 28 HB1 SER 28 5.307 6.757 1.554 217 HG SER 28 HG SER 28 3.010 6.254 1.018 218 H ALA 29 HN ALA 29 8.019 6.307 0.690 219 HA ALA 29 HA ALA 29 9.539 4.584 2.530 220 1HB ALA 29 HB2 ALA 29 10.113 7.023 0.863 221 2HB ALA 29 HB1 ALA 29 11.185 6.664 2.215 222 3HB ALA 29 HB3 ALA 29 10.977 5.489 0.913 223 H THR 30 HN THR 30 9.454 4.904 4.736 224 HA THR 30 HA THR 30 7.854 7.044 5.811 225 HB THR 30 HB THR 30 8.159 4.907 7.024 226 HG1 THR 30 HG1 THR 30 9.398 6.589 8.786 227 1HG2 THR 30 HG23 THR 30 10.554 4.584 6.366 228 2HG2 THR 30 HG22 THR 30 10.995 5.862 7.500 229 3HG2 THR 30 HG21 THR 30 10.270 4.368 8.093 230 H TRP 31 HN TRP 31 11.303 6.587 5.238 231 HA TRP 31 HA TRP 31 12.168 8.914 6.727 232 1HB TRP 31 HB2 TRP 31 14.280 8.648 5.543 233 2HB TRP 31 HB1 TRP 31 13.691 7.072 6.071 234 HD1 TRP 31 HD1 TRP 31 13.183 5.320 4.291 235 HE1 TRP 31 HE1 TRP 31 13.404 5.215 1.724 236 HE3 TRP 31 HE3 TRP 31 13.952 10.257 3.279 237 HZ2 TRP 31 HZ2 TRP 31 13.817 7.000 -0.468 238 HZ3 TRP 31 HZ3 TRP 31 14.228 11.031 0.945 239 HH2 TRP 31 HH2 TRP 31 14.163 9.411 -0.929 240 H CYS 32 HN CYS 32 10.811 8.497 3.523 241 HA CYS 32 HA CYS 32 11.771 11.126 2.614 242 1HB CYS 32 HB2 CYS 32 11.291 9.030 1.142 243 2HB CYS 32 HB1 CYS 32 9.598 9.482 1.292 244 H GLY 33 HN GLY 33 10.818 12.949 3.266 245 1HA GLY 33 HA2 GLY 33 8.489 13.034 4.886 246 2HA GLY 33 HA1 GLY 33 9.213 14.430 4.094 247 HA PRO 34 HA PRO 34 6.178 14.718 0.891 248 1HB PRO 34 HB2 PRO 34 7.668 13.084 -1.111 249 2HB PRO 34 HB1 PRO 34 7.068 14.746 -1.239 250 1HG PRO 34 HG2 PRO 34 9.711 14.159 -0.915 251 2HG PRO 34 HG1 PRO 34 8.980 15.651 -0.304 252 1HD PRO 34 HD2 PRO 34 9.916 13.277 1.210 253 2HD PRO 34 HD1 PRO 34 9.691 14.949 1.777 254 H ALA 35 HN ALA 35 7.541 11.422 0.997 255 HA ALA 35 HA ALA 35 5.069 10.196 0.063 256 1HB ALA 35 HB1 ALA 35 7.616 9.354 0.036 257 2HB ALA 35 HB3 ALA 35 7.116 8.589 1.542 258 3HB ALA 35 HB2 ALA 35 6.268 8.220 0.039 259 H LYS 36 HN LYS 36 6.738 10.294 3.238 260 HA LYS 36 HA LYS 36 4.694 8.950 4.700 261 1HB LYS 36 HB2 LYS 36 7.025 9.486 5.520 262 2HB LYS 36 HB1 LYS 36 6.480 11.145 5.776 263 1HG LYS 36 HG2 LYS 36 4.631 10.246 7.221 264 2HG LYS 36 HG1 LYS 36 5.359 8.647 7.069 265 1HD LYS 36 HD2 LYS 36 7.470 9.529 8.030 266 2HD LYS 36 HD1 LYS 36 6.704 11.106 8.229 267 1HE LYS 36 HE2 LYS 36 6.528 9.990 10.346 268 2HE LYS 36 HE1 LYS 36 4.923 9.940 9.616 269 1HZ LYS 36 HZ2 LYS 36 6.278 7.714 8.689 270 2HZ LYS 36 HZ1 LYS 36 6.604 7.792 10.355 271 3HZ LYS 36 HZ3 LYS 36 4.999 7.750 9.806 272 H MET 37 HN MET 37 5.078 12.322 3.789 273 HA MET 37 HA MET 37 3.066 13.486 5.417 274 1HB MET 37 HB2 MET 37 4.736 14.743 4.040 275 2HB MET 37 HB1 MET 37 3.846 14.279 2.594 276 1HG MET 37 HG2 MET 37 2.454 15.687 4.869 277 2HG MET 37 HG1 MET 37 3.342 16.599 3.649 278 1HE MET 37 HE1 MET 37 0.621 17.420 3.969 279 2HE MET 37 HE3 MET 37 1.484 17.919 2.507 280 3HE MET 37 HE2 MET 37 -0.165 17.311 2.396 281 H ILE 38 HN ILE 38 2.856 11.578 2.504 282 HA ILE 38 HA ILE 38 0.030 12.255 2.047 283 HB ILE 38 HB ILE 38 1.841 10.240 0.682 284 1HG1 ILE 38 HG12 ILE 38 0.925 12.925 -0.368 285 2HG1 ILE 38 HG11 ILE 38 2.398 12.770 0.587 286 1HG2 ILE 38 HG22 ILE 38 -0.989 11.163 0.188 287 2HG2 ILE 38 HG21 ILE 38 0.020 10.647 -1.164 288 3HG2 ILE 38 HG23 ILE 38 -0.331 9.526 0.150 289 1HD1 ILE 38 HD12 ILE 38 3.196 11.039 -1.027 290 2HD1 ILE 38 HD11 ILE 38 1.789 11.387 -2.030 291 3HD1 ILE 38 HD13 ILE 38 2.999 12.637 -1.735 292 H LYS 39 HN LYS 39 1.529 10.202 4.233 293 HA LYS 39 HA LYS 39 -0.017 7.839 3.832 294 1HB LYS 39 HB2 LYS 39 0.764 7.008 5.870 295 2HB LYS 39 HB1 LYS 39 2.057 8.046 5.311 296 1HG LYS 39 HG2 LYS 39 1.630 9.686 6.942 297 2HG LYS 39 HG1 LYS 39 -0.016 9.140 7.238 298 1HD LYS 39 HD2 LYS 39 2.336 7.352 7.826 299 2HD LYS 39 HD1 LYS 39 1.817 8.570 8.985 300 1HE LYS 39 HE2 LYS 39 -0.140 7.457 9.487 301 2HE LYS 39 HE1 LYS 39 -0.311 6.788 7.868 302 1HZ LYS 39 HZ1 LYS 39 2.002 5.698 8.861 303 2HZ LYS 39 HZ3 LYS 39 0.918 5.652 10.163 304 3HZ LYS 39 HZ2 LYS 39 0.500 4.916 8.691 305 HA PRO 40 HA PRO 40 -3.044 9.832 7.157 306 1HB PRO 40 HB2 PRO 40 -3.436 12.399 5.694 307 2HB PRO 40 HB1 PRO 40 -3.361 12.098 7.441 308 1HG PRO 40 HG2 PRO 40 -1.335 13.295 6.147 309 2HG PRO 40 HG1 PRO 40 -1.037 12.173 7.484 310 1HD PRO 40 HD2 PRO 40 -0.724 11.727 4.552 311 2HD PRO 40 HD1 PRO 40 0.260 11.082 5.878 312 H PHE 41 HN PHE 41 -3.212 10.683 3.666 313 HA PHE 41 HA PHE 41 -6.072 10.287 3.530 314 1HB PHE 41 HB2 PHE 41 -3.896 10.140 1.418 315 2HB PHE 41 HB1 PHE 41 -5.611 9.987 1.067 316 HD1 PHE 41 HD2 PHE 41 -3.115 12.263 2.649 317 HD2 PHE 41 HD1 PHE 41 -6.960 11.882 0.769 318 HE1 PHE 41 HE2 PHE 41 -3.340 14.736 2.610 319 HE2 PHE 41 HE1 PHE 41 -7.188 14.353 0.740 320 HZ PHE 41 HZ PHE 41 -5.378 15.779 1.654 321 H PHE 42 HN PHE 42 -3.277 8.244 2.758 322 HA PHE 42 HA PHE 42 -4.702 5.898 2.001 323 1HB PHE 42 HB2 PHE 42 -2.319 6.233 1.560 324 2HB PHE 42 HB1 PHE 42 -1.972 6.245 3.293 325 HD1 PHE 42 HD1 PHE 42 -3.190 4.140 0.480 326 HD2 PHE 42 HD2 PHE 42 -1.783 4.225 4.538 327 HE1 PHE 42 HE1 PHE 42 -3.023 1.665 0.477 328 HE2 PHE 42 HE2 PHE 42 -1.617 1.752 4.534 329 HZ PHE 42 HZ PHE 42 -2.239 0.470 2.502 330 H HIS 43 HN HIS 43 -3.253 6.755 5.131 331 HA HIS 43 HA HIS 43 -4.295 4.493 6.557 332 1HB HIS 43 HB2 HIS 43 -2.314 5.751 7.276 333 2HB HIS 43 HB1 HIS 43 -3.300 7.185 7.545 334 HD1 HIS 43 HD1 HIS 43 -2.319 3.951 9.076 335 HD2 HIS 43 HD2 HIS 43 -5.075 6.983 9.790 336 HE1 HIS 43 HE1 HIS 43 -3.262 3.525 11.390 337 H SER 44 HN SER 44 -5.466 7.847 6.207 338 HA SER 44 HA SER 44 -7.577 7.657 8.112 339 1HB SER 44 HB2 SER 44 -7.406 9.362 5.614 340 2HB SER 44 HB1 SER 44 -8.601 9.563 6.889 341 HG SER 44 HG SER 44 -6.794 10.925 7.207 342 H LEU 45 HN LEU 45 -7.497 6.898 4.649 343 HA LEU 45 HA LEU 45 -10.287 6.425 4.310 344 1HB LEU 45 HB2 LEU 45 -7.883 5.282 2.893 345 2HB LEU 45 HB1 LEU 45 -9.530 4.988 2.366 346 HG LEU 45 HG LEU 45 -8.553 7.821 2.787 347 1HD1 LEU 45 HD13 LEU 45 -6.965 6.628 1.243 348 2HD1 LEU 45 HD12 LEU 45 -8.337 6.240 0.205 349 3HD1 LEU 45 HD11 LEU 45 -7.868 7.921 0.452 350 1HD2 LEU 45 HD22 LEU 45 -10.700 6.516 1.088 351 2HD2 LEU 45 HD21 LEU 45 -10.939 7.602 2.453 352 3HD2 LEU 45 HD23 LEU 45 -10.249 8.210 0.952 353 H SER 46 HN SER 46 -7.841 4.504 5.871 354 HA SER 46 HA SER 46 -8.853 1.915 5.511 355 1HB SER 46 HB2 SER 46 -7.782 3.093 8.095 356 2HB SER 46 HB1 SER 46 -7.926 1.377 7.736 357 HG SER 46 HG SER 46 -6.631 2.096 5.750 358 H GLU 47 HN GLU 47 -9.984 4.461 7.697 359 HA GLU 47 HA GLU 47 -12.120 2.741 8.752 360 1HB GLU 47 HB2 GLU 47 -11.515 5.700 9.078 361 2HB GLU 47 HB1 GLU 47 -12.856 4.878 9.871 362 1HG GLU 47 HG2 GLU 47 -9.954 4.049 10.163 363 2HG GLU 47 HG1 GLU 47 -10.812 5.072 11.315 364 H LYS 48 HN LYS 48 -11.699 4.844 5.999 365 HA LYS 48 HA LYS 48 -14.543 5.480 5.742 366 1HB LYS 48 HB2 LYS 48 -12.759 6.921 4.721 367 2HB LYS 48 HB1 LYS 48 -12.399 5.609 3.596 368 1HG LYS 48 HG2 LYS 48 -14.775 5.672 2.817 369 2HG LYS 48 HG1 LYS 48 -15.056 7.055 3.875 370 1HD LYS 48 HD2 LYS 48 -13.257 8.294 2.683 371 2HD LYS 48 HD1 LYS 48 -13.078 6.930 1.582 372 1HE LYS 48 HE2 LYS 48 -15.392 7.192 0.828 373 2HE LYS 48 HE1 LYS 48 -15.645 8.496 1.990 374 1HZ LYS 48 HZ2 LYS 48 -13.592 9.514 0.802 375 2HZ LYS 48 HZ1 LYS 48 -14.045 8.488 -0.474 376 3HZ LYS 48 HZ3 LYS 48 -15.130 9.658 0.099 377 H TYR 49 HN TYR 49 -12.300 3.063 4.536 378 HA TYR 49 HA TYR 49 -14.646 1.491 3.488 379 1HB TYR 49 HB2 TYR 49 -11.797 1.535 2.412 380 2HB TYR 49 HB1 TYR 49 -13.076 0.456 1.859 381 HD1 TYR 49 HD2 TYR 49 -15.232 1.518 0.945 382 HD2 TYR 49 HD1 TYR 49 -11.570 3.697 1.473 383 HE1 TYR 49 HE2 TYR 49 -16.039 3.254 -0.632 384 HE2 TYR 49 HE1 TYR 49 -12.377 5.430 -0.108 385 HH TYR 49 HH TYR 49 -15.401 5.923 -0.908 386 H SER 50 HN SER 50 -14.466 1.010 5.902 387 HA SER 50 HA SER 50 -12.295 -0.489 6.977 388 1HB SER 50 HB2 SER 50 -13.810 -1.019 8.768 389 2HB SER 50 HB1 SER 50 -14.182 0.615 8.250 390 HG SER 50 HG SER 50 -16.126 -0.165 8.030 391 H ASN 51 HN ASN 51 -14.532 -1.260 4.587 392 HA ASN 51 HA ASN 51 -14.523 -4.168 5.108 393 1HB ASN 51 HB2 ASN 51 -16.547 -2.940 4.214 394 2HB ASN 51 HB1 ASN 51 -15.648 -2.686 2.720 395 1HD2 ASN 51 HD22 ASN 51 -16.374 -5.901 1.510 396 2HD2 ASN 51 HD21 ASN 51 -15.846 -4.320 1.186 397 H VAL 52 HN VAL 52 -12.267 -2.156 4.098 398 HA VAL 52 HA VAL 52 -11.132 -4.070 2.106 399 HB VAL 52 HB VAL 52 -11.088 -1.040 2.082 400 1HG1 VAL 52 HG11 VAL 52 -9.207 -3.029 0.821 401 2HG1 VAL 52 HG13 VAL 52 -9.544 -1.497 0.013 402 3HG1 VAL 52 HG12 VAL 52 -8.836 -1.510 1.626 403 1HG2 VAL 52 HG22 VAL 52 -12.963 -2.193 0.934 404 2HG2 VAL 52 HG21 VAL 52 -11.909 -1.370 -0.215 405 3HG2 VAL 52 HG23 VAL 52 -11.799 -3.119 -0.013 406 H ILE 53 HN ILE 53 -8.859 -4.462 2.405 407 HA ILE 53 HA ILE 53 -7.884 -3.655 5.121 408 HB ILE 53 HB ILE 53 -6.681 -5.715 3.249 409 1HG1 ILE 53 HG12 ILE 53 -8.984 -6.396 3.655 410 2HG1 ILE 53 HG11 ILE 53 -7.928 -7.388 4.655 411 1HG2 ILE 53 HG21 ILE 53 -5.393 -4.746 5.240 412 2HG2 ILE 53 HG23 ILE 53 -6.576 -5.536 6.270 413 3HG2 ILE 53 HG22 ILE 53 -5.554 -6.497 5.204 414 1HD1 ILE 53 HD13 ILE 53 -8.369 -5.646 6.519 415 2HD1 ILE 53 HD12 ILE 53 -9.701 -5.097 5.504 416 3HD1 ILE 53 HD11 ILE 53 -9.681 -6.752 6.111 417 H PHE 54 HN PHE 54 -6.374 -2.035 5.234 418 HA PHE 54 HA PHE 54 -4.816 -1.336 2.759 419 1HB PHE 54 HB2 PHE 54 -5.439 0.256 5.266 420 2HB PHE 54 HB1 PHE 54 -4.366 0.814 3.988 421 HD1 PHE 54 HD1 PHE 54 -7.854 -0.333 4.654 422 HD2 PHE 54 HD2 PHE 54 -5.240 1.866 2.051 423 HE1 PHE 54 HE1 PHE 54 -9.818 0.547 3.420 424 HE2 PHE 54 HE2 PHE 54 -7.206 2.731 0.806 425 HZ PHE 54 HZ PHE 54 -9.493 2.069 1.494 426 H LEU 55 HN LEU 55 -2.670 -1.922 2.765 427 HA LEU 55 HA LEU 55 -1.329 -2.436 5.403 428 1HB LEU 55 HB2 LEU 55 -0.813 -3.604 2.661 429 2HB LEU 55 HB1 LEU 55 0.386 -3.699 3.951 430 HG LEU 55 HG LEU 55 -1.086 -4.997 5.330 431 1HD1 LEU 55 HD13 LEU 55 -3.197 -4.202 3.341 432 2HD1 LEU 55 HD12 LEU 55 -3.391 -5.646 4.336 433 3HD1 LEU 55 HD11 LEU 55 -3.209 -4.074 5.100 434 1HD2 LEU 55 HD21 LEU 55 -1.135 -5.900 2.441 435 2HD2 LEU 55 HD23 LEU 55 0.035 -6.336 3.687 436 3HD2 LEU 55 HD22 LEU 55 -1.622 -6.928 3.787 437 H GLU 56 HN GLU 56 0.536 -1.404 5.879 438 HA GLU 56 HA GLU 56 1.500 0.664 3.931 439 1HB GLU 56 HB2 GLU 56 0.588 1.477 6.156 440 2HB GLU 56 HB1 GLU 56 1.904 0.601 6.941 441 1HG GLU 56 HG2 GLU 56 3.522 1.900 5.517 442 2HG GLU 56 HG1 GLU 56 2.161 2.866 4.944 443 H VAL 57 HN VAL 57 3.573 0.381 3.200 444 HA VAL 57 HA VAL 57 5.292 -1.649 4.602 445 HB VAL 57 HB VAL 57 5.038 -1.219 1.614 446 1HG1 VAL 57 HG11 VAL 57 6.597 -3.157 3.327 447 2HG1 VAL 57 HG13 VAL 57 6.345 -3.381 1.599 448 3HG1 VAL 57 HG12 VAL 57 7.247 -1.983 2.181 449 1HG2 VAL 57 HG23 VAL 57 4.027 -3.461 3.382 450 2HG2 VAL 57 HG22 VAL 57 3.022 -2.267 2.566 451 3HG2 VAL 57 HG21 VAL 57 3.950 -3.432 1.622 452 H ASP 58 HN ASP 58 7.372 -1.029 4.961 453 HA ASP 58 HA ASP 58 8.244 1.671 4.038 454 1HB ASP 58 HB2 ASP 58 8.338 0.928 6.487 455 2HB ASP 58 HB1 ASP 58 9.610 -0.195 5.982 456 H VAL 59 HN VAL 59 9.531 1.683 2.212 457 HA VAL 59 HA VAL 59 10.632 -0.771 1.134 458 HB VAL 59 HB VAL 59 11.800 0.697 -0.460 459 1HG1 VAL 59 HG13 VAL 59 8.939 1.376 0.220 460 2HG1 VAL 59 HG12 VAL 59 9.743 2.037 -1.201 461 3HG1 VAL 59 HG11 VAL 59 9.533 0.296 -1.040 462 1HG2 VAL 59 HG23 VAL 59 10.948 2.834 1.500 463 2HG2 VAL 59 HG22 VAL 59 12.570 2.485 0.902 464 3HG2 VAL 59 HG21 VAL 59 11.375 3.213 -0.169 465 H ASP 60 HN ASP 60 11.671 1.484 3.532 466 HA ASP 60 HA ASP 60 14.516 0.703 3.252 467 1HB ASP 60 HB2 ASP 60 12.995 2.701 4.904 468 2HB ASP 60 HB1 ASP 60 14.645 2.280 5.319 469 H ASP 61 HN ASP 61 11.869 0.270 5.645 470 HA ASP 61 HA ASP 61 13.683 -1.505 7.229 471 1HB ASP 61 HB2 ASP 61 10.846 -0.582 7.829 472 2HB ASP 61 HB1 ASP 61 11.882 -1.512 8.908 473 H ALA 62 HN ALA 62 11.338 -1.583 4.809 474 HA ALA 62 HA ALA 62 10.979 -4.532 5.148 475 1HB ALA 62 HB3 ALA 62 8.937 -2.698 5.354 476 2HB ALA 62 HB2 ALA 62 8.875 -3.078 3.635 477 3HB ALA 62 HB1 ALA 62 8.709 -4.365 4.832 478 H GLN 63 HN GLN 63 13.059 -3.183 3.788 479 HA GLN 63 HA GLN 63 12.606 -2.782 1.021 480 1HB GLN 63 HB2 GLN 63 15.017 -3.029 0.760 481 2HB GLN 63 HB1 GLN 63 14.711 -2.176 2.274 482 1HG GLN 63 HG2 GLN 63 14.819 -4.429 3.433 483 2HG GLN 63 HG1 GLN 63 15.432 -5.088 1.916 484 1HE2 GLN 63 HE22 GLN 63 18.300 -3.923 4.088 485 2HE2 GLN 63 HE21 GLN 63 16.991 -4.966 4.371 486 H ASP 64 HN ASP 64 12.814 -5.714 2.906 487 HA ASP 64 HA ASP 64 13.438 -7.500 0.746 488 1HB ASP 64 HB2 ASP 64 12.448 -9.251 2.239 489 2HB ASP 64 HB1 ASP 64 13.648 -8.252 3.046 490 H VAL 65 HN VAL 65 10.440 -6.128 2.009 491 HA VAL 65 HA VAL 65 8.651 -7.705 0.387 492 HB VAL 65 HB VAL 65 8.101 -4.909 1.407 493 1HG1 VAL 65 HG12 VAL 65 6.392 -6.032 0.004 494 2HG1 VAL 65 HG11 VAL 65 6.343 -7.362 1.162 495 3HG1 VAL 65 HG13 VAL 65 5.831 -5.747 1.652 496 1HG2 VAL 65 HG23 VAL 65 8.172 -7.494 2.973 497 2HG2 VAL 65 HG22 VAL 65 9.111 -6.035 3.269 498 3HG2 VAL 65 HG21 VAL 65 7.370 -6.029 3.534 499 H ALA 66 HN ALA 66 9.965 -4.404 0.093 500 HA ALA 66 HA ALA 66 8.686 -3.873 -2.434 501 1HB ALA 66 HB1 ALA 66 9.743 -2.275 -0.573 502 2HB ALA 66 HB3 ALA 66 11.152 -2.376 -1.628 503 3HB ALA 66 HB2 ALA 66 9.619 -1.764 -2.256 504 H SER 67 HN SER 67 11.899 -5.050 -1.521 505 HA SER 67 HA SER 67 13.129 -4.823 -4.075 506 1HB SER 67 HB2 SER 67 14.691 -6.543 -3.261 507 2HB SER 67 HB1 SER 67 14.359 -5.366 -1.993 508 HG SER 67 HG SER 67 13.133 -7.907 -2.334 509 H GLU 68 HN GLU 68 11.058 -7.331 -2.697 510 HA GLU 68 HA GLU 68 11.352 -9.200 -4.857 511 1HB GLU 68 HB2 GLU 68 10.422 -9.764 -2.602 512 2HB GLU 68 HB1 GLU 68 8.979 -8.832 -3.000 513 1HG GLU 68 HG2 GLU 68 8.457 -11.118 -3.483 514 2HG GLU 68 HG1 GLU 68 8.719 -10.339 -5.040 515 H ALA 69 HN ALA 69 9.265 -6.420 -4.307 516 HA ALA 69 HA ALA 69 7.669 -6.962 -6.713 517 1HB ALA 69 HB3 ALA 69 7.712 -4.743 -4.672 518 2HB ALA 69 HB2 ALA 69 6.713 -4.660 -6.120 519 3HB ALA 69 HB1 ALA 69 6.454 -5.947 -4.945 520 H GLU 70 HN GLU 70 10.732 -5.792 -6.285 521 HA GLU 70 HA GLU 70 12.139 -4.442 -7.588 522 1HB GLU 70 HB2 GLU 70 10.054 -5.208 -9.644 523 2HB GLU 70 HB1 GLU 70 11.525 -4.328 -10.039 524 1HG GLU 70 HG2 GLU 70 12.011 -6.614 -10.456 525 2HG GLU 70 HG1 GLU 70 12.807 -6.230 -8.933 526 H VAL 71 HN VAL 71 10.550 -2.847 -6.006 527 HA VAL 71 HA VAL 71 8.977 -0.981 -7.535 528 HB VAL 71 HB VAL 71 10.426 -0.429 -4.923 529 1HG1 VAL 71 HG12 VAL 71 8.046 0.784 -6.359 530 2HG1 VAL 71 HG11 VAL 71 8.365 1.071 -4.651 531 3HG1 VAL 71 HG13 VAL 71 9.540 1.581 -5.866 532 1HG2 VAL 71 HG22 VAL 71 7.821 -1.868 -5.520 533 2HG2 VAL 71 HG21 VAL 71 9.154 -2.401 -4.497 534 3HG2 VAL 71 HG23 VAL 71 8.108 -1.087 -3.965 535 H LYS 72 HN LYS 72 9.630 0.791 -8.685 536 HA LYS 72 HA LYS 72 12.557 1.334 -8.813 537 1HB LYS 72 HB2 LYS 72 10.348 2.032 -10.760 538 2HB LYS 72 HB1 LYS 72 12.061 2.364 -11.002 539 1HG LYS 72 HG2 LYS 72 11.085 -0.457 -10.476 540 2HG LYS 72 HG1 LYS 72 11.067 0.220 -12.102 541 1HD LYS 72 HD2 LYS 72 13.524 0.750 -11.823 542 2HD LYS 72 HD1 LYS 72 13.485 -0.156 -10.311 543 1HE LYS 72 HE2 LYS 72 12.593 -2.129 -11.605 544 2HE LYS 72 HE1 LYS 72 12.880 -1.213 -13.084 545 1HZ LYS 72 HZ1 LYS 72 15.227 -0.943 -11.864 546 2HZ LYS 72 HZ3 LYS 72 14.778 -2.473 -11.288 547 3HZ LYS 72 HZ2 LYS 72 14.881 -2.194 -12.961 548 H ALA 73 HN ALA 73 9.631 2.656 -7.637 549 HA ALA 73 HA ALA 73 11.025 5.068 -6.791 550 1HB ALA 73 HB3 ALA 73 10.239 5.396 -9.263 551 2HB ALA 73 HB2 ALA 73 8.639 5.594 -8.550 552 3HB ALA 73 HB1 ALA 73 9.952 6.680 -8.094 553 H THR 74 HN THR 74 9.690 6.390 -5.334 554 HA THR 74 HA THR 74 7.196 5.048 -4.367 555 HB THR 74 HB THR 74 7.888 5.449 -2.061 556 HG1 THR 74 HG1 THR 74 10.048 6.329 -1.780 557 1HG2 THR 74 HG22 THR 74 9.956 4.135 -3.788 558 2HG2 THR 74 HG21 THR 74 10.115 4.187 -2.038 559 3HG2 THR 74 HG23 THR 74 8.731 3.382 -2.778 560 HA PRO 75 HA PRO 75 5.789 5.684 -2.511 561 1HB PRO 75 HB2 PRO 75 3.208 6.656 -2.613 562 2HB PRO 75 HB1 PRO 75 4.409 7.139 -1.406 563 1HG PRO 75 HG2 PRO 75 3.423 8.643 -3.776 564 2HG PRO 75 HG1 PRO 75 4.047 9.250 -2.237 565 1HD PRO 75 HD2 PRO 75 5.474 9.180 -4.672 566 2HD PRO 75 HD1 PRO 75 6.196 9.406 -3.054 567 H THR 76 HN THR 76 4.918 3.789 -3.244 568 HA THR 76 HA THR 76 3.519 3.804 -5.897 569 HB THR 76 HB THR 76 5.416 1.676 -4.874 570 HG1 THR 76 HG1 THR 76 5.881 3.954 -6.094 571 1HG2 THR 76 HG23 THR 76 3.716 1.955 -7.350 572 2HG2 THR 76 HG22 THR 76 5.112 0.881 -7.292 573 3HG2 THR 76 HG21 THR 76 3.751 0.615 -6.203 574 H PHE 77 HN PHE 77 1.587 2.874 -5.817 575 HA PHE 77 HA PHE 77 0.821 1.361 -3.350 576 1HB PHE 77 HB2 PHE 77 -0.897 2.823 -5.377 577 2HB PHE 77 HB1 PHE 77 -1.484 2.021 -3.917 578 HD1 PHE 77 HD1 PHE 77 -0.905 2.919 -1.664 579 HD2 PHE 77 HD2 PHE 77 0.261 4.934 -5.277 580 HE1 PHE 77 HE1 PHE 77 -0.422 4.978 -0.362 581 HE2 PHE 77 HE2 PHE 77 0.748 6.989 -3.974 582 HZ PHE 77 HZ PHE 77 0.403 7.013 -1.517 583 H GLN 78 HN GLN 78 0.290 -0.780 -3.597 584 HA GLN 78 HA GLN 78 -0.215 -1.790 -6.384 585 1HB GLN 78 HB2 GLN 78 1.329 -3.078 -4.124 586 2HB GLN 78 HB1 GLN 78 0.820 -3.944 -5.574 587 1HG GLN 78 HG2 GLN 78 2.025 -2.160 -6.927 588 2HG GLN 78 HG1 GLN 78 2.707 -1.577 -5.410 589 1HE2 GLN 78 HE22 GLN 78 5.209 -3.931 -6.700 590 2HE2 GLN 78 HE21 GLN 78 4.641 -2.374 -7.050 591 H PHE 79 HN PHE 79 -1.901 -3.187 -6.612 592 HA PHE 79 HA PHE 79 -3.641 -3.547 -4.197 593 1HB PHE 79 HB2 PHE 79 -4.284 -3.485 -7.155 594 2HB PHE 79 HB1 PHE 79 -5.459 -3.843 -5.883 595 HD1 PHE 79 HD2 PHE 79 -3.050 -1.293 -7.108 596 HD2 PHE 79 HD1 PHE 79 -6.391 -2.107 -4.539 597 HE1 PHE 79 HE2 PHE 79 -3.274 1.128 -6.635 598 HE2 PHE 79 HE1 PHE 79 -6.609 0.314 -4.055 599 HZ PHE 79 HZ PHE 79 -5.054 1.933 -5.105 600 H PHE 80 HN PHE 80 -4.175 -5.511 -3.520 601 HA PHE 80 HA PHE 80 -3.526 -7.872 -5.225 602 1HB PHE 80 HB2 PHE 80 -2.919 -7.454 -2.293 603 2HB PHE 80 HB1 PHE 80 -2.901 -9.038 -3.065 604 HD1 PHE 80 HD2 PHE 80 -1.231 -5.726 -2.895 605 HD2 PHE 80 HD1 PHE 80 -1.196 -9.653 -4.660 606 HE1 PHE 80 HE2 PHE 80 1.080 -5.352 -3.704 607 HE2 PHE 80 HE1 PHE 80 1.117 -9.268 -5.467 608 HZ PHE 80 HZ PHE 80 2.254 -7.116 -4.989 609 H LYS 81 HN LYS 81 -5.026 -9.548 -5.099 610 HA LYS 81 HA LYS 81 -7.223 -9.354 -3.115 611 1HB LYS 81 HB2 LYS 81 -7.805 -8.026 -5.242 612 2HB LYS 81 HB1 LYS 81 -7.789 -9.573 -6.086 613 1HG LYS 81 HG2 LYS 81 -9.481 -10.417 -4.445 614 2HG LYS 81 HG1 LYS 81 -9.568 -8.797 -3.763 615 1HD LYS 81 HD2 LYS 81 -10.100 -7.968 -6.106 616 2HD LYS 81 HD1 LYS 81 -10.307 -9.660 -6.562 617 1HE LYS 81 HE2 LYS 81 -12.039 -9.934 -4.850 618 2HE LYS 81 HE1 LYS 81 -11.810 -8.261 -4.330 619 1HZ LYS 81 HZ3 LYS 81 -12.620 -9.076 -7.069 620 2HZ LYS 81 HZ2 LYS 81 -13.698 -8.559 -5.864 621 3HZ LYS 81 HZ1 LYS 81 -12.523 -7.493 -6.471 622 H LYS 82 HN LYS 82 -7.692 -11.419 -2.458 623 HA LYS 82 HA LYS 82 -7.598 -13.755 -2.314 624 1HB LYS 82 HB2 LYS 82 -7.569 -13.625 -5.359 625 2HB LYS 82 HB1 LYS 82 -7.862 -15.064 -4.394 626 1HG LYS 82 HG2 LYS 82 -9.796 -13.633 -3.332 627 2HG LYS 82 HG1 LYS 82 -9.628 -12.665 -4.792 628 1HD LYS 82 HD2 LYS 82 -9.823 -14.836 -6.114 629 2HD LYS 82 HD1 LYS 82 -10.312 -15.601 -4.603 630 1HE LYS 82 HE2 LYS 82 -12.201 -14.068 -4.392 631 2HE LYS 82 HE1 LYS 82 -11.691 -13.201 -5.840 632 1HZ LYS 82 HZ3 LYS 82 -11.883 -15.967 -6.382 633 2HZ LYS 82 HZ2 LYS 82 -13.340 -15.421 -5.699 634 3HZ LYS 82 HZ1 LYS 82 -12.726 -14.682 -7.100 635 H GLY 83 HN GLY 83 -5.115 -12.071 -2.534 636 1HA GLY 83 HA2 GLY 83 -2.833 -12.630 -2.337 637 2HA GLY 83 HA1 GLY 83 -3.247 -14.299 -2.723 638 H GLN 84 HN GLN 84 -4.375 -11.806 -4.863 639 HA GLN 84 HA GLN 84 -2.179 -12.438 -6.796 640 1HB GLN 84 HB2 GLN 84 -5.146 -12.268 -7.356 641 2HB GLN 84 HB1 GLN 84 -3.897 -12.408 -8.591 642 1HG GLN 84 HG2 GLN 84 -3.128 -14.528 -7.491 643 2HG GLN 84 HG1 GLN 84 -4.514 -14.408 -6.403 644 1HE2 GLN 84 HE22 GLN 84 -6.736 -14.602 -9.447 645 2HE2 GLN 84 HE21 GLN 84 -6.404 -13.368 -8.328 646 H LYS 85 HN LYS 85 -1.450 -10.713 -8.020 647 HA LYS 85 HA LYS 85 -2.197 -8.025 -7.115 648 1HB LYS 85 HB2 LYS 85 0.145 -8.682 -7.688 649 2HB LYS 85 HB1 LYS 85 -0.353 -8.887 -9.367 650 1HG LYS 85 HG2 LYS 85 -1.078 -6.505 -9.409 651 2HG LYS 85 HG1 LYS 85 -0.466 -6.317 -7.765 652 1HD LYS 85 HD2 LYS 85 1.786 -7.088 -8.597 653 2HD LYS 85 HD1 LYS 85 1.136 -7.031 -10.237 654 1HE LYS 85 HE2 LYS 85 0.580 -4.643 -9.920 655 2HE LYS 85 HE1 LYS 85 1.282 -4.704 -8.304 656 1HZ LYS 85 HZ1 LYS 85 2.926 -5.642 -10.527 657 2HZ LYS 85 HZ3 LYS 85 2.673 -3.970 -10.404 658 3HZ LYS 85 HZ2 LYS 85 3.380 -4.817 -9.113 659 H VAL 86 HN VAL 86 -3.773 -6.813 -8.026 660 HA VAL 86 HA VAL 86 -4.647 -7.434 -10.827 661 HB VAL 86 HB VAL 86 -6.924 -6.617 -10.058 662 1HG1 VAL 86 HG11 VAL 86 -6.332 -9.029 -10.346 663 2HG1 VAL 86 HG13 VAL 86 -5.852 -9.082 -8.650 664 3HG1 VAL 86 HG12 VAL 86 -7.533 -8.767 -9.081 665 1HG2 VAL 86 HG21 VAL 86 -5.947 -5.527 -7.967 666 2HG2 VAL 86 HG23 VAL 86 -7.391 -6.506 -7.707 667 3HG2 VAL 86 HG22 VAL 86 -5.803 -7.151 -7.294 668 H GLY 87 HN GLY 87 -2.898 -5.212 -9.260 669 1HA GLY 87 HA2 GLY 87 -3.377 -3.163 -11.191 670 2HA GLY 87 HA1 GLY 87 -4.265 -2.744 -9.730 671 H GLU 88 HN GLU 88 -2.122 -1.219 -10.824 672 HA GLU 88 HA GLU 88 -0.493 -0.866 -8.465 673 1HB GLU 88 HB2 GLU 88 1.006 -2.518 -9.052 674 2HB GLU 88 HB1 GLU 88 0.541 -2.473 -10.745 675 1HG GLU 88 HG2 GLU 88 2.882 -1.766 -10.410 676 2HG GLU 88 HG1 GLU 88 1.921 -0.456 -11.082 677 H PHE 89 HN PHE 89 0.612 1.140 -8.526 678 HA PHE 89 HA PHE 89 0.984 2.642 -10.942 679 1HB PHE 89 HB2 PHE 89 -0.732 4.243 -10.881 680 2HB PHE 89 HB1 PHE 89 -1.562 2.725 -10.586 681 HD1 PHE 89 HD1 PHE 89 -0.060 5.670 -8.850 682 HD2 PHE 89 HD2 PHE 89 -2.881 2.443 -8.636 683 HE1 PHE 89 HE1 PHE 89 -1.001 6.633 -6.765 684 HE2 PHE 89 HE2 PHE 89 -3.823 3.401 -6.550 685 HZ PHE 89 HZ PHE 89 -2.890 5.506 -5.621 686 H SER 90 HN SER 90 1.948 4.759 -10.534 687 HA SER 90 HA SER 90 2.939 5.109 -7.721 688 1HB SER 90 HB2 SER 90 5.091 5.862 -8.646 689 2HB SER 90 HB1 SER 90 4.753 4.200 -9.127 690 HG SER 90 HG SER 90 3.675 5.927 -10.884 691 H GLY 91 HN GLY 91 3.688 7.342 -7.294 692 1HA GLY 91 HA2 GLY 91 3.695 9.705 -8.151 693 2HA GLY 91 HA1 GLY 91 2.136 9.366 -8.892 694 H ALA 92 HN ALA 92 3.017 11.303 -6.716 695 HA ALA 92 HA ALA 92 1.703 10.362 -4.294 696 1HB ALA 92 HB3 ALA 92 2.878 12.963 -5.239 697 2HB ALA 92 HB2 ALA 92 1.917 12.926 -3.766 698 3HB ALA 92 HB1 ALA 92 3.382 11.949 -3.893 699 H ASN 93 HN ASN 93 -0.302 9.812 -5.799 700 HA ASN 93 HA ASN 93 -2.174 12.168 -5.783 701 1HB ASN 93 HB2 ASN 93 -1.621 11.184 -8.066 702 2HB ASN 93 HB1 ASN 93 -2.414 9.705 -7.527 703 1HD2 ASN 93 HD22 ASN 93 -5.235 12.502 -7.086 704 2HD2 ASN 93 HD21 ASN 93 -3.954 12.281 -5.995 705 H LYS 94 HN LYS 94 -2.995 11.787 -3.704 706 HA LYS 94 HA LYS 94 -3.689 9.181 -2.697 707 1HB LYS 94 HB2 LYS 94 -4.981 10.516 -1.014 708 2HB LYS 94 HB1 LYS 94 -3.285 10.956 -1.146 709 1HG LYS 94 HG2 LYS 94 -4.995 12.496 -3.000 710 2HG LYS 94 HG1 LYS 94 -5.471 12.724 -1.324 711 1HD LYS 94 HD2 LYS 94 -3.038 13.230 -0.808 712 2HD LYS 94 HD1 LYS 94 -2.747 13.225 -2.552 713 1HE LYS 94 HE2 LYS 94 -4.401 15.002 -2.856 714 2HE LYS 94 HE1 LYS 94 -4.781 14.968 -1.134 715 1HZ LYS 94 HZ1 LYS 94 -2.113 15.602 -2.279 716 2HZ LYS 94 HZ3 LYS 94 -3.227 16.753 -1.720 717 3HZ LYS 94 HZ2 LYS 94 -2.538 15.643 -0.633 718 H GLU 95 HN GLU 95 -5.534 11.600 -4.526 719 HA GLU 95 HA GLU 95 -8.127 10.479 -4.046 720 1HB GLU 95 HB2 GLU 95 -7.069 12.037 -6.423 721 2HB GLU 95 HB1 GLU 95 -8.772 11.726 -6.098 722 1HG GLU 95 HG2 GLU 95 -6.940 13.109 -4.131 723 2HG GLU 95 HG1 GLU 95 -7.941 13.977 -5.294 724 H LYS 96 HN LYS 96 -5.557 9.692 -6.251 725 HA LYS 96 HA LYS 96 -6.958 8.119 -8.144 726 1HB LYS 96 HB2 LYS 96 -4.559 8.921 -8.191 727 2HB LYS 96 HB1 LYS 96 -4.172 7.616 -7.087 728 1HG LYS 96 HG2 LYS 96 -4.704 5.943 -8.665 729 2HG LYS 96 HG1 LYS 96 -5.579 7.075 -9.701 730 1HD LYS 96 HD2 LYS 96 -3.453 8.277 -10.149 731 2HD LYS 96 HD1 LYS 96 -2.591 7.086 -9.175 732 1HE LYS 96 HE2 LYS 96 -3.312 5.297 -10.701 733 2HE LYS 96 HE1 LYS 96 -4.222 6.467 -11.656 734 1HZ LYS 96 HZ3 LYS 96 -1.393 7.004 -11.161 735 2HZ LYS 96 HZ2 LYS 96 -1.783 5.791 -12.284 736 3HZ LYS 96 HZ1 LYS 96 -2.347 7.377 -12.513 737 H LEU 97 HN LEU 97 -5.721 7.397 -4.936 738 HA LEU 97 HA LEU 97 -5.997 4.566 -4.960 739 1HB LEU 97 HB2 LEU 97 -6.318 6.630 -2.764 740 2HB LEU 97 HB1 LEU 97 -6.397 4.908 -2.450 741 HG LEU 97 HG LEU 97 -4.037 6.256 -3.776 742 1HD1 LEU 97 HD12 LEU 97 -4.562 5.584 -0.867 743 2HD1 LEU 97 HD11 LEU 97 -2.957 5.937 -1.502 744 3HD1 LEU 97 HD13 LEU 97 -4.215 7.173 -1.550 745 1HD2 LEU 97 HD21 LEU 97 -4.621 3.477 -2.725 746 2HD2 LEU 97 HD23 LEU 97 -3.923 3.939 -4.273 747 3HD2 LEU 97 HD22 LEU 97 -2.973 4.069 -2.809 748 H GLU 98 HN GLU 98 -8.234 7.177 -4.309 749 HA GLU 98 HA GLU 98 -10.432 5.622 -3.375 750 1HB GLU 98 HB2 GLU 98 -10.294 8.094 -3.215 751 2HB GLU 98 HB1 GLU 98 -10.520 8.207 -4.957 752 1HG GLU 98 HG2 GLU 98 -12.513 6.780 -3.187 753 2HG GLU 98 HG1 GLU 98 -12.613 8.513 -3.485 754 H ALA 99 HN ALA 99 -9.608 6.624 -6.705 755 HA ALA 99 HA ALA 99 -11.974 5.438 -7.841 756 1HB ALA 99 HB2 ALA 99 -10.622 7.197 -8.968 757 2HB ALA 99 HB1 ALA 99 -9.336 6.013 -9.214 758 3HB ALA 99 HB3 ALA 99 -10.901 5.792 -9.996 759 H THR 100 HN THR 100 -8.631 4.212 -7.553 760 HA THR 100 HA THR 100 -9.137 1.803 -9.006 761 HB THR 100 HB THR 100 -7.145 2.146 -6.750 762 HG1 THR 100 HG1 THR 100 -5.979 3.293 -8.079 763 1HG2 THR 100 HG21 THR 100 -7.327 0.342 -9.174 764 2HG2 THR 100 HG23 THR 100 -5.862 0.530 -8.213 765 3HG2 THR 100 HG22 THR 100 -7.320 -0.141 -7.478 766 H ILE 101 HN ILE 101 -9.450 2.590 -5.564 767 HA ILE 101 HA ILE 101 -10.080 -0.058 -4.637 768 HB ILE 101 HB ILE 101 -10.874 2.695 -3.622 769 1HG1 ILE 101 HG12 ILE 101 -8.978 0.698 -2.363 770 2HG1 ILE 101 HG11 ILE 101 -8.425 1.836 -3.591 771 1HG2 ILE 101 HG22 ILE 101 -11.381 -0.048 -2.435 772 2HG2 ILE 101 HG21 ILE 101 -11.422 1.435 -1.480 773 3HG2 ILE 101 HG23 ILE 101 -12.569 1.205 -2.798 774 1HD1 ILE 101 HD11 ILE 101 -9.337 3.705 -2.185 775 2HD1 ILE 101 HD13 ILE 101 -9.715 2.522 -0.934 776 3HD1 ILE 101 HD12 ILE 101 -8.038 2.809 -1.398 777 H ASN 102 HN ASN 102 -12.147 2.663 -5.653 778 HA ASN 102 HA ASN 102 -14.630 1.290 -5.438 779 1HB ASN 102 HB2 ASN 102 -14.446 3.748 -5.757 780 2HB ASN 102 HB1 ASN 102 -13.839 3.483 -7.393 781 1HD2 ASN 102 HD22 ASN 102 -17.794 3.520 -6.782 782 2HD2 ASN 102 HD21 ASN 102 -16.664 4.066 -5.640 783 H GLU 103 HN GLU 103 -12.190 1.427 -7.961 784 HA GLU 103 HA GLU 103 -13.710 0.118 -10.009 785 1HB GLU 103 HB2 GLU 103 -11.552 1.439 -10.283 786 2HB GLU 103 HB1 GLU 103 -10.711 0.040 -9.624 787 1HG GLU 103 HG2 GLU 103 -10.618 -0.197 -12.007 788 2HG GLU 103 HG1 GLU 103 -11.808 -1.363 -11.433 789 H LEU 104 HN LEU 104 -11.501 -1.119 -7.496 790 HA LEU 104 HA LEU 104 -12.028 -3.902 -8.413 791 1HB LEU 104 HB2 LEU 104 -10.099 -2.826 -6.345 792 2HB LEU 104 HB1 LEU 104 -10.212 -4.511 -6.842 793 HG LEU 104 HG LEU 104 -9.573 -2.193 -8.692 794 1HD1 LEU 104 HD11 LEU 104 -7.827 -4.206 -7.267 795 2HD1 LEU 104 HD13 LEU 104 -7.282 -3.335 -8.701 796 3HD1 LEU 104 HD12 LEU 104 -7.707 -2.447 -7.238 797 1HD2 LEU 104 HD23 LEU 104 -9.881 -5.173 -9.067 798 2HD2 LEU 104 HD22 LEU 104 -10.451 -3.859 -10.097 799 3HD2 LEU 104 HD21 LEU 104 -8.744 -4.287 -10.083 800 H VAL 105 HN VAL 105 -13.418 -1.762 -6.219 801 HA VAL 105 HA VAL 105 -13.756 -3.460 -3.933 802 HB VAL 105 HB VAL 105 -14.329 -0.966 -4.090 803 1HG1 VAL 105 HG11 VAL 105 -15.827 -1.496 -6.196 804 2HG1 VAL 105 HG13 VAL 105 -17.060 -1.854 -4.991 805 3HG1 VAL 105 HG12 VAL 105 -16.334 -0.250 -5.059 806 1HG2 VAL 105 HG21 VAL 105 -16.333 -2.916 -2.925 807 2HG2 VAL 105 HG23 VAL 105 -14.896 -2.282 -2.124 808 3HG2 VAL 105 HG22 VAL 105 -16.243 -1.206 -2.499 809 HA PRO 59 HA PRO 106 13.395 18.272 -13.779 810 1HB PRO 59 HB2 PRO 106 16.103 17.902 -12.553 811 2HB PRO 59 HB1 PRO 106 15.606 17.760 -14.252 812 1HG PRO 59 HG2 PRO 106 16.995 19.867 -13.388 813 2HG PRO 59 HG1 PRO 106 15.725 20.039 -14.614 814 1HD PRO 59 HD2 PRO 106 15.640 20.755 -11.702 815 2HD PRO 59 HD1 PRO 106 14.886 21.577 -13.088 816 H ALA 60 HN ALA 107 14.323 18.627 -10.376 817 HA ALA 60 HA ALA 107 13.907 15.783 -9.795 818 1HB ALA 60 HB1 ALA 107 15.475 17.256 -8.479 819 2HB ALA 60 HB3 ALA 107 14.064 18.112 -7.856 820 3HB ALA 60 HB2 ALA 107 14.297 16.404 -7.481 821 H THR 61 HN THR 108 11.946 14.874 -9.299 822 HA THR 61 HA THR 108 9.587 16.692 -9.119 823 HB THR 61 HB THR 108 9.637 13.668 -9.377 824 HG1 THR 61 HG1 THR 108 9.011 14.592 -11.644 825 1HG2 THR 61 HG22 THR 108 7.528 14.920 -8.616 826 2HG2 THR 61 HG21 THR 108 7.503 15.627 -10.231 827 3HG2 THR 61 HG23 THR 108 7.362 13.882 -10.031 828 H LEU 62 HN LEU 109 8.835 17.171 -7.128 829 HA LEU 62 HA LEU 109 9.716 15.795 -4.733 830 1HB LEU 62 HB2 LEU 109 7.562 17.866 -5.234 831 2HB LEU 62 HB1 LEU 109 7.947 17.249 -3.631 832 HG LEU 62 HG LEU 109 9.973 18.538 -5.484 833 1HD1 LEU 62 HD12 LEU 109 8.410 19.706 -3.159 834 2HD1 LEU 62 HD11 LEU 109 9.773 20.500 -3.949 835 3HD1 LEU 62 HD13 LEU 109 8.292 20.186 -4.852 836 1HD2 LEU 62 HD23 LEU 109 10.071 17.346 -2.728 837 2HD2 LEU 62 HD22 LEU 109 11.296 17.361 -3.993 838 3HD2 LEU 62 HD21 LEU 109 11.028 18.801 -3.015 839 H LYS 63 HN LYS 110 7.030 15.444 -6.909 840 HA LYS 63 HA LYS 110 5.195 14.122 -5.146 841 1HB LYS 63 HB2 LYS 110 5.528 13.810 -8.147 842 2HB LYS 63 HB1 LYS 110 4.113 13.331 -7.218 843 1HG LYS 63 HG2 LYS 110 5.135 16.179 -7.226 844 2HG LYS 63 HG1 LYS 110 3.981 15.597 -8.422 845 1HD LYS 63 HD2 LYS 110 2.507 14.868 -6.489 846 2HD LYS 63 HD1 LYS 110 3.600 15.748 -5.422 847 1HE LYS 63 HE2 LYS 110 3.183 17.817 -6.691 848 2HE LYS 63 HE1 LYS 110 2.098 16.939 -7.769 849 1HZ LYS 63 HZ1 LYS 110 0.837 16.315 -5.692 850 2HZ LYS 63 HZ3 LYS 110 1.746 17.495 -4.883 851 3HZ LYS 63 HZ2 LYS 110 0.729 17.941 -6.171 852 H ILE 64 HN ILE 111 8.132 13.092 -6.600 853 HA ILE 64 HA ILE 111 7.602 10.250 -5.761 854 HB ILE 64 HB ILE 111 9.061 11.269 -8.224 855 1HG1 ILE 64 HG12 ILE 111 6.638 11.159 -8.517 856 2HG1 ILE 64 HG11 ILE 111 7.410 9.878 -9.440 857 1HG2 ILE 64 HG23 ILE 111 8.904 8.488 -7.049 858 2HG2 ILE 64 HG22 ILE 111 9.370 8.815 -8.719 859 3HG2 ILE 64 HG21 ILE 111 10.357 9.431 -7.394 860 1HD1 ILE 64 HD13 ILE 111 6.974 8.486 -7.192 861 2HD1 ILE 64 HD12 ILE 111 5.704 9.685 -6.992 862 3HD1 ILE 64 HD11 ILE 111 5.731 8.660 -8.426 863 H CYS 65 HN CYS 112 9.335 9.256 -4.648 864 HA CYS 65 HA CYS 112 11.663 11.016 -3.999 865 1HB CYS 65 HB2 CYS 112 10.851 8.433 -2.630 866 2HB CYS 65 HB1 CYS 112 12.075 9.562 -2.084 867 H SER 66 HN SER 113 13.643 10.468 -4.879 868 HA SER 66 HA SER 113 13.788 8.194 -6.707 869 1HB SER 66 HB2 SER 113 15.928 10.138 -5.786 870 2HB SER 66 HB1 SER 113 16.103 8.990 -7.109 871 HG SER 66 HG SER 113 15.424 11.212 -7.648 872 H TRP 67 HN TRP 114 14.916 6.242 -6.396 873 HA TRP 67 HA TRP 114 15.513 5.482 -3.638 874 1HB TRP 67 HB2 TRP 114 15.840 4.000 -6.260 875 2HB TRP 67 HB1 TRP 114 16.271 3.307 -4.695 876 HD1 TRP 67 HD1 TRP 114 13.188 5.300 -5.939 877 HE1 TRP 67 HE1 TRP 114 11.075 4.068 -5.164 878 HE3 TRP 67 HE3 TRP 114 15.279 1.276 -3.585 879 HZ2 TRP 67 HZ2 TRP 114 10.368 1.727 -3.706 880 HZ3 TRP 67 HZ3 TRP 114 13.862 -0.434 -2.515 881 HH2 TRP 67 HH2 TRP 114 11.397 -0.222 -2.582 882 H ASN 68 HN ASN 115 17.246 7.062 -6.055 883 HA ASN 68 HA ASN 115 19.854 6.039 -5.878 884 1HB ASN 68 HB2 ASN 115 18.880 8.911 -6.062 885 2HB ASN 68 HB1 ASN 115 20.571 8.440 -6.269 886 1HD2 ASN 68 HD22 ASN 115 18.646 6.291 -9.037 887 2HD2 ASN 68 HD21 ASN 115 18.683 5.891 -7.389 888 H VAL 69 HN VAL 116 17.899 7.375 -3.416 889 HA VAL 69 HA VAL 116 19.863 8.555 -1.711 890 HB VAL 69 HB VAL 116 18.248 7.911 0.144 891 1HG1 VAL 69 HG11 VAL 116 18.086 10.029 -1.211 892 2HG1 VAL 69 HG13 VAL 116 16.947 9.199 -2.272 893 3HG1 VAL 69 HG12 VAL 116 16.539 9.466 -0.578 894 1HG2 VAL 69 HG23 VAL 116 17.478 5.830 -1.177 895 2HG2 VAL 69 HG22 VAL 116 16.221 6.776 -0.383 896 3HG2 VAL 69 HG21 VAL 116 16.489 6.944 -2.115 897 H ASP 70 HN ASP 117 21.176 7.613 -0.078 898 HA ASP 70 HA ASP 117 22.247 5.028 -0.603 899 1HB ASP 70 HB2 ASP 117 22.328 6.743 1.896 900 2HB ASP 70 HB1 ASP 117 23.248 5.249 1.715 901 H GLY 71 HN GLY 118 19.735 6.097 1.655 902 1HA GLY 71 HA2 GLY 118 18.519 3.479 1.725 903 2HA GLY 71 HA1 GLY 118 19.415 3.796 3.212 No H/Q in entry = 903 Start of MODEL 35 1 1H MET 1 HT3 MET 1 -8.899 -1.313 9.231 2 2H MET 1 HT2 MET 1 -9.494 -1.690 10.777 3 3H MET 1 HT1 MET 1 -9.723 -0.135 10.131 4 HA MET 1 HA MET 1 -7.861 0.522 11.110 5 1HB MET 1 HB2 MET 1 -7.407 -2.424 11.673 6 2HB MET 1 HB1 MET 1 -6.492 -1.102 12.397 7 1HG MET 1 HG2 MET 1 -9.489 -1.491 12.662 8 2HG MET 1 HG1 MET 1 -8.302 -1.913 13.889 9 1HE MET 1 HE1 MET 1 -10.066 0.619 11.842 10 2HE MET 1 HE3 MET 1 -10.912 0.693 13.393 11 3HE MET 1 HE2 MET 1 -10.046 2.103 12.788 12 H VAL 2 HN VAL 2 -5.285 -0.225 11.127 13 HA VAL 2 HA VAL 2 -4.582 -0.762 8.247 14 HB VAL 2 HB VAL 2 -3.342 1.130 10.269 15 1HG1 VAL 2 HG12 VAL 2 -2.343 0.155 7.584 16 2HG1 VAL 2 HG11 VAL 2 -1.799 1.673 8.301 17 3HG1 VAL 2 HG13 VAL 2 -1.489 0.145 9.127 18 1HG2 VAL 2 HG21 VAL 2 -4.573 1.530 7.530 19 2HG2 VAL 2 HG23 VAL 2 -5.333 1.952 9.064 20 3HG2 VAL 2 HG22 VAL 2 -3.884 2.807 8.530 21 H LYS 3 HN LYS 3 -2.536 -1.915 7.938 22 HA LYS 3 HA LYS 3 -1.525 -3.364 10.362 23 1HB LYS 3 HB2 LYS 3 -3.074 -4.769 8.947 24 2HB LYS 3 HB1 LYS 3 -1.975 -4.535 7.593 25 1HG LYS 3 HG2 LYS 3 -1.252 -6.593 8.434 26 2HG LYS 3 HG1 LYS 3 -0.156 -5.478 9.243 27 1HD LYS 3 HD2 LYS 3 -1.657 -5.480 11.228 28 2HD LYS 3 HD1 LYS 3 -2.701 -6.639 10.412 29 1HE LYS 3 HE2 LYS 3 -1.265 -7.908 11.852 30 2HE LYS 3 HE1 LYS 3 -0.672 -8.153 10.210 31 1HZ LYS 3 HZ2 LYS 3 0.646 -5.933 11.030 32 2HZ LYS 3 HZ1 LYS 3 0.600 -6.877 12.442 33 3HZ LYS 3 HZ3 LYS 3 1.280 -7.508 11.024 34 H GLN 4 HN GLN 4 0.683 -3.185 10.529 35 HA GLN 4 HA GLN 4 2.176 -2.046 8.209 36 1HB GLN 4 HB2 GLN 4 2.426 -0.930 10.416 37 2HB GLN 4 HB1 GLN 4 3.035 -2.437 11.098 38 1HG GLN 4 HG2 GLN 4 4.930 -2.401 9.513 39 2HG GLN 4 HG1 GLN 4 4.313 -0.906 8.809 40 1HE2 GLN 4 HE22 GLN 4 6.468 0.732 11.106 41 2HE2 GLN 4 HE21 GLN 4 6.181 0.358 9.476 42 H ILE 5 HN ILE 5 3.370 -3.400 6.980 43 HA ILE 5 HA ILE 5 4.001 -6.133 8.029 44 HB ILE 5 HB ILE 5 4.178 -5.096 5.194 45 1HG1 ILE 5 HG12 ILE 5 1.863 -4.876 5.867 46 2HG1 ILE 5 HG11 ILE 5 2.000 -6.332 4.884 47 1HG2 ILE 5 HG23 ILE 5 4.133 -7.854 6.431 48 2HG2 ILE 5 HG22 ILE 5 4.008 -7.530 4.710 49 3HG2 ILE 5 HG21 ILE 5 5.475 -7.095 5.574 50 1HD1 ILE 5 HD13 ILE 5 2.342 -7.567 7.155 51 2HD1 ILE 5 HD12 ILE 5 1.662 -6.107 7.871 52 3HD1 ILE 5 HD11 ILE 5 0.712 -7.049 6.724 53 H GLU 6 HN GLU 6 6.034 -6.213 8.899 54 HA GLU 6 HA GLU 6 8.129 -4.381 7.870 55 1HB GLU 6 HB2 GLU 6 8.145 -6.299 10.226 56 2HB GLU 6 HB1 GLU 6 9.400 -5.124 9.839 57 1HG GLU 6 HG2 GLU 6 8.122 -3.972 11.431 58 2HG GLU 6 HG1 GLU 6 7.467 -3.375 9.910 59 H SER 7 HN SER 7 7.023 -7.441 7.107 60 HA SER 7 HA SER 7 9.592 -8.093 5.809 61 1HB SER 7 HB2 SER 7 9.708 -10.358 6.786 62 2HB SER 7 HB1 SER 7 9.890 -9.108 8.022 63 HG SER 7 HG SER 7 8.230 -10.019 8.937 64 H LYS 8 HN LYS 8 9.419 -9.796 4.244 65 HA LYS 8 HA LYS 8 6.928 -9.844 2.820 66 1HB LYS 8 HB2 LYS 8 9.230 -10.274 1.836 67 2HB LYS 8 HB1 LYS 8 9.149 -11.877 2.575 68 1HG LYS 8 HG2 LYS 8 6.856 -12.085 1.366 69 2HG LYS 8 HG1 LYS 8 7.416 -10.728 0.394 70 1HD LYS 8 HD2 LYS 8 8.770 -13.424 0.695 71 2HD LYS 8 HD1 LYS 8 7.976 -12.797 -0.747 72 1HE LYS 8 HE2 LYS 8 10.491 -11.719 0.554 73 2HE LYS 8 HE1 LYS 8 10.360 -12.512 -1.013 74 1HZ LYS 8 HZ1 LYS 8 9.021 -9.960 -0.296 75 2HZ LYS 8 HZ3 LYS 8 10.455 -10.083 -1.194 76 3HZ LYS 8 HZ2 LYS 8 9.007 -10.714 -1.819 77 H THR 9 HN THR 9 8.392 -11.918 5.238 78 HA THR 9 HA THR 9 6.756 -14.202 4.927 79 HB THR 9 HB THR 9 7.760 -13.010 7.526 80 HG1 THR 9 HG1 THR 9 9.583 -13.450 6.567 81 1HG2 THR 9 HG23 THR 9 6.909 -15.826 6.791 82 2HG2 THR 9 HG22 THR 9 7.647 -15.359 8.323 83 3HG2 THR 9 HG21 THR 9 6.058 -14.734 7.882 84 H ALA 10 HN ALA 10 6.221 -11.302 6.924 85 HA ALA 10 HA ALA 10 3.568 -12.104 7.730 86 1HB ALA 10 HB3 ALA 10 5.099 -9.507 7.814 87 2HB ALA 10 HB2 ALA 10 3.382 -9.540 8.221 88 3HB ALA 10 HB1 ALA 10 4.530 -10.497 9.156 89 H PHE 11 HN PHE 11 4.885 -10.361 4.986 90 HA PHE 11 HA PHE 11 2.503 -9.130 4.027 91 1HB PHE 11 HB2 PHE 11 4.882 -8.849 3.137 92 2HB PHE 11 HB1 PHE 11 4.685 -10.388 2.324 93 HD1 PHE 11 HD1 PHE 11 2.833 -7.133 2.733 94 HD2 PHE 11 HD2 PHE 11 3.948 -10.350 0.109 95 HE1 PHE 11 HE1 PHE 11 1.720 -5.984 0.846 96 HE2 PHE 11 HE2 PHE 11 2.828 -9.196 -1.778 97 HZ PHE 11 HZ PHE 11 1.711 -7.015 -1.408 98 H GLN 12 HN GLN 12 3.845 -12.375 3.496 99 HA GLN 12 HA GLN 12 1.785 -13.280 1.691 100 1HB GLN 12 HB2 GLN 12 3.531 -14.828 3.649 101 2HB GLN 12 HB1 GLN 12 2.587 -15.551 2.347 102 1HG GLN 12 HG2 GLN 12 4.769 -13.483 1.950 103 2HG GLN 12 HG1 GLN 12 4.979 -15.218 1.716 104 1HE2 GLN 12 HE22 GLN 12 3.477 -13.065 -1.289 105 2HE2 GLN 12 HE21 GLN 12 4.272 -12.391 0.051 106 H GLU 13 HN GLU 13 2.218 -13.446 5.199 107 HA GLU 13 HA GLU 13 -0.157 -14.923 5.798 108 1HB GLU 13 HB2 GLU 13 1.445 -12.936 7.433 109 2HB GLU 13 HB1 GLU 13 0.177 -13.950 8.099 110 1HG GLU 13 HG2 GLU 13 2.635 -15.006 6.673 111 2HG GLU 13 HG1 GLU 13 2.463 -14.911 8.425 112 H ALA 14 HN ALA 14 0.461 -11.457 5.429 113 HA ALA 14 HA ALA 14 -2.120 -10.628 6.375 114 1HB ALA 14 HB3 ALA 14 0.036 -9.207 5.978 115 2HB ALA 14 HB2 ALA 14 -0.546 -9.077 4.320 116 3HB ALA 14 HB1 ALA 14 -1.531 -8.472 5.654 117 H LEU 15 HN LEU 15 -0.820 -11.306 3.131 118 HA LEU 15 HA LEU 15 -3.173 -10.623 1.693 119 1HB LEU 15 HB2 LEU 15 -0.986 -12.638 1.132 120 2HB LEU 15 HB1 LEU 15 -2.254 -12.247 -0.029 121 HG LEU 15 HG LEU 15 -0.510 -10.116 1.224 122 1HD1 LEU 15 HD12 LEU 15 0.015 -11.862 -1.180 123 2HD1 LEU 15 HD11 LEU 15 0.704 -10.242 -1.057 124 3HD1 LEU 15 HD13 LEU 15 1.098 -11.462 0.152 125 1HD2 LEU 15 HD23 LEU 15 -2.394 -10.261 -1.141 126 2HD2 LEU 15 HD22 LEU 15 -2.374 -9.092 0.179 127 3HD2 LEU 15 HD21 LEU 15 -1.135 -9.029 -1.068 128 H ASP 16 HN ASP 16 -2.129 -13.635 3.236 129 HA ASP 16 HA ASP 16 -4.391 -15.178 2.366 130 1HB ASP 16 HB2 ASP 16 -2.213 -16.132 3.222 131 2HB ASP 16 HB1 ASP 16 -2.719 -15.661 4.848 132 H ALA 17 HN ALA 17 -3.751 -13.221 5.247 133 HA ALA 17 HA ALA 17 -6.086 -14.025 6.706 134 1HB ALA 17 HB2 ALA 17 -4.055 -12.790 7.620 135 2HB ALA 17 HB1 ALA 17 -4.723 -11.329 6.890 136 3HB ALA 17 HB3 ALA 17 -5.619 -12.174 8.154 137 H ALA 18 HN ALA 18 -5.521 -11.438 4.343 138 HA ALA 18 HA ALA 18 -8.039 -10.104 4.694 139 1HB ALA 18 HB3 ALA 18 -6.237 -10.337 2.272 140 2HB ALA 18 HB2 ALA 18 -7.618 -9.244 2.378 141 3HB ALA 18 HB1 ALA 18 -6.236 -9.029 3.456 142 H GLY 19 HN GLY 19 -7.041 -12.925 2.855 143 1HA GLY 19 HA2 GLY 19 -8.325 -14.569 1.787 144 2HA GLY 19 HA1 GLY 19 -9.738 -13.890 2.597 145 H ASP 20 HN ASP 20 -11.239 -13.295 1.129 146 HA ASP 20 HA ASP 20 -10.432 -12.522 -1.607 147 1HB ASP 20 HB2 ASP 20 -13.170 -12.897 -0.357 148 2HB ASP 20 HB1 ASP 20 -12.858 -12.609 -2.070 149 H LYS 21 HN LYS 21 -10.625 -10.857 1.203 150 HA LYS 21 HA LYS 21 -12.245 -8.581 0.369 151 1HB LYS 21 HB2 LYS 21 -10.154 -8.848 2.561 152 2HB LYS 21 HB1 LYS 21 -11.254 -7.481 2.370 153 1HG LYS 21 HG2 LYS 21 -13.172 -9.133 2.505 154 2HG LYS 21 HG1 LYS 21 -11.992 -10.360 2.950 155 1HD LYS 21 HD2 LYS 21 -12.713 -9.617 5.050 156 2HD LYS 21 HD1 LYS 21 -11.274 -8.635 4.798 157 1HE LYS 21 HE2 LYS 21 -12.614 -6.739 4.109 158 2HE LYS 21 HE1 LYS 21 -14.080 -7.716 4.098 159 1HZ LYS 21 HZ3 LYS 21 -13.791 -8.076 6.481 160 2HZ LYS 21 HZ2 LYS 21 -12.416 -7.075 6.472 161 3HZ LYS 21 HZ1 LYS 21 -13.944 -6.427 6.113 162 H LEU 22 HN LEU 22 -11.436 -6.543 -0.422 163 HA LEU 22 HA LEU 22 -9.234 -6.682 -2.195 164 1HB LEU 22 HB2 LEU 22 -11.256 -4.865 -1.691 165 2HB LEU 22 HB1 LEU 22 -9.865 -4.000 -1.063 166 HG LEU 22 HG LEU 22 -10.195 -5.078 -3.868 167 1HD1 LEU 22 HD13 LEU 22 -10.525 -2.401 -2.578 168 2HD1 LEU 22 HD12 LEU 22 -9.695 -2.411 -4.128 169 3HD1 LEU 22 HD11 LEU 22 -11.317 -3.080 -3.993 170 1HD2 LEU 22 HD23 LEU 22 -7.821 -3.891 -2.433 171 2HD2 LEU 22 HD22 LEU 22 -7.882 -5.315 -3.477 172 3HD2 LEU 22 HD21 LEU 22 -7.994 -3.706 -4.171 173 H VAL 23 HN VAL 23 -7.110 -5.530 -1.935 174 HA VAL 23 HA VAL 23 -6.262 -4.973 0.837 175 HB VAL 23 HB VAL 23 -4.906 -7.038 -0.927 176 1HG1 VAL 23 HG11 VAL 23 -4.210 -5.795 1.737 177 2HG1 VAL 23 HG13 VAL 23 -3.575 -7.370 1.259 178 3HG1 VAL 23 HG12 VAL 23 -3.198 -5.938 0.300 179 1HG2 VAL 23 HG23 VAL 23 -6.578 -7.253 1.585 180 2HG2 VAL 23 HG22 VAL 23 -6.840 -8.050 0.034 181 3HG2 VAL 23 HG21 VAL 23 -5.490 -8.533 1.050 182 H VAL 24 HN VAL 24 -5.262 -3.038 0.636 183 HA VAL 24 HA VAL 24 -3.848 -2.408 -1.930 184 HB VAL 24 HB VAL 24 -4.735 -0.496 0.262 185 1HG1 VAL 24 HG13 VAL 24 -2.846 0.215 -1.239 186 2HG1 VAL 24 HG12 VAL 24 -3.923 0.002 -2.618 187 3HG1 VAL 24 HG11 VAL 24 -4.284 1.223 -1.398 188 1HG2 VAL 24 HG23 VAL 24 -6.076 -1.389 -2.301 189 2HG2 VAL 24 HG22 VAL 24 -6.738 -1.415 -0.667 190 3HG2 VAL 24 HG21 VAL 24 -6.491 0.122 -1.496 191 H VAL 25 HN VAL 25 -1.644 -1.811 -1.822 192 HA VAL 25 HA VAL 25 -0.353 -2.007 0.888 193 HB VAL 25 HB VAL 25 0.772 -3.001 -1.745 194 1HG1 VAL 25 HG13 VAL 25 1.704 -3.316 1.120 195 2HG1 VAL 25 HG12 VAL 25 2.469 -4.045 -0.292 196 3HG1 VAL 25 HG11 VAL 25 2.464 -2.293 -0.100 197 1HG2 VAL 25 HG22 VAL 25 -1.236 -4.285 -0.798 198 2HG2 VAL 25 HG21 VAL 25 0.238 -5.216 -1.041 199 3HG2 VAL 25 HG23 VAL 25 -0.205 -4.678 0.577 200 H ASP 26 HN ASP 26 0.687 -0.158 1.403 201 HA ASP 26 HA ASP 26 1.440 1.743 -0.784 202 1HB ASP 26 HB2 ASP 26 0.052 2.533 1.171 203 2HB ASP 26 HB1 ASP 26 1.431 2.216 2.222 204 H PHE 27 HN PHE 27 3.531 1.654 -1.447 205 HA PHE 27 HA PHE 27 5.626 0.493 0.330 206 1HB PHE 27 HB2 PHE 27 5.500 1.126 -2.623 207 2HB PHE 27 HB1 PHE 27 7.041 0.804 -1.827 208 HD1 PHE 27 HD1 PHE 27 7.444 -1.381 -0.718 209 HD2 PHE 27 HD2 PHE 27 3.942 -0.632 -3.081 210 HE1 PHE 27 HE1 PHE 27 7.044 -3.823 -0.892 211 HE2 PHE 27 HE2 PHE 27 3.532 -3.070 -3.236 212 HZ PHE 27 HZ PHE 27 5.077 -4.666 -2.148 213 H SER 28 HN SER 28 4.365 3.288 0.494 214 HA SER 28 HA SER 28 6.226 5.228 -0.324 215 1HB SER 28 HB2 SER 28 4.583 5.207 2.217 216 2HB SER 28 HB1 SER 28 5.339 6.626 1.499 217 HG SER 28 HG SER 28 2.983 5.925 1.008 218 H ALA 29 HN ALA 29 7.987 6.178 0.646 219 HA ALA 29 HA ALA 29 9.533 4.441 2.451 220 1HB ALA 29 HB1 ALA 29 10.044 6.850 0.747 221 2HB ALA 29 HB3 ALA 29 11.088 6.647 2.152 222 3HB ALA 29 HB2 ALA 29 11.011 5.389 0.918 223 H THR 30 HN THR 30 9.477 4.747 4.660 224 HA THR 30 HA THR 30 7.852 6.863 5.775 225 HB THR 30 HB THR 30 8.187 4.708 6.954 226 HG1 THR 30 HG1 THR 30 9.471 6.476 8.645 227 1HG2 THR 30 HG21 THR 30 10.613 4.540 6.174 228 2HG2 THR 30 HG23 THR 30 11.008 5.634 7.502 229 3HG2 THR 30 HG22 THR 30 10.295 4.057 7.839 230 H TRP 31 HN TRP 31 11.259 6.395 5.102 231 HA TRP 31 HA TRP 31 12.206 8.674 6.607 232 1HB TRP 31 HB2 TRP 31 14.271 8.396 5.343 233 2HB TRP 31 HB1 TRP 31 13.677 6.830 5.892 234 HD1 TRP 31 HD1 TRP 31 12.984 5.094 4.114 235 HE1 TRP 31 HE1 TRP 31 13.193 4.987 1.548 236 HE3 TRP 31 HE3 TRP 31 14.037 9.984 3.123 237 HZ2 TRP 31 HZ2 TRP 31 13.703 6.755 -0.638 238 HZ3 TRP 31 HZ3 TRP 31 14.356 10.749 0.785 239 HH2 TRP 31 HH2 TRP 31 14.191 9.140 -1.094 240 H CYS 32 HN CYS 32 10.693 8.363 3.474 241 HA CYS 32 HA CYS 32 11.689 10.987 2.576 242 1HB CYS 32 HB2 CYS 32 11.143 8.981 1.044 243 2HB CYS 32 HB1 CYS 32 9.452 9.379 1.313 244 H GLY 33 HN GLY 33 10.837 12.775 3.437 245 1HA GLY 33 HA2 GLY 33 8.509 12.844 5.052 246 2HA GLY 33 HA1 GLY 33 9.298 14.261 4.373 247 HA PRO 34 HA PRO 34 6.276 14.963 1.226 248 1HB PRO 34 HB2 PRO 34 7.615 13.372 -0.915 249 2HB PRO 34 HB1 PRO 34 7.142 15.078 -0.911 250 1HG PRO 34 HG2 PRO 34 9.738 14.249 -0.683 251 2HG PRO 34 HG1 PRO 34 9.144 15.771 0.003 252 1HD PRO 34 HD2 PRO 34 9.928 13.275 1.400 253 2HD PRO 34 HD1 PRO 34 9.800 14.926 2.053 254 H ALA 35 HN ALA 35 7.483 11.628 1.165 255 HA ALA 35 HA ALA 35 4.991 10.515 0.165 256 1HB ALA 35 HB1 ALA 35 7.418 9.540 0.031 257 2HB ALA 35 HB3 ALA 35 7.058 8.894 1.631 258 3HB ALA 35 HB2 ALA 35 6.059 8.441 0.250 259 H LYS 36 HN LYS 36 6.608 10.479 3.355 260 HA LYS 36 HA LYS 36 4.526 9.108 4.726 261 1HB LYS 36 HB2 LYS 36 6.831 9.592 5.632 262 2HB LYS 36 HB1 LYS 36 6.310 11.257 5.899 263 1HG LYS 36 HG2 LYS 36 4.378 10.316 7.258 264 2HG LYS 36 HG1 LYS 36 5.184 8.749 7.163 265 1HD LYS 36 HD2 LYS 36 7.205 9.727 8.191 266 2HD LYS 36 HD1 LYS 36 6.393 11.289 8.299 267 1HE LYS 36 HE2 LYS 36 6.237 10.145 10.448 268 2HE LYS 36 HE1 LYS 36 4.635 10.234 9.716 269 1HZ LYS 36 HZ3 LYS 36 6.188 7.895 9.011 270 2HZ LYS 36 HZ2 LYS 36 5.736 7.984 10.645 271 3HZ LYS 36 HZ1 LYS 36 4.549 8.021 9.431 272 H MET 37 HN MET 37 4.947 12.507 3.909 273 HA MET 37 HA MET 37 2.883 13.586 5.530 274 1HB MET 37 HB2 MET 37 4.580 14.904 4.208 275 2HB MET 37 HB1 MET 37 3.668 14.523 2.752 276 1HG MET 37 HG2 MET 37 2.341 15.813 5.138 277 2HG MET 37 HG1 MET 37 3.164 16.777 3.913 278 1HE MET 37 HE2 MET 37 2.829 16.463 1.447 279 2HE MET 37 HE1 MET 37 1.195 16.600 0.805 280 3HE MET 37 HE3 MET 37 1.794 17.791 1.967 281 H ILE 38 HN ILE 38 2.768 11.755 2.554 282 HA ILE 38 HA ILE 38 -0.042 12.407 2.020 283 HB ILE 38 HB ILE 38 1.800 10.360 0.737 284 1HG1 ILE 38 HG12 ILE 38 0.909 13.050 -0.322 285 2HG1 ILE 38 HG11 ILE 38 2.398 12.848 0.604 286 1HG2 ILE 38 HG21 ILE 38 -1.012 11.282 0.150 287 2HG2 ILE 38 HG23 ILE 38 0.029 10.727 -1.160 288 3HG2 ILE 38 HG22 ILE 38 -0.362 9.642 0.168 289 1HD1 ILE 38 HD13 ILE 38 3.118 11.115 -1.035 290 2HD1 ILE 38 HD12 ILE 38 1.696 11.486 -2.003 291 3HD1 ILE 38 HD11 ILE 38 2.937 12.714 -1.741 292 H LYS 39 HN LYS 39 1.373 10.338 4.264 293 HA LYS 39 HA LYS 39 -0.214 8.008 3.827 294 1HB LYS 39 HB2 LYS 39 0.489 7.163 5.882 295 2HB LYS 39 HB1 LYS 39 1.829 8.166 5.357 296 1HG LYS 39 HG2 LYS 39 1.357 9.858 6.947 297 2HG LYS 39 HG1 LYS 39 -0.285 9.293 7.226 298 1HD LYS 39 HD2 LYS 39 1.057 7.076 8.025 299 2HD LYS 39 HD1 LYS 39 2.290 8.288 8.365 300 1HE LYS 39 HE2 LYS 39 0.571 9.577 9.664 301 2HE LYS 39 HE1 LYS 39 -0.562 8.245 9.402 302 1HZ LYS 39 HZ1 LYS 39 1.648 6.993 10.324 303 2HZ LYS 39 HZ3 LYS 39 1.668 8.435 11.217 304 3HZ LYS 39 HZ2 LYS 39 0.304 7.424 11.269 305 HA PRO 40 HA PRO 40 -3.233 10.039 7.121 306 1HB PRO 40 HB2 PRO 40 -3.664 12.565 5.598 307 2HB PRO 40 HB1 PRO 40 -3.585 12.308 7.350 308 1HG PRO 40 HG2 PRO 40 -1.572 13.503 6.024 309 2HG PRO 40 HG1 PRO 40 -1.263 12.424 7.393 310 1HD PRO 40 HD2 PRO 40 -0.930 11.900 4.479 311 2HD PRO 40 HD1 PRO 40 0.055 11.299 5.828 312 H PHE 41 HN PHE 41 -3.385 10.804 3.615 313 HA PHE 41 HA PHE 41 -6.228 10.312 3.452 314 1HB PHE 41 HB2 PHE 41 -4.037 10.158 1.356 315 2HB PHE 41 HB1 PHE 41 -5.755 10.011 1.011 316 HD1 PHE 41 HD2 PHE 41 -3.228 12.292 2.515 317 HD2 PHE 41 HD1 PHE 41 -7.097 11.913 0.705 318 HE1 PHE 41 HE2 PHE 41 -3.421 14.764 2.425 319 HE2 PHE 41 HE1 PHE 41 -7.296 14.383 0.610 320 HZ PHE 41 HZ PHE 41 -5.455 15.810 1.466 321 H PHE 42 HN PHE 42 -3.341 8.344 2.825 322 HA PHE 42 HA PHE 42 -4.704 5.953 2.055 323 1HB PHE 42 HB2 PHE 42 -2.318 6.369 1.633 324 2HB PHE 42 HB1 PHE 42 -1.991 6.347 3.370 325 HD1 PHE 42 HD1 PHE 42 -3.188 4.271 0.511 326 HD2 PHE 42 HD2 PHE 42 -1.728 4.310 4.551 327 HE1 PHE 42 HE1 PHE 42 -2.960 1.804 0.456 328 HE2 PHE 42 HE2 PHE 42 -1.499 1.842 4.497 329 HZ PHE 42 HZ PHE 42 -2.115 0.585 2.446 330 H HIS 43 HN HIS 43 -3.366 6.931 5.213 331 HA HIS 43 HA HIS 43 -4.346 4.664 6.679 332 1HB HIS 43 HB2 HIS 43 -2.508 6.120 7.481 333 2HB HIS 43 HB1 HIS 43 -3.641 7.461 7.634 334 HD1 HIS 43 HD1 HIS 43 -2.506 4.367 9.318 335 HD2 HIS 43 HD2 HIS 43 -5.600 7.114 9.715 336 HE1 HIS 43 HE1 HIS 43 -3.580 3.907 11.571 337 H SER 44 HN SER 44 -5.623 7.940 6.173 338 HA SER 44 HA SER 44 -7.834 7.705 7.939 339 1HB SER 44 HB2 SER 44 -7.533 9.386 5.441 340 2HB SER 44 HB1 SER 44 -8.831 9.566 6.612 341 HG SER 44 HG SER 44 -7.161 10.981 7.133 342 H LEU 45 HN LEU 45 -7.492 6.878 4.504 343 HA LEU 45 HA LEU 45 -10.218 6.296 3.991 344 1HB LEU 45 HB2 LEU 45 -7.693 5.188 2.783 345 2HB LEU 45 HB1 LEU 45 -9.283 4.745 2.189 346 HG LEU 45 HG LEU 45 -8.511 7.656 2.455 347 1HD1 LEU 45 HD13 LEU 45 -7.966 5.806 0.112 348 2HD1 LEU 45 HD12 LEU 45 -7.849 7.563 0.043 349 3HD1 LEU 45 HD11 LEU 45 -6.753 6.646 1.078 350 1HD2 LEU 45 HD22 LEU 45 -10.482 6.104 0.754 351 2HD2 LEU 45 HD21 LEU 45 -10.860 7.257 2.028 352 3HD2 LEU 45 HD23 LEU 45 -10.133 7.815 0.525 353 H SER 46 HN SER 46 -7.845 4.493 5.769 354 HA SER 46 HA SER 46 -8.828 1.870 5.510 355 1HB SER 46 HB2 SER 46 -7.815 3.230 8.027 356 2HB SER 46 HB1 SER 46 -7.937 1.490 7.793 357 HG SER 46 HG SER 46 -6.378 1.585 6.256 358 H GLU 47 HN GLU 47 -10.085 4.576 7.398 359 HA GLU 47 HA GLU 47 -12.235 2.884 8.534 360 1HB GLU 47 HB2 GLU 47 -11.538 5.832 8.786 361 2HB GLU 47 HB1 GLU 47 -12.957 5.111 9.541 362 1HG GLU 47 HG2 GLU 47 -11.240 5.105 11.209 363 2HG GLU 47 HG1 GLU 47 -11.372 3.442 10.639 364 H LYS 48 HN LYS 48 -11.655 4.751 5.706 365 HA LYS 48 HA LYS 48 -14.438 5.530 5.252 366 1HB LYS 48 HB2 LYS 48 -12.505 6.753 4.209 367 2HB LYS 48 HB1 LYS 48 -12.157 5.307 3.265 368 1HG LYS 48 HG2 LYS 48 -13.433 6.780 1.863 369 2HG LYS 48 HG1 LYS 48 -14.487 5.445 2.314 370 1HD LYS 48 HD2 LYS 48 -15.723 6.770 3.834 371 2HD LYS 48 HD1 LYS 48 -14.454 7.993 3.936 372 1HE LYS 48 HE2 LYS 48 -16.033 7.400 1.421 373 2HE LYS 48 HE1 LYS 48 -16.435 8.692 2.555 374 1HZ LYS 48 HZ1 LYS 48 -13.882 9.212 2.192 375 2HZ LYS 48 HZ3 LYS 48 -14.196 8.475 0.697 376 3HZ LYS 48 HZ2 LYS 48 -15.085 9.842 1.170 377 H TYR 49 HN TYR 49 -12.229 2.979 4.253 378 HA TYR 49 HA TYR 49 -14.590 1.374 3.288 379 1HB TYR 49 HB2 TYR 49 -11.742 1.339 2.203 380 2HB TYR 49 HB1 TYR 49 -13.041 0.258 1.698 381 HD1 TYR 49 HD2 TYR 49 -15.103 1.210 0.632 382 HD2 TYR 49 HD1 TYR 49 -11.575 3.559 1.328 383 HE1 TYR 49 HE2 TYR 49 -15.918 2.906 -0.980 384 HE2 TYR 49 HE1 TYR 49 -12.389 5.254 -0.289 385 HH TYR 49 HH TYR 49 -14.322 4.895 -2.508 386 H SER 50 HN SER 50 -14.438 0.961 5.704 387 HA SER 50 HA SER 50 -12.245 -0.475 6.817 388 1HB SER 50 HB2 SER 50 -13.741 -0.989 8.627 389 2HB SER 50 HB1 SER 50 -14.136 0.628 8.077 390 HG SER 50 HG SER 50 -16.066 -0.128 7.788 391 H ASN 51 HN ASN 51 -14.428 -1.325 4.410 392 HA ASN 51 HA ASN 51 -14.401 -4.218 5.017 393 1HB ASN 51 HB2 ASN 51 -16.377 -2.929 3.952 394 2HB ASN 51 HB1 ASN 51 -15.414 -2.930 2.475 395 1HD2 ASN 51 HD22 ASN 51 -16.190 -6.276 1.711 396 2HD2 ASN 51 HD21 ASN 51 -15.510 -4.806 1.202 397 H VAL 52 HN VAL 52 -12.171 -2.172 4.027 398 HA VAL 52 HA VAL 52 -10.928 -4.096 2.107 399 HB VAL 52 HB VAL 52 -10.876 -1.062 2.070 400 1HG1 VAL 52 HG13 VAL 52 -9.025 -3.101 0.868 401 2HG1 VAL 52 HG12 VAL 52 -9.406 -1.660 -0.076 402 3HG1 VAL 52 HG11 VAL 52 -8.663 -1.506 1.513 403 1HG2 VAL 52 HG21 VAL 52 -11.779 -3.167 0.076 404 2HG2 VAL 52 HG23 VAL 52 -12.815 -2.045 0.959 405 3HG2 VAL 52 HG22 VAL 52 -11.700 -1.439 -0.265 406 H ILE 53 HN ILE 53 -8.748 -4.547 2.536 407 HA ILE 53 HA ILE 53 -7.780 -3.603 5.202 408 HB ILE 53 HB ILE 53 -6.612 -5.745 3.406 409 1HG1 ILE 53 HG12 ILE 53 -8.917 -6.360 3.867 410 2HG1 ILE 53 HG11 ILE 53 -7.862 -7.350 4.869 411 1HG2 ILE 53 HG22 ILE 53 -5.322 -4.679 5.417 412 2HG2 ILE 53 HG21 ILE 53 -6.422 -5.620 6.412 413 3HG2 ILE 53 HG23 ILE 53 -5.362 -6.431 5.263 414 1HD1 ILE 53 HD13 ILE 53 -8.222 -5.544 6.691 415 2HD1 ILE 53 HD12 ILE 53 -9.574 -5.009 5.696 416 3HD1 ILE 53 HD11 ILE 53 -9.556 -6.646 6.353 417 H PHE 54 HN PHE 54 -6.324 -1.956 5.243 418 HA PHE 54 HA PHE 54 -4.728 -1.351 2.778 419 1HB PHE 54 HB2 PHE 54 -5.300 0.289 5.269 420 2HB PHE 54 HB1 PHE 54 -4.238 0.816 3.967 421 HD1 PHE 54 HD1 PHE 54 -7.720 -0.366 4.641 422 HD2 PHE 54 HD2 PHE 54 -5.139 1.920 2.081 423 HE1 PHE 54 HE1 PHE 54 -9.693 0.468 3.391 424 HE2 PHE 54 HE2 PHE 54 -7.112 2.748 0.825 425 HZ PHE 54 HZ PHE 54 -9.387 2.019 1.483 426 H LEU 55 HN LEU 55 -2.581 -1.922 2.778 427 HA LEU 55 HA LEU 55 -1.248 -2.497 5.403 428 1HB LEU 55 HB2 LEU 55 -0.775 -3.659 2.650 429 2HB LEU 55 HB1 LEU 55 0.456 -3.758 3.911 430 HG LEU 55 HG LEU 55 -0.977 -5.052 5.322 431 1HD1 LEU 55 HD12 LEU 55 -3.147 -4.231 3.406 432 2HD1 LEU 55 HD11 LEU 55 -3.321 -5.666 4.418 433 3HD1 LEU 55 HD13 LEU 55 -3.096 -4.090 5.167 434 1HD2 LEU 55 HD21 LEU 55 -1.242 -5.967 2.446 435 2HD2 LEU 55 HD23 LEU 55 0.090 -6.332 3.543 436 3HD2 LEU 55 HD22 LEU 55 -1.513 -6.990 3.855 437 H GLU 56 HN GLU 56 0.736 -1.629 5.831 438 HA GLU 56 HA GLU 56 1.709 0.510 3.967 439 1HB GLU 56 HB2 GLU 56 0.898 1.275 6.240 440 2HB GLU 56 HB1 GLU 56 2.185 0.304 6.957 441 1HG GLU 56 HG2 GLU 56 3.845 1.571 5.572 442 2HG GLU 56 HG1 GLU 56 2.531 2.615 5.023 443 H VAL 57 HN VAL 57 3.745 0.196 3.182 444 HA VAL 57 HA VAL 57 5.457 -1.912 4.471 445 HB VAL 57 HB VAL 57 4.987 -1.405 1.522 446 1HG1 VAL 57 HG13 VAL 57 6.955 -3.150 3.012 447 2HG1 VAL 57 HG12 VAL 57 6.497 -3.461 1.341 448 3HG1 VAL 57 HG11 VAL 57 7.296 -1.949 1.765 449 1HG2 VAL 57 HG21 VAL 57 3.232 -2.700 2.779 450 2HG2 VAL 57 HG23 VAL 57 4.042 -3.642 1.527 451 3HG2 VAL 57 HG22 VAL 57 4.478 -3.866 3.221 452 H ASP 58 HN ASP 58 7.503 -1.249 4.873 453 HA ASP 58 HA ASP 58 8.348 1.465 3.986 454 1HB ASP 58 HB2 ASP 58 8.485 0.648 6.404 455 2HB ASP 58 HB1 ASP 58 9.749 -0.454 5.850 456 H VAL 59 HN VAL 59 9.623 1.562 2.153 457 HA VAL 59 HA VAL 59 10.740 -0.819 0.953 458 HB VAL 59 HB VAL 59 11.990 0.774 -0.492 459 1HG1 VAL 59 HG12 VAL 59 9.133 1.570 0.095 460 2HG1 VAL 59 HG11 VAL 59 10.010 1.994 -1.375 461 3HG1 VAL 59 HG13 VAL 59 9.649 0.306 -1.015 462 1HG2 VAL 59 HG22 VAL 59 10.995 2.774 1.548 463 2HG2 VAL 59 HG21 VAL 59 12.658 2.478 1.045 464 3HG2 VAL 59 HG23 VAL 59 11.525 3.250 -0.064 465 H ASP 60 HN ASP 60 11.748 1.293 3.509 466 HA ASP 60 HA ASP 60 14.582 0.464 3.306 467 1HB ASP 60 HB2 ASP 60 13.054 2.442 4.975 468 2HB ASP 60 HB1 ASP 60 14.674 1.960 5.440 469 H ASP 61 HN ASP 61 11.867 -0.003 5.632 470 HA ASP 61 HA ASP 61 13.639 -1.829 7.203 471 1HB ASP 61 HB2 ASP 61 10.810 -0.874 7.766 472 2HB ASP 61 HB1 ASP 61 11.784 -1.874 8.836 473 H ALA 62 HN ALA 62 11.193 -1.876 4.811 474 HA ALA 62 HA ALA 62 10.946 -4.848 5.096 475 1HB ALA 62 HB3 ALA 62 8.849 -2.792 4.372 476 2HB ALA 62 HB2 ALA 62 8.687 -4.478 3.894 477 3HB ALA 62 HB1 ALA 62 8.769 -4.051 5.602 478 H GLN 63 HN GLN 63 12.976 -3.519 3.708 479 HA GLN 63 HA GLN 63 12.478 -3.044 0.956 480 1HB GLN 63 HB2 GLN 63 14.867 -3.277 0.651 481 2HB GLN 63 HB1 GLN 63 14.601 -2.501 2.214 482 1HG GLN 63 HG2 GLN 63 14.726 -4.815 3.254 483 2HG GLN 63 HG1 GLN 63 15.299 -5.396 1.691 484 1HE2 GLN 63 HE22 GLN 63 17.901 -3.613 4.157 485 2HE2 GLN 63 HE21 GLN 63 16.351 -4.108 4.641 486 H ASP 64 HN ASP 64 12.539 -6.007 2.743 487 HA ASP 64 HA ASP 64 13.297 -7.808 0.667 488 1HB ASP 64 HB2 ASP 64 11.916 -9.482 1.988 489 2HB ASP 64 HB1 ASP 64 13.143 -8.638 2.926 490 H VAL 65 HN VAL 65 10.178 -6.366 1.550 491 HA VAL 65 HA VAL 65 8.675 -7.850 -0.434 492 HB VAL 65 HB VAL 65 7.970 -5.177 0.813 493 1HG1 VAL 65 HG13 VAL 65 6.616 -6.118 -1.151 494 2HG1 VAL 65 HG12 VAL 65 6.147 -7.427 -0.070 495 3HG1 VAL 65 HG11 VAL 65 5.706 -5.765 0.318 496 1HG2 VAL 65 HG23 VAL 65 7.893 -7.975 1.922 497 2HG2 VAL 65 HG22 VAL 65 8.345 -6.473 2.723 498 3HG2 VAL 65 HG21 VAL 65 6.650 -6.827 2.407 499 H ALA 66 HN ALA 66 10.042 -4.565 -0.284 500 HA ALA 66 HA ALA 66 9.052 -3.784 -2.849 501 1HB ALA 66 HB2 ALA 66 10.041 -2.380 -0.838 502 2HB ALA 66 HB1 ALA 66 11.553 -2.564 -1.728 503 3HB ALA 66 HB3 ALA 66 10.163 -1.788 -2.494 504 H SER 67 HN SER 67 12.162 -5.190 -1.819 505 HA SER 67 HA SER 67 13.483 -4.948 -4.333 506 1HB SER 67 HB2 SER 67 14.965 -6.711 -3.534 507 2HB SER 67 HB1 SER 67 14.592 -5.632 -2.193 508 HG SER 67 HG SER 67 13.984 -7.417 -1.256 509 H GLU 68 HN GLU 68 11.299 -7.426 -3.064 510 HA GLU 68 HA GLU 68 11.537 -9.273 -5.234 511 1HB GLU 68 HB2 GLU 68 10.459 -9.782 -3.045 512 2HB GLU 68 HB1 GLU 68 9.120 -8.723 -3.481 513 1HG GLU 68 HG2 GLU 68 8.702 -10.151 -5.494 514 2HG GLU 68 HG1 GLU 68 9.973 -11.244 -4.939 515 H ALA 69 HN ALA 69 9.446 -6.457 -4.726 516 HA ALA 69 HA ALA 69 8.043 -6.909 -7.261 517 1HB ALA 69 HB1 ALA 69 6.977 -5.980 -5.157 518 2HB ALA 69 HB3 ALA 69 7.882 -4.495 -5.455 519 3HB ALA 69 HB2 ALA 69 6.684 -5.045 -6.624 520 H GLU 70 HN GLU 70 11.015 -5.594 -6.523 521 HA GLU 70 HA GLU 70 12.466 -4.168 -7.689 522 1HB GLU 70 HB2 GLU 70 10.550 -4.720 -9.975 523 2HB GLU 70 HB1 GLU 70 12.149 -4.001 -10.128 524 1HG GLU 70 HG2 GLU 70 11.630 -6.734 -8.948 525 2HG GLU 70 HG1 GLU 70 12.110 -6.445 -10.619 526 H VAL 71 HN VAL 71 10.692 -2.741 -6.130 527 HA VAL 71 HA VAL 71 9.103 -0.857 -7.583 528 HB VAL 71 HB VAL 71 10.569 -0.361 -4.966 529 1HG1 VAL 71 HG13 VAL 71 8.151 0.867 -6.321 530 2HG1 VAL 71 HG12 VAL 71 8.514 1.112 -4.614 531 3HG1 VAL 71 HG11 VAL 71 9.648 1.667 -5.850 532 1HG2 VAL 71 HG23 VAL 71 7.918 -1.726 -5.564 533 2HG2 VAL 71 HG22 VAL 71 9.300 -2.400 -4.707 534 3HG2 VAL 71 HG21 VAL 71 8.345 -1.119 -3.964 535 H LYS 72 HN LYS 72 9.712 0.917 -8.742 536 HA LYS 72 HA LYS 72 12.618 1.561 -8.841 537 1HB LYS 72 HB2 LYS 72 10.396 2.166 -10.805 538 2HB LYS 72 HB1 LYS 72 12.101 2.548 -11.041 539 1HG LYS 72 HG2 LYS 72 11.220 -0.296 -10.466 540 2HG LYS 72 HG1 LYS 72 11.179 0.348 -12.105 541 1HD LYS 72 HD2 LYS 72 13.617 0.983 -11.822 542 2HD LYS 72 HD1 LYS 72 13.601 0.083 -10.304 543 1HE LYS 72 HE2 LYS 72 12.913 -1.949 -11.495 544 2HE LYS 72 HE1 LYS 72 12.891 -1.060 -13.017 545 1HZ LYS 72 HZ3 LYS 72 15.332 -0.995 -11.401 546 2HZ LYS 72 HZ2 LYS 72 14.990 -2.410 -12.279 547 3HZ LYS 72 HZ1 LYS 72 15.150 -0.921 -13.084 548 H ALA 73 HN ALA 73 9.655 2.794 -7.670 549 HA ALA 73 HA ALA 73 10.984 5.246 -6.845 550 1HB ALA 73 HB2 ALA 73 10.175 5.543 -9.310 551 2HB ALA 73 HB1 ALA 73 8.576 5.711 -8.585 552 3HB ALA 73 HB3 ALA 73 9.869 6.829 -8.146 553 H THR 74 HN THR 74 9.687 6.519 -5.363 554 HA THR 74 HA THR 74 7.215 5.146 -4.358 555 HB THR 74 HB THR 74 7.957 5.587 -2.083 556 HG1 THR 74 HG1 THR 74 9.290 7.507 -3.311 557 1HG2 THR 74 HG22 THR 74 9.030 3.663 -3.316 558 2HG2 THR 74 HG21 THR 74 10.415 4.718 -3.589 559 3HG2 THR 74 HG23 THR 74 9.954 4.282 -1.945 560 HA PRO 75 HA PRO 75 5.808 5.800 -2.530 561 1HB PRO 75 HB2 PRO 75 3.212 6.756 -2.626 562 2HB PRO 75 HB1 PRO 75 4.415 7.249 -1.427 563 1HG PRO 75 HG2 PRO 75 3.421 8.734 -3.811 564 2HG PRO 75 HG1 PRO 75 4.021 9.356 -2.268 565 1HD PRO 75 HD2 PRO 75 5.479 9.315 -4.672 566 2HD PRO 75 HD1 PRO 75 6.188 9.501 -3.046 567 H THR 76 HN THR 76 4.855 3.913 -3.202 568 HA THR 76 HA THR 76 3.472 3.885 -5.859 569 HB THR 76 HB THR 76 5.409 1.795 -4.836 570 HG1 THR 76 HG1 THR 76 6.553 2.497 -6.743 571 1HG2 THR 76 HG23 THR 76 3.644 1.963 -7.281 572 2HG2 THR 76 HG22 THR 76 5.061 0.916 -7.215 573 3HG2 THR 76 HG21 THR 76 3.732 0.666 -6.087 574 H PHE 77 HN PHE 77 1.579 2.849 -5.821 575 HA PHE 77 HA PHE 77 0.793 1.414 -3.305 576 1HB PHE 77 HB2 PHE 77 -0.916 2.802 -5.400 577 2HB PHE 77 HB1 PHE 77 -1.506 2.044 -3.921 578 HD1 PHE 77 HD1 PHE 77 -0.923 2.999 -1.692 579 HD2 PHE 77 HD2 PHE 77 0.176 4.951 -5.361 580 HE1 PHE 77 HE1 PHE 77 -0.501 5.104 -0.447 581 HE2 PHE 77 HE2 PHE 77 0.605 7.056 -4.116 582 HZ PHE 77 HZ PHE 77 0.267 7.133 -1.656 583 H GLN 78 HN GLN 78 0.266 -0.756 -3.514 584 HA GLN 78 HA GLN 78 -0.198 -1.814 -6.282 585 1HB GLN 78 HB2 GLN 78 1.348 -3.059 -4.007 586 2HB GLN 78 HB1 GLN 78 0.838 -3.954 -5.437 587 1HG GLN 78 HG2 GLN 78 2.040 -2.261 -6.843 588 2HG GLN 78 HG1 GLN 78 2.658 -1.529 -5.367 589 1HE2 GLN 78 HE22 GLN 78 5.351 -3.818 -6.292 590 2HE2 GLN 78 HE21 GLN 78 4.754 -2.284 -6.711 591 H PHE 79 HN PHE 79 -1.878 -3.182 -6.528 592 HA PHE 79 HA PHE 79 -3.657 -3.570 -4.143 593 1HB PHE 79 HB2 PHE 79 -4.277 -3.536 -7.108 594 2HB PHE 79 HB1 PHE 79 -5.456 -3.847 -5.828 595 HD1 PHE 79 HD2 PHE 79 -3.053 -1.347 -7.151 596 HD2 PHE 79 HD1 PHE 79 -6.354 -2.076 -4.514 597 HE1 PHE 79 HE2 PHE 79 -3.270 1.085 -6.755 598 HE2 PHE 79 HE1 PHE 79 -6.575 0.360 -4.112 599 HZ PHE 79 HZ PHE 79 -5.037 1.940 -5.237 600 H PHE 80 HN PHE 80 -4.199 -5.564 -3.511 601 HA PHE 80 HA PHE 80 -3.438 -7.876 -5.231 602 1HB PHE 80 HB2 PHE 80 -3.057 -7.517 -2.262 603 2HB PHE 80 HB1 PHE 80 -2.945 -9.081 -3.070 604 HD1 PHE 80 HD2 PHE 80 -1.389 -5.715 -2.741 605 HD2 PHE 80 HD1 PHE 80 -1.095 -9.629 -4.514 606 HE1 PHE 80 HE2 PHE 80 0.965 -5.271 -3.358 607 HE2 PHE 80 HE1 PHE 80 1.261 -9.172 -5.125 608 HZ PHE 80 HZ PHE 80 2.290 -6.997 -4.547 609 H LYS 81 HN LYS 81 -4.817 -9.668 -5.134 610 HA LYS 81 HA LYS 81 -7.266 -9.451 -3.465 611 1HB LYS 81 HB2 LYS 81 -7.570 -8.291 -5.751 612 2HB LYS 81 HB1 LYS 81 -7.395 -9.889 -6.463 613 1HG LYS 81 HG2 LYS 81 -9.739 -9.530 -6.241 614 2HG LYS 81 HG1 LYS 81 -9.295 -10.644 -4.960 615 1HD LYS 81 HD2 LYS 81 -9.516 -9.028 -3.273 616 2HD LYS 81 HD1 LYS 81 -9.328 -7.682 -4.397 617 1HE LYS 81 HE2 LYS 81 -11.663 -7.847 -3.710 618 2HE LYS 81 HE1 LYS 81 -11.530 -8.283 -5.413 619 1HZ LYS 81 HZ1 LYS 81 -11.419 -10.314 -3.267 620 2HZ LYS 81 HZ3 LYS 81 -12.893 -9.800 -3.935 621 3HZ LYS 81 HZ2 LYS 81 -11.725 -10.540 -4.921 622 H LYS 82 HN LYS 82 -7.609 -11.495 -2.643 623 HA LYS 82 HA LYS 82 -7.309 -13.806 -2.333 624 1HB LYS 82 HB2 LYS 82 -7.352 -13.808 -5.376 625 2HB LYS 82 HB1 LYS 82 -7.557 -15.222 -4.343 626 1HG LYS 82 HG2 LYS 82 -9.516 -13.873 -3.273 627 2HG LYS 82 HG1 LYS 82 -9.421 -12.888 -4.724 628 1HD LYS 82 HD2 LYS 82 -9.646 -14.978 -6.092 629 2HD LYS 82 HD1 LYS 82 -9.932 -15.864 -4.593 630 1HE LYS 82 HE2 LYS 82 -12.079 -15.260 -5.597 631 2HE LYS 82 HE1 LYS 82 -11.852 -14.348 -4.106 632 1HZ LYS 82 HZ2 LYS 82 -10.689 -12.868 -6.140 633 2HZ LYS 82 HZ1 LYS 82 -12.201 -13.382 -6.726 634 3HZ LYS 82 HZ3 LYS 82 -12.108 -12.511 -5.276 635 H GLY 83 HN GLY 83 -4.959 -12.095 -2.462 636 1HA GLY 83 HA2 GLY 83 -2.646 -12.461 -2.321 637 2HA GLY 83 HA1 GLY 83 -2.946 -14.158 -2.694 638 H GLN 84 HN GLN 84 -4.250 -11.800 -4.883 639 HA GLN 84 HA GLN 84 -2.021 -12.352 -6.796 640 1HB GLN 84 HB2 GLN 84 -4.998 -12.266 -7.337 641 2HB GLN 84 HB1 GLN 84 -3.783 -12.251 -8.606 642 1HG GLN 84 HG2 GLN 84 -3.914 -14.412 -6.491 643 2HG GLN 84 HG1 GLN 84 -4.741 -14.539 -8.046 644 1HE2 GLN 84 HE22 GLN 84 -0.967 -13.945 -9.122 645 2HE2 GLN 84 HE21 GLN 84 -2.042 -12.712 -8.653 646 H LYS 85 HN LYS 85 -1.151 -10.586 -7.802 647 HA LYS 85 HA LYS 85 -2.076 -7.927 -7.011 648 1HB LYS 85 HB2 LYS 85 0.316 -8.507 -7.285 649 2HB LYS 85 HB1 LYS 85 0.049 -8.709 -9.017 650 1HG LYS 85 HG2 LYS 85 -0.761 -6.347 -9.125 651 2HG LYS 85 HG1 LYS 85 -0.363 -6.160 -7.420 652 1HD LYS 85 HD2 LYS 85 1.660 -7.035 -9.490 653 2HD LYS 85 HD1 LYS 85 1.405 -5.346 -9.063 654 1HE LYS 85 HE2 LYS 85 1.821 -6.057 -6.634 655 2HE LYS 85 HE1 LYS 85 2.416 -7.581 -7.294 656 1HZ LYS 85 HZ3 LYS 85 3.480 -5.240 -8.585 657 2HZ LYS 85 HZ2 LYS 85 3.902 -5.369 -6.945 658 3HZ LYS 85 HZ1 LYS 85 4.276 -6.629 -8.025 659 H VAL 86 HN VAL 86 -3.599 -6.775 -8.075 660 HA VAL 86 HA VAL 86 -4.117 -7.378 -10.968 661 HB VAL 86 HB VAL 86 -6.498 -6.732 -10.471 662 1HG1 VAL 86 HG13 VAL 86 -5.607 -9.122 -10.520 663 2HG1 VAL 86 HG12 VAL 86 -5.565 -9.046 -8.760 664 3HG1 VAL 86 HG11 VAL 86 -7.100 -8.882 -9.613 665 1HG2 VAL 86 HG21 VAL 86 -5.890 -5.487 -8.353 666 2HG2 VAL 86 HG23 VAL 86 -7.231 -6.619 -8.166 667 3HG2 VAL 86 HG22 VAL 86 -5.625 -7.051 -7.586 668 H GLY 87 HN GLY 87 -2.678 -5.096 -9.169 669 1HA GLY 87 HA2 GLY 87 -3.086 -3.036 -11.120 670 2HA GLY 87 HA1 GLY 87 -4.095 -2.694 -9.722 671 H GLU 88 HN GLU 88 -1.817 -1.188 -10.752 672 HA GLU 88 HA GLU 88 -0.470 -0.704 -8.245 673 1HB GLU 88 HB2 GLU 88 0.902 -2.572 -8.854 674 2HB GLU 88 HB1 GLU 88 1.060 -1.999 -10.505 675 1HG GLU 88 HG2 GLU 88 2.028 -0.321 -8.187 676 2HG GLU 88 HG1 GLU 88 3.039 -1.602 -8.852 677 H PHE 89 HN PHE 89 0.593 1.333 -8.275 678 HA PHE 89 HA PHE 89 1.105 2.700 -10.778 679 1HB PHE 89 HB2 PHE 89 -0.579 4.356 -10.787 680 2HB PHE 89 HB1 PHE 89 -1.426 2.837 -10.550 681 HD1 PHE 89 HD1 PHE 89 -0.061 5.808 -8.764 682 HD2 PHE 89 HD2 PHE 89 -2.781 2.489 -8.621 683 HE1 PHE 89 HE1 PHE 89 -1.110 6.753 -6.716 684 HE2 PHE 89 HE2 PHE 89 -3.820 3.428 -6.573 685 HZ PHE 89 HZ PHE 89 -2.994 5.565 -5.633 686 H SER 90 HN SER 90 2.019 4.866 -10.448 687 HA SER 90 HA SER 90 2.992 5.292 -7.634 688 1HB SER 90 HB2 SER 90 5.126 6.063 -8.584 689 2HB SER 90 HB1 SER 90 4.810 4.388 -9.047 690 HG SER 90 HG SER 90 4.805 6.730 -10.559 691 H GLY 91 HN GLY 91 3.593 7.497 -7.169 692 1HA GLY 91 HA2 GLY 91 3.652 9.849 -8.084 693 2HA GLY 91 HA1 GLY 91 2.102 9.501 -8.841 694 H ALA 92 HN ALA 92 2.928 11.471 -6.677 695 HA ALA 92 HA ALA 92 1.596 10.544 -4.259 696 1HB ALA 92 HB2 ALA 92 2.609 13.207 -5.237 697 2HB ALA 92 HB1 ALA 92 1.745 13.062 -3.710 698 3HB ALA 92 HB3 ALA 92 3.265 12.199 -3.955 699 H ASN 93 HN ASN 93 -0.357 9.889 -5.766 700 HA ASN 93 HA ASN 93 -2.301 12.178 -5.867 701 1HB ASN 93 HB2 ASN 93 -1.632 11.149 -8.108 702 2HB ASN 93 HB1 ASN 93 -2.410 9.667 -7.555 703 1HD2 ASN 93 HD22 ASN 93 -5.318 12.389 -7.295 704 2HD2 ASN 93 HD21 ASN 93 -4.079 12.220 -6.150 705 H LYS 94 HN LYS 94 -3.054 11.788 -3.757 706 HA LYS 94 HA LYS 94 -3.735 9.192 -2.724 707 1HB LYS 94 HB2 LYS 94 -5.001 10.541 -1.038 708 2HB LYS 94 HB1 LYS 94 -3.317 11.012 -1.216 709 1HG LYS 94 HG2 LYS 94 -4.993 12.512 -3.088 710 2HG LYS 94 HG1 LYS 94 -5.611 12.692 -1.452 711 1HD LYS 94 HD2 LYS 94 -3.246 13.286 -0.741 712 2HD LYS 94 HD1 LYS 94 -2.824 13.327 -2.457 713 1HE LYS 94 HE2 LYS 94 -5.072 14.943 -1.219 714 2HE LYS 94 HE1 LYS 94 -3.451 15.575 -1.525 715 1HZ LYS 94 HZ1 LYS 94 -4.066 14.462 -3.881 716 2HZ LYS 94 HZ3 LYS 94 -5.592 15.008 -3.378 717 3HZ LYS 94 HZ2 LYS 94 -4.301 16.105 -3.508 718 H GLU 95 HN GLU 95 -5.593 11.598 -4.550 719 HA GLU 95 HA GLU 95 -8.197 10.520 -4.070 720 1HB GLU 95 HB2 GLU 95 -7.106 11.958 -6.506 721 2HB GLU 95 HB1 GLU 95 -8.812 11.727 -6.134 722 1HG GLU 95 HG2 GLU 95 -6.861 13.165 -4.320 723 2HG GLU 95 HG1 GLU 95 -7.952 13.975 -5.443 724 H LYS 96 HN LYS 96 -5.631 9.674 -6.255 725 HA LYS 96 HA LYS 96 -7.039 8.056 -8.104 726 1HB LYS 96 HB2 LYS 96 -4.657 8.884 -8.191 727 2HB LYS 96 HB1 LYS 96 -4.234 7.610 -7.067 728 1HG LYS 96 HG2 LYS 96 -4.751 5.903 -8.613 729 2HG LYS 96 HG1 LYS 96 -5.656 7.002 -9.658 730 1HD LYS 96 HD2 LYS 96 -3.539 8.233 -10.148 731 2HD LYS 96 HD1 LYS 96 -2.656 7.059 -9.173 732 1HE LYS 96 HE2 LYS 96 -3.466 5.241 -10.669 733 2HE LYS 96 HE1 LYS 96 -4.279 6.449 -11.663 734 1HZ LYS 96 HZ1 LYS 96 -1.389 6.639 -11.084 735 2HZ LYS 96 HZ3 LYS 96 -1.964 5.685 -12.363 736 3HZ LYS 96 HZ2 LYS 96 -2.271 7.356 -12.348 737 H LEU 97 HN LEU 97 -5.754 7.370 -4.888 738 HA LEU 97 HA LEU 97 -6.053 4.536 -4.882 739 1HB LEU 97 HB2 LEU 97 -6.285 6.628 -2.705 740 2HB LEU 97 HB1 LEU 97 -6.438 4.917 -2.361 741 HG LEU 97 HG LEU 97 -4.035 6.165 -3.704 742 1HD1 LEU 97 HD11 LEU 97 -4.644 5.568 -0.809 743 2HD1 LEU 97 HD13 LEU 97 -2.986 5.651 -1.403 744 3HD1 LEU 97 HD12 LEU 97 -4.035 7.064 -1.515 745 1HD2 LEU 97 HD22 LEU 97 -4.775 3.382 -2.807 746 2HD2 LEU 97 HD21 LEU 97 -3.919 3.892 -4.260 747 3HD2 LEU 97 HD23 LEU 97 -3.094 3.879 -2.710 748 H GLU 98 HN GLU 98 -8.270 7.178 -4.235 749 HA GLU 98 HA GLU 98 -10.462 5.646 -3.239 750 1HB GLU 98 HB2 GLU 98 -10.287 8.130 -3.117 751 2HB GLU 98 HB1 GLU 98 -10.574 8.210 -4.852 752 1HG GLU 98 HG2 GLU 98 -12.768 7.063 -4.514 753 2HG GLU 98 HG1 GLU 98 -12.484 7.101 -2.772 754 H ALA 99 HN ALA 99 -9.677 6.621 -6.575 755 HA ALA 99 HA ALA 99 -12.052 5.439 -7.693 756 1HB ALA 99 HB3 ALA 99 -9.408 6.209 -8.951 757 2HB ALA 99 HB2 ALA 99 -10.811 5.673 -9.873 758 3HB ALA 99 HB1 ALA 99 -10.893 7.159 -8.923 759 H THR 100 HN THR 100 -8.701 4.213 -7.413 760 HA THR 100 HA THR 100 -9.213 1.819 -8.876 761 HB THR 100 HB THR 100 -7.219 2.157 -6.622 762 HG1 THR 100 HG1 THR 100 -5.842 2.869 -8.272 763 1HG2 THR 100 HG21 THR 100 -7.469 0.301 -8.997 764 2HG2 THR 100 HG23 THR 100 -5.954 0.529 -8.125 765 3HG2 THR 100 HG22 THR 100 -7.363 -0.128 -7.289 766 H ILE 101 HN ILE 101 -9.520 2.557 -5.414 767 HA ILE 101 HA ILE 101 -10.123 -0.113 -4.525 768 HB ILE 101 HB ILE 101 -10.977 2.606 -3.474 769 1HG1 ILE 101 HG12 ILE 101 -9.033 0.656 -2.220 770 2HG1 ILE 101 HG11 ILE 101 -8.498 1.786 -3.462 771 1HG2 ILE 101 HG22 ILE 101 -11.427 -0.176 -2.376 772 2HG2 ILE 101 HG21 ILE 101 -11.460 1.255 -1.346 773 3HG2 ILE 101 HG23 ILE 101 -12.626 1.085 -2.660 774 1HD1 ILE 101 HD11 ILE 101 -9.469 3.658 -2.064 775 2HD1 ILE 101 HD13 ILE 101 -9.756 2.473 -0.790 776 3HD1 ILE 101 HD12 ILE 101 -8.110 2.821 -1.315 777 H ASN 102 HN ASN 102 -12.230 2.593 -5.520 778 HA ASN 102 HA ASN 102 -14.697 1.176 -5.317 779 1HB ASN 102 HB2 ASN 102 -14.504 3.652 -5.654 780 2HB ASN 102 HB1 ASN 102 -13.974 3.351 -7.312 781 1HD2 ASN 102 HD22 ASN 102 -17.890 3.401 -6.544 782 2HD2 ASN 102 HD21 ASN 102 -16.712 4.006 -5.480 783 H GLU 103 HN GLU 103 -12.259 1.367 -7.828 784 HA GLU 103 HA GLU 103 -13.770 0.089 -9.894 785 1HB GLU 103 HB2 GLU 103 -11.603 1.419 -10.119 786 2HB GLU 103 HB1 GLU 103 -10.772 -0.016 -9.526 787 1HG GLU 103 HG2 GLU 103 -10.714 -0.149 -11.925 788 2HG GLU 103 HG1 GLU 103 -11.898 -1.334 -11.372 789 H LEU 104 HN LEU 104 -11.559 -1.193 -7.415 790 HA LEU 104 HA LEU 104 -12.088 -3.963 -8.381 791 1HB LEU 104 HB2 LEU 104 -10.128 -2.920 -6.325 792 2HB LEU 104 HB1 LEU 104 -10.226 -4.584 -6.889 793 HG LEU 104 HG LEU 104 -9.649 -2.183 -8.653 794 1HD1 LEU 104 HD11 LEU 104 -7.825 -2.690 -7.048 795 2HD1 LEU 104 HD13 LEU 104 -7.793 -4.351 -7.640 796 3HD1 LEU 104 HD12 LEU 104 -7.351 -3.026 -8.714 797 1HD2 LEU 104 HD21 LEU 104 -9.908 -5.154 -9.151 798 2HD2 LEU 104 HD23 LEU 104 -10.574 -3.815 -10.089 799 3HD2 LEU 104 HD22 LEU 104 -8.854 -4.179 -10.177 800 H VAL 105 HN VAL 105 -13.534 -1.894 -6.203 801 HA VAL 105 HA VAL 105 -13.783 -3.588 -3.890 802 HB VAL 105 HB VAL 105 -14.367 -1.107 -4.015 803 1HG1 VAL 105 HG13 VAL 105 -15.870 -1.575 -6.104 804 2HG1 VAL 105 HG12 VAL 105 -17.096 -2.005 -4.921 805 3HG1 VAL 105 HG11 VAL 105 -16.404 -0.383 -4.923 806 1HG2 VAL 105 HG22 VAL 105 -14.968 -2.646 -2.115 807 2HG2 VAL 105 HG21 VAL 105 -16.062 -1.277 -2.312 808 3HG2 VAL 105 HG23 VAL 105 -16.543 -2.877 -2.877 809 HA PRO 59 HA PRO 106 13.485 17.627 -13.762 810 1HB PRO 59 HB2 PRO 106 15.952 16.494 -13.133 811 2HB PRO 59 HB1 PRO 106 15.635 17.464 -14.587 812 1HG PRO 59 HG2 PRO 106 16.873 18.291 -11.997 813 2HG PRO 59 HG1 PRO 106 17.328 18.732 -13.655 814 1HD PRO 59 HD2 PRO 106 15.938 20.434 -12.080 815 2HD PRO 59 HD1 PRO 106 15.637 20.341 -13.832 816 H ALA 60 HN ALA 107 14.516 18.342 -10.488 817 HA ALA 60 HA ALA 107 13.908 15.609 -9.537 818 1HB ALA 60 HB3 ALA 107 15.759 16.962 -8.517 819 2HB ALA 60 HB2 ALA 107 14.550 18.108 -7.933 820 3HB ALA 60 HB1 ALA 107 14.552 16.448 -7.339 821 H THR 61 HN THR 108 11.847 15.027 -9.063 822 HA THR 61 HA THR 108 9.814 17.182 -8.576 823 HB THR 61 HB THR 108 9.326 14.282 -9.323 824 HG1 THR 61 HG1 THR 108 8.964 15.253 -11.427 825 1HG2 THR 61 HG22 THR 108 7.469 15.623 -8.280 826 2HG2 THR 61 HG21 THR 108 7.584 16.740 -9.633 827 3HG2 THR 61 HG23 THR 108 7.116 15.063 -9.912 828 H LEU 62 HN LEU 109 9.036 17.370 -6.551 829 HA LEU 62 HA LEU 109 9.840 15.614 -4.409 830 1HB LEU 62 HB2 LEU 109 7.782 17.824 -4.590 831 2HB LEU 62 HB1 LEU 109 8.152 16.981 -3.089 832 HG LEU 62 HG LEU 109 10.303 18.306 -4.757 833 1HD1 LEU 62 HD11 LEU 109 8.678 19.510 -2.494 834 2HD1 LEU 62 HD13 LEU 109 10.096 20.254 -3.237 835 3HD1 LEU 62 HD12 LEU 109 8.629 20.011 -4.184 836 1HD2 LEU 62 HD23 LEU 109 10.091 17.262 -1.919 837 2HD2 LEU 62 HD22 LEU 109 11.291 16.866 -3.148 838 3HD2 LEU 62 HD21 LEU 109 11.320 18.442 -2.367 839 H LYS 63 HN LYS 110 7.147 15.689 -6.574 840 HA LYS 63 HA LYS 110 5.213 14.272 -5.053 841 1HB LYS 63 HB2 LYS 110 5.711 14.121 -8.045 842 2HB LYS 63 HB1 LYS 110 4.216 13.698 -7.220 843 1HG LYS 63 HG2 LYS 110 5.474 16.457 -7.325 844 2HG LYS 63 HG1 LYS 110 4.029 15.942 -8.193 845 1HD LYS 63 HD2 LYS 110 3.096 15.362 -5.831 846 2HD LYS 63 HD1 LYS 110 4.391 16.396 -5.232 847 1HE LYS 63 HE2 LYS 110 3.568 18.268 -6.548 848 2HE LYS 63 HE1 LYS 110 2.325 17.251 -7.279 849 1HZ LYS 63 HZ1 LYS 110 2.452 17.405 -4.357 850 2HZ LYS 63 HZ3 LYS 110 1.815 18.737 -5.196 851 3HZ LYS 63 HZ2 LYS 110 1.105 17.205 -5.375 852 H ILE 64 HN ILE 111 8.216 13.265 -6.351 853 HA ILE 64 HA ILE 111 7.611 10.400 -5.671 854 HB ILE 64 HB ILE 111 9.051 11.474 -8.124 855 1HG1 ILE 64 HG12 ILE 111 6.609 11.380 -8.345 856 2HG1 ILE 64 HG11 ILE 111 7.365 10.158 -9.358 857 1HG2 ILE 64 HG23 ILE 111 8.900 8.655 -7.035 858 2HG2 ILE 64 HG22 ILE 111 9.351 9.034 -8.697 859 3HG2 ILE 64 HG21 ILE 111 10.352 9.603 -7.363 860 1HD1 ILE 64 HD11 ILE 111 6.984 8.664 -7.137 861 2HD1 ILE 64 HD13 ILE 111 5.678 9.824 -6.930 862 3HD1 ILE 64 HD12 ILE 111 5.752 8.841 -8.382 863 H CYS 65 HN CYS 112 9.379 9.355 -4.592 864 HA CYS 65 HA CYS 112 11.732 11.099 -3.968 865 1HB CYS 65 HB2 CYS 112 11.108 8.478 -2.587 866 2HB CYS 65 HB1 CYS 112 12.117 9.793 -2.012 867 H SER 66 HN SER 113 13.667 10.577 -4.957 868 HA SER 66 HA SER 113 13.737 8.301 -6.783 869 1HB SER 66 HB2 SER 113 15.914 10.251 -5.979 870 2HB SER 66 HB1 SER 113 16.030 9.085 -7.293 871 HG SER 66 HG SER 113 14.764 10.294 -8.475 872 H TRP 67 HN TRP 114 14.842 6.395 -6.573 873 HA TRP 67 HA TRP 114 15.634 5.504 -3.923 874 1HB TRP 67 HB2 TRP 114 15.802 4.201 -6.654 875 2HB TRP 67 HB1 TRP 114 16.330 3.405 -5.166 876 HD1 TRP 67 HD1 TRP 114 13.203 5.427 -6.213 877 HE1 TRP 67 HE1 TRP 114 11.126 4.235 -5.279 878 HE3 TRP 67 HE3 TRP 114 15.411 1.441 -3.924 879 HZ2 TRP 67 HZ2 TRP 114 10.506 1.926 -3.737 880 HZ3 TRP 67 HZ3 TRP 114 14.053 -0.238 -2.733 881 HH2 TRP 67 HH2 TRP 114 11.594 -0.002 -2.649 882 H ASN 68 HN ASN 115 17.133 7.299 -6.293 883 HA ASN 68 HA ASN 115 19.790 6.421 -6.399 884 1HB ASN 68 HB2 ASN 115 18.680 9.242 -6.206 885 2HB ASN 68 HB1 ASN 115 20.373 8.884 -6.560 886 1HD2 ASN 68 HD22 ASN 115 18.317 7.008 -9.451 887 2HD2 ASN 68 HD21 ASN 115 18.413 6.426 -7.860 888 H VAL 69 HN VAL 116 17.991 7.263 -3.648 889 HA VAL 69 HA VAL 116 19.626 8.579 -1.865 890 HB VAL 69 HB VAL 116 18.321 5.964 -1.084 891 1HG1 VAL 69 HG12 VAL 116 18.689 8.633 0.304 892 2HG1 VAL 69 HG11 VAL 116 17.832 7.251 0.986 893 3HG1 VAL 69 HG13 VAL 116 19.561 7.144 0.658 894 1HG2 VAL 69 HG23 VAL 116 17.037 8.552 -1.955 895 2HG2 VAL 69 HG22 VAL 116 16.563 6.894 -2.324 896 3HG2 VAL 69 HG21 VAL 116 16.259 7.557 -0.723 897 H ASP 70 HN ASP 117 21.309 7.931 -0.377 898 HA ASP 70 HA ASP 117 23.374 6.314 -1.487 899 1HB ASP 70 HB2 ASP 117 22.863 7.226 1.359 900 2HB ASP 70 HB1 ASP 117 24.335 6.393 0.859 901 H GLY 71 HN GLY 118 20.854 5.594 0.905 902 1HA GLY 71 HA2 GLY 118 20.173 3.552 1.839 903 2HA GLY 71 HA1 GLY 118 20.554 2.886 0.252 No H/Q in entry = 903
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